A0A077ZBV8_TRITR Loading...

Nuclear pore complex protein Nup88

AlphaFold DB , UniProt , Accession A0A077ZBV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 653 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28	Very low	26.2	Very low	248 Å²	248	160.3 Å²	160.3	100%	1.222	87%	0.872	S	S	*	*				0	112.6	0	-74	-170.6	-173.5	0	0	107.2
2	D	30.6	Very low	26.2	Very low	162 Å²	162	157.1 Å²	157.1	87%	0.866	85%	0.854	S	S	*	*			trans	-54.5	141.5	-176.7	-65.8	-67.5	0	0	0	113.7
3	V	26.6	Very low	26.3	Very low	135 Å²	135	149.6 Å²	149.6	82%	0.818	83%	0.827	S	S	*	*				-160.4	121.9	127.6	170.5	0	0	0	0	109.4	L5	V3-L5 HydrophobicContact CG1-CD1 4.4Å
4	K	29.6	Very low	26.7	Very low	198 Å²	198	151.9 Å²	151.9	86%	0.861	83%	0.828	S	S	*	*			trans	-69.4	143.8	162.5	-76.5	171.4	172.8	169	0	110.7
5	L	24.5	Very low	27.1	Very low	176 Å²	176	148.4 Å²	148.4	92%	0.921	80%	0.802	S	S	*	*			trans	173	135.9	148.9	-92.4	145.9	0	0	0	106.7	V3	V3-L5 HydrophobicContact CG1-CD1 4.4Å
6	G	24.2	Very low	27.7	Very low	69 Å²	69	147.8 Å²	147.8	71%	0.711	79%	0.789	S	S	*	*			cis	179.1	146.1	6.9	0	0	0	0	0	107.6
7	K	24.8	Very low	28.3	Very low	219 Å²	219	140.7 Å²	140.7	95%	0.952	75%	0.753	S	S	*	*			trans	-60.7	133.7	178.5	-70.6	167	170.7	174.1	0	112.1
8	A	23.5	Very low	28.7	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	74%	0.74	S	S	*	*			trans	-165.2	70.5	149.5	0	0	0	0	0	113
9	S	23.7	Very low	29.4	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	71%	0.707	S	S	*	*			trans	-93.7	91.4	161	58.7	0	0	0	0	109.8
10	R	25.3	Very low	29.9	Very low	241 Å²	241	132.7 Å²	132.7	91%	0.909	70%	0.7	S	S	*	*			trans	-101	91	161.8	-86	-175.5	173.5	174.2	-1.2	109.2
11	S	27.9	Very low	31.1	Very low	94 Å²	94	130.7 Å²	130.7	66%	0.657	69%	0.686	S	S	*	*			trans	-71.2	128.1	162.3	49.9	0	0	0	0	109.5	A13	S11-A13 VanDerWaalsContact C-N 3.3Å; S11-A13 PolarHBondContact O-N 3.44Å
12	N	26.2	Very low	32.3	Very low	122 Å²	122	119.1 Å²	119.1	65%	0.652	63%	0.629	S	S	*	*			trans	-62.5	96.6	158.8	-89.6	-13.6	0	0	0	106.9
13	A	26.7	Very low	34.6	Very low	60 Å²	60	114 Å²	114	50%	0.496	60%	0.6	S	S	.	*			trans	-83	113.2	174.5	0	0	0	0	0	108.7	S11 K15	S11-A13 VanDerWaalsContact C-N 3.3Å; S11-A13 PolarHBondContact O-N 3.44Å; A13-K15 VanDerWaalsContact C-N 3.29Å; A13-K15 HydrophobicContact CB-CG 4.01Å; A13-K15 PolarHBondContact O-N 2.91Å
14	E	31.7	Very low	37.6	Very low	181 Å²	181	108.4 Å²	108.4	85%	0.846	57%	0.565	S	S	*	*			trans	-57.6	100.5	146.4	-74.5	177.3	163.5	0	0	106.5	K16	E14-K16 PolarHBondContact O-N 3.21Å; E14-K16 VanDerWaalsContact O-N 3.09Å
15	K	32.8	Very low	40.4	Very low	100 Å²	100	99.3 Å²	99.3	44%	0.435	53%	0.526	S	S	.	.			trans	-77.4	99.6	-176.7	-72.6	-173.5	-177.8	-179.6	0	109.2	A13 V17 T53 G54	A13-K15 VanDerWaalsContact C-N 3.29Å; A13-K15 HydrophobicContact CB-CG 4.01Å; A13-K15 PolarHBondContact O-N 2.91Å; K15-V17 PolarHBondContact O-N 3.34Å; K15-T53 WeakPolarHBondContact CD-O 3.28Å; K15-T53 PolarHBondContact NZ-O 3.08Å; K15-G54 PolarHBondContact NZ-O 2.87Å
16	K	36.5	Very low	43.5	Very low	138 Å²	138	91.6 Å²	91.6	60%	0.6	49%	0.487	S	S	*	.			trans	-61.5	118.2	166.6	-79	-176.2	173.6	-172.2	0	109.3	E14 H18	E14-K16 PolarHBondContact O-N 3.21Å; E14-K16 VanDerWaalsContact O-N 3.09Å; K16-H18 PolarHBondContact O-N 2.99Å
17	V	38.8	Very low	46.5	Very low	28 Å²	28	89.6 Å²	89.6	17%	0.17	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-80.9	113	168.1	-177.3	0	0	0	0	107.6	K15 F19 P60 L427	K15-V17 PolarHBondContact O-N 3.34Å; V17-F19 HydrophobicContact CG1-CD2 3.72Å; V17-F19 HydrophobicContact CG1-CE2 3.55Å; V17-F19 PolarHBondContact O-N 3.32Å; V17-P60 HydrophobicContact CG1-CG 3.95Å; V17-L427 HydrophobicContact CB-CD2 4.48Å
18	H	34.9	Very low	49.3	Very low	114 Å²	114	81.8 Å²	81.8	53%	0.528	43%	0.431	S	S	.	.			trans	-77.1	81.6	-177.3	-83.4	-44.5	0	0	0	112.5	K16 H20	K16-H18 PolarHBondContact O-N 2.99Å; H18-H20 VanDerWaalsContact C-N 3.3Å; H18-H20 AromaticContact ND1-CE1 3.75Å; H18-H20 AromaticContact ND1-NE2 3.86Å; H18-H20 PolarHBondContact O-N 3.36Å
19	F	42.9	Very low	52	Low	27 Å²	27	80.1 Å²	80.1	12%	0.118	41%	0.413	C	S	.	.			trans	-85.1	75.1	158.2	-78.2	-79.7	0	0	0	109.4	V17 K21 T45 P60 H62 L427	V17-F19 HydrophobicContact CG1-CD2 3.72Å; V17-F19 HydrophobicContact CG1-CE2 3.55Å; V17-F19 PolarHBondContact O-N 3.32Å; F19-K21 PolarHBondContact O-N 2.93Å; F19-T45 HydrophobicContact CE2-CG2 4.44Å; F19-T45 HydrophobicContact CZ-CG2 3.81Å; F19-P60 HydrophobicContact CE2-CG 4.31Å; F19-P60 HydrophobicContact CZ-CG 4.14Å; F19-H62 HydrophobicContact CE1-CB 4.47Å; F19-L427 HydrophobicContact CD2-CD2 4.19Å
20	H	39.1	Very low	54.6	Low	120 Å²	120	76.5 Å²	76.5	56%	0.556	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	112.5	178.3	-84	-46.8	0	0	0	111	H18 K36	H18-H20 VanDerWaalsContact C-N 3.3Å; H18-H20 AromaticContact ND1-CE1 3.75Å; H18-H20 AromaticContact ND1-NE2 3.86Å; H18-H20 PolarHBondContact O-N 3.36Å; H20-K36 PolarHBondContact O-NZ 2.88Å
21	K	54.5	Low	57.4	Low	92 Å²	92	65.3 Å²	65.3	40%	0.4	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	32.1	162.8	-43.9	162.7	-178.2	-176.7	0	117.3	F19 K36 Y39 K425	F19-K21 PolarHBondContact O-N 2.93Å; K21-K36 WeakPolarHBondContact O-CE 3.45Å; K21-K36 VanDerWaalsContact O-CG 3.28Å; K21-K36 WeakPolarHBondContact O-CG 3.47Å; K21-Y39 HydrophobicContact CD-CE2 4.14Å; K21-Y39 PolarHBondContact NZ-OH 3.46Å; K21-K425 HydrophobicContact CB-CD 4.2Å; K21-K425 HydrophobicContact CG-CD 4.5Å
22	C	53.4	Low	60.2	Low	5 Å²	5	60.9 Å²	60.9	3%	0.034	31%	0.31	C	S	.	.			trans	-81.5	153.2	168.2	-64.3	0	0	0	0	111.4	C34 L421	C22-C34 HydrophobicContact CB-CB 4.24Å; C22-L421 HydrophobicContact CB-CD1 4.4Å; C22-L421 HydrophobicContact CB-CD2 4.45Å; C22-L421 WeakPolarHBondContact O-CD2 3.27Å
23	E	80	Confident	63.2	Low	53 Å²	53	55 Å²	55	25%	0.248	28%	0.279	C	S	.	.			trans	-118.2	-31.9	-176.4	-68.3	-175.9	-161.4	0	0	113.2	W35 Q37 L421	E23-W35 PolarHBondContact N-O 3.04Å; E23-Q37 HydrophobicContact CG-CB 4.41Å; E23-Q37 WeakPolarHBondContact OE2-CB 3.46Å; E23-L421 VanDerWaalsContact C-CD2 3.41Å; E23-L421 WeakPolarHBondContact O-CD2 3.26Å
24	L	87.9	Confident	66.2	Low	18 Å²	18	52.2 Å²	52.2	9%	0.094	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.5	174.2	-64.7	168.4	0	0	0	110.1	C34 W35 V75	L24-C34 WeakPolarHBondContact O-CA 3.32Å; L24-W35 HydrophobicContact CB-CB 4.23Å; L24-W35 PolarHBondContact N-O 3.28Å; L24-W35 PolarHBondContact O-N 2.91Å; L24-V75 HydrophobicContact CD1-CB 4.21Å; L24-V75 HydrophobicContact CD1-CG1 3.74Å; L24-V75 WeakPolarHBondContact CD1-O 3.47Å
25	I	89.5	Confident	69	Low	8 Å²	8	43.6 Å²	43.6	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.3	172.8	57.6	169.2	0	0	0	110.3	L32 F33 S405 A407 I419 L421	I25-L32 HydrophobicContact CB-CD1 4.09Å; I25-L32 HydrophobicContact CG2-CD1 4.43Å; I25-F33 VanDerWaalsContact CA-O 3.3Å; I25-F33 WeakPolarHBondContact CA-O 3.41Å; I25-S405 VanDerWaalsContact CG1-OG 3.22Å; I25-S405 WeakPolarHBondContact CG1-OG 3.37Å; I25-S405 PolarHBondContact N-OG 3.47Å; I25-S405 PolarHBondContact O-OG 2.95Å; I25-A407 HydrophobicContact CD1-CB 3.97Å; I25-A407 HydrophobicContact CG1-CB 4.23Å; I25-I419 HydrophobicContact CD1-CB 4.14Å; I25-I419 HydrophobicContact CD1-CG2 3.66Å; I25-L421 HydrophobicContact CD1-CB 4.1Å; I25-L421 HydrophobicContact CG1-CB 4.27Å; I25-L421 HydrophobicContact CG2-CB 4.36Å; I25-L421 HydrophobicContact CG2-CD2 4.28Å
26	A	89.1	Confident	71.7	Confident	13 Å²	13	39.9 Å²	39.9	11%	0.107	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.1	169.5	0	0	0	0	0	107.5	F33 M78 I80	A26-F33 PolarHBondContact N-O 3.23Å; A26-F33 PolarHBondContact O-N 2.91Å; A26-M78 HydrophobicContact CB-CE 3.51Å; A26-M78 HydrophobicContact CB-CG 4.07Å; A26-I80 HydrophobicContact CB-CD1 3.72Å; A26-I80 HydrophobicContact CB-CG1 4.1Å
27	A	86.6	Confident	74	Confident	27 Å²	27	34.6 Å²	34.6	22%	0.223	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.9	-179.9	0	0	0	0	0	111.3	L31 L32 A407 I409	A27-L31 VanDerWaalsContact CA-O 3.26Å; A27-L31 WeakPolarHBondContact CA-O 3.44Å; A27-L32 HydrophobicContact CB-CD1 4.29Å; A27-A407 HydrophobicContact CB-CB 3.75Å; A27-I409 HydrophobicContact CB-CD1 3.81Å; A27-I409 HydrophobicContact CB-CG1 3.39Å
28	H	84.7	Confident	76.1	Confident	56 Å²	56	37.6 Å²	37.6	26%	0.259	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	125.6	172.8	-174.6	-64.9	0	0	0	108.1	Q30 L31 I80 P82	H28-Q30 PolarHBondContact O-N 2.91Å; H28-Q30 VanDerWaalsContact O-N 3.14Å; H28-L31 PolarHBondContact N-O 3.14Å; H28-L31 PolarHBondContact O-N 3.47Å; H28-I80 HydrophobicContact CB-CD1 3.96Å; H28-I80 HydrophobicContact CB-CG2 4.07Å; H28-P82 PolarHBondContact NE2-O 3.49Å
29	S	79.7	Confident	78.4	Confident	68 Å²	68	37 Å²	37	48%	0.476	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-120.4	-173.1	-174.4	0	0	0	0	110.4	I409	S29-I409 WeakPolarHBondContact O-CG2 3.47Å
30	Q	78.8	Confident	80.5	Confident	41 Å²	41	37.9 Å²	37.9	19%	0.192	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	5.1	177.7	-63.4	-168.8	-14.2	0	0	115	H28 R46 I47	H28-Q30 PolarHBondContact O-N 2.91Å; H28-Q30 VanDerWaalsContact O-N 3.14Å; Q30-R46 HydrophobicContact CB-CG 4.34Å; Q30-I47 PolarHBondContact O-N 2.74Å
31	L	83.5	Confident	82.8	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.1	-179.7	-63.4	-179.8	0	0	0	110.7	A27 H28 F33 V44 R46 P105 F109	A27-L31 VanDerWaalsContact CA-O 3.26Å; A27-L31 WeakPolarHBondContact CA-O 3.44Å; H28-L31 PolarHBondContact N-O 3.14Å; H28-L31 PolarHBondContact O-N 3.47Å; L31-F33 HydrophobicContact CB-CD2 4.38Å; L31-F33 HydrophobicContact CB-CE2 3.74Å; L31-F33 HydrophobicContact CB-CZ 4.31Å; L31-F33 HydrophobicContact CD1-CE2 4.17Å; L31-F33 HydrophobicContact CD1-CZ 4.02Å; L31-V44 HydrophobicContact CB-CG2 4.44Å; L31-V44 HydrophobicContact CD2-CG2 4.31Å; L31-R46 HydrophobicContact CD2-CB 4.27Å; L31-R46 HydrophobicContact CD2-CG 4.4Å; L31-P105 HydrophobicContact CD1-CB 3.48Å; L31-P105 VanDerWaalsContact CD1-CB 3.48Å; L31-P105 HydrophobicContact CG-CB 4.25Å; L31-F109 HydrophobicContact CD1-CD2 3.64Å; L31-F109 HydrophobicContact CD1-CE2 3.51Å; L31-F109 HydrophobicContact CD2-CB 4.35Å; L31-F109 HydrophobicContact CD2-CD2 3.67Å; L31-F109 HydrophobicContact CD2-CE2 4.29Å; L31-F109 HydrophobicContact CD2-CG 4.12Å; L31-F109 HydrophobicContact CG-CD2 4.32Å
32	L	86.9	Confident	84.5	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119	169.5	179.1	69.7	0	0	0	108.8	I25 A27 V44 T45 I47 I419 L427	I25-L32 HydrophobicContact CB-CD1 4.09Å; I25-L32 HydrophobicContact CG2-CD1 4.43Å; A27-L32 HydrophobicContact CB-CD1 4.29Å; L32-V44 WeakPolarHBondContact O-CA 3.24Å; L32-T45 HydrophobicContact CB-CG2 3.97Å; L32-T45 HydrophobicContact CD2-CG2 4.28Å; L32-T45 PolarHBondContact N-O 3.25Å; L32-T45 PolarHBondContact O-N 2.84Å; L32-I47 HydrophobicContact CB-CD1 3.63Å; L32-I47 HydrophobicContact CB-CG1 4.09Å; L32-I47 HydrophobicContact CD2-CD1 3.81Å; L32-I47 HydrophobicContact CG-CD1 4.24Å; L32-I419 HydrophobicContact CD1-CD1 3.95Å; L32-I419 HydrophobicContact CD1-CG2 4.47Å; L32-I419 HydrophobicContact CD2-CD1 4.33Å; L32-I419 HydrophobicContact CD2-CG2 4.47Å; L32-L427 HydrophobicContact CD2-CD1 4.41Å
33	F	89.7	Confident	86.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.3	171.9	-63.5	-94.1	0	0	0	109	I25 A26 L31 L42 Y43 V44 I65 M78 I80 L87 L100	I25-F33 VanDerWaalsContact CA-O 3.3Å; I25-F33 WeakPolarHBondContact CA-O 3.41Å; A26-F33 PolarHBondContact N-O 3.23Å; A26-F33 PolarHBondContact O-N 2.91Å; L31-F33 HydrophobicContact CB-CD2 4.38Å; L31-F33 HydrophobicContact CB-CE2 3.74Å; L31-F33 HydrophobicContact CB-CZ 4.31Å; L31-F33 HydrophobicContact CD1-CE2 4.17Å; L31-F33 HydrophobicContact CD1-CZ 4.02Å; F33-L42 HydrophobicContact CB-CD1 4.37Å; F33-Y43 CarbonylContact C-O 3.55Å; F33-Y43 WeakPolarHBondContact CA-O 3.45Å; F33-V44 HydrophobicContact CD1-CB 4Å; F33-V44 HydrophobicContact CD1-CG2 3.9Å; F33-V44 HydrophobicContact CE1-CB 4.06Å; F33-V44 HydrophobicContact CE1-CG2 3.67Å; F33-V44 HydrophobicContact CE2-CG2 4.43Å; F33-V44 HydrophobicContact CG-CG2 4.38Å; F33-V44 HydrophobicContact CZ-CG2 3.97Å; F33-I65 HydrophobicContact CD1-CD1 4.22Å; F33-I65 HydrophobicContact CE1-CD1 3.98Å; F33-M78 HydrophobicContact CB-CE 4.06Å; F33-M78 HydrophobicContact CB-SD 4.44Å; F33-M78 WeakPolarHBondContact O-CE 3.48Å; F33-I80 HydrophobicContact CD2-CD1 3.35Å; F33-I80 HydrophobicContact CD2-CG1 4.31Å; F33-I80 HydrophobicContact CE2-CD1 3.72Å; F33-I80 HydrophobicContact CG-CD1 4.17Å; F33-L87 HydrophobicContact CB-CD1 3.97Å; F33-L87 HydrophobicContact CD1-CD1 3.58Å; F33-L87 HydrophobicContact CD2-CD1 4.45Å; F33-L87 HydrophobicContact CE1-CD1 4.16Å; F33-L87 HydrophobicContact CG-CD1 3.74Å; F33-L100 HydrophobicContact CE1-CD1 3.97Å; F33-L100 HydrophobicContact CE1-CD2 3.86Å; F33-L100 HydrophobicContact CZ-CD1 3.72Å; F33-L100 HydrophobicContact CZ-CD2 4.4Å
34	C	89.9	Confident	86.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118	-178.4	-64.7	0	0	0	0	109.2	C22 L24 Y43	C22-C34 HydrophobicContact CB-CB 4.24Å; L24-C34 WeakPolarHBondContact O-CA 3.32Å; C34-Y43 PolarHBondContact N-O 2.92Å; C34-Y43 PolarHBondContact O-N 2.98Å
35	W	90.9	Very high	86.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.4	173.3	175.6	-107.3	0	0	0	110.9	E23 L24 C40 R41 L42 F67 V70 V75 M78 L89	E23-W35 PolarHBondContact N-O 3.04Å; L24-W35 HydrophobicContact CB-CB 4.23Å; L24-W35 PolarHBondContact N-O 3.28Å; L24-W35 PolarHBondContact O-N 2.91Å; W35-C40 VanDerWaalsContact CH2-CA 3.49Å; W35-C40 HydrophobicContact CH2-CB 3.95Å; W35-C40 HydrophobicContact CZ2-CB 4.17Å; W35-R41 VanDerWaalsContact CE3-C 3.47Å; W35-L42 HydrophobicContact CE3-CB 4.05Å; W35-L42 HydrophobicContact CE3-CD1 4.48Å; W35-L42 HydrophobicContact CZ3-CB 4.3Å; W35-F67 HydrophobicContact CH2-CZ 4.45Å; W35-F67 HydrophobicContact CZ3-CE1 4.38Å; W35-F67 AromaticContact CZ3-CZ 3.91Å; W35-F67 HydrophobicContact CZ3-CZ 3.91Å; W35-V70 HydrophobicContact CH2-CG1 3.85Å; W35-V75 HydrophobicContact CD2-CG2 4.4Å; W35-V75 HydrophobicContact CZ2-CG2 3.67Å; W35-M78 HydrophobicContact CB-CE 4.47Å; W35-M78 HydrophobicContact CB-SD 3.98Å; W35-L89 HydrophobicContact CB-CD2 4.49Å; W35-L89 HydrophobicContact CD2-CD1 4.42Å; W35-L89 HydrophobicContact CD2-CD2 4.22Å; W35-L89 HydrophobicContact CE3-CD1 3.78Å; W35-L89 HydrophobicContact CE3-CD2 4.15Å; W35-L89 HydrophobicContact CG-CD2 4.38Å; W35-L89 HydrophobicContact CH2-CD1 4.1Å; W35-L89 HydrophobicContact CZ3-CD1 3.62Å
36	K	87.7	Confident	85.5	Confident	22 Å²	22	34.2 Å²	34.2	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	96.2	-177.9	-179.6	169.7	-151.2	-178.7	0	109.6	H20 K21 T38 Y39 C40 R41 Y43	H20-K36 PolarHBondContact O-NZ 2.88Å; K21-K36 WeakPolarHBondContact O-CE 3.45Å; K21-K36 VanDerWaalsContact O-CG 3.28Å; K21-K36 WeakPolarHBondContact O-CG 3.47Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.32Å; K36-Y39 HydrophobicContact CD-CD2 3.36Å; K36-Y39 HydrophobicContact CD-CE2 3.97Å; K36-Y39 HydrophobicContact CD-CG 4.19Å; K36-Y39 HydrophobicContact CG-CD2 3.63Å; K36-Y39 HydrophobicContact CG-CE2 4.48Å; K36-Y39 HydrophobicContact CG-CG 4.44Å; K36-Y39 PolarHBondContact O-N 3.01Å; K36-C40 WeakPolarHBondContact O-CA 3.37Å; K36-C40 PolarHBondContact O-N 3.18Å; K36-R41 PolarHBondContact N-O 2.95Å; K36-R41 PolarHBondContact O-N 2.85Å; K36-R41 VanDerWaalsContact O-N 3.16Å; K36-Y43 HydrophobicContact CB-CD2 4.35Å; K36-Y43 HydrophobicContact CB-CE2 3.92Å; K36-Y43 HydrophobicContact CD-CE2 3.84Å
37	Q	85	Confident	84.8	Confident	26 Å²	26	34.2 Å²	34.2	12%	0.121	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.9	-42.8	-175.5	-169	62.3	40.3	0	0	112.6	E23 Y39 C40 R73	E23-Q37 HydrophobicContact CG-CB 4.41Å; E23-Q37 WeakPolarHBondContact OE2-CB 3.46Å; Q37-Y39 PolarHBondContact O-N 3.36Å; Q37-C40 PolarHBondContact O-N 3.45Å; Q37-C40 PolarHBondContact O-SG 2.93Å; Q37-C40 VanDerWaalsContact O-SG 3.37Å; Q37-R73 PolarHBondContact NE2-O 3.2Å
38	T	82.6	Confident	83.9	Confident	91 Å²	91	34.8 Å²	34.8	56%	0.558	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-58	-21.5	-177.5	4.4	0	0	0	0	114	K36	K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.32Å
39	Y	84.1	Confident	82.1	Confident	103 Å²	103	37.9 Å²	37.9	40%	0.404	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-122.2	5.4	178.7	-60.2	-90.4	0	0	0	112.3	K21 K36 Q37 R41	K21-Y39 HydrophobicContact CD-CE2 4.14Å; K21-Y39 PolarHBondContact NZ-OH 3.46Å; K36-Y39 HydrophobicContact CD-CD2 3.36Å; K36-Y39 HydrophobicContact CD-CE2 3.97Å; K36-Y39 HydrophobicContact CD-CG 4.19Å; K36-Y39 HydrophobicContact CG-CD2 3.63Å; K36-Y39 HydrophobicContact CG-CE2 4.48Å; K36-Y39 HydrophobicContact CG-CG 4.44Å; K36-Y39 PolarHBondContact O-N 3.01Å; Q37-Y39 PolarHBondContact O-N 3.36Å; Y39-R41 VanDerWaalsContact C-N 3.25Å; Y39-R41 VanDerWaalsContact O-CG 3.29Å; Y39-R41 WeakPolarHBondContact O-CG 3.26Å; Y39-R41 PolarHBondContact O-N 3.32Å
40	C	86.9	Confident	80.4	Confident	45 Å²	45	37.2 Å²	37.2	30%	0.304	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	40.3	52.2	-170.2	-56.5	0	0	0	0	112.8	W35 K36 Q37 V70	W35-C40 VanDerWaalsContact CH2-CA 3.49Å; W35-C40 HydrophobicContact CH2-CB 3.95Å; W35-C40 HydrophobicContact CZ2-CB 4.17Å; K36-C40 WeakPolarHBondContact O-CA 3.37Å; K36-C40 PolarHBondContact O-N 3.18Å; Q37-C40 PolarHBondContact O-N 3.45Å; Q37-C40 PolarHBondContact O-SG 2.93Å; Q37-C40 VanDerWaalsContact O-SG 3.37Å; C40-V70 HydrophobicContact CB-CG1 3.55Å; C40-V70 WeakPolarHBondContact O-CG1 3.35Å
41	R	88.5	Confident	78.9	Confident	95 Å²	95	40.5 Å²	40.5	36%	0.358	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.1	-174.1	-82.4	167.6	-169	175.1	7.8	112.1	W35 K36 Y39 Y43 R64	W35-R41 VanDerWaalsContact CE3-C 3.47Å; K36-R41 PolarHBondContact N-O 2.95Å; K36-R41 PolarHBondContact O-N 2.85Å; K36-R41 VanDerWaalsContact O-N 3.16Å; Y39-R41 VanDerWaalsContact C-N 3.25Å; Y39-R41 VanDerWaalsContact O-CG 3.29Å; Y39-R41 WeakPolarHBondContact O-CG 3.26Å; Y39-R41 PolarHBondContact O-N 3.32Å; R41-Y43 HydrophobicContact CB-CD2 4.43Å; R41-Y43 HydrophobicContact CB-CE2 3.61Å; R41-Y43 VanDerWaalsContact CD-OH 3.31Å; R41-Y43 WeakPolarHBondContact CD-OH 3.36Å; R41-R64 VanDerWaalsContact CZ-NH1 3.31Å
42	L	90.2	Very high	77.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.5	171.8	-175	64.8	0	0	0	109.8	F33 W35 I65 F67 M78 L87	F33-L42 HydrophobicContact CB-CD1 4.37Å; W35-L42 HydrophobicContact CE3-CB 4.05Å; W35-L42 HydrophobicContact CE3-CD1 4.48Å; W35-L42 HydrophobicContact CZ3-CB 4.3Å; L42-I65 HydrophobicContact CB-CB 4.26Å; L42-I65 HydrophobicContact CD2-CB 4.13Å; L42-I65 HydrophobicContact CD2-CD1 3.78Å; L42-I65 HydrophobicContact CD2-CG2 4.26Å; L42-I65 HydrophobicContact CG-CB 4.3Å; L42-I65 HydrophobicContact CG-CD1 4.15Å; L42-I65 PolarHBondContact O-N 3.38Å; L42-F67 HydrophobicContact CB-CE1 3.87Å; L42-F67 HydrophobicContact CD2-CE1 4.45Å; L42-M78 HydrophobicContact CD1-SD 3.89Å; L42-L87 HydrophobicContact CD1-CD1 4.33Å; L42-L87 HydrophobicContact CD2-CD1 4.1Å; L42-L87 HydrophobicContact CD2-CD2 4.07Å
43	Y	87.2	Confident	74.8	Confident	34 Å²	34	46.1 Å²	46.1	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.9	174.9	-59.2	-88.2	0	0	0	109.5	F33 C34 K36 R41 H62 A63 R64	F33-Y43 CarbonylContact C-O 3.55Å; F33-Y43 WeakPolarHBondContact CA-O 3.45Å; C34-Y43 PolarHBondContact N-O 2.92Å; C34-Y43 PolarHBondContact O-N 2.98Å; K36-Y43 HydrophobicContact CB-CD2 4.35Å; K36-Y43 HydrophobicContact CB-CE2 3.92Å; K36-Y43 HydrophobicContact CD-CE2 3.84Å; R41-Y43 HydrophobicContact CB-CD2 4.43Å; R41-Y43 HydrophobicContact CB-CE2 3.61Å; R41-Y43 VanDerWaalsContact CD-OH 3.31Å; R41-Y43 WeakPolarHBondContact CD-OH 3.36Å; Y43-H62 AromaticContact CD1-CD2 3.86Å; Y43-A63 WeakPolarHBondContact CA-O 3.42Å; Y43-R64 HydrophobicContact CD1-CB 4.23Å; Y43-R64 HydrophobicContact CD1-CG 4.4Å; Y43-R64 HydrophobicContact CE1-CB 4.17Å; Y43-R64 HydrophobicContact CE1-CG 4.1Å
44	V	86.4	Confident	72.3	Confident	1 Å²	1	48 Å²	48	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139	175.1	62.6	0	0	0	0	109.5	L31 L32 F33 H62 A63 I65 F109	L31-V44 HydrophobicContact CB-CG2 4.44Å; L31-V44 HydrophobicContact CD2-CG2 4.31Å; L32-V44 WeakPolarHBondContact O-CA 3.24Å; F33-V44 HydrophobicContact CD1-CB 4Å; F33-V44 HydrophobicContact CD1-CG2 3.9Å; F33-V44 HydrophobicContact CE1-CB 4.06Å; F33-V44 HydrophobicContact CE1-CG2 3.67Å; F33-V44 HydrophobicContact CE2-CG2 4.43Å; F33-V44 HydrophobicContact CG-CG2 4.38Å; F33-V44 HydrophobicContact CZ-CG2 3.97Å; V44-H62 CarbonylContact O-C 3.58Å; V44-H62 VanDerWaalsContact O-CA 3.31Å; V44-H62 WeakPolarHBondContact O-CA 3.46Å; V44-A63 HydrophobicContact CG1-CB 3.78Å; V44-A63 PolarHBondContact N-O 3.47Å; V44-A63 PolarHBondContact O-N 2.88Å; V44-I65 HydrophobicContact CB-CD1 4.1Å; V44-I65 HydrophobicContact CG1-CD1 3.91Å; V44-I65 HydrophobicContact CG1-CG1 3.98Å; V44-F109 HydrophobicContact CB-CE1 4.33Å; V44-F109 HydrophobicContact CG1-CD1 3.82Å; V44-F109 HydrophobicContact CG1-CE1 3.34Å; V44-F109 HydrophobicContact CG1-CZ 4.06Å; V44-F109 HydrophobicContact CG2-CD1 4.45Å; V44-F109 HydrophobicContact CG2-CE1 4.12Å; V44-F109 HydrophobicContact CG2-CZ 4.18Å
45	T	81	Confident	69.7	Low	5 Å²	5	53.2 Å²	53.2	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.9	174.1	-166.8	0	0	0	0	109.9	F19 L32 I47 R61	F19-T45 HydrophobicContact CE2-CG2 4.44Å; F19-T45 HydrophobicContact CZ-CG2 3.81Å; L32-T45 HydrophobicContact CB-CG2 3.97Å; L32-T45 HydrophobicContact CD2-CG2 4.28Å; L32-T45 PolarHBondContact N-O 3.25Å; L32-T45 PolarHBondContact O-N 2.84Å; T45-I47 HydrophobicContact CG2-CG1 4.46Å; T45-R61 PolarHBondContact OG1-O 3.17Å; T45-R61 VanDerWaalsContact OG1-O 3.13Å
46	R	76.8	Confident	66.9	Low	84 Å²	84	59.4 Å²	59.4	32%	0.317	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.6	175.3	-169.6	177.3	-170.7	168.2	4	109.7	Q30 L31 S48 L112	Q30-R46 HydrophobicContact CB-CG 4.34Å; L31-R46 HydrophobicContact CD2-CB 4.27Å; L31-R46 HydrophobicContact CD2-CG 4.4Å; R46-S48 PolarHBondContact O-N 2.72Å; R46-L112 HydrophobicContact CB-CD1 4.42Å
47	I	73.5	Confident	64.6	Low	13 Å²	13	63.1 Å²	63.1	7%	0.067	35%	0.354	C	S	.	.			trans	-92.1	100.7	179.4	-61.7	-169.9	0	0	0	108.2	Q30 L32 T45 I52 I409 I419	Q30-I47 PolarHBondContact O-N 2.74Å; L32-I47 HydrophobicContact CB-CD1 3.63Å; L32-I47 HydrophobicContact CB-CG1 4.09Å; L32-I47 HydrophobicContact CD2-CD1 3.81Å; L32-I47 HydrophobicContact CG-CD1 4.24Å; T45-I47 HydrophobicContact CG2-CG1 4.46Å; I47-I52 HydrophobicContact CG2-CD1 3.5Å; I47-I52 VanDerWaalsContact CG2-CD1 3.5Å; I47-I52 HydrophobicContact CG2-CG1 4.26Å; I47-I409 HydrophobicContact CB-CD1 4.22Å; I47-I409 HydrophobicContact CD1-CD1 3.62Å; I47-I409 HydrophobicContact CG1-CD1 4.22Å; I47-I419 HydrophobicContact CD1-CD1 3.41Å; I47-I419 VanDerWaalsContact CD1-CD1 3.41Å
48	S	67.1	Low	62.5	Low	39 Å²	39	67.1 Å²	67.1	27%	0.273	38%	0.377	S	S	.	.			trans	-113.5	148.5	175.9	47.3	0	0	0	0	110.8	R46 G50 R51	R46-S48 PolarHBondContact O-N 2.72Å; S48-G50 PolarHBondContact O-N 3Å; S48-G50 VanDerWaalsContact O-N 3.11Å; S48-R51 PolarHBondContact O-N 3.31Å; S48-R51 VanDerWaalsContact O-N 3.17Å
49	E	48.8	Very low	60.6	Low	120 Å²	120	71.5 Å²	71.5	56%	0.561	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.2	-172.5	-78.7	177.8	141.8	0	0	114.4	H411 R417	E49-H411 VanDerWaalsContact CD-CE1 3.42Å; E49-H411 VanDerWaalsContact CD-NE2 3.3Å; E49-H411 VanDerWaalsContact CG-NE2 3.28Å; E49-H411 WeakPolarHBondContact CG-NE2 3.48Å; E49-H411 IonicContact OE1-CE1 2.86Å; E49-H411 PolarHBondContact OE1-CE1 2.9Å; E49-H411 IonicContact OE1-ND1 3.92Å; E49-H411 IonicContact OE1-NE2 3.08Å; E49-H411 PolarHBondContact OE1-NE2 2.86Å; E49-H411 VanDerWaalsContact OE1-NE2 3.08Å; E49-R417 VanDerWaalsContact CG-NH2 3.33Å
50	G	44	Very low	59.1	Low	55 Å²	55	68 Å²	68	57%	0.567	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.5	-175.4	0	0	0	0	0	116	S48 T53	S48-G50 PolarHBondContact O-N 3Å; S48-G50 VanDerWaalsContact O-N 3.11Å; G50-T53 PolarHBondContact O-OG1 3.42Å
51	R	46.3	Very low	58	Low	110 Å²	110	71.5 Å²	71.5	42%	0.415	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.8	-170.5	-74.7	-172.6	178.5	159.7	3.1	115.2	S48 T53	S48-R51 PolarHBondContact O-N 3.31Å; S48-R51 VanDerWaalsContact O-N 3.17Å; R51-T53 VanDerWaalsContact C-N 3.35Å
52	I	45.9	Very low	57.3	Low	42 Å²	42	70.7 Å²	70.7	22%	0.215	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-25	179.1	-48.9	173	0	0	0	110.6	I47 G54 I429	I47-I52 HydrophobicContact CG2-CD1 3.5Å; I47-I52 VanDerWaalsContact CG2-CD1 3.5Å; I47-I52 HydrophobicContact CG2-CG1 4.26Å; I52-G54 PolarHBondContact O-N 3.03Å; I52-I429 HydrophobicContact CD1-CD1 4.13Å; I52-I429 HydrophobicContact CD1-CG2 4.47Å; I52-I429 HydrophobicContact CG1-CD1 4.41Å; I52-I429 HydrophobicContact CG2-CD1 4.06Å
53	T	38.2	Very low	56.7	Low	82 Å²	82	71 Å²	71	50%	0.503	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	8.4	177.3	52.2	0	0	0	0	113	K15 G50 R51 T55	K15-T53 WeakPolarHBondContact CD-O 3.28Å; K15-T53 PolarHBondContact NZ-O 3.08Å; G50-T53 PolarHBondContact O-OG1 3.42Å; R51-T53 VanDerWaalsContact C-N 3.35Å; T53-T55 PolarHBondContact O-N 2.76Å
54	G	37	Very low	56.5	Low	39 Å²	39	71.7 Å²	71.7	40%	0.402	39%	0.386	S	S	.	.			trans	44.8	33.9	162.6	0	0	0	0	0	116.4	K15 I52 D56	K15-G54 PolarHBondContact NZ-O 2.87Å; I52-G54 PolarHBondContact O-N 3.03Å; G54-D56 VanDerWaalsContact C-N 3.35Å
55	T	35.2	Very low	56.5	Low	111 Å²	111	71.9 Å²	71.9	68%	0.681	39%	0.387	S	S	*	.			trans	-87	-7.6	175.6	35.1	0	0	0	0	112.8	T53	T53-T55 PolarHBondContact O-N 2.76Å
56	D	33	Very low	56.8	Low	131 Å²	131	74.7 Å²	74.7	70%	0.701	40%	0.402	S	S	*	.	S	Bend	trans	-116.2	140.6	170.1	-75.8	-38.7	0	0	0	111.3	G54 D58	G54-D56 VanDerWaalsContact C-N 3.35Å; D56-D58 PolarHBondContact O-N 3.38Å
57	A	38.9	Very low	57.4	Low	99 Å²	99	71.8 Å²	71.8	82%	0.818	39%	0.391	S	S	*	.	S	Bend	trans	-63.5	2.2	173.9	0	0	0	0	0	113.8	Y59	A57-Y59 PolarHBondContact O-N 3Å
58	D	40.4	Very low	58	Low	111 Å²	111	74.2 Å²	74.2	59%	0.594	42%	0.42	S	S	*	.			trans	-85.9	98.6	176	-87.8	-1.7	0	0	0	110.1	D56	D56-D58 PolarHBondContact O-N 3.38Å
59	Y	44	Very low	59.1	Low	183 Å²	183	75 Å²	75	72%	0.718	42%	0.421	S	S	*	.			trans	-40.6	140.9	164.2	-75.8	-93.2	0	0	0	110.4	A57 R61	A57-Y59 PolarHBondContact O-N 3Å; Y59-R61 PolarHBondContact O-N 3.45Å
60	P	52.6	Low	61.1	Low	29 Å²	29	71.4 Å²	71.4	19%	0.188	41%	0.407	C	S	.	.			trans	-53.9	114.8	177	21	-30.4	0	0	0	108.6	V17 F19 H62	V17-P60 HydrophobicContact CG1-CG 3.95Å; F19-P60 HydrophobicContact CE2-CG 4.31Å; F19-P60 HydrophobicContact CZ-CG 4.14Å; P60-H62 PolarHBondContact O-N 2.86Å; P60-H62 PolarHBondContact O-ND1 3.01Å
61	R	62.9	Low	63.2	Low	118 Å²	118	68.8 Å²	68.8	45%	0.445	38%	0.38	S	S	.	.			trans	-54	119.9	176	-67.1	-171.7	-176.5	176.1	0.2	106.7	T45 Y59 L112	T45-R61 PolarHBondContact OG1-O 3.17Å; T45-R61 VanDerWaalsContact OG1-O 3.13Å; Y59-R61 PolarHBondContact O-N 3.45Å; R61-L112 HydrophobicContact CB-CB 4.06Å
62	H	73.1	Confident	65	Low	78 Å²	78	69.4 Å²	69.4	36%	0.361	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.5	-179.9	59.5	-83.1	0	0	0	107.4	F19 Y43 V44 P60 L112	F19-H62 HydrophobicContact CE1-CB 4.47Å; Y43-H62 AromaticContact CD1-CD2 3.86Å; V44-H62 CarbonylContact O-C 3.58Å; V44-H62 VanDerWaalsContact O-CA 3.31Å; V44-H62 WeakPolarHBondContact O-CA 3.46Å; P60-H62 PolarHBondContact O-N 2.86Å; P60-H62 PolarHBondContact O-ND1 3.01Å; H62-L112 VanDerWaalsContact C-CD2 3.48Å
63	A	78.4	Confident	66.8	Low	8 Å²	8	73.1 Å²	73.1	7%	0.066	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.5	173.4	0	0	0	0	0	108	Y43 V44 L112	Y43-A63 WeakPolarHBondContact CA-O 3.42Å; V44-A63 HydrophobicContact CG1-CB 3.78Å; V44-A63 PolarHBondContact N-O 3.47Å; V44-A63 PolarHBondContact O-N 2.88Å; A63-L112 HydrophobicContact CB-CD2 3.37Å
64	R	83.7	Confident	69.2	Low	47 Å²	47	72.4 Å²	72.4	18%	0.177	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.7	163.7	-173.3	177.5	71.8	172.8	10.5	108.6	R41 Y43 N115 K116 G117	R41-R64 VanDerWaalsContact CZ-NH1 3.31Å; Y43-R64 HydrophobicContact CD1-CB 4.23Å; Y43-R64 HydrophobicContact CD1-CG 4.4Å; Y43-R64 HydrophobicContact CE1-CB 4.17Å; Y43-R64 HydrophobicContact CE1-CG 4.1Å; R64-N115 PolarHBondContact N-O 2.92Å; R64-K116 WeakPolarHBondContact O-CA 3.29Å; R64-G117 PolarHBondContact O-N 3.16Å
65	I	86.7	Confident	71.7	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.3	171	-61.7	175	0	0	0	107.7	F33 L42 V44 F67 V98 L100 G117 C119	F33-I65 HydrophobicContact CD1-CD1 4.22Å; F33-I65 HydrophobicContact CE1-CD1 3.98Å; L42-I65 HydrophobicContact CB-CB 4.26Å; L42-I65 HydrophobicContact CD2-CB 4.13Å; L42-I65 HydrophobicContact CD2-CD1 3.78Å; L42-I65 HydrophobicContact CD2-CG2 4.26Å; L42-I65 HydrophobicContact CG-CB 4.3Å; L42-I65 HydrophobicContact CG-CD1 4.15Å; L42-I65 PolarHBondContact O-N 3.38Å; V44-I65 HydrophobicContact CB-CD1 4.1Å; V44-I65 HydrophobicContact CG1-CD1 3.91Å; V44-I65 HydrophobicContact CG1-CG1 3.98Å; I65-F67 HydrophobicContact CG2-CD1 4.1Å; I65-V98 HydrophobicContact CG2-CG1 4.17Å; I65-L100 HydrophobicContact CD1-CD2 4.01Å; I65-G117 WeakPolarHBondContact CA-O 3.42Å; I65-C119 HydrophobicContact CG2-CB 3.78Å; I65-C119 VanDerWaalsContact CG2-SG 3.54Å
66	L	86.2	Confident	74.2	Confident	64 Å²	64	69.8 Å²	69.8	34%	0.335	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.5	175.3	-72	173.8	0	0	0	109	K116 G117 A118 C119	L66-K116 HydrophobicContact CD1-CB 3.98Å; L66-K116 HydrophobicContact CD1-CD 4.06Å; L66-K116 HydrophobicContact CD1-CG 4.13Å; L66-G117 PolarHBondContact N-O 2.95Å; L66-A118 CarbonylContact O-C 3.49Å; L66-A118 WeakPolarHBondContact O-CA 3.43Å; L66-C119 PolarHBondContact O-N 3.41Å
67	F	89.9	Confident	76.8	Confident	22 Å²	22	65.1 Å²	65.1	10%	0.096	35%	0.352	C	S	.	.			trans	-149.1	155.9	178.9	59.6	-81	0	0	0	109	W35 L42 I65 N69 V70 L89 V98 C119	W35-F67 HydrophobicContact CH2-CZ 4.45Å; W35-F67 HydrophobicContact CZ3-CE1 4.38Å; W35-F67 AromaticContact CZ3-CZ 3.91Å; W35-F67 HydrophobicContact CZ3-CZ 3.91Å; L42-F67 HydrophobicContact CB-CE1 3.87Å; L42-F67 HydrophobicContact CD2-CE1 4.45Å; I65-F67 HydrophobicContact CG2-CD1 4.1Å; F67-N69 WeakPolarHBondContact CE2-O 3.09Å; F67-V70 HydrophobicContact CD2-CG2 3.99Å; F67-V70 HydrophobicContact CE2-CB 4.21Å; F67-V70 HydrophobicContact CE2-CG1 4.4Å; F67-V70 HydrophobicContact CE2-CG2 3.85Å; F67-V70 HydrophobicContact CG-CG2 4.49Å; F67-V70 HydrophobicContact CZ-CG1 4.34Å; F67-V70 HydrophobicContact CZ-CG2 4.19Å; F67-V70 WeakPolarHBondContact O-CG2 3.5Å; F67-L89 HydrophobicContact CE1-CD1 4.47Å; F67-L89 HydrophobicContact CE2-CD1 4.04Å; F67-L89 HydrophobicContact CZ-CD1 3.51Å; F67-V98 HydrophobicContact CB-CG1 4.25Å; F67-V98 HydrophobicContact CD1-CG1 4.28Å; F67-V98 HydrophobicContact CD1-CG2 4.16Å; F67-V98 HydrophobicContact CD2-CG2 3.63Å; F67-V98 HydrophobicContact CE1-CG2 4.18Å; F67-V98 HydrophobicContact CE2-CG2 3.62Å; F67-V98 HydrophobicContact CG-CG1 4.18Å; F67-V98 HydrophobicContact CG-CG2 3.9Å; F67-V98 HydrophobicContact CZ-CG2 3.93Å; F67-C119 WeakPolarHBondContact CA-O 3.38Å; F67-C119 HydrophobicContact CB-CB 4.49Å; F67-C119 WeakPolarHBondContact CB-O 3.37Å
68	G	86.6	Confident	79.4	Confident	65 Å²	65	61 Å²	61	67%	0.67	32%	0.316	S	S	*	.	S	Bend	trans	-81.1	-42.1	-169.7	0	0	0	0	0	113.9	V70 S121	G68-V70 VanDerWaalsContact C-N 3.31Å; G68-V70 PolarHBondContact O-N 3.47Å; G68-S121 PolarHBondContact N-OG 3.35Å; G68-S121 VanDerWaalsContact N-OG 3.13Å
69	N	89.7	Confident	81.8	Confident	56 Å²	56	57.7 Å²	57.7	30%	0.299	30%	0.297	S	S	.	.			trans	-90.8	70.2	-172.6	-67.1	17.4	0	0	0	109.2	F67 S96 S121 M122 F123	F67-N69 WeakPolarHBondContact CE2-O 3.09Å; N69-S96 WeakPolarHBondContact O-CB 3.29Å; N69-S96 PolarHBondContact O-OG 3.09Å; N69-S121 WeakPolarHBondContact CB-OG 3.37Å; N69-S121 PolarHBondContact N-OG 2.96Å; N69-M122 VanDerWaalsContact ND2-CA 3.35Å; N69-M122 WeakPolarHBondContact ND2-CA 3.29Å; N69-F123 HydrophobicContact CB-CD1 4.43Å; N69-F123 HydrophobicContact CB-CD2 3.56Å; N69-F123 HydrophobicContact CB-CE1 4.43Å; N69-F123 HydrophobicContact CB-CE2 3.56Å; N69-F123 HydrophobicContact CB-CG 4.01Å; N69-F123 HydrophobicContact CB-CZ 4.03Å; N69-F123 PolarHBondContact ND2-N 3.12Å
70	V	90.8	Very high	84.1	Confident	43 Å²	43	50 Å²	50	26%	0.261	27%	0.268	S	S	.	.			trans	-84.8	124	-177.3	-172.3	0	0	0	0	109.5	W35 C40 F67 G68 V72 F123	W35-V70 HydrophobicContact CH2-CG1 3.85Å; C40-V70 HydrophobicContact CB-CG1 3.55Å; C40-V70 WeakPolarHBondContact O-CG1 3.35Å; F67-V70 HydrophobicContact CD2-CG2 3.99Å; F67-V70 HydrophobicContact CE2-CB 4.21Å; F67-V70 HydrophobicContact CE2-CG1 4.4Å; F67-V70 HydrophobicContact CE2-CG2 3.85Å; F67-V70 HydrophobicContact CG-CG2 4.49Å; F67-V70 HydrophobicContact CZ-CG1 4.34Å; F67-V70 HydrophobicContact CZ-CG2 4.19Å; F67-V70 WeakPolarHBondContact O-CG2 3.5Å; G68-V70 VanDerWaalsContact C-N 3.31Å; G68-V70 PolarHBondContact O-N 3.47Å; V70-V72 PolarHBondContact O-N 3.26Å; V70-F123 WeakPolarHBondContact O-CZ 2.94Å
71	P	87.9	Confident	86	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.259	C	S	.	.			trans	-54.9	131.3	176.9	-22.8	31.1	0	0	0	111.3	V75 L89	P71-V75 HydrophobicContact CB-CG2 3.93Å; P71-V75 HydrophobicContact CG-CG2 4.03Å; P71-L89 HydrophobicContact CG-CB 3.86Å; P71-L89 HydrophobicContact CG-CD1 4.25Å
72	V	83.6	Confident	87.2	Confident	122 Å²	122	45.8 Å²	45.8	74%	0.739	26%	0.255	S	S	*	.	S	Bend	trans	-84.1	-35.3	178.2	-173.1	0	0	0	0	109.6	V70 E94	V70-V72 PolarHBondContact O-N 3.26Å; V72-E94 PolarHBondContact N-OE2 3.2Å
73	R	85.1	Confident	87.9	Confident	121 Å²	121	44.2 Å²	44.2	46%	0.457	26%	0.256	S	S	.	.	S	Bend	trans	-78.6	166	179.2	-71.3	175.7	171.3	135.2	-0.5	112.3	Q37 V75 T93 E94	Q37-R73 PolarHBondContact NE2-O 3.2Å; R73-V75 PolarHBondContact O-N 3.4Å; R73-T93 WeakPolarHBondContact CD-OG1 3.46Å; R73-T93 VanDerWaalsContact CZ-OG1 3.29Å; R73-T93 PolarHBondContact NE-OG1 2.97Å; R73-T93 VanDerWaalsContact NH1-CB 3.32Å; R73-T93 PolarHBondContact NH1-OG1 3Å; R73-E94 IonicContact CZ-OE1 2.82Å; R73-E94 IonicContact NH1-OE1 3.07Å; R73-E94 PolarHBondContact NH1-OE1 2.87Å
74	S	87.6	Confident	88.3	Confident	67 Å²	67	44.6 Å²	44.6	47%	0.469	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-62.4	118.6	177.1	-164.2	0	0	0	0	110.3	L76 S91	S74-L76 PolarHBondContact O-N 3.23Å; S74-S91 WeakPolarHBondContact O-CA 3.26Å; S74-S91 WeakPolarHBondContact O-CB 3.46Å
75	V	89.8	Confident	88.6	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.042	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-71.1	125	172.3	-179	0	0	0	0	107.4	L24 W35 P71 R73 Q77 L89 V90	L24-V75 HydrophobicContact CD1-CB 4.21Å; L24-V75 HydrophobicContact CD1-CG1 3.74Å; L24-V75 WeakPolarHBondContact CD1-O 3.47Å; W35-V75 HydrophobicContact CD2-CG2 4.4Å; W35-V75 HydrophobicContact CZ2-CG2 3.67Å; P71-V75 HydrophobicContact CB-CG2 3.93Å; P71-V75 HydrophobicContact CG-CG2 4.03Å; R73-V75 PolarHBondContact O-N 3.4Å; V75-Q77 WeakPolarHBondContact CG1-O 3.15Å; V75-L89 HydrophobicContact CG1-CB 4.15Å; V75-L89 HydrophobicContact CG1-CD2 4.04Å; V75-L89 HydrophobicContact CG2-CB 4.3Å; V75-V90 CarbonylContact C-O 3.6Å; V75-V90 WeakPolarHBondContact CA-O 3.28Å
76	L	87.4	Confident	88.9	Confident	88 Å²	88	44.7 Å²	44.7	46%	0.461	27%	0.266	S	S	.	.			trans	-102.6	-30.6	-179.3	-60.8	-179.4	0	0	0	112.2	S74 V90 E92	S74-L76 PolarHBondContact O-N 3.23Å; L76-V90 PolarHBondContact N-O 3.34Å; L76-E92 HydrophobicContact CD1-CB 4.5Å; L76-E92 HydrophobicContact CD1-CG 3.42Å; L76-E92 VanDerWaalsContact CD1-CG 3.42Å
77	Q	88.5	Confident	89.3	Confident	32 Å²	32	41.6 Å²	41.6	15%	0.15	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.5	-177.7	-170.5	-173.6	-1.7	0	0	110.3	V75 E79 V90 V140	V75-Q77 WeakPolarHBondContact CG1-O 3.15Å; Q77-E79 HydrophobicContact CG-CG 4.01Å; Q77-E79 PolarHBondContact NE2-OE1 2.76Å; Q77-V90 HydrophobicContact CB-CB 4.16Å; Q77-V90 PolarHBondContact N-O 2.87Å; Q77-V90 PolarHBondContact O-N 3.38Å; Q77-V140 PolarHBondContact NE2-O 2.89Å
78	M	92	Very high	89.5	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.069	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.8	174	-178.6	165.7	70.9	0	0	108.7	A26 F33 W35 L42 L87 A88 L89	A26-M78 HydrophobicContact CB-CE 3.51Å; A26-M78 HydrophobicContact CB-CG 4.07Å; F33-M78 HydrophobicContact CB-CE 4.06Å; F33-M78 HydrophobicContact CB-SD 4.44Å; F33-M78 WeakPolarHBondContact O-CE 3.48Å; W35-M78 HydrophobicContact CB-CE 4.47Å; W35-M78 HydrophobicContact CB-SD 3.98Å; L42-M78 HydrophobicContact CD1-SD 3.89Å; M78-L87 HydrophobicContact CG-CD1 4.27Å; M78-L87 HydrophobicContact CG-CD2 4.02Å; M78-L87 HydrophobicContact CG-CG 4.21Å; M78-L87 HydrophobicContact SD-CD1 4.16Å; M78-L87 HydrophobicContact SD-CD2 4.23Å; M78-A88 WeakPolarHBondContact CA-O 3.43Å; M78-L89 HydrophobicContact CB-CD2 4.3Å; M78-L89 HydrophobicContact CG-CD2 3.91Å; M78-L89 HydrophobicContact SD-CD2 3.79Å
79	E	91.7	Very high	89.9	Confident	40 Å²	40	37.5 Å²	37.5	19%	0.187	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.8	-177.4	-66	-74.3	137.7	0	0	110.5	Q77 L87 A88 R141 W142	Q77-E79 HydrophobicContact CG-CG 4.01Å; Q77-E79 PolarHBondContact NE2-OE1 2.76Å; E79-L87 CarbonylContact O-C 3.49Å; E79-L87 WeakPolarHBondContact O-CA 3.19Å; E79-A88 PolarHBondContact N-O 3.48Å; E79-A88 PolarHBondContact O-N 3.15Å; E79-R141 IonicContact OE1-CZ 2.59Å; E79-R141 IonicContact OE1-NH1 2.75Å; E79-R141 PolarHBondContact OE1-NH1 2.8Å; E79-R141 IonicContact OE2-NH1 3.03Å; E79-R141 PolarHBondContact OE2-NH1 2.77Å; E79-W142 PolarHBondContact O-NE1 2.91Å
80	I	92.1	Very high	90.1	Very high	23 Å²	23	35 Å²	35	12%	0.118	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138	176.4	-55.1	164.9	0	0	0	107.4	A26 H28 F33 C84 L87 W142	A26-I80 HydrophobicContact CB-CD1 3.72Å; A26-I80 HydrophobicContact CB-CG1 4.1Å; H28-I80 HydrophobicContact CB-CD1 3.96Å; H28-I80 HydrophobicContact CB-CG2 4.07Å; F33-I80 HydrophobicContact CD2-CD1 3.35Å; F33-I80 HydrophobicContact CD2-CG1 4.31Å; F33-I80 HydrophobicContact CE2-CD1 3.72Å; F33-I80 HydrophobicContact CG-CD1 4.17Å; I80-C84 HydrophobicContact CG2-CB 4.32Å; I80-L87 HydrophobicContact CG1-CD1 4.05Å; I80-L87 HydrophobicContact CG1-CG 4.35Å; I80-W142 VanDerWaalsContact O-CD1 3.28Å
81	D	92.2	Very high	90.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.			trans	-70.4	158.1	177.5	78.2	-37.1	0	0	0	111.6	A83 C84 C85 C86 W142 S150	D81-A83 PolarHBondContact O-N 3.05Å; D81-A83 VanDerWaalsContact O-N 3.13Å; D81-C84 PolarHBondContact O-N 3.17Å; D81-C84 VanDerWaalsContact OD1-C 3.29Å; D81-C84 WeakPolarHBondContact OD1-CA 3.32Å; D81-C84 PolarHBondContact OD1-N 2.89Å; D81-C85 PolarHBondContact OD1-N 2.9Å; D81-C86 HydrophobicContact CB-CB 4.25Å; D81-C86 VanDerWaalsContact CG-N 3.34Å; D81-C86 PolarHBondContact N-O 3.08Å; D81-C86 PolarHBondContact OD1-N 3.43Å; D81-C86 VanDerWaalsContact OD1-O 3.04Å; D81-W142 HydrophobicContact CB-CB 4.31Å; D81-W142 HydrophobicContact CB-CD2 3.52Å; D81-W142 HydrophobicContact CB-CE3 3.86Å; D81-W142 HydrophobicContact CB-CG 3.72Å; D81-W142 HydrophobicContact CB-CZ2 4.39Å; D81-W142 HydrophobicContact CB-CZ3 4.45Å; D81-S150 WeakPolarHBondContact OD2-CB 3.29Å; D81-S150 PolarHBondContact OD2-OG 3.45Å
82	P	88.2	Confident	90.1	Very high	57 Å²	57	37.6 Å²	37.6	37%	0.37	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.2	-177.9	-28.6	35.9	0	0	0	113.9	H28 C84 P144	H28-P82 PolarHBondContact NE2-O 3.49Å; P82-C84 VanDerWaalsContact C-N 3.35Å; P82-P144 WeakPolarHBondContact CG-O 3.2Å
83	A	86.9	Confident	90.3	Very high	46 Å²	46	32.6 Å²	32.6	38%	0.38	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.8	178.7	0	0	0	0	0	114.5	D81 C85	D81-A83 PolarHBondContact O-N 3.05Å; D81-A83 VanDerWaalsContact O-N 3.13Å; A83-C85 HydrophobicContact CB-CB 4.41Å; A83-C85 PolarHBondContact O-N 3.3Å
84	C	88.6	Confident	90.6	Very high	16 Å²	16	28.8 Å²	28.8	11%	0.108	17%	0.167	C	C	.	.	S	Bend	trans	56.2	32.7	-171.3	-158.2	0	0	0	0	113.8	I80 D81 P82	I80-C84 HydrophobicContact CG2-CB 4.32Å; D81-C84 PolarHBondContact O-N 3.17Å; D81-C84 VanDerWaalsContact OD1-C 3.29Å; D81-C84 WeakPolarHBondContact OD1-CA 3.32Å; D81-C84 PolarHBondContact OD1-N 2.89Å; P82-C84 VanDerWaalsContact C-N 3.35Å
85	C	88.6	Confident	90.9	Very high	50 Å²	50	25.6 Å²	25.6	34%	0.338	14%	0.144	S	C	.	.	S	Bend	trans	-95	-23.8	174.9	-66.9	0	0	0	0	112.2	D81 A83 L100	D81-C85 PolarHBondContact OD1-N 2.9Å; A83-C85 HydrophobicContact CB-CB 4.41Å; A83-C85 PolarHBondContact O-N 3.3Å; C85-L100 PolarHBondContact O-N 3.06Å
86	C	92.8	Very high	91.2	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.027	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.6	-175.7	-59.5	0	0	0	0	111	D81 V97 V98 W142	D81-C86 HydrophobicContact CB-CB 4.25Å; D81-C86 VanDerWaalsContact CG-N 3.34Å; D81-C86 PolarHBondContact N-O 3.08Å; D81-C86 PolarHBondContact OD1-N 3.43Å; D81-C86 VanDerWaalsContact OD1-O 3.04Å; C86-V97 HydrophobicContact CB-CG1 4.1Å; C86-V98 CarbonylContact C-O 3.56Å; C86-V98 WeakPolarHBondContact CA-O 3.24Å; C86-W142 HydrophobicContact CB-CH2 3.5Å; C86-W142 VanDerWaalsContact CB-CH2 3.5Å; C86-W142 HydrophobicContact CB-CZ2 3.65Å; C86-W142 HydrophobicContact CB-CZ3 4.22Å
87	L	94.7	Very high	91.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.5	171.8	-178.4	153.1	0	0	0	109.1	F33 L42 M78 E79 I80 L89 V97 V98 L100	F33-L87 HydrophobicContact CB-CD1 3.97Å; F33-L87 HydrophobicContact CD1-CD1 3.58Å; F33-L87 HydrophobicContact CD2-CD1 4.45Å; F33-L87 HydrophobicContact CE1-CD1 4.16Å; F33-L87 HydrophobicContact CG-CD1 3.74Å; L42-L87 HydrophobicContact CD1-CD1 4.33Å; L42-L87 HydrophobicContact CD2-CD1 4.1Å; L42-L87 HydrophobicContact CD2-CD2 4.07Å; M78-L87 HydrophobicContact CG-CD1 4.27Å; M78-L87 HydrophobicContact CG-CD2 4.02Å; M78-L87 HydrophobicContact CG-CG 4.21Å; M78-L87 HydrophobicContact SD-CD1 4.16Å; M78-L87 HydrophobicContact SD-CD2 4.23Å; E79-L87 CarbonylContact O-C 3.49Å; E79-L87 WeakPolarHBondContact O-CA 3.19Å; I80-L87 HydrophobicContact CG1-CD1 4.05Å; I80-L87 HydrophobicContact CG1-CG 4.35Å; L87-L89 HydrophobicContact CD2-CD1 4.49Å; L87-L89 HydrophobicContact CD2-CD2 3.69Å; L87-L89 HydrophobicContact CD2-CG 3.67Å; L87-V97 CarbonylContact O-C 3.58Å; L87-V97 WeakPolarHBondContact O-CA 3.32Å; L87-V98 PolarHBondContact N-O 3.4Å; L87-V98 PolarHBondContact O-N 3.1Å; L87-L100 HydrophobicContact CB-CD1 4.19Å; L87-L100 HydrophobicContact CB-CD2 4.4Å; L87-L100 HydrophobicContact CB-CG 4.33Å
88	A	95.5	Very high	91.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.6	175.6	0	0	0	0	0	110.2	M78 E79 V90 S96 W142 L152	M78-A88 WeakPolarHBondContact CA-O 3.43Å; E79-A88 PolarHBondContact N-O 3.48Å; E79-A88 PolarHBondContact O-N 3.15Å; A88-V90 HydrophobicContact CB-CG2 4.3Å; A88-S96 CarbonylContact C-O 3.49Å; A88-S96 WeakPolarHBondContact CA-O 3.38Å; A88-W142 HydrophobicContact CB-CZ2 3.78Å; A88-L152 HydrophobicContact CB-CD1 4.19Å; A88-L152 HydrophobicContact CB-CD2 4.27Å
89	L	95	Very high	91.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.5	167.7	-65.6	174.7	0	0	0	108.2	W35 F67 P71 V75 M78 L87 S96 V98	W35-L89 HydrophobicContact CB-CD2 4.49Å; W35-L89 HydrophobicContact CD2-CD1 4.42Å; W35-L89 HydrophobicContact CD2-CD2 4.22Å; W35-L89 HydrophobicContact CE3-CD1 3.78Å; W35-L89 HydrophobicContact CE3-CD2 4.15Å; W35-L89 HydrophobicContact CG-CD2 4.38Å; W35-L89 HydrophobicContact CH2-CD1 4.1Å; W35-L89 HydrophobicContact CZ3-CD1 3.62Å; F67-L89 HydrophobicContact CE1-CD1 4.47Å; F67-L89 HydrophobicContact CE2-CD1 4.04Å; F67-L89 HydrophobicContact CZ-CD1 3.51Å; P71-L89 HydrophobicContact CG-CB 3.86Å; P71-L89 HydrophobicContact CG-CD1 4.25Å; V75-L89 HydrophobicContact CG1-CB 4.15Å; V75-L89 HydrophobicContact CG1-CD2 4.04Å; V75-L89 HydrophobicContact CG2-CB 4.3Å; M78-L89 HydrophobicContact CB-CD2 4.3Å; M78-L89 HydrophobicContact CG-CD2 3.91Å; M78-L89 HydrophobicContact SD-CD2 3.79Å; L87-L89 HydrophobicContact CD2-CD1 4.49Å; L87-L89 HydrophobicContact CD2-CD2 3.69Å; L87-L89 HydrophobicContact CD2-CG 3.67Å; L89-S96 PolarHBondContact N-O 3.03Å; L89-S96 PolarHBondContact O-N 3.31Å; L89-V98 HydrophobicContact CD1-CG2 4.41Å
90	V	93.2	Very high	91.6	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.4	-169.3	-178.5	0	0	0	0	109.4	V75 L76 Q77 A88 I95 V140	V75-V90 CarbonylContact C-O 3.6Å; V75-V90 WeakPolarHBondContact CA-O 3.28Å; L76-V90 PolarHBondContact N-O 3.34Å; Q77-V90 HydrophobicContact CB-CB 4.16Å; Q77-V90 PolarHBondContact N-O 2.87Å; Q77-V90 PolarHBondContact O-N 3.38Å; A88-V90 HydrophobicContact CB-CG2 4.3Å; V90-I95 HydrophobicContact CG1-CG1 4.1Å; V90-I95 HydrophobicContact CG2-CG1 4.24Å; V90-I95 HydrophobicContact CG2-CG2 4.36Å; V90-V140 HydrophobicContact CB-CG2 4.35Å; V90-V140 HydrophobicContact CG1-CB 4.39Å; V90-V140 HydrophobicContact CG1-CG2 3.66Å; V90-V140 HydrophobicContact CG2-CB 3.83Å; V90-V140 HydrophobicContact CG2-CG1 4.01Å; V90-V140 HydrophobicContact CG2-CG2 3.79Å
91	S	90.6	Very high	90.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.118	C	C	.	.			trans	-103.4	-177.2	167	71.1	0	0	0	0	110.1	S74 T93 E94	S74-S91 WeakPolarHBondContact O-CA 3.26Å; S74-S91 WeakPolarHBondContact O-CB 3.46Å; S91-T93 PolarHBondContact O-N 2.78Å; S91-T93 VanDerWaalsContact O-N 3.07Å; S91-T93 PolarHBondContact OG-N 3.32Å; S91-E94 PolarHBondContact N-O 3.21Å; S91-E94 WeakPolarHBondContact OG-CA 3.28Å; S91-E94 VanDerWaalsContact OG-CB 3.29Å; S91-E94 WeakPolarHBondContact OG-CB 3.39Å; S91-E94 PolarHBondContact OG-N 3.25Å; S91-E94 PolarHBondContact OG-O 2.88Å; S91-E94 VanDerWaalsContact OG-O 3.08Å
92	E	87.8	Confident	89.1	Confident	96 Å²	96	26 Å²	26	45%	0.449	16%	0.157	S	C	.	.	S	Bend	trans	-57.9	-21.9	175.9	-67	-169.6	-178.6	0	0	113.7	L76 K136 Y137	L76-E92 HydrophobicContact CD1-CB 4.5Å; L76-E92 HydrophobicContact CD1-CG 3.42Å; L76-E92 VanDerWaalsContact CD1-CG 3.42Å; E92-K136 CarbonylContact O-C 3.5Å; E92-K136 WeakPolarHBondContact O-CA 3.18Å; E92-K136 WeakPolarHBondContact O-CB 3.22Å; E92-K136 IonicContact OE2-NZ 3.6Å; E92-Y137 PolarHBondContact O-N 3.45Å
93	T	88.8	Confident	87.3	Confident	18 Å²	18	26 Å²	26	11%	0.11	16%	0.158	C	C	.	.	S	Bend	trans	-143.6	-8.6	-167	51.4	0	0	0	0	113.8	R73 S91 P134 Y137	R73-T93 WeakPolarHBondContact CD-OG1 3.46Å; R73-T93 VanDerWaalsContact CZ-OG1 3.29Å; R73-T93 PolarHBondContact NE-OG1 2.97Å; R73-T93 VanDerWaalsContact NH1-CB 3.32Å; R73-T93 PolarHBondContact NH1-OG1 3Å; S91-T93 PolarHBondContact O-N 2.78Å; S91-T93 VanDerWaalsContact O-N 3.07Å; S91-T93 PolarHBondContact OG-N 3.32Å; T93-P134 HydrophobicContact CG2-CB 4.41Å; T93-P134 HydrophobicContact CG2-CG 4.32Å; T93-Y137 VanDerWaalsContact C-CE2 3.43Å; T93-Y137 WeakPolarHBondContact O-CE2 3.43Å
94	E	91.1	Very high	85.5	Confident	40 Å²	40	27.3 Å²	27.3	19%	0.187	16%	0.164	C	C	.	.			trans	-131.3	137.2	-176.1	-57.6	166.4	-170.8	0	0	108.8	V72 R73 S91	V72-E94 PolarHBondContact N-OE2 3.2Å; R73-E94 IonicContact CZ-OE1 2.82Å; R73-E94 IonicContact NH1-OE1 3.07Å; R73-E94 PolarHBondContact NH1-OE1 2.87Å; S91-E94 PolarHBondContact N-O 3.21Å; S91-E94 WeakPolarHBondContact OG-CA 3.28Å; S91-E94 VanDerWaalsContact OG-CB 3.29Å; S91-E94 WeakPolarHBondContact OG-CB 3.39Å; S91-E94 PolarHBondContact OG-N 3.25Å; S91-E94 PolarHBondContact OG-O 2.88Å; S91-E94 VanDerWaalsContact OG-O 3.08Å
95	I	94.1	Very high	83.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.9	169.4	-62.5	168.8	0	0	0	107.2	V90 V97 F123 M124 Y137 V140 L152 A154	V90-I95 HydrophobicContact CG1-CG1 4.1Å; V90-I95 HydrophobicContact CG2-CG1 4.24Å; V90-I95 HydrophobicContact CG2-CG2 4.36Å; I95-V97 HydrophobicContact CG2-CG2 4.26Å; I95-F123 WeakPolarHBondContact O-CA 3.15Å; I95-M124 HydrophobicContact CB-CB 4.06Å; I95-M124 HydrophobicContact CB-CG 4.17Å; I95-M124 HydrophobicContact CG2-CB 4.28Å; I95-M124 HydrophobicContact CG2-CG 3.83Å; I95-M124 PolarHBondContact O-N 2.86Å; I95-Y137 HydrophobicContact CD1-CD1 3.83Å; I95-Y137 HydrophobicContact CD1-CD2 4Å; I95-Y137 HydrophobicContact CD1-CE1 3.64Å; I95-Y137 HydrophobicContact CD1-CE2 3.83Å; I95-Y137 HydrophobicContact CD1-CG 3.99Å; I95-Y137 HydrophobicContact CG1-CD2 3.81Å; I95-Y137 HydrophobicContact CG1-CE1 4.43Å; I95-Y137 HydrophobicContact CG1-CE2 3.7Å; I95-Y137 HydrophobicContact CG1-CG 4.22Å; I95-V140 HydrophobicContact CD1-CG2 3.76Å; I95-V140 HydrophobicContact CG1-CG2 4.32Å; I95-L152 HydrophobicContact CG2-CD2 3.73Å; I95-A154 HydrophobicContact CD1-CB 3.75Å
96	S	94.7	Very high	81.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.5	169.8	178.9	0	0	0	0	109.9	N69 A88 L89 M122	N69-S96 WeakPolarHBondContact O-CB 3.29Å; N69-S96 PolarHBondContact O-OG 3.09Å; A88-S96 CarbonylContact C-O 3.49Å; A88-S96 WeakPolarHBondContact CA-O 3.38Å; L89-S96 PolarHBondContact N-O 3.03Å; L89-S96 PolarHBondContact O-N 3.31Å; S96-M122 WeakPolarHBondContact CA-O 3.44Å
97	V	95.4	Very high	79.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119	173.5	178	0	0	0	0	108.6	C86 L87 I95 S121 M122 M124 W142 L152	C86-V97 HydrophobicContact CB-CG1 4.1Å; L87-V97 CarbonylContact O-C 3.58Å; L87-V97 WeakPolarHBondContact O-CA 3.32Å; I95-V97 HydrophobicContact CG2-CG2 4.26Å; V97-S121 CarbonylContact O-C 3.53Å; V97-S121 WeakPolarHBondContact O-CA 3.49Å; V97-M122 PolarHBondContact N-O 3.13Å; V97-M122 PolarHBondContact O-N 2.95Å; V97-M124 HydrophobicContact CB-CE 3.83Å; V97-M124 HydrophobicContact CG2-CE 3.63Å; V97-M124 HydrophobicContact CG2-CG 4.02Å; V97-M124 HydrophobicContact CG2-SD 4.31Å; V97-W142 HydrophobicContact CG1-CH2 3.9Å; V97-W142 HydrophobicContact CG1-CZ2 4.37Å; V97-W142 HydrophobicContact CG2-CH2 4.25Å; V97-L152 HydrophobicContact CG2-CD2 4.23Å
98	V	94.3	Very high	77.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.9	176.5	-174.9	0	0	0	0	108.6	I65 F67 C86 L87 L89 L100 C119	I65-V98 HydrophobicContact CG2-CG1 4.17Å; F67-V98 HydrophobicContact CB-CG1 4.25Å; F67-V98 HydrophobicContact CD1-CG1 4.28Å; F67-V98 HydrophobicContact CD1-CG2 4.16Å; F67-V98 HydrophobicContact CD2-CG2 3.63Å; F67-V98 HydrophobicContact CE1-CG2 4.18Å; F67-V98 HydrophobicContact CE2-CG2 3.62Å; F67-V98 HydrophobicContact CG-CG1 4.18Å; F67-V98 HydrophobicContact CG-CG2 3.9Å; F67-V98 HydrophobicContact CZ-CG2 3.93Å; C86-V98 CarbonylContact C-O 3.56Å; C86-V98 WeakPolarHBondContact CA-O 3.24Å; L87-V98 PolarHBondContact N-O 3.4Å; L87-V98 PolarHBondContact O-N 3.1Å; L89-V98 HydrophobicContact CD1-CG2 4.41Å; V98-L100 PolarHBondContact O-N 2.84Å; V98-C119 HydrophobicContact CG1-CB 3.81Å
99	Y	91.5	Very high	75	Confident	56 Å²	56	35.3 Å²	35.3	22%	0.22	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	113.4	177.4	-61.7	-92.4	0	0	0	109.3	C119 K120 M122 S166 T167	Y99-C119 VanDerWaalsContact O-CB 3.28Å; Y99-C119 WeakPolarHBondContact O-CB 3.46Å; Y99-K120 HydrophobicContact CD2-CB 3.8Å; Y99-K120 WeakPolarHBondContact CD2-O 3.3Å; Y99-K120 HydrophobicContact CG-CB 4.35Å; Y99-K120 PolarHBondContact N-O 2.98Å; Y99-M122 HydrophobicContact CE2-CB 4.19Å; Y99-S166 VanDerWaalsContact OH-C 3.31Å; Y99-S166 PolarHBondContact OH-O 2.81Å; Y99-T167 VanDerWaalsContact OH-CA 3.3Å; Y99-T167 WeakPolarHBondContact OH-CA 3.34Å
100	L	87.6	Confident	72.9	Confident	12 Å²	12	38.8 Å²	38.8	6%	0.063	24%	0.235	C	C	.	.			trans	-77.9	143.8	177.3	-58.7	177.1	0	0	0	109.2	F33 I65 C85 L87 V98 S102	F33-L100 HydrophobicContact CE1-CD1 3.97Å; F33-L100 HydrophobicContact CE1-CD2 3.86Å; F33-L100 HydrophobicContact CZ-CD1 3.72Å; F33-L100 HydrophobicContact CZ-CD2 4.4Å; I65-L100 HydrophobicContact CD1-CD2 4.01Å; C85-L100 PolarHBondContact O-N 3.06Å; L87-L100 HydrophobicContact CB-CD1 4.19Å; L87-L100 HydrophobicContact CB-CD2 4.4Å; L87-L100 HydrophobicContact CB-CG 4.33Å; V98-L100 PolarHBondContact O-N 2.84Å; L100-S102 PolarHBondContact O-N 2.81Å
101	P	72.8	Confident	70.7	Confident	29 Å²	29	43.5 Å²	43.5	19%	0.188	26%	0.26	C	S	.	.			trans	-63.8	129.9	-179.1	22.3	-29.2	0	0	0	110.6	S103 F108	P101-S103 VanDerWaalsContact C-N 3.31Å; P101-S103 PolarHBondContact O-N 2.8Å; P101-F108 HydrophobicContact CB-CB 4.44Å; P101-F108 HydrophobicContact CB-CD1 4.02Å; P101-F108 HydrophobicContact CB-CD2 3.49Å; P101-F108 VanDerWaalsContact CB-CD2 3.49Å; P101-F108 HydrophobicContact CB-CE1 4.09Å; P101-F108 HydrophobicContact CB-CE2 3.56Å; P101-F108 HydrophobicContact CB-CG 3.72Å; P101-F108 HydrophobicContact CB-CZ 3.86Å; P101-F108 HydrophobicContact CG-CB 4.15Å; P101-F108 HydrophobicContact CG-CD1 3.37Å; P101-F108 HydrophobicContact CG-CD2 3.82Å; P101-F108 HydrophobicContact CG-CE1 3.57Å; P101-F108 HydrophobicContact CG-CE2 4Å; P101-F108 HydrophobicContact CG-CG 3.49Å; P101-F108 VanDerWaalsContact CG-CG 3.49Å; P101-F108 HydrophobicContact CG-CZ 3.87Å
102	S	59	Low	68.8	Low	116 Å²	116	44 Å²	44	81%	0.811	26%	0.262	S	S	*	.			trans	-78.9	-4	-172.5	36.9	0	0	0	0	115	L100	L100-S102 PolarHBondContact O-N 2.81Å
103	S	50.7	Low	66.7	Low	56 Å²	56	42.8 Å²	42.8	39%	0.392	27%	0.265	S	S	.	.	S	Bend	trans	-61.5	140.2	165.3	-35.2	0	0	0	0	107.7	P101	P101-S103 VanDerWaalsContact C-N 3.31Å; P101-S103 PolarHBondContact O-N 2.8Å
104	S	48	Very low	64.7	Low	75 Å²	75	48.3 Å²	48.3	52%	0.524	29%	0.293	S	S	.	.			trans	-39.4	131	-178.1	67.9	0	0	0	0	109.4	G106 S107 F108	S104-G106 CarbonylContact O-C 3.46Å; S104-G106 PolarHBondContact O-N 3.41Å; S104-S107 WeakPolarHBondContact O-CA 3.31Å; S104-S107 PolarHBondContact O-N 2.81Å; S104-S107 WeakPolarHBondContact OG-CB 3.24Å; S104-S107 PolarHBondContact OG-N 2.83Å; S104-F108 PolarHBondContact O-N 3.39Å
105	P	47.1	Very low	62.9	Low	60 Å²	60	52 Å²	52	39%	0.39	31%	0.314	S	S	.	.	H	α-helix	trans	-52	-25.3	-178.2	13.7	-26.5	0	0	0	110.8	L31 F109	L31-P105 HydrophobicContact CD1-CB 3.48Å; L31-P105 VanDerWaalsContact CD1-CB 3.48Å; L31-P105 HydrophobicContact CG-CB 4.25Å; P105-F109 HydrophobicContact CB-CD2 4.17Å; P105-F109 HydrophobicContact CB-CE2 4.39Å; P105-F109 VanDerWaalsContact O-CB 3.26Å; P105-F109 WeakPolarHBondContact O-CB 3.49Å; P105-F109 WeakPolarHBondContact O-CD2 3.49Å; P105-F109 PolarHBondContact O-N 2.95Å
106	G	45.4	Very low	61.4	Low	21 Å²	21	58.3 Å²	58.3	22%	0.216	34%	0.341	C	S	.	.	H	α-helix	trans	-56.6	-52.1	165.2	0	0	0	0	0	115.6	S104 S110	S104-G106 CarbonylContact O-C 3.46Å; S104-G106 PolarHBondContact O-N 3.41Å; G106-S110 VanDerWaalsContact O-CA 3.31Å; G106-S110 WeakPolarHBondContact O-CA 3.26Å; G106-S110 WeakPolarHBondContact O-CB 3.46Å; G106-S110 PolarHBondContact O-N 3.19Å; G106-S110 PolarHBondContact O-OG 3.27Å
107	S	46.1	Very low	60.1	Low	59 Å²	59	58.9 Å²	58.9	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-70.8	-54.4	-175.8	170.5	0	0	0	0	113.3	S104 F109 S110 N111	S104-S107 WeakPolarHBondContact O-CA 3.31Å; S104-S107 PolarHBondContact O-N 2.81Å; S104-S107 WeakPolarHBondContact OG-CB 3.24Å; S104-S107 PolarHBondContact OG-N 2.83Å; S107-F109 VanDerWaalsContact C-N 3.27Å; S107-F109 PolarHBondContact O-N 3.19Å; S107-S110 WeakPolarHBondContact CA-OG 3.31Å; S107-S110 PolarHBondContact O-N 3.27Å; S107-S110 VanDerWaalsContact O-N 3.09Å; S107-S110 PolarHBondContact O-OG 3.11Å; S107-N111 PolarHBondContact O-N 3.42Å
108	F	49.7	Very low	59.3	Low	84 Å²	84	63 Å²	63	37%	0.368	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-36.9	-177.1	-151.7	-87.6	0	0	0	111.6	P101 S104	P101-F108 HydrophobicContact CB-CB 4.44Å; P101-F108 HydrophobicContact CB-CD1 4.02Å; P101-F108 HydrophobicContact CB-CD2 3.49Å; P101-F108 VanDerWaalsContact CB-CD2 3.49Å; P101-F108 HydrophobicContact CB-CE1 4.09Å; P101-F108 HydrophobicContact CB-CE2 3.56Å; P101-F108 HydrophobicContact CB-CG 3.72Å; P101-F108 HydrophobicContact CB-CZ 3.86Å; P101-F108 HydrophobicContact CG-CB 4.15Å; P101-F108 HydrophobicContact CG-CD1 3.37Å; P101-F108 HydrophobicContact CG-CD2 3.82Å; P101-F108 HydrophobicContact CG-CE1 3.57Å; P101-F108 HydrophobicContact CG-CE2 4Å; P101-F108 HydrophobicContact CG-CG 3.49Å; P101-F108 VanDerWaalsContact CG-CG 3.49Å; P101-F108 HydrophobicContact CG-CZ 3.87Å; S104-F108 PolarHBondContact O-N 3.39Å
109	F	53.1	Low	58.9	Low	14 Å²	14	63.8 Å²	63.8	6%	0.061	39%	0.387	C	S	.	.	H	α-helix	trans	-91.1	-7.4	176.4	-54.4	-63.6	0	0	0	113.5	L31 V44 P105 S107 N111 L112	L31-F109 HydrophobicContact CD1-CD2 3.64Å; L31-F109 HydrophobicContact CD1-CE2 3.51Å; L31-F109 HydrophobicContact CD2-CB 4.35Å; L31-F109 HydrophobicContact CD2-CD2 3.67Å; L31-F109 HydrophobicContact CD2-CE2 4.29Å; L31-F109 HydrophobicContact CD2-CG 4.12Å; L31-F109 HydrophobicContact CG-CD2 4.32Å; V44-F109 HydrophobicContact CB-CE1 4.33Å; V44-F109 HydrophobicContact CG1-CD1 3.82Å; V44-F109 HydrophobicContact CG1-CE1 3.34Å; V44-F109 HydrophobicContact CG1-CZ 4.06Å; V44-F109 HydrophobicContact CG2-CD1 4.45Å; V44-F109 HydrophobicContact CG2-CE1 4.12Å; V44-F109 HydrophobicContact CG2-CZ 4.18Å; P105-F109 HydrophobicContact CB-CD2 4.17Å; P105-F109 HydrophobicContact CB-CE2 4.39Å; P105-F109 VanDerWaalsContact O-CB 3.26Å; P105-F109 WeakPolarHBondContact O-CB 3.49Å; P105-F109 WeakPolarHBondContact O-CD2 3.49Å; P105-F109 PolarHBondContact O-N 2.95Å; S107-F109 VanDerWaalsContact C-N 3.27Å; S107-F109 PolarHBondContact O-N 3.19Å; F109-N111 VanDerWaalsContact C-N 3.29Å; F109-L112 HydrophobicContact CB-CD1 4.04Å; F109-L112 HydrophobicContact CB-CG 4.22Å; F109-L112 VanDerWaalsContact O-CB 3.25Å; F109-L112 WeakPolarHBondContact O-CB 3.33Å; F109-L112 WeakPolarHBondContact O-CD1 3.31Å; F109-L112 WeakPolarHBondContact O-CG 3.5Å; F109-L112 PolarHBondContact O-N 3.13Å
110	S	50.1	Low	58.8	Low	72 Å²	72	69.4 Å²	69.4	50%	0.503	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-35.8	168.5	61.8	0	0	0	0	110.9	G106 S107 L112	G106-S110 VanDerWaalsContact O-CA 3.31Å; G106-S110 WeakPolarHBondContact O-CA 3.26Å; G106-S110 WeakPolarHBondContact O-CB 3.46Å; G106-S110 PolarHBondContact O-N 3.19Å; G106-S110 PolarHBondContact O-OG 3.27Å; S107-S110 WeakPolarHBondContact CA-OG 3.31Å; S107-S110 PolarHBondContact O-N 3.27Å; S107-S110 VanDerWaalsContact O-N 3.09Å; S107-S110 PolarHBondContact O-OG 3.11Å; S110-L112 PolarHBondContact O-N 3.04Å; S110-L112 VanDerWaalsContact O-N 3.16Å
111	N	46.4	Very low	59	Low	105 Å²	105	69.9 Å²	69.9	56%	0.561	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	36.7	171.8	-75.2	-18.1	0	0	0	112.8	S107 F109 S113 L114	S107-N111 PolarHBondContact O-N 3.42Å; F109-N111 VanDerWaalsContact C-N 3.29Å; N111-S113 PolarHBondContact O-N 3.31Å; N111-L114 PolarHBondContact O-N 3.47Å
112	L	50.4	Low	60	Low	10 Å²	10	70.9 Å²	70.9	5%	0.052	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	1.9	169.3	-99.3	163.5	0	0	0	114.1	R46 R61 H62 A63 F109 S110 L114	R46-L112 HydrophobicContact CB-CD1 4.42Å; R61-L112 HydrophobicContact CB-CB 4.06Å; H62-L112 VanDerWaalsContact C-CD2 3.48Å; A63-L112 HydrophobicContact CB-CD2 3.37Å; F109-L112 HydrophobicContact CB-CD1 4.04Å; F109-L112 HydrophobicContact CB-CG 4.22Å; F109-L112 VanDerWaalsContact O-CB 3.25Å; F109-L112 WeakPolarHBondContact O-CB 3.33Å; F109-L112 WeakPolarHBondContact O-CD1 3.31Å; F109-L112 WeakPolarHBondContact O-CG 3.5Å; F109-L112 PolarHBondContact O-N 3.13Å; S110-L112 PolarHBondContact O-N 3.04Å; S110-L112 VanDerWaalsContact O-N 3.16Å; L112-L114 VanDerWaalsContact C-N 3.31Å
113	S	44	Very low	61.6	Low	72 Å²	72	68.6 Å²	68.6	50%	0.503	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24	169.7	47.7	0	0	0	0	113.3	N111 N115	N111-S113 PolarHBondContact O-N 3.31Å; S113-N115 PolarHBondContact O-N 2.79Å
114	L	46.8	Very low	63.4	Low	133 Å²	133	66.3 Å²	66.3	70%	0.696	38%	0.378	S	S	*	.	S	Bend	trans	-88	99.8	171.2	-84.9	144	0	0	0	109.1	N111 L112 K116	N111-L114 PolarHBondContact O-N 3.47Å; L112-L114 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 3.46Å
115	N	55	Low	65	Low	117 Å²	117	66.5 Å²	66.5	63%	0.626	37%	0.371	S	S	*	.	S	Bend	trans	-55.9	2.8	-175	-79.3	-31.4	0	0	0	116.5	R64 S113	R64-N115 PolarHBondContact N-O 2.92Å; S113-N115 PolarHBondContact O-N 2.79Å
116	K	61.4	Low	66	Low	133 Å²	133	65.1 Å²	65.1	58%	0.578	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149	120.2	-176.1	-63.9	175	-174.1	173.5	0	110.5	R64 L66 L114	R64-K116 WeakPolarHBondContact O-CA 3.29Å; L66-K116 HydrophobicContact CD1-CB 3.98Å; L66-K116 HydrophobicContact CD1-CD 4.06Å; L66-K116 HydrophobicContact CD1-CG 4.13Å; L114-K116 PolarHBondContact O-N 3.46Å
117	G	67	Low	66.6	Low	12 Å²	12	66.4 Å²	66.4	12%	0.124	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.6	169.4	0	0	0	0	0	110.3	R64 I65 L66	R64-G117 PolarHBondContact O-N 3.16Å; I65-G117 WeakPolarHBondContact CA-O 3.42Å; L66-G117 PolarHBondContact N-O 2.95Å
118	A	78.9	Confident	67	Low	88 Å²	88	66.4 Å²	66.4	73%	0.727	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.6	175.2	0	0	0	0	0	109.9	L66	L66-A118 CarbonylContact O-C 3.49Å; L66-A118 WeakPolarHBondContact O-CA 3.43Å
119	C	86.1	Confident	67	Low	16 Å²	16	71.5 Å²	71.5	11%	0.108	40%	0.395	C	S	.	.			trans	-120.6	144.7	179	-70.7	0	0	0	0	108.9	I65 L66 F67 V98 Y99	I65-C119 HydrophobicContact CG2-CB 3.78Å; I65-C119 VanDerWaalsContact CG2-SG 3.54Å; L66-C119 PolarHBondContact O-N 3.41Å; F67-C119 WeakPolarHBondContact CA-O 3.38Å; F67-C119 HydrophobicContact CB-CB 4.49Å; F67-C119 WeakPolarHBondContact CB-O 3.37Å; V98-C119 HydrophobicContact CG1-CB 3.81Å; Y99-C119 VanDerWaalsContact O-CB 3.28Å; Y99-C119 WeakPolarHBondContact O-CB 3.46Å
120	K	89.9	Confident	66.8	Low	173 Å²	173	76 Å²	76	75%	0.752	43%	0.428	S	S	*	.			trans	-68.9	154.8	169	-67.6	-177.6	179.3	-179.6	0	108.5	Y99	Y99-K120 HydrophobicContact CD2-CB 3.8Å; Y99-K120 WeakPolarHBondContact CD2-O 3.3Å; Y99-K120 HydrophobicContact CG-CB 4.35Å; Y99-K120 PolarHBondContact N-O 2.98Å
121	S	92.1	Very high	66.9	Low	22 Å²	22	77.4 Å²	77.4	15%	0.154	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	155.7	174.6	53.5	0	0	0	0	110.8	G68 N69 V97	G68-S121 PolarHBondContact N-OG 3.35Å; G68-S121 VanDerWaalsContact N-OG 3.13Å; N69-S121 WeakPolarHBondContact CB-OG 3.37Å; N69-S121 PolarHBondContact N-OG 2.96Å; V97-S121 CarbonylContact O-C 3.53Å; V97-S121 WeakPolarHBondContact O-CA 3.49Å
122	M	92.6	Very high	67.3	Low	50 Å²	50	81.6 Å²	81.6	25%	0.246	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.7	179.9	-176.7	176	-77.2	0	0	109.7	N69 S96 V97 Y99 M124 A169	N69-M122 VanDerWaalsContact ND2-CA 3.35Å; N69-M122 WeakPolarHBondContact ND2-CA 3.29Å; S96-M122 WeakPolarHBondContact CA-O 3.44Å; V97-M122 PolarHBondContact N-O 3.13Å; V97-M122 PolarHBondContact O-N 2.95Å; Y99-M122 HydrophobicContact CE2-CB 4.19Å; M122-M124 HydrophobicContact CB-CE 3.87Å; M122-M124 HydrophobicContact CG-CE 3.68Å; M122-M124 HydrophobicContact SD-CE 3.72Å; M122-A169 HydrophobicContact CG-CB 4.08Å; M122-A169 HydrophobicContact SD-CB 3.87Å; M122-A169 PolarHBondContact SD-N 3.27Å
123	F	92	Very high	68.1	Low	69 Å²	69	85.2 Å²	85.2	30%	0.303	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.6	167	-79.5	-59.6	0	0	0	108	N69 V70 I95	N69-F123 HydrophobicContact CB-CD1 4.43Å; N69-F123 HydrophobicContact CB-CD2 3.56Å; N69-F123 HydrophobicContact CB-CE1 4.43Å; N69-F123 HydrophobicContact CB-CE2 3.56Å; N69-F123 HydrophobicContact CB-CG 4.01Å; N69-F123 HydrophobicContact CB-CZ 4.03Å; N69-F123 PolarHBondContact ND2-N 3.12Å; V70-F123 WeakPolarHBondContact O-CZ 2.94Å; I95-F123 WeakPolarHBondContact O-CA 3.15Å
124	M	89.6	Confident	69.6	Low	8 Å²	8	85.4 Å²	85.4	4%	0.039	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125	171.7	-56	-68.1	127.2	0	0	108	I95 V97 M122 Y164 F168 A169	I95-M124 HydrophobicContact CB-CB 4.06Å; I95-M124 HydrophobicContact CB-CG 4.17Å; I95-M124 HydrophobicContact CG2-CB 4.28Å; I95-M124 HydrophobicContact CG2-CG 3.83Å; I95-M124 PolarHBondContact O-N 2.86Å; V97-M124 HydrophobicContact CB-CE 3.83Å; V97-M124 HydrophobicContact CG2-CE 3.63Å; V97-M124 HydrophobicContact CG2-CG 4.02Å; V97-M124 HydrophobicContact CG2-SD 4.31Å; M122-M124 HydrophobicContact CB-CE 3.87Å; M122-M124 HydrophobicContact CG-CE 3.68Å; M122-M124 HydrophobicContact SD-CE 3.72Å; M124-Y164 HydrophobicContact CB-CD1 3.88Å; M124-Y164 HydrophobicContact CB-CE1 3.77Å; M124-Y164 HydrophobicContact CB-CG 4.39Å; M124-Y164 HydrophobicContact CG-CD1 4.16Å; M124-Y164 HydrophobicContact CG-CG 4.34Å; M124-Y164 HydrophobicContact SD-CD1 3.74Å; M124-Y164 HydrophobicContact SD-CG 4.03Å; M124-F168 VanDerWaalsContact SD-O 3.34Å; M124-A169 CarbonylContact C-O 3.54Å; M124-A169 WeakPolarHBondContact CA-O 3.49Å
125	E	80.5	Confident	71.3	Confident	78 Å²	78	79.6 Å²	79.6	36%	0.364	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-77.9	142.2	179.5	-69.8	-175.3	-155	0	0	110.4	G127 Y164 A169 F170	E125-G127 PolarHBondContact O-N 3.44Å; E125-Y164 WeakPolarHBondContact O-CE1 3.47Å; E125-Y164 PolarHBondContact O-OH 3.23Å; E125-A169 PolarHBondContact N-O 3.28Å; E125-F170 HydrophobicContact CB-CD1 4.31Å; E125-F170 HydrophobicContact CB-CE1 4.44Å; E125-F170 WeakPolarHBondContact OE2-CE1 3.38Å; E125-F170 VanDerWaalsContact OE2-CZ 3.29Å; E125-F170 WeakPolarHBondContact OE2-CZ 3.02Å
126	T	68.4	Low	72.9	Confident	32 Å²	32	78.5 Å²	78.5	20%	0.196	44%	0.437	C	S	.	.			trans	-69.3	-24.9	173.6	41.2	0	0	0	0	111.1	D128 Y137 K162	T126-D128 PolarHBondContact O-N 3.29Å; T126-Y137 HydrophobicContact CG2-CE2 4.09Å; T126-Y137 WeakPolarHBondContact CG2-OH 3.44Å; T126-K162 PolarHBondContact O-NZ 3.43Å
127	G	58.4	Low	74.2	Confident	48 Å²	48	72.8 Å²	72.8	50%	0.495	41%	0.412	S	S	.	.	S	Bend	trans	78.5	-1.3	-177.4	0	0	0	0	0	114.4	E125	E125-G127 PolarHBondContact O-N 3.44Å
128	D	55.4	Low	75.3	Confident	59 Å²	59	75.3 Å²	75.3	32%	0.316	42%	0.422	S	S	.	.			trans	-118.6	80.1	-178.4	-59.7	-48.8	0	0	0	108.6	T126 S130 K162	T126-D128 PolarHBondContact O-N 3.29Å; D128-S130 VanDerWaalsContact C-N 3.26Å; D128-K162 IonicContact OD2-NZ 3.58Å; D128-K162 PolarHBondContact OD2-NZ 3.26Å
129	E	48.2	Very low	75.9	Confident	190 Å²	190	71.5 Å²	71.5	89%	0.888	39%	0.39	S	S	*	.	S	Bend	trans	-79.4	-10.4	172.5	-70.4	-159.4	148.1	0	0	112.5
130	S	49.2	Very low	76.2	Confident	108 Å²	108	70.8 Å²	70.8	76%	0.755	39%	0.385	S	S	*	.	S	Bend	trans	-98.6	-10	-170.7	52.1	0	0	0	0	115.9	D128	D128-S130 VanDerWaalsContact C-N 3.26Å
131	D	52	Low	76.4	Confident	102 Å²	102	65.9 Å²	65.9	55%	0.545	36%	0.361	S	S	.	.			trans	-91.9	134.7	-174.8	-77.5	-15.1	0	0	0	112.8	S133	D131-S133 PolarHBondContact O-N 2.94Å
132	L	56.4	Low	76.6	Confident	194 Å²	194	65.6 Å²	65.6	100%	1.016	36%	0.357	S	S	*	.	S	Bend	trans	-57.4	-14.8	-178.5	-79.1	150.9	0	0	0	114.3
133	S	65.8	Low	76.7	Confident	86 Å²	86	63.3 Å²	63.3	60%	0.601	35%	0.345	S	S	*	.	S	Bend	trans	-136.7	126.8	173.8	60.1	0	0	0	0	110.4	D131 T135	D131-S133 PolarHBondContact O-N 2.94Å; S133-T135 PolarHBondContact O-N 3.45Å
134	P	75.2	Confident	76.6	Confident	75 Å²	75	62 Å²	62	49%	0.487	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64.5	130.6	179	26.1	-33.3	0	0	0	110.6	T93	T93-P134 HydrophobicContact CG2-CB 4.41Å; T93-P134 HydrophobicContact CG2-CG 4.32Å
135	T	82.8	Confident	76.6	Confident	12 Å²	12	63.5 Å²	63.5	7%	0.074	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-53.9	136.7	173.6	-38.8	0	0	0	0	110.4	S133 C156 D157	S133-T135 PolarHBondContact O-N 3.45Å; T135-C156 HydrophobicContact CG2-CB 3.58Å; T135-D157 WeakPolarHBondContact CG2-OD1 3.48Å
136	K	88.3	Confident	76.9	Confident	93 Å²	93	61.7 Å²	61.7	40%	0.404	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-100.2	136.9	-179.5	-58.8	-176.7	179.8	-168	0	112.1	E92 C156 D157	E92-K136 CarbonylContact O-C 3.5Å; E92-K136 WeakPolarHBondContact O-CA 3.18Å; E92-K136 WeakPolarHBondContact O-CB 3.22Å; E92-K136 IonicContact OE2-NZ 3.6Å; K136-C156 CarbonylContact O-C 3.58Å; K136-C156 VanDerWaalsContact O-CA 3.24Å; K136-C156 WeakPolarHBondContact O-CA 3.32Å; K136-D157 HydrophobicContact CB-CB 4.22Å; K136-D157 WeakPolarHBondContact CB-OD2 3.27Å; K136-D157 PolarHBondContact N-OD1 2.86Å; K136-D157 PolarHBondContact O-N 2.88Å
137	Y	90.3	Very high	77.8	Confident	13 Å²	13	64.3 Å²	64.3	5%	0.051	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122.9	172.2	-60.1	-63.2	0	0	0	110.6	E92 T93 I95 T126 A154 Y164	E92-Y137 PolarHBondContact O-N 3.45Å; T93-Y137 VanDerWaalsContact C-CE2 3.43Å; T93-Y137 WeakPolarHBondContact O-CE2 3.43Å; I95-Y137 HydrophobicContact CD1-CD1 3.83Å; I95-Y137 HydrophobicContact CD1-CD2 4Å; I95-Y137 HydrophobicContact CD1-CE1 3.64Å; I95-Y137 HydrophobicContact CD1-CE2 3.83Å; I95-Y137 HydrophobicContact CD1-CG 3.99Å; I95-Y137 HydrophobicContact CG1-CD2 3.81Å; I95-Y137 HydrophobicContact CG1-CE1 4.43Å; I95-Y137 HydrophobicContact CG1-CE2 3.7Å; I95-Y137 HydrophobicContact CG1-CG 4.22Å; T126-Y137 HydrophobicContact CG2-CE2 4.09Å; T126-Y137 WeakPolarHBondContact CG2-OH 3.44Å; Y137-A154 HydrophobicContact CD1-CB 3.89Å; Y137-A154 HydrophobicContact CE1-CB 3.97Å; Y137-Y164 PolarHBondContact OH-OH 2.72Å
138	L	89	Confident	79.1	Confident	65 Å²	65	68.6 Å²	68.6	34%	0.34	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-40.3	177.4	-65.4	-175.8	0	0	0	112.7	L155 D157	L138-L155 HydrophobicContact CB-CD2 4.46Å; L138-L155 HydrophobicContact CB-CG 4.44Å; L138-L155 HydrophobicContact CD1-CD2 4.49Å; L138-L155 PolarHBondContact N-O 3.19Å; L138-D157 HydrophobicContact CD1-CB 4.38Å; L138-D157 HydrophobicContact CD2-CB 4.05Å; L138-D157 HydrophobicContact CG-CB 4.12Å
139	L	90.7	Very high	80.6	Confident	9 Å²	9	67.1 Å²	67.1	5%	0.047	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	139.1	-177.2	-179.9	66.7	0	0	0	110	R141 L155 K201 F202	L139-R141 HydrophobicContact CD2-CG 4.44Å; L139-R141 HydrophobicContact CG-CG 4.37Å; L139-L155 HydrophobicContact CB-CB 4.43Å; L139-L155 PolarHBondContact N-O 3.03Å; L139-L155 PolarHBondContact O-N 3.43Å; L139-K201 HydrophobicContact CD2-CB 4.46Å; L139-K201 HydrophobicContact CD2-CD 3.99Å; L139-F202 HydrophobicContact CB-CE1 4.32Å; L139-F202 HydrophobicContact CD2-CD1 3.76Å; L139-F202 HydrophobicContact CD2-CE1 3.94Å; L139-F202 HydrophobicContact CD2-CG 4.41Å; L139-F202 HydrophobicContact CG-CD1 4.32Å; L139-F202 HydrophobicContact CG-CE1 4.04Å
140	V	93.9	Very high	82.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.3	173.6	173.9	0	0	0	0	109.9	Q77 V90 I95 L152 F153 A154	Q77-V140 PolarHBondContact NE2-O 2.89Å; V90-V140 HydrophobicContact CB-CG2 4.35Å; V90-V140 HydrophobicContact CG1-CB 4.39Å; V90-V140 HydrophobicContact CG1-CG2 3.66Å; V90-V140 HydrophobicContact CG2-CB 3.83Å; V90-V140 HydrophobicContact CG2-CG1 4.01Å; V90-V140 HydrophobicContact CG2-CG2 3.79Å; I95-V140 HydrophobicContact CD1-CG2 3.76Å; I95-V140 HydrophobicContact CG1-CG2 4.32Å; V140-L152 HydrophobicContact CG1-CD1 3.36Å; V140-L152 HydrophobicContact CG1-CD2 3.73Å; V140-L152 HydrophobicContact CG1-CG 3.52Å; V140-F153 CarbonylContact C-O 3.46Å; V140-F153 VanDerWaalsContact CA-O 3.26Å; V140-F153 WeakPolarHBondContact CA-O 2.98Å; V140-A154 HydrophobicContact CG2-CB 3.93Å
141	R	94.3	Very high	85	Confident	71 Å²	71	53.9 Å²	53.9	27%	0.268	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.8	173.8	-64.7	-67.9	-172.7	-167.6	1	110.7	E79 L139 F153 F202 F204	E79-R141 IonicContact OE1-CZ 2.59Å; E79-R141 IonicContact OE1-NH1 2.75Å; E79-R141 PolarHBondContact OE1-NH1 2.8Å; E79-R141 IonicContact OE2-NH1 3.03Å; E79-R141 PolarHBondContact OE2-NH1 2.77Å; L139-R141 HydrophobicContact CD2-CG 4.44Å; L139-R141 HydrophobicContact CG-CG 4.37Å; R141-F153 PolarHBondContact N-O 2.81Å; R141-F153 PolarHBondContact O-N 2.79Å; R141-F202 HydrophobicContact CB-CE2 3.74Å; R141-F202 HydrophobicContact CB-CZ 3.63Å; R141-F202 HydrophobicContact CG-CE1 4.44Å; R141-F202 HydrophobicContact CG-CE2 3.93Å; R141-F202 HydrophobicContact CG-CZ 3.77Å; R141-F204 HydrophobicContact CB-CE2 3.97Å
142	W	94.9	Very high	87	Confident	15 Å²	15	49 Å²	49	6%	0.057	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	142.1	168.9	-68.4	103.5	0	0	0	110.4	E79 I80 D81 C86 A88 V97 F151 L152 F204	E79-W142 PolarHBondContact O-NE1 2.91Å; I80-W142 VanDerWaalsContact O-CD1 3.28Å; D81-W142 HydrophobicContact CB-CB 4.31Å; D81-W142 HydrophobicContact CB-CD2 3.52Å; D81-W142 HydrophobicContact CB-CE3 3.86Å; D81-W142 HydrophobicContact CB-CG 3.72Å; D81-W142 HydrophobicContact CB-CZ2 4.39Å; D81-W142 HydrophobicContact CB-CZ3 4.45Å; C86-W142 HydrophobicContact CB-CH2 3.5Å; C86-W142 VanDerWaalsContact CB-CH2 3.5Å; C86-W142 HydrophobicContact CB-CZ2 3.65Å; C86-W142 HydrophobicContact CB-CZ3 4.22Å; A88-W142 HydrophobicContact CB-CZ2 3.78Å; V97-W142 HydrophobicContact CG1-CH2 3.9Å; V97-W142 HydrophobicContact CG1-CZ2 4.37Å; V97-W142 HydrophobicContact CG2-CH2 4.25Å; W142-F151 VanDerWaalsContact CE3-O 3.32Å; W142-L152 HydrophobicContact CD2-CD1 3.43Å; W142-L152 VanDerWaalsContact CD2-CD1 3.43Å; W142-L152 HydrophobicContact CE3-CB 4.02Å; W142-L152 HydrophobicContact CE3-CD1 3.69Å; W142-L152 HydrophobicContact CG-CD1 3.9Å; W142-L152 HydrophobicContact CH2-CB 4.34Å; W142-L152 HydrophobicContact CH2-CD1 4.05Å; W142-L152 HydrophobicContact CZ2-CD1 3.85Å; W142-L152 HydrophobicContact CZ3-CB 3.85Å; W142-L152 HydrophobicContact CZ3-CD1 3.98Å; W142-L152 HydrophobicContact CZ3-CG 4.48Å; W142-F204 WeakPolarHBondContact O-CE2 3.31Å
143	Y	94.5	Very high	88.9	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	22%	0.224	C	C	.	.			trans	-63.8	133	169.6	-174.1	-113.1	0	0	0	109.2	D145 F151 F153 F204 W220 V238	Y143-D145 VanDerWaalsContact C-N 3.32Å; Y143-D145 HydrophobicContact CD1-CB 4.07Å; Y143-D145 VanDerWaalsContact CD1-O 3.26Å; Y143-D145 WeakPolarHBondContact CD1-O 3.48Å; Y143-D145 HydrophobicContact CE1-CB 3.65Å; Y143-D145 PolarHBondContact O-N 2.94Å; Y143-F151 WeakPolarHBondContact CB-O 3.07Å; Y143-F151 HydrophobicContact CD1-CD2 4.43Å; Y143-F151 HydrophobicContact CG-CB 4.43Å; Y143-F151 PolarHBondContact N-O 3.38Å; Y143-F153 AromaticContact CD2-CE2 3.81Å; Y143-F153 HydrophobicContact CD2-CE2 3.81Å; Y143-F153 HydrophobicContact CD2-CZ 4.24Å; Y143-F153 HydrophobicContact CG-CE2 4.23Å; Y143-F204 HydrophobicContact CD2-CD1 4.46Å; Y143-F204 AromaticContact CD2-CE1 3.73Å; Y143-F204 HydrophobicContact CD2-CE1 3.73Å; Y143-F204 HydrophobicContact CD2-CZ 4.06Å; Y143-F204 HydrophobicContact CE2-CE1 4.28Å; Y143-W220 HydrophobicContact CE2-CB 3.8Å; Y143-W220 AromaticContact CE2-CD1 3.87Å; Y143-W220 AromaticContact CE2-CG 3.78Å; Y143-W220 HydrophobicContact CE2-CG 3.78Å; Y143-W220 AromaticContact CZ-CD1 3.43Å; Y143-W220 VanDerWaalsContact CZ-CD1 3.43Å; Y143-W220 AromaticContact CZ-CG 3.83Å; Y143-W220 AromaticContact CZ-NE1 3.93Å; Y143-V238 HydrophobicContact CD1-CG2 3.74Å; Y143-V238 HydrophobicContact CD2-CG1 4.07Å; Y143-V238 HydrophobicContact CE1-CG2 3.37Å; Y143-V238 HydrophobicContact CE2-CG1 3.99Å; Y143-V238 HydrophobicContact CE2-CG2 4.26Å; Y143-V238 HydrophobicContact CG-CG1 4.35Å; Y143-V238 HydrophobicContact CG-CG2 4.31Å
144	P	91.4	Very high	90.3	Very high	42 Å²	42	35.7 Å²	35.7	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-66.6	-29.1	-170.4	-27.7	38.5	0	0	0	114.9	P82 F204 W220	P82-P144 WeakPolarHBondContact CG-O 3.2Å; P144-F204 HydrophobicContact CG-CB 3.67Å; P144-F204 HydrophobicContact CG-CD1 4.19Å; P144-F204 HydrophobicContact CG-CD2 3.9Å; P144-F204 HydrophobicContact CG-CG 3.67Å; P144-W220 HydrophobicContact CB-CD2 4.35Å; P144-W220 HydrophobicContact CB-CE3 3.93Å; P144-W220 HydrophobicContact CB-CH2 3.34Å; P144-W220 HydrophobicContact CB-CZ2 3.77Å; P144-W220 HydrophobicContact CB-CZ3 3.43Å; P144-W220 VanDerWaalsContact CB-CZ3 3.43Å; P144-W220 HydrophobicContact CG-CD2 4.25Å; P144-W220 HydrophobicContact CG-CE3 3.61Å; P144-W220 HydrophobicContact CG-CH2 3.96Å; P144-W220 HydrophobicContact CG-CZ3 3.47Å; P144-W220 VanDerWaalsContact CG-CZ3 3.47Å
145	D	90	Very high	91.2	Very high	39 Å²	39	32.1 Å²	32.1	21%	0.209	17%	0.173	C	C	.	.			trans	-91.2	108.9	178.5	166.6	34.7	0	0	0	111.4	Y143 S147 W220 H239	Y143-D145 VanDerWaalsContact C-N 3.32Å; Y143-D145 HydrophobicContact CD1-CB 4.07Å; Y143-D145 VanDerWaalsContact CD1-O 3.26Å; Y143-D145 WeakPolarHBondContact CD1-O 3.48Å; Y143-D145 HydrophobicContact CE1-CB 3.65Å; Y143-D145 PolarHBondContact O-N 2.94Å; D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.35Å; D145-S147 PolarHBondContact OD1-N 3.25Å; D145-S147 PolarHBondContact OD1-OG 2.94Å; D145-S147 PolarHBondContact OD2-OG 3.39Å; D145-W220 HydrophobicContact CB-CZ2 4.36Å; D145-H239 IonicContact OD2-CD2 2.83Å; D145-H239 IonicContact OD2-CE1 3.02Å; D145-H239 IonicContact OD2-NE2 3.76Å; D145-H239 PolarHBondContact OD2-NE2 2.87Å
146	S	86.3	Confident	91.6	Very high	40 Å²	40	31.6 Å²	31.6	28%	0.28	17%	0.169	S	C	.	.			trans	-94	6.8	178.1	58.4	0	0	0	0	114.2	K148 G149	S146-K148 VanDerWaalsContact C-N 3.33Å; S146-K148 PolarHBondContact O-N 3.16Å; S146-G149 PolarHBondContact O-N 3.23Å; S146-G149 VanDerWaalsContact O-N 3.14Å
147	S	86	Confident	91.6	Very high	88 Å²	88	30.2 Å²	30.2	62%	0.615	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.2	-171.7	60.5	0	0	0	0	114.5	D145	D145-S147 VanDerWaalsContact CG-OG 3.27Å; D145-S147 WeakPolarHBondContact OD1-CB 3.35Å; D145-S147 PolarHBondContact OD1-N 3.25Å; D145-S147 PolarHBondContact OD1-OG 2.94Å; D145-S147 PolarHBondContact OD2-OG 3.39Å
148	K	85.8	Confident	91.4	Very high	138 Å²	138	32 Å²	32	60%	0.6	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	21.1	177.6	-51.9	-174.9	-177.2	171.3	0	113.2	S146 H239	S146-K148 VanDerWaalsContact C-N 3.33Å; S146-K148 PolarHBondContact O-N 3.16Å; K148-H239 HydrophobicContact CD-CB 4.21Å
149	G	88.7	Confident	91.2	Very high	27 Å²	27	29 Å²	29	28%	0.278	16%	0.161	S	C	.	.			trans	109.7	170.9	-178	0	0	0	0	0	113.4	S146 F151	S146-G149 PolarHBondContact O-N 3.23Å; S146-G149 VanDerWaalsContact O-N 3.14Å; G149-F151 VanDerWaalsContact O-CD2 3.27Å; G149-F151 WeakPolarHBondContact O-CD2 3.49Å; G149-F151 WeakPolarHBondContact O-CE2 3.37Å
150	S	93	Very high	91.2	Very high	10 Å²	10	29 Å²	29	7%	0.07	16%	0.162	C	C	.	.			trans	-90.6	121.2	-174	-39.9	0	0	0	0	110.7	D81 S166	D81-S150 WeakPolarHBondContact OD2-CB 3.29Å; D81-S150 PolarHBondContact OD2-OG 3.45Å; S150-S166 WeakPolarHBondContact O-CB 3.37Å; S150-S166 PolarHBondContact O-N 2.96Å; S150-S166 PolarHBondContact O-OG 3.22Å
151	F	95	Very high	91.2	Very high	10 Å²	10	29 Å²	29	4%	0.044	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.9	176.5	-61.5	-94.6	0	0	0	110.2	W142 Y143 G149 Y164 K165 V238 H239	W142-F151 VanDerWaalsContact CE3-O 3.32Å; Y143-F151 WeakPolarHBondContact CB-O 3.07Å; Y143-F151 HydrophobicContact CD1-CD2 4.43Å; Y143-F151 HydrophobicContact CG-CB 4.43Å; Y143-F151 PolarHBondContact N-O 3.38Å; G149-F151 VanDerWaalsContact O-CD2 3.27Å; G149-F151 WeakPolarHBondContact O-CD2 3.49Å; G149-F151 WeakPolarHBondContact O-CE2 3.37Å; F151-Y164 CarbonylContact C-O 3.56Å; F151-Y164 VanDerWaalsContact CA-O 3.27Å; F151-Y164 WeakPolarHBondContact CA-O 3.33Å; F151-K165 HydrophobicContact CD1-CB 3.98Å; F151-K165 HydrophobicContact CD1-CG 4.15Å; F151-K165 HydrophobicContact CE1-CB 3.96Å; F151-K165 HydrophobicContact CE1-CD 4.05Å; F151-K165 HydrophobicContact CE1-CG 3.86Å; F151-K165 HydrophobicContact CZ-CD 4.33Å; F151-K165 HydrophobicContact CZ-CG 4.35Å; F151-V238 HydrophobicContact CD1-CB 4.18Å; F151-V238 HydrophobicContact CD1-CG2 4.33Å; F151-V238 HydrophobicContact CD2-CG2 3.8Å; F151-V238 HydrophobicContact CE1-CB 4.36Å; F151-V238 HydrophobicContact CE1-CG2 4.43Å; F151-V238 HydrophobicContact CE2-CG2 3.94Å; F151-V238 HydrophobicContact CG-CB 4.25Å; F151-V238 HydrophobicContact CG-CG2 4.01Å; F151-V238 HydrophobicContact CZ-CG2 4.24Å; F151-H239 AromaticContact CE2-CE1 3.74Å; F151-H239 AromaticContact CE2-ND1 3.8Å
152	L	95.5	Very high	91.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	-175.7	-167.9	73.3	0	0	0	109.7	A88 I95 V97 V140 W142 V163 Y164	A88-L152 HydrophobicContact CB-CD1 4.19Å; A88-L152 HydrophobicContact CB-CD2 4.27Å; I95-L152 HydrophobicContact CG2-CD2 3.73Å; V97-L152 HydrophobicContact CG2-CD2 4.23Å; V140-L152 HydrophobicContact CG1-CD1 3.36Å; V140-L152 HydrophobicContact CG1-CD2 3.73Å; V140-L152 HydrophobicContact CG1-CG 3.52Å; W142-L152 HydrophobicContact CD2-CD1 3.43Å; W142-L152 VanDerWaalsContact CD2-CD1 3.43Å; W142-L152 HydrophobicContact CE3-CB 4.02Å; W142-L152 HydrophobicContact CE3-CD1 3.69Å; W142-L152 HydrophobicContact CG-CD1 3.9Å; W142-L152 HydrophobicContact CH2-CB 4.34Å; W142-L152 HydrophobicContact CH2-CD1 4.05Å; W142-L152 HydrophobicContact CZ2-CD1 3.85Å; W142-L152 HydrophobicContact CZ3-CB 3.85Å; W142-L152 HydrophobicContact CZ3-CD1 3.98Å; W142-L152 HydrophobicContact CZ3-CG 4.48Å; L152-V163 CarbonylContact O-C 3.56Å; L152-V163 WeakPolarHBondContact O-CA 3.47Å; L152-Y164 PolarHBondContact N-O 2.88Å; L152-Y164 PolarHBondContact O-N 3.2Å
153	F	96.3	Very high	91.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125	175.7	-78.5	-117.5	0	0	0	108.4	V140 R141 Y143 L161 K162 V163 F202 F204 V236 V238	V140-F153 CarbonylContact C-O 3.46Å; V140-F153 VanDerWaalsContact CA-O 3.26Å; V140-F153 WeakPolarHBondContact CA-O 2.98Å; R141-F153 PolarHBondContact N-O 2.81Å; R141-F153 PolarHBondContact O-N 2.79Å; Y143-F153 AromaticContact CD2-CE2 3.81Å; Y143-F153 HydrophobicContact CD2-CE2 3.81Å; Y143-F153 HydrophobicContact CD2-CZ 4.24Å; Y143-F153 HydrophobicContact CG-CE2 4.23Å; F153-L161 HydrophobicContact CB-CD1 4.27Å; F153-L161 HydrophobicContact CD1-CD1 4.19Å; F153-L161 HydrophobicContact CD1-CD2 3.86Å; F153-L161 HydrophobicContact CD1-CG 3.95Å; F153-L161 HydrophobicContact CE1-CD2 4.32Å; F153-K162 WeakPolarHBondContact CA-O 3.07Å; F153-V163 HydrophobicContact CD1-CG2 3.82Å; F153-V163 HydrophobicContact CD2-CG1 4.26Å; F153-V163 HydrophobicContact CE1-CG1 4.45Å; F153-V163 HydrophobicContact CE1-CG2 3.51Å; F153-V163 HydrophobicContact CE2-CG1 3.74Å; F153-V163 HydrophobicContact CE2-CG2 4.27Å; F153-V163 HydrophobicContact CG-CG2 4.32Å; F153-V163 HydrophobicContact CZ-CB 4.46Å; F153-V163 HydrophobicContact CZ-CG1 3.84Å; F153-V163 HydrophobicContact CZ-CG2 3.74Å; F153-F202 HydrophobicContact CB-CE2 3.91Å; F153-F202 HydrophobicContact CB-CZ 3.62Å; F153-F204 HydrophobicContact CB-CZ 4.28Å; F153-F204 HydrophobicContact CD1-CZ 4.17Å; F153-F204 AromaticContact CD2-CZ 3.79Å; F153-F204 HydrophobicContact CD2-CZ 3.79Å; F153-F204 HydrophobicContact CE1-CZ 4.49Å; F153-F204 HydrophobicContact CE2-CZ 4.15Å; F153-F204 AromaticContact CG-CZ 3.82Å; F153-F204 HydrophobicContact CG-CZ 3.82Å; F153-F204 HydrophobicContact CZ-CZ 4.49Å; F153-V236 HydrophobicContact CE1-CG1 4.14Å; F153-V236 HydrophobicContact CE1-CG2 4.41Å; F153-V236 HydrophobicContact CZ-CG1 3.74Å; F153-V238 HydrophobicContact CE2-CG1 3.66Å; F153-V238 HydrophobicContact CZ-CG1 3.53Å
154	A	95.2	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.8	177.4	0	0	0	0	0	109.5	I95 Y137 V140 L161 K162 Y164	I95-A154 HydrophobicContact CD1-CB 3.75Å; Y137-A154 HydrophobicContact CD1-CB 3.89Å; Y137-A154 HydrophobicContact CE1-CB 3.97Å; V140-A154 HydrophobicContact CG2-CB 3.93Å; A154-L161 WeakPolarHBondContact O-CA 3.25Å; A154-K162 PolarHBondContact N-O 3Å; A154-K162 PolarHBondContact O-N 2.99Å; A154-Y164 HydrophobicContact CB-CD2 4.49Å; A154-Y164 HydrophobicContact CB-CE2 4.03Å
155	L	93.8	Very high	91.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.6	171.4	177.5	68.1	0	0	0	108.9	L138 L139 L161 L177 I199 K200 F202	L138-L155 HydrophobicContact CB-CD2 4.46Å; L138-L155 HydrophobicContact CB-CG 4.44Å; L138-L155 HydrophobicContact CD1-CD2 4.49Å; L138-L155 PolarHBondContact N-O 3.19Å; L139-L155 HydrophobicContact CB-CB 4.43Å; L139-L155 PolarHBondContact N-O 3.03Å; L139-L155 PolarHBondContact O-N 3.43Å; L155-L161 HydrophobicContact CB-CD1 4.21Å; L155-L177 HydrophobicContact CD1-CD1 3.85Å; L155-I199 HydrophobicContact CD1-CB 4.28Å; L155-I199 HydrophobicContact CD1-CG2 4.02Å; L155-I199 HydrophobicContact CD2-CG2 3.98Å; L155-K200 WeakPolarHBondContact CD2-O 3.19Å; L155-F202 HydrophobicContact CB-CD1 3.79Å; L155-F202 HydrophobicContact CB-CE1 3.83Å; L155-F202 HydrophobicContact CD2-CD1 4.23Å
156	C	91.7	Very high	91.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	162.9	180	-66.4	0	0	0	0	112	T135 K136 D158 S159 T160	T135-C156 HydrophobicContact CG2-CB 3.58Å; K136-C156 CarbonylContact O-C 3.58Å; K136-C156 VanDerWaalsContact O-CA 3.24Å; K136-C156 WeakPolarHBondContact O-CA 3.32Å; C156-D158 VanDerWaalsContact C-N 3.25Å; C156-D158 WeakPolarHBondContact CB-OD1 3.26Å; C156-D158 PolarHBondContact O-N 3.06Å; C156-S159 PolarHBondContact O-N 2.96Å; C156-T160 WeakPolarHBondContact CB-OG1 3.45Å; C156-T160 PolarHBondContact N-O 3.22Å
157	D	87.4	Confident	91.3	Very high	65 Å²	65	25.7 Å²	25.7	35%	0.348	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.8	-179.7	63	-22.1	0	0	0	114.6	T135 K136 L138 S159	T135-D157 WeakPolarHBondContact CG2-OD1 3.48Å; K136-D157 HydrophobicContact CB-CB 4.22Å; K136-D157 WeakPolarHBondContact CB-OD2 3.27Å; K136-D157 PolarHBondContact N-OD1 2.86Å; K136-D157 PolarHBondContact O-N 2.88Å; L138-D157 HydrophobicContact CD1-CB 4.38Å; L138-D157 HydrophobicContact CD2-CB 4.05Å; L138-D157 HydrophobicContact CG-CB 4.12Å; D157-S159 PolarHBondContact O-N 2.82Å
158	D	85	Confident	91.4	Very high	51 Å²	51	26.7 Å²	26.7	27%	0.273	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.3	172.1	66.9	-5	0	0	0	114.1	C156 T160 N178	C156-D158 VanDerWaalsContact C-N 3.25Å; C156-D158 WeakPolarHBondContact CB-OD1 3.26Å; C156-D158 PolarHBondContact O-N 3.06Å; D158-T160 VanDerWaalsContact C-N 3.3Å; D158-T160 VanDerWaalsContact OD1-CB 3.3Å; D158-T160 WeakPolarHBondContact OD1-CB 3.2Å; D158-T160 WeakPolarHBondContact OD1-CG2 3.35Å; D158-T160 PolarHBondContact OD1-N 2.81Å; D158-T160 PolarHBondContact OD1-OG1 2.88Å; D158-T160 WeakPolarHBondContact OD2-CG2 3.35Å; D158-T160 PolarHBondContact OD2-OG1 2.86Å; D158-N178 PolarHBondContact O-ND2 2.77Å
159	S	86.8	Confident	91.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	61.4	30.2	-170.3	-65.7	0	0	0	0	113.9	C156 D157 L177 N178 F198 I199	C156-S159 PolarHBondContact O-N 2.96Å; D157-S159 PolarHBondContact O-N 2.82Å; S159-L177 WeakPolarHBondContact O-CA 3.43Å; S159-L177 WeakPolarHBondContact O-CB 3.41Å; S159-L177 WeakPolarHBondContact O-CG 3.39Å; S159-L177 PolarHBondContact O-N 3.37Å; S159-N178 VanDerWaalsContact CB-OD1 3.26Å; S159-N178 WeakPolarHBondContact CB-OD1 3.4Å; S159-N178 PolarHBondContact OG-OD1 3.12Å; S159-F198 VanDerWaalsContact OG-CA 3.27Å; S159-F198 WeakPolarHBondContact OG-CA 3.36Å; S159-F198 WeakPolarHBondContact OG-CB 3.15Å; S159-F198 WeakPolarHBondContact OG-CD1 2.91Å; S159-I199 PolarHBondContact OG-N 3.36Å; S159-I199 VanDerWaalsContact OG-N 3.07Å
160	T	90.1	Very high	91.6	Very high	11 Å²	11	25.7 Å²	25.7	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.1	165.5	64.2	0	0	0	0	111.1	C156 D158 V174 I175	C156-T160 WeakPolarHBondContact CB-OG1 3.45Å; C156-T160 PolarHBondContact N-O 3.22Å; D158-T160 VanDerWaalsContact C-N 3.3Å; D158-T160 VanDerWaalsContact OD1-CB 3.3Å; D158-T160 WeakPolarHBondContact OD1-CB 3.2Å; D158-T160 WeakPolarHBondContact OD1-CG2 3.35Å; D158-T160 PolarHBondContact OD1-N 2.81Å; D158-T160 PolarHBondContact OD1-OG1 2.88Å; D158-T160 WeakPolarHBondContact OD2-CG2 3.35Å; D158-T160 PolarHBondContact OD2-OG1 2.86Å; T160-V174 HydrophobicContact CG2-CG1 4.37Å; T160-I175 WeakPolarHBondContact CA-O 3.19Å
161	L	92.7	Very high	91.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	104.1	171.6	-171.6	64.5	0	0	0	108.2	F153 A154 L155 I175 L177 F202	F153-L161 HydrophobicContact CB-CD1 4.27Å; F153-L161 HydrophobicContact CD1-CD1 4.19Å; F153-L161 HydrophobicContact CD1-CD2 3.86Å; F153-L161 HydrophobicContact CD1-CG 3.95Å; F153-L161 HydrophobicContact CE1-CD2 4.32Å; A154-L161 WeakPolarHBondContact O-CA 3.25Å; L155-L161 HydrophobicContact CB-CD1 4.21Å; L161-I175 HydrophobicContact CB-CB 4.27Å; L161-I175 HydrophobicContact CD2-CD1 4.29Å; L161-I175 PolarHBondContact N-O 3.2Å; L161-I175 PolarHBondContact O-N 3.03Å; L161-L177 HydrophobicContact CB-CD1 4.04Å; L161-L177 HydrophobicContact CB-CD2 4.36Å; L161-L177 HydrophobicContact CB-CG 4.29Å; L161-F202 HydrophobicContact CD1-CD1 4.24Å; L161-F202 HydrophobicContact CD1-CE1 4.07Å; L161-F202 HydrophobicContact CD1-CZ 4.34Å
162	K	93.3	Very high	91.3	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.2	179.9	-61.1	-174.7	177.6	-179.3	0	108.8	T126 D128 F153 A154 Y164 P171 V174	T126-K162 PolarHBondContact O-NZ 3.43Å; D128-K162 IonicContact OD2-NZ 3.58Å; D128-K162 PolarHBondContact OD2-NZ 3.26Å; F153-K162 WeakPolarHBondContact CA-O 3.07Å; A154-K162 PolarHBondContact N-O 3Å; A154-K162 PolarHBondContact O-N 2.99Å; K162-Y164 HydrophobicContact CB-CD2 4.4Å; K162-Y164 HydrophobicContact CB-CE2 3.54Å; K162-P171 HydrophobicContact CB-CB 4.36Å; K162-V174 HydrophobicContact CG-CG1 4.14Å; K162-V174 HydrophobicContact CG-CG2 4.17Å
163	V	94.4	Very high	91	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.1	-178.9	-176.4	0	0	0	0	108.7	L152 F153 P171 L172 N173 I175 V238 F243	L152-V163 CarbonylContact O-C 3.56Å; L152-V163 WeakPolarHBondContact O-CA 3.47Å; F153-V163 HydrophobicContact CD1-CG2 3.82Å; F153-V163 HydrophobicContact CD2-CG1 4.26Å; F153-V163 HydrophobicContact CE1-CG1 4.45Å; F153-V163 HydrophobicContact CE1-CG2 3.51Å; F153-V163 HydrophobicContact CE2-CG1 3.74Å; F153-V163 HydrophobicContact CE2-CG2 4.27Å; F153-V163 HydrophobicContact CG-CG2 4.32Å; F153-V163 HydrophobicContact CZ-CB 4.46Å; F153-V163 HydrophobicContact CZ-CG1 3.84Å; F153-V163 HydrophobicContact CZ-CG2 3.74Å; V163-P171 CarbonylContact O-C 3.5Å; V163-L172 WeakPolarHBondContact O-CA 3.26Å; V163-L172 VanDerWaalsContact O-CB 3.32Å; V163-L172 WeakPolarHBondContact O-CB 3.27Å; V163-L172 PolarHBondContact O-N 3.38Å; V163-N173 HydrophobicContact CB-CB 4.44Å; V163-N173 PolarHBondContact N-O 2.92Å; V163-N173 PolarHBondContact O-N 2.94Å; V163-I175 HydrophobicContact CG2-CD1 4.12Å; V163-V238 HydrophobicContact CG1-CG1 4.29Å; V163-F243 HydrophobicContact CG2-CE1 3.98Å; V163-F243 HydrophobicContact CG2-CZ 4.33Å
164	Y	94.1	Very high	90.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.7	178.3	-59.6	-92.8	0	0	0	109.9	M124 E125 Y137 F151 L152 A154 K162 P171	M124-Y164 HydrophobicContact CB-CD1 3.88Å; M124-Y164 HydrophobicContact CB-CE1 3.77Å; M124-Y164 HydrophobicContact CB-CG 4.39Å; M124-Y164 HydrophobicContact CG-CD1 4.16Å; M124-Y164 HydrophobicContact CG-CG 4.34Å; M124-Y164 HydrophobicContact SD-CD1 3.74Å; M124-Y164 HydrophobicContact SD-CG 4.03Å; E125-Y164 WeakPolarHBondContact O-CE1 3.47Å; E125-Y164 PolarHBondContact O-OH 3.23Å; Y137-Y164 PolarHBondContact OH-OH 2.72Å; F151-Y164 CarbonylContact C-O 3.56Å; F151-Y164 VanDerWaalsContact CA-O 3.27Å; F151-Y164 WeakPolarHBondContact CA-O 3.33Å; L152-Y164 PolarHBondContact N-O 2.88Å; L152-Y164 PolarHBondContact O-N 3.2Å; A154-Y164 HydrophobicContact CB-CD2 4.49Å; A154-Y164 HydrophobicContact CB-CE2 4.03Å; K162-Y164 HydrophobicContact CB-CD2 4.4Å; K162-Y164 HydrophobicContact CB-CE2 3.54Å; Y164-P171 HydrophobicContact CD1-CB 4.14Å; Y164-P171 HydrophobicContact CE1-CB 3.72Å; Y164-P171 HydrophobicContact CE1-CG 4.19Å
165	K	93	Very high	90.4	Very high	61 Å²	61	34 Å²	34	27%	0.265	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132	159.8	-174.5	179.7	179.6	178	0	106.2	F151 T167 F168	F151-K165 HydrophobicContact CD1-CB 3.98Å; F151-K165 HydrophobicContact CD1-CG 4.15Å; F151-K165 HydrophobicContact CE1-CB 3.96Å; F151-K165 HydrophobicContact CE1-CD 4.05Å; F151-K165 HydrophobicContact CE1-CG 3.86Å; F151-K165 HydrophobicContact CZ-CD 4.33Å; F151-K165 HydrophobicContact CZ-CG 4.35Å; K165-T167 WeakPolarHBondContact CD-OG1 3.3Å; K165-T167 PolarHBondContact O-N 2.9Å; K165-F168 HydrophobicContact CB-CD2 3.9Å; K165-F168 HydrophobicContact CD-CD2 3.89Å; K165-F168 HydrophobicContact CD-CE2 3.76Å; K165-F168 HydrophobicContact CG-CD2 4.31Å; K165-F168 PolarHBondContact O-N 3.31Å; K165-F168 VanDerWaalsContact O-O 3.09Å
166	S	90.6	Very high	90.1	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-38.4	-176.4	45.9	0	0	0	0	113.9	Y99 S150 F168	Y99-S166 VanDerWaalsContact OH-C 3.31Å; Y99-S166 PolarHBondContact OH-O 2.81Å; S150-S166 WeakPolarHBondContact O-CB 3.37Å; S150-S166 PolarHBondContact O-N 2.96Å; S150-S166 PolarHBondContact O-OG 3.22Å; S166-F168 VanDerWaalsContact C-N 3.33Å; S166-F168 PolarHBondContact O-N 2.92Å
167	T	89.3	Confident	89.7	Confident	68 Å²	68	37.8 Å²	37.8	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.5	-179	59.3	0	0	0	0	116.3	Y99 K165	Y99-T167 VanDerWaalsContact OH-CA 3.3Å; Y99-T167 WeakPolarHBondContact OH-CA 3.34Å; K165-T167 WeakPolarHBondContact CD-OG1 3.3Å; K165-T167 PolarHBondContact O-N 2.9Å
168	F	88.6	Confident	89.1	Confident	109 Å²	109	36.4 Å²	36.4	48%	0.478	19%	0.191	S	C	.	.			trans	-123.6	134.7	-176.5	-62.3	-60.1	0	0	0	110.4	M124 K165 S166	M124-F168 VanDerWaalsContact SD-O 3.34Å; K165-F168 HydrophobicContact CB-CD2 3.9Å; K165-F168 HydrophobicContact CD-CD2 3.89Å; K165-F168 HydrophobicContact CD-CE2 3.76Å; K165-F168 HydrophobicContact CG-CD2 4.31Å; K165-F168 PolarHBondContact O-N 3.31Å; K165-F168 VanDerWaalsContact O-O 3.09Å; S166-F168 VanDerWaalsContact C-N 3.33Å; S166-F168 PolarHBondContact O-N 2.92Å
169	A	88.9	Confident	87.8	Confident	20 Å²	20	38 Å²	38	17%	0.165	20%	0.199	C	C	.	.	S	Bend	trans	-72.5	-33.8	-179.8	0	0	0	0	0	112.2	M122 M124 E125	M122-A169 HydrophobicContact CG-CB 4.08Å; M122-A169 HydrophobicContact SD-CB 3.87Å; M122-A169 PolarHBondContact SD-N 3.27Å; M124-A169 CarbonylContact C-O 3.54Å; M124-A169 WeakPolarHBondContact CA-O 3.49Å; E125-A169 PolarHBondContact N-O 3.28Å
170	F	90	Very high	86.1	Confident	123 Å²	123	40.7 Å²	40.7	54%	0.539	22%	0.218	S	C	.	.	S	Bend	trans	-85.4	149.1	-178.7	-60.3	-84.5	0	0	0	111.8	E125 L172	E125-F170 HydrophobicContact CB-CD1 4.31Å; E125-F170 HydrophobicContact CB-CE1 4.44Å; E125-F170 WeakPolarHBondContact OE2-CE1 3.38Å; E125-F170 VanDerWaalsContact OE2-CZ 3.29Å; E125-F170 WeakPolarHBondContact OE2-CZ 3.02Å; F170-L172 PolarHBondContact O-N 2.66Å
171	P	90.5	Very high	83.8	Confident	30 Å²	30	46 Å²	46	20%	0.195	25%	0.246	C	C	.	.			trans	-62.8	129	175.3	26.2	-32.1	0	0	0	110	K162 V163 Y164 N173 V174	K162-P171 HydrophobicContact CB-CB 4.36Å; V163-P171 CarbonylContact O-C 3.5Å; Y164-P171 HydrophobicContact CD1-CB 4.14Å; Y164-P171 HydrophobicContact CE1-CB 3.72Å; Y164-P171 HydrophobicContact CE1-CG 4.19Å; P171-N173 PolarHBondContact O-N 3.21Å; P171-V174 HydrophobicContact CB-CG2 3.92Å; P171-V174 HydrophobicContact CG-CG2 3.81Å
172	L	90.2	Very high	81.1	Confident	31 Å²	31	55 Å²	55	16%	0.162	29%	0.285	C	S	.	.	S	Bend	trans	-63	-36.3	173.1	-165.5	95.6	0	0	0	111	V163 F170 R241	V163-L172 WeakPolarHBondContact O-CA 3.26Å; V163-L172 VanDerWaalsContact O-CB 3.32Å; V163-L172 WeakPolarHBondContact O-CB 3.27Å; V163-L172 PolarHBondContact O-N 3.38Å; F170-L172 PolarHBondContact O-N 2.66Å; L172-R241 HydrophobicContact CD2-CG 3.96Å
173	N	89.9	Confident	78.3	Confident	47 Å²	47	64.8 Å²	64.8	25%	0.251	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.3	176.3	-77.3	-47.9	0	0	0	110.6	V163 P171 F243	V163-N173 HydrophobicContact CB-CB 4.44Å; V163-N173 PolarHBondContact N-O 2.92Å; V163-N173 PolarHBondContact O-N 2.94Å; P171-N173 PolarHBondContact O-N 3.21Å; N173-F243 HydrophobicContact CB-CE2 4.06Å; N173-F243 HydrophobicContact CB-CZ 4.08Å; N173-F243 WeakPolarHBondContact ND2-CE2 3.22Å; N173-F243 WeakPolarHBondContact ND2-CZ 3.17Å
174	V	89.9	Confident	75.3	Confident	80 Å²	80	71.1 Å²	71.1	49%	0.485	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.9	173.3	-178.3	0	0	0	0	108.1	T160 K162 P171	T160-V174 HydrophobicContact CG2-CG1 4.37Å; K162-V174 HydrophobicContact CG-CG1 4.14Å; K162-V174 HydrophobicContact CG-CG2 4.17Å; P171-V174 HydrophobicContact CB-CG2 3.92Å; P171-V174 HydrophobicContact CG-CG2 3.81Å
175	I	88.7	Confident	72.3	Confident	8 Å²	8	77.3 Å²	77.3	4%	0.041	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.3	-175.9	-50.9	160.1	0	0	0	108.1	T160 L161 V163 L177 I234 F243	T160-I175 WeakPolarHBondContact CA-O 3.19Å; L161-I175 HydrophobicContact CB-CB 4.27Å; L161-I175 HydrophobicContact CD2-CD1 4.29Å; L161-I175 PolarHBondContact N-O 3.2Å; L161-I175 PolarHBondContact O-N 3.03Å; V163-I175 HydrophobicContact CG2-CD1 4.12Å; I175-L177 HydrophobicContact CG2-CD2 3.98Å; I175-L177 PolarHBondContact O-N 3.04Å; I175-I234 HydrophobicContact CG2-CD1 4.33Å; I175-F243 HydrophobicContact CD1-CB 4.31Å; I175-F243 HydrophobicContact CD1-CD1 3.17Å; I175-F243 HydrophobicContact CD1-CE1 3.56Å; I175-F243 HydrophobicContact CD1-CG 3.79Å; I175-F243 HydrophobicContact CD1-CZ 4.48Å; I175-F243 HydrophobicContact CG1-CD1 4.04Å; I175-F243 HydrophobicContact CG1-CE1 4.44Å; I175-F243 HydrophobicContact CG1-CG 4.2Å
176	N	87.2	Confident	69.7	Low	67 Å²	67	82 Å²	82	36%	0.358	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	121	173.9	-169	-30.8	0	0	0	110.3	N178 R245	N176-N178 WeakPolarHBondContact OD1-CB 3.49Å; N176-N178 PolarHBondContact OD1-N 3.31Å; N176-R245 VanDerWaalsContact O-CZ 3.27Å; N176-R245 PolarHBondContact O-NE 3.18Å; N176-R245 PolarHBondContact O-NH2 2.68Å
177	L	84.2	Confident	67.3	Low	13 Å²	13	87.7 Å²	87.7	7%	0.068	45%	0.452	C	S	.	.			trans	-96.2	-3.4	-179.6	-48.1	172.6	0	0	0	112.8	L155 S159 L161 I175 L179 I199 L224 I234	L155-L177 HydrophobicContact CD1-CD1 3.85Å; S159-L177 WeakPolarHBondContact O-CA 3.43Å; S159-L177 WeakPolarHBondContact O-CB 3.41Å; S159-L177 WeakPolarHBondContact O-CG 3.39Å; S159-L177 PolarHBondContact O-N 3.37Å; L161-L177 HydrophobicContact CB-CD1 4.04Å; L161-L177 HydrophobicContact CB-CD2 4.36Å; L161-L177 HydrophobicContact CB-CG 4.29Å; I175-L177 HydrophobicContact CG2-CD2 3.98Å; I175-L177 PolarHBondContact O-N 3.04Å; L177-L179 PolarHBondContact O-N 3.16Å; L177-I199 HydrophobicContact CB-CG1 3.98Å; L177-I199 HydrophobicContact CD1-CB 4.15Å; L177-I199 HydrophobicContact CD1-CG1 3.9Å; L177-I199 HydrophobicContact CD1-CG2 4.23Å; L177-L224 HydrophobicContact CD1-CD1 4.32Å; L177-L224 HydrophobicContact CD1-CD2 3.97Å; L177-L224 HydrophobicContact CD2-CD1 4.08Å; L177-I234 HydrophobicContact CD2-CD1 3.28Å
178	N	73.2	Confident	65.3	Low	36 Å²	36	94 Å²	94	19%	0.193	47%	0.473	C	S	.	.			trans	-70.5	103.3	177.8	-73.3	-37.6	0	0	0	110.7	D158 S159 N176 S180 L181	D158-N178 PolarHBondContact O-ND2 2.77Å; S159-N178 VanDerWaalsContact CB-OD1 3.26Å; S159-N178 WeakPolarHBondContact CB-OD1 3.4Å; S159-N178 PolarHBondContact OG-OD1 3.12Å; N176-N178 WeakPolarHBondContact OD1-CB 3.49Å; N176-N178 PolarHBondContact OD1-N 3.31Å; N178-S180 PolarHBondContact O-N 3.47Å; N178-L181 HydrophobicContact CB-CD1 4.41Å
179	L	59.3	Low	63.3	Low	83 Å²	83	92 Å²	92	44%	0.435	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-72.9	-14.9	179.8	-67.6	166	0	0	0	113.5	L177 F232 Y248	L177-L179 PolarHBondContact O-N 3.16Å; L179-F232 HydrophobicContact CD1-CD1 3.71Å; L179-F232 HydrophobicContact CD1-CE1 3.05Å; L179-F232 HydrophobicContact CD1-CZ 3.69Å; L179-Y248 HydrophobicContact CD1-CE1 4.5Å; L179-Y248 HydrophobicContact CD1-CE2 3.75Å
180	S	50.4	Low	61.4	Low	58 Å²	58	96 Å²	96	41%	0.406	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-85.4	-12.1	-173.9	46.2	0	0	0	0	115.2	N178 F182	N178-S180 PolarHBondContact O-N 3.47Å; S180-F182 VanDerWaalsContact C-N 3.28Å; S180-F182 PolarHBondContact O-N 3.09Å
181	L	41.1	Very low	59.6	Low	123 Å²	123	98.1 Å²	98.1	64%	0.644	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-79.7	-6	-177.8	-72.2	171.9	0	0	0	114.3	N178	N178-L181 HydrophobicContact CB-CD1 4.41Å
182	F	37.4	Very low	57.9	Low	188 Å²	188	99.4 Å²	99.4	83%	0.825	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-116.4	0.2	-176	-75.7	-78	0	0	0	115.9	S180	S180-F182 VanDerWaalsContact C-N 3.28Å; S180-F182 PolarHBondContact O-N 3.09Å
183	R	34.1	Very low	56.3	Low	208 Å²	208	101.8 Å²	101.8	79%	0.785	52%	0.519	S	S	*	.	S	Bend	trans	-140.2	93.2	172.6	-68.1	-172	-178.9	173.1	1.1	110.2
184	H	31.4	Very low	54.9	Low	134 Å²	134	102 Å²	102	62%	0.62	52%	0.522	S	S	*	.			trans	84.4	117.2	167.3	-50.2	-65.5	0	0	0	117.9	Y186	H184-Y186 HydrophobicContact CB-CD2 3.53Å; H184-Y186 HydrophobicContact CB-CE1 4.26Å; H184-Y186 HydrophobicContact CB-CE2 3.06Å; H184-Y186 HydrophobicContact CB-CG 4.33Å; H184-Y186 VanDerWaalsContact CB-CZ 3.44Å; H184-Y186 AromaticContact CD2-CE2 3.93Å; H184-Y186 AromaticContact CG-CE2 3.72Å; H184-Y186 AromaticContact CG-CZ 3.83Å; H184-Y186 WeakPolarHBondContact O-CD2 3.26Å; H184-Y186 PolarHBondContact O-N 2.77Å
185	S	30	Very low	53.4	Low	129 Å²	129	100.2 Å²	100.2	90%	0.902	52%	0.516	S	S	*	.			trans	-50.9	104.6	156	-76.7	0	0	0	0	109.8
186	Y	39.7	Very low	52.2	Low	161 Å²	161	103 Å²	103	63%	0.631	53%	0.531	S	S	*	.			trans	-121.7	102.6	169.9	-70.4	-61.4	0	0	0	109.4	H184 K188	H184-Y186 HydrophobicContact CB-CD2 3.53Å; H184-Y186 HydrophobicContact CB-CE1 4.26Å; H184-Y186 HydrophobicContact CB-CE2 3.06Å; H184-Y186 HydrophobicContact CB-CG 4.33Å; H184-Y186 VanDerWaalsContact CB-CZ 3.44Å; H184-Y186 AromaticContact CD2-CE2 3.93Å; H184-Y186 AromaticContact CG-CE2 3.72Å; H184-Y186 AromaticContact CG-CZ 3.83Å; H184-Y186 WeakPolarHBondContact O-CD2 3.26Å; H184-Y186 PolarHBondContact O-N 2.77Å; Y186-K188 PolarHBondContact O-N 2.84Å
187	S	40	Very low	51.3	Low	126 Å²	126	104.2 Å²	104.2	88%	0.881	53%	0.531	S	S	*	.	S	Bend	trans	-79.8	21.1	-177.1	47.9	0	0	0	0	114.6
188	K	46	Very low	51.2	Low	200 Å²	200	106 Å²	106	87%	0.87	54%	0.538	S	S	*	.			trans	-148.6	54.3	-179.8	-69.2	-171.5	178.7	179.8	0	113	Y186	Y186-K188 PolarHBondContact O-N 2.84Å
189	L	46.4	Very low	51.8	Low	66 Å²	66	104.6 Å²	104.6	35%	0.346	53%	0.53	S	S	.	.			trans	-97.2	128	166.2	-79	162.2	0	0	0	108.9	D193 V194	L189-D193 HydrophobicContact CD2-CB 4.35Å; L189-V194 HydrophobicContact CB-CG2 3.71Å; L189-V194 HydrophobicContact CD1-CG2 4.42Å
190	D	49.4	Very low	53.1	Low	104 Å²	104	104.4 Å²	104.4	56%	0.556	53%	0.526	S	S	*	.			trans	-59	140.4	171	-171.9	21.1	0	0	0	109.2	S192 D193 V194	D190-S192 PolarHBondContact O-N 3.27Å; D190-S192 PolarHBondContact OD2-OG 3.25Å; D190-D193 PolarHBondContact O-N 3.41Å; D190-V194 PolarHBondContact O-N 3.06Å
191	H	53.5	Low	54.9	Low	168 Å²	168	104 Å²	104	78%	0.778	52%	0.517	S	S	*	.	H	α-helix	trans	-57.6	-29.2	-174.5	-78.8	-72.7	0	0	0	112.1	A195	H191-A195 WeakPolarHBondContact O-CB 3.43Å; H191-A195 PolarHBondContact O-N 3.49Å; H191-A195 VanDerWaalsContact O-N 3.07Å
192	S	53.7	Low	57.4	Low	57 Å²	57	98.1 Å²	98.1	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-41	176.7	67	0	0	0	0	112.9	D190 A195 N196	D190-S192 PolarHBondContact O-N 3.27Å; D190-S192 PolarHBondContact OD2-OG 3.25Å; S192-A195 PolarHBondContact O-N 3.27Å; S192-N196 PolarHBondContact O-N 3.06Å; S192-N196 VanDerWaalsContact O-N 3.11Å; S192-N196 PolarHBondContact O-ND2 3.08Å
193	D	56.2	Low	60.1	Low	81 Å²	81	89.7 Å²	89.7	43%	0.433	45%	0.451	S	S	.	.	H	α-helix	trans	-70.8	-34.1	179.8	-85.5	-23.1	0	0	0	112.5	L189 D190 R197	L189-D193 HydrophobicContact CD2-CB 4.35Å; D190-D193 PolarHBondContact O-N 3.41Å; D193-R197 VanDerWaalsContact O-CG 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.34Å
194	V	60.2	Low	63	Low	52 Å²	52	80.9 Å²	80.9	32%	0.315	42%	0.419	S	S	.	.	H	α-helix	trans	-70	-45.2	174.2	-172.8	0	0	0	0	109.7	L189 D190 N196 R197 F198	L189-V194 HydrophobicContact CB-CG2 3.71Å; L189-V194 HydrophobicContact CD1-CG2 4.42Å; D190-V194 PolarHBondContact O-N 3.06Å; V194-N196 VanDerWaalsContact C-N 3.25Å; V194-N196 PolarHBondContact O-N 3.1Å; V194-R197 WeakPolarHBondContact O-CB 3.34Å; V194-R197 PolarHBondContact O-N 3.47Å; V194-F198 HydrophobicContact CG1-CE2 3.79Å; V194-F198 HydrophobicContact CG1-CZ 4.05Å; V194-F198 WeakPolarHBondContact O-CD2 2.99Å; V194-F198 VanDerWaalsContact O-CE2 3.3Å; V194-F198 WeakPolarHBondContact O-CE2 3.47Å
195	A	59.7	Low	65.9	Low	43 Å²	43	74.5 Å²	74.5	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-56.7	-38.4	178.1	0	0	0	0	0	112.8	H191 S192 R197 F198	H191-A195 WeakPolarHBondContact O-CB 3.43Å; H191-A195 PolarHBondContact O-N 3.49Å; H191-A195 VanDerWaalsContact O-N 3.07Å; S192-A195 PolarHBondContact O-N 3.27Å; A195-R197 PolarHBondContact O-N 2.86Å; A195-F198 PolarHBondContact O-N 3.36Å
196	N	63	Low	68.8	Low	65 Å²	65	70.4 Å²	70.4	35%	0.348	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.5	179.9	-77.3	-19.7	0	0	0	114.5	S192 V194 S228	S192-N196 PolarHBondContact O-N 3.06Å; S192-N196 VanDerWaalsContact O-N 3.11Å; S192-N196 PolarHBondContact O-ND2 3.08Å; V194-N196 VanDerWaalsContact C-N 3.25Å; V194-N196 PolarHBondContact O-N 3.1Å; N196-S228 PolarHBondContact O-OG 2.78Å
197	R	69.4	Low	71.3	Confident	94 Å²	94	65.1 Å²	65.1	36%	0.355	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-14.3	177.2	-69.2	171.9	-169.4	-166.3	2.5	113.3	D193 V194 A195 T226	D193-R197 VanDerWaalsContact O-CG 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.34Å; V194-R197 WeakPolarHBondContact O-CB 3.34Å; V194-R197 PolarHBondContact O-N 3.47Å; A195-R197 PolarHBondContact O-N 2.86Å; R197-T226 WeakPolarHBondContact O-CG2 3.28Å
198	F	80.2	Confident	73.6	Confident	51 Å²	51	59.9 Å²	59.9	22%	0.224	30%	0.304	C	S	.	.	S	Bend	trans	-68.3	140.7	176	-66	-88.4	0	0	0	110.9	S159 V194 A195 K200 T226	S159-F198 VanDerWaalsContact OG-CA 3.27Å; S159-F198 WeakPolarHBondContact OG-CA 3.36Å; S159-F198 WeakPolarHBondContact OG-CB 3.15Å; S159-F198 WeakPolarHBondContact OG-CD1 2.91Å; V194-F198 HydrophobicContact CG1-CE2 3.79Å; V194-F198 HydrophobicContact CG1-CZ 4.05Å; V194-F198 WeakPolarHBondContact O-CD2 2.99Å; V194-F198 VanDerWaalsContact O-CE2 3.3Å; V194-F198 WeakPolarHBondContact O-CE2 3.47Å; A195-F198 PolarHBondContact O-N 3.36Å; F198-K200 PolarHBondContact O-N 3.01Å; F198-T226 WeakPolarHBondContact O-CA 3.31Å
199	I	87.1	Confident	75.5	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.2	173.6	-57.5	-58.8	0	0	0	108.2	L155 S159 L177 L224 T226 F232	L155-I199 HydrophobicContact CD1-CB 4.28Å; L155-I199 HydrophobicContact CD1-CG2 4.02Å; L155-I199 HydrophobicContact CD2-CG2 3.98Å; S159-I199 PolarHBondContact OG-N 3.36Å; S159-I199 VanDerWaalsContact OG-N 3.07Å; L177-I199 HydrophobicContact CB-CG1 3.98Å; L177-I199 HydrophobicContact CD1-CB 4.15Å; L177-I199 HydrophobicContact CD1-CG1 3.9Å; L177-I199 HydrophobicContact CD1-CG2 4.23Å; I199-L224 HydrophobicContact CD1-CB 4.21Å; I199-L224 HydrophobicContact CG2-CB 4.01Å; I199-L224 HydrophobicContact CG2-CD2 3.81Å; I199-T226 HydrophobicContact CD1-CG2 3.76Å; I199-F232 HydrophobicContact CD1-CD2 3.79Å; I199-F232 HydrophobicContact CD1-CE2 3.81Å
200	K	85.5	Confident	77.1	Confident	80 Å²	80	52.3 Å²	52.3	35%	0.348	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-36.4	-177.5	-67.9	-59.3	-175.2	-171.3	0	112.9	L155 F198 V225 A227	L155-K200 WeakPolarHBondContact CD2-O 3.19Å; F198-K200 PolarHBondContact O-N 3.01Å; K200-V225 PolarHBondContact N-O 2.82Å; K200-A227 HydrophobicContact CG-CB 3.97Å
201	K	90.1	Very high	78.3	Confident	48 Å²	48	51.9 Å²	51.9	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	160.6	-174.4	-61.6	-70.5	-178.6	167.5	0	110.6	L139 V225 D265 F266	L139-K201 HydrophobicContact CD2-CB 4.46Å; L139-K201 HydrophobicContact CD2-CD 3.99Å; K201-V225 HydrophobicContact CB-CG1 3.88Å; K201-V225 PolarHBondContact O-N 3.25Å; K201-D265 IonicContact NZ-OD1 3.82Å; K201-F266 HydrophobicContact CB-CB 3.71Å; K201-F266 HydrophobicContact CB-CD1 4.39Å; K201-F266 HydrophobicContact CB-CG 4.47Å; K201-F266 HydrophobicContact CG-CB 4.26Å
202	F	93.6	Very high	79.1	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.9	173.7	77.4	-89.4	0	0	0	111.5	L139 R141 F153 L155 L161 F204 V222 F223 L224	L139-F202 HydrophobicContact CB-CE1 4.32Å; L139-F202 HydrophobicContact CD2-CD1 3.76Å; L139-F202 HydrophobicContact CD2-CE1 3.94Å; L139-F202 HydrophobicContact CD2-CG 4.41Å; L139-F202 HydrophobicContact CG-CD1 4.32Å; L139-F202 HydrophobicContact CG-CE1 4.04Å; R141-F202 HydrophobicContact CB-CE2 3.74Å; R141-F202 HydrophobicContact CB-CZ 3.63Å; R141-F202 HydrophobicContact CG-CE1 4.44Å; R141-F202 HydrophobicContact CG-CE2 3.93Å; R141-F202 HydrophobicContact CG-CZ 3.77Å; F153-F202 HydrophobicContact CB-CE2 3.91Å; F153-F202 HydrophobicContact CB-CZ 3.62Å; L155-F202 HydrophobicContact CB-CD1 3.79Å; L155-F202 HydrophobicContact CB-CE1 3.83Å; L155-F202 HydrophobicContact CD2-CD1 4.23Å; L161-F202 HydrophobicContact CD1-CD1 4.24Å; L161-F202 HydrophobicContact CD1-CE1 4.07Å; L161-F202 HydrophobicContact CD1-CZ 4.34Å; F202-F204 HydrophobicContact CE2-CD2 4.43Å; F202-F204 AromaticContact CE2-CE2 3.8Å; F202-F204 HydrophobicContact CE2-CE2 3.8Å; F202-F204 HydrophobicContact CE2-CZ 4.1Å; F202-V222 HydrophobicContact CB-CG1 4.16Å; F202-V222 HydrophobicContact CD2-CG1 3.79Å; F202-V222 HydrophobicContact CG-CG1 4.33Å; F202-F223 CarbonylContact C-O 3.57Å; F202-F223 WeakPolarHBondContact CA-O 3.41Å; F202-F223 WeakPolarHBondContact CB-O 3Å; F202-L224 HydrophobicContact CB-CD2 3.45Å; F202-L224 VanDerWaalsContact CB-CD2 3.45Å; F202-L224 HydrophobicContact CB-CG 4.39Å; F202-L224 HydrophobicContact CG-CD2 4.45Å
203	A	92.8	Very high	79.8	Confident	11 Å²	11	53.8 Å²	53.8	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.7	175.4	0	0	0	0	0	110.8	F223 F266 C268	A203-F223 PolarHBondContact N-O 2.75Å; A203-F223 PolarHBondContact O-N 2.96Å; A203-F266 HydrophobicContact CB-CD1 3.91Å; A203-F266 HydrophobicContact CB-CE1 3.67Å; A203-C268 HydrophobicContact CB-CB 3.58Å
204	F	94.2	Very high	80.6	Confident	23 Å²	23	59.3 Å²	59.3	10%	0.101	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.6	175.1	-68.5	-79.4	0	0	0	110.5	R141 W142 Y143 P144 F153 F202 W220 P221 V222 C268	R141-F204 HydrophobicContact CB-CE2 3.97Å; W142-F204 WeakPolarHBondContact O-CE2 3.31Å; Y143-F204 HydrophobicContact CD2-CD1 4.46Å; Y143-F204 AromaticContact CD2-CE1 3.73Å; Y143-F204 HydrophobicContact CD2-CE1 3.73Å; Y143-F204 HydrophobicContact CD2-CZ 4.06Å; Y143-F204 HydrophobicContact CE2-CE1 4.28Å; P144-F204 HydrophobicContact CG-CB 3.67Å; P144-F204 HydrophobicContact CG-CD1 4.19Å; P144-F204 HydrophobicContact CG-CD2 3.9Å; P144-F204 HydrophobicContact CG-CG 3.67Å; F153-F204 HydrophobicContact CB-CZ 4.28Å; F153-F204 HydrophobicContact CD1-CZ 4.17Å; F153-F204 AromaticContact CD2-CZ 3.79Å; F153-F204 HydrophobicContact CD2-CZ 3.79Å; F153-F204 HydrophobicContact CE1-CZ 4.49Å; F153-F204 HydrophobicContact CE2-CZ 4.15Å; F153-F204 AromaticContact CG-CZ 3.82Å; F153-F204 HydrophobicContact CG-CZ 3.82Å; F153-F204 HydrophobicContact CZ-CZ 4.49Å; F202-F204 HydrophobicContact CE2-CD2 4.43Å; F202-F204 AromaticContact CE2-CE2 3.8Å; F202-F204 HydrophobicContact CE2-CE2 3.8Å; F202-F204 HydrophobicContact CE2-CZ 4.1Å; F204-W220 HydrophobicContact CB-CE3 4.25Å; F204-W220 HydrophobicContact CD1-CB 4.45Å; F204-P221 WeakPolarHBondContact CA-O 3.49Å; F204-V222 HydrophobicContact CD1-CG2 3.71Å; F204-V222 HydrophobicContact CE1-CG2 3.53Å; F204-C268 WeakPolarHBondContact O-CB 3.04Å; F204-C268 PolarHBondContact O-SG 3.15Å
205	G	93	Very high	81.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.			trans	-101.3	-172.2	168.5	0	0	0	0	0	112.5	W220 P221 N275	G205-W220 WeakPolarHBondContact O-CZ3 3.44Å; G205-P221 PolarHBondContact N-O 2.85Å; G205-N275 VanDerWaalsContact CA-OD1 3.26Å; G205-N275 WeakPolarHBondContact CA-OD1 3.4Å
206	L	91.3	Very high	82.6	Confident	43 Å²	43	61.5 Å²	61.5	23%	0.225	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.8	139.9	179.8	-75	165.6	0	0	0	112.8	P221 T270 G273 I274 N275	L206-P221 WeakPolarHBondContact O-CD 3.12Å; L206-P221 WeakPolarHBondContact O-CG 3.35Å; L206-T270 HydrophobicContact CD2-CG2 4.44Å; L206-T270 WeakPolarHBondContact CD2-O 3.13Å; L206-T270 HydrophobicContact CG-CG2 4.01Å; L206-G273 WeakPolarHBondContact CD1-O 3.36Å; L206-I274 VanDerWaalsContact CD1-N 3.32Å; L206-N275 PolarHBondContact N-OD1 3.36Å
207	P	91.5	Very high	83.8	Confident	50 Å²	50	59.1 Å²	59.1	33%	0.325	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-66.6	138.3	179.9	27.4	-32.3	0	0	0	111.4	Y218 W220	P207-Y218 HydrophobicContact CB-CD1 4.41Å; P207-W220 HydrophobicContact CB-CD2 4.06Å; P207-W220 HydrophobicContact CB-CG 4.38Å; P207-W220 HydrophobicContact CB-CH2 4.44Å; P207-W220 HydrophobicContact CB-CZ2 3.89Å; P207-W220 HydrophobicContact CG-CH2 4.03Å; P207-W220 HydrophobicContact CG-CZ2 3.75Å
208	L	88.3	Confident	84.7	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.5	172.5	-62	173.2	0	0	0	109.5	Y218 Y219 F235 Q293 L300 F308	L208-Y218 WeakPolarHBondContact O-CA 3.44Å; L208-Y219 PolarHBondContact N-O 2.91Å; L208-Y219 PolarHBondContact O-N 3.01Å; L208-F235 HydrophobicContact CD1-CD1 3.7Å; L208-F235 HydrophobicContact CD1-CE1 3.26Å; L208-F235 HydrophobicContact CD1-CZ 4.16Å; L208-Q293 VanDerWaalsContact CD2-OE1 3.29Å; L208-L300 HydrophobicContact CD1-CD1 3.58Å; L208-F308 HydrophobicContact CD1-CZ 4.48Å
209	A	86.5	Confident	85.3	Confident	43 Å²	43	58.8 Å²	58.8	36%	0.355	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.3	171.1	0	0	0	0	0	110.2	V216 Y218 S297	A209-V216 HydrophobicContact CB-CG1 4.39Å; A209-Y218 HydrophobicContact CB-CD1 4.18Å; A209-Y218 HydrophobicContact CB-CE1 3.88Å; A209-S297 WeakPolarHBondContact O-CB 3.33Å
210	Y	80.6	Confident	85.6	Confident	65 Å²	65	60.2 Å²	60.2	26%	0.255	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108.7	172.5	179.3	-105.1	0	0	0	109	T212 S217 L301	Y210-T212 HydrophobicContact CD1-CG2 3.89Å; Y210-T212 HydrophobicContact CE1-CG2 3.29Å; Y210-S217 PolarHBondContact N-O 2.96Å; Y210-S217 PolarHBondContact O-N 3.31Å; Y210-L301 HydrophobicContact CD1-CD1 3.75Å; Y210-L301 HydrophobicContact CD2-CD1 3.44Å; Y210-L301 VanDerWaalsContact CD2-CD1 3.44Å; Y210-L301 HydrophobicContact CD2-CG 4.24Å; Y210-L301 HydrophobicContact CE1-CD1 4.11Å; Y210-L301 HydrophobicContact CE2-CD1 3.84Å; Y210-L301 HydrophobicContact CG-CD1 3.39Å
211	C	73.6	Confident	85.9	Confident	94 Å²	94	56.4 Å²	56.4	64%	0.635	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	119	178.6	-64.1	0	0	0	0	110
212	T	70.2	Confident	86.2	Confident	60 Å²	60	54.1 Å²	54.1	37%	0.368	28%	0.283	S	S	.	.			trans	-96.7	167.7	161.3	61.9	0	0	0	0	109.3	Y210 K214 S215	Y210-T212 HydrophobicContact CD1-CG2 3.89Å; Y210-T212 HydrophobicContact CE1-CG2 3.29Å; T212-K214 PolarHBondContact O-N 3.35Å; T212-S215 PolarHBondContact N-O 3.05Å; T212-S215 PolarHBondContact O-N 2.82Å; T212-S215 PolarHBondContact OG1-N 2.8Å; T212-S215 VanDerWaalsContact OG1-N 3.11Å; T212-S215 PolarHBondContact OG1-O 2.87Å; T212-S215 PolarHBondContact OG1-OG 2.89Å
213	Q	68.6	Low	86.2	Confident	206 Å²	206	54 Å²	54	96%	0.963	28%	0.283	S	S	*	.	S	Bend	trans	-55.8	-21.1	174.2	-71.4	179.8	-10.4	0	0	113.8
214	K	73.2	Confident	86.2	Confident	197 Å²	197	53.7 Å²	53.7	86%	0.857	28%	0.28	S	S	*	.	S	Bend	trans	-112.8	-20.4	-173	-65.2	-175.4	179	-178.6	0	114.8	T212	T212-K214 PolarHBondContact O-N 3.35Å
215	S	80.6	Confident	86	Confident	64 Å²	64	52.6 Å²	52.6	45%	0.448	28%	0.275	S	S	.	.			trans	-164.7	154.4	-174.1	58.5	0	0	0	0	112.6	T212	T212-S215 PolarHBondContact N-O 3.05Å; T212-S215 PolarHBondContact O-N 2.82Å; T212-S215 PolarHBondContact OG1-N 2.8Å; T212-S215 VanDerWaalsContact OG1-N 3.11Å; T212-S215 PolarHBondContact OG1-O 2.87Å; T212-S215 PolarHBondContact OG1-OG 2.89Å
216	V	82.5	Confident	85.7	Confident	76 Å²	76	52.7 Å²	52.7	46%	0.461	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.9	169.8	-175	0	0	0	0	108.5	A209 Y218	A209-V216 HydrophobicContact CB-CG1 4.39Å; V216-Y218 HydrophobicContact CG1-CE2 4.05Å
217	S	86.2	Confident	85.2	Confident	16 Å²	16	50.8 Å²	50.8	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.3	175.1	-65.2	0	0	0	0	109.9	Y210 E240	Y210-S217 PolarHBondContact N-O 2.96Å; Y210-S217 PolarHBondContact O-N 3.31Å; S217-E240 VanDerWaalsContact CB-OE1 3.23Å; S217-E240 WeakPolarHBondContact CB-OE1 3.33Å; S217-E240 PolarHBondContact OG-OE1 2.93Å
218	Y	89.6	Confident	84.6	Confident	129 Å²	129	50 Å²	50	51%	0.506	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.9	178.6	-65.2	-86.6	0	0	0	110.5	P207 L208 A209 V216 N237	P207-Y218 HydrophobicContact CB-CD1 4.41Å; L208-Y218 WeakPolarHBondContact O-CA 3.44Å; A209-Y218 HydrophobicContact CB-CD1 4.18Å; A209-Y218 HydrophobicContact CB-CE1 3.88Å; V216-Y218 HydrophobicContact CG1-CE2 4.05Å; Y218-N237 PolarHBondContact O-ND2 3.22Å
219	Y	91.6	Very high	84.4	Confident	8 Å²	8	49.9 Å²	49.9	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.9	174.7	-76.6	-97.4	0	0	0	109.8	L208 F235 V236 N237 K242 I244 L301	L208-Y219 PolarHBondContact N-O 2.91Å; L208-Y219 PolarHBondContact O-N 3.01Å; Y219-F235 HydrophobicContact CD1-CB 4.14Å; Y219-V236 WeakPolarHBondContact CA-O 3.43Å; Y219-N237 HydrophobicContact CD1-CB 3.73Å; Y219-N237 HydrophobicContact CE1-CB 3.61Å; Y219-N237 HydrophobicContact CE2-CB 4.41Å; Y219-N237 HydrophobicContact CG-CB 4.21Å; Y219-K242 HydrophobicContact CE1-CB 4.11Å; Y219-K242 WeakPolarHBondContact OH-CD 3.16Å; Y219-I244 HydrophobicContact CD1-CD1 4.42Å; Y219-I244 HydrophobicContact CE1-CD1 3.79Å; Y219-L301 HydrophobicContact CD1-CD2 3.86Å; Y219-L301 HydrophobicContact CD2-CD1 3.8Å; Y219-L301 HydrophobicContact CD2-CD2 3.94Å; Y219-L301 HydrophobicContact CE1-CD2 4.04Å; Y219-L301 HydrophobicContact CE2-CD1 3.44Å; Y219-L301 VanDerWaalsContact CE2-CD1 3.44Å; Y219-L301 HydrophobicContact CE2-CD2 4.13Å; Y219-L301 HydrophobicContact CE2-CG 4.47Å; Y219-L301 HydrophobicContact CG-CD1 4.48Å; Y219-L301 HydrophobicContact CG-CD2 3.79Å
220	W	93.2	Very high	84.4	Confident	35 Å²	35	53.4 Å²	53.4	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.3	176	-77.5	73.2	0	0	0	110	Y143 P144 D145 F204 G205 P207 V236	Y143-W220 HydrophobicContact CE2-CB 3.8Å; Y143-W220 AromaticContact CE2-CD1 3.87Å; Y143-W220 AromaticContact CE2-CG 3.78Å; Y143-W220 HydrophobicContact CE2-CG 3.78Å; Y143-W220 AromaticContact CZ-CD1 3.43Å; Y143-W220 VanDerWaalsContact CZ-CD1 3.43Å; Y143-W220 AromaticContact CZ-CG 3.83Å; Y143-W220 AromaticContact CZ-NE1 3.93Å; P144-W220 HydrophobicContact CB-CD2 4.35Å; P144-W220 HydrophobicContact CB-CE3 3.93Å; P144-W220 HydrophobicContact CB-CH2 3.34Å; P144-W220 HydrophobicContact CB-CZ2 3.77Å; P144-W220 HydrophobicContact CB-CZ3 3.43Å; P144-W220 VanDerWaalsContact CB-CZ3 3.43Å; P144-W220 HydrophobicContact CG-CD2 4.25Å; P144-W220 HydrophobicContact CG-CE3 3.61Å; P144-W220 HydrophobicContact CG-CH2 3.96Å; P144-W220 HydrophobicContact CG-CZ3 3.47Å; P144-W220 VanDerWaalsContact CG-CZ3 3.47Å; D145-W220 HydrophobicContact CB-CZ2 4.36Å; F204-W220 HydrophobicContact CB-CE3 4.25Å; F204-W220 HydrophobicContact CD1-CB 4.45Å; G205-W220 WeakPolarHBondContact O-CZ3 3.44Å; P207-W220 HydrophobicContact CB-CD2 4.06Å; P207-W220 HydrophobicContact CB-CG 4.38Å; P207-W220 HydrophobicContact CB-CH2 4.44Å; P207-W220 HydrophobicContact CB-CZ2 3.89Å; P207-W220 HydrophobicContact CG-CH2 4.03Å; P207-W220 HydrophobicContact CG-CZ2 3.75Å; W220-V236 PolarHBondContact N-O 2.82Å; W220-V236 PolarHBondContact O-N 2.8Å
221	P	93.5	Very high	84.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.4	168.9	27.5	-29.6	0	0	0	109.7	F204 G205 L206 F223 I234 F235 F308	F204-P221 WeakPolarHBondContact CA-O 3.49Å; G205-P221 PolarHBondContact N-O 2.85Å; L206-P221 WeakPolarHBondContact O-CD 3.12Å; L206-P221 WeakPolarHBondContact O-CG 3.35Å; P221-F223 HydrophobicContact CB-CE2 4.21Å; P221-F223 HydrophobicContact CB-CZ 4.24Å; P221-F223 HydrophobicContact CG-CE2 4.34Å; P221-I234 CarbonylContact C-O 3.58Å; P221-I234 WeakPolarHBondContact CA-O 3.4Å; P221-F235 HydrophobicContact CB-CD1 4.15Å; P221-F235 HydrophobicContact CB-CE1 3.92Å; P221-F308 HydrophobicContact CB-CE2 3.92Å; P221-F308 HydrophobicContact CB-CZ 4.17Å; P221-F308 HydrophobicContact CG-CZ 4.27Å
222	V	94.9	Very high	85.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	103.1	172.4	-176.3	0	0	0	0	106.9	F202 F204 L224 C233 I234 V236	F202-V222 HydrophobicContact CB-CG1 4.16Å; F202-V222 HydrophobicContact CD2-CG1 3.79Å; F202-V222 HydrophobicContact CG-CG1 4.33Å; F204-V222 HydrophobicContact CD1-CG2 3.71Å; F204-V222 HydrophobicContact CE1-CG2 3.53Å; V222-L224 HydrophobicContact CG1-CD2 4.3Å; V222-L224 HydrophobicContact CG1-CG 4.44Å; V222-C233 CarbonylContact O-C 3.37Å; V222-C233 WeakPolarHBondContact O-CA 3.26Å; V222-I234 HydrophobicContact CB-CB 4.49Å; V222-I234 PolarHBondContact N-O 2.86Å; V222-I234 PolarHBondContact O-N 3.38Å; V222-V236 HydrophobicContact CB-CG2 4.49Å; V222-V236 HydrophobicContact CG2-CB 4.29Å; V222-V236 HydrophobicContact CG2-CG2 3.61Å
223	F	93.9	Very high	86.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.7	174.8	-62.3	-74.1	0	0	0	109.5	F202 A203 P221 F232 C233 L249 F266 N275 L277 A291 F308	F202-F223 CarbonylContact C-O 3.57Å; F202-F223 WeakPolarHBondContact CA-O 3.41Å; F202-F223 WeakPolarHBondContact CB-O 3Å; A203-F223 PolarHBondContact N-O 2.75Å; A203-F223 PolarHBondContact O-N 2.96Å; P221-F223 HydrophobicContact CB-CE2 4.21Å; P221-F223 HydrophobicContact CB-CZ 4.24Å; P221-F223 HydrophobicContact CG-CE2 4.34Å; F223-F232 CarbonylContact C-O 3.58Å; F223-F232 WeakPolarHBondContact CA-O 3.42Å; F223-C233 HydrophobicContact CD1-CB 4.21Å; F223-C233 HydrophobicContact CE1-CB 4.33Å; F223-L249 HydrophobicContact CD1-CD1 3.8Å; F223-L249 HydrophobicContact CE1-CD1 3.91Å; F223-F266 HydrophobicContact CB-CE1 3.92Å; F223-F266 HydrophobicContact CB-CZ 3.77Å; F223-N275 HydrophobicContact CE2-CB 4.26Å; F223-N275 HydrophobicContact CZ-CB 4.48Å; F223-L277 HydrophobicContact CB-CD2 4.07Å; F223-L277 HydrophobicContact CD1-CD1 4.2Å; F223-L277 HydrophobicContact CD1-CD2 4.28Å; F223-L277 HydrophobicContact CD2-CD2 3.56Å; F223-L277 HydrophobicContact CE2-CD2 3.99Å; F223-L277 HydrophobicContact CG-CD1 4.36Å; F223-L277 HydrophobicContact CG-CD2 3.71Å; F223-A291 HydrophobicContact CE1-CB 4.1Å; F223-A291 HydrophobicContact CZ-CB 3.86Å; F223-F308 AromaticContact CE1-CD2 3.75Å; F223-F308 HydrophobicContact CE1-CD2 3.75Å; F223-F308 HydrophobicContact CE1-CE2 4.05Å; F223-F308 HydrophobicContact CE1-CG 4.05Å; F223-F308 HydrophobicContact CZ-CD1 4.32Å; F223-F308 AromaticContact CZ-CD2 3.99Å; F223-F308 HydrophobicContact CZ-CD2 3.99Å; F223-F308 HydrophobicContact CZ-CE1 4.26Å; F223-F308 AromaticContact CZ-CE2 3.88Å; F223-F308 HydrophobicContact CZ-CE2 3.88Å; F223-F308 HydrophobicContact CZ-CG 4.2Å; F223-F308 HydrophobicContact CZ-CZ 4.04Å
224	L	92.8	Very high	87.5	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.6	-177	-60.2	154.3	0	0	0	108.6	L177 I199 F202 V222 L231 F232 I234	L177-L224 HydrophobicContact CD1-CD1 4.32Å; L177-L224 HydrophobicContact CD1-CD2 3.97Å; L177-L224 HydrophobicContact CD2-CD1 4.08Å; I199-L224 HydrophobicContact CD1-CB 4.21Å; I199-L224 HydrophobicContact CG2-CB 4.01Å; I199-L224 HydrophobicContact CG2-CD2 3.81Å; F202-L224 HydrophobicContact CB-CD2 3.45Å; F202-L224 VanDerWaalsContact CB-CD2 3.45Å; F202-L224 HydrophobicContact CB-CG 4.39Å; F202-L224 HydrophobicContact CG-CD2 4.45Å; V222-L224 HydrophobicContact CG1-CD2 4.3Å; V222-L224 HydrophobicContact CG1-CG 4.44Å; L224-L231 CarbonylContact O-C 3.54Å; L224-L231 WeakPolarHBondContact O-CA 3.33Å; L224-F232 HydrophobicContact CB-CB 4.19Å; L224-F232 HydrophobicContact CD1-CB 4.34Å; L224-F232 PolarHBondContact N-O 3.2Å; L224-F232 PolarHBondContact O-N 3.3Å; L224-I234 HydrophobicContact CD1-CD1 3.61Å; L224-I234 HydrophobicContact CD1-CG1 3.73Å
225	V	89.6	Confident	88.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.2	178.5	70.5	0	0	0	0	111.6	K200 K201 R230 L231 V263 F266	K200-V225 PolarHBondContact N-O 2.82Å; K201-V225 HydrophobicContact CB-CG1 3.88Å; K201-V225 PolarHBondContact O-N 3.25Å; V225-R230 WeakPolarHBondContact CA-O 3.24Å; V225-L231 HydrophobicContact CB-CD2 3.9Å; V225-L231 HydrophobicContact CG2-CD2 3.77Å; V225-V263 HydrophobicContact CG1-CG1 4.12Å; V225-V263 HydrophobicContact CG2-CB 4.47Å; V225-V263 HydrophobicContact CG2-CG1 4.3Å; V225-V263 HydrophobicContact CG2-CG2 3.94Å; V225-F266 HydrophobicContact CB-CD2 4.23Å; V225-F266 HydrophobicContact CB-CE2 4.43Å; V225-F266 HydrophobicContact CB-CG 4.28Å; V225-F266 HydrophobicContact CG1-CB 3.68Å; V225-F266 HydrophobicContact CG1-CD1 3.99Å; V225-F266 HydrophobicContact CG1-CD2 3.95Å; V225-F266 HydrophobicContact CG1-CG 3.6Å
226	T	87.8	Confident	88.9	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	169	171.4	60.1	0	0	0	0	111.5	R197 F198 I199 S228 C229 R230 F232	R197-T226 WeakPolarHBondContact O-CG2 3.28Å; F198-T226 WeakPolarHBondContact O-CA 3.31Å; I199-T226 HydrophobicContact CD1-CG2 3.76Å; T226-S228 PolarHBondContact O-N 3.01Å; T226-S228 PolarHBondContact OG1-N 2.87Å; T226-S228 PolarHBondContact OG1-OG 3.01Å; T226-C229 PolarHBondContact O-N 2.81Å; T226-C229 VanDerWaalsContact O-N 3.16Å; T226-R230 HydrophobicContact CG2-CB 4.31Å; T226-R230 PolarHBondContact N-O 2.84Å; T226-R230 WeakPolarHBondContact OG1-CB 3.36Å; T226-R230 PolarHBondContact OG1-N 2.73Å; T226-F232 HydrophobicContact CG2-CE2 3.72Å; T226-F232 HydrophobicContact CG2-CZ 4.44Å
227	A	80	Confident	89.4	Confident	3 Å²	3	18.3 Å²	18.3	3%	0.025	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.7	168.7	0	0	0	0	0	111.4	K200 C229 T261 N262 V263	K200-A227 HydrophobicContact CG-CB 3.97Å; A227-C229 PolarHBondContact O-N 2.81Å; A227-C229 VanDerWaalsContact O-N 3.07Å; A227-T261 CarbonylContact C-O 3.56Å; A227-T261 CarbonylContact O-C 3.51Å; A227-N262 CarbonylContact O-C 3.59Å; A227-N262 WeakPolarHBondContact O-CA 3.34Å; A227-N262 PolarHBondContact O-N 3.48Å; A227-V263 PolarHBondContact O-N 3.18Å
228	S	79.6	Confident	89.5	Confident	33 Å²	33	17.6 Å²	17.6	23%	0.231	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	18.1	177.9	50.4	0	0	0	0	115.6	N196 T226 R230	N196-S228 PolarHBondContact O-OG 2.78Å; T226-S228 PolarHBondContact O-N 3.01Å; T226-S228 PolarHBondContact OG1-N 2.87Å; T226-S228 PolarHBondContact OG1-OG 3.01Å; S228-R230 PolarHBondContact O-N 3.23Å; S228-R230 VanDerWaalsContact O-N 3.14Å
229	C	84.3	Confident	89.4	Confident	12 Å²	12	14 Å²	14	8%	0.081	6%	0.064	C	C	.	.			trans	58.5	25.3	178.8	-163.8	0	0	0	0	114.8	T226 A227 E260 V263	T226-C229 PolarHBondContact O-N 2.81Å; T226-C229 VanDerWaalsContact O-N 3.16Å; A227-C229 PolarHBondContact O-N 2.81Å; A227-C229 VanDerWaalsContact O-N 3.07Å; C229-E260 WeakPolarHBondContact CB-O 3.23Å; C229-V263 HydrophobicContact CB-CG2 3.64Å
230	R	85.8	Confident	89.2	Confident	118 Å²	118	17 Å²	17	45%	0.445	8%	0.079	S	C	.	.			trans	-83.3	129.2	171.1	-61.5	-175	179.3	164.5	-0.5	109.4	V225 T226 S228 F232 Y248	V225-R230 WeakPolarHBondContact CA-O 3.24Å; T226-R230 HydrophobicContact CG2-CB 4.31Å; T226-R230 PolarHBondContact N-O 2.84Å; T226-R230 WeakPolarHBondContact OG1-CB 3.36Å; T226-R230 PolarHBondContact OG1-N 2.73Å; S228-R230 PolarHBondContact O-N 3.23Å; S228-R230 VanDerWaalsContact O-N 3.14Å; R230-F232 HydrophobicContact CB-CE2 4.04Å; R230-F232 HydrophobicContact CB-CZ 4.33Å; R230-Y248 HydrophobicContact CB-CD1 4.35Å; R230-Y248 HydrophobicContact CB-CE1 4.41Å
231	L	89	Confident	88.9	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.3	-177.2	-65.2	171.9	0	0	0	111.6	L224 V225 L249 L251 F266 L277 I279 V310	L224-L231 CarbonylContact O-C 3.54Å; L224-L231 WeakPolarHBondContact O-CA 3.33Å; V225-L231 HydrophobicContact CB-CD2 3.9Å; V225-L231 HydrophobicContact CG2-CD2 3.77Å; L231-L249 HydrophobicContact CB-CB 4Å; L231-L249 HydrophobicContact CB-CD1 4.27Å; L231-L249 HydrophobicContact CB-CG 4.47Å; L231-L249 PolarHBondContact O-N 3.11Å; L231-L251 HydrophobicContact CD1-CD1 4.34Å; L231-F266 HydrophobicContact CD2-CE2 3.94Å; L231-F266 HydrophobicContact CD2-CZ 4.23Å; L231-L277 HydrophobicContact CD1-CD1 4.15Å; L231-I279 HydrophobicContact CD1-CD1 4.02Å; L231-I279 HydrophobicContact CD2-CD1 4.12Å; L231-I279 HydrophobicContact CG-CD1 4.43Å; L231-V310 HydrophobicContact CD1-CB 4.31Å; L231-V310 HydrophobicContact CD1-CG1 3.9Å; L231-V310 HydrophobicContact CD1-CG2 4.2Å
232	F	87.4	Confident	88.6	Confident	13 Å²	13	27.1 Å²	27.1	6%	0.057	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.2	174.2	-50.6	-95.8	0	0	0	110	L179 I199 F223 L224 T226 R230 Y248	L179-F232 HydrophobicContact CD1-CD1 3.71Å; L179-F232 HydrophobicContact CD1-CE1 3.05Å; L179-F232 HydrophobicContact CD1-CZ 3.69Å; I199-F232 HydrophobicContact CD1-CD2 3.79Å; I199-F232 HydrophobicContact CD1-CE2 3.81Å; F223-F232 CarbonylContact C-O 3.58Å; F223-F232 WeakPolarHBondContact CA-O 3.42Å; L224-F232 HydrophobicContact CB-CB 4.19Å; L224-F232 HydrophobicContact CD1-CB 4.34Å; L224-F232 PolarHBondContact N-O 3.2Å; L224-F232 PolarHBondContact O-N 3.3Å; T226-F232 HydrophobicContact CG2-CE2 3.72Å; T226-F232 HydrophobicContact CG2-CZ 4.44Å; R230-F232 HydrophobicContact CB-CE2 4.04Å; R230-F232 HydrophobicContact CB-CZ 4.33Å; F232-Y248 AromaticContact CD1-CD1 3.96Å; F232-Y248 HydrophobicContact CD1-CD1 3.96Å; F232-Y248 HydrophobicContact CD1-CD2 4.44Å; F232-Y248 HydrophobicContact CD1-CE1 4.28Å; F232-Y248 HydrophobicContact CD1-CG 4.05Å; F232-Y248 AromaticContact CE1-CD1 3.07Å; F232-Y248 HydrophobicContact CE1-CD1 3.07Å; F232-Y248 AromaticContact CE1-CD2 3.75Å; F232-Y248 HydrophobicContact CE1-CD2 3.75Å; F232-Y248 AromaticContact CE1-CE1 3.04Å; F232-Y248 HydrophobicContact CE1-CE1 3.04Å; F232-Y248 AromaticContact CE1-CE2 3.68Å; F232-Y248 HydrophobicContact CE1-CE2 3.68Å; F232-Y248 AromaticContact CE1-CG 3.44Å; F232-Y248 HydrophobicContact CE1-CG 3.44Å; F232-Y248 VanDerWaalsContact CE1-CG 3.44Å; F232-Y248 AromaticContact CE1-CZ 3.3Å; F232-Y248 HydrophobicContact CE2-CD1 4.25Å; F232-Y248 HydrophobicContact CE2-CE1 4.12Å; F232-Y248 AromaticContact CZ-CD1 3.3Å; F232-Y248 HydrophobicContact CZ-CD1 3.3Å; F232-Y248 AromaticContact CZ-CE1 2.96Å; F232-Y248 HydrophobicContact CZ-CE1 2.96Å; F232-Y248 HydrophobicContact CZ-CE2 4.35Å; F232-Y248 HydrophobicContact CZ-CG 4.15Å; F232-Y248 AromaticContact CZ-CZ 3.52Å
233	C	90.7	Very high	88.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.4	171	-177.5	0	0	0	0	110.3	V222 F223 S246 L249 F308	V222-C233 CarbonylContact O-C 3.37Å; V222-C233 WeakPolarHBondContact O-CA 3.26Å; F223-C233 HydrophobicContact CD1-CB 4.21Å; F223-C233 HydrophobicContact CE1-CB 4.33Å; C233-S246 WeakPolarHBondContact O-CA 3.45Å; C233-S246 WeakPolarHBondContact O-CB 3.32Å; C233-S246 PolarHBondContact O-N 3.04Å; C233-L249 HydrophobicContact CB-CD1 4.13Å; C233-L249 HydrophobicContact CB-CD2 4.2Å; C233-L249 HydrophobicContact CB-CG 4.43Å; C233-F308 HydrophobicContact CB-CD2 4.46Å
234	I	91.5	Very high	87.9	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131	164.9	-58.4	-178.2	0	0	0	107.4	I175 L177 P221 V222 L224 V236 F243 I244 R245	I175-I234 HydrophobicContact CG2-CD1 4.33Å; L177-I234 HydrophobicContact CD2-CD1 3.28Å; P221-I234 CarbonylContact C-O 3.58Å; P221-I234 WeakPolarHBondContact CA-O 3.4Å; V222-I234 HydrophobicContact CB-CB 4.49Å; V222-I234 PolarHBondContact N-O 2.86Å; V222-I234 PolarHBondContact O-N 3.38Å; L224-I234 HydrophobicContact CD1-CD1 3.61Å; L224-I234 HydrophobicContact CD1-CG1 3.73Å; I234-V236 HydrophobicContact CB-CG2 4.4Å; I234-V236 HydrophobicContact CG2-CG2 3.79Å; I234-F243 HydrophobicContact CG2-CB 4.48Å; I234-I244 CarbonylContact C-O 3.53Å; I234-I244 WeakPolarHBondContact CA-O 3.26Å; I234-R245 HydrophobicContact CD1-CG 4.22Å; I234-R245 HydrophobicContact CG1-CG 4.27Å
235	F	91.4	Very high	87.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.8	170.9	-61.8	-71.2	0	0	0	109.4	L208 Y219 P221 F243 I244 L300 L301 P304 A307 F308	L208-F235 HydrophobicContact CD1-CD1 3.7Å; L208-F235 HydrophobicContact CD1-CE1 3.26Å; L208-F235 HydrophobicContact CD1-CZ 4.16Å; Y219-F235 HydrophobicContact CD1-CB 4.14Å; P221-F235 HydrophobicContact CB-CD1 4.15Å; P221-F235 HydrophobicContact CB-CE1 3.92Å; F235-F243 WeakPolarHBondContact O-CA 3.19Å; F235-I244 HydrophobicContact CB-CB 4.24Å; F235-I244 PolarHBondContact N-O 3.11Å; F235-I244 PolarHBondContact O-N 2.85Å; F235-L300 HydrophobicContact CZ-CD1 4.42Å; F235-L301 HydrophobicContact CB-CD2 4.47Å; F235-P304 HydrophobicContact CD2-CB 4.26Å; F235-P304 HydrophobicContact CE2-CB 4.17Å; F235-A307 HydrophobicContact CE2-CB 3.74Å; F235-A307 HydrophobicContact CZ-CB 3.59Å; F235-F308 AromaticContact CE1-CE2 3.65Å; F235-F308 HydrophobicContact CE1-CE2 3.65Å; F235-F308 HydrophobicContact CE1-CZ 4.31Å; F235-F308 HydrophobicContact CZ-CD2 4.19Å; F235-F308 AromaticContact CZ-CE2 3.65Å; F235-F308 HydrophobicContact CZ-CE2 3.65Å
236	V	92.4	Very high	86.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	-173.1	-175.4	0	0	0	0	110.5	F153 Y219 W220 V222 I234 V238 F243	F153-V236 HydrophobicContact CE1-CG1 4.14Å; F153-V236 HydrophobicContact CE1-CG2 4.41Å; F153-V236 HydrophobicContact CZ-CG1 3.74Å; Y219-V236 WeakPolarHBondContact CA-O 3.43Å; W220-V236 PolarHBondContact N-O 2.82Å; W220-V236 PolarHBondContact O-N 2.8Å; V222-V236 HydrophobicContact CB-CG2 4.49Å; V222-V236 HydrophobicContact CG2-CB 4.29Å; V222-V236 HydrophobicContact CG2-CG2 3.61Å; I234-V236 HydrophobicContact CB-CG2 4.4Å; I234-V236 HydrophobicContact CG2-CG2 3.79Å; V236-V238 HydrophobicContact CG1-CG1 3.77Å; V236-F243 HydrophobicContact CB-CD1 4.22Å; V236-F243 HydrophobicContact CB-CE1 4.42Å; V236-F243 HydrophobicContact CG1-CD1 3.55Å; V236-F243 HydrophobicContact CG1-CE1 3.31Å; V236-F243 HydrophobicContact CG1-CZ 4.21Å; V236-F243 HydrophobicContact CG2-CD1 3.85Å; V236-F243 HydrophobicContact CG2-CE1 4.35Å
237	N	91.4	Very high	86.1	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	97.3	163.2	-179.8	-24.9	0	0	0	107.1	Y218 Y219 H239 E240 R241 K242	Y218-N237 PolarHBondContact O-ND2 3.22Å; Y219-N237 HydrophobicContact CD1-CB 3.73Å; Y219-N237 HydrophobicContact CE1-CB 3.61Å; Y219-N237 HydrophobicContact CE2-CB 4.41Å; Y219-N237 HydrophobicContact CG-CB 4.21Å; N237-H239 PolarHBondContact O-N 3.18Å; N237-H239 WeakPolarHBondContact OD1-CB 3.44Å; N237-H239 PolarHBondContact OD1-N 2.58Å; N237-H239 VanDerWaalsContact OD1-N 3.14Å; N237-E240 HydrophobicContact CB-CB 4.41Å; N237-E240 PolarHBondContact ND2-OE1 3.19Å; N237-E240 PolarHBondContact O-N 2.88Å; N237-E240 PolarHBondContact OD1-N 3.36Å; N237-R241 WeakPolarHBondContact O-CA 3.45Å; N237-R241 PolarHBondContact O-N 2.96Å; N237-K242 PolarHBondContact N-O 3.37Å; N237-K242 PolarHBondContact O-N 3.08Å
238	V	90.4	Very high	86.1	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.2	-178.4	-65.9	0	0	0	0	112.5	Y143 F151 F153 V163 V236 R241	Y143-V238 HydrophobicContact CD1-CG2 3.74Å; Y143-V238 HydrophobicContact CD2-CG1 4.07Å; Y143-V238 HydrophobicContact CE1-CG2 3.37Å; Y143-V238 HydrophobicContact CE2-CG1 3.99Å; Y143-V238 HydrophobicContact CE2-CG2 4.26Å; Y143-V238 HydrophobicContact CG-CG1 4.35Å; Y143-V238 HydrophobicContact CG-CG2 4.31Å; F151-V238 HydrophobicContact CD1-CB 4.18Å; F151-V238 HydrophobicContact CD1-CG2 4.33Å; F151-V238 HydrophobicContact CD2-CG2 3.8Å; F151-V238 HydrophobicContact CE1-CB 4.36Å; F151-V238 HydrophobicContact CE1-CG2 4.43Å; F151-V238 HydrophobicContact CE2-CG2 3.94Å; F151-V238 HydrophobicContact CG-CB 4.25Å; F151-V238 HydrophobicContact CG-CG2 4.01Å; F151-V238 HydrophobicContact CZ-CG2 4.24Å; F153-V238 HydrophobicContact CE2-CG1 3.66Å; F153-V238 HydrophobicContact CZ-CG1 3.53Å; V163-V238 HydrophobicContact CG1-CG1 4.29Å; V236-V238 HydrophobicContact CG1-CG1 3.77Å; V238-R241 PolarHBondContact O-N 3.41Å
239	H	86.4	Confident	86.5	Confident	53 Å²	53	42.6 Å²	42.6	25%	0.245	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-39.7	-176.8	-53.9	-51.3	0	0	0	111.5	D145 K148 F151 N237 R241	D145-H239 IonicContact OD2-CD2 2.83Å; D145-H239 IonicContact OD2-CE1 3.02Å; D145-H239 IonicContact OD2-NE2 3.76Å; D145-H239 PolarHBondContact OD2-NE2 2.87Å; K148-H239 HydrophobicContact CD-CB 4.21Å; F151-H239 AromaticContact CE2-CE1 3.74Å; F151-H239 AromaticContact CE2-ND1 3.8Å; N237-H239 PolarHBondContact O-N 3.18Å; N237-H239 WeakPolarHBondContact OD1-CB 3.44Å; N237-H239 PolarHBondContact OD1-N 2.58Å; N237-H239 VanDerWaalsContact OD1-N 3.14Å; H239-R241 VanDerWaalsContact C-N 3.32Å
240	E	86.8	Confident	86.4	Confident	71 Å²	71	46 Å²	46	33%	0.332	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.4	173.4	-67.5	179.7	-146.9	0	0	113.1	S217 N237 K242	S217-E240 VanDerWaalsContact CB-OE1 3.23Å; S217-E240 WeakPolarHBondContact CB-OE1 3.33Å; S217-E240 PolarHBondContact OG-OE1 2.93Å; N237-E240 HydrophobicContact CB-CB 4.41Å; N237-E240 PolarHBondContact ND2-OE1 3.19Å; N237-E240 PolarHBondContact O-N 2.88Å; N237-E240 PolarHBondContact OD1-N 3.36Å; E240-K242 HydrophobicContact CB-CB 4.47Å; E240-K242 HydrophobicContact CB-CD 4.17Å; E240-K242 HydrophobicContact CB-CG 4.13Å; E240-K242 PolarHBondContact O-N 3.03Å; E240-K242 WeakPolarHBondContact OE2-CD 3.32Å; E240-K242 WeakPolarHBondContact OE2-CE 3.36Å; E240-K242 IonicContact OE2-NZ 3.28Å; E240-K242 PolarHBondContact OE2-NZ 2.89Å
241	R	87	Confident	86.4	Confident	149 Å²	149	41.5 Å²	41.5	56%	0.562	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.5	-172.6	-56.2	-172.4	-174.8	-174.8	2.9	112.9	L172 N237 V238 H239 F243	L172-R241 HydrophobicContact CD2-CG 3.96Å; N237-R241 WeakPolarHBondContact O-CA 3.45Å; N237-R241 PolarHBondContact O-N 2.96Å; V238-R241 PolarHBondContact O-N 3.41Å; H239-R241 VanDerWaalsContact C-N 3.32Å; R241-F243 VanDerWaalsContact C-CE2 3.44Å; R241-F243 HydrophobicContact CB-CE2 4.45Å; R241-F243 WeakPolarHBondContact O-CD2 3.46Å; R241-F243 WeakPolarHBondContact O-CE2 3.35Å
242	K	87.8	Confident	86.2	Confident	99 Å²	99	42.3 Å²	42.3	43%	0.43	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.7	178.3	-74.2	178.5	-174.5	160.9	0	110.8	Y219 N237 E240	Y219-K242 HydrophobicContact CE1-CB 4.11Å; Y219-K242 WeakPolarHBondContact OH-CD 3.16Å; N237-K242 PolarHBondContact N-O 3.37Å; N237-K242 PolarHBondContact O-N 3.08Å; E240-K242 HydrophobicContact CB-CB 4.47Å; E240-K242 HydrophobicContact CB-CD 4.17Å; E240-K242 HydrophobicContact CB-CG 4.13Å; E240-K242 PolarHBondContact O-N 3.03Å; E240-K242 WeakPolarHBondContact OE2-CD 3.32Å; E240-K242 WeakPolarHBondContact OE2-CE 3.36Å; E240-K242 IonicContact OE2-NZ 3.28Å; E240-K242 PolarHBondContact OE2-NZ 2.89Å
243	F	88.3	Confident	86.1	Confident	48 Å²	48	44.2 Å²	44.2	21%	0.211	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	110.1	179.7	-54.6	-93	0	0	0	107.9	V163 N173 I175 I234 F235 V236 R241	V163-F243 HydrophobicContact CG2-CE1 3.98Å; V163-F243 HydrophobicContact CG2-CZ 4.33Å; N173-F243 HydrophobicContact CB-CE2 4.06Å; N173-F243 HydrophobicContact CB-CZ 4.08Å; N173-F243 WeakPolarHBondContact ND2-CE2 3.22Å; N173-F243 WeakPolarHBondContact ND2-CZ 3.17Å; I175-F243 HydrophobicContact CD1-CB 4.31Å; I175-F243 HydrophobicContact CD1-CD1 3.17Å; I175-F243 HydrophobicContact CD1-CE1 3.56Å; I175-F243 HydrophobicContact CD1-CG 3.79Å; I175-F243 HydrophobicContact CD1-CZ 4.48Å; I175-F243 HydrophobicContact CG1-CD1 4.04Å; I175-F243 HydrophobicContact CG1-CE1 4.44Å; I175-F243 HydrophobicContact CG1-CG 4.2Å; I234-F243 HydrophobicContact CG2-CB 4.48Å; F235-F243 WeakPolarHBondContact O-CA 3.19Å; V236-F243 HydrophobicContact CB-CD1 4.22Å; V236-F243 HydrophobicContact CB-CE1 4.42Å; V236-F243 HydrophobicContact CG1-CD1 3.55Å; V236-F243 HydrophobicContact CG1-CE1 3.31Å; V236-F243 HydrophobicContact CG1-CZ 4.21Å; V236-F243 HydrophobicContact CG2-CD1 3.85Å; V236-F243 HydrophobicContact CG2-CE1 4.35Å; R241-F243 VanDerWaalsContact C-CE2 3.44Å; R241-F243 HydrophobicContact CB-CE2 4.45Å; R241-F243 WeakPolarHBondContact O-CD2 3.46Å; R241-F243 WeakPolarHBondContact O-CE2 3.35Å
244	I	86.6	Confident	85.2	Confident	37 Å²	37	53.4 Å²	53.4	19%	0.19	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.3	-176.5	-60.5	160.6	0	0	0	106.9	Y219 I234 F235 L301 P304	Y219-I244 HydrophobicContact CD1-CD1 4.42Å; Y219-I244 HydrophobicContact CE1-CD1 3.79Å; I234-I244 CarbonylContact C-O 3.53Å; I234-I244 WeakPolarHBondContact CA-O 3.26Å; F235-I244 HydrophobicContact CB-CB 4.24Å; F235-I244 PolarHBondContact N-O 3.11Å; F235-I244 PolarHBondContact O-N 2.85Å; I244-L301 HydrophobicContact CD1-CB 4.04Å; I244-L301 HydrophobicContact CD1-CD2 3.65Å; I244-L301 HydrophobicContact CD1-CG 4.34Å; I244-P304 HydrophobicContact CG2-CB 3.83Å; I244-P304 HydrophobicContact CG2-CG 3.73Å
245	R	80.4	Confident	83.9	Confident	122 Å²	122	60.4 Å²	60.4	46%	0.46	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.5	178.8	-63.3	-170	-177.9	100.9	-1.4	109.5	N176 I234 P304	N176-R245 VanDerWaalsContact O-CZ 3.27Å; N176-R245 PolarHBondContact O-NE 3.18Å; N176-R245 PolarHBondContact O-NH2 2.68Å; I234-R245 HydrophobicContact CD1-CG 4.22Å; I234-R245 HydrophobicContact CG1-CG 4.27Å; R245-P304 WeakPolarHBondContact O-CG 3.28Å
246	S	77.1	Confident	82.1	Confident	8 Å²	8	70.4 Å²	70.4	6%	0.056	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.8	162.2	-176.7	0	0	0	0	108.5	C233 P304	C233-S246 WeakPolarHBondContact O-CA 3.45Å; C233-S246 WeakPolarHBondContact O-CB 3.32Å; C233-S246 PolarHBondContact O-N 3.04Å; S246-P304 WeakPolarHBondContact CB-O 3.43Å; S246-P304 PolarHBondContact OG-O 3.27Å
247	G	73.5	Confident	80.5	Confident	22 Å²	22	76.7 Å²	76.7	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-169.7	170.3	0	0	0	0	0	113.6	L249 D305	G247-L249 PolarHBondContact O-N 3.25Å; G247-D305 PolarHBondContact N-OD1 3.18Å
248	Y	81.4	Confident	78.9	Confident	115 Å²	115	79.5 Å²	79.5	45%	0.451	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	132.5	173.5	-67.7	-100.3	0	0	0	110.2	L179 R230 F232	L179-Y248 HydrophobicContact CD1-CE1 4.5Å; L179-Y248 HydrophobicContact CD1-CE2 3.75Å; R230-Y248 HydrophobicContact CB-CD1 4.35Å; R230-Y248 HydrophobicContact CB-CE1 4.41Å; F232-Y248 AromaticContact CD1-CD1 3.96Å; F232-Y248 HydrophobicContact CD1-CD1 3.96Å; F232-Y248 HydrophobicContact CD1-CD2 4.44Å; F232-Y248 HydrophobicContact CD1-CE1 4.28Å; F232-Y248 HydrophobicContact CD1-CG 4.05Å; F232-Y248 AromaticContact CE1-CD1 3.07Å; F232-Y248 HydrophobicContact CE1-CD1 3.07Å; F232-Y248 AromaticContact CE1-CD2 3.75Å; F232-Y248 HydrophobicContact CE1-CD2 3.75Å; F232-Y248 AromaticContact CE1-CE1 3.04Å; F232-Y248 HydrophobicContact CE1-CE1 3.04Å; F232-Y248 AromaticContact CE1-CE2 3.68Å; F232-Y248 HydrophobicContact CE1-CE2 3.68Å; F232-Y248 AromaticContact CE1-CG 3.44Å; F232-Y248 HydrophobicContact CE1-CG 3.44Å; F232-Y248 VanDerWaalsContact CE1-CG 3.44Å; F232-Y248 AromaticContact CE1-CZ 3.3Å; F232-Y248 HydrophobicContact CE2-CD1 4.25Å; F232-Y248 HydrophobicContact CE2-CE1 4.12Å; F232-Y248 AromaticContact CZ-CD1 3.3Å; F232-Y248 HydrophobicContact CZ-CD1 3.3Å; F232-Y248 AromaticContact CZ-CE1 2.96Å; F232-Y248 HydrophobicContact CZ-CE1 2.96Å; F232-Y248 HydrophobicContact CZ-CE2 4.35Å; F232-Y248 HydrophobicContact CZ-CG 4.15Å; F232-Y248 AromaticContact CZ-CZ 3.52Å
249	L	86.6	Confident	77.9	Confident	14 Å²	14	82.1 Å²	82.1	7%	0.073	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.1	173	-57.7	-178.3	0	0	0	109.7	F223 L231 C233 G247 F308 V310	F223-L249 HydrophobicContact CD1-CD1 3.8Å; F223-L249 HydrophobicContact CE1-CD1 3.91Å; L231-L249 HydrophobicContact CB-CB 4Å; L231-L249 HydrophobicContact CB-CD1 4.27Å; L231-L249 HydrophobicContact CB-CG 4.47Å; L231-L249 PolarHBondContact O-N 3.11Å; C233-L249 HydrophobicContact CB-CD1 4.13Å; C233-L249 HydrophobicContact CB-CD2 4.2Å; C233-L249 HydrophobicContact CB-CG 4.43Å; G247-L249 PolarHBondContact O-N 3.25Å; L249-F308 HydrophobicContact CD1-CB 4.4Å; L249-F308 HydrophobicContact CD2-CB 4.11Å; L249-V310 HydrophobicContact CB-CG2 3.95Å; L249-V310 HydrophobicContact CD1-CG2 3.84Å
250	K	83.2	Confident	77	Confident	85 Å²	85	80.3 Å²	80.3	37%	0.37	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.4	174.8	-67.3	169.5	-172.5	144.3	0	108.7	D306 V310	K250-D306 WeakPolarHBondContact CE-OD1 3.14Å; K250-D306 VanDerWaalsContact NZ-CG 3.26Å; K250-D306 IonicContact NZ-OD1 2.75Å; K250-D306 PolarHBondContact NZ-OD1 2.76Å; K250-D306 IonicContact NZ-OD2 2.8Å; K250-D306 PolarHBondContact NZ-OD2 3.08Å; K250-V310 PolarHBondContact O-N 2.88Å; K250-V310 VanDerWaalsContact O-N 3.12Å
251	L	84.4	Confident	76.3	Confident	23 Å²	23	82.2 Å²	82.2	12%	0.12	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.8	171.4	-170.9	60.8	0	0	0	109.3	L231 Y259 V310 A312	L231-L251 HydrophobicContact CD1-CD1 4.34Å; L251-Y259 HydrophobicContact CD1-CE1 4.48Å; L251-Y259 HydrophobicContact CD2-CD1 3.31Å; L251-Y259 HydrophobicContact CD2-CD2 4.33Å; L251-Y259 HydrophobicContact CD2-CE1 3.18Å; L251-Y259 HydrophobicContact CD2-CE2 4.22Å; L251-Y259 HydrophobicContact CD2-CG 3.9Å; L251-Y259 HydrophobicContact CG-CD1 4.22Å; L251-Y259 HydrophobicContact CG-CE1 3.6Å; L251-Y259 HydrophobicContact CG-CE2 4.33Å; L251-V310 CarbonylContact C-O 3.4Å; L251-V310 WeakPolarHBondContact CA-O 3.38Å; L251-V310 HydrophobicContact CD1-CB 3.97Å; L251-V310 HydrophobicContact CD1-CG1 3.46Å; L251-V310 VanDerWaalsContact CD1-CG1 3.46Å; L251-A312 HydrophobicContact CD1-CB 4.28Å
252	S	85.6	Confident	76	Confident	21 Å²	21	78.1 Å²	78.1	15%	0.147	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.4	-178.1	-73.1	0	0	0	0	110.1	H309 V310 Y311 A312	S252-H309 PolarHBondContact OG-CE1 2.84Å; S252-H309 PolarHBondContact OG-NE2 3.48Å; S252-V310 PolarHBondContact N-O 3.31Å; S252-Y311 CarbonylContact O-C 3.58Å; S252-Y311 VanDerWaalsContact O-CA 3.3Å; S252-Y311 WeakPolarHBondContact O-CA 2.91Å; S252-A312 PolarHBondContact O-N 3.38Å
253	P	85	Confident	75.8	Confident	53 Å²	53	73.8 Å²	73.8	34%	0.344	35%	0.348	S	S	.	.	S	Bend	cis	-69.9	140.6	-1.3	28.5	-34.1	0	0	0	112.4	R255 Y259	P253-R255 PolarHBondContact O-N 2.69Å; P253-R255 VanDerWaalsContact O-N 3.15Å; P253-Y259 WeakPolarHBondContact O-CE2 3.36Å; P253-Y259 PolarHBondContact O-OH 3.29Å
254	R	71.7	Confident	75.5	Confident	193 Å²	193	74 Å²	74	73%	0.728	35%	0.352	S	S	*	.			trans	-66.8	116.1	174.3	-75.2	-176	175.1	-179.8	-2.8	109.3
255	R	64.6	Low	75.4	Confident	152 Å²	152	73.2 Å²	73.2	57%	0.574	35%	0.348	S	S	*	.			trans	-143.8	131.8	173.1	-81	-167	170.1	175.1	-1.7	108.9	P253 D257 N258 Y259	P253-R255 PolarHBondContact O-N 2.69Å; P253-R255 VanDerWaalsContact O-N 3.15Å; R255-D257 VanDerWaalsContact C-N 3.3Å; R255-D257 PolarHBondContact O-N 3.29Å; R255-N258 HydrophobicContact CB-CB 3.73Å; R255-Y259 WeakPolarHBondContact O-CD2 3.26Å
256	E	54.3	Low	75.8	Confident	210 Å²	210	67.5 Å²	67.5	98%	0.981	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-22	-173.3	-66.4	-172.2	162.7	0	0	113.2
257	D	59.1	Low	76.4	Confident	132 Å²	132	67.7 Å²	67.7	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-5.5	-173.9	58.8	-16.7	0	0	0	114.2	R255	R255-D257 VanDerWaalsContact C-N 3.3Å; R255-D257 PolarHBondContact O-N 3.29Å
258	N	57.2	Low	77.3	Confident	60 Å²	60	67.1 Å²	67.1	32%	0.321	32%	0.321	S	S	.	.	S	Bend	trans	-110.5	0.3	-160.7	-109.3	17.4	0	0	0	115.3	R255 Y287	R255-N258 HydrophobicContact CB-CB 3.73Å; N258-Y287 WeakPolarHBondContact O-CE1 3.46Å; N258-Y287 PolarHBondContact O-OH 3.05Å
259	Y	68.6	Low	77.6	Confident	57 Å²	57	61.9 Å²	61.9	22%	0.224	30%	0.301	C	S	.	.	S	Bend	trans	-120.4	129.4	-179	-61	-62.7	0	0	0	110.8	L251 P253 R255 Y287 A312	L251-Y259 HydrophobicContact CD1-CE1 4.48Å; L251-Y259 HydrophobicContact CD2-CD1 3.31Å; L251-Y259 HydrophobicContact CD2-CD2 4.33Å; L251-Y259 HydrophobicContact CD2-CE1 3.18Å; L251-Y259 HydrophobicContact CD2-CE2 4.22Å; L251-Y259 HydrophobicContact CD2-CG 3.9Å; L251-Y259 HydrophobicContact CG-CD1 4.22Å; L251-Y259 HydrophobicContact CG-CE1 3.6Å; L251-Y259 HydrophobicContact CG-CE2 4.33Å; P253-Y259 WeakPolarHBondContact O-CE2 3.36Å; P253-Y259 PolarHBondContact O-OH 3.29Å; R255-Y259 WeakPolarHBondContact O-CD2 3.26Å; Y259-Y287 HydrophobicContact CD1-CD1 4.28Å; Y259-Y287 AromaticContact CD1-CE1 3.99Å; Y259-Y287 HydrophobicContact CD1-CE1 3.99Å; Y259-Y287 HydrophobicContact CE1-CD1 4.38Å; Y259-Y287 HydrophobicContact CE1-CE1 4.36Å; Y259-A312 HydrophobicContact CE1-CB 4.15Å
260	E	68.8	Low	77.7	Confident	16 Å²	16	62.7 Å²	62.7	8%	0.075	31%	0.306	C	S	.	.			trans	-62.8	142.6	-175.5	-85.9	-138.5	-138.3	0	0	113.4	C229 N262 G281 S282 S283 Y287	C229-E260 WeakPolarHBondContact CB-O 3.23Å; E260-N262 VanDerWaalsContact C-N 3.34Å; E260-G281 WeakPolarHBondContact OE1-CA 3.24Å; E260-G281 VanDerWaalsContact OE2-CA 3.24Å; E260-G281 WeakPolarHBondContact OE2-CA 3.09Å; E260-S282 VanDerWaalsContact CD-N 3.34Å; E260-S282 PolarHBondContact OE1-N 3.47Å; E260-S282 WeakPolarHBondContact OE2-CA 3.28Å; E260-S282 PolarHBondContact OE2-N 2.9Å; E260-S282 PolarHBondContact OE2-OG 3.04Å; E260-S283 VanDerWaalsContact CD-OG 3.22Å; E260-S283 WeakPolarHBondContact OE1-CA 3.36Å; E260-S283 WeakPolarHBondContact OE1-CB 3.42Å; E260-S283 PolarHBondContact OE1-N 3.4Å; E260-S283 PolarHBondContact OE1-OG 2.59Å; E260-S283 PolarHBondContact OE2-N 2.88Å; E260-Y287 HydrophobicContact CB-CE2 4.34Å; E260-Y287 HydrophobicContact CG-CE2 4.02Å
261	T	71.1	Confident	77.4	Confident	111 Å²	111	62.5 Å²	62.5	68%	0.681	31%	0.309	S	S	*	.	S	Bend	trans	-82.7	-13.3	179.5	51.8	0	0	0	0	113.2	A227	A227-T261 CarbonylContact C-O 3.56Å; A227-T261 CarbonylContact O-C 3.51Å
262	N	81.3	Confident	77	Confident	62 Å²	62	63.5 Å²	63.5	33%	0.332	31%	0.312	S	S	.	.	S	Bend	trans	-143.8	99.1	-177	-172.7	27.6	0	0	0	112.2	A227 E260 G281 S282	A227-N262 CarbonylContact O-C 3.59Å; A227-N262 WeakPolarHBondContact O-CA 3.34Å; A227-N262 PolarHBondContact O-N 3.48Å; E260-N262 VanDerWaalsContact C-N 3.34Å; N262-G281 WeakPolarHBondContact O-CA 3.16Å; N262-S282 WeakPolarHBondContact O-CB 3.36Å; N262-S282 PolarHBondContact O-N 3.14Å; N262-S282 PolarHBondContact O-OG 2.75Å
263	V	84	Confident	76.9	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.8	174.7	179.5	0	0	0	0	110.4	V225 A227 C229 D265 I279 L280	V225-V263 HydrophobicContact CG1-CG1 4.12Å; V225-V263 HydrophobicContact CG2-CB 4.47Å; V225-V263 HydrophobicContact CG2-CG1 4.3Å; V225-V263 HydrophobicContact CG2-CG2 3.94Å; A227-V263 PolarHBondContact O-N 3.18Å; C229-V263 HydrophobicContact CB-CG2 3.64Å; V263-D265 WeakPolarHBondContact CG1-O 3.47Å; V263-I279 HydrophobicContact CG1-CG2 3.99Å; V263-I279 HydrophobicContact CG2-CG2 3.82Å; V263-L280 CarbonylContact C-O 3.47Å; V263-L280 WeakPolarHBondContact CA-O 3.45Å
264	L	80.8	Confident	77	Confident	53 Å²	53	64.2 Å²	64.2	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-44.4	177.4	-66.5	-179.2	0	0	0	112.7	L280 V327	L264-L280 HydrophobicContact CB-CD2 3.83Å; L264-L280 HydrophobicContact CB-CG 4.18Å; L264-L280 PolarHBondContact N-O 2.98Å; L264-V327 HydrophobicContact CD1-CB 4.14Å; L264-V327 HydrophobicContact CD1-CG1 3.37Å
265	D	85.4	Confident	77.9	Confident	20 Å²	20	55.6 Å²	55.6	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.7	177.5	-157	36	0	0	0	112.1	K201 V263 L280	K201-D265 IonicContact NZ-OD1 3.82Å; V263-D265 WeakPolarHBondContact CG1-O 3.47Å; D265-L280 HydrophobicContact CB-CD2 3.74Å; D265-L280 PolarHBondContact N-O 3.1Å; D265-L280 PolarHBondContact O-N 3.44Å
266	F	89	Confident	79.3	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	133.2	-172.2	-178.3	-109.2	0	0	0	111.3	K201 A203 F223 V225 L231 L277 L278 I279	K201-F266 HydrophobicContact CB-CB 3.71Å; K201-F266 HydrophobicContact CB-CD1 4.39Å; K201-F266 HydrophobicContact CB-CG 4.47Å; K201-F266 HydrophobicContact CG-CB 4.26Å; A203-F266 HydrophobicContact CB-CD1 3.91Å; A203-F266 HydrophobicContact CB-CE1 3.67Å; F223-F266 HydrophobicContact CB-CE1 3.92Å; F223-F266 HydrophobicContact CB-CZ 3.77Å; V225-F266 HydrophobicContact CB-CD2 4.23Å; V225-F266 HydrophobicContact CB-CE2 4.43Å; V225-F266 HydrophobicContact CB-CG 4.28Å; V225-F266 HydrophobicContact CG1-CB 3.68Å; V225-F266 HydrophobicContact CG1-CD1 3.99Å; V225-F266 HydrophobicContact CG1-CD2 3.95Å; V225-F266 HydrophobicContact CG1-CG 3.6Å; L231-F266 HydrophobicContact CD2-CE2 3.94Å; L231-F266 HydrophobicContact CD2-CZ 4.23Å; F266-L277 HydrophobicContact CE2-CB 4.07Å; F266-L277 HydrophobicContact CE2-CD2 4.5Å; F266-L277 HydrophobicContact CZ-CB 4.42Å; F266-L277 HydrophobicContact CZ-CD1 4.38Å; F266-L277 HydrophobicContact CZ-CD2 4.02Å; F266-L278 WeakPolarHBondContact CA-O 2.93Å; F266-L278 WeakPolarHBondContact CD2-O 3.36Å; F266-I279 HydrophobicContact CD2-CG1 3.93Å; F266-I279 HydrophobicContact CE2-CG1 3.93Å
267	A	89.7	Confident	81.1	Confident	13 Å²	13	38.5 Å²	38.5	11%	0.107	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	171.5	170.7	0	0	0	0	0	111.5	L277 L278 L337	A267-L277 WeakPolarHBondContact O-CA 3.29Å; A267-L278 PolarHBondContact N-O 3.37Å; A267-L278 VanDerWaalsContact N-O 3.11Å; A267-L278 PolarHBondContact O-N 2.88Å; A267-L337 HydrophobicContact CB-CB 3.68Å; A267-L337 HydrophobicContact CB-CD1 3.4Å; A267-L337 VanDerWaalsContact CB-CD1 3.4Å; A267-L337 HydrophobicContact CB-CG 4.14Å
268	C	91.3	Very high	82.6	Confident	9 Å²	9	32.3 Å²	32.3	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	110.5	178.1	177.9	0	0	0	0	109	A203 F204 I276 L277	A203-C268 HydrophobicContact CB-CB 3.58Å; F204-C268 WeakPolarHBondContact O-CB 3.04Å; F204-C268 PolarHBondContact O-SG 3.15Å; C268-I276 CarbonylContact C-O 3.55Å; C268-I276 WeakPolarHBondContact CA-O 3.45Å; C268-L277 HydrophobicContact CB-CD2 3.82Å
269	M	88.9	Confident	84.2	Confident	6 Å²	6	29.5 Å²	29.5	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.7	174	-58.8	176.6	68.4	0	0	109.7	I276 L278 E339 P344 Y347 L360	M269-I276 HydrophobicContact CB-CB 4.28Å; M269-I276 PolarHBondContact N-O 3.49Å; M269-I276 PolarHBondContact O-N 3.33Å; M269-L278 HydrophobicContact CG-CD1 3.88Å; M269-L278 HydrophobicContact CG-CG 4.28Å; M269-L278 HydrophobicContact SD-CD1 3.77Å; M269-L278 HydrophobicContact SD-CD2 4.25Å; M269-L278 HydrophobicContact SD-CG 4.31Å; M269-E339 WeakPolarHBondContact CA-OE1 3.42Å; M269-E339 HydrophobicContact CG-CG 4.26Å; M269-P344 WeakPolarHBondContact CE-O 3.07Å; M269-Y347 HydrophobicContact CE-CD1 4.48Å; M269-Y347 HydrophobicContact SD-CD1 3.77Å; M269-Y347 HydrophobicContact SD-CE1 4.45Å; M269-Y347 HydrophobicContact SD-CG 4.49Å; M269-L360 HydrophobicContact SD-CD1 3.84Å
270	T	87.5	Confident	85	Confident	31 Å²	31	27 Å²	27	19%	0.19	16%	0.164	C	C	.	.			trans	-125.9	-6.7	-173	55.9	0	0	0	0	114.3	L206 F272 G273	L206-T270 HydrophobicContact CD2-CG2 4.44Å; L206-T270 WeakPolarHBondContact CD2-O 3.13Å; L206-T270 HydrophobicContact CG-CG2 4.01Å; T270-F272 PolarHBondContact O-N 3.04Å; T270-G273 PolarHBondContact O-N 3.37Å
271	N	77.7	Confident	85.7	Confident	80 Å²	80	26.3 Å²	26.3	43%	0.428	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	0.3	-168.4	-59.4	-37.6	0	0	0	115.6	E339 P344	N271-E339 PolarHBondContact ND2-OE2 2.86Å; N271-P344 HydrophobicContact CB-CB 3.3Å; N271-P344 HydrophobicContact CB-CG 4.44Å
272	F	76	Confident	86.2	Confident	44 Å²	44	22.1 Å²	22.1	19%	0.193	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	12.6	-177.4	-87.1	-65.2	0	0	0	114.8	T270 I274 P344 L345 V363 L367	T270-F272 PolarHBondContact O-N 3.04Å; F272-I274 HydrophobicContact CB-CG1 4.09Å; F272-I274 PolarHBondContact O-N 2.85Å; F272-P344 HydrophobicContact CD2-CB 3.88Å; F272-P344 HydrophobicContact CD2-CG 4.31Å; F272-P344 HydrophobicContact CE1-CG 4.12Å; F272-P344 HydrophobicContact CE2-CB 3.39Å; F272-P344 HydrophobicContact CE2-CG 3.51Å; F272-P344 WeakPolarHBondContact CE2-O 3.36Å; F272-P344 HydrophobicContact CZ-CB 3.85Å; F272-P344 HydrophobicContact CZ-CG 3.38Å; F272-L345 HydrophobicContact CD2-CD2 4Å; F272-L345 HydrophobicContact CE1-CD2 4.3Å; F272-L345 HydrophobicContact CE2-CB 4.31Å; F272-L345 HydrophobicContact CE2-CD2 3.11Å; F272-L345 HydrophobicContact CE2-CG 3.44Å; F272-L345 VanDerWaalsContact CE2-CG 3.44Å; F272-L345 HydrophobicContact CZ-CD1 4.19Å; F272-L345 HydrophobicContact CZ-CD2 3.31Å; F272-L345 HydrophobicContact CZ-CG 3.41Å; F272-L345 VanDerWaalsContact CZ-CG 3.41Å; F272-V363 HydrophobicContact CB-CG1 4.26Å; F272-V363 HydrophobicContact CD2-CG1 3.83Å; F272-V363 HydrophobicContact CE2-CG1 4.34Å; F272-V363 HydrophobicContact CG-CG1 3.99Å; F272-L367 HydrophobicContact CB-CD1 3.87Å; F272-L367 HydrophobicContact CD1-CD1 3.61Å; F272-L367 HydrophobicContact CE1-CD1 4.49Å; F272-L367 HydrophobicContact CG-CD1 3.98Å
273	G	82.2	Confident	86	Confident	61 Å²	61	21.7 Å²	21.7	63%	0.629	14%	0.138	S	C	*	.	S	Bend	trans	70.7	8.4	-175	0	0	0	0	0	113.5	L206 T270	L206-G273 WeakPolarHBondContact CD1-O 3.36Å; T270-G273 PolarHBondContact O-N 3.37Å
274	I	87.4	Confident	85.7	Confident	28 Å²	28	21.3 Å²	21.3	14%	0.144	14%	0.135	C	C	.	.	S	Bend	trans	-128.6	154.2	170.7	60.8	170	0	0	0	110.2	L206 F272 I276 L290 V363 F366 L367	L206-I274 VanDerWaalsContact CD1-N 3.32Å; F272-I274 HydrophobicContact CB-CG1 4.09Å; F272-I274 PolarHBondContact O-N 2.85Å; I274-I276 HydrophobicContact CD1-CD1 4.12Å; I274-I276 HydrophobicContact CD1-CG1 4.08Å; I274-I276 HydrophobicContact CG1-CD1 4.42Å; I274-I276 HydrophobicContact CG1-CG1 4.17Å; I274-L290 HydrophobicContact CD1-CD2 3.88Å; I274-V363 HydrophobicContact CD1-CG1 4.11Å; I274-F366 HydrophobicContact CD1-CD1 4.46Å; I274-L367 HydrophobicContact CD1-CD2 4.21Å; I274-L367 HydrophobicContact CG1-CD2 4.48Å; I274-L367 HydrophobicContact CG2-CD2 3.89Å
275	N	91.7	Very high	86	Confident	12 Å²	12	21.8 Å²	21.8	6%	0.064	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.1	175.9	-65.8	-54.6	0	0	0	110.1	G205 L206 F223 A291	G205-N275 VanDerWaalsContact CA-OD1 3.26Å; G205-N275 WeakPolarHBondContact CA-OD1 3.4Å; L206-N275 PolarHBondContact N-OD1 3.36Å; F223-N275 HydrophobicContact CE2-CB 4.26Å; F223-N275 HydrophobicContact CZ-CB 4.48Å; N275-A291 HydrophobicContact CB-CB 3.9Å; N275-A291 PolarHBondContact O-N 3.35Å
276	I	92.5	Very high	86.1	Confident	4 Å²	4	21 Å²	21	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	106.9	173.7	-50.1	178.2	0	0	0	108.6	C268 M269 I274 L278 C289 L290 L360 V363	C268-I276 CarbonylContact C-O 3.55Å; C268-I276 WeakPolarHBondContact CA-O 3.45Å; M269-I276 HydrophobicContact CB-CB 4.28Å; M269-I276 PolarHBondContact N-O 3.49Å; M269-I276 PolarHBondContact O-N 3.33Å; I274-I276 HydrophobicContact CD1-CD1 4.12Å; I274-I276 HydrophobicContact CD1-CG1 4.08Å; I274-I276 HydrophobicContact CG1-CD1 4.42Å; I274-I276 HydrophobicContact CG1-CG1 4.17Å; I276-L278 HydrophobicContact CG2-CD2 4.11Å; I276-C289 CarbonylContact C-O 3.57Å; I276-C289 WeakPolarHBondContact CA-O 3.16Å; I276-L290 HydrophobicContact CG1-CD2 4.2Å; I276-L360 HydrophobicContact CG2-CD1 4.47Å; I276-V363 HydrophobicContact CD1-CB 4.25Å; I276-V363 HydrophobicContact CD1-CG1 3.82Å; I276-V363 HydrophobicContact CD1-CG2 3.37Å
277	L	92.9	Very high	86.1	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.6	174.4	-50.4	-178.6	0	0	0	109.2	F223 L231 F266 A267 C268 C289 A291 V310	F223-L277 HydrophobicContact CB-CD2 4.07Å; F223-L277 HydrophobicContact CD1-CD1 4.2Å; F223-L277 HydrophobicContact CD1-CD2 4.28Å; F223-L277 HydrophobicContact CD2-CD2 3.56Å; F223-L277 HydrophobicContact CE2-CD2 3.99Å; F223-L277 HydrophobicContact CG-CD1 4.36Å; F223-L277 HydrophobicContact CG-CD2 3.71Å; L231-L277 HydrophobicContact CD1-CD1 4.15Å; F266-L277 HydrophobicContact CE2-CB 4.07Å; F266-L277 HydrophobicContact CE2-CD2 4.5Å; F266-L277 HydrophobicContact CZ-CB 4.42Å; F266-L277 HydrophobicContact CZ-CD1 4.38Å; F266-L277 HydrophobicContact CZ-CD2 4.02Å; A267-L277 WeakPolarHBondContact O-CA 3.29Å; C268-L277 HydrophobicContact CB-CD2 3.82Å; L277-C289 HydrophobicContact CB-CB 4.1Å; L277-C289 PolarHBondContact N-O 3.1Å; L277-C289 PolarHBondContact O-N 3.13Å; L277-A291 HydrophobicContact CD1-CB 4.08Å; L277-A291 HydrophobicContact CG-CB 4.06Å; L277-V310 HydrophobicContact CD1-CG1 4.1Å; L277-V310 HydrophobicContact CD1-CG2 4.31Å
278	L	91.5	Very high	86.2	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.7	174.4	-56.4	-175.9	0	0	0	107.4	F266 A267 M269 I276 H288 L337 Y347 L360	F266-L278 WeakPolarHBondContact CA-O 2.93Å; F266-L278 WeakPolarHBondContact CD2-O 3.36Å; A267-L278 PolarHBondContact N-O 3.37Å; A267-L278 VanDerWaalsContact N-O 3.11Å; A267-L278 PolarHBondContact O-N 2.88Å; M269-L278 HydrophobicContact CG-CD1 3.88Å; M269-L278 HydrophobicContact CG-CG 4.28Å; M269-L278 HydrophobicContact SD-CD1 3.77Å; M269-L278 HydrophobicContact SD-CD2 4.25Å; M269-L278 HydrophobicContact SD-CG 4.31Å; I276-L278 HydrophobicContact CG2-CD2 4.11Å; L278-H288 WeakPolarHBondContact CD2-CD2 3.38Å; L278-L337 HydrophobicContact CB-CD1 3.8Å; L278-L337 HydrophobicContact CB-CD2 4.45Å; L278-L337 HydrophobicContact CD1-CD1 4.16Å; L278-L337 HydrophobicContact CD1-CD2 3.65Å; L278-L337 HydrophobicContact CD1-CG 4.4Å; L278-Y347 HydrophobicContact CD1-CD1 3.82Å; L278-Y347 HydrophobicContact CD1-CD2 4.15Å; L278-Y347 HydrophobicContact CD1-CE1 3.86Å; L278-Y347 HydrophobicContact CD1-CE2 4.15Å; L278-Y347 HydrophobicContact CD1-CG 3.96Å; L278-Y347 HydrophobicContact CD2-CE1 4.12Å; L278-L360 HydrophobicContact CD2-CD1 4.45Å
279	I	89.8	Confident	86.2	Confident	1 Å²	1	20 Å²	20	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.5	178.2	-47.9	170.6	0	0	0	107.5	L231 V263 F266 I286 Y287	L231-I279 HydrophobicContact CD1-CD1 4.02Å; L231-I279 HydrophobicContact CD2-CD1 4.12Å; L231-I279 HydrophobicContact CG-CD1 4.43Å; V263-I279 HydrophobicContact CG1-CG2 3.99Å; V263-I279 HydrophobicContact CG2-CG2 3.82Å; F266-I279 HydrophobicContact CD2-CG1 3.93Å; F266-I279 HydrophobicContact CE2-CG1 3.93Å; I279-I286 CarbonylContact O-C 3.44Å; I279-I286 WeakPolarHBondContact O-CA 3.11Å; I279-Y287 HydrophobicContact CB-CD2 4.39Å; I279-Y287 PolarHBondContact N-O 3.31Å; I279-Y287 WeakPolarHBondContact O-CD2 3.3Å; I279-Y287 PolarHBondContact O-N 3.32Å
280	L	85.9	Confident	86.4	Confident	5 Å²	5	19.9 Å²	19.9	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.2	176.8	162.2	81.4	0	0	0	108.7	V263 L264 D265 I286 L335	V263-L280 CarbonylContact C-O 3.47Å; V263-L280 WeakPolarHBondContact CA-O 3.45Å; L264-L280 HydrophobicContact CB-CD2 3.83Å; L264-L280 HydrophobicContact CB-CG 4.18Å; L264-L280 PolarHBondContact N-O 2.98Å; D265-L280 HydrophobicContact CB-CD2 3.74Å; D265-L280 PolarHBondContact N-O 3.1Å; D265-L280 PolarHBondContact O-N 3.44Å; L280-I286 HydrophobicContact CD1-CD1 4.49Å; L280-I286 HydrophobicContact CD1-CG1 3.67Å; L280-L335 HydrophobicContact CD1-CD1 3.5Å; L280-L335 VanDerWaalsContact CD1-CD1 3.5Å; L280-L335 HydrophobicContact CD2-CB 3.39Å; L280-L335 HydrophobicContact CD2-CD1 3.04Å; L280-L335 HydrophobicContact CD2-CG 3.68Å; L280-L335 HydrophobicContact CG-CD1 3.75Å
281	G	84.1	Confident	86.6	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	168.9	174.7	0	0	0	0	0	115.1	E260 N262 S283 G284 Q285	E260-G281 WeakPolarHBondContact OE1-CA 3.24Å; E260-G281 VanDerWaalsContact OE2-CA 3.24Å; E260-G281 WeakPolarHBondContact OE2-CA 3.09Å; N262-G281 WeakPolarHBondContact O-CA 3.16Å; G281-S283 VanDerWaalsContact C-N 3.26Å; G281-S283 PolarHBondContact O-N 3.12Å; G281-G284 PolarHBondContact O-N 3.36Å; G281-G284 VanDerWaalsContact O-N 3.09Å; G281-Q285 PolarHBondContact N-O 3.23Å
282	S	79.9	Confident	87.1	Confident	22 Å²	22	18.2 Å²	18.2	15%	0.154	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.6	176.7	68.4	0	0	0	0	117.1	E260 N262 G284 V327	E260-S282 VanDerWaalsContact CD-N 3.34Å; E260-S282 PolarHBondContact OE1-N 3.47Å; E260-S282 WeakPolarHBondContact OE2-CA 3.28Å; E260-S282 PolarHBondContact OE2-N 2.9Å; E260-S282 PolarHBondContact OE2-OG 3.04Å; N262-S282 WeakPolarHBondContact O-CB 3.36Å; N262-S282 PolarHBondContact O-N 3.14Å; N262-S282 PolarHBondContact O-OG 2.75Å; S282-G284 VanDerWaalsContact C-N 3.26Å; S282-V327 WeakPolarHBondContact O-CB 3.39Å; S282-V327 WeakPolarHBondContact O-CG2 3.34Å
283	S	78	Confident	87.7	Confident	54 Å²	54	20.1 Å²	20.1	38%	0.378	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.8	172	79.7	0	0	0	0	112.2	E260 G281 Q285 S319	E260-S283 VanDerWaalsContact CD-OG 3.22Å; E260-S283 WeakPolarHBondContact OE1-CA 3.36Å; E260-S283 WeakPolarHBondContact OE1-CB 3.42Å; E260-S283 PolarHBondContact OE1-N 3.4Å; E260-S283 PolarHBondContact OE1-OG 2.59Å; E260-S283 PolarHBondContact OE2-N 2.88Å; G281-S283 VanDerWaalsContact C-N 3.26Å; G281-S283 PolarHBondContact O-N 3.12Å; S283-Q285 VanDerWaalsContact OG-CG 3.3Å; S283-Q285 WeakPolarHBondContact OG-CG 3.45Å; S283-Q285 PolarHBondContact OG-N 2.98Å; S283-Q285 PolarHBondContact OG-OE1 2.7Å; S283-S319 WeakPolarHBondContact O-CB 3.43Å
284	G	78.2	Confident	87.6	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	86.2	20.5	-172.3	0	0	0	0	0	112.8	G281 S282 V318 S319	G281-G284 PolarHBondContact O-N 3.36Å; G281-G284 VanDerWaalsContact O-N 3.09Å; S282-G284 VanDerWaalsContact C-N 3.26Å; G284-V318 WeakPolarHBondContact O-CG2 3.47Å; G284-V318 PolarHBondContact O-N 2.83Å; G284-S319 PolarHBondContact O-N 3.4Å
285	Q	85.5	Confident	87.2	Confident	62 Å²	62	24.6 Å²	24.6	29%	0.29	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	140.7	169.6	-72.3	174	-21.3	0	0	110.3	G281 S283 Y287 V315	G281-Q285 PolarHBondContact N-O 3.23Å; S283-Q285 VanDerWaalsContact OG-CG 3.3Å; S283-Q285 WeakPolarHBondContact OG-CG 3.45Å; S283-Q285 PolarHBondContact OG-N 2.98Å; S283-Q285 PolarHBondContact OG-OE1 2.7Å; Q285-Y287 HydrophobicContact CB-CE2 3.95Å; Q285-Y287 PolarHBondContact OE1-OH 2.75Å; Q285-V315 HydrophobicContact CB-CG1 3.87Å; Q285-V315 HydrophobicContact CG-CG1 4.05Å
286	I	87.8	Confident	86.6	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.2	174.1	-56.3	160.3	0	0	0	107.9	I279 L280 V315 L316 V318 I349	I279-I286 CarbonylContact O-C 3.44Å; I279-I286 WeakPolarHBondContact O-CA 3.11Å; L280-I286 HydrophobicContact CD1-CD1 4.49Å; L280-I286 HydrophobicContact CD1-CG1 3.67Å; I286-V315 CarbonylContact O-C 3.56Å; I286-V315 WeakPolarHBondContact O-CA 3.46Å; I286-L316 HydrophobicContact CB-CB 4.38Å; I286-L316 HydrophobicContact CD1-CD2 4.39Å; I286-L316 PolarHBondContact N-O 2.66Å; I286-L316 PolarHBondContact O-N 2.93Å; I286-V318 HydrophobicContact CD1-CB 4.47Å; I286-V318 HydrophobicContact CD1-CG1 3.74Å; I286-V318 HydrophobicContact CD1-CG2 3.82Å; I286-V318 HydrophobicContact CG1-CG2 4.21Å; I286-I349 HydrophobicContact CD1-CD1 3.21Å
287	Y	89.3	Confident	85.9	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.9	176.1	-56.7	-100.3	0	0	0	108.2	N258 Y259 E260 I279 Q285 V315	N258-Y287 WeakPolarHBondContact O-CE1 3.46Å; N258-Y287 PolarHBondContact O-OH 3.05Å; Y259-Y287 HydrophobicContact CD1-CD1 4.28Å; Y259-Y287 AromaticContact CD1-CE1 3.99Å; Y259-Y287 HydrophobicContact CD1-CE1 3.99Å; Y259-Y287 HydrophobicContact CE1-CD1 4.38Å; Y259-Y287 HydrophobicContact CE1-CE1 4.36Å; E260-Y287 HydrophobicContact CB-CE2 4.34Å; E260-Y287 HydrophobicContact CG-CE2 4.02Å; I279-Y287 HydrophobicContact CB-CD2 4.39Å; I279-Y287 PolarHBondContact N-O 3.31Å; I279-Y287 WeakPolarHBondContact O-CD2 3.3Å; I279-Y287 PolarHBondContact O-N 3.32Å; Q285-Y287 HydrophobicContact CB-CE2 3.95Å; Q285-Y287 PolarHBondContact OE1-OH 2.75Å; Y287-V315 HydrophobicContact CD1-CG1 4.3Å; Y287-V315 HydrophobicContact CD1-CG2 3.55Å; Y287-V315 HydrophobicContact CE1-CG1 4.09Å; Y287-V315 HydrophobicContact CE1-CG2 3.66Å; Y287-V315 HydrophobicContact CG-CG2 4.44Å
288	H	91.3	Very high	85	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	102.9	170.5	-57.6	96.5	0	0	0	108	L278 Y313 E314 Y347 L360 W362	L278-H288 WeakPolarHBondContact CD2-CD2 3.38Å; H288-Y313 PolarHBondContact O-N 3.01Å; H288-E314 HydrophobicContact CB-CG 3.65Å; H288-E314 IonicContact CE1-OE1 3.66Å; H288-E314 IonicContact CG-OE1 2.83Å; H288-E314 PolarHBondContact N-O 3.09Å; H288-E314 WeakPolarHBondContact ND1-CG 3.43Å; H288-E314 IonicContact ND1-OE1 3.36Å; H288-E314 PolarHBondContact ND1-OE1 3.33Å; H288-E314 VanDerWaalsContact ND1-OE1 3.07Å; H288-Y347 AromaticContact NE2-CE1 3.76Å; H288-Y347 AromaticContact NE2-CZ 3.68Å; H288-Y347 PolarHBondContact NE2-OH 2.95Å; H288-L360 VanDerWaalsContact CD2-CD2 3.43Å; H288-L360 WeakPolarHBondContact CD2-CD2 3.46Å; H288-L360 WeakPolarHBondContact NE2-CD2 3.39Å; H288-W362 HydrophobicContact CB-CZ2 4.08Å
289	C	92.3	Very high	84.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	-171.2	-62.6	0	0	0	0	111.2	I276 L277 V310 Y311	I276-C289 CarbonylContact C-O 3.57Å; I276-C289 WeakPolarHBondContact CA-O 3.16Å; L277-C289 HydrophobicContact CB-CB 4.1Å; L277-C289 PolarHBondContact N-O 3.1Å; L277-C289 PolarHBondContact O-N 3.13Å; C289-V310 HydrophobicContact CB-CG1 3.69Å; C289-Y311 CarbonylContact C-O 3.6Å; C289-Y311 VanDerWaalsContact CA-O 3.23Å; C289-Y311 WeakPolarHBondContact CA-O 3.5Å
290	L	92.4	Very high	83.6	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119	171.2	-68.1	170.4	0	0	0	109.7	I274 I276 L292 V310 Y311 Y313 W362 F366	I274-L290 HydrophobicContact CD1-CD2 3.88Å; I276-L290 HydrophobicContact CG1-CD2 4.2Å; L290-L292 HydrophobicContact CB-CD2 4.25Å; L290-L292 HydrophobicContact CB-CG 4.19Å; L290-L292 PolarHBondContact O-N 3.05Å; L290-V310 CarbonylContact O-C 3.56Å; L290-V310 WeakPolarHBondContact O-CA 3.37Å; L290-Y311 PolarHBondContact N-O 2.69Å; L290-Y311 PolarHBondContact O-N 2.79Å; L290-Y313 HydrophobicContact CD1-CD2 4.36Å; L290-W362 HydrophobicContact CD1-CH2 4.36Å; L290-W362 HydrophobicContact CD1-CZ3 4.1Å; L290-W362 HydrophobicContact CD2-CH2 3.8Å; L290-W362 HydrophobicContact CD2-CZ3 3.94Å; L290-W362 HydrophobicContact CG-CH2 4Å; L290-W362 HydrophobicContact CG-CZ3 4.2Å; L290-F366 HydrophobicContact CD1-CE1 4.42Å; L290-F366 HydrophobicContact CD1-CE2 4.24Å; L290-F366 HydrophobicContact CD1-CZ 4.1Å
291	A	92.5	Very high	83	Confident	5 Å²	5	37.4 Å²	37.4	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	94	170.2	0	0	0	0	0	109.5	F223 N275 L277 F308 V310	F223-A291 HydrophobicContact CE1-CB 4.1Å; F223-A291 HydrophobicContact CZ-CB 3.86Å; N275-A291 HydrophobicContact CB-CB 3.9Å; N275-A291 PolarHBondContact O-N 3.35Å; L277-A291 HydrophobicContact CD1-CB 4.08Å; L277-A291 HydrophobicContact CG-CB 4.06Å; A291-F308 HydrophobicContact CB-CD1 4.33Å; A291-V310 HydrophobicContact CB-CG2 4.38Å
292	L	88.8	Confident	82.7	Confident	72 Å²	72	43.5 Å²	43.5	38%	0.377	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.1	-176.5	-59.1	176.6	0	0	0	110.3	L290 H294 F308 H309	L290-L292 HydrophobicContact CB-CD2 4.25Å; L290-L292 HydrophobicContact CB-CG 4.19Å; L290-L292 PolarHBondContact O-N 3.05Å; L292-H294 PolarHBondContact O-N 2.59Å; L292-F308 CarbonylContact O-C 3.51Å; L292-F308 WeakPolarHBondContact O-CA 3.24Å; L292-H309 PolarHBondContact N-O 3.05Å; L292-H309 PolarHBondContact O-N 2.87Å
293	Q	87.1	Confident	82.7	Confident	84 Å²	84	49.3 Å²	49.3	39%	0.393	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	119.8	175	176.6	172.5	-2.9	0	0	109.3	L208 K295 S297 L300 F308	L208-Q293 VanDerWaalsContact CD2-OE1 3.29Å; Q293-K295 WeakPolarHBondContact CG-O 3.15Å; Q293-K295 PolarHBondContact NE2-O 3.22Å; Q293-S297 PolarHBondContact NE2-OG 3.1Å; Q293-L300 HydrophobicContact CG-CD1 4.1Å; Q293-F308 HydrophobicContact CB-CD1 4.31Å; Q293-F308 HydrophobicContact CB-CE1 4.02Å
294	H	81.3	Confident	82.7	Confident	136 Å²	136	47.6 Å²	47.6	63%	0.63	24%	0.243	S	C	*	.			trans	-92.6	-26.1	-176.6	-172.5	52.3	0	0	0	113	L292 A307	L292-H294 PolarHBondContact O-N 2.59Å; H294-A307 PolarHBondContact N-O 3.21Å
295	K	78.9	Confident	82.7	Confident	46 Å²	46	52 Å²	52	20%	0.2	27%	0.267	C	S	.	.	S	Bend	trans	-121.4	149.6	-177.9	-68.1	175.9	178.7	167.4	0	111.5	Q293 E299 L300 K303 D305	Q293-K295 WeakPolarHBondContact CG-O 3.15Å; Q293-K295 PolarHBondContact NE2-O 3.22Å; K295-E299 HydrophobicContact CB-CB 4.47Å; K295-L300 HydrophobicContact CB-CD2 3.74Å; K295-L300 HydrophobicContact CB-CG 4.17Å; K295-L300 HydrophobicContact CD-CD2 4.4Å; K295-K303 PolarHBondContact NZ-O 3.06Å; K295-D305 PolarHBondContact NZ-O 3.42Å
296	P	77.6	Confident	82.3	Confident	67 Å²	67	52 Å²	52	44%	0.435	27%	0.269	S	S	.	.			trans	-61.3	149.4	174	27.7	-34.7	0	0	0	111.1	S298 E299 L300	P296-S298 PolarHBondContact O-N 3.02Å; P296-E299 HydrophobicContact CG-CB 4.24Å; P296-E299 HydrophobicContact CG-CG 3.96Å; P296-E299 PolarHBondContact O-N 2.93Å; P296-L300 PolarHBondContact O-N 3.05Å
297	S	78.5	Confident	82	Confident	32 Å²	32	51.9 Å²	51.9	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-27.6	-173.7	-53.4	0	0	0	0	114.1	A209 Q293	A209-S297 WeakPolarHBondContact O-CB 3.33Å; Q293-S297 PolarHBondContact NE2-OG 3.1Å
298	S	74.2	Confident	81.9	Confident	64 Å²	64	52 Å²	52	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-37.8	176.2	48.8	0	0	0	0	113.4	P296	P296-S298 PolarHBondContact O-N 3.02Å
299	E	76.8	Confident	81.8	Confident	103 Å²	103	55.4 Å²	55.4	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-82.7	-28.2	-179.2	-70.4	-178.7	-165.9	0	0	112.6	K295 P296 L301 I302 K303	K295-E299 HydrophobicContact CB-CB 4.47Å; P296-E299 HydrophobicContact CG-CB 4.24Å; P296-E299 HydrophobicContact CG-CG 3.96Å; P296-E299 PolarHBondContact O-N 2.93Å; E299-L301 PolarHBondContact O-N 3.24Å; E299-I302 PolarHBondContact O-N 3.45Å; E299-I302 VanDerWaalsContact O-N 3.08Å; E299-K303 PolarHBondContact O-N 3.33Å
300	L	75.4	Confident	81.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-35.2	-178.4	-73.5	-177.3	0	0	0	113.3	L208 F235 Q293 K295 P296 I302 P304 A307	L208-L300 HydrophobicContact CD1-CD1 3.58Å; F235-L300 HydrophobicContact CZ-CD1 4.42Å; Q293-L300 HydrophobicContact CG-CD1 4.1Å; K295-L300 HydrophobicContact CB-CD2 3.74Å; K295-L300 HydrophobicContact CB-CG 4.17Å; K295-L300 HydrophobicContact CD-CD2 4.4Å; P296-L300 PolarHBondContact O-N 3.05Å; L300-I302 VanDerWaalsContact C-N 3.35Å; L300-P304 WeakPolarHBondContact O-CA 3.18Å; L300-P304 VanDerWaalsContact O-CB 3.31Å; L300-P304 WeakPolarHBondContact O-CB 3.41Å; L300-A307 HydrophobicContact CD2-CB 3.34Å
301	L	73	Confident	81.6	Confident	27 Å²	27	60 Å²	60	14%	0.141	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.6	-179.2	-55.7	-177.1	0	0	0	112.9	Y210 Y219 F235 I244 E299	Y210-L301 HydrophobicContact CD1-CD1 3.75Å; Y210-L301 HydrophobicContact CD2-CD1 3.44Å; Y210-L301 VanDerWaalsContact CD2-CD1 3.44Å; Y210-L301 HydrophobicContact CD2-CG 4.24Å; Y210-L301 HydrophobicContact CE1-CD1 4.11Å; Y210-L301 HydrophobicContact CE2-CD1 3.84Å; Y210-L301 HydrophobicContact CG-CD1 3.39Å; Y219-L301 HydrophobicContact CD1-CD2 3.86Å; Y219-L301 HydrophobicContact CD2-CD1 3.8Å; Y219-L301 HydrophobicContact CD2-CD2 3.94Å; Y219-L301 HydrophobicContact CE1-CD2 4.04Å; Y219-L301 HydrophobicContact CE2-CD1 3.44Å; Y219-L301 VanDerWaalsContact CE2-CD1 3.44Å; Y219-L301 HydrophobicContact CE2-CD2 4.13Å; Y219-L301 HydrophobicContact CE2-CG 4.47Å; Y219-L301 HydrophobicContact CG-CD1 4.48Å; Y219-L301 HydrophobicContact CG-CD2 3.79Å; F235-L301 HydrophobicContact CB-CD2 4.47Å; I244-L301 HydrophobicContact CD1-CB 4.04Å; I244-L301 HydrophobicContact CD1-CD2 3.65Å; I244-L301 HydrophobicContact CD1-CG 4.34Å; E299-L301 PolarHBondContact O-N 3.24Å
302	I	77.6	Confident	81.5	Confident	130 Å²	130	60.3 Å²	60.3	67%	0.667	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-45.2	-179.7	-56.5	171	0	0	0	110.2	E299 L300	E299-I302 PolarHBondContact O-N 3.45Å; E299-I302 VanDerWaalsContact O-N 3.08Å; L300-I302 VanDerWaalsContact C-N 3.35Å
303	K	80.1	Confident	81.5	Confident	143 Å²	143	60.1 Å²	60.1	62%	0.622	30%	0.3	S	S	*	.			trans	-128.2	78.9	178	-71.1	-175.8	-178.3	176.3	0	109.2	K295 E299 D305	K295-K303 PolarHBondContact NZ-O 3.06Å; E299-K303 PolarHBondContact O-N 3.33Å; K303-D305 PolarHBondContact O-N 2.79Å
304	P	77.9	Confident	81.5	Confident	18 Å²	18	57.6 Å²	57.6	12%	0.117	29%	0.288	C	S	.	.			trans	-69.7	-12.4	-177	31.5	-38.4	0	0	0	112.7	F235 I244 R245 S246 L300 A307	F235-P304 HydrophobicContact CD2-CB 4.26Å; F235-P304 HydrophobicContact CE2-CB 4.17Å; I244-P304 HydrophobicContact CG2-CB 3.83Å; I244-P304 HydrophobicContact CG2-CG 3.73Å; R245-P304 WeakPolarHBondContact O-CG 3.28Å; S246-P304 WeakPolarHBondContact CB-O 3.43Å; S246-P304 PolarHBondContact OG-O 3.27Å; L300-P304 WeakPolarHBondContact O-CA 3.18Å; L300-P304 VanDerWaalsContact O-CB 3.31Å; L300-P304 WeakPolarHBondContact O-CB 3.41Å; P304-A307 WeakPolarHBondContact O-CB 3.43Å; P304-A307 PolarHBondContact O-N 2.92Å
305	D	77.9	Confident	81.8	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	137.1	173.2	-64.5	-29.7	0	0	0	110.9	G247 K295 K303 A307	G247-D305 PolarHBondContact N-OD1 3.18Å; K295-D305 PolarHBondContact NZ-O 3.42Å; K303-D305 PolarHBondContact O-N 2.79Å; D305-A307 PolarHBondContact O-N 3.41Å
306	D	77	Confident	82.2	Confident	62 Å²	62	53.4 Å²	53.4	33%	0.332	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	32.1	-175.9	-63.9	-42.4	0	0	0	113.7	K250 F308	K250-D306 WeakPolarHBondContact CE-OD1 3.14Å; K250-D306 VanDerWaalsContact NZ-CG 3.26Å; K250-D306 IonicContact NZ-OD1 2.75Å; K250-D306 PolarHBondContact NZ-OD1 2.76Å; K250-D306 IonicContact NZ-OD2 2.8Å; K250-D306 PolarHBondContact NZ-OD2 3.08Å; D306-F308 PolarHBondContact O-N 3.07Å
307	A	81.5	Confident	82.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.			trans	-59.3	-45.5	179.9	0	0	0	0	0	113.9	F235 H294 L300 P304 D305	F235-A307 HydrophobicContact CE2-CB 3.74Å; F235-A307 HydrophobicContact CZ-CB 3.59Å; H294-A307 PolarHBondContact N-O 3.21Å; L300-A307 HydrophobicContact CD2-CB 3.34Å; P304-A307 WeakPolarHBondContact O-CB 3.43Å; P304-A307 PolarHBondContact O-N 2.92Å; D305-A307 PolarHBondContact O-N 3.41Å
308	F	88.6	Confident	82.5	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.2	177.2	-69.4	-81.7	0	0	0	109.6	L208 P221 F223 C233 F235 L249 A291 L292 Q293 D306	L208-F308 HydrophobicContact CD1-CZ 4.48Å; P221-F308 HydrophobicContact CB-CE2 3.92Å; P221-F308 HydrophobicContact CB-CZ 4.17Å; P221-F308 HydrophobicContact CG-CZ 4.27Å; F223-F308 AromaticContact CE1-CD2 3.75Å; F223-F308 HydrophobicContact CE1-CD2 3.75Å; F223-F308 HydrophobicContact CE1-CE2 4.05Å; F223-F308 HydrophobicContact CE1-CG 4.05Å; F223-F308 HydrophobicContact CZ-CD1 4.32Å; F223-F308 AromaticContact CZ-CD2 3.99Å; F223-F308 HydrophobicContact CZ-CD2 3.99Å; F223-F308 HydrophobicContact CZ-CE1 4.26Å; F223-F308 AromaticContact CZ-CE2 3.88Å; F223-F308 HydrophobicContact CZ-CE2 3.88Å; F223-F308 HydrophobicContact CZ-CG 4.2Å; F223-F308 HydrophobicContact CZ-CZ 4.04Å; C233-F308 HydrophobicContact CB-CD2 4.46Å; F235-F308 AromaticContact CE1-CE2 3.65Å; F235-F308 HydrophobicContact CE1-CE2 3.65Å; F235-F308 HydrophobicContact CE1-CZ 4.31Å; F235-F308 HydrophobicContact CZ-CD2 4.19Å; F235-F308 AromaticContact CZ-CE2 3.65Å; F235-F308 HydrophobicContact CZ-CE2 3.65Å; L249-F308 HydrophobicContact CD1-CB 4.4Å; L249-F308 HydrophobicContact CD2-CB 4.11Å; A291-F308 HydrophobicContact CB-CD1 4.33Å; L292-F308 CarbonylContact O-C 3.51Å; L292-F308 WeakPolarHBondContact O-CA 3.24Å; Q293-F308 HydrophobicContact CB-CD1 4.31Å; Q293-F308 HydrophobicContact CB-CE1 4.02Å; D306-F308 PolarHBondContact O-N 3.07Å
309	H	87.9	Confident	82.5	Confident	71 Å²	71	50.8 Å²	50.8	33%	0.329	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.2	162.7	-168.6	-130.8	0	0	0	108	S252 L292	S252-H309 PolarHBondContact OG-CE1 2.84Å; S252-H309 PolarHBondContact OG-NE2 3.48Å; L292-H309 PolarHBondContact N-O 3.05Å; L292-H309 PolarHBondContact O-N 2.87Å
310	V	91.3	Very high	82.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.1	-177.5	-173.1	0	0	0	0	108.6	L231 L249 K250 L251 S252 L277 C289 L290 A291	L231-V310 HydrophobicContact CD1-CB 4.31Å; L231-V310 HydrophobicContact CD1-CG1 3.9Å; L231-V310 HydrophobicContact CD1-CG2 4.2Å; L249-V310 HydrophobicContact CB-CG2 3.95Å; L249-V310 HydrophobicContact CD1-CG2 3.84Å; K250-V310 PolarHBondContact O-N 2.88Å; K250-V310 VanDerWaalsContact O-N 3.12Å; L251-V310 CarbonylContact C-O 3.4Å; L251-V310 WeakPolarHBondContact CA-O 3.38Å; L251-V310 HydrophobicContact CD1-CB 3.97Å; L251-V310 HydrophobicContact CD1-CG1 3.46Å; L251-V310 VanDerWaalsContact CD1-CG1 3.46Å; S252-V310 PolarHBondContact N-O 3.31Å; L277-V310 HydrophobicContact CD1-CG1 4.1Å; L277-V310 HydrophobicContact CD1-CG2 4.31Å; C289-V310 HydrophobicContact CB-CG1 3.69Å; L290-V310 CarbonylContact O-C 3.56Å; L290-V310 WeakPolarHBondContact O-CA 3.37Å; A291-V310 HydrophobicContact CB-CG2 4.38Å
311	Y	90.5	Very high	81.7	Confident	101 Å²	101	56.4 Å²	56.4	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.4	179.6	-170.6	-93	0	0	0	110.5	S252 C289 L290 Y313	S252-Y311 CarbonylContact O-C 3.58Å; S252-Y311 VanDerWaalsContact O-CA 3.3Å; S252-Y311 WeakPolarHBondContact O-CA 2.91Å; C289-Y311 CarbonylContact C-O 3.6Å; C289-Y311 VanDerWaalsContact CA-O 3.23Å; C289-Y311 WeakPolarHBondContact CA-O 3.5Å; L290-Y311 PolarHBondContact N-O 2.69Å; L290-Y311 PolarHBondContact O-N 2.79Å; Y311-Y313 HydrophobicContact CE1-CD2 4.36Å; Y311-Y313 PolarHBondContact O-N 3.47Å
312	A	89.6	Confident	81.2	Confident	12 Å²	12	55.2 Å²	55.2	10%	0.099	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	98.8	170.1	0	0	0	0	0	108.8	L251 S252 Y259	L251-A312 HydrophobicContact CD1-CB 4.28Å; S252-A312 PolarHBondContact O-N 3.38Å; Y259-A312 HydrophobicContact CE1-CB 4.15Å
313	Y	88	Confident	80	Confident	67 Å²	67	49.8 Å²	49.8	26%	0.263	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-46.5	-174.6	179.1	-97.9	0	0	0	111.4	H288 L290 Y311 W362 F381	H288-Y313 PolarHBondContact O-N 3.01Å; L290-Y313 HydrophobicContact CD1-CD2 4.36Å; Y311-Y313 HydrophobicContact CE1-CD2 4.36Å; Y311-Y313 PolarHBondContact O-N 3.47Å; Y313-W362 AromaticContact CD1-CD2 3.59Å; Y313-W362 HydrophobicContact CD1-CD2 3.59Å; Y313-W362 AromaticContact CD1-CE2 3.58Å; Y313-W362 AromaticContact CD1-CE3 3.69Å; Y313-W362 HydrophobicContact CD1-CE3 3.69Å; Y313-W362 HydrophobicContact CD1-CG 4.22Å; Y313-W362 AromaticContact CD1-CH2 3.83Å; Y313-W362 HydrophobicContact CD1-CH2 3.83Å; Y313-W362 AromaticContact CD1-CZ2 3.72Å; Y313-W362 HydrophobicContact CD1-CZ2 3.72Å; Y313-W362 AromaticContact CD1-CZ3 3.82Å; Y313-W362 HydrophobicContact CD1-CZ3 3.82Å; Y313-W362 HydrophobicContact CD2-CZ3 4.41Å; Y313-W362 HydrophobicContact CE1-CB 4.03Å; Y313-W362 AromaticContact CE1-CD2 3.34Å; Y313-W362 HydrophobicContact CE1-CD2 3.34Å; Y313-W362 AromaticContact CE1-CE2 3.8Å; Y313-W362 AromaticContact CE1-CE3 3.5Å; Y313-W362 HydrophobicContact CE1-CE3 3.5Å; Y313-W362 AromaticContact CE1-CG 3.59Å; Y313-W362 HydrophobicContact CE1-CG 3.59Å; Y313-W362 HydrophobicContact CE1-CH2 4.49Å; Y313-W362 HydrophobicContact CE1-CZ2 4.36Å; Y313-W362 HydrophobicContact CE1-CZ3 4.1Å; Y313-W362 HydrophobicContact CE2-CE3 4.43Å; Y313-W362 HydrophobicContact CG-CE3 4.24Å; Y313-W362 HydrophobicContact CG-CH2 4.03Å; Y313-W362 HydrophobicContact CG-CZ2 4.32Å; Y313-W362 AromaticContact CG-CZ3 3.99Å; Y313-W362 HydrophobicContact CG-CZ3 3.99Å; Y313-W362 AromaticContact CZ-CE3 3.9Å; Y313-F381 WeakPolarHBondContact OH-CB 3.36Å; Y313-F381 VanDerWaalsContact OH-CD2 3.26Å; Y313-F381 WeakPolarHBondContact OH-CD2 3.26Å; Y313-F381 WeakPolarHBondContact OH-CG 3.38Å
314	E	87.9	Confident	78.4	Confident	32 Å²	32	55.2 Å²	55.2	15%	0.15	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.8	176.1	64.2	174.1	174.5	0	0	111.1	H288 W362 S384	H288-E314 HydrophobicContact CB-CG 3.65Å; H288-E314 IonicContact CE1-OE1 3.66Å; H288-E314 IonicContact CG-OE1 2.83Å; H288-E314 PolarHBondContact N-O 3.09Å; H288-E314 WeakPolarHBondContact ND1-CG 3.43Å; H288-E314 IonicContact ND1-OE1 3.36Å; H288-E314 PolarHBondContact ND1-OE1 3.33Å; H288-E314 VanDerWaalsContact ND1-OE1 3.07Å; E314-W362 VanDerWaalsContact CD-NE1 3.34Å; E314-W362 PolarHBondContact OE1-NE1 2.79Å; E314-S384 VanDerWaalsContact CD-OG 3.23Å; E314-S384 WeakPolarHBondContact OE1-CB 3.38Å; E314-S384 PolarHBondContact OE1-OG 3.35Å; E314-S384 WeakPolarHBondContact OE2-CB 3.5Å; E314-S384 PolarHBondContact OE2-N 2.95Å; E314-S384 PolarHBondContact OE2-OG 2.72Å
315	V	87.9	Confident	77.1	Confident	66 Å²	66	62.5 Å²	62.5	40%	0.4	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.7	171.5	-174.7	0	0	0	0	108.3	Q285 I286 Y287	Q285-V315 HydrophobicContact CB-CG1 3.87Å; Q285-V315 HydrophobicContact CG-CG1 4.05Å; I286-V315 CarbonylContact O-C 3.56Å; I286-V315 WeakPolarHBondContact O-CA 3.46Å; Y287-V315 HydrophobicContact CD1-CG1 4.3Å; Y287-V315 HydrophobicContact CD1-CG2 3.55Å; Y287-V315 HydrophobicContact CE1-CG1 4.09Å; Y287-V315 HydrophobicContact CE1-CG2 3.66Å; Y287-V315 HydrophobicContact CG-CG2 4.44Å
316	L	86.2	Confident	75.7	Confident	28 Å²	28	62.8 Å²	62.8	15%	0.147	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.9	175.3	-177.9	68.2	0	0	0	109.7	I286 V318 I358 A386	I286-L316 HydrophobicContact CB-CB 4.38Å; I286-L316 HydrophobicContact CD1-CD2 4.39Å; I286-L316 PolarHBondContact N-O 2.66Å; I286-L316 PolarHBondContact O-N 2.93Å; L316-V318 HydrophobicContact CD2-CG1 4.03Å; L316-V318 HydrophobicContact CG-CG1 4Å; L316-V318 PolarHBondContact O-N 3.35Å; L316-I358 HydrophobicContact CD2-CD1 3.81Å; L316-I358 HydrophobicContact CD2-CG1 4.26Å; L316-I358 HydrophobicContact CD2-CG2 3.78Å; L316-A386 HydrophobicContact CD2-CB 4.46Å
317	D	84.2	Confident	74.5	Confident	66 Å²	66	60.5 Å²	60.5	35%	0.353	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	102.4	174.5	179.2	16.1	0	0	0	111.1	S319	D317-S319 VanDerWaalsContact CG-OG 3.26Å; D317-S319 WeakPolarHBondContact OD1-CB 3.35Å; D317-S319 PolarHBondContact OD1-N 2.51Å; D317-S319 PolarHBondContact OD1-OG 2.81Å; D317-S319 PolarHBondContact OD2-OG 3.49Å
318	V	78.9	Confident	72.7	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.036	31%	0.311	C	S	.	.			trans	-94.1	3.9	174.1	-61.2	0	0	0	0	112.7	G284 I286 L316 K320 I321 L322	G284-V318 WeakPolarHBondContact O-CG2 3.47Å; G284-V318 PolarHBondContact O-N 2.83Å; I286-V318 HydrophobicContact CD1-CB 4.47Å; I286-V318 HydrophobicContact CD1-CG1 3.74Å; I286-V318 HydrophobicContact CD1-CG2 3.82Å; I286-V318 HydrophobicContact CG1-CG2 4.21Å; L316-V318 HydrophobicContact CD2-CG1 4.03Å; L316-V318 HydrophobicContact CG-CG1 4Å; L316-V318 PolarHBondContact O-N 3.35Å; V318-K320 PolarHBondContact O-N 3.26Å; V318-I321 HydrophobicContact CB-CD1 4.22Å; V318-I321 HydrophobicContact CG1-CD1 4.09Å; V318-I321 WeakPolarHBondContact O-CA 3.24Å; V318-I321 VanDerWaalsContact O-CB 3.32Å; V318-I321 WeakPolarHBondContact O-CB 3.16Å; V318-I321 PolarHBondContact O-N 3.29Å; V318-L322 HydrophobicContact CG2-CD1 3.91Å; V318-L322 HydrophobicContact CG2-CG 4.31Å; V318-L322 WeakPolarHBondContact O-CG 3.48Å; V318-L322 PolarHBondContact O-N 3.38Å
319	S	74.5	Confident	70.5	Confident	35 Å²	35	66.6 Å²	66.6	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-56.7	-36.9	178.8	72.1	0	0	0	0	112.3	S283 G284 D317 I321 L322 G323	S283-S319 WeakPolarHBondContact O-CB 3.43Å; G284-S319 PolarHBondContact O-N 3.4Å; D317-S319 VanDerWaalsContact CG-OG 3.26Å; D317-S319 WeakPolarHBondContact OD1-CB 3.35Å; D317-S319 PolarHBondContact OD1-N 2.51Å; D317-S319 PolarHBondContact OD1-OG 2.81Å; D317-S319 PolarHBondContact OD2-OG 3.49Å; S319-I321 VanDerWaalsContact C-N 3.28Å; S319-I321 PolarHBondContact O-N 3.02Å; S319-L322 PolarHBondContact O-N 2.93Å; S319-G323 CarbonylContact O-C 3.55Å; S319-G323 PolarHBondContact O-N 2.79Å
320	K	67.9	Low	68.2	Low	177 Å²	177	73.9 Å²	73.9	77%	0.77	36%	0.363	S	S	*	.	H	α-helix	trans	-60.5	-39.1	175.2	-64.7	-177.7	-175.3	173.9	0	111.8	V318	V318-K320 PolarHBondContact O-N 3.26Å
321	I	66.8	Low	65.6	Low	44 Å²	44	76.8 Å²	76.8	23%	0.226	39%	0.388	C	S	.	.	H	α-helix	trans	-71.6	-44.8	177.1	-54.3	176.9	0	0	0	109.8	V318 S319 G323 K353 H356 A386	V318-I321 HydrophobicContact CB-CD1 4.22Å; V318-I321 HydrophobicContact CG1-CD1 4.09Å; V318-I321 WeakPolarHBondContact O-CA 3.24Å; V318-I321 VanDerWaalsContact O-CB 3.32Å; V318-I321 WeakPolarHBondContact O-CB 3.16Å; V318-I321 PolarHBondContact O-N 3.29Å; S319-I321 VanDerWaalsContact C-N 3.28Å; S319-I321 PolarHBondContact O-N 3.02Å; I321-G323 PolarHBondContact O-N 3.22Å; I321-K353 WeakPolarHBondContact O-CD 3.47Å; I321-K353 WeakPolarHBondContact O-CE 3.49Å; I321-K353 PolarHBondContact O-NZ 3.41Å; I321-H356 WeakPolarHBondContact CG2-CE1 3.49Å; I321-H356 WeakPolarHBondContact CG2-NE2 3.24Å; I321-A386 HydrophobicContact CD1-CB 3.5Å; I321-A386 VanDerWaalsContact CD1-CB 3.5Å
322	L	62.4	Low	63.4	Low	2 Å²	2	72.6 Å²	72.6	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-66.6	-21.4	179.9	-63.7	173.9	0	0	0	113.3	V318 S319 V327 I333 H351 R352	V318-L322 HydrophobicContact CG2-CD1 3.91Å; V318-L322 HydrophobicContact CG2-CG 4.31Å; V318-L322 WeakPolarHBondContact O-CG 3.48Å; V318-L322 PolarHBondContact O-N 3.38Å; S319-L322 PolarHBondContact O-N 2.93Å; L322-V327 HydrophobicContact CD1-CG2 3.99Å; L322-I333 HydrophobicContact CD1-CD1 4.35Å; L322-I333 HydrophobicContact CD2-CD1 3.92Å; L322-I333 HydrophobicContact CG-CD1 4.5Å; L322-H351 HydrophobicContact CD2-CB 3.49Å; L322-H351 VanDerWaalsContact CD2-CB 3.49Å; L322-H351 VanDerWaalsContact CD2-CG 3.49Å; L322-R352 PolarHBondContact O-NE 3.35Å; L322-R352 PolarHBondContact O-NH2 3.27Å
323	G	52.8	Low	61.3	Low	17 Å²	17	73.5 Å²	73.5	18%	0.175	38%	0.377	C	S	.	.			trans	79.8	145.9	-171	0	0	0	0	0	111.3	S319 I321 Y325 R352	S319-G323 CarbonylContact O-C 3.55Å; S319-G323 PolarHBondContact O-N 2.79Å; I321-G323 PolarHBondContact O-N 3.22Å; G323-Y325 PolarHBondContact O-N 2.92Å; G323-R352 PolarHBondContact O-NH2 2.88Å
324	R	47.2	Very low	59.5	Low	257 Å²	257	73.6 Å²	73.6	97%	0.97	39%	0.385	S	S	*	.	S	Bend	trans	-57.5	17.6	-170.7	-71.7	-173.4	176.1	174.2	-0.9	117.8
325	Y	50.5	Low	58.1	Low	171 Å²	171	72.7 Å²	72.7	67%	0.671	38%	0.381	S	S	*	.	S	Bend	trans	-89.3	134.2	173	-62.2	-85.7	0	0	0	110.1	G323 V327	G323-Y325 PolarHBondContact O-N 2.92Å; Y325-V327 PolarHBondContact O-N 2.74Å
326	P	48.2	Very low	56.9	Low	100 Å²	100	73.4 Å²	73.4	65%	0.649	38%	0.377	S	S	*	.			trans	-54.1	126.6	174.5	21.5	-30.5	0	0	0	109.2	A328	P326-A328 HydrophobicContact CB-CB 4.49Å; P326-A328 PolarHBondContact O-N 3.47Å
327	V	51.3	Low	55.8	Low	13 Å²	13	73.5 Å²	73.5	8%	0.079	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.5	-179.3	-172.9	0	0	0	0	111.1	L264 S282 L322 Y325 S329 I333	L264-V327 HydrophobicContact CD1-CB 4.14Å; L264-V327 HydrophobicContact CD1-CG1 3.37Å; S282-V327 WeakPolarHBondContact O-CB 3.39Å; S282-V327 WeakPolarHBondContact O-CG2 3.34Å; L322-V327 HydrophobicContact CD1-CG2 3.99Å; Y325-V327 PolarHBondContact O-N 2.74Å; V327-S329 PolarHBondContact O-N 3.24Å; V327-S329 VanDerWaalsContact O-N 3.08Å; V327-I333 HydrophobicContact CB-CD1 4.19Å; V327-I333 HydrophobicContact CG1-CB 3.75Å; V327-I333 HydrophobicContact CG1-CD1 3.5Å; V327-I333 HydrophobicContact CG1-CG1 4.12Å; V327-I333 HydrophobicContact CG1-CG2 3.93Å; V327-I333 HydrophobicContact CG2-CD1 3.98Å
328	A	43.6	Very low	55.3	Low	66 Å²	66	72.3 Å²	72.3	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.3	179.6	0	0	0	0	0	115.9	P326 K330	P326-A328 HydrophobicContact CB-CB 4.49Å; P326-A328 PolarHBondContact O-N 3.47Å; A328-K330 PolarHBondContact O-N 2.79Å
329	S	42.6	Very low	55	Low	67 Å²	67	74.7 Å²	74.7	47%	0.469	38%	0.382	S	S	.	.	S	Bend	trans	-65.9	112.2	167	70.2	0	0	0	0	108	V327 A331	V327-S329 PolarHBondContact O-N 3.24Å; V327-S329 VanDerWaalsContact O-N 3.08Å; S329-A331 CarbonylContact O-C 3.6Å; S329-A331 PolarHBondContact O-N 3.45Å
330	K	39.9	Very low	55.1	Low	224 Å²	224	73 Å²	73	97%	0.974	37%	0.37	S	S	*	.	S	Bend	trans	-44.4	-7.2	178.4	-73.2	178	174.5	177.3	0	116	A328	A328-K330 PolarHBondContact O-N 2.79Å
331	A	36.6	Very low	55.2	Low	62 Å²	62	68.4 Å²	68.4	51%	0.512	36%	0.358	S	S	.	.	S	Bend	trans	-106.7	100.7	175.4	0	0	0	0	0	111.4	S329	S329-A331 CarbonylContact O-C 3.6Å; S329-A331 PolarHBondContact O-N 3.45Å
332	G	43.7	Very low	55.5	Low	12 Å²	12	70.6 Å²	70.6	12%	0.124	37%	0.367	C	S	.	.	S	Bend	trans	120.8	14.9	133.6	0	0	0	0	0	119.5
333	I	47.3	Very low	56.2	Low	31 Å²	31	71 Å²	71	16%	0.159	37%	0.369	C	S	.	.			trans	-116.4	96.7	166.9	-68.8	174.1	0	0	0	107.6	L322 V327 L335 H351 R352	L322-I333 HydrophobicContact CD1-CD1 4.35Å; L322-I333 HydrophobicContact CD2-CD1 3.92Å; L322-I333 HydrophobicContact CG-CD1 4.5Å; V327-I333 HydrophobicContact CB-CD1 4.19Å; V327-I333 HydrophobicContact CG1-CB 3.75Å; V327-I333 HydrophobicContact CG1-CD1 3.5Å; V327-I333 HydrophobicContact CG1-CG1 4.12Å; V327-I333 HydrophobicContact CG1-CG2 3.93Å; V327-I333 HydrophobicContact CG2-CD1 3.98Å; I333-L335 HydrophobicContact CG2-CD1 3.19Å; I333-L335 HydrophobicContact CG2-CD2 3.84Å; I333-L335 HydrophobicContact CG2-CG 3.37Å; I333-H351 HydrophobicContact CG1-CB 4.28Å; I333-H351 HydrophobicContact CG2-CB 4.32Å; I333-R352 HydrophobicContact CG1-CG 4.37Å
334	V	49.9	Very low	57.4	Low	69 Å²	69	71.2 Å²	71.2	42%	0.418	37%	0.368	S	S	.	.			trans	-105.1	94.9	172.7	-173.2	0	0	0	0	106.7	Y336 S350	V334-Y336 HydrophobicContact CB-CD2 4.48Å; V334-Y336 HydrophobicContact CB-CE2 4Å; V334-Y336 HydrophobicContact CG1-CD2 3.87Å; V334-Y336 HydrophobicContact CG1-CE1 4.02Å; V334-Y336 HydrophobicContact CG1-CE2 3.31Å; V334-Y336 HydrophobicContact CG1-CG 4.44Å; V334-Y336 PolarHBondContact O-N 2.82Å; V334-S350 CarbonylContact C-O 3.54Å; V334-S350 CarbonylContact O-C 3.4Å; V334-S350 WeakPolarHBondContact O-CB 3.34Å
335	L	57	Low	59	Low	13 Å²	13	59.8 Å²	59.8	7%	0.068	33%	0.326	C	S	.	.			trans	-85.7	97.4	-175.6	-67.3	164.5	0	0	0	106.3	L280 I333 L337 I349 S350 H351	L280-L335 HydrophobicContact CD1-CD1 3.5Å; L280-L335 VanDerWaalsContact CD1-CD1 3.5Å; L280-L335 HydrophobicContact CD2-CB 3.39Å; L280-L335 HydrophobicContact CD2-CD1 3.04Å; L280-L335 HydrophobicContact CD2-CG 3.68Å; L280-L335 HydrophobicContact CG-CD1 3.75Å; I333-L335 HydrophobicContact CG2-CD1 3.19Å; I333-L335 HydrophobicContact CG2-CD2 3.84Å; I333-L335 HydrophobicContact CG2-CG 3.37Å; L335-L337 PolarHBondContact O-N 2.8Å; L335-I349 HydrophobicContact CD2-CB 4.28Å; L335-I349 HydrophobicContact CD2-CG2 3.04Å; L335-I349 HydrophobicContact CG-CG2 4.36Å; L335-S350 WeakPolarHBondContact CD2-O 3.46Å; L335-H351 HydrophobicContact CD2-CB 4.19Å
336	Y	63.1	Low	60.7	Low	82 Å²	82	52 Å²	52	32%	0.322	30%	0.295	S	S	.	.			trans	-83.2	105.5	173	-69.6	-76.8	0	0	0	108.8	V334 L338 F348	V334-Y336 HydrophobicContact CB-CD2 4.48Å; V334-Y336 HydrophobicContact CB-CE2 4Å; V334-Y336 HydrophobicContact CG1-CD2 3.87Å; V334-Y336 HydrophobicContact CG1-CE1 4.02Å; V334-Y336 HydrophobicContact CG1-CE2 3.31Å; V334-Y336 HydrophobicContact CG1-CG 4.44Å; V334-Y336 PolarHBondContact O-N 2.82Å; Y336-L338 VanDerWaalsContact C-N 3.34Å; Y336-L338 PolarHBondContact O-N 3.06Å; Y336-F348 CarbonylContact O-C 3.47Å
337	L	64.3	Low	62.6	Low	29 Å²	29	47.2 Å²	47.2	15%	0.152	26%	0.264	C	S	.	.			trans	-69.8	96.9	164.8	-69.6	167.9	0	0	0	108.2	A267 L278 L335 Y347	A267-L337 HydrophobicContact CB-CB 3.68Å; A267-L337 HydrophobicContact CB-CD1 3.4Å; A267-L337 VanDerWaalsContact CB-CD1 3.4Å; A267-L337 HydrophobicContact CB-CG 4.14Å; L278-L337 HydrophobicContact CB-CD1 3.8Å; L278-L337 HydrophobicContact CB-CD2 4.45Å; L278-L337 HydrophobicContact CD1-CD1 4.16Å; L278-L337 HydrophobicContact CD1-CD2 3.65Å; L278-L337 HydrophobicContact CD1-CG 4.4Å; L335-L337 PolarHBondContact O-N 2.8Å; L337-Y347 HydrophobicContact CD2-CD2 3.17Å; L337-Y347 HydrophobicContact CD2-CE2 3.23Å; L337-Y347 HydrophobicContact CD2-CG 4.11Å
338	L	73.1	Confident	64.3	Low	42 Å²	42	46.6 Å²	46.6	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.1	175.4	179.9	70.4	0	0	0	108.2	Y336 Y347 F348 L406 C408 L418	Y336-L338 VanDerWaalsContact C-N 3.34Å; Y336-L338 PolarHBondContact O-N 3.06Å; L338-Y347 VanDerWaalsContact O-CA 3.28Å; L338-Y347 WeakPolarHBondContact O-CA 3.41Å; L338-F348 HydrophobicContact CB-CB 4.44Å; L338-F348 HydrophobicContact CB-CD2 4.12Å; L338-F348 HydrophobicContact CD2-CD2 4.09Å; L338-F348 HydrophobicContact CG-CD2 4.23Å; L338-F348 VanDerWaalsContact O-CD2 3.26Å; L338-F348 WeakPolarHBondContact O-CD2 3.4Å; L338-F348 PolarHBondContact O-N 3.07Å; L338-F348 VanDerWaalsContact O-N 3.1Å; L338-L406 HydrophobicContact CB-CD2 4.41Å; L338-L406 HydrophobicContact CD2-CB 4.23Å; L338-L406 HydrophobicContact CD2-CD2 3.78Å; L338-L406 HydrophobicContact CD2-CG 4.32Å; L338-C408 HydrophobicContact CD1-CB 4.42Å; L338-C408 HydrophobicContact CD2-CB 3.64Å; L338-C408 HydrophobicContact CG-CB 4.03Å; L338-L418 HydrophobicContact CD2-CD1 3.96Å
339	E	71.6	Confident	66.2	Low	56 Å²	56	43.8 Å²	43.8	26%	0.262	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	144	172.1	-65.5	-177.4	-161.8	0	0	110.1	M269 N271	M269-E339 WeakPolarHBondContact CA-OE1 3.42Å; M269-E339 HydrophobicContact CG-CG 4.26Å; N271-E339 PolarHBondContact ND2-OE2 2.86Å
340	D	77.1	Confident	68	Low	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.9	165.9	178	31.3	0	0	0	110.5	H342 D343 R346 F348 C408 S416	D340-H342 PolarHBondContact O-N 2.98Å; D340-H342 PolarHBondContact OD1-N 2.95Å; D340-D343 CarbonylContact O-C 3.57Å; D340-D343 PolarHBondContact O-N 2.87Å; D340-D343 VanDerWaalsContact OD2-CB 3.32Å; D340-D343 WeakPolarHBondContact OD2-CB 3.3Å; D340-D343 PolarHBondContact OD2-N 2.82Å; D340-R346 HydrophobicContact CB-CG 3.67Å; D340-R346 VanDerWaalsContact CB-NE 3.32Å; D340-R346 VanDerWaalsContact CG-NE 3.35Å; D340-R346 IonicContact OD2-CZ 3.89Å; D340-R346 IonicContact OD2-NE 3.03Å; D340-R346 PolarHBondContact OD2-NE 3.13Å; D340-R346 IonicContact OD2-NH2 3.96Å; D340-R346 PolarHBondContact OD2-NH2 3.02Å; D340-F348 HydrophobicContact CB-CE2 4.25Å; D340-C408 PolarHBondContact OD1-SG 2.96Å; D340-S416 VanDerWaalsContact OD1-CB 3.27Å; D340-S416 WeakPolarHBondContact OD1-CB 3.3Å; D340-S416 PolarHBondContact OD1-OG 2.82Å; D340-S416 PolarHBondContact OD2-OG 2.85Å
341	P	69.6	Low	69.7	Low	79 Å²	79	30.1 Å²	30.1	51%	0.513	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.3	179	-21	32	0	0	0	114.8	P410	P341-P410 HydrophobicContact CB-CB 4.2Å; P341-P410 HydrophobicContact CB-CG 4.12Å; P341-P410 HydrophobicContact CG-CB 4.41Å; P341-P410 HydrophobicContact CG-CG 4.01Å
342	H	73.5	Confident	71.4	Confident	91 Å²	91	29 Å²	29	42%	0.421	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-20.1	179.8	-76.3	14.7	0	0	0	114.7	D340 P410 H411 S416	D340-H342 PolarHBondContact O-N 2.98Å; D340-H342 PolarHBondContact OD1-N 2.95Å; H342-P410 WeakPolarHBondContact CE1-CB 3.41Å; H342-P410 VanDerWaalsContact ND1-CB 3.31Å; H342-P410 WeakPolarHBondContact ND1-CB 3.38Å; H342-H411 PolarHBondContact CD2-O 3.09Å; H342-H411 PolarHBondContact NE2-O 2.94Å; H342-H411 VanDerWaalsContact NE2-O 3.12Å; H342-S416 WeakPolarHBondContact CB-OG 3.48Å
343	D	78	Confident	72.7	Confident	10 Å²	10	32.5 Å²	32.5	5%	0.053	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	87	174.7	-177.5	2.3	0	0	0	107.5	D340 L345 R346 R359 Q437	D340-D343 CarbonylContact O-C 3.57Å; D340-D343 PolarHBondContact O-N 2.87Å; D340-D343 VanDerWaalsContact OD2-CB 3.32Å; D340-D343 WeakPolarHBondContact OD2-CB 3.3Å; D340-D343 PolarHBondContact OD2-N 2.82Å; D343-L345 PolarHBondContact O-N 2.86Å; D343-L345 PolarHBondContact OD1-N 2.87Å; D343-R346 HydrophobicContact CB-CG 3.83Å; D343-R346 WeakPolarHBondContact O-CG 3.39Å; D343-R346 PolarHBondContact O-N 2.72Å; D343-R346 VanDerWaalsContact O-N 3.1Å; D343-R346 WeakPolarHBondContact OD2-CD 3.26Å; D343-R346 IonicContact OD2-CZ 3.83Å; D343-R346 IonicContact OD2-NE 3.96Å; D343-R346 IonicContact OD2-NH1 3.11Å; D343-R359 IonicContact OD2-CZ 3.86Å; D343-R359 IonicContact OD2-NE 3.92Å; D343-R359 IonicContact OD2-NH2 3.23Å; D343-R359 PolarHBondContact OD2-NH2 2.87Å; D343-Q437 PolarHBondContact OD1-NE2 3.02Å
344	P	76.8	Confident	74.1	Confident	22 Å²	22	31 Å²	31	14%	0.143	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-8.1	-175.5	24.2	-36	0	0	0	114.3	M269 N271 F272 R346	M269-P344 WeakPolarHBondContact CE-O 3.07Å; N271-P344 HydrophobicContact CB-CB 3.3Å; N271-P344 HydrophobicContact CB-CG 4.44Å; F272-P344 HydrophobicContact CD2-CB 3.88Å; F272-P344 HydrophobicContact CD2-CG 4.31Å; F272-P344 HydrophobicContact CE1-CG 4.12Å; F272-P344 HydrophobicContact CE2-CB 3.39Å; F272-P344 HydrophobicContact CE2-CG 3.51Å; F272-P344 WeakPolarHBondContact CE2-O 3.36Å; F272-P344 HydrophobicContact CZ-CB 3.85Å; F272-P344 HydrophobicContact CZ-CG 3.38Å; P344-R346 VanDerWaalsContact C-N 3.33Å
345	L	81.3	Confident	75.6	Confident	17 Å²	17	27.7 Å²	27.7	9%	0.089	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-3.5	177.4	-62.4	169.2	0	0	0	112.3	F272 D343 R359 L360 V363 Q437	F272-L345 HydrophobicContact CD2-CD2 4Å; F272-L345 HydrophobicContact CE1-CD2 4.3Å; F272-L345 HydrophobicContact CE2-CB 4.31Å; F272-L345 HydrophobicContact CE2-CD2 3.11Å; F272-L345 HydrophobicContact CE2-CG 3.44Å; F272-L345 VanDerWaalsContact CE2-CG 3.44Å; F272-L345 HydrophobicContact CZ-CD1 4.19Å; F272-L345 HydrophobicContact CZ-CD2 3.31Å; F272-L345 HydrophobicContact CZ-CG 3.41Å; F272-L345 VanDerWaalsContact CZ-CG 3.41Å; D343-L345 PolarHBondContact O-N 2.86Å; D343-L345 PolarHBondContact OD1-N 2.87Å; L345-R359 CarbonylContact O-C 3.36Å; L345-R359 WeakPolarHBondContact O-CA 3.15Å; L345-L360 WeakPolarHBondContact CD2-O 3.43Å; L345-L360 PolarHBondContact O-N 3.26Å; L345-V363 HydrophobicContact CD2-CB 3.68Å; L345-V363 HydrophobicContact CD2-CG1 3.97Å; L345-Q437 HydrophobicContact CD1-CG 4.4Å
346	R	85.7	Confident	76.9	Confident	6 Å²	6	27.4 Å²	27.4	2%	0.023	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.5	-177.3	80.1	177.9	164.3	-160.4	-11.3	113	D340 D343 P344 F348 E357 I358 R359	D340-R346 HydrophobicContact CB-CG 3.67Å; D340-R346 VanDerWaalsContact CB-NE 3.32Å; D340-R346 VanDerWaalsContact CG-NE 3.35Å; D340-R346 IonicContact OD2-CZ 3.89Å; D340-R346 IonicContact OD2-NE 3.03Å; D340-R346 PolarHBondContact OD2-NE 3.13Å; D340-R346 IonicContact OD2-NH2 3.96Å; D340-R346 PolarHBondContact OD2-NH2 3.02Å; D343-R346 HydrophobicContact CB-CG 3.83Å; D343-R346 WeakPolarHBondContact O-CG 3.39Å; D343-R346 PolarHBondContact O-N 2.72Å; D343-R346 VanDerWaalsContact O-N 3.1Å; D343-R346 WeakPolarHBondContact OD2-CD 3.26Å; D343-R346 IonicContact OD2-CZ 3.83Å; D343-R346 IonicContact OD2-NE 3.96Å; D343-R346 IonicContact OD2-NH1 3.11Å; P344-R346 VanDerWaalsContact C-N 3.33Å; R346-F348 HydrophobicContact CG-CZ 4.31Å; R346-E357 HydrophobicContact CB-CG 4.25Å; R346-E357 WeakPolarHBondContact CD-OE1 3.44Å; R346-E357 IonicContact CZ-OE1 3.98Å; R346-E357 IonicContact NE-OE1 3.48Å; R346-E357 IonicContact NH1-OE1 3.75Å; R346-E357 PolarHBondContact NH1-OE1 3.09Å; R346-E357 VanDerWaalsContact NH1-OE1 3.11Å; R346-I358 VanDerWaalsContact CA-O 3.23Å; R346-I358 WeakPolarHBondContact CA-O 3.44Å; R346-R359 HydrophobicContact CB-CG 4.12Å
347	Y	88.4	Confident	78.1	Confident	1 Å²	1	23.7 Å²	23.7	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	165.7	165.1	66.8	-90.4	0	0	0	109.7	M269 L278 H288 L337 L338 I349 I358 L360	M269-Y347 HydrophobicContact CE-CD1 4.48Å; M269-Y347 HydrophobicContact SD-CD1 3.77Å; M269-Y347 HydrophobicContact SD-CE1 4.45Å; M269-Y347 HydrophobicContact SD-CG 4.49Å; L278-Y347 HydrophobicContact CD1-CD1 3.82Å; L278-Y347 HydrophobicContact CD1-CD2 4.15Å; L278-Y347 HydrophobicContact CD1-CE1 3.86Å; L278-Y347 HydrophobicContact CD1-CE2 4.15Å; L278-Y347 HydrophobicContact CD1-CG 3.96Å; L278-Y347 HydrophobicContact CD2-CE1 4.12Å; H288-Y347 AromaticContact NE2-CE1 3.76Å; H288-Y347 AromaticContact NE2-CZ 3.68Å; H288-Y347 PolarHBondContact NE2-OH 2.95Å; L337-Y347 HydrophobicContact CD2-CD2 3.17Å; L337-Y347 HydrophobicContact CD2-CE2 3.23Å; L337-Y347 HydrophobicContact CD2-CG 4.11Å; L338-Y347 VanDerWaalsContact O-CA 3.28Å; L338-Y347 WeakPolarHBondContact O-CA 3.41Å; Y347-I349 HydrophobicContact CD2-CG1 4.02Å; Y347-I349 HydrophobicContact CE2-CD1 3.7Å; Y347-I349 HydrophobicContact CE2-CG1 3.62Å; Y347-I358 HydrophobicContact CD1-CB 4.14Å; Y347-I358 HydrophobicContact CD1-CG2 4.48Å; Y347-I358 HydrophobicContact CD2-CB 4.25Å; Y347-I358 HydrophobicContact CD2-CG1 4.39Å; Y347-I358 HydrophobicContact CE1-CB 3.61Å; Y347-I358 HydrophobicContact CE1-CG1 4.39Å; Y347-I358 HydrophobicContact CE1-CG2 3.6Å; Y347-I358 HydrophobicContact CE2-CB 3.78Å; Y347-I358 HydrophobicContact CE2-CG1 3.7Å; Y347-I358 HydrophobicContact CE2-CG2 4.41Å; Y347-I358 HydrophobicContact CG-CB 4.44Å; Y347-I358 VanDerWaalsContact CZ-CB 3.42Å; Y347-I358 PolarHBondContact N-O 3.07Å; Y347-I358 PolarHBondContact O-N 3.07Å; Y347-I358 WeakPolarHBondContact OH-CG2 3.09Å; Y347-L360 HydrophobicContact CD1-CD1 4.47Å; Y347-L360 HydrophobicContact CE1-CD1 4.16Å; Y347-L360 HydrophobicContact CE1-CD2 4.05Å; Y347-L360 HydrophobicContact CE1-CG 4.18Å
348	F	86.2	Confident	79.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	157.1	-177.9	-54.4	-75.6	0	0	0	112.2	Y336 L338 D340 R346 V355 H356 E357 I389 L406 L418 L432	Y336-F348 CarbonylContact O-C 3.47Å; L338-F348 HydrophobicContact CB-CB 4.44Å; L338-F348 HydrophobicContact CB-CD2 4.12Å; L338-F348 HydrophobicContact CD2-CD2 4.09Å; L338-F348 HydrophobicContact CG-CD2 4.23Å; L338-F348 VanDerWaalsContact O-CD2 3.26Å; L338-F348 WeakPolarHBondContact O-CD2 3.4Å; L338-F348 PolarHBondContact O-N 3.07Å; L338-F348 VanDerWaalsContact O-N 3.1Å; D340-F348 HydrophobicContact CB-CE2 4.25Å; R346-F348 HydrophobicContact CG-CZ 4.31Å; F348-V355 HydrophobicContact CB-CG1 4.28Å; F348-H356 CarbonylContact C-O 3.52Å; F348-H356 WeakPolarHBondContact CA-O 3.49Å; F348-E357 HydrophobicContact CD1-CB 3.97Å; F348-E357 HydrophobicContact CD1-CG 4.46Å; F348-E357 HydrophobicContact CE1-CB 3.87Å; F348-E357 HydrophobicContact CE1-CG 4Å; F348-I389 HydrophobicContact CD1-CD1 4.13Å; F348-I389 HydrophobicContact CE1-CD1 3.66Å; F348-L406 HydrophobicContact CB-CD2 3.78Å; F348-L406 HydrophobicContact CG-CD2 4.33Å; F348-L418 HydrophobicContact CD1-CD1 4.41Å; F348-L418 HydrophobicContact CD1-CD2 4.09Å; F348-L418 HydrophobicContact CD2-CD1 3.88Å; F348-L418 HydrophobicContact CE1-CD2 4.24Å; F348-L418 HydrophobicContact CE2-CD1 3.99Å; F348-L418 HydrophobicContact CG-CD1 4.11Å; F348-L418 HydrophobicContact CG-CD2 4.47Å; F348-L418 HydrophobicContact CZ-CD1 4.32Å; F348-L432 HydrophobicContact CE1-CD1 4.31Å; F348-L432 HydrophobicContact CE1-CD2 3.82Å; F348-L432 HydrophobicContact CE2-CD1 4.21Å; F348-L432 HydrophobicContact CZ-CD1 3.52Å; F348-L432 HydrophobicContact CZ-CD2 3.9Å; F348-L432 HydrophobicContact CZ-CG 4.36Å
349	I	84	Confident	79.8	Confident	7 Å²	7	21.6 Å²	21.6	4%	0.036	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	116.8	-178.8	-68.4	-166.2	0	0	0	107.6	I286 L335 Y347 V355 H356 I358	I286-I349 HydrophobicContact CD1-CD1 3.21Å; L335-I349 HydrophobicContact CD2-CB 4.28Å; L335-I349 HydrophobicContact CD2-CG2 3.04Å; L335-I349 HydrophobicContact CG-CG2 4.36Å; Y347-I349 HydrophobicContact CD2-CG1 4.02Å; Y347-I349 HydrophobicContact CE2-CD1 3.7Å; Y347-I349 HydrophobicContact CE2-CG1 3.62Å; I349-V355 CarbonylContact O-C 3.6Å; I349-V355 VanDerWaalsContact O-CA 3.27Å; I349-V355 WeakPolarHBondContact O-CA 3.34Å; I349-H356 PolarHBondContact N-O 2.63Å; I349-H356 PolarHBondContact O-N 3.05Å; I349-I358 HydrophobicContact CD1-CD1 3.84Å; I349-I358 HydrophobicContact CD1-CG1 3.29Å; I349-I358 HydrophobicContact CG1-CD1 4.5Å; I349-I358 HydrophobicContact CG1-CG1 3.76Å
350	S	80.6	Confident	80.5	Confident	2 Å²	2	19 Å²	19	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.1	176.7	-177.3	0	0	0	0	111.5	V334 L335	V334-S350 CarbonylContact C-O 3.54Å; V334-S350 CarbonylContact O-C 3.4Å; V334-S350 WeakPolarHBondContact O-CB 3.34Å; L335-S350 WeakPolarHBondContact CD2-O 3.46Å
351	H	76.6	Confident	80.8	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	179.3	178.1	64.6	102.7	0	0	0	111.7	L322 I333 L335 K353 G354 H356	L322-H351 HydrophobicContact CD2-CB 3.49Å; L322-H351 VanDerWaalsContact CD2-CB 3.49Å; L322-H351 VanDerWaalsContact CD2-CG 3.49Å; I333-H351 HydrophobicContact CG1-CB 4.28Å; I333-H351 HydrophobicContact CG2-CB 4.32Å; L335-H351 HydrophobicContact CD2-CB 4.19Å; H351-K353 PolarHBondContact ND1-N 2.81Å; H351-K353 PolarHBondContact O-N 2.8Å; H351-G354 PolarHBondContact CD2-O 2.85Å; H351-G354 PolarHBondContact N-O 2.91Å; H351-G354 PolarHBondContact O-N 2.77Å; H351-H356 AromaticContact CD2-ND1 3.71Å; H351-H356 AromaticContact CE1-CE1 3.74Å; H351-H356 AromaticContact CE1-ND1 3.85Å; H351-H356 AromaticContact NE2-CE1 3.12Å; H351-H356 PolarHBondContact NE2-CE1 3.42Å; H351-H356 AromaticContact NE2-ND1 2.81Å; H351-H356 PolarHBondContact NE2-ND1 2.73Å
352	R	70.5	Confident	81.6	Confident	40 Å²	40	16.9 Å²	16.9	15%	0.151	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.3	-175.9	60.5	179.1	175.5	-159.3	-9.6	117.6	L322 G323 I333 P402	L322-R352 PolarHBondContact O-NE 3.35Å; L322-R352 PolarHBondContact O-NH2 3.27Å; G323-R352 PolarHBondContact O-NH2 2.88Å; I333-R352 HydrophobicContact CG1-CG 4.37Å; R352-P402 WeakPolarHBondContact O-CD 3.41Å
353	K	71.1	Confident	82.2	Confident	84 Å²	84	12.6 Å²	12.6	37%	0.365	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-10	176.4	-53.3	-175.4	-175.6	165.9	0	112.9	I321 H351 Q391 S392	I321-K353 WeakPolarHBondContact O-CD 3.47Å; I321-K353 WeakPolarHBondContact O-CE 3.49Å; I321-K353 PolarHBondContact O-NZ 3.41Å; H351-K353 PolarHBondContact ND1-N 2.81Å; H351-K353 PolarHBondContact O-N 2.8Å; K353-Q391 CarbonylContact O-C 3.49Å; K353-Q391 VanDerWaalsContact O-CA 3.32Å; K353-Q391 WeakPolarHBondContact O-CA 3.35Å; K353-S392 PolarHBondContact O-N 3.29Å
354	G	77.7	Confident	82.4	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.8	-147.9	-179	0	0	0	0	0	112.7	H351 F390	H351-G354 PolarHBondContact CD2-O 2.85Å; H351-G354 PolarHBondContact N-O 2.91Å; H351-G354 PolarHBondContact O-N 2.77Å; G354-F390 CarbonylContact C-O 3.58Å; G354-F390 VanDerWaalsContact CA-O 3.24Å; G354-F390 WeakPolarHBondContact CA-O 3.23Å
355	V	82.3	Confident	82.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.7	-173.7	-174.7	0	0	0	0	109.8	F348 I349 I389 F390 V403 L406 L418 L420	F348-V355 HydrophobicContact CB-CG1 4.28Å; I349-V355 CarbonylContact O-C 3.6Å; I349-V355 VanDerWaalsContact O-CA 3.27Å; I349-V355 WeakPolarHBondContact O-CA 3.34Å; V355-I389 PolarHBondContact O-N 3.41Å; V355-F390 HydrophobicContact CB-CB 4.2Å; V355-F390 HydrophobicContact CG2-CB 4.47Å; V355-F390 HydrophobicContact CG2-CD1 4.43Å; V355-F390 PolarHBondContact N-O 3.41Å; V355-F390 PolarHBondContact O-N 2.9Å; V355-V403 HydrophobicContact CG2-CG2 3.75Å; V355-L406 HydrophobicContact CG1-CD1 4.36Å; V355-L406 HydrophobicContact CG1-CD2 4.24Å; V355-L406 HydrophobicContact CG2-CD1 3.9Å; V355-L418 HydrophobicContact CG1-CD2 4.3Å; V355-L420 HydrophobicContact CG2-CD2 3.83Å
356	H	83.9	Confident	82.6	Confident	7 Å²	7	16 Å²	16	3%	0.032	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.7	174.2	-69.6	67.3	0	0	0	110.1	I321 F348 I349 H351 I387 P388	I321-H356 WeakPolarHBondContact CG2-CE1 3.49Å; I321-H356 WeakPolarHBondContact CG2-NE2 3.24Å; F348-H356 CarbonylContact C-O 3.52Å; F348-H356 WeakPolarHBondContact CA-O 3.49Å; I349-H356 PolarHBondContact N-O 2.63Å; I349-H356 PolarHBondContact O-N 3.05Å; H351-H356 AromaticContact CD2-ND1 3.71Å; H351-H356 AromaticContact CE1-CE1 3.74Å; H351-H356 AromaticContact CE1-ND1 3.85Å; H351-H356 AromaticContact NE2-CE1 3.12Å; H351-H356 PolarHBondContact NE2-CE1 3.42Å; H351-H356 AromaticContact NE2-ND1 2.81Å; H351-H356 PolarHBondContact NE2-ND1 2.73Å; H356-I387 CarbonylContact C-O 3.54Å; H356-I387 VanDerWaalsContact CA-O 3.3Å; H356-I387 WeakPolarHBondContact CA-O 3.13Å; H356-P388 VanDerWaalsContact CD2-CA 3.48Å; H356-P388 WeakPolarHBondContact CD2-CA 3.48Å; H356-P388 WeakPolarHBondContact NE2-CB 3.15Å
357	E	86.7	Confident	82.5	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.019	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.8	164.2	171.5	-177.5	-142.6	0	0	108	R346 F348 R359 I387 I389	R346-E357 HydrophobicContact CB-CG 4.25Å; R346-E357 WeakPolarHBondContact CD-OE1 3.44Å; R346-E357 IonicContact CZ-OE1 3.98Å; R346-E357 IonicContact NE-OE1 3.48Å; R346-E357 IonicContact NH1-OE1 3.75Å; R346-E357 PolarHBondContact NH1-OE1 3.09Å; R346-E357 VanDerWaalsContact NH1-OE1 3.11Å; F348-E357 HydrophobicContact CD1-CB 3.97Å; F348-E357 HydrophobicContact CD1-CG 4.46Å; F348-E357 HydrophobicContact CE1-CB 3.87Å; F348-E357 HydrophobicContact CE1-CG 4Å; E357-R359 VanDerWaalsContact CD-CZ 3.48Å; E357-R359 HydrophobicContact CG-CG 4.34Å; E357-R359 IonicContact OE1-CZ 2.98Å; E357-R359 IonicContact OE1-NE 3.78Å; E357-R359 IonicContact OE1-NH1 3.01Å; E357-R359 PolarHBondContact OE1-NH1 2.81Å; E357-R359 IonicContact OE1-NH2 2.73Å; E357-R359 PolarHBondContact OE1-NH2 3.25Å; E357-R359 IonicContact OE2-CZ 3.61Å; E357-R359 IonicContact OE2-NH1 2.78Å; E357-R359 PolarHBondContact OE2-NH1 2.87Å; E357-R359 IonicContact OE2-NH2 3.84Å; E357-I387 PolarHBondContact N-O 2.64Å; E357-I387 PolarHBondContact O-N 3.22Å; E357-I389 HydrophobicContact CB-CD1 3.36Å; E357-I389 HydrophobicContact CB-CG1 3.7Å; E357-I389 HydrophobicContact CG-CD1 4.14Å
358	I	87.1	Confident	82	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.7	168.3	-52.7	-51.1	0	0	0	108	L316 R346 Y347 I349 L360 S385 A386	L316-I358 HydrophobicContact CD2-CD1 3.81Å; L316-I358 HydrophobicContact CD2-CG1 4.26Å; L316-I358 HydrophobicContact CD2-CG2 3.78Å; R346-I358 VanDerWaalsContact CA-O 3.23Å; R346-I358 WeakPolarHBondContact CA-O 3.44Å; Y347-I358 HydrophobicContact CD1-CB 4.14Å; Y347-I358 HydrophobicContact CD1-CG2 4.48Å; Y347-I358 HydrophobicContact CD2-CB 4.25Å; Y347-I358 HydrophobicContact CD2-CG1 4.39Å; Y347-I358 HydrophobicContact CE1-CB 3.61Å; Y347-I358 HydrophobicContact CE1-CG1 4.39Å; Y347-I358 HydrophobicContact CE1-CG2 3.6Å; Y347-I358 HydrophobicContact CE2-CB 3.78Å; Y347-I358 HydrophobicContact CE2-CG1 3.7Å; Y347-I358 HydrophobicContact CE2-CG2 4.41Å; Y347-I358 HydrophobicContact CG-CB 4.44Å; Y347-I358 VanDerWaalsContact CZ-CB 3.42Å; Y347-I358 PolarHBondContact N-O 3.07Å; Y347-I358 PolarHBondContact O-N 3.07Å; Y347-I358 WeakPolarHBondContact OH-CG2 3.09Å; I349-I358 HydrophobicContact CD1-CD1 3.84Å; I349-I358 HydrophobicContact CD1-CG1 3.29Å; I349-I358 HydrophobicContact CG1-CD1 4.5Å; I349-I358 HydrophobicContact CG1-CG1 3.76Å; I358-L360 HydrophobicContact CG2-CD2 4.03Å; I358-S385 WeakPolarHBondContact CA-O 3.43Å; I358-A386 HydrophobicContact CD1-CB 3.35Å
359	R	86.5	Confident	81.6	Confident	27 Å²	27	22 Å²	22	10%	0.102	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.3	172.2	-77.8	-165.4	162.6	86.6	7.6	110.9	D343 L345 R346 E357 P361 S384 S385	D343-R359 IonicContact OD2-CZ 3.86Å; D343-R359 IonicContact OD2-NE 3.92Å; D343-R359 IonicContact OD2-NH2 3.23Å; D343-R359 PolarHBondContact OD2-NH2 2.87Å; L345-R359 CarbonylContact O-C 3.36Å; L345-R359 WeakPolarHBondContact O-CA 3.15Å; R346-R359 HydrophobicContact CB-CG 4.12Å; E357-R359 VanDerWaalsContact CD-CZ 3.48Å; E357-R359 HydrophobicContact CG-CG 4.34Å; E357-R359 IonicContact OE1-CZ 2.98Å; E357-R359 IonicContact OE1-NE 3.78Å; E357-R359 IonicContact OE1-NH1 3.01Å; E357-R359 PolarHBondContact OE1-NH1 2.81Å; E357-R359 IonicContact OE1-NH2 2.73Å; E357-R359 PolarHBondContact OE1-NH2 3.25Å; E357-R359 IonicContact OE2-CZ 3.61Å; E357-R359 IonicContact OE2-NH1 2.78Å; E357-R359 PolarHBondContact OE2-NH1 2.87Å; E357-R359 IonicContact OE2-NH2 3.84Å; R359-P361 WeakPolarHBondContact O-CD 3.47Å; R359-S384 VanDerWaalsContact O-CA 3.26Å; R359-S384 WeakPolarHBondContact O-CA 3.48Å; R359-S384 VanDerWaalsContact O-CB 3.28Å; R359-S384 WeakPolarHBondContact O-CB 3.12Å; R359-S384 PolarHBondContact O-OG 2.82Å; R359-S385 PolarHBondContact N-O 3.03Å; R359-S385 PolarHBondContact O-N 2.75Å
360	L	87.8	Confident	81.3	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.135	C	C	.	.			trans	-113.7	62.5	-179.6	-50.1	-176.3	0	0	0	111.7	M269 I276 L278 H288 L345 Y347 I358 W362 V363 S384	M269-L360 HydrophobicContact SD-CD1 3.84Å; I276-L360 HydrophobicContact CG2-CD1 4.47Å; L278-L360 HydrophobicContact CD2-CD1 4.45Å; H288-L360 VanDerWaalsContact CD2-CD2 3.43Å; H288-L360 WeakPolarHBondContact CD2-CD2 3.46Å; H288-L360 WeakPolarHBondContact NE2-CD2 3.39Å; L345-L360 WeakPolarHBondContact CD2-O 3.43Å; L345-L360 PolarHBondContact O-N 3.26Å; Y347-L360 HydrophobicContact CD1-CD1 4.47Å; Y347-L360 HydrophobicContact CE1-CD1 4.16Å; Y347-L360 HydrophobicContact CE1-CD2 4.05Å; Y347-L360 HydrophobicContact CE1-CG 4.18Å; I358-L360 HydrophobicContact CG2-CD2 4.03Å; L360-W362 PolarHBondContact O-N 3.07Å; L360-V363 HydrophobicContact CB-CG2 3.68Å; L360-V363 HydrophobicContact CD1-CG2 4.34Å; L360-V363 WeakPolarHBondContact O-CB 3.2Å; L360-V363 WeakPolarHBondContact O-CG2 3.42Å; L360-V363 PolarHBondContact O-N 2.46Å; L360-V363 VanDerWaalsContact O-N 3.07Å; L360-S384 WeakPolarHBondContact CD2-OG 3.35Å
361	P	82.9	Confident	80.9	Confident	35 Å²	35	29.4 Å²	29.4	23%	0.227	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-34.5	-174.2	25	-33.3	0	0	0	113.1	R359 V363 S364	R359-P361 WeakPolarHBondContact O-CD 3.47Å; P361-V363 PolarHBondContact O-N 3.25Å; P361-S364 PolarHBondContact O-N 2.74Å; P361-S364 VanDerWaalsContact O-N 3.09Å; P361-S364 PolarHBondContact O-OG 3.44Å
362	W	86.3	Confident	80.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-54.4	-26.9	176.1	63.5	-96	0	0	0	113.7	H288 L290 Y313 E314 L360 S364 E365 F366 F381 S382 S384	H288-W362 HydrophobicContact CB-CZ2 4.08Å; L290-W362 HydrophobicContact CD1-CH2 4.36Å; L290-W362 HydrophobicContact CD1-CZ3 4.1Å; L290-W362 HydrophobicContact CD2-CH2 3.8Å; L290-W362 HydrophobicContact CD2-CZ3 3.94Å; L290-W362 HydrophobicContact CG-CH2 4Å; L290-W362 HydrophobicContact CG-CZ3 4.2Å; Y313-W362 AromaticContact CD1-CD2 3.59Å; Y313-W362 HydrophobicContact CD1-CD2 3.59Å; Y313-W362 AromaticContact CD1-CE2 3.58Å; Y313-W362 AromaticContact CD1-CE3 3.69Å; Y313-W362 HydrophobicContact CD1-CE3 3.69Å; Y313-W362 HydrophobicContact CD1-CG 4.22Å; Y313-W362 AromaticContact CD1-CH2 3.83Å; Y313-W362 HydrophobicContact CD1-CH2 3.83Å; Y313-W362 AromaticContact CD1-CZ2 3.72Å; Y313-W362 HydrophobicContact CD1-CZ2 3.72Å; Y313-W362 AromaticContact CD1-CZ3 3.82Å; Y313-W362 HydrophobicContact CD1-CZ3 3.82Å; Y313-W362 HydrophobicContact CD2-CZ3 4.41Å; Y313-W362 HydrophobicContact CE1-CB 4.03Å; Y313-W362 AromaticContact CE1-CD2 3.34Å; Y313-W362 HydrophobicContact CE1-CD2 3.34Å; Y313-W362 AromaticContact CE1-CE2 3.8Å; Y313-W362 AromaticContact CE1-CE3 3.5Å; Y313-W362 HydrophobicContact CE1-CE3 3.5Å; Y313-W362 AromaticContact CE1-CG 3.59Å; Y313-W362 HydrophobicContact CE1-CG 3.59Å; Y313-W362 HydrophobicContact CE1-CH2 4.49Å; Y313-W362 HydrophobicContact CE1-CZ2 4.36Å; Y313-W362 HydrophobicContact CE1-CZ3 4.1Å; Y313-W362 HydrophobicContact CE2-CE3 4.43Å; Y313-W362 HydrophobicContact CG-CE3 4.24Å; Y313-W362 HydrophobicContact CG-CH2 4.03Å; Y313-W362 HydrophobicContact CG-CZ2 4.32Å; Y313-W362 AromaticContact CG-CZ3 3.99Å; Y313-W362 HydrophobicContact CG-CZ3 3.99Å; Y313-W362 AromaticContact CZ-CE3 3.9Å; E314-W362 VanDerWaalsContact CD-NE1 3.34Å; E314-W362 PolarHBondContact OE1-NE1 2.79Å; L360-W362 PolarHBondContact O-N 3.07Å; W362-S364 VanDerWaalsContact C-N 3.31Å; W362-S364 PolarHBondContact O-N 3.04Å; W362-E365 PolarHBondContact O-N 3.42Å; W362-F366 HydrophobicContact CE3-CB 4.21Å; W362-F366 WeakPolarHBondContact O-CB 3.3Å; W362-F366 PolarHBondContact O-N 2.81Å; W362-F381 HydrophobicContact CB-CB 4.03Å; W362-S382 VanDerWaalsContact CB-O 3.3Å; W362-S382 WeakPolarHBondContact CB-O 3.18Å; W362-S382 PolarHBondContact N-O 3.11Å; W362-S384 PolarHBondContact NE1-OG 2.59Å
363	V	86.1	Confident	79.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-43	179.7	171.8	0	0	0	0	110.6	F272 I274 I276 L345 L360 P361 E365 F366 L367	F272-V363 HydrophobicContact CB-CG1 4.26Å; F272-V363 HydrophobicContact CD2-CG1 3.83Å; F272-V363 HydrophobicContact CE2-CG1 4.34Å; F272-V363 HydrophobicContact CG-CG1 3.99Å; I274-V363 HydrophobicContact CD1-CG1 4.11Å; I276-V363 HydrophobicContact CD1-CB 4.25Å; I276-V363 HydrophobicContact CD1-CG1 3.82Å; I276-V363 HydrophobicContact CD1-CG2 3.37Å; L345-V363 HydrophobicContact CD2-CB 3.68Å; L345-V363 HydrophobicContact CD2-CG1 3.97Å; L360-V363 HydrophobicContact CB-CG2 3.68Å; L360-V363 HydrophobicContact CD1-CG2 4.34Å; L360-V363 WeakPolarHBondContact O-CB 3.2Å; L360-V363 WeakPolarHBondContact O-CG2 3.42Å; L360-V363 PolarHBondContact O-N 2.46Å; L360-V363 VanDerWaalsContact O-N 3.07Å; P361-V363 PolarHBondContact O-N 3.25Å; V363-E365 VanDerWaalsContact C-N 3.34Å; V363-E365 PolarHBondContact O-N 2.8Å; V363-F366 PolarHBondContact O-N 2.86Å; V363-L367 HydrophobicContact CG1-CD1 4.25Å; V363-L367 VanDerWaalsContact O-CG 3.28Å; V363-L367 WeakPolarHBondContact O-CG 3.47Å; V363-L367 PolarHBondContact O-N 3.01Å; V363-L367 VanDerWaalsContact O-N 3.09Å
364	S	81.4	Confident	78.9	Confident	30 Å²	30	42.8 Å²	42.8	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-40.2	179.5	68.7	0	0	0	0	111.9	P361 W362 L368 R440	P361-S364 PolarHBondContact O-N 2.74Å; P361-S364 VanDerWaalsContact O-N 3.09Å; P361-S364 PolarHBondContact O-OG 3.44Å; W362-S364 VanDerWaalsContact C-N 3.31Å; W362-S364 PolarHBondContact O-N 3.04Å; S364-L368 VanDerWaalsContact O-CG 3.3Å; S364-L368 WeakPolarHBondContact O-CG 3.2Å; S364-L368 PolarHBondContact O-N 3.05Å; S364-L368 VanDerWaalsContact O-N 3.12Å; S364-R440 PolarHBondContact O-NH2 3.25Å
365	E	81.7	Confident	77.7	Confident	46 Å²	46	52.3 Å²	52.3	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-41.2	177.3	-65.3	166	179.5	0	0	111.1	W362 V363 L367 L368 A369 F381 S382	W362-E365 PolarHBondContact O-N 3.42Å; V363-E365 VanDerWaalsContact C-N 3.34Å; V363-E365 PolarHBondContact O-N 2.8Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 2.87Å; E365-L368 WeakPolarHBondContact O-CB 3.36Å; E365-L368 PolarHBondContact O-N 3.39Å; E365-A369 WeakPolarHBondContact O-CB 3.4Å; E365-A369 PolarHBondContact O-N 2.78Å; E365-F381 HydrophobicContact CB-CD1 3.55Å; E365-F381 HydrophobicContact CB-CE1 3.87Å; E365-F381 WeakPolarHBondContact OE2-CA 3.41Å; E365-S382 VanDerWaalsContact OE1-CB 3.24Å; E365-S382 WeakPolarHBondContact OE1-CB 3.2Å; E365-S382 PolarHBondContact OE1-OG 2.87Å; E365-S382 PolarHBondContact OE2-N 2.89Å
366	F	82.1	Confident	76.2	Confident	45 Å²	45	56.1 Å²	56.1	20%	0.197	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-43.8	177	176.1	-94.6	0	0	0	111.4	I274 L290 W362 V363 A369 S370 F381	I274-F366 HydrophobicContact CD1-CD1 4.46Å; L290-F366 HydrophobicContact CD1-CE1 4.42Å; L290-F366 HydrophobicContact CD1-CE2 4.24Å; L290-F366 HydrophobicContact CD1-CZ 4.1Å; W362-F366 HydrophobicContact CE3-CB 4.21Å; W362-F366 WeakPolarHBondContact O-CB 3.3Å; W362-F366 PolarHBondContact O-N 2.81Å; V363-F366 PolarHBondContact O-N 2.86Å; F366-A369 PolarHBondContact O-N 3.08Å; F366-S370 WeakPolarHBondContact O-CB 3.3Å; F366-S370 PolarHBondContact O-N 3.5Å; F366-S370 PolarHBondContact O-OG 2.95Å; F366-F381 HydrophobicContact CB-CE1 4.23Å
367	L	81.7	Confident	74.8	Confident	34 Å²	34	63.6 Å²	63.6	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-39.3	175.7	-66.9	168	0	0	0	111.9	F272 I274 V363 E365 S370 S371	F272-L367 HydrophobicContact CB-CD1 3.87Å; F272-L367 HydrophobicContact CD1-CD1 3.61Å; F272-L367 HydrophobicContact CE1-CD1 4.49Å; F272-L367 HydrophobicContact CG-CD1 3.98Å; I274-L367 HydrophobicContact CD1-CD2 4.21Å; I274-L367 HydrophobicContact CG1-CD2 4.48Å; I274-L367 HydrophobicContact CG2-CD2 3.89Å; V363-L367 HydrophobicContact CG1-CD1 4.25Å; V363-L367 VanDerWaalsContact O-CG 3.28Å; V363-L367 WeakPolarHBondContact O-CG 3.47Å; V363-L367 PolarHBondContact O-N 3.01Å; V363-L367 VanDerWaalsContact O-N 3.09Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 2.87Å; L367-S370 PolarHBondContact O-N 2.97Å; L367-S371 PolarHBondContact O-N 2.96Å
368	L	78.4	Confident	73.2	Confident	78 Å²	78	72.1 Å²	72.1	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-63.9	-45.9	175.5	-73.8	167.7	0	0	0	111.2	S364 E365 S370 S371	S364-L368 VanDerWaalsContact O-CG 3.3Å; S364-L368 WeakPolarHBondContact O-CG 3.2Å; S364-L368 PolarHBondContact O-N 3.05Å; S364-L368 VanDerWaalsContact O-N 3.12Å; E365-L368 WeakPolarHBondContact O-CB 3.36Å; E365-L368 PolarHBondContact O-N 3.39Å; L368-S370 VanDerWaalsContact C-N 3.34Å; L368-S370 PolarHBondContact O-N 3.07Å; L368-S371 PolarHBondContact O-N 3.5Å; L368-S371 PolarHBondContact O-OG 2.76Å
369	A	77.9	Confident	71.9	Confident	19 Å²	19	75.3 Å²	75.3	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-60	-44	176.3	0	0	0	0	0	111.5	E365 F366 S371 R372 I379 F381	E365-A369 WeakPolarHBondContact O-CB 3.4Å; E365-A369 PolarHBondContact O-N 2.78Å; F366-A369 PolarHBondContact O-N 3.08Å; A369-S371 PolarHBondContact O-N 3.48Å; A369-R372 PolarHBondContact O-N 3.31Å; A369-I379 HydrophobicContact CB-CD1 3.5Å; A369-F381 HydrophobicContact CB-CE1 4.27Å; A369-F381 HydrophobicContact CB-CZ 4.09Å
370	S	77.1	Confident	70.5	Confident	78 Å²	78	80 Å²	80	55%	0.545	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-28.1	179.9	-59.5	0	0	0	0	113.2	F366 L367 L368	F366-S370 WeakPolarHBondContact O-CB 3.3Å; F366-S370 PolarHBondContact O-N 3.5Å; F366-S370 PolarHBondContact O-OG 2.95Å; L367-S370 PolarHBondContact O-N 2.97Å; L368-S370 VanDerWaalsContact C-N 3.34Å; L368-S370 PolarHBondContact O-N 3.07Å
371	S	74	Confident	69.8	Low	88 Å²	88	82.8 Å²	82.8	62%	0.615	46%	0.462	S	S	*	.	H	α-helix	trans	-79.3	-15.6	176.8	70.7	0	0	0	0	114.2	L367 L368 A369	L367-S371 PolarHBondContact O-N 2.96Å; L368-S371 PolarHBondContact O-N 3.5Å; L368-S371 PolarHBondContact O-OG 2.76Å; A369-S371 PolarHBondContact O-N 3.48Å
372	R	68.8	Low	69.5	Low	191 Å²	191	83.7 Å²	83.7	72%	0.721	47%	0.469	S	S	*	.	S	Bend	trans	-103.3	106.6	-177.4	-68	-177.5	177.7	-171.6	-0.6	110.2	A369 G374	A369-R372 PolarHBondContact O-N 3.31Å; R372-G374 PolarHBondContact O-N 3.25Å
373	T	54.7	Low	69	Low	148 Å²	148	88.7 Å²	88.7	91%	0.908	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	110.2	174	52.3	0	0	0	0	110.1
374	G	52.6	Low	68.8	Low	66 Å²	66	89.3 Å²	89.3	68%	0.68	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.1	-1.2	159.3	0	0	0	0	0	119.3	R372	R372-G374 PolarHBondContact O-N 3.25Å
375	Y	50.9	Low	68.7	Low	200 Å²	200	90.2 Å²	90.2	78%	0.784	51%	0.514	S	S	*	.			trans	-141.5	57.5	-177.9	-73	-86.9	0	0	0	112.9
376	A	52.6	Low	68.4	Low	80 Å²	80	89.5 Å²	89.5	66%	0.661	52%	0.516	S	S	*	.			trans	-75.9	-23.4	179.5	0	0	0	0	0	113.5	E378	A376-E378 PolarHBondContact O-N 3.45Å
377	D	53.2	Low	68.3	Low	165 Å²	165	89.4 Å²	89.4	88%	0.882	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.6	-161.7	-68.4	-20	0	0	0	115.8
378	E	54.5	Low	67.8	Low	182 Å²	182	91 Å²	91	85%	0.85	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	7.2	-177.5	-71.9	-171.8	164.4	0	0	115.1	A376 C380	A376-E378 PolarHBondContact O-N 3.45Å; E378-C380 PolarHBondContact O-N 3.42Å
379	I	57.8	Low	67.6	Low	67 Å²	67	89.5 Å²	89.5	34%	0.344	52%	0.521	S	S	.	.			trans	-84.2	102.6	-176.5	-56.3	176	0	0	0	109.8	A369 F381	A369-I379 HydrophobicContact CB-CD1 3.5Å; I379-F381 HydrophobicContact CB-CE2 4.37Å; I379-F381 HydrophobicContact CB-CZ 4.16Å; I379-F381 HydrophobicContact CG2-CD1 4.1Å; I379-F381 HydrophobicContact CG2-CE1 3.7Å; I379-F381 HydrophobicContact CG2-CE2 4.26Å; I379-F381 HydrophobicContact CG2-CZ 3.81Å; I379-F381 WeakPolarHBondContact O-CD2 3.4Å; I379-F381 PolarHBondContact O-N 3.29Å
380	C	59.1	Low	67.5	Low	126 Å²	126	90.4 Å²	90.4	85%	0.851	52%	0.522	S	S	*	.			trans	-75.8	104.6	171.1	-131.2	0	0	0	0	109.3	E378	E378-C380 PolarHBondContact O-N 3.42Å
381	F	71.4	Confident	67.2	Low	60 Å²	60	92.3 Å²	92.3	26%	0.263	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-76.2	139.5	179.2	-64.2	-76.4	0	0	0	112	Y313 W362 E365 F366 A369 I379 C383	Y313-F381 WeakPolarHBondContact OH-CB 3.36Å; Y313-F381 VanDerWaalsContact OH-CD2 3.26Å; Y313-F381 WeakPolarHBondContact OH-CD2 3.26Å; Y313-F381 WeakPolarHBondContact OH-CG 3.38Å; W362-F381 HydrophobicContact CB-CB 4.03Å; E365-F381 HydrophobicContact CB-CD1 3.55Å; E365-F381 HydrophobicContact CB-CE1 3.87Å; E365-F381 WeakPolarHBondContact OE2-CA 3.41Å; F366-F381 HydrophobicContact CB-CE1 4.23Å; A369-F381 HydrophobicContact CB-CE1 4.27Å; A369-F381 HydrophobicContact CB-CZ 4.09Å; I379-F381 HydrophobicContact CB-CE2 4.37Å; I379-F381 HydrophobicContact CB-CZ 4.16Å; I379-F381 HydrophobicContact CG2-CD1 4.1Å; I379-F381 HydrophobicContact CG2-CE1 3.7Å; I379-F381 HydrophobicContact CG2-CE2 4.26Å; I379-F381 HydrophobicContact CG2-CZ 3.81Å; I379-F381 WeakPolarHBondContact O-CD2 3.4Å; I379-F381 PolarHBondContact O-N 3.29Å; F381-C383 PolarHBondContact O-N 2.96Å
382	S	76.6	Confident	66.8	Low	53 Å²	53	89.4 Å²	89.4	37%	0.371	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-69.2	122.9	175.6	-64.8	0	0	0	0	111.1	W362 E365	W362-S382 VanDerWaalsContact CB-O 3.3Å; W362-S382 WeakPolarHBondContact CB-O 3.18Å; W362-S382 PolarHBondContact N-O 3.11Å; E365-S382 VanDerWaalsContact OE1-CB 3.24Å; E365-S382 WeakPolarHBondContact OE1-CB 3.2Å; E365-S382 PolarHBondContact OE1-OG 2.87Å; E365-S382 PolarHBondContact OE2-N 2.89Å
383	C	76.2	Confident	66.2	Low	106 Å²	106	87.1 Å²	87.1	72%	0.716	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.4	152.4	176.6	-58.2	0	0	0	0	112.6	F381	F381-C383 PolarHBondContact O-N 2.96Å
384	S	82.7	Confident	66	Low	13 Å²	13	88.5 Å²	88.5	9%	0.091	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-63.9	148.6	171.3	-70.6	0	0	0	0	113.1	E314 R359 L360 W362	E314-S384 VanDerWaalsContact CD-OG 3.23Å; E314-S384 WeakPolarHBondContact OE1-CB 3.38Å; E314-S384 PolarHBondContact OE1-OG 3.35Å; E314-S384 WeakPolarHBondContact OE2-CB 3.5Å; E314-S384 PolarHBondContact OE2-N 2.95Å; E314-S384 PolarHBondContact OE2-OG 2.72Å; R359-S384 VanDerWaalsContact O-CA 3.26Å; R359-S384 WeakPolarHBondContact O-CA 3.48Å; R359-S384 VanDerWaalsContact O-CB 3.28Å; R359-S384 WeakPolarHBondContact O-CB 3.12Å; R359-S384 PolarHBondContact O-OG 2.82Å; L360-S384 WeakPolarHBondContact CD2-OG 3.35Å; W362-S384 PolarHBondContact NE1-OG 2.59Å
385	S	78.1	Confident	65.9	Low	50 Å²	50	86.6 Å²	86.6	35%	0.35	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.8	-178.2	59.6	0	0	0	0	111.4	I358 R359	I358-S385 WeakPolarHBondContact CA-O 3.43Å; R359-S385 PolarHBondContact N-O 3.03Å; R359-S385 PolarHBondContact O-N 2.75Å
386	A	77.2	Confident	65.7	Low	31 Å²	31	82 Å²	82	26%	0.256	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.7	174.3	0	0	0	0	0	109.8	L316 I321 I358	L316-A386 HydrophobicContact CD2-CB 4.46Å; I321-A386 HydrophobicContact CD1-CB 3.5Å; I321-A386 VanDerWaalsContact CD1-CB 3.5Å; I358-A386 HydrophobicContact CD1-CB 3.35Å
387	I	78.4	Confident	65.4	Low	42 Å²	42	83.8 Å²	83.8	22%	0.215	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.4	-172.2	-51.2	-175.6	0	0	0	108.8	H356 E357 I389	H356-I387 CarbonylContact C-O 3.54Å; H356-I387 VanDerWaalsContact CA-O 3.3Å; H356-I387 WeakPolarHBondContact CA-O 3.13Å; E357-I387 PolarHBondContact N-O 2.64Å; E357-I387 PolarHBondContact O-N 3.22Å; I387-I389 PolarHBondContact O-N 3.12Å
388	P	71.6	Confident	65.4	Low	69 Å²	69	78.5 Å²	78.5	45%	0.448	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	119.2	175.7	25.3	-30.8	0	0	0	110.1	H356 Q391	H356-P388 VanDerWaalsContact CD2-CA 3.48Å; H356-P388 WeakPolarHBondContact CD2-CA 3.48Å; H356-P388 WeakPolarHBondContact NE2-CB 3.15Å; P388-Q391 HydrophobicContact CB-CG 3.99Å
389	I	75.4	Confident	65.4	Low	46 Å²	46	71.8 Å²	71.8	24%	0.236	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-37.2	172.1	-65.3	-165.3	0	0	0	110.6	F348 V355 E357 I387 L418 L430 L432	F348-I389 HydrophobicContact CD1-CD1 4.13Å; F348-I389 HydrophobicContact CE1-CD1 3.66Å; V355-I389 PolarHBondContact O-N 3.41Å; E357-I389 HydrophobicContact CB-CD1 3.36Å; E357-I389 HydrophobicContact CB-CG1 3.7Å; E357-I389 HydrophobicContact CG-CD1 4.14Å; I387-I389 PolarHBondContact O-N 3.12Å; I389-L418 HydrophobicContact CG2-CD2 4.28Å; I389-L430 HydrophobicContact CG2-CD1 3.54Å; I389-L432 HydrophobicContact CD1-CD2 3.51Å
390	F	74	Confident	65.3	Low	37 Å²	37	74.5 Å²	74.5	16%	0.162	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.7	177.3	176.3	-104.3	0	0	0	108.9	G354 V355 P402 V403 L420 L422 L428 L430	G354-F390 CarbonylContact C-O 3.58Å; G354-F390 VanDerWaalsContact CA-O 3.24Å; G354-F390 WeakPolarHBondContact CA-O 3.23Å; V355-F390 HydrophobicContact CB-CB 4.2Å; V355-F390 HydrophobicContact CG2-CB 4.47Å; V355-F390 HydrophobicContact CG2-CD1 4.43Å; V355-F390 PolarHBondContact N-O 3.41Å; V355-F390 PolarHBondContact O-N 2.9Å; F390-P402 HydrophobicContact CE1-CB 4.35Å; F390-P402 HydrophobicContact CE1-CG 4.31Å; F390-V403 HydrophobicContact CD1-CG2 4.15Å; F390-V403 HydrophobicContact CE1-CG2 4.12Å; F390-L420 HydrophobicContact CB-CD1 3.95Å; F390-L420 HydrophobicContact CD2-CD1 4.32Å; F390-L420 HydrophobicContact CG-CD1 4.02Å; F390-L422 HydrophobicContact CE1-CD2 3.85Å; F390-L422 HydrophobicContact CE2-CD2 4.47Å; F390-L422 HydrophobicContact CZ-CD1 4.38Å; F390-L422 HydrophobicContact CZ-CD2 3.72Å; F390-L428 HydrophobicContact CD2-CD2 3.6Å; F390-L428 HydrophobicContact CE2-CD2 3.61Å; F390-L430 HydrophobicContact CB-CD1 4.39Å
391	Q	71.9	Confident	65.5	Low	119 Å²	119	69.6 Å²	69.6	56%	0.556	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.2	170.7	-76.4	-176.8	-6.6	0	0	109.6	K353 P388 V393	K353-Q391 CarbonylContact O-C 3.49Å; K353-Q391 VanDerWaalsContact O-CA 3.32Å; K353-Q391 WeakPolarHBondContact O-CA 3.35Å; P388-Q391 HydrophobicContact CB-CG 3.99Å; Q391-V393 PolarHBondContact O-N 3.41Å
392	S	65.3	Low	65.5	Low	27 Å²	27	67.1 Å²	67.1	19%	0.189	41%	0.412	C	S	.	.			trans	-82	114.3	173.3	174.9	0	0	0	0	109.1	K353 Q394 T395	K353-S392 PolarHBondContact O-N 3.29Å; S392-Q394 VanDerWaalsContact C-N 3.3Å; S392-T395 WeakPolarHBondContact CB-OG1 3.03Å; S392-T395 PolarHBondContact OG-OG1 2.76Å
393	V	56.8	Low	65.6	Low	142 Å²	142	64.9 Å²	64.9	86%	0.861	40%	0.396	S	S	*	.	S	Bend	trans	-74.9	-24	175.6	-173	0	0	0	0	111.2	Q391	Q391-V393 PolarHBondContact O-N 3.41Å
394	Q	51	Low	65.7	Low	178 Å²	178	62.7 Å²	62.7	83%	0.832	38%	0.377	S	S	*	.	S	Bend	trans	-93.7	-11.7	-168.4	-83.2	-179	-10.4	0	0	115.9	S392	S392-Q394 VanDerWaalsContact C-N 3.3Å
395	T	49.6	Very low	65.7	Low	26 Å²	26	62.4 Å²	62.4	16%	0.16	38%	0.375	C	S	.	.			trans	-107.4	4.3	-166.4	51.6	0	0	0	0	116.5	S392 S397 S398 P402	S392-T395 WeakPolarHBondContact CB-OG1 3.03Å; S392-T395 PolarHBondContact OG-OG1 2.76Å; T395-S397 PolarHBondContact O-N 2.82Å; T395-S397 VanDerWaalsContact O-N 3.08Å; T395-S398 PolarHBondContact O-N 3.45Å; T395-S398 PolarHBondContact O-OG 3.31Å; T395-P402 HydrophobicContact CG2-CB 4.36Å
396	A	46.8	Very low	66.1	Low	103 Å²	103	60.7 Å²	60.7	85%	0.851	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30	179.2	0	0	0	0	0	113.1
397	S	45.7	Very low	66.6	Low	117 Å²	117	59.4 Å²	59.4	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-18.7	178.9	55.8	0	0	0	0	115.2	T395	T395-S397 PolarHBondContact O-N 2.82Å; T395-S397 VanDerWaalsContact O-N 3.08Å
398	S	53.3	Low	67	Low	55 Å²	55	57.9 Å²	57.9	39%	0.385	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.8	-168.7	80.4	0	0	0	0	115.4	T395 K400	T395-S398 PolarHBondContact O-N 3.45Å; T395-S398 PolarHBondContact O-OG 3.31Å; S398-K400 PolarHBondContact O-N 3.5Å
399	G	54.9	Low	67.5	Low	41 Å²	41	54.7 Å²	54.7	42%	0.423	32%	0.324	S	S	.	.			trans	63.2	-13.6	178.3	0	0	0	0	0	116.9
400	K	56.6	Low	67.6	Low	124 Å²	124	53.6 Å²	53.6	54%	0.539	32%	0.319	S	S	.	.	S	Bend	trans	-98.8	144.6	-176.9	-65.7	-175.1	-179.2	-176.3	0	111.4	S398 K423	S398-K400 PolarHBondContact O-N 3.5Å; K400-K423 HydrophobicContact CB-CD 4.41Å
401	P	63	Low	67.5	Low	23 Å²	23	52.3 Å²	52.3	15%	0.149	31%	0.314	C	S	.	.			trans	-66.3	138.9	-177.4	24.7	-30.4	0	0	0	112	V403	P401-V403 PolarHBondContact O-N 3.42Å
402	P	70.1	Confident	67.3	Low	8 Å²	8	50.7 Å²	50.7	5%	0.052	31%	0.314	C	S	.	.	S	Bend	trans	-71.7	-21.6	-178.7	28	-34.2	0	0	0	111.9	R352 F390 T395 L422 K423	R352-P402 WeakPolarHBondContact O-CD 3.41Å; F390-P402 HydrophobicContact CE1-CB 4.35Å; F390-P402 HydrophobicContact CE1-CG 4.31Å; T395-P402 HydrophobicContact CG2-CB 4.36Å; P402-L422 CarbonylContact O-C 3.49Å; P402-L422 VanDerWaalsContact O-CA 3.29Å; P402-L422 WeakPolarHBondContact O-CA 3.49Å; P402-K423 PolarHBondContact O-N 2.86Å
403	V	78.3	Confident	67.2	Low	5 Å²	5	56.8 Å²	56.8	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.4	-178.2	-179.6	0	0	0	0	109.2	V355 F390 P401 L406 L420 L421 L422	V355-V403 HydrophobicContact CG2-CG2 3.75Å; F390-V403 HydrophobicContact CD1-CG2 4.15Å; F390-V403 HydrophobicContact CE1-CG2 4.12Å; P401-V403 PolarHBondContact O-N 3.42Å; V403-L406 HydrophobicContact CG1-CD1 3.55Å; V403-L420 HydrophobicContact CG1-CD2 4.44Å; V403-L421 CarbonylContact C-O 3.46Å; V403-L421 WeakPolarHBondContact CA-O 3.44Å; V403-L422 HydrophobicContact CG2-CD2 3.99Å
404	L	78.7	Confident	67.7	Low	60 Å²	60	50.4 Å²	50.4	31%	0.314	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-41	176	-67	175.5	0	0	0	111.9	L421 K423	L404-L421 HydrophobicContact CB-CD2 4.21Å; L404-L421 HydrophobicContact CB-CG 4.28Å; L404-L421 HydrophobicContact CD1-CD2 4.43Å; L404-L421 HydrophobicContact CD1-CG 4.44Å; L404-L421 PolarHBondContact N-O 2.93Å; L404-K423 HydrophobicContact CD2-CB 4.41Å; L404-K423 HydrophobicContact CD2-CG 4.35Å; L404-K423 HydrophobicContact CG-CB 4.32Å
405	S	83.2	Confident	68.7	Low	7 Å²	7	43.3 Å²	43.3	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	150.9	-174.8	-179.2	0	0	0	0	110.6	I25 L421	I25-S405 VanDerWaalsContact CG1-OG 3.22Å; I25-S405 WeakPolarHBondContact CG1-OG 3.37Å; I25-S405 PolarHBondContact N-OG 3.47Å; I25-S405 PolarHBondContact O-OG 2.95Å; S405-L421 PolarHBondContact O-N 3.07Å
406	L	86.9	Confident	70.3	Confident	15 Å²	15	42.1 Å²	42.1	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.3	-176	-129.5	88.3	0	0	0	109.7	L338 F348 V355 V403 L418 I419 L420	L338-L406 HydrophobicContact CB-CD2 4.41Å; L338-L406 HydrophobicContact CD2-CB 4.23Å; L338-L406 HydrophobicContact CD2-CD2 3.78Å; L338-L406 HydrophobicContact CD2-CG 4.32Å; F348-L406 HydrophobicContact CB-CD2 3.78Å; F348-L406 HydrophobicContact CG-CD2 4.33Å; V355-L406 HydrophobicContact CG1-CD1 4.36Å; V355-L406 HydrophobicContact CG1-CD2 4.24Å; V355-L406 HydrophobicContact CG2-CD1 3.9Å; V403-L406 HydrophobicContact CG1-CD1 3.55Å; L406-L418 HydrophobicContact CD2-CD1 3.73Å; L406-L418 HydrophobicContact CD2-CG 4.47Å; L406-L418 HydrophobicContact CG-CD1 4.14Å; L406-I419 WeakPolarHBondContact CA-O 3.43Å; L406-L420 HydrophobicContact CD1-CD2 3.12Å; L406-L420 HydrophobicContact CG-CD2 3.75Å
407	A	87	Confident	72	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.033	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.4	166.9	0	0	0	0	0	110.8	I25 A27 I419	I25-A407 HydrophobicContact CD1-CB 3.97Å; I25-A407 HydrophobicContact CG1-CB 4.23Å; A27-A407 HydrophobicContact CB-CB 3.75Å; A407-I419 HydrophobicContact CB-CB 4.46Å; A407-I419 PolarHBondContact N-O 3.47Å; A407-I419 PolarHBondContact O-N 2.8Å
408	C	86.4	Confident	73.9	Confident	10 Å²	10	32.8 Å²	32.8	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.3	177.8	-169.5	0	0	0	0	107.7	L338 D340 R417	L338-C408 HydrophobicContact CD1-CB 4.42Å; L338-C408 HydrophobicContact CD2-CB 3.64Å; L338-C408 HydrophobicContact CG-CB 4.03Å; D340-C408 PolarHBondContact OD1-SG 2.96Å; C408-R417 WeakPolarHBondContact CA-O 3.47Å
409	I	82.6	Confident	75.5	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112	175.9	-73.7	-174.6	0	0	0	108.8	A27 S29 I47 S416 R417 I419	A27-I409 HydrophobicContact CB-CD1 3.81Å; A27-I409 HydrophobicContact CB-CG1 3.39Å; S29-I409 WeakPolarHBondContact O-CG2 3.47Å; I47-I409 HydrophobicContact CB-CD1 4.22Å; I47-I409 HydrophobicContact CD1-CD1 3.62Å; I47-I409 HydrophobicContact CG1-CD1 4.22Å; I409-S416 CarbonylContact O-C 3.52Å; I409-S416 WeakPolarHBondContact O-CA 3.3Å; I409-R417 PolarHBondContact N-O 3.45Å; I409-R417 PolarHBondContact O-N 2.84Å; I409-I419 HydrophobicContact CD1-CD1 3.45Å; I409-I419 VanDerWaalsContact CD1-CD1 3.45Å; I409-I419 HydrophobicContact CG1-CD1 3.92Å
410	P	76.8	Confident	77	Confident	23 Å²	23	28.2 Å²	28.2	15%	0.149	16%	0.155	C	C	.	.			trans	-64.5	134.9	169.3	24	-29.2	0	0	0	110	P341 H342	P341-P410 HydrophobicContact CB-CB 4.2Å; P341-P410 HydrophobicContact CB-CG 4.12Å; P341-P410 HydrophobicContact CG-CB 4.41Å; P341-P410 HydrophobicContact CG-CG 4.01Å; H342-P410 WeakPolarHBondContact CE1-CB 3.41Å; H342-P410 VanDerWaalsContact ND1-CB 3.31Å; H342-P410 WeakPolarHBondContact ND1-CB 3.38Å
411	H	73	Confident	78.3	Confident	9 Å²	9	22.4 Å²	22.4	4%	0.042	13%	0.129	C	C	.	.			trans	-100.1	123.3	176.8	-168.4	-84.2	0	0	0	110.2	E49 H342 L413 G414 P415 R417	E49-H411 VanDerWaalsContact CD-CE1 3.42Å; E49-H411 VanDerWaalsContact CD-NE2 3.3Å; E49-H411 VanDerWaalsContact CG-NE2 3.28Å; E49-H411 WeakPolarHBondContact CG-NE2 3.48Å; E49-H411 IonicContact OE1-CE1 2.86Å; E49-H411 PolarHBondContact OE1-CE1 2.9Å; E49-H411 IonicContact OE1-ND1 3.92Å; E49-H411 IonicContact OE1-NE2 3.08Å; E49-H411 PolarHBondContact OE1-NE2 2.86Å; E49-H411 VanDerWaalsContact OE1-NE2 3.08Å; H342-H411 PolarHBondContact CD2-O 3.09Å; H342-H411 PolarHBondContact NE2-O 2.94Å; H342-H411 VanDerWaalsContact NE2-O 3.12Å; H411-L413 PolarHBondContact ND1-N 2.83Å; H411-L413 PolarHBondContact O-N 2.75Å; H411-G414 WeakPolarHBondContact ND1-CA 3.5Å; H411-G414 PolarHBondContact ND1-N 2.89Å; H411-G414 PolarHBondContact O-N 2.84Å; H411-G414 VanDerWaalsContact O-N 3.1Å; H411-G414 VanDerWaalsContact O-O 3.12Å; H411-P415 WeakPolarHBondContact CB-O 3.15Å; H411-R417 PolarHBondContact CD2-NH2 2.85Å; H411-R417 PolarHBondContact NE2-NH2 3.17Å
412	P	66.8	Low	79.1	Confident	86 Å²	86	22.4 Å²	22.4	56%	0.558	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.4	-169.4	19.9	-31.3	0	0	0	114.3
413	L	64.1	Low	79.3	Confident	155 Å²	155	26.3 Å²	26.3	81%	0.812	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.6	3.3	180	-64.1	170.7	0	0	0	113.1	H411	H411-L413 PolarHBondContact ND1-N 2.83Å; H411-L413 PolarHBondContact O-N 2.75Å
414	G	67.7	Low	78.9	Confident	8 Å²	8	31 Å²	31	8%	0.082	17%	0.169	C	C	.	.	S	Bend	trans	-146.1	-176.1	-159.7	0	0	0	0	0	114.1	H411 K434	H411-G414 WeakPolarHBondContact ND1-CA 3.5Å; H411-G414 PolarHBondContact ND1-N 2.89Å; H411-G414 PolarHBondContact O-N 2.84Å; H411-G414 VanDerWaalsContact O-N 3.1Å; H411-G414 VanDerWaalsContact O-O 3.12Å; G414-K434 WeakPolarHBondContact O-CE 3.37Å
415	P	71.8	Confident	78.3	Confident	28 Å²	28	31.7 Å²	31.7	18%	0.182	17%	0.17	C	C	.	.			trans	-64	140.5	171.1	21.7	-30	0	0	0	112.1	H411 Q431 L432 K434	H411-P415 WeakPolarHBondContact CB-O 3.15Å; P415-Q431 HydrophobicContact CB-CG 4.09Å; P415-Q431 HydrophobicContact CG-CG 3.55Å; P415-L432 WeakPolarHBondContact CB-O 3.35Å; P415-K434 HydrophobicContact CB-CG 4.14Å
416	S	82.3	Confident	77.8	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.173	C	C	.	.			trans	-54.8	152.5	168.8	-58.8	0	0	0	0	111.6	D340 H342 I409 L432	D340-S416 VanDerWaalsContact OD1-CB 3.27Å; D340-S416 WeakPolarHBondContact OD1-CB 3.3Å; D340-S416 PolarHBondContact OD1-OG 2.82Å; D340-S416 PolarHBondContact OD2-OG 2.85Å; H342-S416 WeakPolarHBondContact CB-OG 3.48Å; I409-S416 CarbonylContact O-C 3.52Å; I409-S416 WeakPolarHBondContact O-CA 3.3Å; S416-L432 VanDerWaalsContact O-CB 3.26Å; S416-L432 WeakPolarHBondContact O-CB 3.27Å; S416-L432 PolarHBondContact O-N 3.43Å
417	R	83.1	Confident	77.2	Confident	24 Å²	24	31.6 Å²	31.6	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126	177.2	-64.5	179.3	-178.8	135.2	9	109.4	E49 C408 I409 H411 I429 L430	E49-R417 VanDerWaalsContact CG-NH2 3.33Å; C408-R417 WeakPolarHBondContact CA-O 3.47Å; I409-R417 PolarHBondContact N-O 3.45Å; I409-R417 PolarHBondContact O-N 2.84Å; H411-R417 PolarHBondContact CD2-NH2 2.85Å; H411-R417 PolarHBondContact NE2-NH2 3.17Å; R417-I429 HydrophobicContact CB-CG2 4.2Å; R417-L430 CarbonylContact C-O 3.49Å; R417-L430 WeakPolarHBondContact CA-O 3.38Å
418	L	86.3	Confident	76.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.7	170.3	-168.7	66.9	0	0	0	109.2	L338 F348 V355 I389 L406 L420 I429 L430 L432	L338-L418 HydrophobicContact CD2-CD1 3.96Å; F348-L418 HydrophobicContact CD1-CD1 4.41Å; F348-L418 HydrophobicContact CD1-CD2 4.09Å; F348-L418 HydrophobicContact CD2-CD1 3.88Å; F348-L418 HydrophobicContact CE1-CD2 4.24Å; F348-L418 HydrophobicContact CE2-CD1 3.99Å; F348-L418 HydrophobicContact CG-CD1 4.11Å; F348-L418 HydrophobicContact CG-CD2 4.47Å; F348-L418 HydrophobicContact CZ-CD1 4.32Å; V355-L418 HydrophobicContact CG1-CD2 4.3Å; I389-L418 HydrophobicContact CG2-CD2 4.28Å; L406-L418 HydrophobicContact CD2-CD1 3.73Å; L406-L418 HydrophobicContact CD2-CG 4.47Å; L406-L418 HydrophobicContact CG-CD1 4.14Å; L418-L420 HydrophobicContact CD2-CD2 4.02Å; L418-L420 HydrophobicContact CG-CD2 4.11Å; L418-L420 HydrophobicContact CG-CG 4.45Å; L418-I429 WeakPolarHBondContact O-CA 3.04Å; L418-L430 HydrophobicContact CB-CB 4.38Å; L418-L430 PolarHBondContact N-O 3.38Å; L418-L430 PolarHBondContact O-N 3.07Å; L418-L432 HydrophobicContact CB-CD1 3.98Å; L418-L432 HydrophobicContact CB-CD2 3.86Å; L418-L432 HydrophobicContact CB-CG 3.89Å; L418-L432 HydrophobicContact CD2-CD2 4.32Å
419	I	86.3	Confident	76.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	179.1	-55.4	175.5	0	0	0	107.7	I25 L32 I47 L406 A407 I409 L427 I429	I25-I419 HydrophobicContact CD1-CB 4.14Å; I25-I419 HydrophobicContact CD1-CG2 3.66Å; L32-I419 HydrophobicContact CD1-CD1 3.95Å; L32-I419 HydrophobicContact CD1-CG2 4.47Å; L32-I419 HydrophobicContact CD2-CD1 4.33Å; L32-I419 HydrophobicContact CD2-CG2 4.47Å; I47-I419 HydrophobicContact CD1-CD1 3.41Å; I47-I419 VanDerWaalsContact CD1-CD1 3.41Å; L406-I419 WeakPolarHBondContact CA-O 3.43Å; A407-I419 HydrophobicContact CB-CB 4.46Å; A407-I419 PolarHBondContact N-O 3.47Å; A407-I419 PolarHBondContact O-N 2.8Å; I409-I419 HydrophobicContact CD1-CD1 3.45Å; I409-I419 VanDerWaalsContact CD1-CD1 3.45Å; I409-I419 HydrophobicContact CG1-CD1 3.92Å; I419-L427 HydrophobicContact CG2-CD1 3.64Å; I419-L427 HydrophobicContact CG2-CD2 4.12Å; I419-L427 HydrophobicContact CG2-CG 3.91Å; I419-I429 HydrophobicContact CG1-CG1 4.35Å; I419-I429 HydrophobicContact CG1-CG2 4.42Å; I419-I429 HydrophobicContact CG2-CG1 4.46Å
420	L	85.4	Confident	76.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.4	-177.2	-56.6	170.8	0	0	0	108.2	V355 F390 V403 L406 L418 L422 L428 L430	V355-L420 HydrophobicContact CG2-CD2 3.83Å; F390-L420 HydrophobicContact CB-CD1 3.95Å; F390-L420 HydrophobicContact CD2-CD1 4.32Å; F390-L420 HydrophobicContact CG-CD1 4.02Å; V403-L420 HydrophobicContact CG1-CD2 4.44Å; L406-L420 HydrophobicContact CD1-CD2 3.12Å; L406-L420 HydrophobicContact CG-CD2 3.75Å; L418-L420 HydrophobicContact CD2-CD2 4.02Å; L418-L420 HydrophobicContact CG-CD2 4.11Å; L418-L420 HydrophobicContact CG-CG 4.45Å; L420-L422 HydrophobicContact CB-CD2 4.41Å; L420-L428 HydrophobicContact CB-CB 4.18Å; L420-L428 HydrophobicContact CD1-CD2 3.89Å; L420-L428 HydrophobicContact CD1-CG 4.33Å; L420-L428 PolarHBondContact N-O 3.49Å; L420-L428 PolarHBondContact O-N 2.86Å; L420-L430 HydrophobicContact CD1-CD1 3.49Å; L420-L430 VanDerWaalsContact CD1-CD1 3.49Å; L420-L430 HydrophobicContact CD1-CG 4.11Å
421	L	83.6	Confident	76.7	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.6	166.9	-179.3	66.4	0	0	0	108.6	C22 E23 I25 V403 L404 S405	C22-L421 HydrophobicContact CB-CD1 4.4Å; C22-L421 HydrophobicContact CB-CD2 4.45Å; C22-L421 WeakPolarHBondContact O-CD2 3.27Å; E23-L421 VanDerWaalsContact C-CD2 3.41Å; E23-L421 WeakPolarHBondContact O-CD2 3.26Å; I25-L421 HydrophobicContact CD1-CB 4.1Å; I25-L421 HydrophobicContact CG1-CB 4.27Å; I25-L421 HydrophobicContact CG2-CB 4.36Å; I25-L421 HydrophobicContact CG2-CD2 4.28Å; V403-L421 CarbonylContact C-O 3.46Å; V403-L421 WeakPolarHBondContact CA-O 3.44Å; L404-L421 HydrophobicContact CB-CD2 4.21Å; L404-L421 HydrophobicContact CB-CG 4.28Å; L404-L421 HydrophobicContact CD1-CD2 4.43Å; L404-L421 HydrophobicContact CD1-CG 4.44Å; L404-L421 PolarHBondContact N-O 2.93Å; S405-L421 PolarHBondContact O-N 3.07Å
422	L	80.1	Confident	77	Confident	23 Å²	23	41.6 Å²	41.6	12%	0.12	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	157.3	-177.6	-59.2	179.9	0	0	0	111.5	F390 P402 V403 L420 D424 K425 G426 L428	F390-L422 HydrophobicContact CE1-CD2 3.85Å; F390-L422 HydrophobicContact CE2-CD2 4.47Å; F390-L422 HydrophobicContact CZ-CD1 4.38Å; F390-L422 HydrophobicContact CZ-CD2 3.72Å; P402-L422 CarbonylContact O-C 3.49Å; P402-L422 VanDerWaalsContact O-CA 3.29Å; P402-L422 WeakPolarHBondContact O-CA 3.49Å; V403-L422 HydrophobicContact CG2-CD2 3.99Å; L420-L422 HydrophobicContact CB-CD2 4.41Å; L422-D424 VanDerWaalsContact C-N 3.31Å; L422-D424 WeakPolarHBondContact CB-OD1 3.28Å; L422-D424 PolarHBondContact O-N 3.06Å; L422-K425 WeakPolarHBondContact O-CA 3.38Å; L422-K425 PolarHBondContact O-N 2.9Å; L422-G426 WeakPolarHBondContact CB-O 3.48Å; L422-G426 PolarHBondContact N-O 3.04Å; L422-L428 HydrophobicContact CD1-CB 4.27Å
423	K	73.9	Confident	77.1	Confident	90 Å²	90	40.6 Å²	40.6	39%	0.391	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.8	-178.6	-172.4	-175.6	172	-154.6	0	113.7	K400 P402 L404 K425	K400-K423 HydrophobicContact CB-CD 4.41Å; P402-K423 PolarHBondContact O-N 2.86Å; L404-K423 HydrophobicContact CD2-CB 4.41Å; L404-K423 HydrophobicContact CD2-CG 4.35Å; L404-K423 HydrophobicContact CG-CB 4.32Å; K423-K425 PolarHBondContact O-N 2.58Å
424	D	71	Confident	76.9	Confident	105 Å²	105	39.3 Å²	39.3	56%	0.561	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	5.7	167.3	71.7	-18	0	0	0	112.4	L422 G426	L422-D424 VanDerWaalsContact C-N 3.31Å; L422-D424 WeakPolarHBondContact CB-OD1 3.28Å; L422-D424 PolarHBondContact O-N 3.06Å; D424-G426 PolarHBondContact O-N 3.31Å; D424-G426 PolarHBondContact OD1-N 3.16Å; D424-G426 VanDerWaalsContact OD1-N 3.13Å
425	K	65.9	Low	76.2	Confident	73 Å²	73	45.1 Å²	45.1	32%	0.317	22%	0.218	S	C	.	.	S	Bend	trans	62.8	24	179.9	-46.5	-164.1	-175.6	-169.8	0	112.5	K21 L422 K423	K21-K425 HydrophobicContact CB-CD 4.2Å; K21-K425 HydrophobicContact CG-CD 4.5Å; L422-K425 WeakPolarHBondContact O-CA 3.38Å; L422-K425 PolarHBondContact O-N 2.9Å; K423-K425 PolarHBondContact O-N 2.58Å
426	G	71.6	Confident	74.9	Confident	11 Å²	11	47.2 Å²	47.2	11%	0.113	23%	0.226	C	C	.	.			trans	-84.4	148.2	166.5	0	0	0	0	0	112	L422 D424	L422-G426 WeakPolarHBondContact CB-O 3.48Å; L422-G426 PolarHBondContact N-O 3.04Å; D424-G426 PolarHBondContact O-N 3.31Å; D424-G426 PolarHBondContact OD1-N 3.16Å; D424-G426 VanDerWaalsContact OD1-N 3.13Å
427	L	75.8	Confident	73.1	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	170.7	-164.9	97.3	0	0	0	108.9	V17 F19 L32 I419 I429	V17-L427 HydrophobicContact CB-CD2 4.48Å; F19-L427 HydrophobicContact CD2-CD2 4.19Å; L32-L427 HydrophobicContact CD2-CD1 4.41Å; I419-L427 HydrophobicContact CG2-CD1 3.64Å; I419-L427 HydrophobicContact CG2-CD2 4.12Å; I419-L427 HydrophobicContact CG2-CG 3.91Å; L427-I429 HydrophobicContact CD2-CD1 3.78Å; L427-I429 HydrophobicContact CD2-CG1 3.72Å; L427-I429 HydrophobicContact CG-CG1 4.45Å
428	L	79.2	Confident	71.1	Confident	43 Å²	43	55.8 Å²	55.8	23%	0.225	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124	173	179.1	66.7	0	0	0	108.8	F390 L420 L422 L430	F390-L428 HydrophobicContact CD2-CD2 3.6Å; F390-L428 HydrophobicContact CE2-CD2 3.61Å; L420-L428 HydrophobicContact CB-CB 4.18Å; L420-L428 HydrophobicContact CD1-CD2 3.89Å; L420-L428 HydrophobicContact CD1-CG 4.33Å; L420-L428 PolarHBondContact N-O 3.49Å; L420-L428 PolarHBondContact O-N 2.86Å; L422-L428 HydrophobicContact CD1-CB 4.27Å; L428-L430 HydrophobicContact CD1-CD2 4.08Å; L428-L430 HydrophobicContact CD2-CD1 4.37Å; L428-L430 HydrophobicContact CD2-CD2 4.04Å; L428-L430 HydrophobicContact CD2-CG 4.29Å; L428-L430 HydrophobicContact CG-CD2 3.88Å; L428-L430 HydrophobicContact CG-CG 4.1Å
429	I	81.2	Confident	68.9	Low	39 Å²	39	60 Å²	60	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.3	177.6	-55.5	178.8	0	0	0	107.3	I52 R417 L418 I419 L427	I52-I429 HydrophobicContact CD1-CD1 4.13Å; I52-I429 HydrophobicContact CD1-CG2 4.47Å; I52-I429 HydrophobicContact CG1-CD1 4.41Å; I52-I429 HydrophobicContact CG2-CD1 4.06Å; R417-I429 HydrophobicContact CB-CG2 4.2Å; L418-I429 WeakPolarHBondContact O-CA 3.04Å; I419-I429 HydrophobicContact CG1-CG1 4.35Å; I419-I429 HydrophobicContact CG1-CG2 4.42Å; I419-I429 HydrophobicContact CG2-CG1 4.46Å; L427-I429 HydrophobicContact CD2-CD1 3.78Å; L427-I429 HydrophobicContact CD2-CG1 3.72Å; L427-I429 HydrophobicContact CG-CG1 4.45Å
430	L	81.2	Confident	66.7	Low	41 Å²	41	66.5 Å²	66.5	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129	178.9	-59.2	180	0	0	0	109.3	I389 F390 R417 L418 L420 L428 L432	I389-L430 HydrophobicContact CG2-CD1 3.54Å; F390-L430 HydrophobicContact CB-CD1 4.39Å; R417-L430 CarbonylContact C-O 3.49Å; R417-L430 WeakPolarHBondContact CA-O 3.38Å; L418-L430 HydrophobicContact CB-CB 4.38Å; L418-L430 PolarHBondContact N-O 3.38Å; L418-L430 PolarHBondContact O-N 3.07Å; L420-L430 HydrophobicContact CD1-CD1 3.49Å; L420-L430 VanDerWaalsContact CD1-CD1 3.49Å; L420-L430 HydrophobicContact CD1-CG 4.11Å; L428-L430 HydrophobicContact CD1-CD2 4.08Å; L428-L430 HydrophobicContact CD2-CD1 4.37Å; L428-L430 HydrophobicContact CD2-CD2 4.04Å; L428-L430 HydrophobicContact CD2-CG 4.29Å; L428-L430 HydrophobicContact CG-CD2 3.88Å; L428-L430 HydrophobicContact CG-CG 4.1Å; L430-L432 PolarHBondContact O-N 3.22Å
431	Q	80.7	Confident	64.6	Low	134 Å²	134	68.7 Å²	68.7	63%	0.626	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.5	171.1	-168.4	167.4	-6.3	0	0	107.7	P415	P415-Q431 HydrophobicContact CB-CG 4.09Å; P415-Q431 HydrophobicContact CG-CG 3.55Å
432	L	79	Confident	62.5	Low	1 Å²	1	74.1 Å²	74.1	1%	0.005	36%	0.355	C	S	.	.			trans	-76.5	127.3	-178.5	-65.9	166.6	0	0	0	108.3	F348 I389 P415 S416 L418 L430 K434	F348-L432 HydrophobicContact CE1-CD1 4.31Å; F348-L432 HydrophobicContact CE1-CD2 3.82Å; F348-L432 HydrophobicContact CE2-CD1 4.21Å; F348-L432 HydrophobicContact CZ-CD1 3.52Å; F348-L432 HydrophobicContact CZ-CD2 3.9Å; F348-L432 HydrophobicContact CZ-CG 4.36Å; I389-L432 HydrophobicContact CD1-CD2 3.51Å; P415-L432 WeakPolarHBondContact CB-O 3.35Å; S416-L432 VanDerWaalsContact O-CB 3.26Å; S416-L432 WeakPolarHBondContact O-CB 3.27Å; S416-L432 PolarHBondContact O-N 3.43Å; L418-L432 HydrophobicContact CB-CD1 3.98Å; L418-L432 HydrophobicContact CB-CD2 3.86Å; L418-L432 HydrophobicContact CB-CG 3.89Å; L418-L432 HydrophobicContact CD2-CD2 4.32Å; L430-L432 PolarHBondContact O-N 3.22Å; L432-K434 PolarHBondContact O-N 3.37Å
433	P	68.2	Low	60.9	Low	65 Å²	65	81.5 Å²	81.5	42%	0.422	39%	0.386	S	S	.	.			trans	-57.1	133.2	178.1	22.3	-30.6	0	0	0	109.6	R435	P433-R435 HydrophobicContact CB-CG 4.44Å; P433-R435 PolarHBondContact O-N 2.97Å
434	K	60.2	Low	59.7	Low	128 Å²	128	85 Å²	85	56%	0.557	40%	0.403	S	S	*	.			trans	-68.4	90	158.4	-90.3	-174.7	172.8	-179.8	0	104.9	G414 P415 L432 H436	G414-K434 WeakPolarHBondContact O-CE 3.37Å; P415-K434 HydrophobicContact CB-CG 4.14Å; L432-K434 PolarHBondContact O-N 3.37Å; K434-H436 PolarHBondContact O-N 3.14Å; K434-H436 PolarHBondContact O-ND1 2.77Å
435	R	53.9	Low	58.5	Low	130 Å²	130	84.5 Å²	84.5	49%	0.491	40%	0.401	S	S	.	.			trans	-77.9	110.7	162.7	-78.8	-165	173.9	141.7	-6.3	105.5	P433 Q437	P433-R435 HydrophobicContact CB-CG 4.44Å; P433-R435 PolarHBondContact O-N 2.97Å; R435-Q437 PolarHBondContact O-N 3.41Å
436	H	44.5	Very low	57.7	Low	73 Å²	73	82.1 Å²	82.1	34%	0.338	39%	0.391	S	S	.	.			trans	-49.7	105.1	-177.2	-54.1	64.1	0	0	0	108.4	K434 L438 F510 N511	K434-H436 PolarHBondContact O-N 3.14Å; K434-H436 PolarHBondContact O-ND1 2.77Å; H436-L438 PolarHBondContact O-N 2.87Å; H436-F510 HydrophobicContact CB-CD1 4.06Å; H436-F510 HydrophobicContact CB-CE1 3.14Å; H436-F510 HydrophobicContact CB-CE2 4.38Å; H436-F510 HydrophobicContact CB-CZ 3.34Å; H436-F510 AromaticContact CD2-CD1 3.36Å; H436-F510 WeakPolarHBondContact CD2-CD1 3.12Å; H436-F510 AromaticContact CD2-CE1 3.15Å; H436-F510 WeakPolarHBondContact CD2-CE1 3.26Å; H436-F510 AromaticContact CE1-CD1 3.61Å; H436-F510 AromaticContact CG-CD1 3.48Å; H436-F510 VanDerWaalsContact CG-CD1 3.48Å; H436-F510 AromaticContact CG-CE1 3.05Å; H436-F510 AromaticContact CG-CZ 3.75Å; H436-F510 AromaticContact ND1-CD1 3.66Å; H436-F510 AromaticContact ND1-CE1 3.67Å; H436-F510 AromaticContact NE2-CD1 3.43Å; H436-F510 WeakPolarHBondContact NE2-CD1 3.39Å; H436-F510 AromaticContact NE2-CE1 3.75Å; H436-N511 PolarHBondContact NE2-OD1 3.34Å
437	Q	43.1	Very low	56.6	Low	77 Å²	77	88.4 Å²	88.4	36%	0.36	42%	0.422	S	S	.	.			trans	-55.5	133.3	152.7	-70.3	179.6	-4.4	0	0	105.1	D343 L345 R435 I439	D343-Q437 PolarHBondContact OD1-NE2 3.02Å; L345-Q437 HydrophobicContact CD1-CG 4.4Å; R435-Q437 PolarHBondContact O-N 3.41Å; Q437-I439 VanDerWaalsContact C-N 3.3Å; Q437-I439 PolarHBondContact O-N 3.34Å
438	L	41.1	Very low	55.4	Low	128 Å²	128	95.2 Å²	95.2	67%	0.67	46%	0.458	S	S	*	.			trans	-44.1	104.8	161.7	-85.1	131.4	0	0	0	106.4	H436 R440 M517	H436-L438 PolarHBondContact O-N 2.87Å; L438-R440 PolarHBondContact O-N 3.48Å; L438-M517 HydrophobicContact CD2-CE 3.6Å; L438-M517 HydrophobicContact CD2-SD 3.18Å; L438-M517 WeakPolarHBondContact CD2-SD 3.48Å; L438-M517 HydrophobicContact CG-CE 4.45Å; L438-M517 HydrophobicContact CG-SD 4.37Å
439	I	40.9	Very low	53.8	Low	88 Å²	88	96.9 Å²	96.9	45%	0.451	47%	0.467	S	S	.	.			trans	-58.8	114.6	-175.7	-65.3	164.1	0	0	0	104.9	Q437 F441	Q437-I439 VanDerWaalsContact C-N 3.3Å; Q437-I439 PolarHBondContact O-N 3.34Å; I439-F441 HydrophobicContact CB-CE1 4.03Å; I439-F441 HydrophobicContact CB-CE2 3.94Å; I439-F441 HydrophobicContact CB-CZ 3.52Å; I439-F441 HydrophobicContact CD1-CZ 4.29Å; I439-F441 HydrophobicContact CG2-CD1 3.9Å; I439-F441 HydrophobicContact CG2-CD2 4.49Å; I439-F441 HydrophobicContact CG2-CE1 3.38Å; I439-F441 HydrophobicContact CG2-CE2 4.05Å; I439-F441 HydrophobicContact CG2-CG 4.39Å; I439-F441 HydrophobicContact CG2-CZ 3.44Å; I439-F441 VanDerWaalsContact CG2-CZ 3.44Å; I439-F441 VanDerWaalsContact O-CD2 3.24Å; I439-F441 WeakPolarHBondContact O-CD2 3.5Å; I439-F441 WeakPolarHBondContact O-CE2 3.43Å; I439-F441 PolarHBondContact O-N 3.45Å
440	R	40.8	Very low	52	Low	138 Å²	138	102 Å²	102	52%	0.521	50%	0.495	S	S	.	.			trans	-71.1	111.9	166.9	-78.7	-174.4	175.6	178.5	-0.3	105.3	S364 L438	S364-R440 PolarHBondContact O-NH2 3.25Å; L438-R440 PolarHBondContact O-N 3.48Å
441	F	40.6	Very low	50.4	Low	45 Å²	45	102.2 Å²	102.2	20%	0.197	50%	0.496	C	S	.	.			trans	-81.3	120.9	171.8	-61.3	-75.5	0	0	0	107.4	I439 L446 L518	I439-F441 HydrophobicContact CB-CE1 4.03Å; I439-F441 HydrophobicContact CB-CE2 3.94Å; I439-F441 HydrophobicContact CB-CZ 3.52Å; I439-F441 HydrophobicContact CD1-CZ 4.29Å; I439-F441 HydrophobicContact CG2-CD1 3.9Å; I439-F441 HydrophobicContact CG2-CD2 4.49Å; I439-F441 HydrophobicContact CG2-CE1 3.38Å; I439-F441 HydrophobicContact CG2-CE2 4.05Å; I439-F441 HydrophobicContact CG2-CG 4.39Å; I439-F441 HydrophobicContact CG2-CZ 3.44Å; I439-F441 VanDerWaalsContact CG2-CZ 3.44Å; I439-F441 VanDerWaalsContact O-CD2 3.24Å; I439-F441 WeakPolarHBondContact O-CD2 3.5Å; I439-F441 WeakPolarHBondContact O-CE2 3.43Å; I439-F441 PolarHBondContact O-N 3.45Å; F441-L446 HydrophobicContact CB-CD1 4.24Å; F441-L446 HydrophobicContact CB-CG 4.36Å; F441-L518 HydrophobicContact CD1-CD1 4.18Å; F441-L518 HydrophobicContact CD1-CG 4.17Å; F441-L518 HydrophobicContact CD2-CG 4.09Å; F441-L518 HydrophobicContact CE1-CD1 3.23Å; F441-L518 HydrophobicContact CE1-CD2 4.35Å; F441-L518 HydrophobicContact CE1-CG 3.62Å; F441-L518 HydrophobicContact CE2-CB 4.16Å; F441-L518 HydrophobicContact CE2-CD1 3.85Å; F441-L518 HydrophobicContact CE2-CG 3.53Å; F441-L518 HydrophobicContact CG-CG 4.41Å; F441-L518 HydrophobicContact CZ-CB 4.16Å; F441-L518 HydrophobicContact CZ-CD1 3.05Å; F441-L518 HydrophobicContact CZ-CD2 4.44Å; F441-L518 HydrophobicContact CZ-CG 3.29Å
442	D	40.4	Very low	48.6	Very low	116 Å²	116	100.9 Å²	100.9	62%	0.62	50%	0.501	S	S	*	.			trans	-69.5	151.6	167.3	-73.9	-33	0	0	0	108.6	E444 D445	D442-E444 PolarHBondContact O-N 3.11Å; D442-D445 PolarHBondContact O-N 3.07Å
443	K	44.9	Very low	47	Very low	177 Å²	177	104.8 Å²	104.8	77%	0.77	53%	0.525	S	S	*	.	H	α-helix	trans	-51.9	-29.6	-178	-95.1	-177.5	172.5	-178.7	0	112.8	L446	K443-L446 PolarHBondContact O-N 3.37Å
444	E	49.1	Very low	45.8	Very low	164 Å²	164	107.3 Å²	107.3	77%	0.766	54%	0.544	S	S	*	.	H	α-helix	trans	-72.2	-30.6	-177.5	-63.8	174.9	175.6	0	0	113	D442 L446	D442-E444 PolarHBondContact O-N 3.11Å; E444-L446 VanDerWaalsContact C-N 3.27Å; E444-L446 PolarHBondContact O-N 3.38Å
445	D	46.1	Very low	45.2	Very low	94 Å²	94	107.7 Å²	107.7	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-74.7	-20.4	177.4	-72.5	-31.8	0	0	0	112.4	D442	D442-D445 PolarHBondContact O-N 3.07Å
446	L	49	Very low	45	Very low	23 Å²	23	108.2 Å²	108.2	12%	0.12	56%	0.555	C	S	.	*	H	α-helix	trans	-79.2	-26.3	-176.3	-82.2	151.3	0	0	0	113.3	F441 K443 E444 L448 V522	F441-L446 HydrophobicContact CB-CD1 4.24Å; F441-L446 HydrophobicContact CB-CG 4.36Å; K443-L446 PolarHBondContact O-N 3.37Å; E444-L446 VanDerWaalsContact C-N 3.27Å; E444-L446 PolarHBondContact O-N 3.38Å; L446-L448 VanDerWaalsContact C-N 3.35Å; L446-V522 HydrophobicContact CD2-CB 3.91Å; L446-V522 HydrophobicContact CD2-CG1 4.25Å; L446-V522 HydrophobicContact CD2-CG2 3.28Å
447	D	49.2	Very low	45.5	Very low	143 Å²	143	110.9 Å²	110.9	77%	0.765	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-16.4	-175	-74.3	-22.6	0	0	0	113.4
448	L	50	Low	45.9	Very low	153 Å²	153	108.9 Å²	108.9	80%	0.801	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-6.8	-178.2	-72.2	168.3	0	0	0	114.6	L446	L446-L448 VanDerWaalsContact C-N 3.35Å
449	L	45.1	Very low	46.4	Very low	78 Å²	78	108 Å²	108	41%	0.408	56%	0.56	S	S	.	*			trans	-100.2	98.2	-173.4	-89.6	151.6	0	0	0	112	I451 L518	L449-I451 HydrophobicContact CB-CD1 4.31Å; L449-I451 HydrophobicContact CB-CG1 4.16Å; L449-I451 HydrophobicContact CD2-CG1 4.48Å; L449-I451 PolarHBondContact O-N 3.01Å; L449-I451 VanDerWaalsContact O-N 3.08Å; L449-L518 HydrophobicContact CD1-CD2 3.81Å
450	D	43.7	Very low	47.1	Very low	146 Å²	146	106.6 Å²	106.6	78%	0.781	56%	0.558	S	S	*	*			trans	-80.7	82.9	174.5	-149.2	8.4	0	0	0	110.5	S452	D450-S452 PolarHBondContact O-N 3.06Å
451	I	47.9	Very low	47.8	Very low	46 Å²	46	106.4 Å²	106.4	24%	0.236	56%	0.563	C	S	.	*			trans	-90.6	86.2	-176.7	-50.5	170.4	0	0	0	109.3	L449 Q519 V522	L449-I451 HydrophobicContact CB-CD1 4.31Å; L449-I451 HydrophobicContact CB-CG1 4.16Å; L449-I451 HydrophobicContact CD2-CG1 4.48Å; L449-I451 PolarHBondContact O-N 3.01Å; L449-I451 VanDerWaalsContact O-N 3.08Å; I451-Q519 HydrophobicContact CD1-CB 4.35Å; I451-Q519 HydrophobicContact CD1-CG 4.21Å; I451-Q519 HydrophobicContact CG2-CG 4.17Å; I451-V522 HydrophobicContact CD1-CB 4.46Å; I451-V522 HydrophobicContact CD1-CG2 4.07Å
452	S	44	Very low	48.6	Very low	106 Å²	106	108.4 Å²	108.4	74%	0.741	58%	0.575	S	S	*	*			trans	-101.5	1.1	174.4	59.6	0	0	0	0	114.3	D450	D450-S452 PolarHBondContact O-N 3.06Å
453	T	44.6	Very low	49.2	Very low	82 Å²	82	103.2 Å²	103.2	50%	0.503	55%	0.548	S	S	.	.			trans	-91.4	115.4	178.8	52	0	0	0	0	111.7	W455	T453-W455 VanDerWaalsContact O-CD1 3.32Å; T453-W455 PolarHBondContact O-N 2.93Å; T453-W455 PolarHBondContact OG1-NE1 3.44Å; T453-W455 VanDerWaalsContact OG1-NE1 3.11Å
454	S	42.7	Very low	49.8	Very low	119 Å²	119	98.7 Å²	98.7	83%	0.832	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-64	118.1	161.4	57.4	0	0	0	0	108.9
455	W	48.6	Very low	50.3	Low	135 Å²	135	97.2 Å²	97.2	51%	0.511	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-97.1	121.1	173.6	-78.3	45.5	0	0	0	108.5	T453 Y459	T453-W455 VanDerWaalsContact O-CD1 3.32Å; T453-W455 PolarHBondContact O-N 2.93Å; T453-W455 PolarHBondContact OG1-NE1 3.44Å; T453-W455 VanDerWaalsContact OG1-NE1 3.11Å; W455-Y459 HydrophobicContact CD2-CD2 4.13Å; W455-Y459 AromaticContact CD2-CE2 3.96Å; W455-Y459 HydrophobicContact CD2-CE2 3.96Å; W455-Y459 AromaticContact CE3-CD1 3.76Å; W455-Y459 HydrophobicContact CE3-CD1 3.76Å; W455-Y459 AromaticContact CE3-CD2 3.26Å; W455-Y459 HydrophobicContact CE3-CD2 3.26Å; W455-Y459 AromaticContact CE3-CE1 3.77Å; W455-Y459 HydrophobicContact CE3-CE1 3.77Å; W455-Y459 AromaticContact CE3-CE2 3.25Å; W455-Y459 HydrophobicContact CE3-CE2 3.25Å; W455-Y459 AromaticContact CE3-CG 3.5Å; W455-Y459 HydrophobicContact CE3-CG 3.5Å; W455-Y459 VanDerWaalsContact CE3-CG 3.5Å; W455-Y459 AromaticContact CE3-CZ 3.49Å; W455-Y459 VanDerWaalsContact CE3-CZ 3.49Å; W455-Y459 HydrophobicContact CH2-CE1 4.01Å; W455-Y459 HydrophobicContact CH2-CE2 4.34Å; W455-Y459 AromaticContact CH2-CZ 3.8Å; W455-Y459 AromaticContact CZ3-CD1 3.48Å; W455-Y459 HydrophobicContact CZ3-CD1 3.48Å; W455-Y459 VanDerWaalsContact CZ3-CD1 3.48Å; W455-Y459 AromaticContact CZ3-CD2 3.8Å; W455-Y459 HydrophobicContact CZ3-CD2 3.8Å; W455-Y459 AromaticContact CZ3-CE1 3.17Å; W455-Y459 HydrophobicContact CZ3-CE1 3.17Å; W455-Y459 AromaticContact CZ3-CE2 3.5Å; W455-Y459 HydrophobicContact CZ3-CE2 3.5Å; W455-Y459 VanDerWaalsContact CZ3-CE2 3.5Å; W455-Y459 AromaticContact CZ3-CG 3.76Å; W455-Y459 HydrophobicContact CZ3-CG 3.76Å; W455-Y459 AromaticContact CZ3-CZ 3.15Å
456	D	48.6	Very low	50.7	Low	142 Å²	142	95.2 Å²	95.2	76%	0.759	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-61.1	147.2	177.1	-138.9	-4.1	0	0	0	110.7	G458 Y459	D456-G458 PolarHBondContact O-N 3.35Å; D456-Y459 PolarHBondContact O-N 3.15Å
457	D	55	Low	50.9	Low	129 Å²	129	98.2 Å²	98.2	69%	0.69	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-11.2	-174.7	-104.9	-22.1	0	0	0	114.7	Y459 S460	D457-Y459 VanDerWaalsContact C-N 3.26Å; D457-Y459 PolarHBondContact O-N 3.4Å; D457-S460 WeakPolarHBondContact O-CB 3.46Å; D457-S460 PolarHBondContact O-N 3.1Å
458	G	51.5	Low	51.3	Low	35 Å²	35	98.3 Å²	98.3	36%	0.361	52%	0.523	S	S	.	.	H	α-helix	trans	-60	-26.9	178.5	0	0	0	0	0	114.9	D456 Q461 I462	D456-G458 PolarHBondContact O-N 3.35Å; G458-Q461 PolarHBondContact O-N 2.98Å; G458-I462 PolarHBondContact O-N 3.44Å
459	Y	52.9	Low	51.2	Low	109 Å²	109	97.9 Å²	97.9	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-70.3	-33.8	178.6	-80.4	-84.1	0	0	0	113.3	W455 D456 D457 Q461 I462 A463	W455-Y459 HydrophobicContact CD2-CD2 4.13Å; W455-Y459 AromaticContact CD2-CE2 3.96Å; W455-Y459 HydrophobicContact CD2-CE2 3.96Å; W455-Y459 AromaticContact CE3-CD1 3.76Å; W455-Y459 HydrophobicContact CE3-CD1 3.76Å; W455-Y459 AromaticContact CE3-CD2 3.26Å; W455-Y459 HydrophobicContact CE3-CD2 3.26Å; W455-Y459 AromaticContact CE3-CE1 3.77Å; W455-Y459 HydrophobicContact CE3-CE1 3.77Å; W455-Y459 AromaticContact CE3-CE2 3.25Å; W455-Y459 HydrophobicContact CE3-CE2 3.25Å; W455-Y459 AromaticContact CE3-CG 3.5Å; W455-Y459 HydrophobicContact CE3-CG 3.5Å; W455-Y459 VanDerWaalsContact CE3-CG 3.5Å; W455-Y459 AromaticContact CE3-CZ 3.49Å; W455-Y459 VanDerWaalsContact CE3-CZ 3.49Å; W455-Y459 HydrophobicContact CH2-CE1 4.01Å; W455-Y459 HydrophobicContact CH2-CE2 4.34Å; W455-Y459 AromaticContact CH2-CZ 3.8Å; W455-Y459 AromaticContact CZ3-CD1 3.48Å; W455-Y459 HydrophobicContact CZ3-CD1 3.48Å; W455-Y459 VanDerWaalsContact CZ3-CD1 3.48Å; W455-Y459 AromaticContact CZ3-CD2 3.8Å; W455-Y459 HydrophobicContact CZ3-CD2 3.8Å; W455-Y459 AromaticContact CZ3-CE1 3.17Å; W455-Y459 HydrophobicContact CZ3-CE1 3.17Å; W455-Y459 AromaticContact CZ3-CE2 3.5Å; W455-Y459 HydrophobicContact CZ3-CE2 3.5Å; W455-Y459 VanDerWaalsContact CZ3-CE2 3.5Å; W455-Y459 AromaticContact CZ3-CG 3.76Å; W455-Y459 HydrophobicContact CZ3-CG 3.76Å; W455-Y459 AromaticContact CZ3-CZ 3.15Å; D456-Y459 PolarHBondContact O-N 3.15Å; D457-Y459 VanDerWaalsContact C-N 3.26Å; D457-Y459 PolarHBondContact O-N 3.4Å; Y459-Q461 VanDerWaalsContact C-N 3.28Å; Y459-Q461 PolarHBondContact O-N 3.31Å; Y459-I462 PolarHBondContact O-N 3.05Å; Y459-A463 PolarHBondContact O-N 2.94Å; Y459-A463 VanDerWaalsContact O-N 3.16Å
460	S	55.6	Low	51.4	Low	59 Å²	59	99.6 Å²	99.6	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-63.1	-38.2	173.1	-51.6	0	0	0	0	110.5	D457 A463 I464	D457-S460 WeakPolarHBondContact O-CB 3.46Å; D457-S460 PolarHBondContact O-N 3.1Å; S460-A463 PolarHBondContact O-N 3Å; S460-I464 WeakPolarHBondContact O-CB 3.48Å; S460-I464 WeakPolarHBondContact O-CD1 3.32Å; S460-I464 WeakPolarHBondContact O-CG1 3.33Å; S460-I464 PolarHBondContact O-N 3.26Å
461	Q	54.8	Low	51.2	Low	134 Å²	134	96.4 Å²	96.4	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-68.9	-34.3	177	-67.1	-172	8.6	0	0	113.2	G458 Y459 K465	G458-Q461 PolarHBondContact O-N 2.98Å; Y459-Q461 VanDerWaalsContact C-N 3.28Å; Y459-Q461 PolarHBondContact O-N 3.31Å; Q461-K465 VanDerWaalsContact O-CB 3.29Å; Q461-K465 WeakPolarHBondContact O-CB 3.29Å; Q461-K465 PolarHBondContact O-N 3.45Å
462	I	56.6	Low	50.9	Low	87 Å²	87	99.8 Å²	99.8	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-68.1	-43.3	175.8	-65.5	168.2	0	0	0	110.6	G458 Y459 K465 L466	G458-I462 PolarHBondContact O-N 3.44Å; Y459-I462 PolarHBondContact O-N 3.05Å; I462-K465 PolarHBondContact O-N 3Å; I462-L466 HydrophobicContact CG2-CD1 3.83Å; I462-L466 HydrophobicContact CG2-CG 4.48Å; I462-L466 WeakPolarHBondContact O-CB 2.8Å; I462-L466 WeakPolarHBondContact O-CD1 3.34Å; I462-L466 VanDerWaalsContact O-CG 3.29Å; I462-L466 WeakPolarHBondContact O-CG 3.34Å; I462-L466 PolarHBondContact O-N 3.14Å
463	A	53.8	Low	50.9	Low	6 Å²	6	101.5 Å²	101.5	5%	0.05	53%	0.528	C	S	.	.	H	α-helix	trans	-64	-42.8	175.5	0	0	0	0	0	111.6	Y459 S460 L466 L467	Y459-A463 PolarHBondContact O-N 2.94Å; Y459-A463 VanDerWaalsContact O-N 3.16Å; S460-A463 PolarHBondContact O-N 3Å; A463-L466 PolarHBondContact O-N 2.96Å; A463-L467 WeakPolarHBondContact O-CB 3.3Å; A463-L467 WeakPolarHBondContact O-CD1 3.35Å; A463-L467 VanDerWaalsContact O-CG 3.26Å; A463-L467 WeakPolarHBondContact O-CG 3.32Å; A463-L467 PolarHBondContact O-N 2.92Å
464	I	57.8	Low	50.8	Low	82 Å²	82	101.4 Å²	101.4	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.4	-69.8	165.8	0	0	0	110.9	S460 L467 Q468	S460-I464 WeakPolarHBondContact O-CB 3.48Å; S460-I464 WeakPolarHBondContact O-CD1 3.32Å; S460-I464 WeakPolarHBondContact O-CG1 3.33Å; S460-I464 PolarHBondContact O-N 3.26Å; I464-L467 CarbonylContact O-C 3.6Å; I464-L467 PolarHBondContact O-N 2.92Å; I464-Q468 HydrophobicContact CG2-CG 4Å; I464-Q468 VanDerWaalsContact CG2-NE2 3.34Å; I464-Q468 VanDerWaalsContact O-CB 3.26Å; I464-Q468 WeakPolarHBondContact O-CB 3.21Å; I464-Q468 VanDerWaalsContact O-CG 3.24Å; I464-Q468 WeakPolarHBondContact O-CG 3.46Å; I464-Q468 PolarHBondContact O-N 3.26Å
465	K	59.9	Low	50.8	Low	134 Å²	134	104.8 Å²	104.8	58%	0.583	53%	0.531	S	S	*	.	H	α-helix	trans	-60.9	-45	175.1	-97.3	-177.6	170.6	176.9	0	112.2	Q461 I462 L467 Q468 E469	Q461-K465 VanDerWaalsContact O-CB 3.29Å; Q461-K465 WeakPolarHBondContact O-CB 3.29Å; Q461-K465 PolarHBondContact O-N 3.45Å; I462-K465 PolarHBondContact O-N 3Å; K465-L467 PolarHBondContact O-N 3.28Å; K465-Q468 PolarHBondContact O-N 3.47Å; K465-E469 WeakPolarHBondContact O-CB 3.3Å; K465-E469 WeakPolarHBondContact O-CG 3.45Å; K465-E469 PolarHBondContact O-N 3.18Å
466	L	54.3	Low	50.8	Low	52 Å²	52	102.7 Å²	102.7	27%	0.272	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-29.4	177	-77.3	164.6	0	0	0	112.6	I462 A463 A505	I462-L466 HydrophobicContact CG2-CD1 3.83Å; I462-L466 HydrophobicContact CG2-CG 4.48Å; I462-L466 WeakPolarHBondContact O-CB 2.8Å; I462-L466 WeakPolarHBondContact O-CD1 3.34Å; I462-L466 VanDerWaalsContact O-CG 3.29Å; I462-L466 WeakPolarHBondContact O-CG 3.34Å; I462-L466 PolarHBondContact O-N 3.14Å; A463-L466 PolarHBondContact O-N 2.96Å; L466-A505 HydrophobicContact CD2-CB 4.28Å
467	L	53.2	Low	50.6	Low	86 Å²	86	101.3 Å²	101.3	45%	0.45	53%	0.53	S	S	.	.	H	α-helix	trans	-83.8	-31.5	174.7	-70.4	167.1	0	0	0	112.8	A463 I464 K465 L506	A463-L467 WeakPolarHBondContact O-CB 3.3Å; A463-L467 WeakPolarHBondContact O-CD1 3.35Å; A463-L467 VanDerWaalsContact O-CG 3.26Å; A463-L467 WeakPolarHBondContact O-CG 3.32Å; A463-L467 PolarHBondContact O-N 2.92Å; I464-L467 CarbonylContact O-C 3.6Å; I464-L467 PolarHBondContact O-N 2.92Å; K465-L467 PolarHBondContact O-N 3.28Å; L467-L506 HydrophobicContact CD2-CD2 3.89Å
468	Q	56.1	Low	50.4	Low	145 Å²	145	98.5 Å²	98.5	68%	0.678	52%	0.515	S	S	*	.	H	α-helix	trans	-81.7	-24.8	179.6	-76.3	177.9	-14.3	0	0	113.5	I464 K465 Q470	I464-Q468 HydrophobicContact CG2-CG 4Å; I464-Q468 VanDerWaalsContact CG2-NE2 3.34Å; I464-Q468 VanDerWaalsContact O-CB 3.26Å; I464-Q468 WeakPolarHBondContact O-CB 3.21Å; I464-Q468 VanDerWaalsContact O-CG 3.24Å; I464-Q468 WeakPolarHBondContact O-CG 3.46Å; I464-Q468 PolarHBondContact O-N 3.26Å; K465-Q468 PolarHBondContact O-N 3.47Å; Q468-Q470 PolarHBondContact O-N 2.69Å
469	E	49.3	Very low	50.1	Low	144 Å²	144	99.5 Å²	99.5	67%	0.673	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	8.1	175	-82.8	-175	-177.7	0	0	113.9	K465 T471	K465-E469 WeakPolarHBondContact O-CB 3.3Å; K465-E469 WeakPolarHBondContact O-CG 3.45Å; K465-E469 PolarHBondContact O-N 3.18Å; E469-T471 VanDerWaalsContact C-N 3.27Å; E469-T471 PolarHBondContact O-N 3.24Å
470	Q	48.3	Very low	50.1	Low	114 Å²	114	100.7 Å²	100.7	53%	0.533	54%	0.537	S	S	.	.			trans	-65.5	89.3	171.3	-69.7	-161.3	17	0	0	110.5	Q468	Q468-Q470 PolarHBondContact O-N 2.69Å
471	T	39.8	Very low	49.9	Very low	78 Å²	78	107.1 Å²	107.1	48%	0.479	56%	0.558	S	S	.	*			trans	-54.2	132.8	167.6	41.6	0	0	0	0	109.3	E469 F473	E469-T471 VanDerWaalsContact C-N 3.27Å; E469-T471 PolarHBondContact O-N 3.24Å; T471-F473 PolarHBondContact O-N 3.44Å
472	P	40.5	Very low	49.6	Very low	117 Å²	117	108.8 Å²	108.8	76%	0.76	57%	0.565	S	S	*	*			trans	-55.8	128.8	174.6	23.3	-31.4	0	0	0	108.1	P474	P472-P474 VanDerWaalsContact O-CD 3.24Å; P472-P474 WeakPolarHBondContact O-CD 3.4Å
473	F	45.8	Very low	49.2	Very low	143 Å²	143	106.4 Å²	106.4	63%	0.627	56%	0.559	S	S	*	*			trans	-43.6	113.5	175.9	-75.8	-96.4	0	0	0	108.9	T471 H475 L499	T471-F473 PolarHBondContact O-N 3.44Å; F473-H475 PolarHBondContact O-N 3.22Å; F473-L499 HydrophobicContact CE1-CD2 4.13Å
474	P	42	Very low	49.6	Very low	79 Å²	79	108.1 Å²	108.1	51%	0.513	58%	0.577	S	S	.	*			trans	-65.1	115.4	174.4	23.9	-29.2	0	0	0	106.5	P472 I476	P472-P474 VanDerWaalsContact O-CD 3.24Å; P472-P474 WeakPolarHBondContact O-CD 3.4Å; P474-I476 PolarHBondContact O-N 3.31Å
475	H	42.6	Very low	49.8	Very low	191 Å²	191	110.6 Å²	110.6	88%	0.884	60%	0.596	S	S	*	*			trans	-59.3	102.8	171.5	-101.7	-79	0	0	0	107.7	F473 S477	F473-H475 PolarHBondContact O-N 3.22Å; H475-S477 VanDerWaalsContact C-N 3.32Å; H475-S477 PolarHBondContact O-N 3.31Å
476	I	48.7	Very low	50.3	Low	90 Å²	90	112.8 Å²	112.8	46%	0.462	61%	0.606	S	S	.	*			trans	-79.1	91.1	170.6	-51.2	178.9	0	0	0	106.4	P474 I478	P474-I476 PolarHBondContact O-N 3.31Å; I476-I478 HydrophobicContact CG2-CD1 3.97Å; I476-I478 HydrophobicContact CG2-CG1 3.51Å; I476-I478 PolarHBondContact O-N 2.78Å
477	S	44.4	Very low	50.7	Low	113 Å²	113	115.9 Å²	115.9	79%	0.79	62%	0.619	S	S	*	*			trans	-77.9	98	165.7	177.4	0	0	0	0	108	H475	H475-S477 VanDerWaalsContact C-N 3.32Å; H475-S477 PolarHBondContact O-N 3.31Å
478	I	49.8	Very low	51.2	Low	70 Å²	70	113.5 Å²	113.5	36%	0.359	61%	0.609	S	S	.	*			trans	-91.5	114.3	169	-51.1	-176.8	0	0	0	106.8	I476 A483 L491	I476-I478 HydrophobicContact CG2-CD1 3.97Å; I476-I478 HydrophobicContact CG2-CG1 3.51Å; I476-I478 PolarHBondContact O-N 2.78Å; I478-A483 HydrophobicContact CG2-CB 3.63Å; I478-L491 HydrophobicContact CD1-CD1 4.31Å
479	S	46.9	Very low	51.8	Low	57 Å²	57	113.2 Å²	113.2	40%	0.399	61%	0.606	S	S	.	*			trans	-56.9	122.6	166.1	162	0	0	0	0	108.7	K481 Q482	S479-K481 PolarHBondContact O-N 2.82Å; S479-Q482 PolarHBondContact O-N 2.94Å
480	P	50.9	Low	53	Low	133 Å²	133	111.1 Å²	111.1	86%	0.864	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-2.2	-175	24.6	-33.2	0	0	0	113.9
481	K	52.7	Low	54	Low	194 Å²	194	109.6 Å²	109.6	84%	0.843	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-7.3	-173.8	-65.9	-173.5	177.4	-177.9	0	115.3	S479	S479-K481 PolarHBondContact O-N 2.82Å
482	Q	48.6	Very low	55.5	Low	169 Å²	169	111.4 Å²	111.4	79%	0.79	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	-11.3	-168.6	-77.7	178.7	-16.1	0	0	117.3	S479	S479-Q482 PolarHBondContact O-N 2.94Å
483	A	48.9	Very low	57	Low	37 Å²	37	109.7 Å²	109.7	31%	0.306	58%	0.58	S	S	.	*			trans	-95.1	117.6	-178.9	0	0	0	0	0	111.5	I478 C488	I478-A483 HydrophobicContact CG2-CB 3.63Å; A483-C488 WeakPolarHBondContact CB-SG 3.27Å
484	G	60.6	Low	58.3	Low	42 Å²	42	107.9 Å²	107.9	43%	0.433	58%	0.577	S	S	.	*			trans	-61.4	146.1	169.2	0	0	0	0	0	110.6	K486 E487 C488	G484-K486 PolarHBondContact O-N 2.86Å; G484-E487 PolarHBondContact O-N 3.43Å; G484-C488 PolarHBondContact O-N 2.81Å
485	T	62.9	Low	59.6	Low	134 Å²	134	106.1 Å²	106.1	82%	0.822	56%	0.561	S	S	*	*	H	α-helix	trans	-51.2	-28.5	-177.5	7	0	0	0	0	113.8	F489	T485-F489 WeakPolarHBondContact O-CB 3.16Å; T485-F489 PolarHBondContact O-N 3.31Å
486	K	69.1	Low	61	Low	180 Å²	180	100.2 Å²	100.2	78%	0.783	54%	0.537	S	S	*	.	H	α-helix	trans	-70.5	-40	174.4	-90.6	-179.2	173.7	176.4	0	114	G484 F489 L490	G484-K486 PolarHBondContact O-N 2.86Å; K486-F489 PolarHBondContact O-N 2.75Å; K486-L490 WeakPolarHBondContact O-CG 3.26Å; K486-L490 PolarHBondContact O-N 2.91Å
487	E	63.7	Low	62.2	Low	118 Å²	118	103.1 Å²	103.1	55%	0.551	55%	0.547	S	S	*	.	H	α-helix	trans	-69.1	-43.8	179.3	-90.4	174.6	153	0	0	111.3	G484 F489 L490 L491	G484-E487 PolarHBondContact O-N 3.43Å; E487-F489 VanDerWaalsContact C-N 3.26Å; E487-F489 PolarHBondContact O-N 2.75Å; E487-L490 PolarHBondContact O-N 2.86Å; E487-L491 WeakPolarHBondContact O-CB 3.07Å; E487-L491 PolarHBondContact O-N 3.45Å
488	C	63.6	Low	63.6	Low	36 Å²	36	101.6 Å²	101.6	24%	0.243	53%	0.527	C	S	.	.	H	α-helix	trans	-57.4	-41.6	172.3	-73.9	0	0	0	0	111.7	A483 G484 L492	A483-C488 WeakPolarHBondContact CB-SG 3.27Å; G484-C488 PolarHBondContact O-N 2.81Å; C488-L492 WeakPolarHBondContact O-CB 3.33Å; C488-L492 WeakPolarHBondContact O-CG 3.44Å; C488-L492 PolarHBondContact O-N 2.93Å
489	F	69.1	Low	64.6	Low	139 Å²	139	101.6 Å²	101.6	61%	0.61	53%	0.528	S	S	*	.	H	α-helix	trans	-66.1	-41	177.8	-176.7	-98.2	0	0	0	112.7	T485 K486 E487 L492 K493	T485-F489 WeakPolarHBondContact O-CB 3.16Å; T485-F489 PolarHBondContact O-N 3.31Å; K486-F489 PolarHBondContact O-N 2.75Å; E487-F489 VanDerWaalsContact C-N 3.26Å; E487-F489 PolarHBondContact O-N 2.75Å; F489-L492 PolarHBondContact O-N 2.83Å; F489-K493 VanDerWaalsContact O-CB 3.32Å; F489-K493 WeakPolarHBondContact O-CB 3.43Å; F489-K493 PolarHBondContact O-N 2.85Å
490	L	73.2	Confident	65.7	Low	99 Å²	99	105.6 Å²	105.6	52%	0.518	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-44.4	176.9	-76.7	166.6	0	0	0	111.9	K486 E487 L492 K493 D494	K486-L490 WeakPolarHBondContact O-CG 3.26Å; K486-L490 PolarHBondContact O-N 2.91Å; E487-L490 PolarHBondContact O-N 2.86Å; L490-L492 PolarHBondContact O-N 2.93Å; L490-K493 WeakPolarHBondContact O-CB 3.46Å; L490-K493 PolarHBondContact O-N 3.34Å; L490-K493 VanDerWaalsContact O-N 3.14Å; L490-D494 PolarHBondContact O-N 3.41Å
491	L	70.6	Confident	66.8	Low	83 Å²	83	107 Å²	107	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-59	-45.5	174.3	-86.6	160.7	0	0	0	111.9	I478 E487 K493 D494 R495	I478-L491 HydrophobicContact CD1-CD1 4.31Å; E487-L491 WeakPolarHBondContact O-CB 3.07Å; E487-L491 PolarHBondContact O-N 3.45Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 2.72Å; L491-D494 PolarHBondContact O-N 2.71Å; L491-R495 WeakPolarHBondContact O-CB 3.42Å; L491-R495 PolarHBondContact O-N 3.37Å
492	L	70.6	Confident	67.5	Low	116 Å²	116	100 Å²	100	61%	0.607	50%	0.497	S	S	*	.	H	α-helix	trans	-60.9	-42.4	174.1	-85.5	162.6	0	0	0	111.6	C488 F489 L490 R495 V496	C488-L492 WeakPolarHBondContact O-CB 3.33Å; C488-L492 WeakPolarHBondContact O-CG 3.44Å; C488-L492 PolarHBondContact O-N 2.93Å; F489-L492 PolarHBondContact O-N 2.83Å; L490-L492 PolarHBondContact O-N 2.93Å; L492-R495 PolarHBondContact O-N 2.75Å; L492-V496 WeakPolarHBondContact O-CB 3.38Å; L492-V496 VanDerWaalsContact O-CG2 3.26Å; L492-V496 WeakPolarHBondContact O-CG2 3.41Å; L492-V496 PolarHBondContact O-N 2.77Å
493	K	72.9	Confident	68.5	Low	80 Å²	80	96.7 Å²	96.7	35%	0.348	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-44	-179.9	-170.7	-177	177.8	-172	0	111.9	F489 L490 L491 V496 K497	F489-K493 VanDerWaalsContact O-CB 3.32Å; F489-K493 WeakPolarHBondContact O-CB 3.43Å; F489-K493 PolarHBondContact O-N 2.85Å; L490-K493 WeakPolarHBondContact O-CB 3.46Å; L490-K493 PolarHBondContact O-N 3.34Å; L490-K493 VanDerWaalsContact O-N 3.14Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 2.72Å; K493-V496 PolarHBondContact O-N 2.89Å; K493-K497 PolarHBondContact O-N 2.82Å
494	D	71.9	Confident	69.5	Low	106 Å²	106	99.2 Å²	99.2	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-67.6	-37.6	176	-84.3	-8	0	0	0	111.6	L490 L491 K497 H498	L490-D494 PolarHBondContact O-N 3.41Å; L491-D494 PolarHBondContact O-N 2.71Å; D494-K497 WeakPolarHBondContact O-CB 3.49Å; D494-K497 PolarHBondContact O-N 2.87Å; D494-H498 PolarHBondContact O-N 2.85Å
495	R	69.9	Low	70	Confident	42 Å²	42	98.8 Å²	98.8	16%	0.158	48%	0.484	C	S	.	.	H	α-helix	trans	-64.3	-44.3	174.5	-170.1	64.5	-175	159.4	7.5	112.1	L491 L492 K497 H498 L499	L491-R495 WeakPolarHBondContact O-CB 3.42Å; L491-R495 PolarHBondContact O-N 3.37Å; L492-R495 PolarHBondContact O-N 2.75Å; R495-K497 VanDerWaalsContact C-N 3.25Å; R495-K497 PolarHBondContact O-N 2.94Å; R495-H498 PolarHBondContact O-N 2.66Å; R495-L499 HydrophobicContact CG-CD1 4.2Å; R495-L499 HydrophobicContact CG-CG 4.49Å; R495-L499 WeakPolarHBondContact O-CG 3.45Å; R495-L499 PolarHBondContact O-N 2.81Å
496	V	72.8	Confident	70.2	Confident	66 Å²	66	95.6 Å²	95.6	40%	0.4	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-39.3	174.3	169.1	0	0	0	0	110.8	L492 K493 L499 R500	L492-V496 WeakPolarHBondContact O-CB 3.38Å; L492-V496 VanDerWaalsContact O-CG2 3.26Å; L492-V496 WeakPolarHBondContact O-CG2 3.41Å; L492-V496 PolarHBondContact O-N 2.77Å; K493-V496 PolarHBondContact O-N 2.89Å; V496-L499 PolarHBondContact O-N 2.86Å; V496-R500 WeakPolarHBondContact O-CB 3.1Å; V496-R500 WeakPolarHBondContact O-CG 2.92Å; V496-R500 PolarHBondContact O-N 2.84Å
497	K	74	Confident	70	Confident	151 Å²	151	91.5 Å²	91.5	66%	0.657	45%	0.446	S	S	*	.	H	α-helix	trans	-64.3	-42.1	176.7	-168.2	-177.4	179.5	-173	0	111.7	K493 D494 R495 K501	K493-K497 PolarHBondContact O-N 2.82Å; D494-K497 WeakPolarHBondContact O-CB 3.49Å; D494-K497 PolarHBondContact O-N 2.87Å; R495-K497 VanDerWaalsContact C-N 3.25Å; R495-K497 PolarHBondContact O-N 2.94Å; K497-K501 PolarHBondContact O-N 2.84Å
498	H	72.2	Confident	70.3	Confident	81 Å²	81	93 Å²	93	38%	0.375	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-46.4	176	-170.6	-16.1	0	0	0	111.8	D494 R495 R500 K501 E502	D494-H498 PolarHBondContact O-N 2.85Å; R495-H498 PolarHBondContact O-N 2.66Å; H498-R500 VanDerWaalsContact C-N 3.31Å; H498-R500 PolarHBondContact O-N 3.25Å; H498-K501 WeakPolarHBondContact O-CA 3.15Å; H498-K501 VanDerWaalsContact O-CB 3.28Å; H498-K501 WeakPolarHBondContact O-CB 3.48Å; H498-K501 PolarHBondContact O-N 2.93Å; H498-E502 IonicContact CE1-OE1 3.32Å; H498-E502 PolarHBondContact CE1-OE1 2.83Å; H498-E502 IonicContact ND1-OE1 3.89Å; H498-E502 PolarHBondContact O-N 3.28Å
499	L	70.8	Confident	70.6	Confident	71 Å²	71	91.6 Å²	91.6	37%	0.372	44%	0.442	S	S	.	.	H	α-helix	trans	-61.1	-38.4	177.7	-72.2	170.8	0	0	0	111.9	F473 R495 V496 K501 E502 L503	F473-L499 HydrophobicContact CE1-CD2 4.13Å; R495-L499 HydrophobicContact CG-CD1 4.2Å; R495-L499 HydrophobicContact CG-CG 4.49Å; R495-L499 WeakPolarHBondContact O-CG 3.45Å; R495-L499 PolarHBondContact O-N 2.81Å; V496-L499 PolarHBondContact O-N 2.86Å; L499-K501 VanDerWaalsContact C-N 3.3Å; L499-K501 PolarHBondContact O-N 3.15Å; L499-E502 PolarHBondContact O-N 3.47Å; L499-L503 WeakPolarHBondContact O-CB 3.5Å; L499-L503 PolarHBondContact O-N 3.38Å
500	R	71.6	Confident	70.3	Confident	140 Å²	140	88.6 Å²	88.6	53%	0.528	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-36.7	172.8	-77.4	-179.1	-174.3	-177.7	1.8	112.4	V496 H498 N504	V496-R500 WeakPolarHBondContact O-CB 3.1Å; V496-R500 WeakPolarHBondContact O-CG 2.92Å; V496-R500 PolarHBondContact O-N 2.84Å; H498-R500 VanDerWaalsContact C-N 3.31Å; H498-R500 PolarHBondContact O-N 3.25Å; R500-N504 VanDerWaalsContact O-CG 3.29Å; R500-N504 PolarHBondContact O-N 3.05Å
501	K	72.5	Confident	70.1	Confident	164 Å²	164	87.9 Å²	87.9	71%	0.713	43%	0.426	S	S	*	.	H	α-helix	trans	-65.8	-44.5	177.1	-123.6	-173.8	178.8	-168.8	0	111	K497 H498 L499 N504 A505	K497-K501 PolarHBondContact O-N 2.84Å; H498-K501 WeakPolarHBondContact O-CA 3.15Å; H498-K501 VanDerWaalsContact O-CB 3.28Å; H498-K501 WeakPolarHBondContact O-CB 3.48Å; H498-K501 PolarHBondContact O-N 2.93Å; L499-K501 VanDerWaalsContact C-N 3.3Å; L499-K501 PolarHBondContact O-N 3.15Å; K501-N504 PolarHBondContact O-N 3.25Å; K501-A505 PolarHBondContact O-N 3.11Å; K501-A505 VanDerWaalsContact O-N 3.08Å
502	E	67.5	Low	70.1	Confident	47 Å²	47	86.9 Å²	86.9	22%	0.22	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-44.1	174.5	-74.3	179.5	160.9	0	0	111.8	H498 L499 N504 A505 L506	H498-E502 IonicContact CE1-OE1 3.32Å; H498-E502 PolarHBondContact CE1-OE1 2.83Å; H498-E502 IonicContact ND1-OE1 3.89Å; H498-E502 PolarHBondContact O-N 3.28Å; L499-E502 PolarHBondContact O-N 3.47Å; E502-N504 VanDerWaalsContact C-N 3.32Å; E502-N504 PolarHBondContact O-N 2.93Å; E502-A505 WeakPolarHBondContact O-CB 3.44Å; E502-A505 PolarHBondContact O-N 2.83Å; E502-A505 VanDerWaalsContact O-N 3.1Å; E502-L506 PolarHBondContact O-N 3.05Å
503	L	69.5	Low	70	Confident	98 Å²	98	85.4 Å²	85.4	51%	0.513	41%	0.413	S	S	.	.	H	α-helix	trans	-57.1	-46.4	176.3	-168.8	84.7	0	0	0	111.3	L499 A505 L506 E507	L499-L503 WeakPolarHBondContact O-CB 3.5Å; L499-L503 PolarHBondContact O-N 3.38Å; L503-A505 VanDerWaalsContact C-N 3.3Å; L503-A505 PolarHBondContact O-N 3.16Å; L503-L506 PolarHBondContact O-N 3.23Å; L503-E507 PolarHBondContact O-N 3.21Å
504	N	71.4	Confident	69.7	Low	90 Å²	90	82.5 Å²	82.5	48%	0.481	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-34	177.8	-73.2	-5.1	0	0	0	112.5	R500 K501 E502 K508	R500-N504 VanDerWaalsContact O-CG 3.29Å; R500-N504 PolarHBondContact O-N 3.05Å; K501-N504 PolarHBondContact O-N 3.25Å; E502-N504 VanDerWaalsContact C-N 3.32Å; E502-N504 PolarHBondContact O-N 2.93Å; N504-K508 WeakPolarHBondContact O-CG 3.49Å; N504-K508 PolarHBondContact O-N 2.88Å; N504-K508 VanDerWaalsContact O-N 3.15Å
505	A	70	Confident	69.6	Low	33 Å²	33	80.3 Å²	80.3	27%	0.273	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-42.5	175.1	0	0	0	0	0	111.2	L466 K501 E502 L503 K508 G509	L466-A505 HydrophobicContact CD2-CB 4.28Å; K501-A505 PolarHBondContact O-N 3.11Å; K501-A505 VanDerWaalsContact O-N 3.08Å; E502-A505 WeakPolarHBondContact O-CB 3.44Å; E502-A505 PolarHBondContact O-N 2.83Å; E502-A505 VanDerWaalsContact O-N 3.1Å; L503-A505 VanDerWaalsContact C-N 3.3Å; L503-A505 PolarHBondContact O-N 3.16Å; A505-K508 PolarHBondContact O-N 2.64Å; A505-G509 PolarHBondContact O-N 2.92Å
506	L	66.8	Low	69.7	Low	68 Å²	68	82.2 Å²	82.2	36%	0.356	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-41.6	174.1	-75.8	169.6	0	0	0	112.2	L467 E502 L503 K508 G509 F510	L467-L506 HydrophobicContact CD2-CD2 3.89Å; E502-L506 PolarHBondContact O-N 3.05Å; L503-L506 PolarHBondContact O-N 3.23Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 2.87Å; L506-G509 PolarHBondContact O-N 3.48Å; L506-F510 VanDerWaalsContact O-CB 3.31Å; L506-F510 WeakPolarHBondContact O-CB 3.32Å; L506-F510 PolarHBondContact O-N 2.75Å
507	E	65.9	Low	69.4	Low	93 Å²	93	81.6 Å²	81.6	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-60.7	-40.6	174.6	-81	-175.3	165.6	0	0	111.9	L503 F510 N511	L503-E507 PolarHBondContact O-N 3.21Å; E507-F510 PolarHBondContact O-N 2.78Å; E507-N511 WeakPolarHBondContact O-CB 3.33Å; E507-N511 PolarHBondContact O-N 2.82Å; E507-N511 PolarHBondContact O-ND2 2.83Å
508	K	70	Confident	69.1	Low	149 Å²	149	76.1 Å²	76.1	65%	0.648	38%	0.378	S	S	*	.	H	α-helix	trans	-63.4	-47.8	174.2	-75.4	-179.4	178.2	-172.8	0	111.7	N504 A505 L506 F510 N511 I512	N504-K508 WeakPolarHBondContact O-CG 3.49Å; N504-K508 PolarHBondContact O-N 2.88Å; N504-K508 VanDerWaalsContact O-N 3.15Å; A505-K508 PolarHBondContact O-N 2.64Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 2.87Å; K508-F510 VanDerWaalsContact C-N 3.3Å; K508-F510 PolarHBondContact O-N 3.46Å; K508-N511 PolarHBondContact O-N 3.27Å; K508-I512 WeakPolarHBondContact O-CG1 3.47Å; K508-I512 PolarHBondContact O-N 2.87Å; K508-I512 VanDerWaalsContact O-N 3.12Å
509	G	68.8	Low	69.2	Low	7 Å²	7	73.9 Å²	73.9	7%	0.072	37%	0.368	C	S	.	.	H	α-helix	trans	-59.8	-41.9	177	0	0	0	0	0	112.1	A505 L506 I512 L513	A505-G509 PolarHBondContact O-N 2.92Å; L506-G509 PolarHBondContact O-N 3.48Å; G509-I512 PolarHBondContact O-N 3.42Å; G509-L513 PolarHBondContact O-N 3.35Å
510	F	64.3	Low	69.4	Low	77 Å²	77	75.4 Å²	75.4	34%	0.338	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-48.5	175.3	-171.7	-80.4	0	0	0	111.7	H436 L506 E507 K508 I512 L513 N514	H436-F510 HydrophobicContact CB-CD1 4.06Å; H436-F510 HydrophobicContact CB-CE1 3.14Å; H436-F510 HydrophobicContact CB-CE2 4.38Å; H436-F510 HydrophobicContact CB-CZ 3.34Å; H436-F510 AromaticContact CD2-CD1 3.36Å; H436-F510 WeakPolarHBondContact CD2-CD1 3.12Å; H436-F510 AromaticContact CD2-CE1 3.15Å; H436-F510 WeakPolarHBondContact CD2-CE1 3.26Å; H436-F510 AromaticContact CE1-CD1 3.61Å; H436-F510 AromaticContact CG-CD1 3.48Å; H436-F510 VanDerWaalsContact CG-CD1 3.48Å; H436-F510 AromaticContact CG-CE1 3.05Å; H436-F510 AromaticContact CG-CZ 3.75Å; H436-F510 AromaticContact ND1-CD1 3.66Å; H436-F510 AromaticContact ND1-CE1 3.67Å; H436-F510 AromaticContact NE2-CD1 3.43Å; H436-F510 WeakPolarHBondContact NE2-CD1 3.39Å; H436-F510 AromaticContact NE2-CE1 3.75Å; L506-F510 VanDerWaalsContact O-CB 3.31Å; L506-F510 WeakPolarHBondContact O-CB 3.32Å; L506-F510 PolarHBondContact O-N 2.75Å; E507-F510 PolarHBondContact O-N 2.78Å; K508-F510 VanDerWaalsContact C-N 3.3Å; K508-F510 PolarHBondContact O-N 3.46Å; F510-I512 VanDerWaalsContact C-N 3.26Å; F510-I512 PolarHBondContact O-N 2.89Å; F510-L513 PolarHBondContact O-N 3.22Å; F510-L513 VanDerWaalsContact O-N 3.15Å; F510-N514 HydrophobicContact CD1-CB 4.35Å; F510-N514 HydrophobicContact CE1-CB 3.93Å; F510-N514 WeakPolarHBondContact O-CB 3.45Å; F510-N514 PolarHBondContact O-N 3.12Å
511	N	68.1	Low	69.3	Low	84 Å²	84	71.4 Å²	71.4	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-37.1	-180	-70	-23	0	0	0	112.1	H436 E507 K508 N514 A515	H436-N511 PolarHBondContact NE2-OD1 3.34Å; E507-N511 WeakPolarHBondContact O-CB 3.33Å; E507-N511 PolarHBondContact O-N 2.82Å; E507-N511 PolarHBondContact O-ND2 2.83Å; K508-N511 PolarHBondContact O-N 3.27Å; N511-N514 PolarHBondContact O-N 2.85Å; N511-A515 PolarHBondContact O-N 3.42Å
512	I	70.6	Confident	69.4	Low	61 Å²	61	63.9 Å²	63.9	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-47.8	174.4	-65.9	165.2	0	0	0	110.7	K508 G509 F510 N514 A515 K516	K508-I512 WeakPolarHBondContact O-CG1 3.47Å; K508-I512 PolarHBondContact O-N 2.87Å; K508-I512 VanDerWaalsContact O-N 3.12Å; G509-I512 PolarHBondContact O-N 3.42Å; F510-I512 VanDerWaalsContact C-N 3.26Å; F510-I512 PolarHBondContact O-N 2.89Å; I512-N514 VanDerWaalsContact C-N 3.32Å; I512-N514 PolarHBondContact O-N 3.03Å; I512-A515 PolarHBondContact O-N 3.27Å; I512-K516 PolarHBondContact O-N 3.44Å
513	L	68.3	Low	69.8	Low	86 Å²	86	64.5 Å²	64.5	45%	0.45	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-41.5	177.1	-79.8	165.6	0	0	0	111.9	G509 F510 A515 K516 M517	G509-L513 PolarHBondContact O-N 3.35Å; F510-L513 PolarHBondContact O-N 3.22Å; F510-L513 VanDerWaalsContact O-N 3.15Å; L513-A515 PolarHBondContact O-N 3.35Å; L513-K516 PolarHBondContact O-N 3.44Å; L513-M517 WeakPolarHBondContact O-CB 3.37Å; L513-M517 PolarHBondContact O-N 3.18Å
514	N	66.4	Low	70.1	Confident	18 Å²	18	62.1 Å²	62.1	10%	0.096	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-41.3	180	-140.3	23.5	0	0	0	111	F510 N511 I512 K516 M517 L518	F510-N514 HydrophobicContact CD1-CB 4.35Å; F510-N514 HydrophobicContact CE1-CB 3.93Å; F510-N514 WeakPolarHBondContact O-CB 3.45Å; F510-N514 PolarHBondContact O-N 3.12Å; N511-N514 PolarHBondContact O-N 2.85Å; I512-N514 VanDerWaalsContact C-N 3.32Å; I512-N514 PolarHBondContact O-N 3.03Å; N514-K516 VanDerWaalsContact C-N 3.34Å; N514-K516 PolarHBondContact O-N 3.12Å; N514-M517 PolarHBondContact O-N 2.87Å; N514-M517 VanDerWaalsContact OD1-CE 3.26Å; N514-M517 WeakPolarHBondContact OD1-CE 3.42Å; N514-L518 WeakPolarHBondContact O-CB 3.31Å; N514-L518 PolarHBondContact O-N 3.03Å
515	A	71.1	Confident	70.2	Confident	60 Å²	60	60.5 Å²	60.5	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-39.9	173.3	0	0	0	0	0	112.1	N511 I512 L513 L518 Q519	N511-A515 PolarHBondContact O-N 3.42Å; I512-A515 PolarHBondContact O-N 3.27Å; L513-A515 PolarHBondContact O-N 3.35Å; A515-L518 WeakPolarHBondContact O-CB 3.48Å; A515-L518 PolarHBondContact O-N 3.15Å; A515-Q519 PolarHBondContact O-N 3.09Å; A515-Q519 VanDerWaalsContact O-N 3.1Å
516	K	71.2	Confident	70.5	Confident	83 Å²	83	64.5 Å²	64.5	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-41.9	176.6	-174.6	56.7	173.2	-179.1	0	112.2	I512 L513 N514 L518 Q519 L520	I512-K516 PolarHBondContact O-N 3.44Å; L513-K516 PolarHBondContact O-N 3.44Å; N514-K516 VanDerWaalsContact C-N 3.34Å; N514-K516 PolarHBondContact O-N 3.12Å; K516-L518 VanDerWaalsContact C-N 3.3Å; K516-L518 PolarHBondContact O-N 2.87Å; K516-Q519 WeakPolarHBondContact O-CB 3.46Å; K516-Q519 PolarHBondContact O-N 3.14Å; K516-L520 HydrophobicContact CG-CD1 4.33Å; K516-L520 WeakPolarHBondContact O-CG 3.04Å; K516-L520 PolarHBondContact O-N 3.24Å
517	M	67	Low	71	Confident	53 Å²	53	67.2 Å²	67.2	26%	0.261	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-38.3	176.7	-174.4	-168.8	77.2	0	0	111.8	L438 L513 N514 L520 T521	L438-M517 HydrophobicContact CD2-CE 3.6Å; L438-M517 HydrophobicContact CD2-SD 3.18Å; L438-M517 WeakPolarHBondContact CD2-SD 3.48Å; L438-M517 HydrophobicContact CG-CE 4.45Å; L438-M517 HydrophobicContact CG-SD 4.37Å; L513-M517 WeakPolarHBondContact O-CB 3.37Å; L513-M517 PolarHBondContact O-N 3.18Å; N514-M517 PolarHBondContact O-N 2.87Å; N514-M517 VanDerWaalsContact OD1-CE 3.26Å; N514-M517 WeakPolarHBondContact OD1-CE 3.42Å; M517-L520 PolarHBondContact O-N 3.11Å; M517-T521 WeakPolarHBondContact O-CB 3.41Å; M517-T521 PolarHBondContact O-N 2.91Å; M517-T521 PolarHBondContact O-OG1 3.45Å
518	L	68	Low	71.5	Confident	35 Å²	35	66.4 Å²	66.4	18%	0.183	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-50.3	173.2	-152.3	158.7	0	0	0	110.6	F441 L449 N514 A515 K516 L520 T521 V522	F441-L518 HydrophobicContact CD1-CD1 4.18Å; F441-L518 HydrophobicContact CD1-CG 4.17Å; F441-L518 HydrophobicContact CD2-CG 4.09Å; F441-L518 HydrophobicContact CE1-CD1 3.23Å; F441-L518 HydrophobicContact CE1-CD2 4.35Å; F441-L518 HydrophobicContact CE1-CG 3.62Å; F441-L518 HydrophobicContact CE2-CB 4.16Å; F441-L518 HydrophobicContact CE2-CD1 3.85Å; F441-L518 HydrophobicContact CE2-CG 3.53Å; F441-L518 HydrophobicContact CG-CG 4.41Å; F441-L518 HydrophobicContact CZ-CB 4.16Å; F441-L518 HydrophobicContact CZ-CD1 3.05Å; F441-L518 HydrophobicContact CZ-CD2 4.44Å; F441-L518 HydrophobicContact CZ-CG 3.29Å; L449-L518 HydrophobicContact CD1-CD2 3.81Å; N514-L518 WeakPolarHBondContact O-CB 3.31Å; N514-L518 PolarHBondContact O-N 3.03Å; A515-L518 WeakPolarHBondContact O-CB 3.48Å; A515-L518 PolarHBondContact O-N 3.15Å; K516-L518 VanDerWaalsContact C-N 3.3Å; K516-L518 PolarHBondContact O-N 2.87Å; L518-L520 PolarHBondContact O-N 3.06Å; L518-T521 WeakPolarHBondContact O-CB 3.46Å; L518-T521 PolarHBondContact O-N 2.94Å; L518-V522 HydrophobicContact CD2-CG2 4.26Å; L518-V522 WeakPolarHBondContact O-CG2 3.37Å; L518-V522 PolarHBondContact O-N 3.45Å
519	Q	73	Confident	71.9	Confident	35 Å²	35	63.9 Å²	63.9	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-45.5	174.8	-177.3	-175.8	35.7	0	0	112.3	I451 A515 K516 T521 V522 C523	I451-Q519 HydrophobicContact CD1-CB 4.35Å; I451-Q519 HydrophobicContact CD1-CG 4.21Å; I451-Q519 HydrophobicContact CG2-CG 4.17Å; A515-Q519 PolarHBondContact O-N 3.09Å; A515-Q519 VanDerWaalsContact O-N 3.1Å; K516-Q519 WeakPolarHBondContact O-CB 3.46Å; K516-Q519 PolarHBondContact O-N 3.14Å; Q519-T521 VanDerWaalsContact C-N 3.31Å; Q519-T521 PolarHBondContact O-N 3.35Å; Q519-V522 WeakPolarHBondContact O-CB 3.09Å; Q519-V522 PolarHBondContact O-N 2.77Å; Q519-C523 PolarHBondContact O-N 3.22Å; Q519-C523 PolarHBondContact O-SG 3.41Å
520	L	74.9	Confident	72.4	Confident	102 Å²	102	71.7 Å²	71.7	53%	0.534	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-38.6	179	-73.4	171.4	0	0	0	111.9	K516 M517 L518 C523 A524	K516-L520 HydrophobicContact CG-CD1 4.33Å; K516-L520 WeakPolarHBondContact O-CG 3.04Å; K516-L520 PolarHBondContact O-N 3.24Å; M517-L520 PolarHBondContact O-N 3.11Å; L518-L520 PolarHBondContact O-N 3.06Å; L520-C523 PolarHBondContact O-N 2.99Å; L520-A524 WeakPolarHBondContact O-CB 3.45Å; L520-A524 PolarHBondContact O-N 3.39Å
521	T	70.8	Confident	73.2	Confident	57 Å²	57	73.2 Å²	73.2	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-44.4	175.2	-50.3	0	0	0	0	110.9	M517 L518 Q519 C523 A524 C525	M517-T521 WeakPolarHBondContact O-CB 3.41Å; M517-T521 PolarHBondContact O-N 2.91Å; M517-T521 PolarHBondContact O-OG1 3.45Å; L518-T521 WeakPolarHBondContact O-CB 3.46Å; L518-T521 PolarHBondContact O-N 2.94Å; Q519-T521 VanDerWaalsContact C-N 3.31Å; Q519-T521 PolarHBondContact O-N 3.35Å; T521-C523 PolarHBondContact O-N 3.05Å; T521-A524 PolarHBondContact O-N 2.98Å; T521-C525 PolarHBondContact O-N 3.23Å
522	V	73	Confident	73.8	Confident	5 Å²	5	74.3 Å²	74.3	3%	0.03	38%	0.384	C	S	.	.	H	α-helix	trans	-59.5	-47.5	175	-174.8	0	0	0	0	110.8	L446 I451 L518 Q519 A524 C525 R526	L446-V522 HydrophobicContact CD2-CB 3.91Å; L446-V522 HydrophobicContact CD2-CG1 4.25Å; L446-V522 HydrophobicContact CD2-CG2 3.28Å; I451-V522 HydrophobicContact CD1-CB 4.46Å; I451-V522 HydrophobicContact CD1-CG2 4.07Å; L518-V522 HydrophobicContact CD2-CG2 4.26Å; L518-V522 WeakPolarHBondContact O-CG2 3.37Å; L518-V522 PolarHBondContact O-N 3.45Å; Q519-V522 WeakPolarHBondContact O-CB 3.09Å; Q519-V522 PolarHBondContact O-N 2.77Å; V522-A524 VanDerWaalsContact C-N 3.34Å; V522-A524 PolarHBondContact O-N 2.9Å; V522-C525 PolarHBondContact O-N 2.97Å; V522-R526 PolarHBondContact O-N 3.46Å
523	C	76.2	Confident	74.4	Confident	61 Å²	61	78.3 Å²	78.3	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-41.4	178.3	-75.1	0	0	0	0	112.2	Q519 L520 T521 R526 Q527	Q519-C523 PolarHBondContact O-N 3.22Å; Q519-C523 PolarHBondContact O-SG 3.41Å; L520-C523 PolarHBondContact O-N 2.99Å; T521-C523 PolarHBondContact O-N 3.05Å; C523-R526 PolarHBondContact O-N 3.39Å; C523-Q527 PolarHBondContact O-N 3.26Å
524	A	75.9	Confident	75	Confident	48 Å²	48	78.2 Å²	78.2	40%	0.397	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-45.4	176.4	0	0	0	0	0	111.4	L520 T521 V522 R526 Q527 V528	L520-A524 WeakPolarHBondContact O-CB 3.45Å; L520-A524 PolarHBondContact O-N 3.39Å; T521-A524 PolarHBondContact O-N 2.98Å; V522-A524 VanDerWaalsContact C-N 3.34Å; V522-A524 PolarHBondContact O-N 2.9Å; A524-R526 PolarHBondContact O-N 3.48Å; A524-Q527 WeakPolarHBondContact O-CB 3.12Å; A524-Q527 PolarHBondContact O-N 2.6Å; A524-Q527 VanDerWaalsContact O-N 3.15Å; A524-V528 WeakPolarHBondContact O-CG2 3.22Å; A524-V528 PolarHBondContact O-N 3.01Å
525	C	73.9	Confident	75.8	Confident	55 Å²	55	80.4 Å²	80.4	37%	0.372	42%	0.415	S	S	.	.	H	α-helix	trans	-58.9	-44.7	174.1	-83.7	0	0	0	0	112.3	T521 V522 Q527 V528 Q529	T521-C525 PolarHBondContact O-N 3.23Å; V522-C525 PolarHBondContact O-N 2.97Å; C525-Q527 VanDerWaalsContact C-N 3.3Å; C525-Q527 PolarHBondContact O-N 3.39Å; C525-V528 PolarHBondContact O-N 2.8Å; C525-Q529 WeakPolarHBondContact O-CG 3.33Å; C525-Q529 PolarHBondContact O-N 2.86Å
526	R	76.2	Confident	76.5	Confident	118 Å²	118	83.9 Å²	83.9	45%	0.445	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-34.9	175.6	-74	-178	-178.1	174.5	0.5	112.6	V522 C523 A524 R530	V522-R526 PolarHBondContact O-N 3.46Å; C523-R526 PolarHBondContact O-N 3.39Å; A524-R526 PolarHBondContact O-N 3.48Å; R526-R530 PolarHBondContact O-N 3.28Å; R526-R530 VanDerWaalsContact O-N 3.1Å
527	Q	77	Confident	77.1	Confident	125 Å²	125	83.2 Å²	83.2	58%	0.584	43%	0.426	S	S	*	.	H	α-helix	trans	-67.5	-44.3	174.3	-81	-179	-17.7	0	0	111.7	C523 A524 C525 Q529 R530 I531	C523-Q527 PolarHBondContact O-N 3.26Å; A524-Q527 WeakPolarHBondContact O-CB 3.12Å; A524-Q527 PolarHBondContact O-N 2.6Å; A524-Q527 VanDerWaalsContact O-N 3.15Å; C525-Q527 VanDerWaalsContact C-N 3.3Å; C525-Q527 PolarHBondContact O-N 3.39Å; Q527-Q529 PolarHBondContact O-N 3.02Å; Q527-R530 WeakPolarHBondContact O-CB 3.39Å; Q527-R530 PolarHBondContact O-N 3.33Å; Q527-R530 VanDerWaalsContact O-N 3.11Å; Q527-I531 WeakPolarHBondContact O-CG1 3.48Å; Q527-I531 PolarHBondContact O-N 2.79Å
528	V	77.3	Confident	77.7	Confident	76 Å²	76	87 Å²	87	46%	0.461	44%	0.442	S	S	.	.	H	α-helix	trans	-58.1	-48.1	175.4	173.3	0	0	0	0	110.6	A524 C525 R530 I531 E532	A524-V528 WeakPolarHBondContact O-CG2 3.22Å; A524-V528 PolarHBondContact O-N 3.01Å; C525-V528 PolarHBondContact O-N 2.8Å; V528-R530 PolarHBondContact O-N 3.37Å; V528-I531 WeakPolarHBondContact O-CB 3.47Å; V528-I531 PolarHBondContact O-N 2.97Å; V528-E532 HydrophobicContact CG1-CG 4.46Å; V528-E532 WeakPolarHBondContact O-CG 3.33Å; V528-E532 PolarHBondContact O-N 2.67Å
529	Q	78.7	Confident	78.5	Confident	95 Å²	95	89.1 Å²	89.1	44%	0.444	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-29.4	176.3	-72.7	176.9	-11.2	0	0	113.8	C525 Q527 R533	C525-Q529 WeakPolarHBondContact O-CG 3.33Å; C525-Q529 PolarHBondContact O-N 2.86Å; Q527-Q529 PolarHBondContact O-N 3.02Å; Q529-R533 PolarHBondContact O-N 2.8Å; Q529-R533 PolarHBondContact O-NE 2.99Å
530	R	79.6	Confident	79.1	Confident	171 Å²	171	91.2 Å²	91.2	65%	0.645	47%	0.474	S	S	*	.	H	α-helix	trans	-72.4	-40.9	172.8	-84.9	-179.9	170.4	168.7	-2.1	111.3	R526 Q527 V528 R533 V534	R526-R530 PolarHBondContact O-N 3.28Å; R526-R530 VanDerWaalsContact O-N 3.1Å; Q527-R530 WeakPolarHBondContact O-CB 3.39Å; Q527-R530 PolarHBondContact O-N 3.33Å; Q527-R530 VanDerWaalsContact O-N 3.11Å; V528-R530 PolarHBondContact O-N 3.37Å; R530-R533 PolarHBondContact O-N 3.44Å; R530-V534 WeakPolarHBondContact O-CG2 3.34Å; R530-V534 PolarHBondContact O-N 3.33Å; R530-V534 VanDerWaalsContact O-N 3.09Å
531	I	79.3	Confident	79.7	Confident	109 Å²	109	91.8 Å²	91.8	56%	0.559	48%	0.477	S	S	*	.	H	α-helix	trans	-63.8	-44.5	176.7	-66.9	166.2	0	0	0	110.1	Q527 V528 R533 V534 S535	Q527-I531 WeakPolarHBondContact O-CG1 3.48Å; Q527-I531 PolarHBondContact O-N 2.79Å; V528-I531 WeakPolarHBondContact O-CB 3.47Å; V528-I531 PolarHBondContact O-N 2.97Å; I531-R533 PolarHBondContact O-N 3.31Å; I531-V534 PolarHBondContact O-N 3.42Å; I531-V534 VanDerWaalsContact O-N 3.15Å; I531-S535 PolarHBondContact O-N 2.91Å; I531-S535 PolarHBondContact O-OG 2.99Å
532	E	81.8	Confident	80.2	Confident	107 Å²	107	95.2 Å²	95.2	50%	0.5	49%	0.489	S	S	.	.	H	α-helix	trans	-57.3	-47.2	176.3	-73.6	172.9	164	0	0	111.7	V528 V534 S535 E536	V528-E532 HydrophobicContact CG1-CG 4.46Å; V528-E532 WeakPolarHBondContact O-CG 3.33Å; V528-E532 PolarHBondContact O-N 2.67Å; E532-V534 VanDerWaalsContact C-N 3.32Å; E532-V534 PolarHBondContact O-N 3.12Å; E532-S535 WeakPolarHBondContact O-CB 3.45Å; E532-S535 PolarHBondContact O-N 2.99Å; E532-S535 VanDerWaalsContact O-N 3.12Å; E532-E536 WeakPolarHBondContact O-CG 3.33Å; E532-E536 PolarHBondContact O-N 3.03Å
533	R	82.2	Confident	80.8	Confident	145 Å²	145	99.7 Å²	99.7	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-60.4	-37.7	175.2	-81.8	-176	-82.3	171.5	-16.5	113.7	Q529 R530 I531 S537	Q529-R533 PolarHBondContact O-N 2.8Å; Q529-R533 PolarHBondContact O-NE 2.99Å; R530-R533 PolarHBondContact O-N 3.44Å; I531-R533 PolarHBondContact O-N 3.31Å; R533-S537 WeakPolarHBondContact O-CB 3.5Å; R533-S537 PolarHBondContact O-N 2.91Å; R533-S537 PolarHBondContact O-OG 2.87Å
534	V	82.5	Confident	81.4	Confident	85 Å²	85	98.3 Å²	98.3	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-68.9	-39.8	175.6	172.5	0	0	0	0	110.5	R530 I531 E532 S537 F538	R530-V534 WeakPolarHBondContact O-CG2 3.34Å; R530-V534 PolarHBondContact O-N 3.33Å; R530-V534 VanDerWaalsContact O-N 3.09Å; I531-V534 PolarHBondContact O-N 3.42Å; I531-V534 VanDerWaalsContact O-N 3.15Å; E532-V534 VanDerWaalsContact C-N 3.32Å; E532-V534 PolarHBondContact O-N 3.12Å; V534-S537 WeakPolarHBondContact O-CB 3.44Å; V534-S537 PolarHBondContact O-N 2.98Å; V534-F538 HydrophobicContact CG1-CD2 4.27Å; V534-F538 PolarHBondContact O-N 2.8Å
535	S	81.8	Confident	81.8	Confident	64 Å²	64	99.2 Å²	99.2	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-44.2	175	-64.1	0	0	0	0	112	I531 E532 S537 F538 V539	I531-S535 PolarHBondContact O-N 2.91Å; I531-S535 PolarHBondContact O-OG 2.99Å; E532-S535 WeakPolarHBondContact O-CB 3.45Å; E532-S535 PolarHBondContact O-N 2.99Å; E532-S535 VanDerWaalsContact O-N 3.12Å; S535-S537 VanDerWaalsContact C-N 3.31Å; S535-S537 PolarHBondContact O-N 3.09Å; S535-F538 WeakPolarHBondContact O-CB 3.15Å; S535-F538 PolarHBondContact O-N 2.9Å; S535-F538 VanDerWaalsContact O-N 3.12Å; S535-V539 WeakPolarHBondContact O-CG2 3.48Å; S535-V539 PolarHBondContact O-N 3.08Å
536	E	85.6	Confident	82.2	Confident	132 Å²	132	98.8 Å²	98.8	62%	0.617	51%	0.512	S	S	*	.	H	α-helix	trans	-60.1	-42	173.9	-72.6	173.1	175.5	0	0	111.7	E532 F538 V539 S540	E532-E536 WeakPolarHBondContact O-CG 3.33Å; E532-E536 PolarHBondContact O-N 3.03Å; E536-F538 VanDerWaalsContact C-N 3.29Å; E536-F538 PolarHBondContact O-N 2.88Å; E536-V539 PolarHBondContact O-N 2.84Å; E536-S540 PolarHBondContact O-N 2.91Å
537	S	84.6	Confident	82.8	Confident	69 Å²	69	97.9 Å²	97.9	48%	0.483	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-35.5	175.1	-56.2	0	0	0	0	111.9	R533 V534 S535 L541	R533-S537 WeakPolarHBondContact O-CB 3.5Å; R533-S537 PolarHBondContact O-N 2.91Å; R533-S537 PolarHBondContact O-OG 2.87Å; V534-S537 WeakPolarHBondContact O-CB 3.44Å; V534-S537 PolarHBondContact O-N 2.98Å; S535-S537 VanDerWaalsContact C-N 3.31Å; S535-S537 PolarHBondContact O-N 3.09Å; S537-L541 WeakPolarHBondContact O-CB 3.48Å; S537-L541 PolarHBondContact O-N 3.47Å
538	F	80.1	Confident	83.5	Confident	133 Å²	133	97 Å²	97	58%	0.583	52%	0.515	S	S	*	.	H	α-helix	trans	-65.6	-45.4	175.3	-114.3	-79.5	0	0	0	112	V534 S535 E536 L541 E542	V534-F538 HydrophobicContact CG1-CD2 4.27Å; V534-F538 PolarHBondContact O-N 2.8Å; S535-F538 WeakPolarHBondContact O-CB 3.15Å; S535-F538 PolarHBondContact O-N 2.9Å; S535-F538 VanDerWaalsContact O-N 3.12Å; E536-F538 VanDerWaalsContact C-N 3.29Å; E536-F538 PolarHBondContact O-N 2.88Å; F538-L541 WeakPolarHBondContact O-CB 3.5Å; F538-L541 PolarHBondContact O-N 3.23Å; F538-E542 PolarHBondContact O-N 3.02Å
539	V	83.5	Confident	83.9	Confident	79 Å²	79	102.4 Å²	102.4	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-46.3	176	175.4	0	0	0	0	110.3	S535 E536 L541 E542 D543	S535-V539 WeakPolarHBondContact O-CG2 3.48Å; S535-V539 PolarHBondContact O-N 3.08Å; E536-V539 PolarHBondContact O-N 2.84Å; V539-L541 VanDerWaalsContact C-N 3.27Å; V539-L541 PolarHBondContact O-N 2.9Å; V539-E542 PolarHBondContact O-N 3.36Å; V539-E542 VanDerWaalsContact O-N 3.14Å; V539-D543 PolarHBondContact O-N 2.58Å
540	S	86.4	Confident	84.3	Confident	80 Å²	80	102.8 Å²	102.8	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-61.6	-34.2	176.1	176.4	0	0	0	0	113.2	E536 G544	E536-S540 PolarHBondContact O-N 2.91Å; S540-G544 PolarHBondContact O-N 2.75Å
541	L	86.8	Confident	84.9	Confident	113 Å²	113	100.8 Å²	100.8	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-69.5	-40	174.1	-101.5	154.3	0	0	0	112.3	S537 F538 V539 G544 C545	S537-L541 WeakPolarHBondContact O-CB 3.48Å; S537-L541 PolarHBondContact O-N 3.47Å; F538-L541 WeakPolarHBondContact O-CB 3.5Å; F538-L541 PolarHBondContact O-N 3.23Å; V539-L541 VanDerWaalsContact C-N 3.27Å; V539-L541 PolarHBondContact O-N 2.9Å; L541-G544 PolarHBondContact O-N 2.93Å; L541-C545 WeakPolarHBondContact O-CB 3.45Å; L541-C545 PolarHBondContact O-N 3.36Å; L541-C545 PolarHBondContact O-SG 3.06Å
542	E	82.5	Confident	85.3	Confident	130 Å²	130	100.3 Å²	100.3	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-45.3	174.8	-76.7	-173.3	159.3	0	0	111.3	F538 V539 G544 C545 A546	F538-E542 PolarHBondContact O-N 3.02Å; V539-E542 PolarHBondContact O-N 3.36Å; V539-E542 VanDerWaalsContact O-N 3.14Å; E542-G544 PolarHBondContact O-N 3.34Å; E542-C545 WeakPolarHBondContact O-CB 3.23Å; E542-C545 PolarHBondContact O-N 3.03Å; E542-C545 VanDerWaalsContact O-N 3.14Å; E542-A546 PolarHBondContact O-N 3.14Å
543	D	84.6	Confident	85.6	Confident	99 Å²	99	98.4 Å²	98.4	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-60.1	-45.9	175	-69.2	-20.9	0	0	0	111	V539 C545 A546 D547	V539-D543 PolarHBondContact O-N 2.58Å; D543-C545 VanDerWaalsContact C-N 3.27Å; D543-C545 PolarHBondContact O-N 2.84Å; D543-A546 WeakPolarHBondContact O-CB 3.46Å; D543-A546 PolarHBondContact O-N 3.42Å; D543-A546 VanDerWaalsContact O-N 3.12Å; D543-D547 PolarHBondContact O-N 3.25Å
544	G	88.7	Confident	85.9	Confident	31 Å²	31	97 Å²	97	32%	0.32	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-32.9	175.6	0	0	0	0	0	113.6	S540 L541 E542 L548	S540-G544 PolarHBondContact O-N 2.75Å; L541-G544 PolarHBondContact O-N 2.93Å; E542-G544 PolarHBondContact O-N 3.34Å; G544-L548 WeakPolarHBondContact O-CB 3.16Å; G544-L548 PolarHBondContact O-N 3.44Å
545	C	85.1	Confident	86.3	Confident	68 Å²	68	97.3 Å²	97.3	46%	0.459	53%	0.53	S	S	.	.	H	α-helix	trans	-72.6	-33.7	174.7	-71.3	0	0	0	0	112.4	L541 E542 D543 R549	L541-C545 WeakPolarHBondContact O-CB 3.45Å; L541-C545 PolarHBondContact O-N 3.36Å; L541-C545 PolarHBondContact O-SG 3.06Å; E542-C545 WeakPolarHBondContact O-CB 3.23Å; E542-C545 PolarHBondContact O-N 3.03Å; E542-C545 VanDerWaalsContact O-N 3.14Å; D543-C545 VanDerWaalsContact C-N 3.27Å; D543-C545 PolarHBondContact O-N 2.84Å; C545-R549 WeakPolarHBondContact O-CB 3.46Å; C545-R549 PolarHBondContact O-N 3.33Å
546	A	82.9	Confident	86.6	Confident	46 Å²	46	100.6 Å²	100.6	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-49	172.9	0	0	0	0	0	110.5	E542 D543 L548 R549 D550	E542-A546 PolarHBondContact O-N 3.14Å; D543-A546 WeakPolarHBondContact O-CB 3.46Å; D543-A546 PolarHBondContact O-N 3.42Å; D543-A546 VanDerWaalsContact O-N 3.12Å; A546-L548 VanDerWaalsContact C-N 3.3Å; A546-L548 PolarHBondContact O-N 3.3Å; A546-R549 WeakPolarHBondContact O-CB 3.47Å; A546-R549 PolarHBondContact O-N 2.97Å; A546-D550 PolarHBondContact O-N 2.98Å
547	D	88.6	Confident	86.7	Confident	99 Å²	99	99.7 Å²	99.7	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-57.8	-41.8	175.9	-79.6	-2.3	0	0	0	112.5	D543 D550 K551	D543-D547 PolarHBondContact O-N 3.25Å; D547-D550 PolarHBondContact O-N 3.45Å; D547-K551 WeakPolarHBondContact O-CG 3.39Å; D547-K551 PolarHBondContact O-N 2.84Å
548	L	90.3	Very high	86.9	Confident	107 Å²	107	99.7 Å²	99.7	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-64.3	-40.6	175.3	-89.9	162.1	0	0	0	112	G544 A546 D550 K551 V552	G544-L548 WeakPolarHBondContact O-CB 3.16Å; G544-L548 PolarHBondContact O-N 3.44Å; A546-L548 VanDerWaalsContact C-N 3.3Å; A546-L548 PolarHBondContact O-N 3.3Å; L548-D550 VanDerWaalsContact C-N 3.3Å; L548-D550 PolarHBondContact O-N 2.97Å; L548-K551 PolarHBondContact O-N 3.32Å; L548-V552 WeakPolarHBondContact O-CB 3.43Å; L548-V552 VanDerWaalsContact O-CG2 3.25Å; L548-V552 WeakPolarHBondContact O-CG2 3.37Å; L548-V552 PolarHBondContact O-N 3.05Å
549	R	85.6	Confident	87.2	Confident	189 Å²	189	96.5 Å²	96.5	71%	0.713	52%	0.516	S	S	*	.	H	α-helix	trans	-63.2	-40.1	177.8	-171.5	-177.4	-65.1	172.9	1.8	111.2	C545 A546 V552 S553	C545-R549 WeakPolarHBondContact O-CB 3.46Å; C545-R549 PolarHBondContact O-N 3.33Å; A546-R549 WeakPolarHBondContact O-CB 3.47Å; A546-R549 PolarHBondContact O-N 2.97Å; R549-V552 PolarHBondContact O-N 2.9Å; R549-S553 WeakPolarHBondContact O-CB 3.21Å; R549-S553 PolarHBondContact O-N 3.17Å; R549-S553 PolarHBondContact O-OG 3.45Å
550	D	87.8	Confident	87.4	Confident	102 Å²	102	97.2 Å²	97.2	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-41.8	177.3	-70.7	-10	0	0	0	111.4	A546 D547 L548 V552 S553 E554	A546-D550 PolarHBondContact O-N 2.98Å; D547-D550 PolarHBondContact O-N 3.45Å; L548-D550 VanDerWaalsContact C-N 3.3Å; L548-D550 PolarHBondContact O-N 2.97Å; D550-V552 PolarHBondContact O-N 3.43Å; D550-S553 PolarHBondContact O-N 3.26Å; D550-S553 PolarHBondContact O-OG 2.73Å; D550-E554 WeakPolarHBondContact O-CB 3.5Å; D550-E554 PolarHBondContact O-N 3.28Å
551	K	91.5	Very high	87.4	Confident	129 Å²	129	99.3 Å²	99.3	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-63.6	-40.8	173.3	-73.5	175.5	-176	172.9	0	112.7	D547 L548 S553 E554 V555	D547-K551 WeakPolarHBondContact O-CG 3.39Å; D547-K551 PolarHBondContact O-N 2.84Å; L548-K551 PolarHBondContact O-N 3.32Å; K551-S553 VanDerWaalsContact C-N 3.34Å; K551-E554 PolarHBondContact O-N 3.08Å; K551-V555 WeakPolarHBondContact O-CB 3.18Å; K551-V555 VanDerWaalsContact O-CG2 3.28Å; K551-V555 WeakPolarHBondContact O-CG2 3.1Å; K551-V555 PolarHBondContact O-N 3.25Å
552	V	89.2	Confident	87.4	Confident	99 Å²	99	98.7 Å²	98.7	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-66.4	-39	178.2	169.6	0	0	0	0	110.9	L548 R549 D550 V555 K556	L548-V552 WeakPolarHBondContact O-CB 3.43Å; L548-V552 VanDerWaalsContact O-CG2 3.25Å; L548-V552 WeakPolarHBondContact O-CG2 3.37Å; L548-V552 PolarHBondContact O-N 3.05Å; R549-V552 PolarHBondContact O-N 2.9Å; D550-V552 PolarHBondContact O-N 3.43Å; V552-V555 PolarHBondContact O-N 3.31Å; V552-K556 WeakPolarHBondContact O-CB 3.5Å; V552-K556 PolarHBondContact O-N 3.14Å
553	S	87.2	Confident	87.4	Confident	67 Å²	67	96.9 Å²	96.9	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-39.1	175.9	70.3	0	0	0	0	111.7	R549 D550 K551 K556 F557	R549-S553 WeakPolarHBondContact O-CB 3.21Å; R549-S553 PolarHBondContact O-N 3.17Å; R549-S553 PolarHBondContact O-OG 3.45Å; D550-S553 PolarHBondContact O-N 3.26Å; D550-S553 PolarHBondContact O-OG 2.73Å; K551-S553 VanDerWaalsContact C-N 3.34Å; S553-K556 PolarHBondContact O-N 2.9Å; S553-F557 WeakPolarHBondContact O-CB 3.4Å; S553-F557 PolarHBondContact O-N 2.95Å
554	E	89.5	Confident	87.5	Confident	117 Å²	117	97.8 Å²	97.8	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-46.4	173.5	-172.3	-177.4	-178.2	0	0	112.1	D550 K551 K556 F557 N558	D550-E554 WeakPolarHBondContact O-CB 3.5Å; D550-E554 PolarHBondContact O-N 3.28Å; K551-E554 PolarHBondContact O-N 3.08Å; E554-K556 VanDerWaalsContact C-N 3.32Å; E554-K556 PolarHBondContact O-N 3.16Å; E554-F557 PolarHBondContact O-N 3.23Å; E554-N558 WeakPolarHBondContact O-CB 3.41Å; E554-N558 PolarHBondContact O-N 3.21Å; E554-N558 PolarHBondContact O-ND2 3.05Å
555	V	89.5	Confident	87.3	Confident	91 Å²	91	104 Å²	104	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-42.7	176	169.5	0	0	0	0	110.6	K551 V552 N558 T559	K551-V555 WeakPolarHBondContact O-CB 3.18Å; K551-V555 VanDerWaalsContact O-CG2 3.28Å; K551-V555 WeakPolarHBondContact O-CG2 3.1Å; K551-V555 PolarHBondContact O-N 3.25Å; V552-V555 PolarHBondContact O-N 3.31Å; V555-N558 PolarHBondContact O-N 3.19Å; V555-T559 WeakPolarHBondContact O-CB 3.49Å; V555-T559 PolarHBondContact O-N 3.01Å; V555-T559 PolarHBondContact O-OG1 3.27Å
556	K	88.8	Confident	87.1	Confident	132 Å²	132	104.8 Å²	104.8	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-60.2	-48.4	176.6	-175.2	179.8	173.4	-173.7	0	111.1	V552 S553 E554 N558 T559 E560	V552-K556 WeakPolarHBondContact O-CB 3.5Å; V552-K556 PolarHBondContact O-N 3.14Å; S553-K556 PolarHBondContact O-N 2.9Å; E554-K556 VanDerWaalsContact C-N 3.32Å; E554-K556 PolarHBondContact O-N 3.16Å; K556-N558 PolarHBondContact O-N 3.45Å; K556-T559 PolarHBondContact O-N 3.06Å; K556-E560 WeakPolarHBondContact CE-OE1 3.47Å; K556-E560 WeakPolarHBondContact O-CG 3.31Å; K556-E560 PolarHBondContact O-N 2.93Å
557	F	87.5	Confident	86.9	Confident	114 Å²	114	107.4 Å²	107.4	50%	0.5	52%	0.519	S	S	.	.	H	α-helix	trans	-60.2	-43.2	177.1	-179.6	-102.7	0	0	0	112.3	S553 E554 T559 E560 R561	S553-F557 WeakPolarHBondContact O-CB 3.4Å; S553-F557 PolarHBondContact O-N 2.95Å; E554-F557 PolarHBondContact O-N 3.23Å; F557-T559 VanDerWaalsContact C-N 3.35Å; F557-T559 PolarHBondContact O-N 3.15Å; F557-E560 PolarHBondContact O-N 3.14Å; F557-R561 VanDerWaalsContact CE1-CD 3.4Å; F557-R561 HydrophobicContact CE1-CG 4.2Å; F557-R561 HydrophobicContact CZ-CG 4.28Å; F557-R561 WeakPolarHBondContact O-CG 3.27Å; F557-R561 PolarHBondContact O-N 3.49Å
558	N	89.3	Confident	86.6	Confident	68 Å²	68	107.6 Å²	107.6	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-38.3	176.7	-74.2	-24.3	0	0	0	112	E554 V555 K556 R561 I562	E554-N558 WeakPolarHBondContact O-CB 3.41Å; E554-N558 PolarHBondContact O-N 3.21Å; E554-N558 PolarHBondContact O-ND2 3.05Å; V555-N558 PolarHBondContact O-N 3.19Å; K556-N558 PolarHBondContact O-N 3.45Å; N558-R561 PolarHBondContact O-N 2.94Å; N558-I562 VanDerWaalsContact O-CG1 3.26Å; N558-I562 WeakPolarHBondContact O-CG1 3.41Å; N558-I562 PolarHBondContact O-N 3.49Å
559	T	86.9	Confident	85.9	Confident	66 Å²	66	107.6 Å²	107.6	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-66.6	-41.9	177.1	-49	0	0	0	0	111	V555 K556 F557 I562 N563	V555-T559 WeakPolarHBondContact O-CB 3.49Å; V555-T559 PolarHBondContact O-N 3.01Å; V555-T559 PolarHBondContact O-OG1 3.27Å; K556-T559 PolarHBondContact O-N 3.06Å; F557-T559 VanDerWaalsContact C-N 3.35Å; F557-T559 PolarHBondContact O-N 3.15Å; T559-I562 PolarHBondContact O-N 3.17Å; T559-N563 VanDerWaalsContact O-CG 3.31Å; T559-N563 PolarHBondContact O-N 2.82Å; T559-N563 PolarHBondContact O-ND2 3.11Å
560	E	87.4	Confident	85.4	Confident	95 Å²	95	105.6 Å²	105.6	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-59.8	-46.2	173.3	-73.9	170.8	-178	0	0	111	K556 F557 I562 N563 E564	K556-E560 WeakPolarHBondContact CE-OE1 3.47Å; K556-E560 WeakPolarHBondContact O-CG 3.31Å; K556-E560 PolarHBondContact O-N 2.93Å; F557-E560 PolarHBondContact O-N 3.14Å; E560-I562 PolarHBondContact O-N 3.29Å; E560-N563 WeakPolarHBondContact O-CB 3.44Å; E560-N563 PolarHBondContact O-N 2.9Å; E560-E564 WeakPolarHBondContact O-CG 3.43Å; E560-E564 PolarHBondContact O-N 3.07Å
561	R	85.5	Confident	84.7	Confident	123 Å²	123	107.2 Å²	107.2	46%	0.464	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.1	-76.6	-173.9	63.7	159.1	1.2	113.5	F557 N558 N563 E564 W565	F557-R561 VanDerWaalsContact CE1-CD 3.4Å; F557-R561 HydrophobicContact CE1-CG 4.2Å; F557-R561 HydrophobicContact CZ-CG 4.28Å; F557-R561 WeakPolarHBondContact O-CG 3.27Å; F557-R561 PolarHBondContact O-N 3.49Å; N558-R561 PolarHBondContact O-N 2.94Å; R561-N563 VanDerWaalsContact C-N 3.31Å; R561-E564 PolarHBondContact O-N 3Å; R561-W565 WeakPolarHBondContact O-CB 3.43Å; R561-W565 VanDerWaalsContact O-CD1 3.27Å; R561-W565 PolarHBondContact O-N 2.85Å
562	I	86.9	Confident	83.9	Confident	100 Å²	100	104.3 Å²	104.3	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-42.1	176.8	-70.7	165.2	0	0	0	109.8	N558 T559 E560 W565 L566	N558-I562 VanDerWaalsContact O-CG1 3.26Å; N558-I562 WeakPolarHBondContact O-CG1 3.41Å; N558-I562 PolarHBondContact O-N 3.49Å; T559-I562 PolarHBondContact O-N 3.17Å; E560-I562 PolarHBondContact O-N 3.29Å; I562-W565 PolarHBondContact O-N 2.95Å; I562-L566 HydrophobicContact CG2-CD1 3.99Å; I562-L566 HydrophobicContact CG2-CG 4.35Å; I562-L566 WeakPolarHBondContact O-CB 3.47Å; I562-L566 WeakPolarHBondContact O-CG 3.44Å; I562-L566 PolarHBondContact O-N 3.48Å
563	N	83	Confident	82.9	Confident	92 Å²	92	102.1 Å²	102.1	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-43	176.4	-73.2	-24.1	0	0	0	111.9	T559 E560 R561 W565 L566 E567	T559-N563 VanDerWaalsContact O-CG 3.31Å; T559-N563 PolarHBondContact O-N 2.82Å; T559-N563 PolarHBondContact O-ND2 3.11Å; E560-N563 WeakPolarHBondContact O-CB 3.44Å; E560-N563 PolarHBondContact O-N 2.9Å; R561-N563 VanDerWaalsContact C-N 3.31Å; N563-W565 VanDerWaalsContact C-N 3.34Å; N563-W565 PolarHBondContact O-N 3.05Å; N563-L566 PolarHBondContact O-N 3.42Å; N563-E567 WeakPolarHBondContact O-CB 3.45Å; N563-E567 PolarHBondContact O-N 3.14Å
564	E	86.5	Confident	82	Confident	118 Å²	118	102.5 Å²	102.5	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-42.9	173.7	-72.6	176.7	175.6	0	0	112	E560 R561 E567 L568	E560-E564 WeakPolarHBondContact O-CG 3.43Å; E560-E564 PolarHBondContact O-N 3.07Å; R561-E564 PolarHBondContact O-N 3Å; E564-E567 PolarHBondContact O-N 3.31Å; E564-L568 WeakPolarHBondContact O-CB 3.45Å; E564-L568 PolarHBondContact O-N 3.48Å
565	W	85.4	Confident	81	Confident	162 Å²	162	105.4 Å²	105.4	61%	0.614	52%	0.516	S	S	*	.	H	α-helix	trans	-63.9	-42.8	176.7	-94.2	72.2	0	0	0	112.4	R561 I562 N563 E567 L568 L569	R561-W565 WeakPolarHBondContact O-CB 3.43Å; R561-W565 VanDerWaalsContact O-CD1 3.27Å; R561-W565 PolarHBondContact O-N 2.85Å; I562-W565 PolarHBondContact O-N 2.95Å; N563-W565 VanDerWaalsContact C-N 3.34Å; N563-W565 PolarHBondContact O-N 3.05Å; W565-E567 VanDerWaalsContact C-N 3.34Å; W565-L568 PolarHBondContact O-N 2.89Å; W565-L569 WeakPolarHBondContact O-CB 3.4Å; W565-L569 PolarHBondContact O-N 3.36Å
566	L	80.7	Confident	79.7	Confident	84 Å²	84	106.6 Å²	106.6	44%	0.44	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-43.6	174.6	-74.2	171.4	0	0	0	110.6	I562 N563 L568 L569 F570	I562-L566 HydrophobicContact CG2-CD1 3.99Å; I562-L566 HydrophobicContact CG2-CG 4.35Å; I562-L566 WeakPolarHBondContact O-CB 3.47Å; I562-L566 WeakPolarHBondContact O-CG 3.44Å; I562-L566 PolarHBondContact O-N 3.48Å; N563-L566 PolarHBondContact O-N 3.42Å; L566-L568 PolarHBondContact O-N 2.96Å; L566-L569 PolarHBondContact O-N 3.12Å; L566-F570 WeakPolarHBondContact O-CB 3.37Å; L566-F570 VanDerWaalsContact O-CD2 3.25Å; L566-F570 WeakPolarHBondContact O-CD2 3.43Å; L566-F570 PolarHBondContact O-N 3.48Å
567	E	79	Confident	78.2	Confident	101 Å²	101	107.2 Å²	107.2	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-44	176.7	-162.8	-173	157.9	0	0	111.7	N563 E564 W565 F570 R571	N563-E567 WeakPolarHBondContact O-CB 3.45Å; N563-E567 PolarHBondContact O-N 3.14Å; E564-E567 PolarHBondContact O-N 3.31Å; W565-E567 VanDerWaalsContact C-N 3.34Å; E567-F570 PolarHBondContact O-N 3.32Å; E567-R571 WeakPolarHBondContact O-CG 3.25Å; E567-R571 PolarHBondContact O-N 2.99Å; E567-R571 IonicContact OE1-CZ 3.39Å; E567-R571 IonicContact OE1-NE 3.91Å; E567-R571 PolarHBondContact OE1-NE 3Å; E567-R571 IonicContact OE1-NH2 2.74Å; E567-R571 PolarHBondContact OE1-NH2 3.01Å
568	L	80.6	Confident	76.8	Confident	104 Å²	104	104.9 Å²	104.9	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-45.4	174.3	-92.1	155.8	0	0	0	112.2	E564 W565 L566 R571 C572	E564-L568 WeakPolarHBondContact O-CB 3.45Å; E564-L568 PolarHBondContact O-N 3.48Å; W565-L568 PolarHBondContact O-N 2.89Å; L566-L568 PolarHBondContact O-N 2.96Å; L568-R571 PolarHBondContact O-N 3.43Å; L568-C572 WeakPolarHBondContact O-CB 3.47Å; L568-C572 PolarHBondContact O-N 2.99Å; L568-C572 PolarHBondContact O-SG 3.4Å; L568-C572 VanDerWaalsContact O-SG 3.33Å
569	L	77	Confident	75.4	Confident	106 Å²	106	106.4 Å²	106.4	56%	0.555	54%	0.543	S	S	*	.	H	α-helix	trans	-60.2	-44.9	175.7	-94.7	160.3	0	0	0	111.4	W565 L566 C572 A573	W565-L569 WeakPolarHBondContact O-CB 3.4Å; W565-L569 PolarHBondContact O-N 3.36Å; L566-L569 PolarHBondContact O-N 3.12Å; L569-C572 PolarHBondContact O-N 3.41Å; L569-A573 WeakPolarHBondContact O-CB 3.28Å; L569-A573 PolarHBondContact O-N 2.85Å
570	F	73.8	Confident	74.1	Confident	147 Å²	147	111.7 Å²	111.7	65%	0.645	56%	0.562	S	S	*	*	H	α-helix	trans	-60.4	-47.8	174.7	-91.5	-70.4	0	0	0	111.5	L566 E567 C572 A573 C574	L566-F570 WeakPolarHBondContact O-CB 3.37Å; L566-F570 VanDerWaalsContact O-CD2 3.25Å; L566-F570 WeakPolarHBondContact O-CD2 3.43Å; L566-F570 PolarHBondContact O-N 3.48Å; E567-F570 PolarHBondContact O-N 3.32Å; F570-C572 VanDerWaalsContact C-N 3.31Å; F570-C572 PolarHBondContact O-N 3.46Å; F570-A573 PolarHBondContact O-N 2.95Å; F570-C574 PolarHBondContact O-N 2.66Å; F570-C574 PolarHBondContact O-SG 2.93Å
571	R	72.8	Confident	72.9	Confident	136 Å²	136	110.6 Å²	110.6	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-59.4	-40.8	176.4	-73.5	-179.9	-174.4	-147.2	3.8	112	E567 L568 K575	E567-R571 WeakPolarHBondContact O-CG 3.25Å; E567-R571 PolarHBondContact O-N 2.99Å; E567-R571 IonicContact OE1-CZ 3.39Å; E567-R571 IonicContact OE1-NE 3.91Å; E567-R571 PolarHBondContact OE1-NE 3Å; E567-R571 IonicContact OE1-NH2 2.74Å; E567-R571 PolarHBondContact OE1-NH2 3.01Å; L568-R571 PolarHBondContact O-N 3.43Å; R571-K575 PolarHBondContact O-N 3.03Å
572	C	74.8	Confident	72.2	Confident	68 Å²	68	108.5 Å²	108.5	46%	0.459	56%	0.556	S	S	.	*	H	α-helix	trans	-68.6	-43.5	177.4	-74.6	0	0	0	0	112.3	L568 L569 F570 C574 K575 V576	L568-C572 WeakPolarHBondContact O-CB 3.47Å; L568-C572 PolarHBondContact O-N 2.99Å; L568-C572 PolarHBondContact O-SG 3.4Å; L568-C572 VanDerWaalsContact O-SG 3.33Å; L569-C572 PolarHBondContact O-N 3.41Å; F570-C572 VanDerWaalsContact C-N 3.31Å; F570-C572 PolarHBondContact O-N 3.46Å; C572-C574 VanDerWaalsContact C-N 3.32Å; C572-C574 PolarHBondContact O-N 3.36Å; C572-K575 PolarHBondContact O-N 2.87Å; C572-K575 VanDerWaalsContact O-N 3.13Å; C572-V576 WeakPolarHBondContact O-CG2 3.5Å; C572-V576 PolarHBondContact O-N 3.39Å
573	A	69.3	Low	71.5	Confident	53 Å²	53	113 Å²	113	44%	0.438	57%	0.572	S	S	.	*	H	α-helix	trans	-59.9	-43.2	176.8	0	0	0	0	0	111.4	L569 F570 K575 V576 H577	L569-A573 WeakPolarHBondContact O-CB 3.28Å; L569-A573 PolarHBondContact O-N 2.85Å; F570-A573 PolarHBondContact O-N 2.95Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 3.33Å; A573-V576 PolarHBondContact O-N 2.93Å; A573-H577 PolarHBondContact O-N 3.29Å; A573-H577 VanDerWaalsContact O-N 3.16Å
574	C	67.8	Low	71.1	Confident	76 Å²	76	111.6 Å²	111.6	51%	0.514	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-36.8	174.9	-66.3	0	0	0	0	112.7	F570 C572	F570-C574 PolarHBondContact O-N 2.66Å; F570-C574 PolarHBondContact O-SG 2.93Å; C572-C574 VanDerWaalsContact C-N 3.32Å; C572-C574 PolarHBondContact O-N 3.36Å
575	K	67.9	Low	70.2	Confident	178 Å²	178	109.6 Å²	109.6	77%	0.774	56%	0.564	S	S	*	*	H	α-helix	trans	-72.2	-38.7	176.9	-79.2	-178.2	177.7	-179.6	0	113.6	R571 C572 A573	R571-K575 PolarHBondContact O-N 3.03Å; C572-K575 PolarHBondContact O-N 2.87Å; C572-K575 VanDerWaalsContact O-N 3.13Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 3.33Å
576	V	63.6	Low	69.5	Low	116 Å²	116	109.5 Å²	109.5	70%	0.703	56%	0.563	S	S	*	*	H	α-helix	trans	-77.5	-29.1	-174.8	173.7	0	0	0	0	112.1	C572 A573	C572-V576 WeakPolarHBondContact O-CG2 3.5Å; C572-V576 PolarHBondContact O-N 3.39Å; A573-V576 PolarHBondContact O-N 2.93Å
577	H	57.5	Low	69.4	Low	144 Å²	144	108.6 Å²	108.6	67%	0.667	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	3.6	-177.3	-81.1	21.7	0	0	0	115.5	A573 I579	A573-H577 PolarHBondContact O-N 3.29Å; A573-H577 VanDerWaalsContact O-N 3.16Å; H577-I579 HydrophobicContact CB-CD1 3.94Å; H577-I579 HydrophobicContact CB-CG1 3.8Å; H577-I579 PolarHBondContact O-N 3.43Å
578	G	57.4	Low	69.2	Low	65 Å²	65	109.5 Å²	109.5	67%	0.67	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.7	31	175	0	0	0	0	0	113.4	E580	G578-E580 PolarHBondContact O-N 3.35Å
579	I	59.8	Low	68.9	Low	101 Å²	101	108 Å²	108	52%	0.518	56%	0.56	S	S	.	*			trans	-71.2	114.1	-177.6	-59.5	172	0	0	0	106.9	H577 M581	H577-I579 HydrophobicContact CB-CD1 3.94Å; H577-I579 HydrophobicContact CB-CG1 3.8Å; H577-I579 PolarHBondContact O-N 3.43Å; I579-M581 PolarHBondContact O-N 2.85Å; I579-M581 VanDerWaalsContact O-N 3.14Å
580	E	59.1	Low	68.9	Low	176 Å²	176	105.6 Å²	105.6	82%	0.822	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-60.1	118	174	-74.2	-167	159.7	0	0	109.4	G578 N582	G578-E580 PolarHBondContact O-N 3.35Å; E580-N582 PolarHBondContact O-N 3.4Å
581	M	63.1	Low	69.3	Low	72 Å²	72	103.9 Å²	103.9	36%	0.355	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-61.4	123.9	-174.5	-63	-168.9	75.6	0	0	111	I579 E585 R586 L589	I579-M581 PolarHBondContact O-N 2.85Å; I579-M581 VanDerWaalsContact O-N 3.14Å; M581-E585 WeakPolarHBondContact CA-OE2 3.43Å; M581-E585 HydrophobicContact CB-CB 4.2Å; M581-E585 HydrophobicContact CE-CB 3.61Å; M581-R586 HydrophobicContact CB-CG 4.08Å; M581-R586 PolarHBondContact O-NE 3.49Å; M581-R586 VanDerWaalsContact O-NE 3.14Å; M581-R586 PolarHBondContact O-NH2 3.33Å; M581-L589 HydrophobicContact CE-CD1 3.22Å; M581-L589 HydrophobicContact CE-CG 3.79Å; M581-L589 HydrophobicContact SD-CD1 3.33Å; M581-L589 WeakPolarHBondContact SD-CD1 3.37Å; M581-L589 HydrophobicContact SD-CG 4.49Å
582	N	71.2	Confident	69.5	Low	79 Å²	79	100.7 Å²	100.7	42%	0.422	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-68.5	166.2	177.8	75.2	43.1	0	0	0	110.5	E580 A584 E585 R586	E580-N582 PolarHBondContact O-N 3.4Å; N582-A584 PolarHBondContact O-N 2.93Å; N582-A584 WeakPolarHBondContact OD1-CA 3.4Å; N582-A584 WeakPolarHBondContact OD1-CB 3.42Å; N582-A584 PolarHBondContact OD1-N 2.97Å; N582-E585 PolarHBondContact N-OE2 2.86Å; N582-E585 VanDerWaalsContact ND2-CD 3.27Å; N582-E585 PolarHBondContact ND2-OE1 2.94Å; N582-E585 PolarHBondContact O-N 3.37Å; N582-E585 VanDerWaalsContact O-N 3.12Å; N582-E585 WeakPolarHBondContact OD1-CG 3.4Å; N582-E585 PolarHBondContact OD1-N 2.95Å; N582-R586 PolarHBondContact O-N 3.29Å; N582-R586 VanDerWaalsContact O-N 3.07Å
583	K	72.2	Confident	69.7	Low	196 Å²	196	103.1 Å²	103.1	85%	0.852	55%	0.545	S	S	*	.	H	α-helix	trans	-60.7	-30.9	-175.6	-153.6	178.8	-175.5	-179.1	0	112.9	S587	K583-S587 PolarHBondContact O-N 2.9Å
584	A	72.7	Confident	70.4	Confident	61 Å²	61	107.4 Å²	107.4	50%	0.504	55%	0.551	S	S	.	*	H	α-helix	trans	-73.2	-38.3	177.2	0	0	0	0	0	111.7	N582 S587 H588	N582-A584 PolarHBondContact O-N 2.93Å; N582-A584 WeakPolarHBondContact OD1-CA 3.4Å; N582-A584 WeakPolarHBondContact OD1-CB 3.42Å; N582-A584 PolarHBondContact OD1-N 2.97Å; A584-S587 PolarHBondContact O-N 3.47Å; A584-H588 PolarHBondContact O-N 3.21Å
585	E	68.5	Low	70.9	Confident	76 Å²	76	110.8 Å²	110.8	36%	0.355	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-38.9	177.1	-70.6	166.3	175.4	0	0	112.1	M581 N582 S587 H588 L589	M581-E585 WeakPolarHBondContact CA-OE2 3.43Å; M581-E585 HydrophobicContact CB-CB 4.2Å; M581-E585 HydrophobicContact CE-CB 3.61Å; N582-E585 PolarHBondContact N-OE2 2.86Å; N582-E585 VanDerWaalsContact ND2-CD 3.27Å; N582-E585 PolarHBondContact ND2-OE1 2.94Å; N582-E585 PolarHBondContact O-N 3.37Å; N582-E585 VanDerWaalsContact O-N 3.12Å; N582-E585 WeakPolarHBondContact OD1-CG 3.4Å; N582-E585 PolarHBondContact OD1-N 2.95Å; E585-S587 VanDerWaalsContact C-N 3.33Å; E585-S587 PolarHBondContact O-N 3.44Å; E585-H588 PolarHBondContact O-N 3.49Å; E585-L589 PolarHBondContact O-N 3.45Å
586	R	71.2	Confident	71.5	Confident	160 Å²	160	107.7 Å²	107.7	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-38.8	172	-64.6	-175.3	-154.9	-174.5	2	112.2	M581 N582 H588 L589 A590	M581-R586 HydrophobicContact CB-CG 4.08Å; M581-R586 PolarHBondContact O-NE 3.49Å; M581-R586 VanDerWaalsContact O-NE 3.14Å; M581-R586 PolarHBondContact O-NH2 3.33Å; N582-R586 PolarHBondContact O-N 3.29Å; N582-R586 VanDerWaalsContact O-N 3.07Å; R586-H588 VanDerWaalsContact C-N 3.33Å; R586-L589 PolarHBondContact O-N 2.92Å; R586-A590 PolarHBondContact O-N 3.2Å
587	S	77.5	Confident	72.4	Confident	66 Å²	66	109 Å²	109	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-66.8	-36.3	174.4	-177.9	0	0	0	0	112	K583 A584 E585 K591	K583-S587 PolarHBondContact O-N 2.9Å; A584-S587 PolarHBondContact O-N 3.47Å; E585-S587 VanDerWaalsContact C-N 3.33Å; E585-S587 PolarHBondContact O-N 3.44Å; S587-K591 PolarHBondContact O-N 3.39Å; S587-K591 VanDerWaalsContact O-N 3.11Å
588	H	75.5	Confident	73.6	Confident	120 Å²	120	104.8 Å²	104.8	56%	0.556	53%	0.527	S	S	*	.	H	α-helix	trans	-67.6	-42.2	174	-100.9	-73.7	0	0	0	112.3	A584 E585 R586 K591 I592	A584-H588 PolarHBondContact O-N 3.21Å; E585-H588 PolarHBondContact O-N 3.49Å; R586-H588 VanDerWaalsContact C-N 3.33Å; H588-K591 WeakPolarHBondContact O-CB 3.45Å; H588-K591 PolarHBondContact O-N 3.21Å; H588-I592 WeakPolarHBondContact O-CG1 3.1Å; H588-I592 PolarHBondContact O-N 3.37Å
589	L	74.2	Confident	74.6	Confident	72 Å²	72	104.6 Å²	104.6	38%	0.377	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-45	173.4	-91.5	177.2	0	0	0	112.2	M581 E585 R586 K591 I592 E593	M581-L589 HydrophobicContact CE-CD1 3.22Å; M581-L589 HydrophobicContact CE-CG 3.79Å; M581-L589 HydrophobicContact SD-CD1 3.33Å; M581-L589 WeakPolarHBondContact SD-CD1 3.37Å; M581-L589 HydrophobicContact SD-CG 4.49Å; E585-L589 PolarHBondContact O-N 3.45Å; R586-L589 PolarHBondContact O-N 2.92Å; L589-K591 VanDerWaalsContact C-N 3.25Å; L589-K591 PolarHBondContact O-N 2.82Å; L589-I592 WeakPolarHBondContact O-CB 3.24Å; L589-I592 PolarHBondContact O-N 2.95Å; L589-E593 PolarHBondContact O-N 2.94Å
590	A	77.9	Confident	75.7	Confident	56 Å²	56	102.4 Å²	102.4	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-61.1	-35.5	176.5	0	0	0	0	0	112.2	R586 Y594	R586-A590 PolarHBondContact O-N 3.2Å; A590-Y594 WeakPolarHBondContact O-CB 3.48Å; A590-Y594 PolarHBondContact O-N 2.96Å; A590-Y594 VanDerWaalsContact O-N 3.08Å
591	K	80.7	Confident	76.9	Confident	110 Å²	110	98.6 Å²	98.6	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-41.4	171.4	-78.7	-178.6	-179.2	177.1	0	112	S587 H588 L589 Y594 Y595	S587-K591 PolarHBondContact O-N 3.39Å; S587-K591 VanDerWaalsContact O-N 3.11Å; H588-K591 WeakPolarHBondContact O-CB 3.45Å; H588-K591 PolarHBondContact O-N 3.21Å; L589-K591 VanDerWaalsContact C-N 3.25Å; L589-K591 PolarHBondContact O-N 2.82Å; K591-Y594 PolarHBondContact O-N 3.46Å; K591-Y595 HydrophobicContact CB-CD2 4.46Å; K591-Y595 HydrophobicContact CB-CE2 4.19Å; K591-Y595 WeakPolarHBondContact O-CD2 3.26Å; K591-Y595 PolarHBondContact O-N 2.78Å
592	I	78.1	Confident	77.8	Confident	70 Å²	70	99.5 Å²	99.5	36%	0.359	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-48.3	177.3	-69	166.4	0	0	0	110.1	H588 L589 Y594 Y595 E596	H588-I592 WeakPolarHBondContact O-CG1 3.1Å; H588-I592 PolarHBondContact O-N 3.37Å; L589-I592 WeakPolarHBondContact O-CB 3.24Å; L589-I592 PolarHBondContact O-N 2.95Å; I592-Y594 VanDerWaalsContact C-N 3.32Å; I592-Y594 PolarHBondContact O-N 3.47Å; I592-Y595 CarbonylContact O-C 3.58Å; I592-Y595 PolarHBondContact O-N 2.96Å; I592-Y595 VanDerWaalsContact O-N 3.08Å; I592-E596 HydrophobicContact CG2-CG 4.33Å; I592-E596 WeakPolarHBondContact O-CG 3.49Å; I592-E596 PolarHBondContact O-N 3.31Å
593	E	78.3	Confident	78.2	Confident	119 Å²	119	97.1 Å²	97.1	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-59.7	-41.1	177	-73.8	179.2	173.7	0	0	112.1	L589 E596 Q597	L589-E593 PolarHBondContact O-N 2.94Å; E593-E596 PolarHBondContact O-N 3.24Å; E593-Q597 PolarHBondContact O-N 3.4Å
594	Y	83.9	Confident	78.8	Confident	142 Å²	142	92.6 Å²	92.6	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-60.2	-45.7	172.8	175.7	-100.8	0	0	0	111.7	A590 K591 I592 Q597 C598	A590-Y594 WeakPolarHBondContact O-CB 3.48Å; A590-Y594 PolarHBondContact O-N 2.96Å; A590-Y594 VanDerWaalsContact O-N 3.08Å; K591-Y594 PolarHBondContact O-N 3.46Å; I592-Y594 VanDerWaalsContact C-N 3.32Å; I592-Y594 PolarHBondContact O-N 3.47Å; Y594-Q597 PolarHBondContact O-N 2.87Å; Y594-C598 PolarHBondContact O-N 3.23Å; Y594-C598 PolarHBondContact O-SG 3.3Å; Y594-C598 VanDerWaalsContact O-SG 3.38Å
595	Y	78.7	Confident	79.3	Confident	147 Å²	147	97 Å²	97	58%	0.576	49%	0.49	S	S	*	.	H	α-helix	trans	-67.6	-34.6	177.6	-69.4	-49.9	0	0	0	112.9	K591 I592 C598 A599	K591-Y595 HydrophobicContact CB-CD2 4.46Å; K591-Y595 HydrophobicContact CB-CE2 4.19Å; K591-Y595 WeakPolarHBondContact O-CD2 3.26Å; K591-Y595 PolarHBondContact O-N 2.78Å; I592-Y595 CarbonylContact O-C 3.58Å; I592-Y595 PolarHBondContact O-N 2.96Å; I592-Y595 VanDerWaalsContact O-N 3.08Å; Y595-C598 PolarHBondContact O-N 3.07Å; Y595-A599 VanDerWaalsContact O-CB 3.28Å; Y595-A599 WeakPolarHBondContact O-CB 3.48Å; Y595-A599 PolarHBondContact O-N 2.88Å
596	E	81.1	Confident	79.8	Confident	114 Å²	114	97.6 Å²	97.6	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-40.7	173.6	-75.1	-178.5	171.4	0	0	111.4	I592 E593 A599 A600	I592-E596 HydrophobicContact CG2-CG 4.33Å; I592-E596 WeakPolarHBondContact O-CG 3.49Å; I592-E596 PolarHBondContact O-N 3.31Å; E593-E596 PolarHBondContact O-N 3.24Å; E596-A599 PolarHBondContact O-N 3.33Å; E596-A600 PolarHBondContact O-N 2.94Å
597	Q	82.6	Confident	80.4	Confident	144 Å²	144	96.7 Å²	96.7	67%	0.673	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-46	172.1	-77.6	-176.9	-7.1	0	0	112.2	E593 Y594 A599 A600 D601	E593-Q597 PolarHBondContact O-N 3.4Å; Y594-Q597 PolarHBondContact O-N 2.87Å; Q597-A599 VanDerWaalsContact C-N 3.29Å; Q597-A599 PolarHBondContact O-N 2.85Å; Q597-A600 PolarHBondContact O-N 3.39Å; Q597-D601 PolarHBondContact O-N 3.35Å
598	C	81.3	Confident	80.5	Confident	55 Å²	55	96.6 Å²	96.6	37%	0.372	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-38.6	175.5	-69.2	0	0	0	0	112.1	Y594 Y595 D601 L602	Y594-C598 PolarHBondContact O-N 3.23Å; Y594-C598 PolarHBondContact O-SG 3.3Å; Y594-C598 VanDerWaalsContact O-SG 3.38Å; Y595-C598 PolarHBondContact O-N 3.07Å; C598-D601 PolarHBondContact O-N 3.32Å; C598-L602 WeakPolarHBondContact O-CB 3.38Å; C598-L602 PolarHBondContact O-N 2.83Å
599	A	79	Confident	80.7	Confident	60 Å²	60	94 Å²	94	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-66.5	-38.6	177	0	0	0	0	0	111.8	Y595 E596 Q597 L602 G603	Y595-A599 VanDerWaalsContact O-CB 3.28Å; Y595-A599 WeakPolarHBondContact O-CB 3.48Å; Y595-A599 PolarHBondContact O-N 2.88Å; E596-A599 PolarHBondContact O-N 3.33Å; Q597-A599 VanDerWaalsContact C-N 3.29Å; Q597-A599 PolarHBondContact O-N 2.85Å; A599-L602 PolarHBondContact O-N 3.47Å; A599-G603 PolarHBondContact O-N 3.25Å
600	A	82.6	Confident	80.7	Confident	56 Å²	56	96.5 Å²	96.5	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-43.9	174.6	0	0	0	0	0	112	E596 Q597 G603 N604	E596-A600 PolarHBondContact O-N 2.94Å; Q597-A600 PolarHBondContact O-N 3.39Å; A600-G603 PolarHBondContact O-N 3.44Å; A600-N604 PolarHBondContact O-N 3.49Å; A600-N604 VanDerWaalsContact O-N 3.11Å; A600-N604 PolarHBondContact O-ND2 3.43Å
601	D	84.3	Confident	80.8	Confident	96 Å²	96	96.8 Å²	96.8	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-45	174.9	-175	58.1	0	0	0	111.7	Q597 C598 G603 N604 R605	Q597-D601 PolarHBondContact O-N 3.35Å; C598-D601 PolarHBondContact O-N 3.32Å; D601-G603 VanDerWaalsContact C-N 3.34Å; D601-G603 PolarHBondContact O-N 2.85Å; D601-N604 WeakPolarHBondContact O-CB 3.47Å; D601-N604 PolarHBondContact O-N 2.81Å; D601-R605 WeakPolarHBondContact O-CG 3.46Å; D601-R605 PolarHBondContact O-N 3.42Å
602	L	81.8	Confident	80.8	Confident	91 Å²	91	93.7 Å²	93.7	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.4	-166.3	73.7	0	0	0	111.9	C598 A599 N604 R605 I606	C598-L602 WeakPolarHBondContact O-CB 3.38Å; C598-L602 PolarHBondContact O-N 2.83Å; A599-L602 PolarHBondContact O-N 3.47Å; L602-N604 VanDerWaalsContact C-N 3.28Å; L602-N604 PolarHBondContact O-N 3.42Å; L602-R605 WeakPolarHBondContact O-CB 3.39Å; L602-R605 PolarHBondContact O-N 2.94Å; L602-R605 VanDerWaalsContact O-N 3.11Å; L602-I606 HydrophobicContact CD2-CD1 4.48Å; L602-I606 HydrophobicContact CG-CD1 4.23Å; L602-I606 WeakPolarHBondContact O-CG1 3.47Å; L602-I606 PolarHBondContact O-N 3.35Å
603	G	80.8	Confident	80.5	Confident	28 Å²	28	96 Å²	96	29%	0.289	51%	0.513	S	S	.	.	H	α-helix	trans	-59.2	-38.5	175.5	0	0	0	0	0	112.5	A599 A600 D601 I606 K607	A599-G603 PolarHBondContact O-N 3.25Å; A600-G603 PolarHBondContact O-N 3.44Å; D601-G603 VanDerWaalsContact C-N 3.34Å; D601-G603 PolarHBondContact O-N 2.85Å; G603-I606 PolarHBondContact O-N 3.38Å; G603-K607 WeakPolarHBondContact O-CG 3.47Å; G603-K607 PolarHBondContact O-N 3.2Å; G603-K607 VanDerWaalsContact O-N 3.1Å
604	N	84.2	Confident	80.2	Confident	101 Å²	101	93.7 Å²	93.7	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-40.6	173.9	-67.1	-29.3	0	0	0	111.9	A600 D601 L602 K607 A608	A600-N604 PolarHBondContact O-N 3.49Å; A600-N604 VanDerWaalsContact O-N 3.11Å; A600-N604 PolarHBondContact O-ND2 3.43Å; D601-N604 WeakPolarHBondContact O-CB 3.47Å; D601-N604 PolarHBondContact O-N 2.81Å; L602-N604 VanDerWaalsContact C-N 3.28Å; L602-N604 PolarHBondContact O-N 3.42Å; N604-K607 PolarHBondContact O-N 3.05Å; N604-A608 PolarHBondContact O-N 3.42Å
605	R	83.1	Confident	79.5	Confident	155 Å²	155	93.7 Å²	93.7	59%	0.585	52%	0.523	S	S	*	.	H	α-helix	trans	-66.1	-37.5	176.2	-68.4	175.5	61.6	-167.3	-2.4	112.9	D601 L602 A608 S609	D601-R605 WeakPolarHBondContact O-CG 3.46Å; D601-R605 PolarHBondContact O-N 3.42Å; L602-R605 WeakPolarHBondContact O-CB 3.39Å; L602-R605 PolarHBondContact O-N 2.94Å; L602-R605 VanDerWaalsContact O-N 3.11Å; R605-A608 PolarHBondContact O-N 3.41Å; R605-S609 WeakPolarHBondContact O-CB 3.34Å; R605-S609 PolarHBondContact O-N 3Å; R605-S609 PolarHBondContact O-OG 3.36Å
606	I	79.9	Confident	78.9	Confident	88 Å²	88	93.7 Å²	93.7	45%	0.451	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-48.6	175	-70	168.5	0	0	0	109.8	L602 G603 A608 S609 E610	L602-I606 HydrophobicContact CD2-CD1 4.48Å; L602-I606 HydrophobicContact CG-CD1 4.23Å; L602-I606 WeakPolarHBondContact O-CG1 3.47Å; L602-I606 PolarHBondContact O-N 3.35Å; G603-I606 PolarHBondContact O-N 3.38Å; I606-A608 VanDerWaalsContact C-N 3.28Å; I606-A608 PolarHBondContact O-N 3.11Å; I606-S609 CarbonylContact O-C 3.56Å; I606-S609 WeakPolarHBondContact O-CA 3.45Å; I606-S609 WeakPolarHBondContact O-CB 3.25Å; I606-S609 PolarHBondContact O-N 3.04Å; I606-E610 HydrophobicContact CG2-CG 4.38Å; I606-E610 PolarHBondContact O-N 2.85Å
607	K	82.1	Confident	77.8	Confident	141 Å²	141	98.2 Å²	98.2	61%	0.613	54%	0.539	S	S	*	.	H	α-helix	trans	-57.9	-40.3	175.8	-73.2	178	-178	177.5	0	112.6	G603 N604 S609 E610 A611	G603-K607 WeakPolarHBondContact O-CG 3.47Å; G603-K607 PolarHBondContact O-N 3.2Å; G603-K607 VanDerWaalsContact O-N 3.1Å; N604-K607 PolarHBondContact O-N 3.05Å; K607-S609 VanDerWaalsContact C-N 3.3Å; K607-S609 PolarHBondContact O-N 3.2Å; K607-E610 PolarHBondContact O-N 3.3Å; K607-A611 WeakPolarHBondContact O-CB 3.41Å; K607-A611 PolarHBondContact O-N 3.1Å
608	A	81.5	Confident	76.4	Confident	63 Å²	63	96.8 Å²	96.8	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-37.3	174.1	0	0	0	0	0	112.1	N604 R605 I606 A612	N604-A608 PolarHBondContact O-N 3.42Å; R605-A608 PolarHBondContact O-N 3.41Å; I606-A608 VanDerWaalsContact C-N 3.28Å; I606-A608 PolarHBondContact O-N 3.11Å; A608-A612 PolarHBondContact O-N 3.39Å; A608-A612 VanDerWaalsContact O-N 3.07Å
609	S	78.1	Confident	74.7	Confident	67 Å²	67	100 Å²	100	47%	0.469	56%	0.555	S	S	.	*	H	α-helix	trans	-72.7	-38	178	-54.5	0	0	0	0	112.4	R605 I606 K607 A612 L613	R605-S609 WeakPolarHBondContact O-CB 3.34Å; R605-S609 PolarHBondContact O-N 3Å; R605-S609 PolarHBondContact O-OG 3.36Å; I606-S609 CarbonylContact O-C 3.56Å; I606-S609 WeakPolarHBondContact O-CA 3.45Å; I606-S609 WeakPolarHBondContact O-CB 3.25Å; I606-S609 PolarHBondContact O-N 3.04Å; K607-S609 VanDerWaalsContact C-N 3.3Å; K607-S609 PolarHBondContact O-N 3.2Å; S609-A612 WeakPolarHBondContact O-CB 3.48Å; S609-A612 PolarHBondContact O-N 2.88Å; S609-L613 WeakPolarHBondContact O-CG 3.46Å; S609-L613 PolarHBondContact O-N 3.3Å
610	E	75.8	Confident	73	Confident	123 Å²	123	103.2 Å²	103.2	58%	0.575	57%	0.569	S	S	*	*	H	α-helix	trans	-62.7	-43.7	173	-73.7	179.6	158.3	0	0	111.3	I606 K607 A612 L613 A614	I606-E610 HydrophobicContact CG2-CG 4.38Å; I606-E610 PolarHBondContact O-N 2.85Å; K607-E610 PolarHBondContact O-N 3.3Å; E610-A612 VanDerWaalsContact C-N 3.28Å; E610-A612 PolarHBondContact O-N 3.48Å; E610-L613 PolarHBondContact O-N 2.86Å; E610-A614 PolarHBondContact O-N 3.12Å
611	A	79.6	Confident	71.2	Confident	62 Å²	62	107.9 Å²	107.9	51%	0.512	59%	0.591	S	S	.	*	H	α-helix	trans	-61	-38.2	173.9	0	0	0	0	0	112	K607	K607-A611 WeakPolarHBondContact O-CB 3.41Å; K607-A611 PolarHBondContact O-N 3.1Å
612	A	79.6	Confident	69.3	Low	46 Å²	46	107 Å²	107	38%	0.38	61%	0.605	S	S	.	*	H	α-helix	trans	-67	-42.6	174.6	0	0	0	0	0	112.2	A608 S609 E610 L615 F616	A608-A612 PolarHBondContact O-N 3.39Å; A608-A612 VanDerWaalsContact O-N 3.07Å; S609-A612 WeakPolarHBondContact O-CB 3.48Å; S609-A612 PolarHBondContact O-N 2.88Å; E610-A612 VanDerWaalsContact C-N 3.28Å; E610-A612 PolarHBondContact O-N 3.48Å; A612-L615 WeakPolarHBondContact O-CB 3.47Å; A612-L615 PolarHBondContact O-N 2.89Å; A612-F616 VanDerWaalsContact O-CD2 3.24Å; A612-F616 WeakPolarHBondContact O-CD2 3.28Å
613	L	72.1	Confident	67.9	Low	119 Å²	119	105.9 Å²	105.9	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-67.1	-34.2	178.3	-77.9	168.8	0	0	0	112.9	S609 E610 L615 F616	S609-L613 WeakPolarHBondContact O-CG 3.46Å; S609-L613 PolarHBondContact O-N 3.3Å; E610-L613 PolarHBondContact O-N 2.86Å; L613-L615 PolarHBondContact O-N 2.85Å; L613-F616 PolarHBondContact O-N 2.93Å
614	A	72.4	Confident	66.5	Low	69 Å²	69	114.8 Å²	114.8	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-59.6	-27.8	176	0	0	0	0	0	112.7	E610 F616	E610-A614 PolarHBondContact O-N 3.12Å; A614-F616 VanDerWaalsContact C-N 3.3Å; A614-F616 PolarHBondContact O-N 3.2Å
615	L	70	Confident	65.4	Low	142 Å²	142	114.8 Å²	114.8	74%	0.743	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-19.4	175.3	-68.3	163.7	0	0	0	113.4	A612 L613	A612-L615 WeakPolarHBondContact O-CB 3.47Å; A612-L615 PolarHBondContact O-N 2.89Å; L613-L615 PolarHBondContact O-N 2.85Å
616	F	64.6	Low	64.6	Low	147 Å²	147	112.4 Å²	112.4	65%	0.645	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-4.6	-177.7	-74.1	-79	0	0	0	114.5	A612 L613 A614 P618	A612-F616 VanDerWaalsContact O-CD2 3.24Å; A612-F616 WeakPolarHBondContact O-CD2 3.28Å; L613-F616 PolarHBondContact O-N 2.93Å; A614-F616 VanDerWaalsContact C-N 3.3Å; A614-F616 PolarHBondContact O-N 3.2Å; F616-P618 WeakPolarHBondContact O-CD 2.99Å
617	Y	58.5	Low	64	Low	209 Å²	209	110.3 Å²	110.3	82%	0.82	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-20.7	-172.6	-133.7	-93.1	0	0	0	117.2	I619	Y617-I619 VanDerWaalsContact C-N 3.29Å; Y617-I619 PolarHBondContact O-N 3.28Å
618	P	52.3	Low	63.5	Low	114 Å²	114	110.7 Å²	110.7	74%	0.74	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	10.2	-176.1	32.2	-30.7	0	0	0	114.7	F616	F616-P618 WeakPolarHBondContact O-CD 2.99Å
619	I	46.7	Very low	63.2	Low	124 Å²	124	111.5 Å²	111.5	64%	0.636	65%	0.651	S	S	*	*	S	Bend	trans	-105	104.7	-174.8	-56	179.7	0	0	0	110.8	Y617	Y617-I619 VanDerWaalsContact C-N 3.29Å; Y617-I619 PolarHBondContact O-N 3.28Å
620	T	43.2	Very low	63.1	Low	127 Å²	127	112 Å²	112	78%	0.779	65%	0.648	S	S	*	*			trans	82.7	89.1	153.7	62.4	0	0	0	0	119.8
621	T	45	Very low	63.1	Low	153 Å²	153	112.7 Å²	112.7	94%	0.939	65%	0.651	S	S	*	*			trans	-128.3	92.7	146.4	55.4	0	0	0	0	109
622	G	43.8	Very low	63.2	Low	77 Å²	77	112.9 Å²	112.9	79%	0.794	65%	0.649	S	S	*	*			trans	-178.8	6.3	179.9	0	0	0	0	0	118.4	K624	G622-K624 PolarHBondContact O-N 2.74Å
623	G	53.7	Low	63.3	Low	68 Å²	68	114.2 Å²	114.2	70%	0.701	65%	0.652	S	S	*	*			trans	-81.1	116.6	174.3	0	0	0	0	0	111.2	V625	G623-V625 PolarHBondContact O-N 3.28Å
624	K	50.8	Low	63.8	Low	215 Å²	215	114.6 Å²	114.6	94%	0.935	65%	0.652	S	S	*	*			trans	-65.2	95.7	167.1	-80.4	-177.5	175.4	179.2	0	109	G622	G622-K624 PolarHBondContact O-N 2.74Å
625	V	61.3	Low	64.3	Low	101 Å²	101	118.9 Å²	118.9	61%	0.612	66%	0.658	S	S	*	*			trans	-79.9	133.3	173.6	-177.8	0	0	0	0	109.1	G623 G627 I630	G623-V625 PolarHBondContact O-N 3.28Å; V625-G627 PolarHBondContact O-N 2.89Å; V625-I630 HydrophobicContact CB-CD1 4.11Å; V625-I630 HydrophobicContact CG1-CD1 3.85Å; V625-I630 HydrophobicContact CG1-CG1 3.75Å
626	N	64.7	Low	65	Low	105 Å²	105	121 Å²	121	56%	0.561	66%	0.656	S	S	*	*			trans	-66.8	126.3	-177.9	-159.1	5	0	0	0	110.8	E628 T629 I630	N626-E628 VanDerWaalsContact C-N 3.28Å; N626-E628 PolarHBondContact O-N 2.86Å; N626-T629 PolarHBondContact O-N 2.89Å; N626-T629 VanDerWaalsContact O-N 3.17Å; N626-I630 PolarHBondContact O-N 3.22Å
627	G	68.2	Low	66	Low	44 Å²	44	119 Å²	119	45%	0.454	65%	0.651	S	S	.	*	H	α-helix	trans	-62.8	-30.3	-170.3	0	0	0	0	0	114.4	V625 I630 Q631	V625-G627 PolarHBondContact O-N 2.89Å; G627-I630 PolarHBondContact O-N 3.45Å; G627-Q631 PolarHBondContact O-N 3.11Å
628	E	71.3	Confident	67.4	Low	150 Å²	150	115.8 Å²	115.8	70%	0.701	64%	0.642	S	S	*	*	H	α-helix	trans	-66.2	-39	177.1	-66.3	-175.9	161	0	0	112.4	N626 I630 Q631 S632	N626-E628 VanDerWaalsContact C-N 3.28Å; N626-E628 PolarHBondContact O-N 2.86Å; E628-I630 VanDerWaalsContact C-N 3.31Å; E628-I630 PolarHBondContact O-N 3.21Å; E628-Q631 PolarHBondContact O-N 3.32Å; E628-S632 PolarHBondContact O-N 3.08Å
629	T	75.2	Confident	69.1	Low	80 Å²	80	117.4 Å²	117.4	49%	0.491	64%	0.637	S	S	.	*	H	α-helix	trans	-64.6	-40	177.1	-39.4	0	0	0	0	110.4	N626 S632 V633	N626-T629 PolarHBondContact O-N 2.89Å; N626-T629 VanDerWaalsContact O-N 3.17Å; T629-S632 PolarHBondContact O-N 2.85Å; T629-V633 WeakPolarHBondContact O-CB 3.4Å; T629-V633 VanDerWaalsContact O-CG2 3.27Å; T629-V633 WeakPolarHBondContact O-CG2 3.47Å; T629-V633 PolarHBondContact O-N 3.04Å
630	I	76.8	Confident	71	Confident	78 Å²	78	115.9 Å²	115.9	40%	0.4	63%	0.629	S	S	.	*	H	α-helix	trans	-63.3	-46.5	176.2	-62.6	175.4	0	0	0	110.5	V625 N626 G627 E628 S632 V633 M634	V625-I630 HydrophobicContact CB-CD1 4.11Å; V625-I630 HydrophobicContact CG1-CD1 3.85Å; V625-I630 HydrophobicContact CG1-CG1 3.75Å; N626-I630 PolarHBondContact O-N 3.22Å; G627-I630 PolarHBondContact O-N 3.45Å; E628-I630 VanDerWaalsContact C-N 3.31Å; E628-I630 PolarHBondContact O-N 3.21Å; I630-S632 VanDerWaalsContact C-N 3.33Å; I630-S632 PolarHBondContact O-N 3.08Å; I630-V633 PolarHBondContact O-N 2.93Å; I630-M634 HydrophobicContact CG2-CE 4.29Å; I630-M634 HydrophobicContact CG2-CG 4.17Å; I630-M634 WeakPolarHBondContact O-CB 3.46Å; I630-M634 WeakPolarHBondContact O-CG 3.43Å; I630-M634 PolarHBondContact O-N 3.4Å
631	Q	75.4	Confident	73.1	Confident	136 Å²	136	114.4 Å²	114.4	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-62.2	-39.7	177.9	-77.7	-167.8	0.4	0	0	112.7	G627 E628 M634 K635	G627-Q631 PolarHBondContact O-N 3.11Å; E628-Q631 PolarHBondContact O-N 3.32Å; Q631-M634 PolarHBondContact O-N 3.38Å; Q631-K635 PolarHBondContact O-N 3Å
632	S	81.1	Confident	75	Confident	66 Å²	66	111.7 Å²	111.7	46%	0.462	60%	0.597	S	S	.	*	H	α-helix	trans	-64	-44.3	176.5	-177.2	0	0	0	0	111.9	E628 T629 I630 K635 R636	E628-S632 PolarHBondContact O-N 3.08Å; T629-S632 PolarHBondContact O-N 2.85Å; I630-S632 VanDerWaalsContact C-N 3.33Å; I630-S632 PolarHBondContact O-N 3.08Å; S632-K635 PolarHBondContact O-N 3.38Å; S632-R636 PolarHBondContact O-N 2.8Å
633	V	82.7	Confident	77	Confident	74 Å²	74	116.8 Å²	116.8	45%	0.448	59%	0.592	S	S	.	*	H	α-helix	trans	-64.3	-44.4	176	172	0	0	0	0	110.9	T629 I630 K635 R636 L637	T629-V633 WeakPolarHBondContact O-CB 3.4Å; T629-V633 VanDerWaalsContact O-CG2 3.27Å; T629-V633 WeakPolarHBondContact O-CG2 3.47Å; T629-V633 PolarHBondContact O-N 3.04Å; I630-V633 PolarHBondContact O-N 2.93Å; V633-K635 PolarHBondContact O-N 3.36Å; V633-R636 WeakPolarHBondContact O-CB 3.49Å; V633-R636 PolarHBondContact O-N 3.26Å; V633-R636 VanDerWaalsContact O-N 3.14Å; V633-L637 HydrophobicContact CG1-CD1 3.86Å; V633-L637 HydrophobicContact CG1-CG 4.25Å; V633-L637 WeakPolarHBondContact O-CG 3.48Å; V633-L637 PolarHBondContact O-N 3.34Å
634	M	82.5	Confident	78.5	Confident	127 Å²	127	117.7 Å²	117.7	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-56.9	-45.9	175.3	-74.5	-96.3	-163.4	0	0	111.8	I630 Q631 R636 L637 K638	I630-M634 HydrophobicContact CG2-CE 4.29Å; I630-M634 HydrophobicContact CG2-CG 4.17Å; I630-M634 WeakPolarHBondContact O-CB 3.46Å; I630-M634 WeakPolarHBondContact O-CG 3.43Å; I630-M634 PolarHBondContact O-N 3.4Å; Q631-M634 PolarHBondContact O-N 3.38Å; M634-R636 VanDerWaalsContact C-N 3.34Å; M634-R636 PolarHBondContact O-N 2.98Å; M634-L637 PolarHBondContact O-N 3.34Å; M634-K638 WeakPolarHBondContact O-CB 3.38Å; M634-K638 PolarHBondContact O-N 3.05Å
635	K	83	Confident	80.2	Confident	160 Å²	160	110.3 Å²	110.3	70%	0.696	55%	0.553	S	S	*	*	H	α-helix	trans	-61.6	-40.8	175.9	-77.9	-176.9	-178.7	176.6	0	112.2	Q631 S632 V633 K639	Q631-K635 PolarHBondContact O-N 3Å; S632-K635 PolarHBondContact O-N 3.38Å; V633-K635 PolarHBondContact O-N 3.36Å; K635-K639 PolarHBondContact O-N 2.94Å; K635-K639 VanDerWaalsContact O-N 3.11Å
636	R	85	Confident	81.2	Confident	186 Å²	186	108.4 Å²	108.4	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-65.6	-44.4	176.5	-83.3	-179.1	158.6	-169.6	-3.9	112	S632 V633 M634 K639 I640	S632-R636 PolarHBondContact O-N 2.8Å; V633-R636 WeakPolarHBondContact O-CB 3.49Å; V633-R636 PolarHBondContact O-N 3.26Å; V633-R636 VanDerWaalsContact O-N 3.14Å; M634-R636 VanDerWaalsContact C-N 3.34Å; M634-R636 PolarHBondContact O-N 2.98Å; R636-K639 PolarHBondContact O-N 3.3Å; R636-I640 WeakPolarHBondContact O-CG1 3.45Å; R636-I640 PolarHBondContact O-N 3.16Å
637	L	85.6	Confident	82	Confident	105 Å²	105	107.7 Å²	107.7	55%	0.55	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-44.7	177.5	-74.2	172.1	0	0	0	111.2	V633 M634 K639 I640 D641	V633-L637 HydrophobicContact CG1-CD1 3.86Å; V633-L637 HydrophobicContact CG1-CG 4.25Å; V633-L637 WeakPolarHBondContact O-CG 3.48Å; V633-L637 PolarHBondContact O-N 3.34Å; M634-L637 PolarHBondContact O-N 3.34Å; L637-K639 VanDerWaalsContact C-N 3.3Å; L637-K639 PolarHBondContact O-N 3.11Å; L637-I640 WeakPolarHBondContact O-CB 3.46Å; L637-I640 PolarHBondContact O-N 3.42Å; L637-D641 PolarHBondContact O-N 3.28Å
638	K	87.8	Confident	82.8	Confident	142 Å²	142	109.9 Å²	109.9	62%	0.617	54%	0.543	S	S	*	.	H	α-helix	trans	-58.3	-42.7	174.9	-170.1	170	-175	171.5	0	112.1	M634 I640 D641 D642	M634-K638 WeakPolarHBondContact O-CB 3.38Å; M634-K638 PolarHBondContact O-N 3.05Å; K638-I640 VanDerWaalsContact C-N 3.28Å; K638-I640 PolarHBondContact O-N 3.39Å; K638-D641 PolarHBondContact O-N 3.43Å; K638-D642 WeakPolarHBondContact O-CB 3.33Å; K638-D642 PolarHBondContact O-N 3.01Å
639	K	86.5	Confident	83.4	Confident	147 Å²	147	109.4 Å²	109.4	64%	0.639	54%	0.539	S	S	*	.	H	α-helix	trans	-65.3	-30.5	176.5	-166.1	175.7	-175.6	177.2	0	113.2	K635 R636 L637 R643	K635-K639 PolarHBondContact O-N 2.94Å; K635-K639 VanDerWaalsContact O-N 3.11Å; R636-K639 PolarHBondContact O-N 3.3Å; L637-K639 VanDerWaalsContact C-N 3.3Å; L637-K639 PolarHBondContact O-N 3.11Å; K639-R643 VanDerWaalsContact O-CG 3.31Å; K639-R643 WeakPolarHBondContact O-CG 3.41Å; K639-R643 PolarHBondContact O-N 3.3Å
640	I	88	Confident	83.6	Confident	93 Å²	93	114.7 Å²	114.7	48%	0.477	55%	0.55	S	S	.	.	H	α-helix	trans	-72.3	-45.4	174.1	-68.8	167	0	0	0	109.6	R636 L637 K638 R643 L644	R636-I640 WeakPolarHBondContact O-CG1 3.45Å; R636-I640 PolarHBondContact O-N 3.16Å; L637-I640 WeakPolarHBondContact O-CB 3.46Å; L637-I640 PolarHBondContact O-N 3.42Å; K638-I640 VanDerWaalsContact C-N 3.28Å; K638-I640 PolarHBondContact O-N 3.39Å; I640-R643 PolarHBondContact O-N 2.84Å; I640-R643 VanDerWaalsContact O-N 3.09Å; I640-L644 HydrophobicContact CG2-CD1 3.64Å; I640-L644 HydrophobicContact CG2-CG 4.19Å; I640-L644 WeakPolarHBondContact O-CG 3.34Å; I640-L644 PolarHBondContact O-N 3.13Å
641	D	86	Confident	83.7	Confident	95 Å²	95	118 Å²	118	51%	0.508	57%	0.567	S	S	.	*	H	α-helix	trans	-57.8	-50.4	176.6	-170.1	43.4	0	0	0	111.1	L637 K638 R643 L644 T645	L637-D641 PolarHBondContact O-N 3.28Å; K638-D641 PolarHBondContact O-N 3.43Å; D641-R643 PolarHBondContact O-N 2.93Å; D641-L644 PolarHBondContact O-N 3.37Å; D641-T645 PolarHBondContact O-N 3.31Å; D641-T645 PolarHBondContact O-OG1 3.18Å
642	D	85.4	Confident	83.6	Confident	97 Å²	97	115.7 Å²	115.7	52%	0.519	57%	0.566	S	S	.	*	H	α-helix	trans	-55.3	-26.7	176.6	-68.2	-27	0	0	0	113.2	K638 P646	K638-D642 WeakPolarHBondContact O-CB 3.33Å; K638-D642 PolarHBondContact O-N 3.01Å; D642-P646 WeakPolarHBondContact O-CD 3.49Å; D642-P646 WeakPolarHBondContact O-CG 3.46Å
643	R	86.6	Confident	82.5	Confident	183 Å²	183	121.4 Å²	121.4	69%	0.691	59%	0.592	S	S	*	*	H	α-helix	trans	-87.1	-35	175.3	-69.2	179	83.2	-170.9	5.9	112.8	K639 I640 D641 P646 L647	K639-R643 VanDerWaalsContact O-CG 3.31Å; K639-R643 WeakPolarHBondContact O-CG 3.41Å; K639-R643 PolarHBondContact O-N 3.3Å; I640-R643 PolarHBondContact O-N 2.84Å; I640-R643 VanDerWaalsContact O-N 3.09Å; D641-R643 PolarHBondContact O-N 2.93Å; R643-P646 WeakPolarHBondContact O-CG 3.32Å; R643-L647 WeakPolarHBondContact O-CD1 3.4Å
644	L	85	Confident	82.5	Confident	88 Å²	88	123.8 Å²	123.8	46%	0.461	60%	0.599	S	S	.	*	H	α-helix	trans	-78.3	-40	-178.4	-74.1	175.3	0	0	0	112.1	I640 D641 L647 V648	I640-L644 HydrophobicContact CG2-CD1 3.64Å; I640-L644 HydrophobicContact CG2-CG 4.19Å; I640-L644 WeakPolarHBondContact O-CG 3.34Å; I640-L644 PolarHBondContact O-N 3.13Å; D641-L644 PolarHBondContact O-N 3.37Å; L644-L647 WeakPolarHBondContact O-CA 3.41Å; L644-L647 WeakPolarHBondContact O-CB 3.45Å; L644-L647 PolarHBondContact O-N 3.07Å; L644-V648 WeakPolarHBondContact O-CG2 3.37Å; L644-V648 PolarHBondContact O-N 2.88Å
645	T	86.8	Confident	82.5	Confident	59 Å²	59	123.6 Å²	123.6	36%	0.362	60%	0.597	S	S	.	*	H	α-helix	trans	-52.4	-48.8	-179.2	-39.7	0	0	0	0	113.1	D641 L647 K649	D641-T645 PolarHBondContact O-N 3.31Å; D641-T645 PolarHBondContact O-OG1 3.18Å; T645-L647 PolarHBondContact O-N 2.87Å; T645-K649 PolarHBondContact O-N 3.25Å
646	P	82.9	Confident	82.5	Confident	61 Å²	61	121.6 Å²	121.6	40%	0.396	59%	0.592	S	S	.	*	H	α-helix	trans	-69.8	-29.1	176.6	25.9	-33.5	0	0	0	113.4	D642 R643 R650	D642-P646 WeakPolarHBondContact O-CD 3.49Å; D642-P646 WeakPolarHBondContact O-CG 3.46Å; R643-P646 WeakPolarHBondContact O-CG 3.32Å; P646-R650 WeakPolarHBondContact O-CG 3.21Å; P646-R650 PolarHBondContact O-N 3.33Å; P646-R650 VanDerWaalsContact O-N 3.08Å
647	L	81.3	Confident	82.4	Confident	90 Å²	90	117.8 Å²	117.8	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-69.2	-44.3	175.5	-78.8	167.7	0	0	0	111.6	R643 L644 T645 K649 R650 L651	R643-L647 WeakPolarHBondContact O-CD1 3.4Å; L644-L647 WeakPolarHBondContact O-CA 3.41Å; L644-L647 WeakPolarHBondContact O-CB 3.45Å; L644-L647 PolarHBondContact O-N 3.07Å; T645-L647 PolarHBondContact O-N 2.87Å; L647-K649 VanDerWaalsContact C-N 3.34Å; L647-R650 WeakPolarHBondContact O-CB 3.39Å; L647-R650 PolarHBondContact O-N 3.48Å; L647-R650 VanDerWaalsContact O-N 3.14Å; L647-L651 WeakPolarHBondContact O-CG 3.33Å; L647-L651 PolarHBondContact O-N 3.01Å
648	V	83.9	Confident	82.2	Confident	91 Å²	91	118.6 Å²	118.6	55%	0.552	59%	0.588	S	S	*	*	H	α-helix	trans	-62	-44.3	175.5	175.2	0	0	0	0	110.1	L644 R650 L651 S652	L644-V648 WeakPolarHBondContact O-CG2 3.37Å; L644-V648 PolarHBondContact O-N 2.88Å; V648-R650 PolarHBondContact O-N 3.02Å; V648-L651 PolarHBondContact O-N 3.19Å; V648-S652 PolarHBondContact O-N 3.19Å; V648-S652 PolarHBondContact O-OG 3.14Å
649	K	83.3	Confident	81.8	Confident	140 Å²	140	117.1 Å²	117.1	61%	0.609	59%	0.586	S	S	*	*	H	α-helix	trans	-59.8	-32.1	174.5	-78.3	-171.8	179.1	-176.7	0	113.5	T645 L647 S652 N653	T645-K649 PolarHBondContact O-N 3.25Å; L647-K649 VanDerWaalsContact C-N 3.34Å; K649-S652 WeakPolarHBondContact CA-OG 3.34Å; K649-S652 PolarHBondContact O-OG 3.42Å; K649-N653 PolarHBondContact O-N 3.14Å
650	R	80.7	Confident	81.4	Confident	191 Å²	191	114.9 Å²	114.9	72%	0.721	58%	0.582	S	S	*	*	H	α-helix	trans	-77.2	-22.9	175.6	-77.7	179.6	-172	-178.8	2.9	113.8	P646 L647 V648	P646-R650 WeakPolarHBondContact O-CG 3.21Å; P646-R650 PolarHBondContact O-N 3.33Å; P646-R650 VanDerWaalsContact O-N 3.08Å; L647-R650 WeakPolarHBondContact O-CB 3.39Å; L647-R650 PolarHBondContact O-N 3.48Å; L647-R650 VanDerWaalsContact O-N 3.14Å; V648-R650 PolarHBondContact O-N 3.02Å
651	L	78.7	Confident	80.9	Confident	146 Å²	146	116.6 Å²	116.6	76%	0.764	59%	0.59	S	S	*	*	H	α-helix	trans	-90.4	-24.1	177.8	-71.5	168.5	0	0	0	112.2	L647 V648	L647-L651 WeakPolarHBondContact O-CG 3.33Å; L647-L651 PolarHBondContact O-N 3.01Å; V648-L651 PolarHBondContact O-N 3.19Å
652	S	74	Confident	80.5	Confident	88 Å²	88	118.4 Å²	118.4	62%	0.615	60%	0.597	S	S	*	*	H	α-helix	trans	-83.2	-18	175.6	59.8	0	0	0	0	114	V648 K649	V648-S652 PolarHBondContact O-N 3.19Å; V648-S652 PolarHBondContact O-OG 3.14Å; K649-S652 WeakPolarHBondContact CA-OG 3.34Å; K649-S652 PolarHBondContact O-OG 3.42Å
653	N	57.7	Low	80.1	Confident	187 Å²	187	120.4 Å²	120.4	100%	1	60%	0.604	S	S	*	*			trans	-95.3	0	170.4	-70.1	-6.5	0	0	0	109.2	K649	K649-N653 PolarHBondContact O-N 3.14Å

Retrieved 653 of 653 residues in 459.9 ms (Link to these results)

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