A0A077ZEV2_TRITR Loading...

Transcription initiation factor TFIID subunit 5

AlphaFold DB , UniProt , Accession A0A077ZEV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 658 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	45.8	Very low	190 Å²	190	125.1 Å²	125.1	94%	0.936	63%	0.627	S	S	*	*				0	-55.5	0	-142.6	178.3	-56.9	0	0	108.4	E3 L4 E5	M1-E3 PolarHBondContact O-N 2.83Å; M1-L4 WeakPolarHBondContact O-CA 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.39Å; M1-L4 PolarHBondContact O-N 2.96Å; M1-E5 PolarHBondContact O-N 2.68Å
2	E	39.5	Very low	47.6	Very low	161 Å²	161	122.2 Å²	122.2	75%	0.752	61%	0.607	S	S	*	*	H	α-helix	trans	-52.2	-43	172.5	-65.9	176.9	169	0	0	114.5	L4 E5 L6	E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 3.49Å; E2-E5 PolarHBondContact O-N 3.1Å; E2-L6 WeakPolarHBondContact O-CB 3.44Å; E2-L6 PolarHBondContact O-N 3.32Å
3	E	36.9	Very low	49.5	Very low	171 Å²	171	118.2 Å²	118.2	80%	0.799	59%	0.59	S	S	*	*	H	α-helix	trans	-64.2	-30.5	176.4	-70.1	-176.3	161.3	0	0	113.4	M1 A7	M1-E3 PolarHBondContact O-N 2.83Å; E3-A7 VanDerWaalsContact O-CB 3.31Å; E3-A7 WeakPolarHBondContact O-CB 3.45Å; E3-A7 PolarHBondContact O-N 3.23Å
4	L	48.8	Very low	50.9	Low	140 Å²	140	119.1 Å²	119.1	73%	0.733	59%	0.591	S	S	*	*	H	α-helix	trans	-77	-36.8	178.6	-122.1	136.1	0	0	0	110.7	M1 E2 A8	M1-L4 WeakPolarHBondContact O-CA 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.39Å; M1-L4 PolarHBondContact O-N 2.96Å; E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 3.49Å; L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 3.42Å
5	E	44	Very low	52.7	Low	113 Å²	113	117.8 Å²	117.8	53%	0.528	59%	0.587	S	S	.	*	H	α-helix	trans	-64.5	-47.1	170.8	-73.7	173	169.8	0	0	111.5	M1 E2 A7 A8 H9	M1-E5 PolarHBondContact O-N 2.68Å; E2-E5 PolarHBondContact O-N 3.1Å; E5-A7 VanDerWaalsContact C-N 3.32Å; E5-A7 PolarHBondContact O-N 3.24Å; E5-A8 PolarHBondContact O-N 3.5Å; E5-H9 PolarHBondContact O-CD2 2.68Å; E5-H9 VanDerWaalsContact O-CD2 3.27Å; E5-H9 PolarHBondContact O-N 3.3Å
6	L	46.6	Very low	54.5	Low	112 Å²	112	112.2 Å²	112.2	59%	0.586	56%	0.559	S	S	*	*	H	α-helix	trans	-61.5	-41.8	177.3	-168.9	73.6	0	0	0	111.4	E2 H9 L10	E2-L6 WeakPolarHBondContact O-CB 3.44Å; E2-L6 PolarHBondContact O-N 3.32Å; L6-H9 PolarHBondContact O-N 3.16Å; L6-L10 HydrophobicContact CD2-CD1 4.48Å; L6-L10 HydrophobicContact CG-CD1 4.06Å; L6-L10 WeakPolarHBondContact O-CB 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 3.41Å
7	A	43.5	Very low	55.9	Low	45 Å²	45	111.7 Å²	111.7	37%	0.372	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-37.4	175.8	0	0	0	0	0	112.6	E3 E5 R11	E3-A7 VanDerWaalsContact O-CB 3.31Å; E3-A7 WeakPolarHBondContact O-CB 3.45Å; E3-A7 PolarHBondContact O-N 3.23Å; E5-A7 VanDerWaalsContact C-N 3.32Å; E5-A7 PolarHBondContact O-N 3.24Å; A7-R11 WeakPolarHBondContact O-CB 3.44Å; A7-R11 WeakPolarHBondContact O-CG 3.47Å; A7-R11 PolarHBondContact O-N 3.36Å
8	A	50.7	Low	57.3	Low	60 Å²	60	111.6 Å²	111.6	50%	0.496	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-41.5	174.9	0	0	0	0	0	111.8	L4 E5 R11 F12	L4-A8 WeakPolarHBondContact O-CB 3.48Å; L4-A8 PolarHBondContact O-N 3.42Å; E5-A8 PolarHBondContact O-N 3.5Å; A8-R11 PolarHBondContact O-N 3.15Å; A8-F12 WeakPolarHBondContact O-CB 3.41Å; A8-F12 PolarHBondContact O-N 3.45Å
9	H	45.4	Very low	58.6	Low	101 Å²	101	109.2 Å²	109.2	47%	0.468	55%	0.552	S	S	.	*	H	α-helix	trans	-64.4	-45.1	174.6	-83.9	-63.1	0	0	0	112.6	E5 L6 R11 F12 D13	E5-H9 PolarHBondContact O-CD2 2.68Å; E5-H9 VanDerWaalsContact O-CD2 3.27Å; E5-H9 PolarHBondContact O-N 3.3Å; L6-H9 PolarHBondContact O-N 3.16Å; H9-R11 VanDerWaalsContact C-N 3.33Å; H9-R11 PolarHBondContact O-N 2.95Å; H9-F12 PolarHBondContact O-N 2.81Å; H9-D13 PolarHBondContact O-N 3.19Å
10	L	47	Very low	59.9	Low	107 Å²	107	104.5 Å²	104.5	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-61	-42.3	175.7	-78.2	163	0	0	0	111.4	L6 Q14	L6-L10 HydrophobicContact CD2-CD1 4.48Å; L6-L10 HydrophobicContact CG-CD1 4.06Å; L6-L10 WeakPolarHBondContact O-CB 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 3.41Å; L10-Q14 VanDerWaalsContact O-CB 3.29Å; L10-Q14 WeakPolarHBondContact O-CB 3.45Å; L10-Q14 PolarHBondContact O-N 3.19Å
11	R	58.5	Low	60.8	Low	176 Å²	176	101.1 Å²	101.1	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-44.9	173.6	-77.4	-178.3	-170.3	-140.9	3.8	111.9	A7 A8 H9 Q14 D15	A7-R11 WeakPolarHBondContact O-CB 3.44Å; A7-R11 WeakPolarHBondContact O-CG 3.47Å; A7-R11 PolarHBondContact O-N 3.36Å; A8-R11 PolarHBondContact O-N 3.15Å; H9-R11 VanDerWaalsContact C-N 3.33Å; H9-R11 PolarHBondContact O-N 2.95Å; R11-Q14 PolarHBondContact O-N 3.2Å; R11-D15 WeakPolarHBondContact O-CB 3.35Å; R11-D15 VanDerWaalsContact O-CG 3.23Å; R11-D15 PolarHBondContact O-N 3.43Å
12	F	67.9	Low	62.9	Low	90 Å²	90	97.4 Å²	97.4	40%	0.395	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-48	178	-176.1	-96	0	0	0	111.8	A8 H9 Q14 M16	A8-F12 WeakPolarHBondContact O-CB 3.41Å; A8-F12 PolarHBondContact O-N 3.45Å; H9-F12 PolarHBondContact O-N 2.81Å; F12-Q14 VanDerWaalsContact C-N 3.3Å; F12-Q14 PolarHBondContact O-N 3.41Å; F12-M16 HydrophobicContact CD1-CG 3.96Å; F12-M16 HydrophobicContact CD2-CG 4.39Å; F12-M16 HydrophobicContact CE1-CG 3.66Å; F12-M16 HydrophobicContact CE1-SD 4.49Å; F12-M16 HydrophobicContact CE2-CG 4.12Å; F12-M16 HydrophobicContact CE2-SD 4.31Å; F12-M16 HydrophobicContact CG-CG 4.32Å; F12-M16 HydrophobicContact CZ-CG 3.75Å; F12-M16 HydrophobicContact CZ-SD 4.03Å; F12-M16 WeakPolarHBondContact O-CB 3.43Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 3.14Å
13	D	71.5	Confident	65	Low	70 Å²	70	90.3 Å²	90.3	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-65.6	-32.7	177.8	-95.5	-23.2	0	0	0	112.1	H9 N17 K43	H9-D13 PolarHBondContact O-N 3.19Å; D13-N17 WeakPolarHBondContact O-CB 3.39Å; D13-N17 VanDerWaalsContact O-CG 3.3Å; D13-N17 PolarHBondContact O-N 2.95Å; D13-N17 PolarHBondContact O-ND2 3.36Å; D13-K43 IonicContact OD1-NZ 3.4Å; D13-K43 PolarHBondContact OD1-NZ 2.84Å; D13-K43 IonicContact OD2-NZ 3.97Å
14	Q	68.7	Low	67.4	Low	131 Å²	131	89.5 Å²	89.5	61%	0.612	46%	0.455	S	S	*	.	H	α-helix	trans	-70.4	-50.2	176.5	-153.2	166.9	15.3	0	0	111.6	L10 R11 F12 M16 N17 D18	L10-Q14 VanDerWaalsContact O-CB 3.29Å; L10-Q14 WeakPolarHBondContact O-CB 3.45Å; L10-Q14 PolarHBondContact O-N 3.19Å; R11-Q14 PolarHBondContact O-N 3.2Å; F12-Q14 VanDerWaalsContact C-N 3.3Å; F12-Q14 PolarHBondContact O-N 3.41Å; Q14-M16 VanDerWaalsContact C-N 3.27Å; Q14-M16 PolarHBondContact O-N 3.47Å; Q14-N17 PolarHBondContact O-N 3.21Å; Q14-D18 PolarHBondContact O-N 2.87Å
15	D	78.7	Confident	69.1	Low	100 Å²	100	91 Å²	91	54%	0.535	46%	0.458	S	S	.	.	H	α-helix	trans	-59.1	-38.8	175.1	-68.5	-21.3	0	0	0	111.2	R11 D18 V19	R11-D15 WeakPolarHBondContact O-CB 3.35Å; R11-D15 VanDerWaalsContact O-CG 3.23Å; R11-D15 PolarHBondContact O-N 3.43Å; D15-D18 WeakPolarHBondContact O-CB 3.44Å; D15-D18 PolarHBondContact O-N 3.14Å; D15-V19 WeakPolarHBondContact O-CG2 3.42Å; D15-V19 PolarHBondContact O-N 3.43Å
16	M	81.2	Confident	71.2	Confident	28 Å²	28	94 Å²	94	14%	0.138	47%	0.465	C	S	.	.	H	α-helix	trans	-69.5	-37.5	177.9	-75.7	-58.3	-50.4	0	0	112.9	F12 Q14 D18 V19 L20 L35 L39	F12-M16 HydrophobicContact CD1-CG 3.96Å; F12-M16 HydrophobicContact CD2-CG 4.39Å; F12-M16 HydrophobicContact CE1-CG 3.66Å; F12-M16 HydrophobicContact CE1-SD 4.49Å; F12-M16 HydrophobicContact CE2-CG 4.12Å; F12-M16 HydrophobicContact CE2-SD 4.31Å; F12-M16 HydrophobicContact CG-CG 4.32Å; F12-M16 HydrophobicContact CZ-CG 3.75Å; F12-M16 HydrophobicContact CZ-SD 4.03Å; F12-M16 WeakPolarHBondContact O-CB 3.43Å; F12-M16 WeakPolarHBondContact O-CG 3.33Å; F12-M16 PolarHBondContact O-N 3.14Å; Q14-M16 VanDerWaalsContact C-N 3.27Å; Q14-M16 PolarHBondContact O-N 3.47Å; M16-D18 VanDerWaalsContact C-N 3.29Å; M16-V19 PolarHBondContact O-N 3.23Å; M16-L20 WeakPolarHBondContact O-CG 3.44Å; M16-L20 PolarHBondContact O-N 2.86Å; M16-L35 HydrophobicContact CE-CD1 4.36Å; M16-L35 HydrophobicContact CE-CD2 4.01Å; M16-L35 HydrophobicContact CE-CG 4.29Å; M16-L39 HydrophobicContact CE-CD1 3.41Å; M16-L39 VanDerWaalsContact CE-CD1 3.41Å; M16-L39 HydrophobicContact CE-CD2 3.64Å; M16-L39 HydrophobicContact CE-CG 3.94Å
17	N	78.9	Confident	72.8	Confident	104 Å²	104	91 Å²	91	56%	0.556	46%	0.462	S	S	*	.	H	α-helix	trans	-65.5	-35.4	171.9	-78.7	-47.4	0	0	0	111.4	D13 Q14 L20 G21	D13-N17 WeakPolarHBondContact O-CB 3.39Å; D13-N17 VanDerWaalsContact O-CG 3.3Å; D13-N17 PolarHBondContact O-N 2.95Å; D13-N17 PolarHBondContact O-ND2 3.36Å; Q14-N17 PolarHBondContact O-N 3.21Å; N17-L20 PolarHBondContact O-N 3.2Å; N17-G21 PolarHBondContact O-N 2.91Å
18	D	81.2	Confident	74.7	Confident	110 Å²	110	92.5 Å²	92.5	59%	0.588	46%	0.463	S	S	*	.	H	α-helix	trans	-66.5	-40.7	174.1	-72	-15	0	0	0	111.8	Q14 D15 M16 G21 F22	Q14-D18 PolarHBondContact O-N 2.87Å; D15-D18 WeakPolarHBondContact O-CB 3.44Å; D15-D18 PolarHBondContact O-N 3.14Å; M16-D18 VanDerWaalsContact C-N 3.29Å; D18-G21 PolarHBondContact O-N 3.03Å; D18-F22 WeakPolarHBondContact O-CB 3.43Å; D18-F22 PolarHBondContact O-N 2.87Å
19	V	82	Confident	76.1	Confident	65 Å²	65	97.6 Å²	97.6	39%	0.394	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-45.9	173.7	172.9	0	0	0	0	111.4	D15 M16 G21 F22 L23 L35	D15-V19 WeakPolarHBondContact O-CG2 3.42Å; D15-V19 PolarHBondContact O-N 3.43Å; M16-V19 PolarHBondContact O-N 3.23Å; V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.3Å; V19-F22 WeakPolarHBondContact O-CB 3.31Å; V19-F22 PolarHBondContact O-N 2.87Å; V19-L23 HydrophobicContact CG1-CD1 4.26Å; V19-L23 HydrophobicContact CG1-CG 4.49Å; V19-L23 VanDerWaalsContact O-CG 3.32Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 2.96Å; V19-L35 HydrophobicContact CG1-CD2 3.82Å
20	L	84.2	Confident	77.6	Confident	15 Å²	15	100.4 Å²	100.4	8%	0.079	49%	0.487	C	S	.	.	H	α-helix	trans	-62.9	-39.1	175.4	-71.8	171.2	0	0	0	111.4	M16 N17 L23 R24 E32 L35 L36	M16-L20 WeakPolarHBondContact O-CG 3.44Å; M16-L20 PolarHBondContact O-N 2.86Å; N17-L20 PolarHBondContact O-N 3.2Å; L20-L23 PolarHBondContact O-N 2.8Å; L20-R24 WeakPolarHBondContact O-CB 3.29Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.4Å; L20-E32 HydrophobicContact CD2-CG 3.96Å; L20-L35 HydrophobicContact CD2-CD2 4.15Å; L20-L36 HydrophobicContact CD1-CD2 4.04Å; L20-L36 HydrophobicContact CD2-CD2 3.9Å; L20-L36 HydrophobicContact CD2-CG 4.01Å
21	G	78.8	Confident	79.2	Confident	34 Å²	34	98.8 Å²	98.8	35%	0.351	48%	0.482	S	S	.	.	H	α-helix	trans	-60.4	-45.2	172.3	0	0	0	0	0	112.4	N17 D18 V19 R24 H25	N17-G21 PolarHBondContact O-N 2.91Å; D18-G21 PolarHBondContact O-N 3.03Å; V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.3Å; G21-R24 PolarHBondContact O-N 3.42Å; G21-H25 WeakPolarHBondContact O-CB 3.34Å; G21-H25 PolarHBondContact O-N 3.31Å
22	F	86.5	Confident	80.2	Confident	113 Å²	113	91.9 Å²	91.9	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-61.3	-45.5	175.6	175.8	-92.8	0	0	0	112.2	D18 V19 H25 R26	D18-F22 WeakPolarHBondContact O-CB 3.43Å; D18-F22 PolarHBondContact O-N 2.87Å; V19-F22 WeakPolarHBondContact O-CB 3.31Å; V19-F22 PolarHBondContact O-N 2.87Å; F22-H25 PolarHBondContact O-N 3.31Å; F22-R26 HydrophobicContact CE1-CG 4.42Å; F22-R26 HydrophobicContact CE2-CG 4.37Å; F22-R26 HydrophobicContact CZ-CG 4.2Å; F22-R26 PolarHBondContact O-N 3.14Å
23	L	84.1	Confident	80.6	Confident	12 Å²	12	96.9 Å²	96.9	6%	0.063	47%	0.473	C	S	.	.	H	α-helix	trans	-63.3	-42.3	178.2	-68.9	176	0	0	0	111.8	V19 L20 R26 G27 L28 T31 E32 L35	V19-L23 HydrophobicContact CG1-CD1 4.26Å; V19-L23 HydrophobicContact CG1-CG 4.49Å; V19-L23 VanDerWaalsContact O-CG 3.32Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 2.96Å; L20-L23 PolarHBondContact O-N 2.8Å; L23-R26 PolarHBondContact O-N 3.07Å; L23-G27 PolarHBondContact O-N 3.26Å; L23-G27 VanDerWaalsContact O-N 3.11Å; L23-L28 HydrophobicContact CD2-CB 4Å; L23-L28 HydrophobicContact CD2-CD1 3.82Å; L23-L28 PolarHBondContact O-N 3.11Å; L23-T31 HydrophobicContact CD1-CG2 4.4Å; L23-T31 HydrophobicContact CD2-CG2 3.98Å; L23-E32 HydrophobicContact CB-CB 4.26Å; L23-E32 HydrophobicContact CD1-CB 4.31Å; L23-L35 HydrophobicContact CD1-CD2 3.77Å
24	R	86.9	Confident	81	Confident	153 Å²	153	97 Å²	97	58%	0.577	48%	0.477	S	S	*	.	H	α-helix	trans	-63.4	-44.6	174.5	-74.3	175	-172.9	161.4	8.9	111.9	L20 G21 R26 G27 E32	L20-R24 WeakPolarHBondContact O-CB 3.29Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.47Å; L20-R24 PolarHBondContact O-N 3.4Å; G21-R24 PolarHBondContact O-N 3.42Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 3.42Å; R24-G27 PolarHBondContact O-N 3.05Å; R24-G27 VanDerWaalsContact O-N 3.15Å; R24-E32 WeakPolarHBondContact CG-OE2 3.2Å; R24-E32 IonicContact CZ-OE1 3.6Å; R24-E32 IonicContact NE-OE1 2.82Å; R24-E32 PolarHBondContact NE-OE1 2.89Å; R24-E32 IonicContact NH2-OE1 2.79Å; R24-E32 PolarHBondContact NH2-OE1 2.92Å; R24-E32 VanDerWaalsContact NH2-OE1 3.14Å
25	H	84.6	Confident	81.4	Confident	172 Å²	172	92.8 Å²	92.8	80%	0.796	46%	0.458	S	S	*	.	H	α-helix	trans	-63.2	-33.8	179.7	-169.8	62.4	0	0	0	112.3	G21 F22	G21-H25 WeakPolarHBondContact O-CB 3.34Å; G21-H25 PolarHBondContact O-N 3.31Å; F22-H25 PolarHBondContact O-N 3.31Å
26	R	87.5	Confident	81.5	Confident	175 Å²	175	91.3 Å²	91.3	66%	0.66	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.2	176.2	-67.9	-133.3	177.4	-155.7	0.1	114.9	F22 L23 R24 L28	F22-R26 HydrophobicContact CE1-CG 4.42Å; F22-R26 HydrophobicContact CE2-CG 4.37Å; F22-R26 HydrophobicContact CZ-CG 4.2Å; F22-R26 PolarHBondContact O-N 3.14Å; L23-R26 PolarHBondContact O-N 3.07Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 3.42Å; R26-L28 VanDerWaalsContact C-N 3.28Å; R26-L28 HydrophobicContact CB-CD1 4.13Å; R26-L28 HydrophobicContact CB-CG 4.13Å; R26-L28 PolarHBondContact O-N 2.89Å
27	G	80.6	Confident	80.9	Confident	51 Å²	51	93 Å²	93	53%	0.526	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	19.8	-179.8	0	0	0	0	0	114.8	L23 R24 K29	L23-G27 PolarHBondContact O-N 3.26Å; L23-G27 VanDerWaalsContact O-N 3.11Å; R24-G27 PolarHBondContact O-N 3.05Å; R24-G27 VanDerWaalsContact O-N 3.15Å; G27-K29 PolarHBondContact O-N 3.26Å
28	L	84.3	Confident	80.5	Confident	76 Å²	76	93.7 Å²	93.7	40%	0.398	46%	0.464	S	S	.	.			trans	-81.7	61.7	-178.6	-67.3	171.4	0	0	0	111.6	L23 R26 E30 T31 E32	L23-L28 HydrophobicContact CD2-CB 4Å; L23-L28 HydrophobicContact CD2-CD1 3.82Å; L23-L28 PolarHBondContact O-N 3.11Å; R26-L28 VanDerWaalsContact C-N 3.28Å; R26-L28 HydrophobicContact CB-CD1 4.13Å; R26-L28 HydrophobicContact CB-CG 4.13Å; R26-L28 PolarHBondContact O-N 2.89Å; L28-E30 VanDerWaalsContact C-N 3.3Å; L28-E30 PolarHBondContact O-N 2.65Å; L28-T31 PolarHBondContact O-N 3.18Å; L28-E32 PolarHBondContact O-N 3.11Å
29	K	79.9	Confident	80	Confident	167 Å²	167	89.5 Å²	89.5	73%	0.726	44%	0.442	S	S	*	.	H	α-helix	trans	-60.2	-35.5	-172.8	-64.9	-176.2	-179.7	-179.3	0	113.9	G27 R33	G27-K29 PolarHBondContact O-N 3.26Å; K29-R33 WeakPolarHBondContact O-CB 3.5Å; K29-R33 PolarHBondContact O-N 2.9Å
30	E	77.5	Confident	79	Confident	160 Å²	160	93.2 Å²	93.2	75%	0.748	46%	0.455	S	S	*	.	H	α-helix	trans	-76.2	-37.9	-177.1	-162.9	155.3	-156.5	0	0	111.7	L28 R33 T34	L28-E30 VanDerWaalsContact C-N 3.3Å; L28-E30 PolarHBondContact O-N 2.65Å; E30-R33 PolarHBondContact O-N 2.84Å; E30-T34 WeakPolarHBondContact O-CB 3.47Å; E30-T34 PolarHBondContact O-N 3.35Å; E30-T34 PolarHBondContact O-OG1 3.02Å
31	T	78.8	Confident	77.2	Confident	73 Å²	73	97.1 Å²	97.1	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-65	-43.5	170.9	-44.6	0	0	0	0	110.9	L23 L28 R33 T34 L35	L23-T31 HydrophobicContact CD1-CG2 4.4Å; L23-T31 HydrophobicContact CD2-CG2 3.98Å; L28-T31 PolarHBondContact O-N 3.18Å; T31-R33 PolarHBondContact O-N 2.68Å; T31-T34 PolarHBondContact O-N 2.96Å; T31-L35 WeakPolarHBondContact O-CB 3.43Å; T31-L35 PolarHBondContact O-N 2.6Å
32	E	80.5	Confident	75.7	Confident	30 Å²	30	97.5 Å²	97.5	14%	0.14	48%	0.476	C	S	.	.	H	α-helix	trans	-58.1	-48.3	174	-175.6	-173.8	178.9	0	0	111.1	L20 L23 R24 L28 T34 L35 L36	L20-E32 HydrophobicContact CD2-CG 3.96Å; L23-E32 HydrophobicContact CB-CB 4.26Å; L23-E32 HydrophobicContact CD1-CB 4.31Å; R24-E32 WeakPolarHBondContact CG-OE2 3.2Å; R24-E32 IonicContact CZ-OE1 3.6Å; R24-E32 IonicContact NE-OE1 2.82Å; R24-E32 PolarHBondContact NE-OE1 2.89Å; R24-E32 IonicContact NH2-OE1 2.79Å; R24-E32 PolarHBondContact NH2-OE1 2.92Å; R24-E32 VanDerWaalsContact NH2-OE1 3.14Å; L28-E32 PolarHBondContact O-N 3.11Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.36Å; E32-L35 PolarHBondContact O-N 2.91Å; E32-L36 HydrophobicContact CG-CD1 3.94Å; E32-L36 HydrophobicContact CG-CG 4.41Å; E32-L36 WeakPolarHBondContact O-CB 3.46Å; E32-L36 VanDerWaalsContact O-CG 3.29Å; E32-L36 WeakPolarHBondContact O-CG 3.47Å; E32-L36 PolarHBondContact O-N 3.05Å
33	R	77.3	Confident	73.6	Confident	195 Å²	195	96.6 Å²	96.6	74%	0.736	47%	0.472	S	S	*	.	H	α-helix	trans	-62.6	-39.9	178.6	-178.9	-178.8	151	81.6	4.8	112.4	K29 E30 T31 S37	K29-R33 WeakPolarHBondContact O-CB 3.5Å; K29-R33 PolarHBondContact O-N 2.9Å; E30-R33 PolarHBondContact O-N 2.84Å; T31-R33 PolarHBondContact O-N 2.68Å; R33-S37 WeakPolarHBondContact O-CB 3.47Å; R33-S37 PolarHBondContact O-N 3.29Å
34	T	78.6	Confident	71.4	Confident	74 Å²	74	100.8 Å²	100.8	45%	0.454	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-47.3	176.9	-52.9	0	0	0	0	110.6	E30 T31 E32 L36 S37 E38	E30-T34 WeakPolarHBondContact O-CB 3.47Å; E30-T34 PolarHBondContact O-N 3.35Å; E30-T34 PolarHBondContact O-OG1 3.02Å; T31-T34 PolarHBondContact O-N 2.96Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.36Å; T34-L36 PolarHBondContact O-N 2.84Å; T34-S37 WeakPolarHBondContact O-CB 3.42Å; T34-S37 PolarHBondContact O-N 2.96Å; T34-S37 VanDerWaalsContact O-N 3.16Å; T34-E38 PolarHBondContact O-N 2.93Å
35	L	78.1	Confident	69	Low	42 Å²	42	98.8 Å²	98.8	22%	0.22	50%	0.502	C	S	.	.	H	α-helix	trans	-62.3	-42.3	177.4	-174.7	67.2	0	0	0	111.8	M16 V19 L20 L23 T31 E32 S37 E38 L39	M16-L35 HydrophobicContact CE-CD1 4.36Å; M16-L35 HydrophobicContact CE-CD2 4.01Å; M16-L35 HydrophobicContact CE-CG 4.29Å; V19-L35 HydrophobicContact CG1-CD2 3.82Å; L20-L35 HydrophobicContact CD2-CD2 4.15Å; L23-L35 HydrophobicContact CD1-CD2 3.77Å; T31-L35 WeakPolarHBondContact O-CB 3.43Å; T31-L35 PolarHBondContact O-N 2.6Å; E32-L35 PolarHBondContact O-N 2.91Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.1Å; L35-E38 PolarHBondContact O-N 3.45Å; L35-L39 HydrophobicContact CG-CD1 4.05Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.37Å; L35-L39 PolarHBondContact O-N 3.38Å
36	L	79	Confident	66.6	Low	69 Å²	69	95 Å²	95	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-36.7	174.7	-74.4	172.4	0	0	0	112.2	L20 E32 T34 L39 Q40	L20-L36 HydrophobicContact CD1-CD2 4.04Å; L20-L36 HydrophobicContact CD2-CD2 3.9Å; L20-L36 HydrophobicContact CD2-CG 4.01Å; E32-L36 HydrophobicContact CG-CD1 3.94Å; E32-L36 HydrophobicContact CG-CG 4.41Å; E32-L36 WeakPolarHBondContact O-CB 3.46Å; E32-L36 VanDerWaalsContact O-CG 3.29Å; E32-L36 WeakPolarHBondContact O-CG 3.47Å; E32-L36 PolarHBondContact O-N 3.05Å; T34-L36 PolarHBondContact O-N 2.84Å; L36-L39 HydrophobicContact CD2-CD1 4.42Å; L36-L39 PolarHBondContact O-N 3.08Å; L36-Q40 WeakPolarHBondContact O-CB 3.38Å; L36-Q40 PolarHBondContact O-N 3.38Å
37	S	69.8	Low	64.1	Low	64 Å²	64	90.4 Å²	90.4	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-65.7	-39.9	173.7	-178.2	0	0	0	0	112	R33 T34 L35 N41	R33-S37 WeakPolarHBondContact O-CB 3.47Å; R33-S37 PolarHBondContact O-N 3.29Å; T34-S37 WeakPolarHBondContact O-CB 3.42Å; T34-S37 PolarHBondContact O-N 2.96Å; T34-S37 VanDerWaalsContact O-N 3.16Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.1Å; S37-N41 VanDerWaalsContact O-CG 3.28Å; S37-N41 PolarHBondContact O-N 2.88Å; S37-N41 PolarHBondContact O-ND2 3.15Å
38	E	69.6	Low	61.7	Low	117 Å²	117	89.9 Å²	89.9	55%	0.547	47%	0.474	S	S	.	.	H	α-helix	trans	-69.5	-40.6	175.9	-71.7	-177.3	178.4	0	0	111.4	T34 L35 N41 A42	T34-E38 PolarHBondContact O-N 2.93Å; L35-E38 PolarHBondContact O-N 3.45Å; E38-N41 CarbonylContact O-C 3.59Å; E38-N41 WeakPolarHBondContact O-CB 3.35Å; E38-N41 PolarHBondContact O-N 3.2Å; E38-A42 WeakPolarHBondContact O-CB 3.27Å; E38-A42 PolarHBondContact O-N 2.86Å
39	L	70.5	Confident	59.3	Low	23 Å²	23	94.2 Å²	94.2	12%	0.12	49%	0.492	C	S	.	.	H	α-helix	trans	-65.9	-37.4	174.8	-75.6	164.1	0	0	0	112.6	M16 L35 L36 N41 A42 K43	M16-L39 HydrophobicContact CE-CD1 3.41Å; M16-L39 VanDerWaalsContact CE-CD1 3.41Å; M16-L39 HydrophobicContact CE-CD2 3.64Å; M16-L39 HydrophobicContact CE-CG 3.94Å; L35-L39 HydrophobicContact CG-CD1 4.05Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.37Å; L35-L39 PolarHBondContact O-N 3.38Å; L36-L39 HydrophobicContact CD2-CD1 4.42Å; L36-L39 PolarHBondContact O-N 3.08Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.04Å; L39-A42 CarbonylContact O-C 3.54Å; L39-A42 PolarHBondContact O-N 3.27Å; L39-K43 WeakPolarHBondContact O-CB 3.33Å; L39-K43 WeakPolarHBondContact O-CG 3.27Å; L39-K43 PolarHBondContact O-N 3.03Å
40	Q	62.5	Low	57.2	Low	142 Å²	142	92 Å²	92	66%	0.664	50%	0.498	S	S	*	.	H	α-helix	trans	-64.9	-37.2	174.6	-168.5	170.8	5.6	0	0	110.3	L36 V44	L36-Q40 WeakPolarHBondContact O-CB 3.38Å; L36-Q40 PolarHBondContact O-N 3.38Å; Q40-V44 WeakPolarHBondContact O-CB 3.46Å; Q40-V44 WeakPolarHBondContact O-CG2 3.45Å; Q40-V44 PolarHBondContact O-N 3.45Å
41	N	46.2	Very low	55	Low	98 Å²	98	93.7 Å²	93.7	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-67.4	-36.4	172	-67.4	-22.6	0	0	0	112.2	S37 E38 L39 V45	S37-N41 VanDerWaalsContact O-CG 3.28Å; S37-N41 PolarHBondContact O-N 2.88Å; S37-N41 PolarHBondContact O-ND2 3.15Å; E38-N41 CarbonylContact O-C 3.59Å; E38-N41 WeakPolarHBondContact O-CB 3.35Å; E38-N41 PolarHBondContact O-N 3.2Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.04Å; N41-V45 WeakPolarHBondContact O-CG2 3.1Å
42	A	47.4	Very low	52.7	Low	41 Å²	41	91.9 Å²	91.9	34%	0.339	50%	0.498	S	S	.	.	H	α-helix	trans	-79.1	-37.8	180	0	0	0	0	0	113.9	E38 L39 V44 V45 Q46	E38-A42 WeakPolarHBondContact O-CB 3.27Å; E38-A42 PolarHBondContact O-N 2.86Å; L39-A42 CarbonylContact O-C 3.54Å; L39-A42 PolarHBondContact O-N 3.27Å; A42-V44 VanDerWaalsContact C-N 3.31Å; A42-V44 PolarHBondContact O-N 3.27Å; A42-V45 CarbonylContact O-C 3.56Å; A42-V45 WeakPolarHBondContact O-CA 3.36Å; A42-V45 WeakPolarHBondContact O-CB 3.37Å; A42-V45 PolarHBondContact O-N 2.83Å; A42-Q46 PolarHBondContact O-N 3.03Å
43	K	41.4	Very low	50.6	Low	95 Å²	95	99.1 Å²	99.1	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-29.9	175.2	-73.2	-165	176.1	-157.6	0	111.4	D13 L39 V45 Q46 S47	D13-K43 IonicContact OD1-NZ 3.4Å; D13-K43 PolarHBondContact OD1-NZ 2.84Å; D13-K43 IonicContact OD2-NZ 3.97Å; L39-K43 WeakPolarHBondContact O-CB 3.33Å; L39-K43 WeakPolarHBondContact O-CG 3.27Å; L39-K43 PolarHBondContact O-N 3.03Å; K43-V45 PolarHBondContact O-N 3.38Å; K43-Q46 PolarHBondContact O-N 2.79Å; K43-S47 WeakPolarHBondContact O-CB 3.44Å; K43-S47 PolarHBondContact O-N 3.38Å; K43-S47 PolarHBondContact O-OG 3.37Å
44	V	38	Very low	48.4	Very low	100 Å²	100	95.3 Å²	95.3	61%	0.606	53%	0.528	S	S	*	.	H	α-helix	trans	-63.3	-25.5	167.6	168.9	0	0	0	0	112	Q40 A42	Q40-V44 WeakPolarHBondContact O-CB 3.46Å; Q40-V44 WeakPolarHBondContact O-CG2 3.45Å; Q40-V44 PolarHBondContact O-N 3.45Å; A42-V44 VanDerWaalsContact C-N 3.31Å; A42-V44 PolarHBondContact O-N 3.27Å
45	V	36.2	Very low	46.3	Very low	111 Å²	111	95.7 Å²	95.7	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-84.1	-37.8	174.2	178.1	0	0	0	0	111.4	N41 A42 K43	N41-V45 WeakPolarHBondContact O-CG2 3.1Å; A42-V45 CarbonylContact O-C 3.56Å; A42-V45 WeakPolarHBondContact O-CA 3.36Å; A42-V45 WeakPolarHBondContact O-CB 3.37Å; A42-V45 PolarHBondContact O-N 2.83Å; K43-V45 PolarHBondContact O-N 3.38Å
46	Q	34.8	Very low	45	Very low	92 Å²	92	96.5 Å²	96.5	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-88	-30.2	-175.4	-69.8	179.8	-6.3	0	0	114.8	A42 K43 G48 E49	A42-Q46 PolarHBondContact O-N 3.03Å; K43-Q46 PolarHBondContact O-N 2.79Å; Q46-G48 PolarHBondContact O-N 2.88Å; Q46-E49 PolarHBondContact O-N 3.47Å
47	S	34.1	Very low	43.2	Very low	79 Å²	79	95.9 Å²	95.9	55%	0.552	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	10.4	173.8	75.4	0	0	0	0	113.2	K43 E49	K43-S47 WeakPolarHBondContact O-CB 3.44Å; K43-S47 PolarHBondContact O-N 3.38Å; K43-S47 PolarHBondContact O-OG 3.37Å; S47-E49 VanDerWaalsContact C-N 3.32Å
48	G	30.5	Very low	41.9	Very low	40 Å²	40	99.3 Å²	99.3	41%	0.412	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.6	168.5	0	0	0	0	0	113.5	Q46	Q46-G48 PolarHBondContact O-N 2.88Å
49	E	34.3	Very low	40.6	Very low	167 Å²	167	102.2 Å²	102.2	78%	0.78	55%	0.55	S	S	*	*	S	Bend	trans	-116.6	114.8	-174.6	-63	-174.9	162.5	0	0	109.8	Q46 S47	Q46-E49 PolarHBondContact O-N 3.47Å; S47-E49 VanDerWaalsContact C-N 3.32Å
50	S	36.2	Very low	39.4	Very low	121 Å²	121	103.4 Å²	103.4	85%	0.846	56%	0.558	S	S	*	*	S	Bend	trans	76.7	106.4	-172.7	-100.7	0	0	0	0	116.5
51	E	31.5	Very low	38.5	Very low	195 Å²	195	105.5 Å²	105.5	91%	0.911	56%	0.56	S	S	*	*	S	Bend	trans	88.6	1.1	169.5	-60.4	-164.4	151.6	0	0	121.6
52	A	29.3	Very low	38.2	Very low	35 Å²	35	108.7 Å²	108.7	29%	0.289	57%	0.572	S	S	.	*			trans	-120.7	22.8	-178.8	0	0	0	0	0	117.7	T54 S56	A52-T54 VanDerWaalsContact C-N 3.27Å; A52-T54 PolarHBondContact O-N 2.95Å; A52-S56 PolarHBondContact O-N 2.87Å; A52-S56 PolarHBondContact O-OG 3.49Å
53	K	37	Very low	37.9	Very low	181 Å²	181	110.8 Å²	110.8	79%	0.787	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-15.1	179.4	-76.6	-173.4	179.2	177.6	0	114.8
54	T	32.3	Very low	37.8	Very low	116 Å²	116	107.7 Å²	107.7	71%	0.712	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-36.5	173.6	31.6	0	0	0	0	113.3	A52 S56 V57	A52-T54 VanDerWaalsContact C-N 3.27Å; A52-T54 PolarHBondContact O-N 2.95Å; T54-S56 VanDerWaalsContact C-N 3.28Å; T54-S56 PolarHBondContact O-N 2.95Å; T54-V57 PolarHBondContact O-N 3.44Å
55	D	34.5	Very low	37.9	Very low	82 Å²	82	106.2 Å²	106.2	44%	0.439	58%	0.584	S	S	.	*	H	α-helix	trans	-67.4	-23.2	-179.3	-93.6	15.5	0	0	0	114.3	V57 R59	D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 2.79Å; D55-R59 PolarHBondContact O-N 3.28Å
56	S	49.3	Very low	38.7	Very low	58 Å²	58	102.9 Å²	102.9	41%	0.406	57%	0.566	S	S	.	*	H	α-helix	trans	-65.6	-34.6	177.3	52.1	0	0	0	0	112.4	A52 T54 V60	A52-S56 PolarHBondContact O-N 2.87Å; A52-S56 PolarHBondContact O-OG 3.49Å; T54-S56 VanDerWaalsContact C-N 3.28Å; T54-S56 PolarHBondContact O-N 2.95Å; S56-V60 VanDerWaalsContact O-CB 3.27Å; S56-V60 WeakPolarHBondContact O-CB 3.25Å; S56-V60 WeakPolarHBondContact O-CG2 3.4Å; S56-V60 PolarHBondContact O-N 3.01Å; S56-V60 VanDerWaalsContact O-N 3.08Å
57	V	42	Very low	39.4	Very low	56 Å²	56	105.4 Å²	105.4	34%	0.339	58%	0.582	S	S	.	*	H	α-helix	trans	-74.8	-38.1	179.4	-176.7	0	0	0	0	111.1	T54 D55 V60 R61	T54-V57 PolarHBondContact O-N 3.44Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 2.79Å; V57-V60 PolarHBondContact O-N 3.17Å; V57-R61 WeakPolarHBondContact O-CB 3.42Å; V57-R61 PolarHBondContact O-N 3.43Å
58	E	41.4	Very low	40.6	Very low	136 Å²	136	103.6 Å²	103.6	64%	0.636	57%	0.565	S	S	*	*	H	α-helix	trans	-71.8	-41.9	177.8	-71.1	-165.3	162.8	0	0	112.8	V60 R61 E62	E58-V60 VanDerWaalsContact C-N 3.29Å; E58-V60 PolarHBondContact O-N 3.39Å; E58-R61 WeakPolarHBondContact O-CB 3.26Å; E58-R61 PolarHBondContact O-N 2.84Å; E58-R61 VanDerWaalsContact O-N 3.13Å; E58-E62 PolarHBondContact O-N 2.93Å
59	R	43.2	Very low	42.1	Very low	179 Å²	179	110.7 Å²	110.7	68%	0.675	58%	0.584	S	S	*	*	H	α-helix	trans	-64	-34.4	171.6	-79.4	-175.9	179.4	162.3	5	112.6	D55 R61 E62 A63	D55-R59 PolarHBondContact O-N 3.28Å; R59-R61 VanDerWaalsContact C-N 3.35Å; R59-E62 PolarHBondContact O-N 3.41Å; R59-A63 WeakPolarHBondContact O-CB 3.5Å; R59-A63 PolarHBondContact O-N 3.08Å
60	V	44.4	Very low	44.2	Very low	48 Å²	48	106.4 Å²	106.4	29%	0.291	57%	0.567	S	S	.	*	H	α-helix	trans	-71	-33.6	173.6	174.1	0	0	0	0	111.1	S56 V57 E58 E62 A63 C64 M161	S56-V60 VanDerWaalsContact O-CB 3.27Å; S56-V60 WeakPolarHBondContact O-CB 3.25Å; S56-V60 WeakPolarHBondContact O-CG2 3.4Å; S56-V60 PolarHBondContact O-N 3.01Å; S56-V60 VanDerWaalsContact O-N 3.08Å; V57-V60 PolarHBondContact O-N 3.17Å; E58-V60 VanDerWaalsContact C-N 3.29Å; E58-V60 PolarHBondContact O-N 3.39Å; V60-E62 VanDerWaalsContact C-N 3.33Å; V60-E62 PolarHBondContact O-N 2.93Å; V60-A63 PolarHBondContact O-N 2.91Å; V60-C64 WeakPolarHBondContact O-CB 3.4Å; V60-C64 PolarHBondContact O-N 3.35Å; V60-C64 PolarHBondContact O-SG 3.19Å; V60-M161 HydrophobicContact CB-CE 4.42Å; V60-M161 HydrophobicContact CG1-CB 4.5Å; V60-M161 HydrophobicContact CG1-CE 3.4Å; V60-M161 VanDerWaalsContact CG1-CE 3.4Å; V60-M161 HydrophobicContact CG1-SD 4.46Å
61	R	43.9	Very low	46.3	Very low	185 Å²	185	102.4 Å²	102.4	70%	0.698	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-33.2	172.1	-177	-178.9	158	157.9	-3.1	112.8	V57 E58 R59 C64	V57-R61 WeakPolarHBondContact O-CB 3.42Å; V57-R61 PolarHBondContact O-N 3.43Å; E58-R61 WeakPolarHBondContact O-CB 3.26Å; E58-R61 PolarHBondContact O-N 2.84Å; E58-R61 VanDerWaalsContact O-N 3.13Å; R59-R61 VanDerWaalsContact C-N 3.35Å; R61-C64 CarbonylContact O-C 3.5Å
62	E	40.3	Very low	48.9	Very low	165 Å²	165	98 Å²	98	77%	0.771	52%	0.517	S	S	*	.	H	α-helix	trans	-75	-33.9	171.9	-70.6	-176.5	164.3	0	0	112.7	E58 R59 V60	E58-E62 PolarHBondContact O-N 2.93Å; R59-E62 PolarHBondContact O-N 3.41Å; V60-E62 VanDerWaalsContact C-N 3.33Å; V60-E62 PolarHBondContact O-N 2.93Å
63	A	40.7	Very low	51.7	Low	86 Å²	86	99.7 Å²	99.7	71%	0.711	52%	0.518	S	S	*	.	H	α-helix	trans	-73.2	-37.3	177.1	0	0	0	0	0	112.7	R59 V60 G65	R59-A63 WeakPolarHBondContact O-CB 3.5Å; R59-A63 PolarHBondContact O-N 3.08Å; V60-A63 PolarHBondContact O-N 2.91Å; A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 3.34Å; A63-G65 VanDerWaalsContact O-N 3.16Å
64	C	39	Very low	54.1	Low	29 Å²	29	91.3 Å²	91.3	20%	0.196	48%	0.483	C	S	.	.	S	Bend	trans	-81.7	78.2	167.5	-65.4	0	0	0	0	107.8	V60 R61 S66	V60-C64 WeakPolarHBondContact O-CB 3.4Å; V60-C64 PolarHBondContact O-N 3.35Å; V60-C64 PolarHBondContact O-SG 3.19Å; R61-C64 CarbonylContact O-C 3.5Å; C64-S66 PolarHBondContact O-N 3.46Å; C64-S66 PolarHBondContact O-OG 3.38Å
65	G	41.4	Very low	56.9	Low	69 Å²	69	87.1 Å²	87.1	71%	0.711	46%	0.457	S	S	*	.			trans	-62.3	68.2	173.2	0	0	0	0	0	112.1	A63 D67	A63-G65 VanDerWaalsContact C-N 3.3Å; A63-G65 PolarHBondContact O-N 3.34Å; A63-G65 VanDerWaalsContact O-N 3.16Å; G65-D67 PolarHBondContact O-N 3.07Å
66	S	51.8	Low	59.6	Low	41 Å²	41	88.9 Å²	88.9	29%	0.287	46%	0.463	S	S	.	.			trans	-81.6	101.8	-172.8	52.5	0	0	0	0	109.5	C64 F68 E111	C64-S66 PolarHBondContact O-N 3.46Å; C64-S66 PolarHBondContact O-OG 3.38Å; S66-F68 PolarHBondContact O-N 3.44Å; S66-F68 VanDerWaalsContact O-N 3.11Å; S66-E111 VanDerWaalsContact CB-OE1 3.26Å; S66-E111 WeakPolarHBondContact CB-OE1 3.27Å
67	D	51.5	Low	61.6	Low	146 Å²	146	86.7 Å²	86.7	78%	0.781	45%	0.446	S	S	*	.			trans	-74.3	22.2	162.6	-83.7	-35	0	0	0	111.9	G65 K69	G65-D67 PolarHBondContact O-N 3.07Å; D67-K69 VanDerWaalsContact C-N 3.31Å; D67-K69 PolarHBondContact O-N 3.33Å
68	F	57.8	Low	64.1	Low	41 Å²	41	84 Å²	84	18%	0.18	43%	0.43	C	S	.	.			trans	-78	76.1	-177.7	-74.6	-93.2	0	0	0	111.2	S66 C74 E111 L191	S66-F68 PolarHBondContact O-N 3.44Å; S66-F68 VanDerWaalsContact O-N 3.11Å; F68-C74 WeakPolarHBondContact CD1-SG 3.37Å; F68-C74 VanDerWaalsContact CE1-SG 3.58Å; F68-E111 WeakPolarHBondContact CD2-OE1 3.36Å; F68-E111 WeakPolarHBondContact CE1-OE2 3.45Å; F68-E111 WeakPolarHBondContact CE2-OE1 3.39Å; F68-E111 WeakPolarHBondContact CE2-OE2 3.33Å; F68-E111 WeakPolarHBondContact CG-OE1 3.33Å; F68-E111 WeakPolarHBondContact CZ-OE2 3.46Å; F68-L191 HydrophobicContact CE2-CD1 4.33Å; F68-L191 HydrophobicContact CZ-CB 4.31Å; F68-L191 HydrophobicContact CZ-CD1 3.85Å
69	K	61.6	Low	66.6	Low	189 Å²	189	80.9 Å²	80.9	82%	0.822	42%	0.415	S	S	*	.			trans	-80.6	-21.3	175.8	-67.2	-178.4	-176.5	172.7	0	113.1	D67	D67-K69 VanDerWaalsContact C-N 3.31Å; D67-K69 PolarHBondContact O-N 3.33Å
70	N	78.4	Confident	68.9	Low	77 Å²	77	75 Å²	75	41%	0.412	40%	0.402	S	S	.	.			trans	-129	95.8	-172.7	-162.6	-2	0	0	0	112.5	Q73 C74	N70-Q73 HydrophobicContact CB-CB 3.93Å; N70-Q73 PolarHBondContact O-N 3.16Å; N70-C74 PolarHBondContact O-N 2.65Å; N70-C74 PolarHBondContact O-SG 3.03Å; N70-C74 VanDerWaalsContact O-SG 3.34Å
71	F	82	Confident	71.3	Confident	36 Å²	36	72.9 Å²	72.9	16%	0.158	39%	0.388	C	S	.	.	H	α-helix	trans	-65.8	-38.8	-179.7	-61.1	-75.5	0	0	0	112.7	Q73 C74 V75 F112 L115 K117 I120	F71-Q73 VanDerWaalsContact C-N 3.28Å; F71-Q73 PolarHBondContact O-N 2.82Å; F71-C74 WeakPolarHBondContact O-CB 3.48Å; F71-C74 PolarHBondContact O-N 3.26Å; F71-V75 PolarHBondContact O-N 3.48Å; F71-F112 HydrophobicContact CB-CE1 4.46Å; F71-F112 AromaticContact CD1-CD1 3.64Å; F71-F112 HydrophobicContact CD1-CD1 3.64Å; F71-F112 AromaticContact CD1-CE1 3.73Å; F71-F112 HydrophobicContact CD1-CE1 3.73Å; F71-F112 HydrophobicContact CE1-CD1 4.13Å; F71-L115 HydrophobicContact CE1-CB 4.21Å; F71-L115 HydrophobicContact CE1-CD1 3.54Å; F71-L115 HydrophobicContact CZ-CB 4.05Å; F71-L115 HydrophobicContact CZ-CD1 3.75Å; F71-L115 HydrophobicContact CZ-CG 4.49Å; F71-K117 HydrophobicContact CD2-CG 4.44Å; F71-K117 HydrophobicContact CE1-CG 4.27Å; F71-K117 HydrophobicContact CE2-CG 4Å; F71-K117 HydrophobicContact CZ-CG 3.9Å; F71-I120 HydrophobicContact CB-CD1 3.99Å; F71-I120 HydrophobicContact CG-CD1 4.31Å
72	D	85	Confident	73.6	Confident	104 Å²	104	65.4 Å²	65.4	56%	0.556	36%	0.362	S	S	*	.	H	α-helix	trans	-63.1	-37.8	179.7	-63.8	-32.8	0	0	0	111.2	C74 V75 Q76	D72-C74 VanDerWaalsContact C-N 3.31Å; D72-C74 PolarHBondContact O-N 3.4Å; D72-V75 PolarHBondContact O-N 3.41Å; D72-Q76 WeakPolarHBondContact O-CB 3.47Å; D72-Q76 VanDerWaalsContact O-CG 3.26Å; D72-Q76 WeakPolarHBondContact O-CG 3.38Å; D72-Q76 PolarHBondContact O-N 2.98Å
73	Q	87.6	Confident	76.2	Confident	69 Å²	69	61.6 Å²	61.6	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-40.5	173.6	178.3	179.7	-8	0	0	111.6	N70 F71 Q76 E77	N70-Q73 HydrophobicContact CB-CB 3.93Å; N70-Q73 PolarHBondContact O-N 3.16Å; F71-Q73 VanDerWaalsContact C-N 3.28Å; F71-Q73 PolarHBondContact O-N 2.82Å; Q73-Q76 PolarHBondContact O-N 3.28Å; Q73-E77 HydrophobicContact CG-CG 4.26Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.17Å; Q73-E77 PolarHBondContact NE2-OE1 2.95Å; Q73-E77 WeakPolarHBondContact O-CB 3.45Å; Q73-E77 WeakPolarHBondContact O-CG 3.37Å; Q73-E77 PolarHBondContact O-N 3.5Å
74	C	87.6	Confident	78.6	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-39.4	-178.5	-60	0	0	0	0	111.9	F68 N70 F71 D72 Q76 E77 Y78 L108	F68-C74 WeakPolarHBondContact CD1-SG 3.37Å; F68-C74 VanDerWaalsContact CE1-SG 3.58Å; N70-C74 PolarHBondContact O-N 2.65Å; N70-C74 PolarHBondContact O-SG 3.03Å; N70-C74 VanDerWaalsContact O-SG 3.34Å; F71-C74 WeakPolarHBondContact O-CB 3.48Å; F71-C74 PolarHBondContact O-N 3.26Å; D72-C74 VanDerWaalsContact C-N 3.31Å; D72-C74 PolarHBondContact O-N 3.4Å; C74-Q76 VanDerWaalsContact C-N 3.34Å; C74-E77 PolarHBondContact O-N 3.42Å; C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 3.11Å; C74-L108 HydrophobicContact CB-CD2 4.04Å
75	V	90.8	Very high	81.1	Confident	28 Å²	28	56.5 Å²	56.5	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-39.9	174.7	177.1	0	0	0	0	111	F71 D72 Y78 E79 F112 F124 Y128	F71-V75 PolarHBondContact O-N 3.48Å; D72-V75 PolarHBondContact O-N 3.41Å; V75-Y78 PolarHBondContact O-N 3.02Å; V75-E79 PolarHBondContact O-N 3.4Å; V75-E79 VanDerWaalsContact O-N 3.09Å; V75-F112 HydrophobicContact CG2-CE2 4.34Å; V75-F112 HydrophobicContact CG2-CZ 3.97Å; V75-F124 HydrophobicContact CG1-CD2 4.39Å; V75-F124 HydrophobicContact CG2-CD2 4.1Å; V75-Y128 HydrophobicContact CG1-CE2 3.93Å
76	Q	91.1	Very high	83.4	Confident	120 Å²	120	59.8 Å²	59.8	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-68.9	-39.8	175.6	-71.5	171.8	12.9	0	0	112.8	D72 Q73 C74 Y78 E79 S80	D72-Q76 WeakPolarHBondContact O-CB 3.47Å; D72-Q76 VanDerWaalsContact O-CG 3.26Å; D72-Q76 WeakPolarHBondContact O-CG 3.38Å; D72-Q76 PolarHBondContact O-N 2.98Å; Q73-Q76 PolarHBondContact O-N 3.28Å; C74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Q76-E79 PolarHBondContact O-N 2.96Å; Q76-S80 WeakPolarHBondContact O-CB 3.15Å; Q76-S80 PolarHBondContact O-N 3.32Å; Q76-S80 PolarHBondContact O-OG 2.76Å
77	E	92.5	Very high	85.3	Confident	11 Å²	11	62.8 Å²	62.8	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-37.1	175.6	-77.7	-172.4	-153.4	0	0	111.1	Q73 C74 S80 L81 L185 A187 L188	Q73-E77 HydrophobicContact CG-CG 4.26Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.17Å; Q73-E77 PolarHBondContact NE2-OE1 2.95Å; Q73-E77 WeakPolarHBondContact O-CB 3.45Å; Q73-E77 WeakPolarHBondContact O-CG 3.37Å; Q73-E77 PolarHBondContact O-N 3.5Å; C74-E77 PolarHBondContact O-N 3.42Å; E77-S80 PolarHBondContact O-N 2.96Å; E77-L81 WeakPolarHBondContact O-CB 2.74Å; E77-L81 PolarHBondContact O-N 3.14Å; E77-L185 HydrophobicContact CB-CD2 4.01Å; E77-L185 HydrophobicContact CG-CB 4.49Å; E77-L185 HydrophobicContact CG-CD2 3.92Å; E77-L185 VanDerWaalsContact OE2-C 3.31Å; E77-A187 WeakPolarHBondContact OE1-CB 3.16Å; E77-A187 PolarHBondContact OE1-N 3Å; E77-A187 WeakPolarHBondContact OE2-CA 3.19Å; E77-A187 VanDerWaalsContact OE2-CB 3.31Å; E77-A187 WeakPolarHBondContact OE2-CB 3.45Å; E77-A187 PolarHBondContact OE2-N 3.4Å; E77-L188 HydrophobicContact CB-CB 4.4Å; E77-L188 PolarHBondContact OE2-N 3.15Å
78	Y	93.7	Very high	87.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-44.3	173.3	-176.3	-100.2	0	0	0	112.3	C74 V75 Q76 S80 L81 Q82 L101 I104 F105 L108 F124 Y128 H132	C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 3.11Å; V75-Y78 PolarHBondContact O-N 3.02Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-S80 VanDerWaalsContact C-N 3.31Å; Y78-S80 PolarHBondContact O-N 2.89Å; Y78-L81 WeakPolarHBondContact O-CB 3.2Å; Y78-L81 PolarHBondContact O-N 3.34Å; Y78-Q82 HydrophobicContact CE1-CG 4.11Å; Y78-Q82 PolarHBondContact O-N 3.39Å; Y78-L101 HydrophobicContact CE2-CD2 4.42Å; Y78-I104 HydrophobicContact CD2-CG2 3.82Å; Y78-I104 HydrophobicContact CE2-CB 4.47Å; Y78-I104 HydrophobicContact CE2-CG2 4.11Å; Y78-F105 HydrophobicContact CE2-CB 4.18Å; Y78-L108 HydrophobicContact CD2-CD1 3.95Å; Y78-L108 HydrophobicContact CG-CD1 4.16Å; Y78-F124 AromaticContact CD1-CE2 3.79Å; Y78-F124 HydrophobicContact CD1-CE2 3.79Å; Y78-F124 AromaticContact CD1-CZ 3.94Å; Y78-F124 HydrophobicContact CD1-CZ 3.94Å; Y78-F124 HydrophobicContact CD2-CZ 4.5Å; Y78-F124 HydrophobicContact CE1-CE2 4.31Å; Y78-F124 HydrophobicContact CE1-CZ 4.16Å; Y78-F124 HydrophobicContact CG-CE2 4.15Å; Y78-F124 HydrophobicContact CG-CZ 4.12Å; Y78-Y128 HydrophobicContact CD1-CD1 4.07Å; Y78-Y128 HydrophobicContact CD1-CD2 4.17Å; Y78-Y128 HydrophobicContact CD1-CE1 4.2Å; Y78-Y128 HydrophobicContact CD1-CE2 4.28Å; Y78-Y128 HydrophobicContact CD1-CG 4.05Å; Y78-Y128 AromaticContact CE1-CD1 3.8Å; Y78-Y128 HydrophobicContact CE1-CD1 3.8Å; Y78-Y128 HydrophobicContact CE1-CD2 4.24Å; Y78-Y128 HydrophobicContact CE1-CE1 4.37Å; Y78-Y128 AromaticContact CE1-CG 3.73Å; Y78-Y128 HydrophobicContact CE1-CG 3.73Å; Y78-H132 PolarHBondContact OH-CE1 3Å; Y78-H132 PolarHBondContact OH-NE2 3.36Å; Y78-H132 VanDerWaalsContact OH-NE2 3.1Å
79	E	93.6	Very high	88.7	Confident	70 Å²	70	60.9 Å²	60.9	33%	0.327	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-41.2	174.4	-168.4	160.7	-156.6	0	0	111.5	V75 Q76 Q82 N83 K127 Y128	V75-E79 PolarHBondContact O-N 3.4Å; V75-E79 VanDerWaalsContact O-N 3.09Å; Q76-E79 PolarHBondContact O-N 2.96Å; E79-Q82 PolarHBondContact O-N 3.35Å; E79-N83 VanDerWaalsContact O-CG 3.32Å; E79-N83 PolarHBondContact O-N 3.37Å; E79-N83 PolarHBondContact O-ND2 2.67Å; E79-N83 VanDerWaalsContact O-ND2 3.15Å; E79-K127 VanDerWaalsContact CD-NZ 3.27Å; E79-K127 IonicContact OE1-NZ 2.81Å; E79-K127 PolarHBondContact OE1-NZ 2.81Å; E79-K127 IonicContact OE2-NZ 3.66Å; E79-K127 PolarHBondContact OE2-NZ 3.45Å; E79-Y128 HydrophobicContact CB-CE1 4.5Å; E79-Y128 WeakPolarHBondContact CB-OH 3.22Å; E79-Y128 PolarHBondContact OE2-OH 2.92Å
80	S	93.2	Very high	90	Very high	57 Å²	57	53.6 Å²	53.6	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-38.5	176.3	-59.1	0	0	0	0	111.9	Q76 E77 Y78 N83 A84	Q76-S80 WeakPolarHBondContact O-CB 3.15Å; Q76-S80 PolarHBondContact O-N 3.32Å; Q76-S80 PolarHBondContact O-OG 2.76Å; E77-S80 PolarHBondContact O-N 2.96Å; Y78-S80 VanDerWaalsContact C-N 3.31Å; Y78-S80 PolarHBondContact O-N 2.89Å; S80-N83 PolarHBondContact O-N 2.92Å; S80-A84 VanDerWaalsContact O-CB 3.27Å; S80-A84 WeakPolarHBondContact O-CB 3.26Å; S80-A84 PolarHBondContact O-N 3.28Å
81	L	93.6	Very high	90.5	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-49.9	173.3	177.7	67.7	0	0	0	111.3	E77 Y78 N83 A84 L85 L101 I104 I181 L185 L188	E77-L81 WeakPolarHBondContact O-CB 2.74Å; E77-L81 PolarHBondContact O-N 3.14Å; Y78-L81 WeakPolarHBondContact O-CB 3.2Å; Y78-L81 PolarHBondContact O-N 3.34Å; L81-N83 VanDerWaalsContact C-N 3.3Å; L81-N83 PolarHBondContact O-N 3.4Å; L81-A84 PolarHBondContact O-N 2.74Å; L81-L85 HydrophobicContact CD1-CD1 4.24Å; L81-L85 HydrophobicContact CD1-CD2 4.43Å; L81-L85 HydrophobicContact CD1-CG 4.07Å; L81-L85 HydrophobicContact CG-CD1 4.14Å; L81-L85 HydrophobicContact CG-CG 4.31Å; L81-L85 WeakPolarHBondContact O-CG 3.34Å; L81-L85 PolarHBondContact O-N 2.73Å; L81-L101 HydrophobicContact CD2-CD2 4.15Å; L81-L101 HydrophobicContact CG-CD2 4.38Å; L81-I104 HydrophobicContact CD2-CD1 3.59Å; L81-I181 HydrophobicContact CD1-CG2 4Å; L81-L185 HydrophobicContact CB-CD1 3.79Å; L81-L185 HydrophobicContact CD1-CD1 4.16Å; L81-L188 HydrophobicContact CB-CD1 4.13Å; L81-L188 HydrophobicContact CD2-CD1 3.77Å; L81-L188 HydrophobicContact CD2-CD2 3.94Å; L81-L188 HydrophobicContact CD2-CG 4.48Å
82	Q	93	Very high	90.9	Very high	29 Å²	29	62.2 Å²	62.2	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-57	-45.9	178.5	-72.7	-176.2	-47.3	0	0	111.2	Y78 E79 L85 Q86 L101 Y128	Y78-Q82 HydrophobicContact CE1-CG 4.11Å; Y78-Q82 PolarHBondContact O-N 3.39Å; E79-Q82 PolarHBondContact O-N 3.35Å; Q82-L85 PolarHBondContact O-N 2.7Å; Q82-Q86 PolarHBondContact O-N 2.75Å; Q82-Q86 VanDerWaalsContact O-N 3.1Å; Q82-L101 HydrophobicContact CG-CD2 3.7Å; Q82-Y128 VanDerWaalsContact OE1-CD1 3.26Å
83	N	93.5	Very high	91.2	Very high	85 Å²	85	57.2 Å²	57.2	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-42.5	177	-71.5	-32.3	0	0	0	112.2	E79 S80 L81 Q86 T87	E79-N83 VanDerWaalsContact O-CG 3.32Å; E79-N83 PolarHBondContact O-N 3.37Å; E79-N83 PolarHBondContact O-ND2 2.67Å; E79-N83 VanDerWaalsContact O-ND2 3.15Å; S80-N83 PolarHBondContact O-N 2.92Å; L81-N83 VanDerWaalsContact C-N 3.3Å; L81-N83 PolarHBondContact O-N 3.4Å; N83-Q86 PolarHBondContact O-N 3.12Å; N83-T87 WeakPolarHBondContact O-CB 3.46Å; N83-T87 WeakPolarHBondContact O-CG2 3.36Å; N83-T87 PolarHBondContact O-N 2.65Å; N83-T87 PolarHBondContact O-OG1 3.01Å
84	A	92.3	Very high	91.5	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-42.2	178.4	0	0	0	0	0	112.1	S80 L81 Q86 T87 M88 V89 I181	S80-A84 VanDerWaalsContact O-CB 3.27Å; S80-A84 WeakPolarHBondContact O-CB 3.26Å; S80-A84 PolarHBondContact O-N 3.28Å; L81-A84 PolarHBondContact O-N 2.74Å; A84-Q86 VanDerWaalsContact C-N 3.26Å; A84-Q86 PolarHBondContact O-N 3.18Å; A84-T87 PolarHBondContact O-N 3.26Å; A84-M88 HydrophobicContact CB-CE 4.26Å; A84-M88 HydrophobicContact CB-SD 4.28Å; A84-M88 WeakPolarHBondContact O-CB 3.4Å; A84-M88 PolarHBondContact O-N 3.12Å; A84-V89 PolarHBondContact O-N 3.39Å; A84-I181 HydrophobicContact CB-CD1 4.25Å; A84-I181 HydrophobicContact CB-CG1 4.28Å; A84-I181 HydrophobicContact CB-CG2 3.71Å
85	L	91.5	Very high	91.6	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-32.7	175.2	-68.8	-177.1	0	0	0	112.4	L81 Q82 V89 K94 L97 L101 I181	L81-L85 HydrophobicContact CD1-CD1 4.24Å; L81-L85 HydrophobicContact CD1-CD2 4.43Å; L81-L85 HydrophobicContact CD1-CG 4.07Å; L81-L85 HydrophobicContact CG-CD1 4.14Å; L81-L85 HydrophobicContact CG-CG 4.31Å; L81-L85 WeakPolarHBondContact O-CG 3.34Å; L81-L85 PolarHBondContact O-N 2.73Å; Q82-L85 PolarHBondContact O-N 2.7Å; L85-V89 HydrophobicContact CD2-CG2 3.8Å; L85-K94 WeakPolarHBondContact O-CE 3.26Å; L85-L97 HydrophobicContact CD2-CB 3.68Å; L85-L97 HydrophobicContact CD2-CD1 4.11Å; L85-L101 HydrophobicContact CD1-CD1 4.23Å; L85-L101 HydrophobicContact CD1-CD2 3.72Å; L85-L101 HydrophobicContact CD1-CG 3.83Å; L85-I181 HydrophobicContact CD2-CD1 4.05Å
86	Q	90.2	Very high	91.7	Very high	138 Å²	138	54.8 Å²	54.8	65%	0.645	27%	0.274	S	S	*	.	H	α-helix	trans	-77.5	-37.5	177.2	-169.9	172.7	2.5	0	0	112.8	Q82 N83 A84 K94	Q82-Q86 PolarHBondContact O-N 2.75Å; Q82-Q86 VanDerWaalsContact O-N 3.1Å; N83-Q86 PolarHBondContact O-N 3.12Å; A84-Q86 VanDerWaalsContact C-N 3.26Å; A84-Q86 PolarHBondContact O-N 3.18Å; Q86-K94 PolarHBondContact O-NZ 3.38Å
87	T	91.2	Very high	91.8	Very high	104 Å²	104	49.1 Å²	49.1	64%	0.638	25%	0.247	S	C	*	.	H	α-helix	trans	-107.7	-38.4	-167	58.9	0	0	0	0	115.4	N83 A84	N83-T87 WeakPolarHBondContact O-CB 3.46Å; N83-T87 WeakPolarHBondContact O-CG2 3.36Å; N83-T87 PolarHBondContact O-N 2.65Å; N83-T87 PolarHBondContact O-OG1 3.01Å; A84-T87 PolarHBondContact O-N 3.26Å
88	M	88.5	Confident	91.8	Very high	138 Å²	138	51.2 Å²	51.2	68%	0.68	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-26.5	-171.1	-57.9	-171.7	-156	0	0	113.5	A84	A84-M88 HydrophobicContact CB-CE 4.26Å; A84-M88 HydrophobicContact CB-SD 4.28Å; A84-M88 WeakPolarHBondContact O-CB 3.4Å; A84-M88 PolarHBondContact O-N 3.12Å
89	V	90.8	Very high	91.6	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.048	26%	0.263	C	S	.	.	S	Bend	trans	-78.2	142.1	-176.8	171.2	0	0	0	0	111.6	A84 L85 C93 K94 L97 E177 I181	A84-V89 PolarHBondContact O-N 3.39Å; L85-V89 HydrophobicContact CD2-CG2 3.8Å; V89-C93 HydrophobicContact CG1-CB 4.03Å; V89-K94 HydrophobicContact CB-CG 4.21Å; V89-K94 HydrophobicContact CG1-CB 4.44Å; V89-K94 HydrophobicContact CG1-CG 3.64Å; V89-K94 WeakPolarHBondContact O-CE 3.45Å; V89-L97 HydrophobicContact CG1-CD1 3.75Å; V89-L97 HydrophobicContact CG2-CD1 3.89Å; V89-E177 VanDerWaalsContact CG1-OE2 3.29Å; V89-E177 WeakPolarHBondContact CG1-OE2 3.35Å; V89-I181 HydrophobicContact CG2-CD1 3.39Å
90	S	90.6	Very high	91.4	Very high	37 Å²	37	48.6 Å²	48.6	26%	0.259	25%	0.248	S	C	.	.			trans	-67.4	139.9	174.9	63.8	0	0	0	0	111.4	R92 C93 K94 E177	S90-R92 PolarHBondContact O-N 3.09Å; S90-C93 PolarHBondContact O-N 2.95Å; S90-C93 PolarHBondContact OG-SG 3.32Å; S90-C93 VanDerWaalsContact OG-SG 3.41Å; S90-K94 WeakPolarHBondContact O-CG 3.31Å; S90-K94 PolarHBondContact O-N 3.19Å; S90-E177 VanDerWaalsContact CB-OE1 3.29Å; S90-E177 WeakPolarHBondContact CB-OE1 3.44Å; S90-E177 PolarHBondContact N-OE2 3.03Å; S90-E177 VanDerWaalsContact OG-CD 3.28Å; S90-E177 PolarHBondContact OG-OE1 3.19Å; S90-E177 PolarHBondContact OG-OE2 2.88Å
91	E	89	Confident	91.4	Very high	141 Å²	141	47.2 Å²	47.2	66%	0.659	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-29.2	179.8	-66.7	-58.2	141.1	0	0	113.8	K94	E91-K94 WeakPolarHBondContact OE1-CE 3.47Å; E91-K94 IonicContact OE1-NZ 3.56Å; E91-K94 PolarHBondContact OE1-NZ 3.2Å; E91-K94 IonicContact OE2-NZ 2.93Å
92	R	89.8	Confident	91.3	Very high	152 Å²	152	47.3 Å²	47.3	57%	0.574	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-37.2	178	172	175.1	-75.3	-163	-1.7	113.1	S90 E173 A205	S90-R92 PolarHBondContact O-N 3.09Å; R92-E173 WeakPolarHBondContact CD-OE2 3.32Å; R92-A205 HydrophobicContact CG-CB 3.76Å; R92-A205 WeakPolarHBondContact O-CB 3.46Å
93	C	92	Very high	91.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.5	-177.8	-61.3	0	0	0	0	112.8	V89 S90 P95 E96 L97	V89-C93 HydrophobicContact CG1-CB 4.03Å; S90-C93 PolarHBondContact O-N 2.95Å; S90-C93 PolarHBondContact OG-SG 3.32Å; S90-C93 VanDerWaalsContact OG-SG 3.41Å; C93-P95 VanDerWaalsContact C-CD 3.47Å; C93-E96 PolarHBondContact O-N 3.01Å; C93-E96 VanDerWaalsContact O-N 3.08Å; C93-L97 HydrophobicContact CB-CD1 4.23Å; C93-L97 PolarHBondContact O-N 3.43Å
94	K	92.7	Very high	91.1	Very high	33 Å²	33	42.3 Å²	42.3	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-48.5	-45.8	179.5	-72.4	-173.8	-178.2	-176	0	114	L85 Q86 V89 S90 E91 E96 L97 N98	L85-K94 WeakPolarHBondContact O-CE 3.26Å; Q86-K94 PolarHBondContact O-NZ 3.38Å; V89-K94 HydrophobicContact CB-CG 4.21Å; V89-K94 HydrophobicContact CG1-CB 4.44Å; V89-K94 HydrophobicContact CG1-CG 3.64Å; V89-K94 WeakPolarHBondContact O-CE 3.45Å; S90-K94 WeakPolarHBondContact O-CG 3.31Å; S90-K94 PolarHBondContact O-N 3.19Å; E91-K94 WeakPolarHBondContact OE1-CE 3.47Å; E91-K94 IonicContact OE1-NZ 3.56Å; E91-K94 PolarHBondContact OE1-NZ 3.2Å; E91-K94 IonicContact OE2-NZ 2.93Å; K94-E96 VanDerWaalsContact C-N 3.34Å; K94-E96 PolarHBondContact O-N 3.29Å; K94-L97 PolarHBondContact O-N 3.1Å; K94-N98 VanDerWaalsContact O-CB 3.26Å; K94-N98 WeakPolarHBondContact O-CB 3.34Å; K94-N98 PolarHBondContact O-N 3.24Å; K94-N98 PolarHBondContact O-ND2 3.27Å
95	P	91	Very high	91.1	Very high	18 Å²	18	42.1 Å²	42.1	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-35.3	-179.8	-23.6	35.1	0	0	0	113.9	C93 M211 R215	C93-P95 VanDerWaalsContact C-CD 3.47Å; P95-M211 HydrophobicContact CB-CB 4.45Å; P95-M211 HydrophobicContact CB-CG 3.88Å; P95-R215 PolarHBondContact O-NH2 3.28Å
96	E	92.5	Very high	91.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-75.9	-42.9	178.2	-63.7	-167.6	151.6	0	0	111.2	C93 K94 C99 L170 S171 S174 R206 M211	C93-E96 PolarHBondContact O-N 3.01Å; C93-E96 VanDerWaalsContact O-N 3.08Å; K94-E96 VanDerWaalsContact C-N 3.34Å; K94-E96 PolarHBondContact O-N 3.29Å; E96-C99 WeakPolarHBondContact O-CB 3.06Å; E96-C99 PolarHBondContact O-N 2.94Å; E96-L170 HydrophobicContact CB-CD2 3.84Å; E96-S171 WeakPolarHBondContact OE2-CB 3.43Å; E96-S171 PolarHBondContact OE2-N 3.05Å; E96-S171 PolarHBondContact OE2-OG 2.81Å; E96-S174 VanDerWaalsContact OE2-CB 3.27Å; E96-S174 WeakPolarHBondContact OE2-CB 3.32Å; E96-S174 PolarHBondContact OE2-OG 3.31Å; E96-R206 HydrophobicContact CG-CB 4.27Å; E96-R206 WeakPolarHBondContact OE1-CB 3.24Å; E96-R206 WeakPolarHBondContact OE1-CG 3.17Å; E96-R206 IonicContact OE1-CZ 3.42Å; E96-R206 PolarHBondContact OE1-N 3.46Å; E96-R206 IonicContact OE1-NE 3.8Å; E96-R206 PolarHBondContact OE1-NE 3.36Å; E96-R206 IonicContact OE1-NH2 3.31Å; E96-M211 HydrophobicContact CG-SD 4.14Å
97	L	92.6	Very high	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-73.5	-33	-176.2	-64.8	-177.9	0	0	0	113.4	L85 V89 C93 K94 C99 L100 L170 E177 L178	L85-L97 HydrophobicContact CD2-CB 3.68Å; L85-L97 HydrophobicContact CD2-CD1 4.11Å; V89-L97 HydrophobicContact CG1-CD1 3.75Å; V89-L97 HydrophobicContact CG2-CD1 3.89Å; C93-L97 HydrophobicContact CB-CD1 4.23Å; C93-L97 PolarHBondContact O-N 3.43Å; K94-L97 PolarHBondContact O-N 3.1Å; L97-C99 PolarHBondContact O-N 3.24Å; L97-C99 VanDerWaalsContact O-N 3.12Å; L97-L100 HydrophobicContact CD2-CD1 4.03Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 3.06Å; L97-L170 HydrophobicContact CD2-CD1 4.3Å; L97-L170 HydrophobicContact CD2-CD2 4.12Å; L97-E177 HydrophobicContact CD1-CB 4.13Å; L97-L178 HydrophobicContact CD2-CB 3.83Å; L97-L178 HydrophobicContact CD2-CD1 4.46Å
98	N	92.3	Very high	90.9	Very high	56 Å²	56	30.9 Å²	30.9	30%	0.299	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-62	-20	176.1	-76.3	-19.1	0	0	0	113.1	K94 L100 L101	K94-N98 VanDerWaalsContact O-CB 3.26Å; K94-N98 WeakPolarHBondContact O-CB 3.34Å; K94-N98 PolarHBondContact O-N 3.24Å; K94-N98 PolarHBondContact O-ND2 3.27Å; N98-L100 PolarHBondContact O-N 3.39Å; N98-L101 PolarHBondContact O-N 2.84Å
99	C	89.6	Confident	91	Very high	12 Å²	12	24.5 Å²	24.5	8%	0.081	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-65	-19.2	173.1	-72.5	0	0	0	0	114.1	E96 L97 P103 I168 M211 R215	E96-C99 WeakPolarHBondContact O-CB 3.06Å; E96-C99 PolarHBondContact O-N 2.94Å; L97-C99 PolarHBondContact O-N 3.24Å; L97-C99 VanDerWaalsContact O-N 3.12Å; C99-P103 WeakPolarHBondContact O-CD 3.38Å; C99-I168 HydrophobicContact CB-CG2 4.5Å; C99-M211 HydrophobicContact CB-CE 4.43Å; C99-M211 WeakPolarHBondContact SG-CE 3.37Å; C99-R215 VanDerWaalsContact SG-CZ 3.51Å; C99-R215 PolarHBondContact SG-NE 2.91Å; C99-R215 PolarHBondContact SG-NH2 2.68Å; C99-R215 VanDerWaalsContact SG-NH2 3.43Å
100	L	90.5	Very high	90.9	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-76.3	-25.6	179.7	-67.8	161.2	0	0	0	112.2	L97 N98 F102 P103 I104 I168 L178 V196	L97-L100 HydrophobicContact CD2-CD1 4.03Å; L97-L100 WeakPolarHBondContact O-CB 3.46Å; L97-L100 PolarHBondContact O-N 3.06Å; N98-L100 PolarHBondContact O-N 3.39Å; L100-F102 PolarHBondContact O-N 3.4Å; L100-P103 WeakPolarHBondContact O-CD 3.46Å; L100-I104 HydrophobicContact CB-CD1 3.87Å; L100-I104 WeakPolarHBondContact O-CB 3.15Å; L100-I104 VanDerWaalsContact O-CD1 3.25Å; L100-I104 WeakPolarHBondContact O-CD1 3.46Å; L100-I104 WeakPolarHBondContact O-CG1 3.38Å; L100-I104 PolarHBondContact O-N 3.02Å; L100-I168 HydrophobicContact CD2-CD1 3.47Å; L100-I168 VanDerWaalsContact CD2-CD1 3.47Å; L100-I168 HydrophobicContact CG-CD1 4.1Å; L100-L178 HydrophobicContact CD1-CD1 3.71Å; L100-L178 HydrophobicContact CD1-CD2 3.72Å; L100-L178 HydrophobicContact CD1-CG 4.33Å; L100-V196 HydrophobicContact CD2-CG1 4.2Å
101	L	92.7	Very high	90.6	Very high	27 Å²	27	23.5 Å²	23.5	14%	0.141	11%	0.109	C	C	.	.	H	α-helix	trans	-57.3	-50.7	-173.1	-72.6	175.9	0	0	0	112.6	Y78 L81 Q82 L85 N98 F105	Y78-L101 HydrophobicContact CE2-CD2 4.42Å; L81-L101 HydrophobicContact CD2-CD2 4.15Å; L81-L101 HydrophobicContact CG-CD2 4.38Å; Q82-L101 HydrophobicContact CG-CD2 3.7Å; L85-L101 HydrophobicContact CD1-CD1 4.23Å; L85-L101 HydrophobicContact CD1-CD2 3.72Å; L85-L101 HydrophobicContact CD1-CG 3.83Å; N98-L101 PolarHBondContact O-N 2.84Å; L101-F105 VanDerWaalsContact O-CB 3.32Å; L101-F105 WeakPolarHBondContact O-CB 3.33Å; L101-F105 PolarHBondContact O-N 3.39Å
102	F	91.8	Very high	90.6	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.022	8%	0.078	C	C	.	.	H	α-helix	trans	-69.4	-46.5	-176.8	174	-99.8	0	0	0	113.5	L100 I104 F105 A106 Y136 Y139 I140 F143 L218	L100-F102 PolarHBondContact O-N 3.4Å; F102-I104 VanDerWaalsContact C-N 3.31Å; F102-I104 PolarHBondContact O-N 3.48Å; F102-F105 HydrophobicContact CD2-CD1 4.37Å; F102-F105 HydrophobicContact CE2-CD1 4.45Å; F102-F105 WeakPolarHBondContact O-CB 3.36Å; F102-F105 PolarHBondContact O-N 2.92Å; F102-A106 WeakPolarHBondContact O-CB 3.32Å; F102-A106 PolarHBondContact O-N 3.05Å; F102-Y136 HydrophobicContact CB-CD1 4.16Å; F102-Y136 HydrophobicContact CB-CD2 3.92Å; F102-Y136 HydrophobicContact CB-CE1 4.24Å; F102-Y136 HydrophobicContact CB-CE2 4.01Å; F102-Y136 HydrophobicContact CB-CG 3.99Å; F102-Y136 AromaticContact CD1-CD1 3.24Å; F102-Y136 HydrophobicContact CD1-CD1 3.24Å; F102-Y136 AromaticContact CD1-CE1 3.36Å; F102-Y136 HydrophobicContact CD1-CE1 3.36Å; F102-Y136 AromaticContact CD1-CG 3.88Å; F102-Y136 HydrophobicContact CD1-CG 3.88Å; F102-Y136 AromaticContact CD2-CD1 3.86Å; F102-Y136 HydrophobicContact CD2-CD1 3.86Å; F102-Y136 HydrophobicContact CD2-CD2 4.37Å; F102-Y136 AromaticContact CD2-CG 3.69Å; F102-Y136 HydrophobicContact CD2-CG 3.69Å; F102-Y136 AromaticContact CE1-CD1 3.44Å; F102-Y136 HydrophobicContact CE1-CD1 3.44Å; F102-Y136 VanDerWaalsContact CE1-CD1 3.44Å; F102-Y136 AromaticContact CE1-CE1 3.81Å; F102-Y136 HydrophobicContact CE1-CE1 3.81Å; F102-Y136 HydrophobicContact CE1-CG 4.27Å; F102-Y136 HydrophobicContact CE2-CD1 4.04Å; F102-Y136 HydrophobicContact CE2-CG 4.12Å; F102-Y136 AromaticContact CG-CD1 3.45Å; F102-Y136 HydrophobicContact CG-CD1 3.45Å; F102-Y136 VanDerWaalsContact CG-CD1 3.45Å; F102-Y136 HydrophobicContact CG-CD2 4.01Å; F102-Y136 AromaticContact CG-CE1 3.83Å; F102-Y136 HydrophobicContact CG-CE1 3.83Å; F102-Y136 HydrophobicContact CG-CE2 4.35Å; F102-Y136 AromaticContact CG-CG 3.54Å; F102-Y136 HydrophobicContact CG-CG 3.54Å; F102-Y136 AromaticContact CZ-CD1 3.85Å; F102-Y136 HydrophobicContact CZ-CD1 3.85Å; F102-Y136 HydrophobicContact CZ-CG 4.39Å; F102-Y139 HydrophobicContact CE1-CD2 4.14Å; F102-Y139 AromaticContact CZ-CD2 3.8Å; F102-Y139 HydrophobicContact CZ-CD2 3.8Å; F102-Y139 HydrophobicContact CZ-CG 4.1Å; F102-I140 HydrophobicContact CE2-CD1 4.47Å; F102-I140 HydrophobicContact CE2-CG1 4.02Å; F102-F143 HydrophobicContact CE2-CE2 4.47Å; F102-F143 HydrophobicContact CZ-CE2 4.24Å; F102-L218 HydrophobicContact CE1-CD1 3.85Å; F102-L218 HydrophobicContact CZ-CD1 4.26Å
103	P	90.4	Very high	90.6	Very high	8 Å²	8	9.9 Å²	9.9	5%	0.052	5%	0.052	C	C	.	.	H	α-helix	trans	-56.6	-44.3	173.8	-30.2	39.3	0	0	0	112.6	C99 L100 A106 Y107 T166 I168	C99-P103 WeakPolarHBondContact O-CD 3.38Å; L100-P103 WeakPolarHBondContact O-CD 3.46Å; P103-A106 PolarHBondContact O-N 3.1Å; P103-Y107 HydrophobicContact CB-CD2 4.42Å; P103-Y107 HydrophobicContact CB-CE2 4.15Å; P103-Y107 WeakPolarHBondContact O-CD2 3.35Å; P103-Y107 PolarHBondContact O-N 2.87Å; P103-T166 HydrophobicContact CB-CG2 4.04Å; P103-T166 HydrophobicContact CG-CG2 3.84Å; P103-I168 HydrophobicContact CG-CD1 4.17Å
104	I	91	Very high	90.2	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-62.2	-46.2	177.2	-66.3	163.9	0	0	0	110.8	Y78 L81 L100 F102 A106 Y107 L108 L188 L191 I192	Y78-I104 HydrophobicContact CD2-CG2 3.82Å; Y78-I104 HydrophobicContact CE2-CB 4.47Å; Y78-I104 HydrophobicContact CE2-CG2 4.11Å; L81-I104 HydrophobicContact CD2-CD1 3.59Å; L100-I104 HydrophobicContact CB-CD1 3.87Å; L100-I104 WeakPolarHBondContact O-CB 3.15Å; L100-I104 VanDerWaalsContact O-CD1 3.25Å; L100-I104 WeakPolarHBondContact O-CD1 3.46Å; L100-I104 WeakPolarHBondContact O-CG1 3.38Å; L100-I104 PolarHBondContact O-N 3.02Å; F102-I104 VanDerWaalsContact C-N 3.31Å; F102-I104 PolarHBondContact O-N 3.48Å; I104-A106 VanDerWaalsContact C-N 3.3Å; I104-A106 PolarHBondContact O-N 2.99Å; I104-Y107 PolarHBondContact O-N 2.9Å; I104-L108 HydrophobicContact CG2-CD1 3.97Å; I104-L108 HydrophobicContact CG2-CG 4.35Å; I104-L108 WeakPolarHBondContact O-CB 3.39Å; I104-L108 WeakPolarHBondContact O-CG 3.32Å; I104-L108 PolarHBondContact O-N 3.31Å; I104-L188 HydrophobicContact CD1-CD2 4.08Å; I104-L188 HydrophobicContact CG2-CD1 3.86Å; I104-L188 HydrophobicContact CG2-CG 4.13Å; I104-L191 HydrophobicContact CG2-CD2 4.27Å; I104-I192 HydrophobicContact CD1-CD1 3.7Å; I104-I192 HydrophobicContact CD1-CG1 3.84Å; I104-I192 HydrophobicContact CG1-CD1 4.43Å; I104-I192 HydrophobicContact CG1-CG1 4.02Å
105	F	92.5	Very high	89.9	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-54.4	-47.1	173.9	170.3	-87.9	0	0	0	111.7	Y78 L101 F102 L108 Y109 F124 V125 H132 I140 F143	Y78-F105 HydrophobicContact CE2-CB 4.18Å; L101-F105 VanDerWaalsContact O-CB 3.32Å; L101-F105 WeakPolarHBondContact O-CB 3.33Å; L101-F105 PolarHBondContact O-N 3.39Å; F102-F105 HydrophobicContact CD2-CD1 4.37Å; F102-F105 HydrophobicContact CE2-CD1 4.45Å; F102-F105 WeakPolarHBondContact O-CB 3.36Å; F102-F105 PolarHBondContact O-N 2.92Å; F105-L108 PolarHBondContact O-N 3.37Å; F105-Y109 WeakPolarHBondContact O-CB 3.1Å; F105-Y109 PolarHBondContact O-N 3.39Å; F105-F124 HydrophobicContact CB-CE1 4.44Å; F105-F124 AromaticContact CD2-CD1 3.93Å; F105-F124 HydrophobicContact CD2-CD1 3.93Å; F105-F124 AromaticContact CD2-CE1 3.18Å; F105-F124 HydrophobicContact CD2-CE1 3.18Å; F105-F124 AromaticContact CD2-CZ 3.62Å; F105-F124 HydrophobicContact CD2-CZ 3.62Å; F105-F124 AromaticContact CE2-CD1 3.7Å; F105-F124 HydrophobicContact CE2-CD1 3.7Å; F105-F124 AromaticContact CE2-CE1 3.46Å; F105-F124 HydrophobicContact CE2-CE1 3.46Å; F105-F124 VanDerWaalsContact CE2-CE1 3.46Å; F105-F124 HydrophobicContact CE2-CZ 4.18Å; F105-F124 AromaticContact CG-CE1 3.92Å; F105-F124 HydrophobicContact CG-CE1 3.92Å; F105-F124 HydrophobicContact CG-CZ 4.43Å; F105-F124 HydrophobicContact CZ-CD1 4.44Å; F105-F124 HydrophobicContact CZ-CE1 4.38Å; F105-V125 HydrophobicContact CZ-CB 4.48Å; F105-V125 HydrophobicContact CZ-CG2 3.93Å; F105-H132 AromaticContact CD2-NE2 3.45Å; F105-H132 WeakPolarHBondContact CD2-NE2 3.42Å; F105-H132 AromaticContact CG-NE2 3.4Å; F105-H132 WeakPolarHBondContact CG-NE2 3.43Å; F105-I140 HydrophobicContact CE1-CG1 4Å; F105-F143 HydrophobicContact CE1-CD2 4.41Å
106	A	90.6	Very high	89.6	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-43.3	179.8	0	0	0	0	0	112.5	F102 P103 I104 Y109 V110 F143 F160	F102-A106 WeakPolarHBondContact O-CB 3.32Å; F102-A106 PolarHBondContact O-N 3.05Å; P103-A106 PolarHBondContact O-N 3.1Å; I104-A106 VanDerWaalsContact C-N 3.3Å; I104-A106 PolarHBondContact O-N 2.99Å; A106-Y109 PolarHBondContact O-N 2.89Å; A106-V110 WeakPolarHBondContact O-CB 3.11Å; A106-V110 VanDerWaalsContact O-CG2 3.26Å; A106-V110 WeakPolarHBondContact O-CG2 2.92Å; A106-V110 PolarHBondContact O-N 3.23Å; A106-F143 HydrophobicContact CB-CE2 3.81Å; A106-F143 HydrophobicContact CB-CZ 3.65Å; A106-F160 HydrophobicContact CB-CD1 3.99Å; A106-F160 HydrophobicContact CB-CD2 4.04Å; A106-F160 HydrophobicContact CB-CE1 3.66Å; A106-F160 HydrophobicContact CB-CE2 3.65Å; A106-F160 HydrophobicContact CB-CG 4.19Å; A106-F160 HydrophobicContact CB-CZ 3.45Å; A106-F160 VanDerWaalsContact CB-CZ 3.45Å
107	Y	88.9	Confident	89.3	Confident	5 Å²	5	19.2 Å²	19.2	2%	0.02	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-46.4	176.1	-74.3	-63.2	0	0	0	111.8	P103 I104 Y109 V110 E111 F160 T166 H195 V196	P103-Y107 HydrophobicContact CB-CD2 4.42Å; P103-Y107 HydrophobicContact CB-CE2 4.15Å; P103-Y107 WeakPolarHBondContact O-CD2 3.35Å; P103-Y107 PolarHBondContact O-N 2.87Å; I104-Y107 PolarHBondContact O-N 2.9Å; Y107-Y109 VanDerWaalsContact C-N 3.33Å; Y107-Y109 PolarHBondContact O-N 3Å; Y107-V110 PolarHBondContact O-N 3.46Å; Y107-E111 WeakPolarHBondContact O-CB 3.41Å; Y107-E111 PolarHBondContact O-N 2.94Å; Y107-F160 HydrophobicContact CD1-CB 3.82Å; Y107-F160 AromaticContact CD1-CD1 3.83Å; Y107-F160 HydrophobicContact CD1-CD1 3.83Å; Y107-F160 HydrophobicContact CD1-CG 4.3Å; Y107-F160 WeakPolarHBondContact CD1-O 3.09Å; Y107-F160 HydrophobicContact CD2-CD1 4.25Å; Y107-F160 HydrophobicContact CE1-CB 3.8Å; Y107-F160 AromaticContact CE1-CD1 3.49Å; Y107-F160 HydrophobicContact CE1-CD1 3.49Å; Y107-F160 VanDerWaalsContact CE1-CD1 3.49Å; Y107-F160 HydrophobicContact CE1-CG 4.14Å; Y107-F160 WeakPolarHBondContact CE1-O 3.47Å; Y107-F160 AromaticContact CE2-CD1 3.91Å; Y107-F160 HydrophobicContact CE2-CD1 3.91Å; Y107-F160 HydrophobicContact CE2-CE1 4.26Å; Y107-F160 HydrophobicContact CG-CD1 4.16Å; Y107-F160 AromaticContact CZ-CD1 3.5Å; Y107-F160 VanDerWaalsContact CZ-CD1 3.5Å; Y107-T166 PolarHBondContact OH-OG1 3.2Å; Y107-H195 HydrophobicContact CD1-CB 3.73Å; Y107-H195 AromaticContact CD1-CG 3.72Å; Y107-H195 AromaticContact CD1-ND1 3.72Å; Y107-H195 HydrophobicContact CD2-CB 3.93Å; Y107-H195 HydrophobicContact CE1-CB 3.48Å; Y107-H195 VanDerWaalsContact CE1-CB 3.48Å; Y107-H195 AromaticContact CE1-CG 3.74Å; Y107-H195 AromaticContact CE1-ND1 3.6Å; Y107-H195 HydrophobicContact CE2-CB 3.75Å; Y107-H195 HydrophobicContact CG-CB 3.99Å; Y107-H195 PolarHBondContact OH-O 2.85Å; Y107-V196 HydrophobicContact CD2-CG2 4.42Å; Y107-V196 HydrophobicContact CE2-CG2 3.89Å
108	L	90	Very high	89.1	Confident	4 Å²	4	22 Å²	22	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-44.1	176.3	-72.9	174.2	0	0	0	111.6	C74 Y78 I104 F105 V110 E111 F112 F124 L191	C74-L108 HydrophobicContact CB-CD2 4.04Å; Y78-L108 HydrophobicContact CD2-CD1 3.95Å; Y78-L108 HydrophobicContact CG-CD1 4.16Å; I104-L108 HydrophobicContact CG2-CD1 3.97Å; I104-L108 HydrophobicContact CG2-CG 4.35Å; I104-L108 WeakPolarHBondContact O-CB 3.39Å; I104-L108 WeakPolarHBondContact O-CG 3.32Å; I104-L108 PolarHBondContact O-N 3.31Å; F105-L108 PolarHBondContact O-N 3.37Å; L108-V110 PolarHBondContact O-N 3.33Å; L108-E111 PolarHBondContact O-N 3.31Å; L108-F112 HydrophobicContact CB-CE2 4.23Å; L108-F112 HydrophobicContact CB-CZ 4.27Å; L108-F112 VanDerWaalsContact O-CD2 3.24Å; L108-F112 WeakPolarHBondContact O-CD2 3.32Å; L108-F112 WeakPolarHBondContact O-CG 3.49Å; L108-F112 PolarHBondContact O-N 2.83Å; L108-F124 HydrophobicContact CB-CE1 4.12Å; L108-F124 HydrophobicContact CB-CZ 4.19Å; L108-F124 HydrophobicContact CD1-CE2 4.45Å; L108-F124 HydrophobicContact CD1-CZ 3.89Å; L108-L191 HydrophobicContact CD2-CD2 4.01Å; L108-L191 HydrophobicContact CG-CD2 4.04Å
109	Y	90.4	Very high	88.9	Confident	5 Å²	5	23.6 Å²	23.6	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-49.4	177.2	-175.5	-91.1	0	0	0	111.9	F105 A106 Y107 E111 F112 I113 A121 V125 F143 I146	F105-Y109 WeakPolarHBondContact O-CB 3.1Å; F105-Y109 PolarHBondContact O-N 3.39Å; A106-Y109 PolarHBondContact O-N 2.89Å; Y107-Y109 VanDerWaalsContact C-N 3.33Å; Y107-Y109 PolarHBondContact O-N 3Å; Y109-E111 VanDerWaalsContact C-N 3.31Å; Y109-E111 PolarHBondContact O-N 3.47Å; Y109-F112 PolarHBondContact O-N 3.13Å; Y109-I113 HydrophobicContact CD1-CG1 4.08Å; Y109-I113 HydrophobicContact CE1-CD1 4.23Å; Y109-I113 HydrophobicContact CE1-CG1 3.54Å; Y109-I113 WeakPolarHBondContact O-CG1 3.19Å; Y109-I113 PolarHBondContact O-N 3.33Å; Y109-A121 HydrophobicContact CD2-CB 3.98Å; Y109-A121 HydrophobicContact CE2-CB 3.6Å; Y109-A121 WeakPolarHBondContact CE2-O 3.36Å; Y109-V125 HydrophobicContact CD2-CG2 3.32Å; Y109-V125 HydrophobicContact CE2-CB 4.48Å; Y109-V125 HydrophobicContact CE2-CG2 3.17Å; Y109-V125 HydrophobicContact CG-CG2 4.42Å; Y109-F143 HydrophobicContact CD1-CB 3.97Å; Y109-F143 AromaticContact CD1-CD1 3.2Å; Y109-F143 HydrophobicContact CD1-CD1 3.2Å; Y109-F143 AromaticContact CD1-CE1 3.86Å; Y109-F143 HydrophobicContact CD1-CE1 3.86Å; Y109-F143 AromaticContact CD1-CG 3.83Å; Y109-F143 HydrophobicContact CD1-CG 3.83Å; Y109-F143 HydrophobicContact CE1-CB 3.82Å; Y109-F143 AromaticContact CE1-CD1 3.55Å; Y109-F143 HydrophobicContact CE1-CD1 3.55Å; Y109-F143 HydrophobicContact CE1-CG 4.09Å; Y109-F143 HydrophobicContact CE2-CB 4.46Å; Y109-F143 HydrophobicContact CG-CB 4.35Å; Y109-F143 HydrophobicContact CG-CD1 4.04Å; Y109-F143 HydrophobicContact CG-CG 4.3Å; Y109-F143 VanDerWaalsContact CZ-O 3.28Å; Y109-F143 PolarHBondContact OH-O 3.41Å; Y109-I146 PolarHBondContact OH-O 3.11Å
110	V	87.8	Confident	88.9	Confident	5 Å²	5	25 Å²	25	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-44.4	178.4	160.2	0	0	0	0	110.9	A106 Y107 L108 F112 I113 T114 F143 L152 F160 M161	A106-V110 WeakPolarHBondContact O-CB 3.11Å; A106-V110 VanDerWaalsContact O-CG2 3.26Å; A106-V110 WeakPolarHBondContact O-CG2 2.92Å; A106-V110 PolarHBondContact O-N 3.23Å; Y107-V110 PolarHBondContact O-N 3.46Å; L108-V110 PolarHBondContact O-N 3.33Å; V110-F112 PolarHBondContact O-N 2.86Å; V110-I113 PolarHBondContact O-N 2.87Å; V110-T114 HydrophobicContact CG1-CG2 4.38Å; V110-T114 VanDerWaalsContact O-CG2 3.23Å; V110-T114 WeakPolarHBondContact O-CG2 3.37Å; V110-T114 PolarHBondContact O-N 3.44Å; V110-T114 PolarHBondContact O-OG1 3.49Å; V110-F143 HydrophobicContact CG2-CE1 3.9Å; V110-L152 HydrophobicContact CB-CD2 4.24Å; V110-L152 HydrophobicContact CG1-CD2 3.84Å; V110-L152 HydrophobicContact CG2-CD1 4Å; V110-L152 HydrophobicContact CG2-CD2 4.01Å; V110-F160 HydrophobicContact CB-CB 4.36Å; V110-F160 HydrophobicContact CG1-CB 4.37Å; V110-F160 HydrophobicContact CG2-CB 3.93Å; V110-M161 HydrophobicContact CG1-CG 4.05Å; V110-M161 HydrophobicContact CG1-SD 3.29Å; V110-M161 WeakPolarHBondContact CG1-SD 3.41Å
111	E	85.3	Confident	88.9	Confident	19 Å²	19	24.9 Å²	24.9	9%	0.089	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-45	175.9	-178.6	152.6	-142.3	0	0	112.3	S66 F68 Y107 L108 Y109 I113 T114 L115	S66-E111 VanDerWaalsContact CB-OE1 3.26Å; S66-E111 WeakPolarHBondContact CB-OE1 3.27Å; F68-E111 WeakPolarHBondContact CD2-OE1 3.36Å; F68-E111 WeakPolarHBondContact CE1-OE2 3.45Å; F68-E111 WeakPolarHBondContact CE2-OE1 3.39Å; F68-E111 WeakPolarHBondContact CE2-OE2 3.33Å; F68-E111 WeakPolarHBondContact CG-OE1 3.33Å; F68-E111 WeakPolarHBondContact CZ-OE2 3.46Å; Y107-E111 WeakPolarHBondContact O-CB 3.41Å; Y107-E111 PolarHBondContact O-N 2.94Å; L108-E111 PolarHBondContact O-N 3.31Å; Y109-E111 VanDerWaalsContact C-N 3.31Å; Y109-E111 PolarHBondContact O-N 3.47Å; E111-I113 VanDerWaalsContact C-N 3.35Å; E111-I113 PolarHBondContact O-N 3.23Å; E111-T114 WeakPolarHBondContact CA-OG1 3.35Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-T114 PolarHBondContact O-OG1 3.46Å; E111-L115 HydrophobicContact CG-CD1 3.68Å; E111-L115 WeakPolarHBondContact O-CB 3.14Å; E111-L115 WeakPolarHBondContact O-CG 3.02Å; E111-L115 PolarHBondContact O-N 3.38Å
112	F	89	Confident	88.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-41.6	175.9	-59.6	-28	0	0	0	112.7	F71 V75 L108 Y109 V110 G116 K117 I120 A121 F124	F71-F112 HydrophobicContact CB-CE1 4.46Å; F71-F112 AromaticContact CD1-CD1 3.64Å; F71-F112 HydrophobicContact CD1-CD1 3.64Å; F71-F112 AromaticContact CD1-CE1 3.73Å; F71-F112 HydrophobicContact CD1-CE1 3.73Å; F71-F112 HydrophobicContact CE1-CD1 4.13Å; V75-F112 HydrophobicContact CG2-CE2 4.34Å; V75-F112 HydrophobicContact CG2-CZ 3.97Å; L108-F112 HydrophobicContact CB-CE2 4.23Å; L108-F112 HydrophobicContact CB-CZ 4.27Å; L108-F112 VanDerWaalsContact O-CD2 3.24Å; L108-F112 WeakPolarHBondContact O-CD2 3.32Å; L108-F112 WeakPolarHBondContact O-CG 3.49Å; L108-F112 PolarHBondContact O-N 2.83Å; Y109-F112 PolarHBondContact O-N 3.13Å; V110-F112 PolarHBondContact O-N 2.86Å; F112-G116 PolarHBondContact O-N 3.08Å; F112-K117 WeakPolarHBondContact O-CA 3.36Å; F112-K117 PolarHBondContact O-N 3.41Å; F112-I120 HydrophobicContact CD2-CG2 4.28Å; F112-I120 HydrophobicContact CE2-CG2 4.24Å; F112-I120 HydrophobicContact CG-CG2 4.5Å; F112-I120 HydrophobicContact CZ-CG2 4.44Å; F112-A121 HydrophobicContact CB-CB 3.8Å; F112-A121 HydrophobicContact CD2-CB 4.37Å; F112-F124 HydrophobicContact CD2-CB 4.48Å; F112-F124 HydrophobicContact CD2-CD1 4.46Å; F112-F124 HydrophobicContact CD2-CG 4.5Å; F112-F124 HydrophobicContact CE2-CB 4.16Å; F112-F124 HydrophobicContact CE2-CD1 4.03Å; F112-F124 HydrophobicContact CE2-CD2 4.2Å; F112-F124 HydrophobicContact CE2-CE1 4.48Å; F112-F124 AromaticContact CE2-CG 3.88Å; F112-F124 HydrophobicContact CE2-CG 3.88Å
113	I	88.6	Confident	88.9	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-43.8	177.8	-65.5	-60.4	0	0	0	111.4	Y109 V110 E111 L115 G116 A121 L152	Y109-I113 HydrophobicContact CD1-CG1 4.08Å; Y109-I113 HydrophobicContact CE1-CD1 4.23Å; Y109-I113 HydrophobicContact CE1-CG1 3.54Å; Y109-I113 WeakPolarHBondContact O-CG1 3.19Å; Y109-I113 PolarHBondContact O-N 3.33Å; V110-I113 PolarHBondContact O-N 2.87Å; E111-I113 VanDerWaalsContact C-N 3.35Å; E111-I113 PolarHBondContact O-N 3.23Å; I113-L115 VanDerWaalsContact C-N 3.28Å; I113-L115 PolarHBondContact O-N 3.44Å; I113-G116 PolarHBondContact O-N 2.87Å; I113-A121 HydrophobicContact CD1-CB 3.72Å; I113-A121 HydrophobicContact CG1-CB 4.19Å; I113-L152 HydrophobicContact CG2-CB 4.41Å; I113-L152 HydrophobicContact CG2-CD2 4.33Å
114	T	84.9	Confident	89	Confident	38 Å²	38	34.6 Å²	34.6	23%	0.233	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-33.1	178.7	58	0	0	0	0	113.4	V110 E111 G116 L152 M161	V110-T114 HydrophobicContact CG1-CG2 4.38Å; V110-T114 VanDerWaalsContact O-CG2 3.23Å; V110-T114 WeakPolarHBondContact O-CG2 3.37Å; V110-T114 PolarHBondContact O-N 3.44Å; V110-T114 PolarHBondContact O-OG1 3.49Å; E111-T114 WeakPolarHBondContact CA-OG1 3.35Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-T114 PolarHBondContact O-OG1 3.46Å; T114-G116 PolarHBondContact O-N 3.35Å; T114-L152 HydrophobicContact CG2-CD2 4.19Å; T114-M161 HydrophobicContact CG2-CE 3.17Å; T114-M161 HydrophobicContact CG2-SD 3.26Å; T114-M161 WeakPolarHBondContact CG2-SD 3.41Å
115	L	86.3	Confident	89.1	Confident	52 Å²	52	35.4 Å²	35.4	27%	0.272	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	6	176.1	-65.3	169.5	0	0	0	112.9	F71 E111 I113 K117	F71-L115 HydrophobicContact CE1-CB 4.21Å; F71-L115 HydrophobicContact CE1-CD1 3.54Å; F71-L115 HydrophobicContact CZ-CB 4.05Å; F71-L115 HydrophobicContact CZ-CD1 3.75Å; F71-L115 HydrophobicContact CZ-CG 4.49Å; E111-L115 HydrophobicContact CG-CD1 3.68Å; E111-L115 WeakPolarHBondContact O-CB 3.14Å; E111-L115 WeakPolarHBondContact O-CG 3.02Å; E111-L115 PolarHBondContact O-N 3.38Å; I113-L115 VanDerWaalsContact C-N 3.28Å; I113-L115 PolarHBondContact O-N 3.44Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 3.33Å
116	G	84.3	Confident	89.1	Confident	60 Å²	60	42.3 Å²	42.3	62%	0.619	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	20.8	175.2	0	0	0	0	0	114.6	F112 I113 T114 S118	F112-G116 PolarHBondContact O-N 3.08Å; I113-G116 PolarHBondContact O-N 2.87Å; T114-G116 PolarHBondContact O-N 3.35Å; G116-S118 PolarHBondContact O-N 2.76Å
117	K	86.7	Confident	89.2	Confident	97 Å²	97	46.7 Å²	46.7	42%	0.422	25%	0.252	S	S	.	.			trans	-100	56.8	179.7	-61.3	-60.8	-175.6	-179.2	0	111.9	F71 F112 L115 S119 I120 A121	F71-K117 HydrophobicContact CD2-CG 4.44Å; F71-K117 HydrophobicContact CE1-CG 4.27Å; F71-K117 HydrophobicContact CE2-CG 4Å; F71-K117 HydrophobicContact CZ-CG 3.9Å; F112-K117 WeakPolarHBondContact O-CA 3.36Å; F112-K117 PolarHBondContact O-N 3.41Å; L115-K117 VanDerWaalsContact C-N 3.34Å; L115-K117 PolarHBondContact O-N 3.33Å; K117-S119 VanDerWaalsContact C-N 3.28Å; K117-S119 PolarHBondContact O-N 2.96Å; K117-I120 HydrophobicContact CB-CB 4.43Å; K117-I120 HydrophobicContact CB-CD1 4.25Å; K117-I120 HydrophobicContact CG-CD1 4.48Å; K117-I120 PolarHBondContact O-N 3.46Å; K117-A121 PolarHBondContact O-N 3.2Å; K117-A121 VanDerWaalsContact O-N 3.14Å
118	S	86.7	Confident	89.4	Confident	60 Å²	60	46.5 Å²	46.5	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-35.1	-178.8	55.5	0	0	0	0	113.9	G116 I120 A121 E122	G116-S118 PolarHBondContact O-N 2.76Å; S118-I120 PolarHBondContact O-N 3.32Å; S118-A121 WeakPolarHBondContact O-CB 3.29Å; S118-A121 PolarHBondContact O-N 2.99Å; S118-E122 WeakPolarHBondContact O-CB 3.46Å; S118-E122 PolarHBondContact O-N 3.47Å
119	S	89.6	Confident	89.4	Confident	88 Å²	88	46.4 Å²	46.4	62%	0.615	25%	0.251	S	S	*	.	H	α-helix	trans	-62.5	-41.9	177.8	-171.6	0	0	0	0	112.9	K117 E123	K117-S119 VanDerWaalsContact C-N 3.28Å; K117-S119 PolarHBondContact O-N 2.96Å; S119-E123 PolarHBondContact O-N 3.16Å
120	I	90.1	Very high	89.4	Confident	42 Å²	42	50.7 Å²	50.7	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-40.8	178	-61.8	176.1	0	0	0	109.3	F71 F112 K117 S118 E122 E123 F124	F71-I120 HydrophobicContact CB-CD1 3.99Å; F71-I120 HydrophobicContact CG-CD1 4.31Å; F112-I120 HydrophobicContact CD2-CG2 4.28Å; F112-I120 HydrophobicContact CE2-CG2 4.24Å; F112-I120 HydrophobicContact CG-CG2 4.5Å; F112-I120 HydrophobicContact CZ-CG2 4.44Å; K117-I120 HydrophobicContact CB-CB 4.43Å; K117-I120 HydrophobicContact CB-CD1 4.25Å; K117-I120 HydrophobicContact CG-CD1 4.48Å; K117-I120 PolarHBondContact O-N 3.46Å; S118-I120 PolarHBondContact O-N 3.32Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 PolarHBondContact O-N 2.93Å; I120-E123 PolarHBondContact O-N 3.44Å; I120-F124 WeakPolarHBondContact O-CB 3.36Å; I120-F124 PolarHBondContact O-N 2.83Å
121	A	89.9	Confident	89.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-42.9	176.9	0	0	0	0	0	112.1	Y109 F112 I113 K117 S118 F124 V125	Y109-A121 HydrophobicContact CD2-CB 3.98Å; Y109-A121 HydrophobicContact CE2-CB 3.6Å; Y109-A121 WeakPolarHBondContact CE2-O 3.36Å; F112-A121 HydrophobicContact CB-CB 3.8Å; F112-A121 HydrophobicContact CD2-CB 4.37Å; I113-A121 HydrophobicContact CD1-CB 3.72Å; I113-A121 HydrophobicContact CG1-CB 4.19Å; K117-A121 PolarHBondContact O-N 3.2Å; K117-A121 VanDerWaalsContact O-N 3.14Å; S118-A121 WeakPolarHBondContact O-CB 3.29Å; S118-A121 PolarHBondContact O-N 2.99Å; A121-F124 PolarHBondContact O-N 3.02Å; A121-V125 WeakPolarHBondContact O-CG2 3.35Å; A121-V125 PolarHBondContact O-N 2.99Å
122	E	91.4	Very high	89.8	Confident	107 Å²	107	55.5 Å²	55.5	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-43.9	177.4	-170.8	-176.6	168.9	0	0	112.1	S118 I120 F124 V125 K126	S118-E122 WeakPolarHBondContact O-CB 3.46Å; S118-E122 PolarHBondContact O-N 3.47Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 PolarHBondContact O-N 2.93Å; E122-F124 VanDerWaalsContact C-N 3.34Å; E122-V125 PolarHBondContact O-N 2.91Å; E122-K126 HydrophobicContact CG-CD 4.37Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 3.42Å; E122-K126 VanDerWaalsContact OE1-CE 3.25Å; E122-K126 WeakPolarHBondContact OE1-CE 3.44Å; E122-K126 IonicContact OE1-NZ 2.7Å; E122-K126 PolarHBondContact OE1-NZ 3.23Å
123	E	91.8	Very high	89.7	Confident	133 Å²	133	58.6 Å²	58.6	62%	0.621	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-41	174.9	-172.3	175.8	-179.5	0	0	111.6	S119 I120 K126 K127	S119-E123 PolarHBondContact O-N 3.16Å; I120-E123 PolarHBondContact O-N 3.44Å; E123-K126 PolarHBondContact O-N 3.48Å; E123-K127 WeakPolarHBondContact O-CB 3.48Å; E123-K127 PolarHBondContact O-N 2.85Å
124	F	93	Very high	89.6	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.022	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-46	177.4	-175.2	-109.4	0	0	0	112	V75 Y78 F105 L108 F112 I120 A121 E122 K127 Y128	V75-F124 HydrophobicContact CG1-CD2 4.39Å; V75-F124 HydrophobicContact CG2-CD2 4.1Å; Y78-F124 AromaticContact CD1-CE2 3.79Å; Y78-F124 HydrophobicContact CD1-CE2 3.79Å; Y78-F124 AromaticContact CD1-CZ 3.94Å; Y78-F124 HydrophobicContact CD1-CZ 3.94Å; Y78-F124 HydrophobicContact CD2-CZ 4.5Å; Y78-F124 HydrophobicContact CE1-CE2 4.31Å; Y78-F124 HydrophobicContact CE1-CZ 4.16Å; Y78-F124 HydrophobicContact CG-CE2 4.15Å; Y78-F124 HydrophobicContact CG-CZ 4.12Å; F105-F124 HydrophobicContact CB-CE1 4.44Å; F105-F124 AromaticContact CD2-CD1 3.93Å; F105-F124 HydrophobicContact CD2-CD1 3.93Å; F105-F124 AromaticContact CD2-CE1 3.18Å; F105-F124 HydrophobicContact CD2-CE1 3.18Å; F105-F124 AromaticContact CD2-CZ 3.62Å; F105-F124 HydrophobicContact CD2-CZ 3.62Å; F105-F124 AromaticContact CE2-CD1 3.7Å; F105-F124 HydrophobicContact CE2-CD1 3.7Å; F105-F124 AromaticContact CE2-CE1 3.46Å; F105-F124 HydrophobicContact CE2-CE1 3.46Å; F105-F124 VanDerWaalsContact CE2-CE1 3.46Å; F105-F124 HydrophobicContact CE2-CZ 4.18Å; F105-F124 AromaticContact CG-CE1 3.92Å; F105-F124 HydrophobicContact CG-CE1 3.92Å; F105-F124 HydrophobicContact CG-CZ 4.43Å; F105-F124 HydrophobicContact CZ-CD1 4.44Å; F105-F124 HydrophobicContact CZ-CE1 4.38Å; L108-F124 HydrophobicContact CB-CE1 4.12Å; L108-F124 HydrophobicContact CB-CZ 4.19Å; L108-F124 HydrophobicContact CD1-CE2 4.45Å; L108-F124 HydrophobicContact CD1-CZ 3.89Å; F112-F124 HydrophobicContact CD2-CB 4.48Å; F112-F124 HydrophobicContact CD2-CD1 4.46Å; F112-F124 HydrophobicContact CD2-CG 4.5Å; F112-F124 HydrophobicContact CE2-CB 4.16Å; F112-F124 HydrophobicContact CE2-CD1 4.03Å; F112-F124 HydrophobicContact CE2-CD2 4.2Å; F112-F124 HydrophobicContact CE2-CE1 4.48Å; F112-F124 AromaticContact CE2-CG 3.88Å; F112-F124 HydrophobicContact CE2-CG 3.88Å; I120-F124 WeakPolarHBondContact O-CB 3.36Å; I120-F124 PolarHBondContact O-N 2.83Å; A121-F124 PolarHBondContact O-N 3.02Å; E122-F124 VanDerWaalsContact C-N 3.34Å; F124-K127 PolarHBondContact O-N 3.4Å; F124-Y128 AromaticContact CD2-CD2 3.43Å; F124-Y128 HydrophobicContact CD2-CD2 3.43Å; F124-Y128 VanDerWaalsContact CD2-CD2 3.43Å; F124-Y128 AromaticContact CD2-CE2 3.7Å; F124-Y128 HydrophobicContact CD2-CE2 3.7Å; F124-Y128 AromaticContact CE2-CD2 3.47Å; F124-Y128 HydrophobicContact CE2-CD2 3.47Å; F124-Y128 VanDerWaalsContact CE2-CD2 3.47Å; F124-Y128 AromaticContact CE2-CE2 3.76Å; F124-Y128 HydrophobicContact CE2-CE2 3.76Å; F124-Y128 HydrophobicContact CE2-CG 4.37Å; F124-Y128 HydrophobicContact CG-CD2 4.24Å; F124-Y128 HydrophobicContact CZ-CD2 4.32Å; F124-Y128 PolarHBondContact O-N 3.34Å
125	V	93	Very high	89.6	Confident	17 Å²	17	62.9 Å²	62.9	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-42.2	174.6	172.5	0	0	0	0	111.4	F105 Y109 A121 E122 G129 I140 A144	F105-V125 HydrophobicContact CZ-CB 4.48Å; F105-V125 HydrophobicContact CZ-CG2 3.93Å; Y109-V125 HydrophobicContact CD2-CG2 3.32Å; Y109-V125 HydrophobicContact CE2-CB 4.48Å; Y109-V125 HydrophobicContact CE2-CG2 3.17Å; Y109-V125 HydrophobicContact CG-CG2 4.42Å; A121-V125 WeakPolarHBondContact O-CG2 3.35Å; A121-V125 PolarHBondContact O-N 2.99Å; E122-V125 PolarHBondContact O-N 2.91Å; V125-G129 WeakPolarHBondContact O-CA 3.41Å; V125-G129 PolarHBondContact O-N 3.3Å; V125-I140 HydrophobicContact CG1-CG2 4.01Å; V125-A144 HydrophobicContact CG1-CB 4.12Å
126	K	92.2	Very high	89.8	Confident	146 Å²	146	61.3 Å²	61.3	64%	0.635	34%	0.338	S	S	*	.	H	α-helix	trans	-65	-39.6	178.2	-74.5	174.6	-175.3	169.9	0	112.5	E122 E123	E122-K126 HydrophobicContact CG-CD 4.37Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 3.42Å; E122-K126 VanDerWaalsContact OE1-CE 3.25Å; E122-K126 WeakPolarHBondContact OE1-CE 3.44Å; E122-K126 IonicContact OE1-NZ 2.7Å; E122-K126 PolarHBondContact OE1-NZ 3.23Å; E123-K126 PolarHBondContact O-N 3.48Å
127	K	93.2	Very high	90	Very high	91 Å²	91	60.6 Å²	60.6	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-74.9	-44.8	-177.8	-171.3	177.3	177	-161.3	0	112.5	E79 E123 F124 Q131	E79-K127 VanDerWaalsContact CD-NZ 3.27Å; E79-K127 IonicContact OE1-NZ 2.81Å; E79-K127 PolarHBondContact OE1-NZ 2.81Å; E79-K127 IonicContact OE2-NZ 3.66Å; E79-K127 PolarHBondContact OE2-NZ 3.45Å; E123-K127 WeakPolarHBondContact O-CB 3.48Å; E123-K127 PolarHBondContact O-N 2.85Å; F124-K127 PolarHBondContact O-N 3.4Å; K127-Q131 PolarHBondContact O-NE2 3.2Å; K127-Q131 VanDerWaalsContact O-NE2 3.08Å
128	Y	93.2	Very high	90.1	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-110.7	-17.6	-170.8	-58.8	-72.8	0	0	0	114.7	V75 Y78 E79 Q82 F124 S130 Q131 H132	V75-Y128 HydrophobicContact CG1-CE2 3.93Å; Y78-Y128 HydrophobicContact CD1-CD1 4.07Å; Y78-Y128 HydrophobicContact CD1-CD2 4.17Å; Y78-Y128 HydrophobicContact CD1-CE1 4.2Å; Y78-Y128 HydrophobicContact CD1-CE2 4.28Å; Y78-Y128 HydrophobicContact CD1-CG 4.05Å; Y78-Y128 AromaticContact CE1-CD1 3.8Å; Y78-Y128 HydrophobicContact CE1-CD1 3.8Å; Y78-Y128 HydrophobicContact CE1-CD2 4.24Å; Y78-Y128 HydrophobicContact CE1-CE1 4.37Å; Y78-Y128 AromaticContact CE1-CG 3.73Å; Y78-Y128 HydrophobicContact CE1-CG 3.73Å; E79-Y128 HydrophobicContact CB-CE1 4.5Å; E79-Y128 WeakPolarHBondContact CB-OH 3.22Å; E79-Y128 PolarHBondContact OE2-OH 2.92Å; Q82-Y128 VanDerWaalsContact OE1-CD1 3.26Å; F124-Y128 AromaticContact CD2-CD2 3.43Å; F124-Y128 HydrophobicContact CD2-CD2 3.43Å; F124-Y128 VanDerWaalsContact CD2-CD2 3.43Å; F124-Y128 AromaticContact CD2-CE2 3.7Å; F124-Y128 HydrophobicContact CD2-CE2 3.7Å; F124-Y128 AromaticContact CE2-CD2 3.47Å; F124-Y128 HydrophobicContact CE2-CD2 3.47Å; F124-Y128 VanDerWaalsContact CE2-CD2 3.47Å; F124-Y128 AromaticContact CE2-CE2 3.76Å; F124-Y128 HydrophobicContact CE2-CE2 3.76Å; F124-Y128 HydrophobicContact CE2-CG 4.37Å; F124-Y128 HydrophobicContact CG-CD2 4.24Å; F124-Y128 HydrophobicContact CZ-CD2 4.32Å; F124-Y128 PolarHBondContact O-N 3.34Å; Y128-S130 VanDerWaalsContact C-N 3.35Å; Y128-S130 PolarHBondContact O-N 2.81Å; Y128-Q131 WeakPolarHBondContact O-CB 3.4Å; Y128-Q131 PolarHBondContact O-N 3.4Å; Y128-Q131 VanDerWaalsContact O-N 3.09Å; Y128-H132 PolarHBondContact O-CD2 3.4Å; Y128-H132 VanDerWaalsContact O-CD2 3.29Å
129	G	89.8	Confident	90.2	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.021	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59	-41	-175.3	0	0	0	0	0	113.8	V125 Q131 H132 Q137 I140	V125-G129 WeakPolarHBondContact O-CA 3.41Å; V125-G129 PolarHBondContact O-N 3.3Å; G129-Q131 PolarHBondContact O-N 3.25Å; G129-H132 PolarHBondContact O-N 3.27Å; G129-Q137 PolarHBondContact O-NE2 3.05Å; G129-I140 WeakPolarHBondContact O-CD1 3.09Å
130	S	90.5	Very high	90.2	Very high	94 Å²	94	53.9 Å²	53.9	66%	0.657	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-72	-14.2	179.6	56.8	0	0	0	0	114.4	Y128 H132	Y128-S130 VanDerWaalsContact C-N 3.35Å; Y128-S130 PolarHBondContact O-N 2.81Å; S130-H132 VanDerWaalsContact C-N 3.34Å
131	Q	91.2	Very high	90.2	Very high	107 Å²	107	58.7 Å²	58.7	50%	0.5	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-82.2	-15.6	-178.1	-55.8	177.6	11.8	0	0	112.6	K127 Y128 G129	K127-Q131 PolarHBondContact O-NE2 3.2Å; K127-Q131 VanDerWaalsContact O-NE2 3.08Å; Y128-Q131 WeakPolarHBondContact O-CB 3.4Å; Y128-Q131 PolarHBondContact O-N 3.4Å; Y128-Q131 VanDerWaalsContact O-N 3.09Å; G129-Q131 PolarHBondContact O-N 3.25Å
132	H	90.5	Very high	90	Very high	18 Å²	18	61.6 Å²	61.6	8%	0.083	30%	0.301	C	S	.	.	S	Bend	trans	-79	156.1	179	-70.6	-77.9	0	0	0	112.6	Y78 F105 Y128 G129 S130 Q137 I140	Y78-H132 PolarHBondContact OH-CE1 3Å; Y78-H132 PolarHBondContact OH-NE2 3.36Å; Y78-H132 VanDerWaalsContact OH-NE2 3.1Å; F105-H132 AromaticContact CD2-NE2 3.45Å; F105-H132 WeakPolarHBondContact CD2-NE2 3.42Å; F105-H132 AromaticContact CG-NE2 3.4Å; F105-H132 WeakPolarHBondContact CG-NE2 3.43Å; Y128-H132 PolarHBondContact O-CD2 3.4Å; Y128-H132 VanDerWaalsContact O-CD2 3.29Å; G129-H132 PolarHBondContact O-N 3.27Å; S130-H132 VanDerWaalsContact C-N 3.34Å; H132-Q137 PolarHBondContact O-NE2 2.89Å; H132-I140 HydrophobicContact CB-CD1 3.52Å
133	E	86.5	Confident	89.8	Confident	66 Å²	66	56.5 Å²	56.5	31%	0.308	28%	0.277	S	S	.	.			trans	-58.5	152	-179.3	-62.9	178.5	174.8	0	0	112.8	C135 Y136 R215	E133-C135 PolarHBondContact O-N 3.01Å; E133-C135 VanDerWaalsContact O-N 3.08Å; E133-Y136 HydrophobicContact CB-CD2 4.09Å; E133-Y136 PolarHBondContact O-N 3.07Å; E133-R215 IonicContact OE1-CZ 2.65Å; E133-R215 IonicContact OE1-NH1 2.96Å; E133-R215 PolarHBondContact OE1-NH1 3.07Å; E133-R215 IonicContact OE2-NH1 3.88Å; E133-R215 PolarHBondContact OE2-NH1 3.28Å
134	P	87.2	Confident	89.6	Confident	115 Å²	115	52.7 Å²	52.7	75%	0.747	27%	0.268	S	S	*	.	H	α-helix	trans	-52.3	-35.3	-178	-29.1	35.9	0	0	0	114.4	Y136 Q137	P134-Y136 PolarHBondContact O-N 3.29Å; P134-Q137 WeakPolarHBondContact O-CB 3.4Å; P134-Q137 PolarHBondContact O-N 2.95Å
135	C	85.6	Confident	89.4	Confident	19 Å²	19	61.4 Å²	61.4	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-24.7	179.6	60.3	0	0	0	0	113.6	E133 R513 K533	E133-C135 PolarHBondContact O-N 3.01Å; E133-C135 VanDerWaalsContact O-N 3.08Å; C135-R513 PolarHBondContact O-NH1 2.94Å; C135-R513 PolarHBondContact O-NH2 3.25Å; C135-R513 VanDerWaalsContact O-NH2 3.13Å; C135-K533 HydrophobicContact CB-CB 3.95Å; C135-K533 HydrophobicContact CB-CD 3.85Å; C135-K533 HydrophobicContact CB-CG 4.19Å
136	Y	89	Confident	89.1	Confident	19 Å²	19	61.2 Å²	61.2	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-93.5	-14.2	179.5	-62.6	-59.5	0	0	0	113.3	F102 E133 P134 E138 Y139 I140	F102-Y136 HydrophobicContact CB-CD1 4.16Å; F102-Y136 HydrophobicContact CB-CD2 3.92Å; F102-Y136 HydrophobicContact CB-CE1 4.24Å; F102-Y136 HydrophobicContact CB-CE2 4.01Å; F102-Y136 HydrophobicContact CB-CG 3.99Å; F102-Y136 AromaticContact CD1-CD1 3.24Å; F102-Y136 HydrophobicContact CD1-CD1 3.24Å; F102-Y136 AromaticContact CD1-CE1 3.36Å; F102-Y136 HydrophobicContact CD1-CE1 3.36Å; F102-Y136 AromaticContact CD1-CG 3.88Å; F102-Y136 HydrophobicContact CD1-CG 3.88Å; F102-Y136 AromaticContact CD2-CD1 3.86Å; F102-Y136 HydrophobicContact CD2-CD1 3.86Å; F102-Y136 HydrophobicContact CD2-CD2 4.37Å; F102-Y136 AromaticContact CD2-CG 3.69Å; F102-Y136 HydrophobicContact CD2-CG 3.69Å; F102-Y136 AromaticContact CE1-CD1 3.44Å; F102-Y136 HydrophobicContact CE1-CD1 3.44Å; F102-Y136 VanDerWaalsContact CE1-CD1 3.44Å; F102-Y136 AromaticContact CE1-CE1 3.81Å; F102-Y136 HydrophobicContact CE1-CE1 3.81Å; F102-Y136 HydrophobicContact CE1-CG 4.27Å; F102-Y136 HydrophobicContact CE2-CD1 4.04Å; F102-Y136 HydrophobicContact CE2-CG 4.12Å; F102-Y136 AromaticContact CG-CD1 3.45Å; F102-Y136 HydrophobicContact CG-CD1 3.45Å; F102-Y136 VanDerWaalsContact CG-CD1 3.45Å; F102-Y136 HydrophobicContact CG-CD2 4.01Å; F102-Y136 AromaticContact CG-CE1 3.83Å; F102-Y136 HydrophobicContact CG-CE1 3.83Å; F102-Y136 HydrophobicContact CG-CE2 4.35Å; F102-Y136 AromaticContact CG-CG 3.54Å; F102-Y136 HydrophobicContact CG-CG 3.54Å; F102-Y136 AromaticContact CZ-CD1 3.85Å; F102-Y136 HydrophobicContact CZ-CD1 3.85Å; F102-Y136 HydrophobicContact CZ-CG 4.39Å; E133-Y136 HydrophobicContact CB-CD2 4.09Å; E133-Y136 PolarHBondContact O-N 3.07Å; P134-Y136 PolarHBondContact O-N 3.29Å; Y136-E138 PolarHBondContact O-N 3.08Å; Y136-E138 VanDerWaalsContact O-N 3.17Å; Y136-Y139 HydrophobicContact CD1-CD2 4.24Å; Y136-Y139 PolarHBondContact O-N 3.43Å; Y136-I140 WeakPolarHBondContact O-CG1 3.45Å; Y136-I140 PolarHBondContact O-N 2.64Å
137	Q	90.1	Very high	88.8	Confident	44 Å²	44	58 Å²	58	21%	0.206	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-33.9	-176.8	-69.2	-60.2	-36.5	0	0	113	G129 H132 P134 I140 R141	G129-Q137 PolarHBondContact O-NE2 3.05Å; H132-Q137 PolarHBondContact O-NE2 2.89Å; P134-Q137 WeakPolarHBondContact O-CB 3.4Å; P134-Q137 PolarHBondContact O-N 2.95Å; Q137-I140 PolarHBondContact O-N 3.1Å; Q137-R141 WeakPolarHBondContact O-CG 3.38Å; Q137-R141 PolarHBondContact O-N 3.08Å
138	E	87.4	Confident	88.5	Confident	82 Å²	82	56.2 Å²	56.2	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176	-173.8	52.1	-146.3	0	0	112.4	Y136 I140 R141 Q142	Y136-E138 PolarHBondContact O-N 3.08Å; Y136-E138 VanDerWaalsContact O-N 3.17Å; E138-I140 VanDerWaalsContact C-N 3.32Å; E138-I140 PolarHBondContact O-N 3.08Å; E138-R141 PolarHBondContact O-N 2.99Å; E138-R141 IonicContact OE2-NH1 2.75Å; E138-R141 PolarHBondContact OE2-NH1 3.42Å; E138-Q142 WeakPolarHBondContact O-CG 3.37Å; E138-Q142 PolarHBondContact O-N 3.29Å; E138-Q142 VanDerWaalsContact O-N 3.1Å
139	Y	88.3	Confident	88	Confident	14 Å²	14	57.4 Å²	57.4	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-35.6	174.4	-63.6	-52.6	0	0	0	112	F102 Y136 R141 Q142 F143 L157 L218 R513	F102-Y139 HydrophobicContact CE1-CD2 4.14Å; F102-Y139 AromaticContact CZ-CD2 3.8Å; F102-Y139 HydrophobicContact CZ-CD2 3.8Å; F102-Y139 HydrophobicContact CZ-CG 4.1Å; Y136-Y139 HydrophobicContact CD1-CD2 4.24Å; Y136-Y139 PolarHBondContact O-N 3.43Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 2.77Å; Y139-Q142 WeakPolarHBondContact O-CB 3.26Å; Y139-Q142 PolarHBondContact O-N 3.09Å; Y139-F143 WeakPolarHBondContact O-CD2 3.38Å; Y139-F143 PolarHBondContact O-N 3.3Å; Y139-L157 HydrophobicContact CD1-CD2 4.23Å; Y139-L218 HydrophobicContact CD1-CD1 4.45Å; Y139-L218 HydrophobicContact CD2-CD1 4.11Å; Y139-L218 HydrophobicContact CE1-CD1 4.39Å; Y139-L218 HydrophobicContact CE2-CD1 4.01Å; Y139-L218 HydrophobicContact CG-CD1 4.32Å; Y139-R513 WeakPolarHBondContact OH-CD 3.18Å; Y139-R513 PolarHBondContact OH-NE 2.89Å
140	I	90.3	Very high	87.7	Confident	8 Å²	8	62 Å²	62	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-38.6	178	-65.1	170.2	0	0	0	110.8	F102 F105 V125 G129 H132 Y136 Q137 E138 F143 A144	F102-I140 HydrophobicContact CE2-CD1 4.47Å; F102-I140 HydrophobicContact CE2-CG1 4.02Å; F105-I140 HydrophobicContact CE1-CG1 4Å; V125-I140 HydrophobicContact CG1-CG2 4.01Å; G129-I140 WeakPolarHBondContact O-CD1 3.09Å; H132-I140 HydrophobicContact CB-CD1 3.52Å; Y136-I140 WeakPolarHBondContact O-CG1 3.45Å; Y136-I140 PolarHBondContact O-N 2.64Å; Q137-I140 PolarHBondContact O-N 3.1Å; E138-I140 VanDerWaalsContact C-N 3.32Å; E138-I140 PolarHBondContact O-N 3.08Å; I140-F143 PolarHBondContact O-N 2.8Å; I140-A144 PolarHBondContact O-N 3.26Å
141	R	90.6	Very high	87.5	Confident	143 Å²	143	61.6 Å²	61.6	54%	0.54	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-44.2	170.8	-70.5	173.1	-168.9	152	-1.7	111.4	Q137 E138 Y139 F143 A144 Y145	Q137-R141 WeakPolarHBondContact O-CG 3.38Å; Q137-R141 PolarHBondContact O-N 3.08Å; E138-R141 PolarHBondContact O-N 2.99Å; E138-R141 IonicContact OE2-NH1 2.75Å; E138-R141 PolarHBondContact OE2-NH1 3.42Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 2.77Å; R141-F143 PolarHBondContact O-N 2.89Å; R141-A144 WeakPolarHBondContact O-CB 3.29Å; R141-A144 PolarHBondContact O-N 2.87Å; R141-A144 VanDerWaalsContact O-N 3.14Å; R141-Y145 WeakPolarHBondContact O-CD2 3.11Å; R141-Y145 PolarHBondContact O-N 2.86Å
142	Q	86.1	Confident	87.1	Confident	61 Å²	61	56.5 Å²	56.5	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.1	-68.4	175.2	11.5	0	0	111.9	E138 Y139 A144 Y145 I146 L157	E138-Q142 WeakPolarHBondContact O-CG 3.37Å; E138-Q142 PolarHBondContact O-N 3.29Å; E138-Q142 VanDerWaalsContact O-N 3.1Å; Y139-Q142 WeakPolarHBondContact O-CB 3.26Å; Y139-Q142 PolarHBondContact O-N 3.09Å; Q142-A144 VanDerWaalsContact C-N 3.31Å; Q142-A144 PolarHBondContact O-N 3.42Å; Q142-Y145 PolarHBondContact O-N 3.27Å; Q142-Y145 VanDerWaalsContact O-N 3.17Å; Q142-I146 WeakPolarHBondContact O-CG1 3.21Å; Q142-I146 PolarHBondContact O-N 2.81Å; Q142-L157 HydrophobicContact CB-CD1 3.82Å
143	F	87.3	Confident	86.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-45.7	171.7	-76.4	-58.3	0	0	0	110.9	F102 F105 A106 Y109 V110 Y139 I140 R141 Y145 I146 L157 F160	F102-F143 HydrophobicContact CE2-CE2 4.47Å; F102-F143 HydrophobicContact CZ-CE2 4.24Å; F105-F143 HydrophobicContact CE1-CD2 4.41Å; A106-F143 HydrophobicContact CB-CE2 3.81Å; A106-F143 HydrophobicContact CB-CZ 3.65Å; Y109-F143 HydrophobicContact CD1-CB 3.97Å; Y109-F143 AromaticContact CD1-CD1 3.2Å; Y109-F143 HydrophobicContact CD1-CD1 3.2Å; Y109-F143 AromaticContact CD1-CE1 3.86Å; Y109-F143 HydrophobicContact CD1-CE1 3.86Å; Y109-F143 AromaticContact CD1-CG 3.83Å; Y109-F143 HydrophobicContact CD1-CG 3.83Å; Y109-F143 HydrophobicContact CE1-CB 3.82Å; Y109-F143 AromaticContact CE1-CD1 3.55Å; Y109-F143 HydrophobicContact CE1-CD1 3.55Å; Y109-F143 HydrophobicContact CE1-CG 4.09Å; Y109-F143 HydrophobicContact CE2-CB 4.46Å; Y109-F143 HydrophobicContact CG-CB 4.35Å; Y109-F143 HydrophobicContact CG-CD1 4.04Å; Y109-F143 HydrophobicContact CG-CG 4.3Å; Y109-F143 VanDerWaalsContact CZ-O 3.28Å; Y109-F143 PolarHBondContact OH-O 3.41Å; V110-F143 HydrophobicContact CG2-CE1 3.9Å; Y139-F143 WeakPolarHBondContact O-CD2 3.38Å; Y139-F143 PolarHBondContact O-N 3.3Å; I140-F143 PolarHBondContact O-N 2.8Å; R141-F143 PolarHBondContact O-N 2.89Å; F143-Y145 PolarHBondContact O-N 3.31Å; F143-Y145 VanDerWaalsContact O-N 3.12Å; F143-I146 PolarHBondContact O-N 3.24Å; F143-L157 HydrophobicContact CD1-CD1 3.72Å; F143-L157 HydrophobicContact CD2-CD1 4.3Å; F143-L157 HydrophobicContact CE1-CB 3.87Å; F143-L157 HydrophobicContact CE1-CD1 3.67Å; F143-L157 HydrophobicContact CE1-CD2 4.32Å; F143-L157 HydrophobicContact CE1-CG 4.15Å; F143-L157 HydrophobicContact CE2-CD1 4.24Å; F143-L157 HydrophobicContact CE2-CD2 4.24Å; F143-L157 HydrophobicContact CG-CD1 4.05Å; F143-L157 HydrophobicContact CZ-CB 4.2Å; F143-L157 HydrophobicContact CZ-CD1 3.93Å; F143-L157 HydrophobicContact CZ-CD2 3.87Å; F143-L157 HydrophobicContact CZ-CG 4.21Å; F143-F160 AromaticContact CZ-CD2 3.99Å; F143-F160 HydrophobicContact CZ-CD2 3.99Å; F143-F160 AromaticContact CZ-CE2 3.82Å; F143-F160 HydrophobicContact CZ-CE2 3.82Å
144	A	87.5	Confident	86.1	Confident	54 Å²	54	60 Å²	60	45%	0.446	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-27.9	178.6	0	0	0	0	0	114.3	V125 I140 R141 Q142	V125-A144 HydrophobicContact CG1-CB 4.12Å; I140-A144 PolarHBondContact O-N 3.26Å; R141-A144 WeakPolarHBondContact O-CB 3.29Å; R141-A144 PolarHBondContact O-N 2.87Å; R141-A144 VanDerWaalsContact O-N 3.14Å; Q142-A144 VanDerWaalsContact C-N 3.31Å; Q142-A144 PolarHBondContact O-N 3.42Å
145	Y	87.9	Confident	85.7	Confident	187 Å²	187	55.5 Å²	55.5	73%	0.733	31%	0.307	S	S	*	.	H	α-helix	trans	-82.5	-21.3	176	-70	-65	0	0	0	113.9	R141 Q142 F143 T147	R141-Y145 WeakPolarHBondContact O-CD2 3.11Å; R141-Y145 PolarHBondContact O-N 2.86Å; Q142-Y145 PolarHBondContact O-N 3.27Å; Q142-Y145 VanDerWaalsContact O-N 3.17Å; F143-Y145 PolarHBondContact O-N 3.31Å; F143-Y145 VanDerWaalsContact O-N 3.12Å; Y145-T147 PolarHBondContact O-N 3.36Å
146	I	86.7	Confident	85	Confident	13 Å²	13	57.1 Å²	57.1	7%	0.067	32%	0.317	C	S	.	.			trans	-87.9	102.7	-176.9	-66	167.1	0	0	0	109.3	Y109 Q142 F143 Q151 L152 L157	Y109-I146 PolarHBondContact OH-O 3.11Å; Q142-I146 WeakPolarHBondContact O-CG1 3.21Å; Q142-I146 PolarHBondContact O-N 2.81Å; F143-I146 PolarHBondContact O-N 3.24Å; I146-Q151 HydrophobicContact CG2-CB 4.03Å; I146-L152 HydrophobicContact CD1-CD1 4.42Å; I146-L152 HydrophobicContact CG2-CB 3.71Å; I146-L152 HydrophobicContact CG2-CD1 4.3Å; I146-L157 HydrophobicContact CD1-CD1 3.79Å
147	T	86	Confident	84.4	Confident	79 Å²	79	56.3 Å²	56.3	49%	0.485	31%	0.314	S	S	.	.			trans	-103.3	-16.8	-178.6	56.1	0	0	0	0	113.4	Y145 Q151	Y145-T147 PolarHBondContact O-N 3.36Å; T147-Q151 PolarHBondContact OG1-OE1 3.31Å
148	T	86.3	Confident	83.6	Confident	54 Å²	54	55.4 Å²	55.4	33%	0.331	31%	0.314	S	S	.	.	S	Bend	trans	-122.2	152.5	-176.9	69.9	0	0	0	0	112.4	T150 Q151 L152	T148-T150 PolarHBondContact O-N 2.99Å; T148-T150 PolarHBondContact OG1-OG1 2.94Å; T148-Q151 PolarHBondContact O-N 3.42Å; T148-Q151 WeakPolarHBondContact OG1-CB 3.24Å; T148-Q151 VanDerWaalsContact OG1-CG 3.26Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.32Å; T148-Q151 PolarHBondContact OG1-N 3.44Å; T148-L152 PolarHBondContact O-N 3.14Å
149	A	83.9	Confident	82.7	Confident	26 Å²	26	52.3 Å²	52.3	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-30.4	174.3	0	0	0	0	0	112.8	L152 A153	A149-L152 PolarHBondContact O-N 2.84Å; A149-A153 WeakPolarHBondContact O-CB 3.47Å; A149-A153 PolarHBondContact O-N 3.44Å
150	T	83.7	Confident	81.8	Confident	99 Å²	99	51.7 Å²	51.7	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-68.4	-40.7	176.3	52.4	0	0	0	0	112.5	T148 L152 A153 A154	T148-T150 PolarHBondContact O-N 2.99Å; T148-T150 PolarHBondContact OG1-OG1 2.94Å; T150-L152 VanDerWaalsContact C-N 3.33Å; T150-A153 PolarHBondContact O-N 3.17Å; T150-A154 PolarHBondContact O-N 3.24Å
151	Q	85.3	Confident	80.6	Confident	85 Å²	85	53.1 Å²	53.1	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-40.1	173.2	-74.2	171.7	-17.1	0	0	110.9	I146 T147 T148 A154 S155	I146-Q151 HydrophobicContact CG2-CB 4.03Å; T147-Q151 PolarHBondContact OG1-OE1 3.31Å; T148-Q151 PolarHBondContact O-N 3.42Å; T148-Q151 WeakPolarHBondContact OG1-CB 3.24Å; T148-Q151 VanDerWaalsContact OG1-CG 3.26Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.32Å; T148-Q151 PolarHBondContact OG1-N 3.44Å; Q151-A154 PolarHBondContact O-N 3.25Å; Q151-S155 PolarHBondContact O-N 2.99Å
152	L	83	Confident	80	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-45.6	176.6	-178.8	63	0	0	0	111.3	V110 I113 T114 I146 T148 A149 T150 A154 S155 L157 A158 M161	V110-L152 HydrophobicContact CB-CD2 4.24Å; V110-L152 HydrophobicContact CG1-CD2 3.84Å; V110-L152 HydrophobicContact CG2-CD1 4Å; V110-L152 HydrophobicContact CG2-CD2 4.01Å; I113-L152 HydrophobicContact CG2-CB 4.41Å; I113-L152 HydrophobicContact CG2-CD2 4.33Å; T114-L152 HydrophobicContact CG2-CD2 4.19Å; I146-L152 HydrophobicContact CD1-CD1 4.42Å; I146-L152 HydrophobicContact CG2-CB 3.71Å; I146-L152 HydrophobicContact CG2-CD1 4.3Å; T148-L152 PolarHBondContact O-N 3.14Å; A149-L152 PolarHBondContact O-N 2.84Å; T150-L152 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.4Å; L152-S155 WeakPolarHBondContact O-CB 3.29Å; L152-S155 PolarHBondContact O-N 3.35Å; L152-L157 HydrophobicContact CD1-CB 4.04Å; L152-A158 WeakPolarHBondContact O-CB 3.49Å; L152-M161 HydrophobicContact CD2-SD 3.96Å
153	A	79.2	Confident	79.4	Confident	67 Å²	67	52.7 Å²	52.7	55%	0.554	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-28.6	179.8	0	0	0	0	0	113.7	A149 T150	A149-A153 WeakPolarHBondContact O-CB 3.47Å; A149-A153 PolarHBondContact O-N 3.44Å; T150-A153 PolarHBondContact O-N 3.17Å
154	A	76.3	Confident	79.1	Confident	90 Å²	90	59.1 Å²	59.1	74%	0.744	34%	0.342	S	S	*	.	H	α-helix	trans	-84.5	-11.2	175.8	0	0	0	0	0	113.6	T150 Q151 L152	T150-A154 PolarHBondContact O-N 3.24Å; Q151-A154 PolarHBondContact O-N 3.25Å; L152-A154 PolarHBondContact O-N 3.4Å
155	S	78.4	Confident	78.8	Confident	21 Å²	21	62.1 Å²	62.1	15%	0.147	34%	0.342	C	S	.	.	S	Bend	trans	-92.1	150.2	-178.2	177.8	0	0	0	0	111.2	Q151 L152 L157 A158	Q151-S155 PolarHBondContact O-N 2.99Å; L152-S155 WeakPolarHBondContact O-CB 3.29Å; L152-S155 PolarHBondContact O-N 3.35Å; S155-L157 PolarHBondContact O-N 3.21Å; S155-L157 WeakPolarHBondContact OG-CB 3.23Å; S155-L157 WeakPolarHBondContact OG-CG 3.46Å; S155-L157 PolarHBondContact OG-N 3.05Å; S155-A158 WeakPolarHBondContact O-CB 3.48Å; S155-A158 PolarHBondContact O-N 3.01Å
156	P	71.8	Confident	78.8	Confident	54 Å²	54	53.3 Å²	53.3	35%	0.351	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.2	-21.4	167	25.8	-37.9	0	0	0	112.9	A158 L159 I491 A492	P156-A158 PolarHBondContact O-N 3.15Å; P156-L159 VanDerWaalsContact O-CB 3.32Å; P156-L159 WeakPolarHBondContact O-CB 3.04Å; P156-L159 PolarHBondContact O-N 2.89Å; P156-I491 WeakPolarHBondContact CB-O 3.28Å; P156-A492 HydrophobicContact CB-CB 4.41Å
157	L	76.2	Confident	79	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-69.9	-12.4	176.2	-56.4	176.7	0	0	0	113.1	Y139 Q142 F143 I146 L152 S155 L159 F160 L218	Y139-L157 HydrophobicContact CD1-CD2 4.23Å; Q142-L157 HydrophobicContact CB-CD1 3.82Å; F143-L157 HydrophobicContact CD1-CD1 3.72Å; F143-L157 HydrophobicContact CD2-CD1 4.3Å; F143-L157 HydrophobicContact CE1-CB 3.87Å; F143-L157 HydrophobicContact CE1-CD1 3.67Å; F143-L157 HydrophobicContact CE1-CD2 4.32Å; F143-L157 HydrophobicContact CE1-CG 4.15Å; F143-L157 HydrophobicContact CE2-CD1 4.24Å; F143-L157 HydrophobicContact CE2-CD2 4.24Å; F143-L157 HydrophobicContact CG-CD1 4.05Å; F143-L157 HydrophobicContact CZ-CB 4.2Å; F143-L157 HydrophobicContact CZ-CD1 3.93Å; F143-L157 HydrophobicContact CZ-CD2 3.87Å; F143-L157 HydrophobicContact CZ-CG 4.21Å; I146-L157 HydrophobicContact CD1-CD1 3.79Å; L152-L157 HydrophobicContact CD1-CB 4.04Å; S155-L157 PolarHBondContact O-N 3.21Å; S155-L157 WeakPolarHBondContact OG-CB 3.23Å; S155-L157 WeakPolarHBondContact OG-CG 3.46Å; S155-L157 PolarHBondContact OG-N 3.05Å; L157-L159 PolarHBondContact O-N 3.23Å; L157-F160 HydrophobicContact CD2-CE2 4.17Å; L157-F160 WeakPolarHBondContact O-CD2 3.26Å; L157-F160 PolarHBondContact O-N 3.32Å; L157-L218 HydrophobicContact CD2-CD1 4.33Å; L157-L218 HydrophobicContact CD2-CD2 3.93Å
158	A	72.8	Confident	79.3	Confident	26 Å²	26	50.3 Å²	50.3	22%	0.215	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-55.1	-20.5	166.7	0	0	0	0	0	112.8	L152 S155 P156 F160 M161	L152-A158 WeakPolarHBondContact O-CB 3.49Å; S155-A158 WeakPolarHBondContact O-CB 3.48Å; S155-A158 PolarHBondContact O-N 3.01Å; P156-A158 PolarHBondContact O-N 3.15Å; A158-F160 PolarHBondContact O-N 2.84Å; A158-M161 WeakPolarHBondContact O-CB 3.46Å; A158-M161 WeakPolarHBondContact O-CG 3.25Å; A158-M161 PolarHBondContact O-N 3.48Å
159	L	69.5	Low	79.5	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.084	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.6	-36	177.7	-177.5	116.5	0	0	0	113.3	P156 L157 M161 K162 R165 L218 L219 I491	P156-L159 VanDerWaalsContact O-CB 3.32Å; P156-L159 WeakPolarHBondContact O-CB 3.04Å; P156-L159 PolarHBondContact O-N 2.89Å; L157-L159 PolarHBondContact O-N 3.23Å; L159-M161 PolarHBondContact O-N 3.26Å; L159-M161 VanDerWaalsContact O-N 3.15Å; L159-K162 PolarHBondContact O-N 3.04Å; L159-R165 HydrophobicContact CD2-CB 3.79Å; L159-R165 HydrophobicContact CD2-CG 4.4Å; L159-R165 HydrophobicContact CG-CB 4.05Å; L159-R165 HydrophobicContact CG-CG 4.1Å; L159-L218 HydrophobicContact CD2-CD2 4.38Å; L159-L219 HydrophobicContact CD1-CD2 3.84Å; L159-L219 HydrophobicContact CD2-CD2 3.75Å; L159-L219 HydrophobicContact CG-CD2 4.42Å; L159-I491 HydrophobicContact CD1-CB 4.12Å; L159-I491 HydrophobicContact CD1-CD1 4.05Å; L159-I491 HydrophobicContact CD1-CG2 3.46Å; L159-I491 VanDerWaalsContact CD1-CG2 3.46Å; L159-I491 HydrophobicContact CD2-CD1 4.4Å
160	F	68.9	Low	80	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-65.9	-13.1	178.4	-70	-73.5	0	0	0	113.4	A106 Y107 V110 F143 L157 A158 K162 L218	A106-F160 HydrophobicContact CB-CD1 3.99Å; A106-F160 HydrophobicContact CB-CD2 4.04Å; A106-F160 HydrophobicContact CB-CE1 3.66Å; A106-F160 HydrophobicContact CB-CE2 3.65Å; A106-F160 HydrophobicContact CB-CG 4.19Å; A106-F160 HydrophobicContact CB-CZ 3.45Å; A106-F160 VanDerWaalsContact CB-CZ 3.45Å; Y107-F160 HydrophobicContact CD1-CB 3.82Å; Y107-F160 AromaticContact CD1-CD1 3.83Å; Y107-F160 HydrophobicContact CD1-CD1 3.83Å; Y107-F160 HydrophobicContact CD1-CG 4.3Å; Y107-F160 WeakPolarHBondContact CD1-O 3.09Å; Y107-F160 HydrophobicContact CD2-CD1 4.25Å; Y107-F160 HydrophobicContact CE1-CB 3.8Å; Y107-F160 AromaticContact CE1-CD1 3.49Å; Y107-F160 HydrophobicContact CE1-CD1 3.49Å; Y107-F160 VanDerWaalsContact CE1-CD1 3.49Å; Y107-F160 HydrophobicContact CE1-CG 4.14Å; Y107-F160 WeakPolarHBondContact CE1-O 3.47Å; Y107-F160 AromaticContact CE2-CD1 3.91Å; Y107-F160 HydrophobicContact CE2-CD1 3.91Å; Y107-F160 HydrophobicContact CE2-CE1 4.26Å; Y107-F160 HydrophobicContact CG-CD1 4.16Å; Y107-F160 AromaticContact CZ-CD1 3.5Å; Y107-F160 VanDerWaalsContact CZ-CD1 3.5Å; V110-F160 HydrophobicContact CB-CB 4.36Å; V110-F160 HydrophobicContact CG1-CB 4.37Å; V110-F160 HydrophobicContact CG2-CB 3.93Å; F143-F160 AromaticContact CZ-CD2 3.99Å; F143-F160 HydrophobicContact CZ-CD2 3.99Å; F143-F160 AromaticContact CZ-CE2 3.82Å; F143-F160 HydrophobicContact CZ-CE2 3.82Å; L157-F160 HydrophobicContact CD2-CE2 4.17Å; L157-F160 WeakPolarHBondContact O-CD2 3.26Å; L157-F160 PolarHBondContact O-N 3.32Å; A158-F160 PolarHBondContact O-N 2.84Å; F160-K162 PolarHBondContact O-N 3.21Å; F160-L218 HydrophobicContact CD2-CD2 4.39Å; F160-L218 HydrophobicContact CE1-CG 4.47Å; F160-L218 HydrophobicContact CE2-CD1 3.42Å; F160-L218 VanDerWaalsContact CE2-CD1 3.42Å; F160-L218 HydrophobicContact CE2-CD2 3.64Å; F160-L218 HydrophobicContact CE2-CG 3.6Å; F160-L218 HydrophobicContact CZ-CD1 3.28Å; F160-L218 HydrophobicContact CZ-CD2 4.05Å; F160-L218 HydrophobicContact CZ-CG 3.48Å; F160-L218 VanDerWaalsContact CZ-CG 3.48Å
161	M	66.1	Low	80.5	Confident	38 Å²	38	44.5 Å²	44.5	19%	0.187	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-66.5	-25.7	170.6	-56.8	-74.7	-93.1	0	0	112	V60 V110 T114 L152 A158 L159	V60-M161 HydrophobicContact CB-CE 4.42Å; V60-M161 HydrophobicContact CG1-CB 4.5Å; V60-M161 HydrophobicContact CG1-CE 3.4Å; V60-M161 VanDerWaalsContact CG1-CE 3.4Å; V60-M161 HydrophobicContact CG1-SD 4.46Å; V110-M161 HydrophobicContact CG1-CG 4.05Å; V110-M161 HydrophobicContact CG1-SD 3.29Å; V110-M161 WeakPolarHBondContact CG1-SD 3.41Å; T114-M161 HydrophobicContact CG2-CE 3.17Å; T114-M161 HydrophobicContact CG2-SD 3.26Å; T114-M161 WeakPolarHBondContact CG2-SD 3.41Å; L152-M161 HydrophobicContact CD2-SD 3.96Å; A158-M161 WeakPolarHBondContact O-CB 3.46Å; A158-M161 WeakPolarHBondContact O-CG 3.25Å; A158-M161 PolarHBondContact O-N 3.48Å; L159-M161 PolarHBondContact O-N 3.26Å; L159-M161 VanDerWaalsContact O-N 3.15Å
162	K	76.9	Confident	80.9	Confident	110 Å²	110	46.4 Å²	46.4	48%	0.478	25%	0.248	S	C	.	.	S	Bend	trans	-93.6	136.9	-175.8	-65.6	179.2	-178.3	174.5	0	110.4	L159 F160 R165	L159-K162 PolarHBondContact O-N 3.04Å; F160-K162 PolarHBondContact O-N 3.21Å; K162-R165 HydrophobicContact CB-CG 3.76Å; K162-R165 WeakPolarHBondContact O-CG 3.28Å
163	P	74.7	Confident	81.4	Confident	84 Å²	84	49.3 Å²	49.3	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	152.4	-179.5	28	-34.7	0	0	0	112.1	R165 S194	P163-R165 VanDerWaalsContact C-N 3.27Å; P163-R165 PolarHBondContact O-N 3.26Å; P163-S194 WeakPolarHBondContact CB-O 3.34Å
164	K	80.2	Confident	82.1	Confident	136 Å²	136	46.1 Å²	46.1	59%	0.591	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	35.1	173.1	-58.7	-171.5	179.2	-178.1	0	115.5	K193 S194 H195 A197	K164-K193 WeakPolarHBondContact CE-O 3.41Å; K164-S194 WeakPolarHBondContact CG-O 3.43Å; K164-S194 PolarHBondContact N-O 2.88Å; K164-H195 WeakPolarHBondContact CA-O 3.24Å; K164-H195 PolarHBondContact N-O 3.49Å; K164-A197 HydrophobicContact CB-CB 4.3Å
165	R	82	Confident	82.9	Confident	117 Å²	117	44.4 Å²	44.4	44%	0.442	21%	0.211	S	C	.	.			trans	-85.5	-30.4	179.1	-74	-75.2	171.3	164.6	-4.6	113.7	L159 K162 P163 H195	L159-R165 HydrophobicContact CD2-CB 3.79Å; L159-R165 HydrophobicContact CD2-CG 4.4Å; L159-R165 HydrophobicContact CG-CB 4.05Å; L159-R165 HydrophobicContact CG-CG 4.1Å; K162-R165 HydrophobicContact CB-CG 3.76Å; K162-R165 WeakPolarHBondContact O-CG 3.28Å; P163-R165 VanDerWaalsContact C-N 3.27Å; P163-R165 PolarHBondContact O-N 3.26Å; R165-H195 PolarHBondContact N-O 3.3Å
166	T	87.1	Confident	83.7	Confident	1 Å²	1	50 Å²	50	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.1	178	-50.4	0	0	0	0	109.1	P103 Y107 I168 A197 L219	P103-T166 HydrophobicContact CB-CG2 4.04Å; P103-T166 HydrophobicContact CG-CG2 3.84Å; Y107-T166 PolarHBondContact OH-OG1 3.2Å; T166-I168 HydrophobicContact CG2-CG1 4.36Å; T166-A197 PolarHBondContact O-N 3.11Å; T166-L219 WeakPolarHBondContact CA-O 3.38Å
167	L	91	Very high	84.7	Confident	25 Å²	25	48.5 Å²	48.5	13%	0.131	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125	174.8	-174.6	77.5	0	0	0	110	A197 E199 L219 G220 E221 P223	L167-A197 CarbonylContact C-O 3.53Å; L167-A197 WeakPolarHBondContact CA-O 3.23Å; L167-A197 HydrophobicContact CD1-CB 3.73Å; L167-E199 HydrophobicContact CD1-CB 4.07Å; L167-L219 PolarHBondContact N-O 3.49Å; L167-G220 CarbonylContact O-C 3.58Å; L167-G220 WeakPolarHBondContact O-CA 3.44Å; L167-E221 WeakPolarHBondContact CD2-O 3.13Å; L167-E221 PolarHBondContact O-N 2.89Å; L167-P223 HydrophobicContact CD2-CB 4.03Å; L167-P223 HydrophobicContact CD2-CG 3.93Å
168	I	91.6	Very high	85.5	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.3	172	-67.2	171.6	0	0	0	108.2	C99 L100 P103 T166 L170 V196 A197 I198 E199	C99-I168 HydrophobicContact CB-CG2 4.5Å; L100-I168 HydrophobicContact CD2-CD1 3.47Å; L100-I168 VanDerWaalsContact CD2-CD1 3.47Å; L100-I168 HydrophobicContact CG-CD1 4.1Å; P103-I168 HydrophobicContact CG-CD1 4.17Å; T166-I168 HydrophobicContact CG2-CG1 4.36Å; I168-L170 HydrophobicContact CG2-CD2 3.89Å; I168-L170 HydrophobicContact CG2-CG 4.14Å; I168-V196 HydrophobicContact CB-CG1 4.41Å; I168-V196 HydrophobicContact CD1-CG1 3.95Å; I168-V196 HydrophobicContact CG1-CG1 4.31Å; I168-A197 PolarHBondContact N-O 2.98Å; I168-I198 WeakPolarHBondContact O-CA 3.41Å; I168-E199 PolarHBondContact O-N 3.5Å
169	R	91.6	Very high	86.5	Confident	56 Å²	56	51 Å²	51	21%	0.211	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.5	172.4	-69.1	-174.3	-62.8	169.3	0.2	109.8	E199 T201 R206 E221	R169-E199 VanDerWaalsContact CA-O 3.24Å; R169-E199 WeakPolarHBondContact CA-O 3.46Å; R169-E199 HydrophobicContact CG-CB 4.12Å; R169-E199 HydrophobicContact CG-CG 4.46Å; R169-T201 HydrophobicContact CB-CG2 4.2Å; R169-R206 PolarHBondContact O-NH2 2.82Å; R169-E221 IonicContact CZ-OE2 3.69Å; R169-E221 PolarHBondContact N-OE1 2.98Å; R169-E221 IonicContact NE-OE2 3.7Å; R169-E221 PolarHBondContact NE-OE2 2.78Å; R169-E221 IonicContact NH2-OE2 3.21Å; R169-E221 PolarHBondContact NH2-OE2 2.79Å
170	L	93.3	Very high	87.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.4	175.3	-63.1	-179.5	0	0	0	109.3	E96 L97 I168 L178 I198 E199 L200 T201	E96-L170 HydrophobicContact CB-CD2 3.84Å; L97-L170 HydrophobicContact CD2-CD1 4.3Å; L97-L170 HydrophobicContact CD2-CD2 4.12Å; I168-L170 HydrophobicContact CG2-CD2 3.89Å; I168-L170 HydrophobicContact CG2-CG 4.14Å; L170-L178 HydrophobicContact CD1-CD2 3.85Å; L170-I198 HydrophobicContact CB-CG2 4.18Å; L170-I198 HydrophobicContact CD1-CD1 4.18Å; L170-I198 HydrophobicContact CD1-CG1 4.49Å; L170-I198 HydrophobicContact CD1-CG2 3.79Å; L170-I198 HydrophobicContact CG-CG2 4.03Å; L170-E199 PolarHBondContact N-O 3.43Å; L170-L200 CarbonylContact O-C 3.59Å; L170-L200 WeakPolarHBondContact O-CA 3.35Å; L170-T201 PolarHBondContact O-N 3.02Å; L170-T201 PolarHBondContact O-OG1 3.47Å
171	S	94.1	Very high	88.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	157.1	162.6	66.5	0	0	0	0	110.2	E96 E173 S174 E175 N203 A205	E96-S171 WeakPolarHBondContact OE2-CB 3.43Å; E96-S171 PolarHBondContact OE2-N 3.05Å; E96-S171 PolarHBondContact OE2-OG 2.81Å; S171-E173 PolarHBondContact O-N 3.2Å; S171-E173 VanDerWaalsContact O-N 3.14Å; S171-S174 PolarHBondContact O-N 3.48Å; S171-S174 PolarHBondContact OG-N 3.34Å; S171-S174 PolarHBondContact OG-OG 2.99Å; S171-E175 PolarHBondContact O-N 3.29Å; S171-N203 WeakPolarHBondContact CB-O 3.32Å; S171-A205 WeakPolarHBondContact OG-CB 3.1Å
172	R	94.2	Very high	89.9	Confident	124 Å²	124	57.3 Å²	57.3	47%	0.468	25%	0.25	S	S	.	.	H	α-helix	trans	-58.7	-23.3	172.8	-68.6	-174.7	179.7	-101.9	3.6	113.1	R176 T201 E202	R172-R176 VanDerWaalsContact O-CG 3.32Å; R172-R176 WeakPolarHBondContact O-CG 3.19Å; R172-R176 PolarHBondContact O-N 3.2Å; R172-R176 PolarHBondContact O-NE 2.92Å; R172-T201 PolarHBondContact N-O 2.83Å; R172-E202 IonicContact CZ-OE1 3.3Å; R172-E202 VanDerWaalsContact CZ-OE1 3.3Å; R172-E202 IonicContact CZ-OE2 3.14Å; R172-E202 VanDerWaalsContact NE-CD 3.29Å; R172-E202 IonicContact NE-OE1 3.1Å; R172-E202 PolarHBondContact NE-OE1 3.26Å; R172-E202 VanDerWaalsContact NE-OE1 3.1Å; R172-E202 IonicContact NE-OE2 2.85Å; R172-E202 PolarHBondContact NE-OE2 2.8Å; R172-E202 IonicContact NH2-OE1 2.68Å; R172-E202 PolarHBondContact NH2-OE1 2.71Å; R172-E202 IonicContact NH2-OE2 3.77Å
173	E	93.1	Very high	90.6	Very high	62 Å²	62	57.6 Å²	57.6	29%	0.29	26%	0.261	S	S	.	.	H	α-helix	trans	-73.5	-51.1	175.1	-165.7	176.9	-172	0	0	110.9	R92 S171 E175 R176 E177	R92-E173 WeakPolarHBondContact CD-OE2 3.32Å; S171-E173 PolarHBondContact O-N 3.2Å; S171-E173 VanDerWaalsContact O-N 3.14Å; E173-E175 PolarHBondContact O-N 3.47Å; E173-R176 PolarHBondContact O-N 3.22Å; E173-E177 PolarHBondContact O-N 3.49Å; E173-E177 VanDerWaalsContact O-N 3.14Å
174	S	94.1	Very high	91.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-42.5	176.6	-58.9	0	0	0	0	112.3	E96 S171 R176 E177 L178	E96-S174 VanDerWaalsContact OE2-CB 3.27Å; E96-S174 WeakPolarHBondContact OE2-CB 3.32Å; E96-S174 PolarHBondContact OE2-OG 3.31Å; S171-S174 PolarHBondContact O-N 3.48Å; S171-S174 PolarHBondContact OG-N 3.34Å; S171-S174 PolarHBondContact OG-OG 2.99Å; S174-R176 PolarHBondContact O-N 3.35Å; S174-E177 PolarHBondContact O-N 3.46Å; S174-L178 WeakPolarHBondContact O-CB 3.37Å; S174-L178 PolarHBondContact O-N 3.45Å
175	E	94.6	Very high	91.7	Very high	53 Å²	53	53.2 Å²	53.2	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-46.1	175.6	-176.7	-163	-148.9	0	0	111.8	S171 E173 E177 L178 D179 L200	S171-E175 PolarHBondContact O-N 3.29Å; E173-E175 PolarHBondContact O-N 3.47Å; E175-E177 VanDerWaalsContact C-N 3.29Å; E175-E177 PolarHBondContact O-N 3.37Å; E175-L178 WeakPolarHBondContact O-CB 3.16Å; E175-L178 PolarHBondContact O-N 3Å; E175-D179 PolarHBondContact O-N 2.86Å; E175-L200 HydrophobicContact CB-CD2 3.76Å; E175-L200 HydrophobicContact CG-CD2 3.82Å; E175-L200 WeakPolarHBondContact OE1-CD1 3.37Å; E175-L200 WeakPolarHBondContact OE2-CD1 3.35Å; E175-L200 WeakPolarHBondContact OE2-CD2 3.44Å
176	R	93.5	Very high	92	Very high	140 Å²	140	51.7 Å²	51.7	53%	0.528	24%	0.244	S	C	.	.	H	α-helix	trans	-66.6	-28.6	179.1	-74.5	178.7	-71.1	158.2	-0.6	113.3	R172 E173 S174 R180	R172-R176 VanDerWaalsContact O-CG 3.32Å; R172-R176 WeakPolarHBondContact O-CG 3.19Å; R172-R176 PolarHBondContact O-N 3.2Å; R172-R176 PolarHBondContact O-NE 2.92Å; E173-R176 PolarHBondContact O-N 3.22Å; S174-R176 PolarHBondContact O-N 3.35Å; R176-R180 WeakPolarHBondContact O-CG 3.46Å; R176-R180 PolarHBondContact O-N 2.83Å; R176-R180 PolarHBondContact O-NE 3.45Å
177	E	93.5	Very high	91.9	Very high	21 Å²	21	52.9 Å²	52.9	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-76.4	-40.1	172.3	-73.5	-169.9	-170.5	0	0	111.4	V89 S90 L97 E173 S174 E175 R180 I181	V89-E177 VanDerWaalsContact CG1-OE2 3.29Å; V89-E177 WeakPolarHBondContact CG1-OE2 3.35Å; S90-E177 VanDerWaalsContact CB-OE1 3.29Å; S90-E177 WeakPolarHBondContact CB-OE1 3.44Å; S90-E177 PolarHBondContact N-OE2 3.03Å; S90-E177 VanDerWaalsContact OG-CD 3.28Å; S90-E177 PolarHBondContact OG-OE1 3.19Å; S90-E177 PolarHBondContact OG-OE2 2.88Å; L97-E177 HydrophobicContact CD1-CB 4.13Å; E173-E177 PolarHBondContact O-N 3.49Å; E173-E177 VanDerWaalsContact O-N 3.14Å; S174-E177 PolarHBondContact O-N 3.46Å; E175-E177 VanDerWaalsContact C-N 3.29Å; E175-E177 PolarHBondContact O-N 3.37Å; E177-R180 PolarHBondContact O-N 2.93Å; E177-I181 WeakPolarHBondContact O-CG1 3.41Å; E177-I181 PolarHBondContact O-N 3.28Å
178	L	93.7	Very high	91.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-58.4	-51.1	173.2	-180	62.2	0	0	0	111.2	L97 L100 L170 S174 E175 R180 I181 L182 I192 I198	L97-L178 HydrophobicContact CD2-CB 3.83Å; L97-L178 HydrophobicContact CD2-CD1 4.46Å; L100-L178 HydrophobicContact CD1-CD1 3.71Å; L100-L178 HydrophobicContact CD1-CD2 3.72Å; L100-L178 HydrophobicContact CD1-CG 4.33Å; L170-L178 HydrophobicContact CD1-CD2 3.85Å; S174-L178 WeakPolarHBondContact O-CB 3.37Å; S174-L178 PolarHBondContact O-N 3.45Å; E175-L178 WeakPolarHBondContact O-CB 3.16Å; E175-L178 PolarHBondContact O-N 3Å; L178-R180 PolarHBondContact O-N 3.17Å; L178-I181 PolarHBondContact O-N 3.48Å; L178-L182 HydrophobicContact CD1-CD1 3.98Å; L178-L182 HydrophobicContact CD1-CD2 4.26Å; L178-L182 HydrophobicContact CD1-CG 3.94Å; L178-L182 HydrophobicContact CD2-CD1 4.31Å; L178-L182 HydrophobicContact CG-CD1 3.76Å; L178-L182 HydrophobicContact CG-CG 4.1Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.38Å; L178-I192 HydrophobicContact CD1-CD1 4.43Å; L178-I198 HydrophobicContact CD2-CD1 4.01Å
179	D	93	Very high	91.5	Very high	79 Å²	79	52 Å²	52	42%	0.422	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-36.6	180	-80.3	-23.5	0	0	0	112.2	E175 I181 L182 V183	E175-D179 PolarHBondContact O-N 2.86Å; D179-I181 VanDerWaalsContact C-N 3.35Å; D179-I181 PolarHBondContact O-N 3.2Å; D179-L182 PolarHBondContact O-N 3.28Å; D179-V183 WeakPolarHBondContact O-CG2 3.49Å; D179-V183 PolarHBondContact O-N 3.02Å
180	R	92.9	Very high	91.2	Very high	158 Å²	158	51.3 Å²	51.3	60%	0.596	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-39.9	175.5	-82	-179.3	-91.8	168.3	-4.7	112.3	R176 E177 L178	R176-R180 WeakPolarHBondContact O-CG 3.46Å; R176-R180 PolarHBondContact O-N 2.83Å; R176-R180 PolarHBondContact O-NE 3.45Å; E177-R180 PolarHBondContact O-N 2.93Å; L178-R180 PolarHBondContact O-N 3.17Å
181	I	92.1	Very high	90.7	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-73.2	-39.3	178.4	-61.8	166.7	0	0	0	110.8	L81 A84 L85 V89 E177 L178 D179 V183 D184 L185	L81-I181 HydrophobicContact CD1-CG2 4Å; A84-I181 HydrophobicContact CB-CD1 4.25Å; A84-I181 HydrophobicContact CB-CG1 4.28Å; A84-I181 HydrophobicContact CB-CG2 3.71Å; L85-I181 HydrophobicContact CD2-CD1 4.05Å; V89-I181 HydrophobicContact CG2-CD1 3.39Å; E177-I181 WeakPolarHBondContact O-CG1 3.41Å; E177-I181 PolarHBondContact O-N 3.28Å; L178-I181 PolarHBondContact O-N 3.48Å; D179-I181 VanDerWaalsContact C-N 3.35Å; D179-I181 PolarHBondContact O-N 3.2Å; I181-V183 PolarHBondContact O-N 2.59Å; I181-D184 PolarHBondContact O-N 3.05Å; I181-D184 VanDerWaalsContact O-N 3.15Å; I181-L185 HydrophobicContact CG2-CD1 3.89Å
182	L	91.1	Very high	90.4	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-14.1	-178	-66.1	-177.8	0	0	0	114	L178 D179 D184 L185 L188 I192	L178-L182 HydrophobicContact CD1-CD1 3.98Å; L178-L182 HydrophobicContact CD1-CD2 4.26Å; L178-L182 HydrophobicContact CD1-CG 3.94Å; L178-L182 HydrophobicContact CD2-CD1 4.31Å; L178-L182 HydrophobicContact CG-CD1 3.76Å; L178-L182 HydrophobicContact CG-CG 4.1Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.38Å; D179-L182 PolarHBondContact O-N 3.28Å; L182-D184 PolarHBondContact O-N 3.26Å; L182-L185 CarbonylContact O-C 3.53Å; L182-L185 PolarHBondContact O-N 2.88Å; L182-L188 HydrophobicContact CD2-CD2 3.59Å; L182-I192 HydrophobicContact CD1-CD1 4.06Å; L182-I192 HydrophobicContact CD2-CD1 3.78Å
183	V	91.1	Very high	90	Very high	116 Å²	116	52.6 Å²	52.6	70%	0.703	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.8	170.2	171.1	0	0	0	0	111.1	D179 I181	D179-V183 WeakPolarHBondContact O-CG2 3.49Å; D179-V183 PolarHBondContact O-N 3.02Å; I181-V183 PolarHBondContact O-N 2.59Å
184	D	88.9	Confident	89.6	Confident	118 Å²	118	52 Å²	52	63%	0.631	27%	0.273	S	S	*	.	S	Bend	trans	-85.5	-10.1	-178.9	-63.2	-31.4	0	0	0	112.7	I181 L182 P186	I181-D184 PolarHBondContact O-N 3.05Å; I181-D184 VanDerWaalsContact O-N 3.15Å; L182-D184 PolarHBondContact O-N 3.26Å; D184-P186 WeakPolarHBondContact O-CD 2.98Å
185	L	90.3	Very high	89.1	Confident	10 Å²	10	53.2 Å²	53.2	5%	0.052	28%	0.278	C	S	.	.			trans	-126.6	73.7	-172.1	-52.6	179	0	0	0	111.5	E77 L81 I181 L182 L188 G189	E77-L185 HydrophobicContact CB-CD2 4.01Å; E77-L185 HydrophobicContact CG-CB 4.49Å; E77-L185 HydrophobicContact CG-CD2 3.92Å; E77-L185 VanDerWaalsContact OE2-C 3.31Å; L81-L185 HydrophobicContact CB-CD1 3.79Å; L81-L185 HydrophobicContact CD1-CD1 4.16Å; I181-L185 HydrophobicContact CG2-CD1 3.89Å; L182-L185 CarbonylContact O-C 3.53Å; L182-L185 PolarHBondContact O-N 2.88Å; L185-L188 HydrophobicContact CB-CB 4.3Å; L185-G189 PolarHBondContact O-N 3.21Å
186	P	86.8	Confident	88.8	Confident	84 Å²	84	51 Å²	51	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-69.2	-38	-171	26.8	-34.8	0	0	0	114	D184 G190	D184-P186 WeakPolarHBondContact O-CD 2.98Å; P186-G190 PolarHBondContact O-N 2.74Å
187	A	85.9	Confident	88.7	Confident	27 Å²	27	45.5 Å²	45.5	22%	0.223	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-45.5	-178.8	0	0	0	0	0	110.5	E77 G190 L191	E77-A187 WeakPolarHBondContact OE1-CB 3.16Å; E77-A187 PolarHBondContact OE1-N 3Å; E77-A187 WeakPolarHBondContact OE2-CA 3.19Å; E77-A187 VanDerWaalsContact OE2-CB 3.31Å; E77-A187 WeakPolarHBondContact OE2-CB 3.45Å; E77-A187 PolarHBondContact OE2-N 3.4Å; A187-G190 PolarHBondContact O-N 2.89Å; A187-L191 PolarHBondContact O-N 3.39Å; A187-L191 VanDerWaalsContact O-N 3.11Å
188	L	87.4	Confident	88.6	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-37.5	177.1	-169.6	149.7	0	0	0	111.8	E77 L81 I104 L182 L185 G190 L191 I192	E77-L188 HydrophobicContact CB-CB 4.4Å; E77-L188 PolarHBondContact OE2-N 3.15Å; L81-L188 HydrophobicContact CB-CD1 4.13Å; L81-L188 HydrophobicContact CD2-CD1 3.77Å; L81-L188 HydrophobicContact CD2-CD2 3.94Å; L81-L188 HydrophobicContact CD2-CG 4.48Å; I104-L188 HydrophobicContact CD1-CD2 4.08Å; I104-L188 HydrophobicContact CG2-CD1 3.86Å; I104-L188 HydrophobicContact CG2-CG 4.13Å; L182-L188 HydrophobicContact CD2-CD2 3.59Å; L185-L188 HydrophobicContact CB-CB 4.3Å; L188-G190 VanDerWaalsContact C-N 3.3Å; L188-G190 PolarHBondContact O-N 2.71Å; L188-L191 WeakPolarHBondContact O-CB 3.39Å; L188-L191 PolarHBondContact O-N 3.13Å; L188-I192 HydrophobicContact CD2-CD1 3.47Å; L188-I192 VanDerWaalsContact CD2-CD1 3.47Å; L188-I192 HydrophobicContact CD2-CG1 4.03Å; L188-I192 WeakPolarHBondContact O-CG1 3.38Å; L188-I192 PolarHBondContact O-N 2.87Å
189	G	86.3	Confident	88.5	Confident	5 Å²	5	49.9 Å²	49.9	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-36.7	172.8	0	0	0	0	0	113.1	L185 K193	L185-G189 PolarHBondContact O-N 3.21Å; G189-K193 VanDerWaalsContact O-CG 3.29Å; G189-K193 WeakPolarHBondContact O-CG 3.08Å; G189-K193 PolarHBondContact O-N 2.95Å
190	G	84.9	Confident	88.5	Confident	40 Å²	40	49.2 Å²	49.2	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-47.2	170.8	0	0	0	0	0	112.4	P186 A187 L188 K193 S194	P186-G190 PolarHBondContact O-N 2.74Å; A187-G190 PolarHBondContact O-N 2.89Å; L188-G190 VanDerWaalsContact C-N 3.3Å; L188-G190 PolarHBondContact O-N 2.71Å; G190-K193 PolarHBondContact O-N 3.23Å; G190-S194 PolarHBondContact O-N 3.24Å; G190-S194 VanDerWaalsContact O-N 3.07Å; G190-S194 PolarHBondContact O-OG 2.91Å; G190-S194 VanDerWaalsContact O-OG 3.14Å
191	L	84.2	Confident	88.2	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-46.5	179.9	-169.1	77.4	0	0	0	112.6	F68 I104 L108 A187 L188 K193 S194 H195	F68-L191 HydrophobicContact CE2-CD1 4.33Å; F68-L191 HydrophobicContact CZ-CB 4.31Å; F68-L191 HydrophobicContact CZ-CD1 3.85Å; I104-L191 HydrophobicContact CG2-CD2 4.27Å; L108-L191 HydrophobicContact CD2-CD2 4.01Å; L108-L191 HydrophobicContact CG-CD2 4.04Å; A187-L191 PolarHBondContact O-N 3.39Å; A187-L191 VanDerWaalsContact O-N 3.11Å; L188-L191 WeakPolarHBondContact O-CB 3.39Å; L188-L191 PolarHBondContact O-N 3.13Å; L191-K193 VanDerWaalsContact C-N 3.32Å; L191-K193 PolarHBondContact O-N 3.08Å; L191-S194 PolarHBondContact O-N 2.82Å; L191-S194 PolarHBondContact O-OG 2.84Å; L191-S194 VanDerWaalsContact O-OG 3.08Å; L191-H195 VanDerWaalsContact CD1-CD2 3.49Å; L191-H195 WeakPolarHBondContact CD1-CD2 3.43Å; L191-H195 WeakPolarHBondContact O-CB 3.43Å; L191-H195 PolarHBondContact O-N 3.43Å
192	I	86.9	Confident	87.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-46.1	177.7	-68.7	176.1	0	0	0	110	I104 L178 L182 L188 S194 V196 I198	I104-I192 HydrophobicContact CD1-CD1 3.7Å; I104-I192 HydrophobicContact CD1-CG1 3.84Å; I104-I192 HydrophobicContact CG1-CD1 4.43Å; I104-I192 HydrophobicContact CG1-CG1 4.02Å; L178-I192 HydrophobicContact CD1-CD1 4.43Å; L182-I192 HydrophobicContact CD1-CD1 4.06Å; L182-I192 HydrophobicContact CD2-CD1 3.78Å; L188-I192 HydrophobicContact CD2-CD1 3.47Å; L188-I192 VanDerWaalsContact CD2-CD1 3.47Å; L188-I192 HydrophobicContact CD2-CG1 4.03Å; L188-I192 WeakPolarHBondContact O-CG1 3.38Å; L188-I192 PolarHBondContact O-N 2.87Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 PolarHBondContact O-N 2.78Å; I192-V196 HydrophobicContact CG2-CB 4.23Å; I192-V196 WeakPolarHBondContact O-CA 3.4Å; I192-V196 WeakPolarHBondContact O-CB 3.47Å; I192-V196 PolarHBondContact O-N 3.02Å; I192-I198 HydrophobicContact CG2-CD1 3.98Å
193	K	86.6	Confident	87.8	Confident	148 Å²	148	50.8 Å²	50.8	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-65.7	-33.8	-177.8	-73.3	173.4	-177.5	174.1	0	113.2	K164 G189 G190 L191	K164-K193 WeakPolarHBondContact CE-O 3.41Å; G189-K193 VanDerWaalsContact O-CG 3.29Å; G189-K193 WeakPolarHBondContact O-CG 3.08Å; G189-K193 PolarHBondContact O-N 2.95Å; G190-K193 PolarHBondContact O-N 3.23Å; L191-K193 VanDerWaalsContact C-N 3.32Å; L191-K193 PolarHBondContact O-N 3.08Å
194	S	83.6	Confident	87.7	Confident	49 Å²	49	49.5 Å²	49.5	34%	0.343	28%	0.282	S	S	.	.	H	α-helix	trans	-82.9	-37.7	179.5	58	0	0	0	0	112.8	P163 K164 G190 L191 I192	P163-S194 WeakPolarHBondContact CB-O 3.34Å; K164-S194 WeakPolarHBondContact CG-O 3.43Å; K164-S194 PolarHBondContact N-O 2.88Å; G190-S194 PolarHBondContact O-N 3.24Å; G190-S194 VanDerWaalsContact O-N 3.07Å; G190-S194 PolarHBondContact O-OG 2.91Å; G190-S194 VanDerWaalsContact O-OG 3.14Å; L191-S194 PolarHBondContact O-N 2.82Å; L191-S194 PolarHBondContact O-OG 2.84Å; L191-S194 VanDerWaalsContact O-OG 3.08Å; I192-S194 VanDerWaalsContact C-N 3.34Å; I192-S194 PolarHBondContact O-N 2.78Å
195	H	83.7	Confident	87.7	Confident	26 Å²	26	44.5 Å²	44.5	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-108.4	-25.5	-168	-71.9	-78.2	0	0	0	115.7	Y107 K164 R165 L191	Y107-H195 HydrophobicContact CD1-CB 3.73Å; Y107-H195 AromaticContact CD1-CG 3.72Å; Y107-H195 AromaticContact CD1-ND1 3.72Å; Y107-H195 HydrophobicContact CD2-CB 3.93Å; Y107-H195 HydrophobicContact CE1-CB 3.48Å; Y107-H195 VanDerWaalsContact CE1-CB 3.48Å; Y107-H195 AromaticContact CE1-CG 3.74Å; Y107-H195 AromaticContact CE1-ND1 3.6Å; Y107-H195 HydrophobicContact CE2-CB 3.75Å; Y107-H195 HydrophobicContact CG-CB 3.99Å; Y107-H195 PolarHBondContact OH-O 2.85Å; K164-H195 WeakPolarHBondContact CA-O 3.24Å; K164-H195 PolarHBondContact N-O 3.49Å; R165-H195 PolarHBondContact N-O 3.3Å; L191-H195 VanDerWaalsContact CD1-CD2 3.49Å; L191-H195 WeakPolarHBondContact CD1-CD2 3.43Å; L191-H195 WeakPolarHBondContact O-CB 3.43Å; L191-H195 PolarHBondContact O-N 3.43Å
196	V	88.9	Confident	87.7	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.1	-178.7	-177.8	0	0	0	0	109.9	L100 Y107 I168 I192 I198	L100-V196 HydrophobicContact CD2-CG1 4.2Å; Y107-V196 HydrophobicContact CD2-CG2 4.42Å; Y107-V196 HydrophobicContact CE2-CG2 3.89Å; I168-V196 HydrophobicContact CB-CG1 4.41Å; I168-V196 HydrophobicContact CD1-CG1 3.95Å; I168-V196 HydrophobicContact CG1-CG1 4.31Å; I192-V196 HydrophobicContact CG2-CB 4.23Å; I192-V196 WeakPolarHBondContact O-CA 3.4Å; I192-V196 WeakPolarHBondContact O-CB 3.47Å; I192-V196 PolarHBondContact O-N 3.02Å; V196-I198 HydrophobicContact CG1-CG1 4.17Å
197	A	90.5	Very high	87.8	Confident	24 Å²	24	46 Å²	46	20%	0.198	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.3	169.5	0	0	0	0	0	109	K164 T166 L167 I168	K164-A197 HydrophobicContact CB-CB 4.3Å; T166-A197 PolarHBondContact O-N 3.11Å; L167-A197 CarbonylContact C-O 3.53Å; L167-A197 WeakPolarHBondContact CA-O 3.23Å; L167-A197 HydrophobicContact CD1-CB 3.73Å; I168-A197 PolarHBondContact N-O 2.98Å
198	I	91.6	Very high	87.9	Confident	61 Å²	61	48.5 Å²	48.5	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.7	176.3	-61.2	174.8	0	0	0	108.4	I168 L170 L178 I192 V196 L200	I168-I198 WeakPolarHBondContact O-CA 3.41Å; L170-I198 HydrophobicContact CB-CG2 4.18Å; L170-I198 HydrophobicContact CD1-CD1 4.18Å; L170-I198 HydrophobicContact CD1-CG1 4.49Å; L170-I198 HydrophobicContact CD1-CG2 3.79Å; L170-I198 HydrophobicContact CG-CG2 4.03Å; L178-I198 HydrophobicContact CD2-CD1 4.01Å; I192-I198 HydrophobicContact CG2-CD1 3.98Å; V196-I198 HydrophobicContact CG1-CG1 4.17Å; I198-L200 HydrophobicContact CG2-CD2 4.09Å
199	E	92	Very high	87.9	Confident	53 Å²	53	52.9 Å²	52.9	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.4	171.6	177	177.5	-172.1	0	0	109.7	L167 I168 R169 L170 R224	L167-E199 HydrophobicContact CD1-CB 4.07Å; I168-E199 PolarHBondContact O-N 3.5Å; R169-E199 VanDerWaalsContact CA-O 3.24Å; R169-E199 WeakPolarHBondContact CA-O 3.46Å; R169-E199 HydrophobicContact CG-CB 4.12Å; R169-E199 HydrophobicContact CG-CG 4.46Å; L170-E199 PolarHBondContact N-O 3.43Å; E199-R224 WeakPolarHBondContact OE1-CB 3.21Å; E199-R224 PolarHBondContact OE2-N 2.76Å
200	L	92.3	Very high	87.9	Confident	66 Å²	66	54.3 Å²	54.3	35%	0.346	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	141.1	-176.9	-60.7	174.2	0	0	0	112	L170 E175 I198	L170-L200 CarbonylContact O-C 3.59Å; L170-L200 WeakPolarHBondContact O-CA 3.35Å; E175-L200 HydrophobicContact CB-CD2 3.76Å; E175-L200 HydrophobicContact CG-CD2 3.82Å; E175-L200 WeakPolarHBondContact OE1-CD1 3.37Å; E175-L200 WeakPolarHBondContact OE2-CD1 3.35Å; E175-L200 WeakPolarHBondContact OE2-CD2 3.44Å; I198-L200 HydrophobicContact CG2-CD2 4.09Å
201	T	88.5	Confident	88	Confident	14 Å²	14	52.5 Å²	52.5	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.8	174.7	65.7	0	0	0	0	110.6	R169 L170 R172	R169-T201 HydrophobicContact CB-CG2 4.2Å; L170-T201 PolarHBondContact O-N 3.02Å; L170-T201 PolarHBondContact O-OG1 3.47Å; R172-T201 PolarHBondContact N-O 2.83Å
202	E	84.9	Confident	88.1	Confident	136 Å²	136	56.5 Å²	56.5	64%	0.636	31%	0.307	S	S	*	.	S	Bend	trans	-78.9	-11.1	174.9	-59.9	-60.9	160.7	0	0	112.6	R172	R172-E202 IonicContact CZ-OE1 3.3Å; R172-E202 VanDerWaalsContact CZ-OE1 3.3Å; R172-E202 IonicContact CZ-OE2 3.14Å; R172-E202 VanDerWaalsContact NE-CD 3.29Å; R172-E202 IonicContact NE-OE1 3.1Å; R172-E202 PolarHBondContact NE-OE1 3.26Å; R172-E202 VanDerWaalsContact NE-OE1 3.1Å; R172-E202 IonicContact NE-OE2 2.85Å; R172-E202 PolarHBondContact NE-OE2 2.8Å; R172-E202 IonicContact NH2-OE1 2.68Å; R172-E202 PolarHBondContact NH2-OE1 2.71Å; R172-E202 IonicContact NH2-OE2 3.77Å
203	N	87.9	Confident	88	Confident	70 Å²	70	57.5 Å²	57.5	37%	0.374	31%	0.313	S	S	.	.	S	Bend	trans	-72.5	154.7	178.1	-70.6	5.1	0	0	0	109.9	S171	S171-N203 WeakPolarHBondContact CB-O 3.32Å
204	P	89.3	Confident	88	Confident	90 Å²	90	51.6 Å²	51.6	58%	0.584	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-58.3	157.7	169.2	27	-35	0	0	0	110.8	R206	P204-R206 PolarHBondContact O-N 3.16Å
205	A	89.5	Confident	88	Confident	13 Å²	13	50.2 Å²	50.2	11%	0.107	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-52.7	134.2	178.1	0	0	0	0	0	111.4	R92 S171	R92-A205 HydrophobicContact CG-CB 3.76Å; R92-A205 WeakPolarHBondContact O-CB 3.46Å; S171-A205 WeakPolarHBondContact OG-CB 3.1Å
206	R	90	Very high	87.9	Confident	38 Å²	38	49 Å²	49	14%	0.143	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70.4	145.9	-174.5	-68.8	172.2	-69.3	164.8	2.5	111.9	E96 R169 P204 A210 M211 E221	E96-R206 HydrophobicContact CG-CB 4.27Å; E96-R206 WeakPolarHBondContact OE1-CB 3.24Å; E96-R206 WeakPolarHBondContact OE1-CG 3.17Å; E96-R206 IonicContact OE1-CZ 3.42Å; E96-R206 PolarHBondContact OE1-N 3.46Å; E96-R206 IonicContact OE1-NE 3.8Å; E96-R206 PolarHBondContact OE1-NE 3.36Å; E96-R206 IonicContact OE1-NH2 3.31Å; R169-R206 PolarHBondContact O-NH2 2.82Å; P204-R206 PolarHBondContact O-N 3.16Å; R206-A210 HydrophobicContact CB-CB 4.22Å; R206-M211 HydrophobicContact CB-CG 4.1Å; R206-M211 HydrophobicContact CB-SD 3.9Å; R206-M211 PolarHBondContact NE-SD 3.49Å; R206-M211 VanDerWaalsContact NE-SD 3.39Å; R206-M211 PolarHBondContact NH2-SD 3.4Å; R206-M211 VanDerWaalsContact NH2-SD 3.35Å; R206-E221 IonicContact CZ-OE1 3.59Å; R206-E221 IonicContact CZ-OE2 3.96Å; R206-E221 VanDerWaalsContact NH1-CD 3.31Å; R206-E221 IonicContact NH1-OE1 3.73Å; R206-E221 PolarHBondContact NH1-OE1 2.86Å; R206-E221 VanDerWaalsContact NH1-OE1 3.12Å; R206-E221 IonicContact NH1-OE2 3.93Å; R206-E221 PolarHBondContact NH1-OE2 3.21Å; R206-E221 IonicContact NH2-OE1 2.67Å; R206-E221 PolarHBondContact NH2-OE1 3.38Å; R206-E221 IonicContact NH2-OE2 3.36Å
207	T	89.5	Confident	87.6	Confident	87 Å²	87	48.9 Å²	48.9	53%	0.534	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-68.2	160.9	174.8	63.3	0	0	0	0	111.2	E209 A210 M211	T207-E209 PolarHBondContact O-N 2.82Å; T207-A210 PolarHBondContact O-N 3.05Å; T207-A210 WeakPolarHBondContact OG1-CB 3.18Å; T207-A210 PolarHBondContact OG1-N 3.3Å; T207-M211 WeakPolarHBondContact O-CG 3.36Å; T207-M211 PolarHBondContact O-N 3.01Å
208	S	88.2	Confident	87.1	Confident	79 Å²	79	48 Å²	48	55%	0.552	26%	0.262	S	S	*	.	H	α-helix	trans	-57	-37.3	175.3	-165	0	0	0	0	112.6	M211 E212	S208-M211 PolarHBondContact O-N 3.02Å; S208-E212 WeakPolarHBondContact O-CB 3.33Å; S208-E212 PolarHBondContact O-N 3.17Å
209	E	86.2	Confident	86.7	Confident	99 Å²	99	46.1 Å²	46.1	46%	0.463	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-43.6	177.8	-175.2	-175.8	-179.6	0	0	112	T207 M211 E212 N213 S622	T207-E209 PolarHBondContact O-N 2.82Å; E209-M211 VanDerWaalsContact C-N 3.27Å; E209-M211 PolarHBondContact O-N 3Å; E209-E212 WeakPolarHBondContact O-CB 3.49Å; E209-E212 PolarHBondContact O-N 2.98Å; E209-N213 PolarHBondContact O-N 3.46Å; E209-N213 PolarHBondContact O-ND2 3.08Å; E209-S622 WeakPolarHBondContact OE1-CB 3.33Å; E209-S622 PolarHBondContact OE1-OG 3.14Å
210	A	86.9	Confident	86.5	Confident	36 Å²	36	44.2 Å²	44.2	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-37.3	175.8	0	0	0	0	0	111.5	R206 T207	R206-A210 HydrophobicContact CB-CB 4.22Å; T207-A210 PolarHBondContact O-N 3.05Å; T207-A210 WeakPolarHBondContact OG1-CB 3.18Å; T207-A210 PolarHBondContact OG1-N 3.3Å
211	M	87	Confident	86.3	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-68.6	-38.5	174.4	-69.7	-54	-66	0	0	112.5	P95 E96 C99 R206 T207 S208 E209 N213 V214 R215	P95-M211 HydrophobicContact CB-CB 4.45Å; P95-M211 HydrophobicContact CB-CG 3.88Å; E96-M211 HydrophobicContact CG-SD 4.14Å; C99-M211 HydrophobicContact CB-CE 4.43Å; C99-M211 WeakPolarHBondContact SG-CE 3.37Å; R206-M211 HydrophobicContact CB-CG 4.1Å; R206-M211 HydrophobicContact CB-SD 3.9Å; R206-M211 PolarHBondContact NE-SD 3.49Å; R206-M211 VanDerWaalsContact NE-SD 3.39Å; R206-M211 PolarHBondContact NH2-SD 3.4Å; R206-M211 VanDerWaalsContact NH2-SD 3.35Å; T207-M211 WeakPolarHBondContact O-CG 3.36Å; T207-M211 PolarHBondContact O-N 3.01Å; S208-M211 PolarHBondContact O-N 3.02Å; E209-M211 VanDerWaalsContact C-N 3.27Å; E209-M211 PolarHBondContact O-N 3Å; M211-N213 PolarHBondContact O-N 2.95Å; M211-V214 PolarHBondContact O-N 3.12Å; M211-V214 VanDerWaalsContact O-N 3.08Å; M211-R215 WeakPolarHBondContact O-CD 3.41Å; M211-R215 VanDerWaalsContact O-CG 3.22Å; M211-R215 WeakPolarHBondContact O-CG 3.27Å; M211-R215 PolarHBondContact O-N 2.57Å
212	E	86	Confident	86.4	Confident	86 Å²	86	41.3 Å²	41.3	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-58.2	-38.5	178.1	-173.4	51.3	-137.7	0	0	111.6	S208 E209 V214 K533	S208-E212 WeakPolarHBondContact O-CB 3.33Å; S208-E212 PolarHBondContact O-N 3.17Å; E209-E212 WeakPolarHBondContact O-CB 3.49Å; E209-E212 PolarHBondContact O-N 2.98Å; E212-V214 PolarHBondContact O-N 2.87Å; E212-K533 PolarHBondContact O-NZ 3.25Å; E212-K533 WeakPolarHBondContact OE1-CE 3.31Å; E212-K533 IonicContact OE1-NZ 3.62Å; E212-K533 PolarHBondContact OE1-NZ 3.3Å
213	N	85.8	Confident	86.5	Confident	25 Å²	25	37.2 Å²	37.2	13%	0.134	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.6	179.2	-66	-44.1	0	0	0	114.7	E209 M211 G531 M567 P621	E209-N213 PolarHBondContact O-N 3.46Å; E209-N213 PolarHBondContact O-ND2 3.08Å; M211-N213 PolarHBondContact O-N 2.95Å; N213-G531 VanDerWaalsContact O-CA 3.24Å; N213-G531 WeakPolarHBondContact O-CA 3.36Å; N213-M567 HydrophobicContact CB-CE 4.38Å; N213-M567 HydrophobicContact CB-SD 4.24Å; N213-M567 WeakPolarHBondContact O-CE 3.31Å; N213-P621 WeakPolarHBondContact ND2-CD 3.23Å
214	V	86.3	Confident	86.4	Confident	24 Å²	24	39.4 Å²	39.4	15%	0.145	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-27.2	-176.1	-168.2	0	0	0	0	112.5	M211 E212 E221	M211-V214 PolarHBondContact O-N 3.12Å; M211-V214 VanDerWaalsContact O-N 3.08Å; E212-V214 PolarHBondContact O-N 2.87Å; V214-E221 HydrophobicContact CG1-CB 3.91Å; V214-E221 HydrophobicContact CG1-CG 3.61Å; V214-E221 WeakPolarHBondContact CG1-OE2 3.29Å
215	R	83.7	Confident	86.3	Confident	20 Å²	20	38.6 Å²	38.6	8%	0.075	22%	0.221	C	C	.	.			trans	-66.1	162.3	-178.4	-74.3	167.3	176.3	-153.2	-1.2	112.7	P95 C99 E133 M211 G531 K533	P95-R215 PolarHBondContact O-NH2 3.28Å; C99-R215 VanDerWaalsContact SG-CZ 3.51Å; C99-R215 PolarHBondContact SG-NE 2.91Å; C99-R215 PolarHBondContact SG-NH2 2.68Å; C99-R215 VanDerWaalsContact SG-NH2 3.43Å; E133-R215 IonicContact OE1-CZ 2.65Å; E133-R215 IonicContact OE1-NH1 2.96Å; E133-R215 PolarHBondContact OE1-NH1 3.07Å; E133-R215 IonicContact OE2-NH1 3.88Å; E133-R215 PolarHBondContact OE2-NH1 3.28Å; M211-R215 WeakPolarHBondContact O-CD 3.41Å; M211-R215 VanDerWaalsContact O-CG 3.22Å; M211-R215 WeakPolarHBondContact O-CG 3.27Å; M211-R215 PolarHBondContact O-N 2.57Å; R215-G531 CarbonylContact O-C 3.59Å; R215-G531 WeakPolarHBondContact O-CA 3.29Å; R215-K533 VanDerWaalsContact C-NZ 3.35Å; R215-K533 WeakPolarHBondContact O-CE 3.36Å; R215-K533 PolarHBondContact O-NZ 3.3Å
216	G	80.6	Confident	86.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.01	22%	0.224	C	C	.	.			trans	123.8	-27.2	168.1	0	0	0	0	0	114.1	R513 H532	G216-R513 WeakPolarHBondContact O-CD 3.34Å; G216-R513 PolarHBondContact O-NH1 2.72Å; G216-H532 CarbonylContact C-O 3.58Å; G216-H532 WeakPolarHBondContact CA-O 3.37Å
217	C	82.1	Confident	85.7	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.027	23%	0.227	C	C	.	.			trans	-83.7	145.4	176.4	-176.9	0	0	0	0	112.3	L219 G220 D512 T514 T530	C217-L219 VanDerWaalsContact C-N 3.33Å; C217-L219 PolarHBondContact O-N 2.96Å; C217-L219 PolarHBondContact SG-N 2.94Å; C217-L219 VanDerWaalsContact SG-N 3.36Å; C217-G220 PolarHBondContact O-N 3.38Å; C217-D512 PolarHBondContact SG-O 2.82Å; C217-T514 HydrophobicContact CB-CG2 4.17Å; C217-T514 WeakPolarHBondContact SG-CG2 3.24Å; C217-T530 HydrophobicContact CB-CG2 4.23Å
218	L	81	Confident	85.3	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-36.8	174	-156.5	68.4	0	0	0	113.5	F102 Y139 L157 L159 F160 G220 I491	F102-L218 HydrophobicContact CE1-CD1 3.85Å; F102-L218 HydrophobicContact CZ-CD1 4.26Å; Y139-L218 HydrophobicContact CD1-CD1 4.45Å; Y139-L218 HydrophobicContact CD2-CD1 4.11Å; Y139-L218 HydrophobicContact CE1-CD1 4.39Å; Y139-L218 HydrophobicContact CE2-CD1 4.01Å; Y139-L218 HydrophobicContact CG-CD1 4.32Å; L157-L218 HydrophobicContact CD2-CD1 4.33Å; L157-L218 HydrophobicContact CD2-CD2 3.93Å; L159-L218 HydrophobicContact CD2-CD2 4.38Å; F160-L218 HydrophobicContact CD2-CD2 4.39Å; F160-L218 HydrophobicContact CE1-CG 4.47Å; F160-L218 HydrophobicContact CE2-CD1 3.42Å; F160-L218 VanDerWaalsContact CE2-CD1 3.42Å; F160-L218 HydrophobicContact CE2-CD2 3.64Å; F160-L218 HydrophobicContact CE2-CG 3.6Å; F160-L218 HydrophobicContact CZ-CD1 3.28Å; F160-L218 HydrophobicContact CZ-CD2 4.05Å; F160-L218 HydrophobicContact CZ-CG 3.48Å; F160-L218 VanDerWaalsContact CZ-CG 3.48Å; L218-G220 PolarHBondContact O-N 3.01Å; L218-I491 HydrophobicContact CB-CD1 4.23Å; L218-I491 HydrophobicContact CD2-CD1 3.93Å
219	L	83.1	Confident	85.3	Confident	21 Å²	21	41.6 Å²	41.6	11%	0.11	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.5	179.7	-65.5	166.8	0	0	0	112.6	L159 T166 L167 C217 I491	L159-L219 HydrophobicContact CD1-CD2 3.84Å; L159-L219 HydrophobicContact CD2-CD2 3.75Å; L159-L219 HydrophobicContact CG-CD2 4.42Å; T166-L219 WeakPolarHBondContact CA-O 3.38Å; L167-L219 PolarHBondContact N-O 3.49Å; C217-L219 VanDerWaalsContact C-N 3.33Å; C217-L219 PolarHBondContact O-N 2.96Å; C217-L219 PolarHBondContact SG-N 2.94Å; C217-L219 VanDerWaalsContact SG-N 3.36Å; L219-I491 HydrophobicContact CD1-CD1 4.36Å; L219-I491 HydrophobicContact CD1-CG2 4.47Å; L219-I491 HydrophobicContact CD2-CD1 4.36Å; L219-I491 HydrophobicContact CG-CD1 4.09Å
220	G	86.9	Confident	85.3	Confident	14 Å²	14	44.8 Å²	44.8	14%	0.144	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	75.7	-134.6	-172.8	0	0	0	0	0	111.8	L167 C217 L218 T530	L167-G220 CarbonylContact O-C 3.58Å; L167-G220 WeakPolarHBondContact O-CA 3.44Å; C217-G220 PolarHBondContact O-N 3.38Å; L218-G220 PolarHBondContact O-N 3.01Å; G220-T530 WeakPolarHBondContact O-CG2 3.18Å
221	E	89.6	Confident	85.5	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.047	23%	0.226	C	C	.	.	S	Bend	trans	-91.9	159.4	-171.6	-50.6	-167.2	-140.3	0	0	112.9	L167 R169 R206 V214	L167-E221 WeakPolarHBondContact CD2-O 3.13Å; L167-E221 PolarHBondContact O-N 2.89Å; R169-E221 IonicContact CZ-OE2 3.69Å; R169-E221 PolarHBondContact N-OE1 2.98Å; R169-E221 IonicContact NE-OE2 3.7Å; R169-E221 PolarHBondContact NE-OE2 2.78Å; R169-E221 IonicContact NH2-OE2 3.21Å; R169-E221 PolarHBondContact NH2-OE2 2.79Å; R206-E221 IonicContact CZ-OE1 3.59Å; R206-E221 IonicContact CZ-OE2 3.96Å; R206-E221 VanDerWaalsContact NH1-CD 3.31Å; R206-E221 IonicContact NH1-OE1 3.73Å; R206-E221 PolarHBondContact NH1-OE1 2.86Å; R206-E221 VanDerWaalsContact NH1-OE1 3.12Å; R206-E221 IonicContact NH1-OE2 3.93Å; R206-E221 PolarHBondContact NH1-OE2 3.21Å; R206-E221 IonicContact NH2-OE1 2.67Å; R206-E221 PolarHBondContact NH2-OE1 3.38Å; R206-E221 IonicContact NH2-OE2 3.36Å; V214-E221 HydrophobicContact CG1-CB 3.91Å; V214-E221 HydrophobicContact CG1-CG 3.61Å; V214-E221 WeakPolarHBondContact CG1-OE2 3.29Å
222	A	89	Confident	85.7	Confident	8 Å²	8	45.6 Å²	45.6	7%	0.066	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-69.5	132.4	173.1	0	0	0	0	0	112.4	R224 L528 T530	A222-R224 PolarHBondContact O-N 2.97Å; A222-L528 HydrophobicContact CB-CB 4.04Å; A222-L528 HydrophobicContact CB-CD2 4.26Å; A222-L528 HydrophobicContact CB-CG 4.05Å; A222-L528 WeakPolarHBondContact CB-O 3.14Å; A222-T530 HydrophobicContact CB-CG2 4.42Å; A222-T530 PolarHBondContact N-OG1 2.91Å
223	P	88.8	Confident	85.8	Confident	50 Å²	50	41.8 Å²	41.8	33%	0.325	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-61.1	133.6	175.6	-19.3	27.8	0	0	0	112.5	L167 A225 L226	L167-P223 HydrophobicContact CD2-CB 4.03Å; L167-P223 HydrophobicContact CD2-CG 3.93Å; P223-A225 VanDerWaalsContact C-N 3.26Å; P223-A225 PolarHBondContact O-N 2.76Å; P223-L226 WeakPolarHBondContact O-CB 3.38Å; P223-L226 PolarHBondContact O-N 3.1Å; P223-L226 VanDerWaalsContact O-N 3.1Å
224	R	85.3	Confident	85.9	Confident	117 Å²	117	40.6 Å²	40.6	44%	0.442	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-34	-178	-166	-177.7	178.4	136.3	1.2	113.1	E199 A222 L226 N227 K228	E199-R224 WeakPolarHBondContact OE1-CB 3.21Å; E199-R224 PolarHBondContact OE2-N 2.76Å; A222-R224 PolarHBondContact O-N 2.97Å; R224-L226 PolarHBondContact O-N 3.4Å; R224-N227 PolarHBondContact O-N 3.03Å; R224-K228 WeakPolarHBondContact O-CG 3.49Å; R224-K228 PolarHBondContact O-N 3.21Å
225	A	86.4	Confident	86.1	Confident	72 Å²	72	40.5 Å²	40.5	60%	0.595	21%	0.21	S	C	*	.	H	α-helix	trans	-58.4	-35.3	178.4	0	0	0	0	0	112	P223 K228	P223-A225 VanDerWaalsContact C-N 3.26Å; P223-A225 PolarHBondContact O-N 2.76Å; A225-K228 PolarHBondContact O-N 3.29Å
226	L	85.7	Confident	86.1	Confident	32 Å²	32	41 Å²	41	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-47.6	179.7	-167.9	61.7	0	0	0	111	P223 R224 K228 T229 C525 V526 R527 L528	P223-L226 WeakPolarHBondContact O-CB 3.38Å; P223-L226 PolarHBondContact O-N 3.1Å; P223-L226 VanDerWaalsContact O-N 3.1Å; R224-L226 PolarHBondContact O-N 3.4Å; L226-K228 PolarHBondContact O-N 2.94Å; L226-T229 VanDerWaalsContact O-CB 3.29Å; L226-T229 WeakPolarHBondContact O-CB 3.4Å; L226-T229 PolarHBondContact O-N 2.74Å; L226-T229 VanDerWaalsContact O-N 3.1Å; L226-T229 PolarHBondContact O-OG1 2.77Å; L226-T229 VanDerWaalsContact O-OG1 3.05Å; L226-C525 WeakPolarHBondContact CD1-O 3.49Å; L226-V526 VanDerWaalsContact O-O 3.04Å; L226-R527 PolarHBondContact O-NH1 3.37Å; L226-R527 VanDerWaalsContact O-NH1 3.11Å; L226-L528 HydrophobicContact CD2-CB 3.44Å; L226-L528 VanDerWaalsContact CD2-CB 3.44Å
227	N	81.5	Confident	85.6	Confident	38 Å²	38	46.4 Å²	46.4	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-69.1	-18.9	-179.9	-68.9	-3.9	0	0	0	113.6	R224 T229 R527 G565	R224-N227 PolarHBondContact O-N 3.03Å; N227-T229 VanDerWaalsContact C-N 3.32Å; N227-R527 PolarHBondContact O-NH2 2.89Å; N227-G565 PolarHBondContact ND2-O 3.2Å; N227-G565 VanDerWaalsContact ND2-O 3.08Å
228	K	81.9	Confident	84.6	Confident	151 Å²	151	48.5 Å²	48.5	66%	0.657	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.8	172.7	-71.8	177.7	-179.3	178.6	0	113.7	R224 A225 L226 K230	R224-K228 WeakPolarHBondContact O-CG 3.49Å; R224-K228 PolarHBondContact O-N 3.21Å; A225-K228 PolarHBondContact O-N 3.29Å; L226-K228 PolarHBondContact O-N 2.94Å; K228-K230 PolarHBondContact O-N 2.99Å
229	T	87	Confident	83.5	Confident	60 Å²	60	49.3 Å²	49.3	37%	0.368	25%	0.251	S	S	.	.	S	Bend	trans	-63.2	132.4	-179.9	-53.7	0	0	0	0	109.8	L226 N227 V231 V526 R527	L226-T229 VanDerWaalsContact O-CB 3.29Å; L226-T229 WeakPolarHBondContact O-CB 3.4Å; L226-T229 PolarHBondContact O-N 2.74Å; L226-T229 VanDerWaalsContact O-N 3.1Å; L226-T229 PolarHBondContact O-OG1 2.77Å; L226-T229 VanDerWaalsContact O-OG1 3.05Å; N227-T229 VanDerWaalsContact C-N 3.32Å; T229-V231 PolarHBondContact O-N 2.71Å; T229-V526 HydrophobicContact CG2-CB 4.46Å; T229-V526 HydrophobicContact CG2-CG1 4.19Å; T229-R527 VanDerWaalsContact O-CZ 3.27Å; T229-R527 PolarHBondContact O-NH1 2.87Å; T229-R527 PolarHBondContact O-NH2 3.49Å
230	K	87.1	Confident	82	Confident	165 Å²	165	51.2 Å²	51.2	72%	0.717	26%	0.264	S	S	*	.			trans	-67.5	123.2	177.1	-173.5	177.6	179.1	180	0	110	K228	K228-K230 PolarHBondContact O-N 2.99Å
231	V	91.4	Very high	79.9	Confident	13 Å²	13	53.7 Å²	53.7	8%	0.079	28%	0.279	C	S	.	.			trans	-118.6	134.1	176.1	174	0	0	0	0	108.6	T229 S233 Y505 V526 R527 I562	T229-V231 PolarHBondContact O-N 2.71Å; V231-S233 PolarHBondContact O-N 3.44Å; V231-Y505 HydrophobicContact CG1-CD1 4.48Å; V231-Y505 HydrophobicContact CG1-CD2 4.36Å; V231-Y505 HydrophobicContact CG1-CE1 4.07Å; V231-Y505 HydrophobicContact CG1-CE2 3.92Å; V231-V526 HydrophobicContact CG2-CB 3.91Å; V231-V526 HydrophobicContact CG2-CG2 3.77Å; V231-R527 HydrophobicContact CG2-CG 4.44Å; V231-R527 VanDerWaalsContact CG2-CZ 3.44Å; V231-I562 HydrophobicContact CG1-CG2 3.74Å
232	F	91.1	Very high	77.4	Confident	42 Å²	42	56.4 Å²	56.4	18%	0.184	30%	0.299	C	S	.	.			trans	-84.6	108.4	177	-60.6	-80.3	0	0	0	110.3	N284 P286 N502 Y505	F232-N284 WeakPolarHBondContact CA-O 3.46Å; F232-N284 WeakPolarHBondContact CB-O 3.48Å; F232-P286 HydrophobicContact CB-CB 3.93Å; F232-P286 HydrophobicContact CB-CG 4.15Å; F232-P286 HydrophobicContact CD1-CB 4.32Å; F232-P286 HydrophobicContact CD2-CB 3.73Å; F232-P286 HydrophobicContact CE2-CB 4.29Å; F232-P286 HydrophobicContact CG-CB 3.76Å; F232-N502 PolarHBondContact O-ND2 3.38Å; F232-Y505 HydrophobicContact CB-CE2 4.05Å; F232-Y505 WeakPolarHBondContact CD2-OH 3.5Å; F232-Y505 PolarHBondContact N-OH 3.46Å; F232-Y505 VanDerWaalsContact N-OH 3.08Å; F232-Y505 VanDerWaalsContact O-CE2 3.31Å; F232-Y505 WeakPolarHBondContact O-CE2 3.48Å
233	S	88	Confident	74.6	Confident	5 Å²	5	61.3 Å²	61.3	4%	0.035	33%	0.333	C	S	.	.			trans	-91.7	-8.7	176	53.9	0	0	0	0	113.9	V231 N284 G545	V231-S233 PolarHBondContact O-N 3.44Å; S233-N284 PolarHBondContact N-O 2.84Å; S233-G545 VanDerWaalsContact CB-O 3.32Å; S233-G545 WeakPolarHBondContact CB-O 3.16Å; S233-G545 CarbonylContact O-C 3.59Å; S233-G545 VanDerWaalsContact O-C 3.29Å; S233-G545 WeakPolarHBondContact O-CA 3.43Å; S233-G545 VanDerWaalsContact O-O 3.08Å
234	G	88.3	Confident	72.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.347	C	S	.	.			trans	-74.2	151.2	-179.1	0	0	0	0	0	113	N284 N502	G234-N284 PolarHBondContact N-O 3.24Å; G234-N502 WeakPolarHBondContact O-CB 3.22Å; G234-N502 PolarHBondContact O-ND2 2.8Å
235	V	88.6	Confident	69.3	Low	22 Å²	22	63.2 Å²	63.2	13%	0.133	36%	0.356	C	S	.	.			trans	-109.8	148.1	177.8	-174.7	0	0	0	0	110	K237 P501	V235-K237 PolarHBondContact O-N 3.25Å; V235-P501 HydrophobicContact CG1-CB 4.18Å; V235-P501 HydrophobicContact CG2-CB 3.87Å
236	F	85	Confident	66.5	Low	31 Å²	31	68.9 Å²	68.9	14%	0.136	37%	0.37	C	S	.	.			trans	-71	117.9	175.4	-55.8	-66.7	0	0	0	110.2	L239 A285 P286 W288 F460 N502	F236-L239 HydrophobicContact CB-CD1 3.93Å; F236-L239 HydrophobicContact CB-CG 4.24Å; F236-A285 HydrophobicContact CD1-CB 4.45Å; F236-A285 HydrophobicContact CE1-CB 4.47Å; F236-P286 HydrophobicContact CE1-CG 4.44Å; F236-P286 VanDerWaalsContact CE1-O 3.27Å; F236-P286 WeakPolarHBondContact CE1-O 3.44Å; F236-P286 HydrophobicContact CZ-CG 3.88Å; F236-W288 HydrophobicContact CB-CZ3 4.43Å; F236-W288 AromaticContact CD1-CE3 3.83Å; F236-W288 HydrophobicContact CD1-CE3 3.83Å; F236-W288 HydrophobicContact CD1-CZ3 4.26Å; F236-W288 AromaticContact CD2-CE3 3.87Å; F236-W288 HydrophobicContact CD2-CE3 3.87Å; F236-W288 AromaticContact CD2-CZ3 3.55Å; F236-W288 HydrophobicContact CD2-CZ3 3.55Å; F236-W288 AromaticContact CE1-CE3 3.72Å; F236-W288 HydrophobicContact CE1-CE3 3.72Å; F236-W288 HydrophobicContact CE1-CZ3 4.4Å; F236-W288 AromaticContact CE2-CE3 3.75Å; F236-W288 HydrophobicContact CE2-CE3 3.75Å; F236-W288 AromaticContact CE2-CZ3 3.69Å; F236-W288 HydrophobicContact CE2-CZ3 3.69Å; F236-W288 AromaticContact CG-CE3 3.89Å; F236-W288 HydrophobicContact CG-CE3 3.89Å; F236-W288 AromaticContact CG-CZ3 3.83Å; F236-W288 HydrophobicContact CG-CZ3 3.83Å; F236-W288 AromaticContact CZ-CE3 3.67Å; F236-W288 HydrophobicContact CZ-CE3 3.67Å; F236-W288 HydrophobicContact CZ-CZ3 4.12Å; F236-F460 HydrophobicContact CB-CZ 4.5Å; F236-F460 AromaticContact CD2-CE2 3.65Å; F236-F460 HydrophobicContact CD2-CE2 3.65Å; F236-F460 AromaticContact CD2-CZ 3.64Å; F236-F460 HydrophobicContact CD2-CZ 3.64Å; F236-F460 AromaticContact CE2-CE2 3.99Å; F236-F460 HydrophobicContact CE2-CE2 3.99Å; F236-F460 HydrophobicContact CE2-CZ 4.41Å; F236-N502 HydrophobicContact CD2-CB 4.27Å; F236-N502 HydrophobicContact CE2-CB 3.96Å
237	K	70	Confident	63.5	Low	115 Å²	115	75 Å²	75	50%	0.5	40%	0.403	S	S	.	.			trans	-95	-19.9	-173.6	-75.9	177.5	177	159.7	0	115.3	V235 D282	V235-K237 PolarHBondContact O-N 3.25Å; K237-D282 IonicContact NZ-OD2 3.42Å; K237-D282 PolarHBondContact NZ-OD2 3.44Å
238	D	61.5	Low	60.7	Low	48 Å²	48	76.4 Å²	76.4	26%	0.257	43%	0.427	S	S	.	.			trans	-145.5	72.8	-172.1	-69.2	-61.6	0	0	0	113	S242 L279	D238-S242 PolarHBondContact O-OG 3.45Å; D238-L279 HydrophobicContact CB-CD2 3.28Å; D238-L279 HydrophobicContact CB-CG 3.92Å; D238-L279 WeakPolarHBondContact OD2-CD1 3.38Å; D238-L279 WeakPolarHBondContact OD2-CG 3.38Å
239	L	58.5	Low	58.1	Low	21 Å²	21	74.6 Å²	74.6	11%	0.11	43%	0.433	C	S	.	.			trans	-79.2	-22.4	177	-78.4	157.4	0	0	0	113.6	F236 S241 S242 W288 W300 F460	F236-L239 HydrophobicContact CB-CD1 3.93Å; F236-L239 HydrophobicContact CB-CG 4.24Å; L239-S241 VanDerWaalsContact C-N 3.29Å; L239-S241 PolarHBondContact O-N 2.73Å; L239-S242 PolarHBondContact O-N 3.45Å; L239-W288 HydrophobicContact CD1-CH2 3.88Å; L239-W288 HydrophobicContact CD1-CZ3 3.84Å; L239-W288 HydrophobicContact CD2-CD2 4.16Å; L239-W288 HydrophobicContact CD2-CE3 3.73Å; L239-W288 HydrophobicContact CD2-CH2 3.16Å; L239-W288 HydrophobicContact CD2-CZ2 3.59Å; L239-W288 HydrophobicContact CD2-CZ3 3.24Å; L239-W288 HydrophobicContact CG-CH2 4.15Å; L239-W288 HydrophobicContact CG-CZ3 4.08Å; L239-W300 HydrophobicContact CB-CH2 4.04Å; L239-W300 HydrophobicContact CB-CZ3 4Å; L239-W300 HydrophobicContact CD1-CH2 3.61Å; L239-W300 HydrophobicContact CD1-CZ2 4.48Å; L239-W300 HydrophobicContact CD1-CZ3 4.33Å; L239-W300 HydrophobicContact CG-CH2 4.45Å; L239-F460 HydrophobicContact CD1-CD1 4.17Å; L239-F460 HydrophobicContact CD1-CE1 3.25Å; L239-F460 HydrophobicContact CD1-CZ 3.8Å
240	T	51.5	Low	55	Low	61 Å²	61	80.5 Å²	80.5	37%	0.374	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.1	-174	55.5	0	0	0	0	114.1
241	S	41	Very low	51.9	Low	67 Å²	67	80.9 Å²	80.9	47%	0.469	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	0.4	-178	60.8	0	0	0	0	114.4	L239 S243 L279	L239-S241 VanDerWaalsContact C-N 3.29Å; L239-S241 PolarHBondContact O-N 2.73Å; S241-S243 PolarHBondContact O-N 3.25Å; S241-L279 WeakPolarHBondContact OG-CD2 3.49Å
242	S	37.6	Very low	48.6	Very low	67 Å²	67	87.5 Å²	87.5	47%	0.469	49%	0.494	S	S	.	.			trans	-96	77.5	-171.8	-62	0	0	0	0	111.3	D238 L239 V244	D238-S242 PolarHBondContact O-OG 3.45Å; L239-S242 PolarHBondContact O-N 3.45Å; S242-V244 PolarHBondContact O-N 3.45Å
243	S	31.5	Very low	45.3	Very low	111 Å²	111	90.3 Å²	90.3	78%	0.776	51%	0.514	S	S	*	.			trans	-67.1	80.6	140.9	46.1	0	0	0	0	106.6	S241 V245	S241-S243 PolarHBondContact O-N 3.25Å; S243-V245 PolarHBondContact O-N 3.32Å
244	V	34.3	Very low	42.1	Very low	103 Å²	103	95.9 Å²	95.9	62%	0.624	55%	0.548	S	S	*	.			trans	-67.1	94.7	171.6	-178	0	0	0	0	106.2	S242 Q246	S242-V244 PolarHBondContact O-N 3.45Å; V244-Q246 PolarHBondContact O-N 2.94Å; V244-Q246 VanDerWaalsContact O-N 3.09Å
245	V	27.9	Very low	38.9	Very low	104 Å²	104	103.3 Å²	103.3	63%	0.63	58%	0.583	S	S	*	*			trans	-38.1	116.8	160.8	-179.3	0	0	0	0	107	S243 N247	S243-V245 PolarHBondContact O-N 3.32Å; V245-N247 PolarHBondContact O-N 3.03Å
246	Q	27.3	Very low	35.8	Very low	190 Å²	190	111.3 Å²	111.3	89%	0.888	62%	0.619	S	S	*	*			trans	-55.5	87.8	165.1	-77.9	175.8	-15.3	0	0	107.7	V244 G248	V244-Q246 PolarHBondContact O-N 2.94Å; V244-Q246 VanDerWaalsContact O-N 3.09Å; Q246-G248 VanDerWaalsContact C-N 3.29Å; Q246-G248 PolarHBondContact O-N 3.28Å; Q246-G248 VanDerWaalsContact O-N 3.09Å
247	N	23.5	Very low	32.7	Very low	160 Å²	160	118.5 Å²	118.5	86%	0.856	65%	0.65	S	S	*	*			trans	-76.3	91.3	164.3	-88.4	-12	0	0	0	106.6	V245	V245-N247 PolarHBondContact O-N 3.03Å
248	G	22.5	Very low	30.5	Very low	68 Å²	68	120.5 Å²	120.5	70%	0.701	67%	0.666	S	S	*	*			trans	123	79.5	153.8	0	0	0	0	0	116.1	Q246	Q246-G248 VanDerWaalsContact C-N 3.29Å; Q246-G248 PolarHBondContact O-N 3.28Å; Q246-G248 VanDerWaalsContact O-N 3.09Å
249	S	26	Very low	28.5	Very low	113 Å²	113	122.6 Å²	122.6	79%	0.79	69%	0.685	S	S	*	*				-174.9	109.5	127.3	41.9	0	0	0	0	111.9
250	E	22.8	Very low	26.9	Very low	184 Å²	184	128.2 Å²	128.2	86%	0.86	72%	0.715	S	S	*	*			trans	43.7	96.1	140.7	-57.6	-167.7	158.9	0	0	120.1	I252	E250-I252 PolarHBondContact O-N 3.03Å
251	H	20.7	Very low	25.6	Very low	173 Å²	173	134.3 Å²	134.3	80%	0.801	74%	0.736	S	S	*	*				34.7	82.2	111.5	-127.6	-70.5	0	0	0	117.1
252	I	22.7	Very low	24.6	Very low	152 Å²	152	135.7 Å²	135.7	78%	0.779	75%	0.752	S	S	*	*			trans	-127.3	94.4	141.4	-60.3	-178.8	0	0	0	107.5	E250 T254	E250-I252 PolarHBondContact O-N 3.03Å; I252-T254 HydrophobicContact CG2-CG2 4.13Å; I252-T254 PolarHBondContact O-N 3.4Å
253	V	22.7	Very low	24.1	Very low	101 Å²	101	138.2 Å²	138.2	61%	0.612	77%	0.77	S	S	*	*			trans	-73.1	101.1	164.5	177.5	0	0	0	0	106.5	E255	V253-E255 HydrophobicContact CG1-CG 3.88Å
254	T	21.4	Very low	23.6	Very low	122 Å²	122	142.7 Å²	142.7	75%	0.748	78%	0.775	S	S	*	*			trans	-98.7	97.7	154.1	42.4	0	0	0	0	107.3	I252 E256	I252-T254 HydrophobicContact CG2-CG2 4.13Å; I252-T254 PolarHBondContact O-N 3.4Å; T254-E256 PolarHBondContact O-N 3.21Å
255	E	19.5	Very low	23.2	Very low	157 Å²	157	147.7 Å²	147.7	73%	0.734	79%	0.789	S	S	*	*			trans	-60.7	108.6	161.9	-67.2	-169.7	158	0	0	108.5	V253	V253-E255 HydrophobicContact CG1-CG 3.88Å
256	E	23.5	Very low	22.9	Very low	190 Å²	190	152.2 Å²	152.2	89%	0.888	80%	0.8	S	S	*	*			trans	-120.3	109.5	150.8	-78.1	-161.6	160.8	0	0	109.6	T254 N258	T254-E256 PolarHBondContact O-N 3.21Å; E256-N258 PolarHBondContact O-N 3.27Å
257	K	20.3	Very low	22.5	Very low	181 Å²	181	153.3 Å²	153.3	79%	0.787	80%	0.802	S	S	*	*			trans	-60.3	126.1	170.3	-66.2	167.4	179	168.7	0	108.7
258	N	23.1	Very low	22.5	Very low	157 Å²	157	152 Å²	152	84%	0.84	80%	0.799	S	S	*	*				-149.8	117.1	128.7	-108.2	-20.3	0	0	0	111.8	E256	E256-N258 PolarHBondContact O-N 3.27Å
259	S	20.5	Very low	22.4	Very low	92 Å²	92	159 Å²	159	64%	0.643	81%	0.811	S	S	*	*			trans	-58.5	134.4	164.2	44.6	0	0	0	0	110.9
260	D	23.8	Very low	22.2	Very low	140 Å²	140	157.1 Å²	157.1	75%	0.749	81%	0.808	S	S	*	*				-172	140.9	113.9	-99.9	-17.3	0	0	0	114.7
261	K	24.4	Very low	22.2	Very low	188 Å²	188	158 Å²	158	82%	0.817	81%	0.809	S	S	*	*			trans	79.6	87.6	156.4	-68.4	171.4	-175.2	171.4	0	118.7
262	A	21.6	Very low	22.2	Very low	97 Å²	97	156.5 Å²	156.5	80%	0.802	81%	0.807	S	S	*	*			trans	-45.7	126.1	152.4	0	0	0	0	0	114.1
263	S	26.4	Very low	22.3	Very low	120 Å²	120	154.6 Å²	154.6	84%	0.839	81%	0.805	S	S	*	*			trans	-117.6	105.3	152.8	51.5	0	0	0	0	109	K265	S263-K265 PolarHBondContact O-N 3.09Å
264	K	20.6	Very low	22.6	Very low	204 Å²	204	154.5 Å²	154.5	89%	0.887	81%	0.809	S	S	*	*			trans	-72	111.2	176.5	-75	172.4	175	170.3	0	109.8
265	K	25.1	Very low	22.7	Very low	209 Å²	209	155.8 Å²	155.8	91%	0.909	81%	0.811	S	S	*	*			trans	-129.7	95.5	155.7	-90.6	-177.5	178.2	173.3	0	111.1	S263	S263-K265 PolarHBondContact O-N 3.09Å
266	K	21.7	Very low	23.2	Very low	199 Å²	199	155.5 Å²	155.5	87%	0.865	81%	0.814	S	S	*	*			trans	26.5	97.9	148	-124.2	172.3	-179.2	176.7	0	117.2	T268	K266-T268 PolarHBondContact O-N 3.33Å; K266-T268 VanDerWaalsContact O-N 3.12Å
267	K	20.5	Very low	23.5	Very low	213 Å²	213	155.5 Å²	155.5	93%	0.926	81%	0.811	S	S	*	*			trans	-61.7	101.2	160.5	-77.6	179	172	178.6	0	110.1
268	T	22	Very low	24	Very low	132 Å²	132	156.8 Å²	156.8	81%	0.81	82%	0.817	S	S	*	*			trans	-79.1	123	157.9	35.1	0	0	0	0	108.1	K266 G270	K266-T268 PolarHBondContact O-N 3.33Å; K266-T268 VanDerWaalsContact O-N 3.12Å; T268-G270 PolarHBondContact O-N 2.93Å
269	K	21.3	Very low	25	Very low	216 Å²	216	153.6 Å²	153.6	94%	0.939	80%	0.799	S	S	*	*			trans	-62.7	91.2	176.4	-74.1	178	172.1	-179.7	0	109.9
270	G	22.3	Very low	26.5	Very low	72 Å²	72	158 Å²	158	74%	0.742	81%	0.806	S	S	*	*			trans	-86.1	123.2	166.9	0	0	0	0	0	109.7	T268	T268-G270 PolarHBondContact O-N 2.93Å
271	K	21.4	Very low	28.7	Very low	202 Å²	202	156.6 Å²	156.6	88%	0.878	80%	0.803	S	S	*	*			trans	-46.5	139.1	178.9	-75.1	169.9	169.7	174	0	112.7
272	D	20.7	Very low	31.3	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	77%	0.768	S	S	*	*			trans	-44.8	122.8	174	-60.8	-58.7	0	0	0	112.1	S274	D272-S274 PolarHBondContact O-N 2.98Å
273	P	25.8	Very low	34.1	Very low	112 Å²	112	149.3 Å²	149.3	73%	0.727	77%	0.766	S	S	*	*			trans	-82.6	59.1	168.1	35.4	-31.1	0	0	0	108.5	N275	P273-N275 PolarHBondContact O-N 3.31Å; P273-N275 VanDerWaalsContact O-N 3.14Å
274	S	28.2	Very low	37.1	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	21.9	175.6	69.6	0	0	0	0	113	D272	D272-S274 PolarHBondContact O-N 2.98Å
275	N	24.5	Very low	40.4	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	32.4	178.3	-83.5	-29.4	0	0	0	112.4	P273 K277	P273-N275 PolarHBondContact O-N 3.31Å; P273-N275 VanDerWaalsContact O-N 3.14Å; N275-K277 PolarHBondContact O-N 3.32Å
276	L	30.6	Very low	43.6	Very low	152 Å²	152	129.1 Å²	129.1	80%	0.796	67%	0.671	S	S	*	*			trans	-64.8	93	154.8	-113.8	75.8	0	0	0	107	K278	L276-K278 PolarHBondContact O-N 3.34Å
277	K	29.2	Very low	46.8	Very low	189 Å²	189	122.8 Å²	122.8	82%	0.822	65%	0.651	S	S	*	*			trans	-44.8	118	166.5	-74.1	178.1	175.7	176.4	0	106.6	N275 L279	N275-K277 PolarHBondContact O-N 3.32Å; K277-L279 PolarHBondContact O-N 3.07Å
278	K	31.2	Very low	49.9	Very low	209 Å²	209	116.7 Å²	116.7	91%	0.909	62%	0.622	S	S	*	*			trans	-42.8	111.2	177.5	-75.4	-179.2	176.4	-179.8	0	108.2	L276 K280	L276-K278 PolarHBondContact O-N 3.34Å; K278-K280 PolarHBondContact O-N 3.3Å
279	L	42.4	Very low	53.1	Low	90 Å²	90	116.9 Å²	116.9	47%	0.471	62%	0.618	S	S	.	*			trans	-62.3	131.8	-168.9	-162.6	61.4	0	0	0	108.4	D238 S241 K277 T281	D238-L279 HydrophobicContact CB-CD2 3.28Å; D238-L279 HydrophobicContact CB-CG 3.92Å; D238-L279 WeakPolarHBondContact OD2-CD1 3.38Å; D238-L279 WeakPolarHBondContact OD2-CG 3.38Å; S241-L279 WeakPolarHBondContact OG-CD2 3.49Å; K277-L279 PolarHBondContact O-N 3.07Å; L279-T281 VanDerWaalsContact C-N 3.28Å; L279-T281 PolarHBondContact O-N 2.88Å
280	K	51.9	Low	56.5	Low	184 Å²	184	108.6 Å²	108.6	80%	0.8	58%	0.581	S	S	*	*			trans	-78.3	78.4	-167	-166.2	178.5	-177.9	179.7	0	109.5	K278	K278-K280 PolarHBondContact O-N 3.3Å
281	T	70.2	Confident	59.8	Low	111 Å²	111	105.4 Å²	105.4	68%	0.681	55%	0.547	S	S	*	.			trans	-58.7	139.4	169.1	55.4	0	0	0	0	109	L279 P283	L279-T281 VanDerWaalsContact C-N 3.28Å; L279-T281 PolarHBondContact O-N 2.88Å; T281-P283 WeakPolarHBondContact O-CD 3.39Å
282	D	79.1	Confident	63.1	Low	16 Å²	16	100.7 Å²	100.7	9%	0.086	54%	0.536	C	S	.	.			trans	-68.2	119.2	175.7	-163.4	-48.5	0	0	0	108.4	K237 N284 A285	K237-D282 IonicContact NZ-OD2 3.42Å; K237-D282 PolarHBondContact NZ-OD2 3.44Å; D282-N284 PolarHBondContact O-N 3.33Å; D282-N284 VanDerWaalsContact O-N 3.11Å; D282-N284 PolarHBondContact OD1-N 3.4Å; D282-A285 HydrophobicContact CB-CB 4.13Å; D282-A285 WeakPolarHBondContact O-CB 3.37Å; D282-A285 PolarHBondContact O-N 2.91Å
283	P	81.8	Confident	66.4	Low	116 Å²	116	95.2 Å²	95.2	75%	0.753	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	-177.2	26.9	-35.7	0	0	0	112.9	T281	T281-P283 WeakPolarHBondContact O-CD 3.39Å
284	N	88.6	Confident	69.2	Low	83 Å²	83	92.4 Å²	92.4	44%	0.444	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.9	178.5	-68.4	10.4	0	0	0	112.7	F232 S233 G234 D282	F232-N284 WeakPolarHBondContact CA-O 3.46Å; F232-N284 WeakPolarHBondContact CB-O 3.48Å; S233-N284 PolarHBondContact N-O 2.84Å; G234-N284 PolarHBondContact N-O 3.24Å; D282-N284 PolarHBondContact O-N 3.33Å; D282-N284 VanDerWaalsContact O-N 3.11Å; D282-N284 PolarHBondContact OD1-N 3.4Å
285	A	89.8	Confident	71.8	Confident	20 Å²	20	95.6 Å²	95.6	17%	0.165	50%	0.498	C	S	.	.	S	Bend	trans	-73.3	146.8	174.2	0	0	0	0	0	110.9	F236 D282	F236-A285 HydrophobicContact CD1-CB 4.45Å; F236-A285 HydrophobicContact CE1-CB 4.47Å; D282-A285 HydrophobicContact CB-CB 4.13Å; D282-A285 WeakPolarHBondContact O-CB 3.37Å; D282-A285 PolarHBondContact O-N 2.91Å
286	P	91.9	Very high	74.6	Confident	5 Å²	5	90 Å²	90	3%	0.032	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-67.7	160.8	172.9	27.9	-29.9	0	0	0	110.9	F232 F236 N502 N504	F232-P286 HydrophobicContact CB-CB 3.93Å; F232-P286 HydrophobicContact CB-CG 4.15Å; F232-P286 HydrophobicContact CD1-CB 4.32Å; F232-P286 HydrophobicContact CD2-CB 3.73Å; F232-P286 HydrophobicContact CE2-CB 4.29Å; F232-P286 HydrophobicContact CG-CB 3.76Å; F236-P286 HydrophobicContact CE1-CG 4.44Å; F236-P286 VanDerWaalsContact CE1-O 3.27Å; F236-P286 WeakPolarHBondContact CE1-O 3.44Å; F236-P286 HydrophobicContact CZ-CG 3.88Å; P286-N502 WeakPolarHBondContact CD-ND2 3.2Å; P286-N502 HydrophobicContact CG-CB 4.17Å; P286-N504 HydrophobicContact CG-CB 4.22Å; P286-N504 WeakPolarHBondContact CG-ND2 3.29Å
287	P	89.9	Confident	77	Confident	67 Å²	67	85.3 Å²	85.3	44%	0.435	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-56.2	139.4	166.5	-21.9	32.8	0	0	0	111.1	N289 R290	P287-N289 VanDerWaalsContact C-N 3.26Å; P287-N289 PolarHBondContact O-N 3.01Å; P287-R290 HydrophobicContact CB-CB 4.42Å; P287-R290 WeakPolarHBondContact O-CB 3.36Å; P287-R290 PolarHBondContact O-N 3.23Å
288	W	85.8	Confident	79.5	Confident	85 Å²	85	82.9 Å²	82.9	32%	0.322	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-57.4	-39.3	-178.5	-178.6	-106.8	0	0	0	112.7	F236 L239 R290 L293 F460	F236-W288 HydrophobicContact CB-CZ3 4.43Å; F236-W288 AromaticContact CD1-CE3 3.83Å; F236-W288 HydrophobicContact CD1-CE3 3.83Å; F236-W288 HydrophobicContact CD1-CZ3 4.26Å; F236-W288 AromaticContact CD2-CE3 3.87Å; F236-W288 HydrophobicContact CD2-CE3 3.87Å; F236-W288 AromaticContact CD2-CZ3 3.55Å; F236-W288 HydrophobicContact CD2-CZ3 3.55Å; F236-W288 AromaticContact CE1-CE3 3.72Å; F236-W288 HydrophobicContact CE1-CE3 3.72Å; F236-W288 HydrophobicContact CE1-CZ3 4.4Å; F236-W288 AromaticContact CE2-CE3 3.75Å; F236-W288 HydrophobicContact CE2-CE3 3.75Å; F236-W288 AromaticContact CE2-CZ3 3.69Å; F236-W288 HydrophobicContact CE2-CZ3 3.69Å; F236-W288 AromaticContact CG-CE3 3.89Å; F236-W288 HydrophobicContact CG-CE3 3.89Å; F236-W288 AromaticContact CG-CZ3 3.83Å; F236-W288 HydrophobicContact CG-CZ3 3.83Å; F236-W288 AromaticContact CZ-CE3 3.67Å; F236-W288 HydrophobicContact CZ-CE3 3.67Å; F236-W288 HydrophobicContact CZ-CZ3 4.12Å; L239-W288 HydrophobicContact CD1-CH2 3.88Å; L239-W288 HydrophobicContact CD1-CZ3 3.84Å; L239-W288 HydrophobicContact CD2-CD2 4.16Å; L239-W288 HydrophobicContact CD2-CE3 3.73Å; L239-W288 HydrophobicContact CD2-CH2 3.16Å; L239-W288 HydrophobicContact CD2-CZ2 3.59Å; L239-W288 HydrophobicContact CD2-CZ3 3.24Å; L239-W288 HydrophobicContact CG-CH2 4.15Å; L239-W288 HydrophobicContact CG-CZ3 4.08Å; W288-R290 VanDerWaalsContact C-N 3.28Å; W288-R290 PolarHBondContact O-N 3.02Å; W288-L293 HydrophobicContact CD2-CD1 4.38Å; W288-L293 HydrophobicContact CE3-CD1 4.17Å; W288-L293 HydrophobicContact CH2-CD1 3.62Å; W288-L293 HydrophobicContact CZ2-CB 4.46Å; W288-L293 HydrophobicContact CZ2-CD1 3.89Å; W288-L293 HydrophobicContact CZ3-CD1 3.76Å; W288-F460 HydrophobicContact CH2-CD1 4.07Å; W288-F460 HydrophobicContact CH2-CE1 4.19Å; W288-F460 HydrophobicContact CH2-CG 4.38Å; W288-F460 HydrophobicContact CZ3-CE1 4.33Å; W288-F460 HydrophobicContact CZ3-CE2 4.48Å; W288-F460 HydrophobicContact CZ3-CZ 4.29Å
289	N	89.1	Confident	81.9	Confident	135 Å²	135	76.1 Å²	76.1	72%	0.722	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-86.8	13.6	-179.8	66.5	-33.4	0	0	0	114.1	P287 I291	P287-N289 VanDerWaalsContact C-N 3.26Å; P287-N289 PolarHBondContact O-N 3.01Å; N289-I291 VanDerWaalsContact C-N 3.28Å; N289-I291 PolarHBondContact O-N 3.47Å
290	R	91.8	Very high	83.8	Confident	42 Å²	42	72.9 Å²	72.9	16%	0.158	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-63.2	-37.1	179.6	-179.6	174.2	-178.7	-76.1	-6.3	112.1	P287 W288 N504 D519 L521	P287-R290 HydrophobicContact CB-CB 4.42Å; P287-R290 WeakPolarHBondContact O-CB 3.36Å; P287-R290 PolarHBondContact O-N 3.23Å; W288-R290 VanDerWaalsContact C-N 3.28Å; W288-R290 PolarHBondContact O-N 3.02Å; R290-N504 WeakPolarHBondContact CD-OD1 3.4Å; R290-N504 WeakPolarHBondContact CG-OD1 3.33Å; R290-N504 PolarHBondContact NH1-OD1 3.48Å; R290-D519 IonicContact CZ-OD1 3.14Å; R290-D519 IonicContact CZ-OD2 2.76Å; R290-D519 IonicContact NH1-OD1 3.69Å; R290-D519 PolarHBondContact NH1-OD1 3.34Å; R290-D519 IonicContact NH2-OD1 3.14Å; R290-D519 PolarHBondContact NH2-OD1 3.2Å; R290-D519 IonicContact NH2-OD2 3.7Å; R290-D519 PolarHBondContact NH2-OD2 3.03Å; R290-L521 HydrophobicContact CG-CD2 4.25Å; R290-L521 WeakPolarHBondContact O-CD1 3.46Å
291	I	92.2	Very high	85.4	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	38%	0.379	C	S	.	.	S	Bend	trans	-125.2	149.3	171.8	57.1	170.2	0	0	0	108.8	N289 L293 S503 L520 L521	N289-I291 VanDerWaalsContact C-N 3.28Å; N289-I291 PolarHBondContact O-N 3.47Å; I291-L293 HydrophobicContact CD1-CD2 3.7Å; I291-L293 HydrophobicContact CD1-CG 4.35Å; I291-L293 HydrophobicContact CG1-CD2 3.96Å; I291-L293 HydrophobicContact CG1-CG 4.07Å; I291-L293 PolarHBondContact O-N 2.89Å; I291-S503 WeakPolarHBondContact CD1-O 3.41Å; I291-L520 HydrophobicContact CB-CD2 4.44Å; I291-L520 HydrophobicContact CD1-CD2 3.45Å; I291-L520 VanDerWaalsContact CD1-CD2 3.45Å; I291-L520 HydrophobicContact CG2-CB 4.36Å; I291-L520 HydrophobicContact CG2-CD2 4.23Å; I291-L521 HydrophobicContact CG2-CB 4.21Å
292	P	91.2	Very high	86.1	Confident	102 Å²	102	64.7 Å²	64.7	66%	0.662	37%	0.37	S	S	*	.			trans	-68.2	97.8	176	-18.1	31.1	0	0	0	111.4	Y463	P292-Y463 WeakPolarHBondContact O-CE2 3.48Å; P292-Y463 PolarHBondContact O-OH 2.84Å; P292-Y463 VanDerWaalsContact O-OH 3.08Å
293	L	88.8	Confident	86.4	Confident	28 Å²	28	65.2 Å²	65.2	15%	0.147	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-89	147.2	173.7	-65.3	177.7	0	0	0	110.7	W288 I291 F460 Y463	W288-L293 HydrophobicContact CD2-CD1 4.38Å; W288-L293 HydrophobicContact CE3-CD1 4.17Å; W288-L293 HydrophobicContact CH2-CD1 3.62Å; W288-L293 HydrophobicContact CZ2-CB 4.46Å; W288-L293 HydrophobicContact CZ2-CD1 3.89Å; W288-L293 HydrophobicContact CZ3-CD1 3.76Å; I291-L293 HydrophobicContact CD1-CD2 3.7Å; I291-L293 HydrophobicContact CD1-CG 4.35Å; I291-L293 HydrophobicContact CG1-CD2 3.96Å; I291-L293 HydrophobicContact CG1-CG 4.07Å; I291-L293 PolarHBondContact O-N 2.89Å; L293-F460 HydrophobicContact CD1-CB 4.43Å; L293-F460 HydrophobicContact CD1-CD2 4.07Å; L293-F460 HydrophobicContact CD1-CG 4.28Å; L293-F460 HydrophobicContact CD2-CB 4.13Å; L293-Y463 HydrophobicContact CD2-CE2 4.43Å
294	P	85.7	Confident	86.5	Confident	53 Å²	53	62.3 Å²	62.3	34%	0.344	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.7	156.8	173.8	28.9	-34	0	0	0	111	M296 F460	P294-M296 PolarHBondContact O-N 3.45Å; P294-F460 VanDerWaalsContact CG-O 3.25Å; P294-F460 WeakPolarHBondContact CG-O 3.44Å
295	D	82.8	Confident	86.4	Confident	166 Å²	166	61 Å²	61	89%	0.888	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.5	126.6	172.5	-73.7	-33.8	0	0	0	109.9	S297	D295-S297 PolarHBondContact O-N 3.41Å
296	M	82.2	Confident	86.3	Confident	30 Å²	30	62.2 Å²	62.2	15%	0.148	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71	120.4	-176.5	-54.1	-48.1	-61.6	0	0	110.4	P294 W300 K301 F460	P294-M296 PolarHBondContact O-N 3.45Å; M296-W300 HydrophobicContact CB-CD2 4.4Å; M296-W300 HydrophobicContact CB-CE3 3.78Å; M296-W300 HydrophobicContact CB-CZ3 4.24Å; M296-W300 HydrophobicContact CE-CB 4.34Å; M296-W300 HydrophobicContact CE-CD2 3.08Å; M296-W300 HydrophobicContact CE-CE3 3.49Å; M296-W300 VanDerWaalsContact CE-CE3 3.49Å; M296-W300 HydrophobicContact CE-CG 3.46Å; M296-W300 VanDerWaalsContact CE-CG 3.46Å; M296-W300 HydrophobicContact CE-CH2 4.03Å; M296-W300 HydrophobicContact CE-CZ2 3.65Å; M296-W300 HydrophobicContact CE-CZ3 3.94Å; M296-W300 HydrophobicContact CG-CE3 4.08Å; M296-W300 HydrophobicContact CG-CZ3 4.14Å; M296-K301 VanDerWaalsContact O-CE 3.29Å; M296-K301 WeakPolarHBondContact O-CE 3.44Å; M296-F460 HydrophobicContact CE-CB 4.35Å; M296-F460 HydrophobicContact CE-CD1 3.91Å; M296-F460 HydrophobicContact SD-CB 4.24Å; M296-F460 HydrophobicContact SD-CD1 4.13Å
297	S	80.7	Confident	86.1	Confident	54 Å²	54	63 Å²	63	38%	0.378	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-62.9	155.9	177.6	71.1	0	0	0	0	112.1	D295 A299 W300 K301	D295-S297 PolarHBondContact O-N 3.41Å; S297-A299 PolarHBondContact O-N 3.39Å; S297-W300 PolarHBondContact O-N 3.31Å; S297-W300 VanDerWaalsContact O-N 3.16Å; S297-W300 WeakPolarHBondContact OG-CB 3.09Å; S297-W300 PolarHBondContact OG-N 2.95Å; S297-W300 VanDerWaalsContact OG-N 3.16Å; S297-K301 PolarHBondContact O-N 2.8Å; S297-K301 VanDerWaalsContact O-N 3.08Å
298	E	82.4	Confident	85.8	Confident	138 Å²	138	65 Å²	65	65%	0.645	37%	0.367	S	S	*	.	H	α-helix	trans	-60.6	-36.2	174.3	-69.7	-57.1	130.5	0	0	111.9	W300 K301 A302	E298-W300 VanDerWaalsContact C-N 3.33Å; E298-W300 PolarHBondContact O-N 3Å; E298-K301 PolarHBondContact O-N 2.81Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 PolarHBondContact OE1-NZ 3.46Å; E298-A302 WeakPolarHBondContact O-CB 3.38Å; E298-A302 PolarHBondContact O-N 2.75Å
299	A	81.6	Confident	85.9	Confident	68 Å²	68	63.1 Å²	63.1	56%	0.562	37%	0.37	S	S	*	.	H	α-helix	trans	-60.4	-42.3	174.6	0	0	0	0	0	112	S297 A302 D303	S297-A299 PolarHBondContact O-N 3.39Å; A299-A302 PolarHBondContact O-N 3.21Å; A299-D303 WeakPolarHBondContact O-CB 3.29Å; A299-D303 PolarHBondContact O-N 2.89Å
300	W	82.8	Confident	85.7	Confident	22 Å²	22	59.2 Å²	59.2	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-44.2	176.1	-177.6	95.5	0	0	0	111.8	L239 M296 S297 E298 A302 D303 H304 F460	L239-W300 HydrophobicContact CB-CH2 4.04Å; L239-W300 HydrophobicContact CB-CZ3 4Å; L239-W300 HydrophobicContact CD1-CH2 3.61Å; L239-W300 HydrophobicContact CD1-CZ2 4.48Å; L239-W300 HydrophobicContact CD1-CZ3 4.33Å; L239-W300 HydrophobicContact CG-CH2 4.45Å; M296-W300 HydrophobicContact CB-CD2 4.4Å; M296-W300 HydrophobicContact CB-CE3 3.78Å; M296-W300 HydrophobicContact CB-CZ3 4.24Å; M296-W300 HydrophobicContact CE-CB 4.34Å; M296-W300 HydrophobicContact CE-CD2 3.08Å; M296-W300 HydrophobicContact CE-CE3 3.49Å; M296-W300 VanDerWaalsContact CE-CE3 3.49Å; M296-W300 HydrophobicContact CE-CG 3.46Å; M296-W300 VanDerWaalsContact CE-CG 3.46Å; M296-W300 HydrophobicContact CE-CH2 4.03Å; M296-W300 HydrophobicContact CE-CZ2 3.65Å; M296-W300 HydrophobicContact CE-CZ3 3.94Å; M296-W300 HydrophobicContact CG-CE3 4.08Å; M296-W300 HydrophobicContact CG-CZ3 4.14Å; S297-W300 PolarHBondContact O-N 3.31Å; S297-W300 VanDerWaalsContact O-N 3.16Å; S297-W300 WeakPolarHBondContact OG-CB 3.09Å; S297-W300 PolarHBondContact OG-N 2.95Å; S297-W300 VanDerWaalsContact OG-N 3.16Å; E298-W300 VanDerWaalsContact C-N 3.33Å; E298-W300 PolarHBondContact O-N 3Å; W300-A302 VanDerWaalsContact C-N 3.32Å; W300-A302 PolarHBondContact O-N 3.03Å; W300-D303 PolarHBondContact O-N 2.86Å; W300-H304 HydrophobicContact CE3-CB 4.5Å; W300-H304 HydrophobicContact CH2-CB 4.28Å; W300-H304 AromaticContact CH2-CD2 3.68Å; W300-H304 AromaticContact CZ2-CD2 3.89Å; W300-H304 HydrophobicContact CZ3-CB 4.27Å; W300-H304 WeakPolarHBondContact O-CB 3.33Å; W300-H304 PolarHBondContact O-N 2.83Å; W300-F460 HydrophobicContact CH2-CD1 4.3Å; W300-F460 HydrophobicContact CH2-CE1 4.01Å; W300-F460 AromaticContact CZ2-CD1 3.87Å; W300-F460 HydrophobicContact CZ2-CD1 3.87Å; W300-F460 AromaticContact CZ2-CE1 3.78Å; W300-F460 HydrophobicContact CZ2-CE1 3.78Å
301	K	84.2	Confident	85.3	Confident	62 Å²	62	59 Å²	59	27%	0.27	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-39.6	177.8	-66.1	174.5	-166	163.5	0	111.9	M296 S297 E298 S305	M296-K301 VanDerWaalsContact O-CE 3.29Å; M296-K301 WeakPolarHBondContact O-CE 3.44Å; S297-K301 PolarHBondContact O-N 2.8Å; S297-K301 VanDerWaalsContact O-N 3.08Å; E298-K301 PolarHBondContact O-N 2.81Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 PolarHBondContact OE1-NZ 3.46Å; K301-S305 WeakPolarHBondContact O-CB 3.47Å; K301-S305 PolarHBondContact O-N 3.2Å; K301-S305 PolarHBondContact O-OG 2.76Å
302	A	85.5	Confident	84.7	Confident	60 Å²	60	62.5 Å²	62.5	50%	0.496	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-45.8	176	0	0	0	0	0	111.3	E298 A299 W300 S305 A306	E298-A302 WeakPolarHBondContact O-CB 3.38Å; E298-A302 PolarHBondContact O-N 2.75Å; A299-A302 PolarHBondContact O-N 3.21Å; W300-A302 VanDerWaalsContact C-N 3.32Å; W300-A302 PolarHBondContact O-N 3.03Å; A302-S305 WeakPolarHBondContact O-CB 3.39Å; A302-S305 PolarHBondContact O-N 3.25Å; A302-A306 PolarHBondContact O-N 3.04Å
303	D	85.6	Confident	84.4	Confident	28 Å²	28	64.3 Å²	64.3	15%	0.15	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-40.8	177.8	-172.8	83.8	0	0	0	112.2	A299 W300 S305 A306 A307 K419 R646	A299-D303 WeakPolarHBondContact O-CB 3.29Å; A299-D303 PolarHBondContact O-N 2.89Å; W300-D303 PolarHBondContact O-N 2.86Å; D303-S305 VanDerWaalsContact C-N 3.34Å; D303-S305 PolarHBondContact O-N 3.13Å; D303-A306 WeakPolarHBondContact O-CB 3.44Å; D303-A306 PolarHBondContact O-N 3.28Å; D303-A307 PolarHBondContact O-N 3.46Å; D303-K419 IonicContact OD1-NZ 2.8Å; D303-K419 PolarHBondContact OD1-NZ 3.37Å; D303-R646 IonicContact OD1-NH1 3.93Å; D303-R646 IonicContact OD1-NH2 3.86Å; D303-R646 IonicContact OD2-CZ 2.97Å; D303-R646 IonicContact OD2-NH1 3.34Å; D303-R646 IonicContact OD2-NH2 3.71Å; D303-R646 PolarHBondContact OD2-NH2 2.98Å
304	H	84.2	Confident	84	Confident	55 Å²	55	65.3 Å²	65.3	26%	0.255	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-40.1	174.2	-172	-75.1	0	0	0	112	W300 A307 Q308	W300-H304 HydrophobicContact CE3-CB 4.5Å; W300-H304 HydrophobicContact CH2-CB 4.28Å; W300-H304 AromaticContact CH2-CD2 3.68Å; W300-H304 AromaticContact CZ2-CD2 3.89Å; W300-H304 HydrophobicContact CZ3-CB 4.27Å; W300-H304 WeakPolarHBondContact O-CB 3.33Å; W300-H304 PolarHBondContact O-N 2.83Å; H304-A307 WeakPolarHBondContact O-CB 3.36Å; H304-A307 PolarHBondContact O-N 3.47Å; H304-Q308 PolarHBondContact O-N 2.93Å
305	S	86	Confident	83.2	Confident	54 Å²	54	66.2 Å²	66.2	38%	0.378	38%	0.383	S	S	.	.	H	α-helix	trans	-65.5	-40.3	175.1	-58.4	0	0	0	0	111.6	K301 A302 D303 Q308 A309	K301-S305 WeakPolarHBondContact O-CB 3.47Å; K301-S305 PolarHBondContact O-N 3.2Å; K301-S305 PolarHBondContact O-OG 2.76Å; A302-S305 WeakPolarHBondContact O-CB 3.39Å; A302-S305 PolarHBondContact O-N 3.25Å; D303-S305 VanDerWaalsContact C-N 3.34Å; D303-S305 PolarHBondContact O-N 3.13Å; S305-Q308 PolarHBondContact O-N 3.5Å; S305-A309 PolarHBondContact O-N 2.83Å
306	A	87.7	Confident	82.4	Confident	47 Å²	47	67.1 Å²	67.1	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-41.7	173.1	0	0	0	0	0	111.5	A302 D303 Q308 A309 E310	A302-A306 PolarHBondContact O-N 3.04Å; D303-A306 WeakPolarHBondContact O-CB 3.44Å; D303-A306 PolarHBondContact O-N 3.28Å; A306-Q308 VanDerWaalsContact C-N 3.32Å; A306-Q308 PolarHBondContact O-N 3.36Å; A306-A309 WeakPolarHBondContact O-CB 3.48Å; A306-A309 PolarHBondContact O-N 3.04Å; A306-A309 VanDerWaalsContact O-N 3.14Å; A306-E310 WeakPolarHBondContact O-CG 3.37Å; A306-E310 PolarHBondContact O-N 3.09Å
307	A	87.2	Confident	81.1	Confident	21 Å²	21	68.4 Å²	68.4	17%	0.174	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-43.3	175.5	0	0	0	0	0	111.9	D303 H304 A309 E310 S311	D303-A307 PolarHBondContact O-N 3.46Å; H304-A307 WeakPolarHBondContact O-CB 3.36Å; H304-A307 PolarHBondContact O-N 3.47Å; A307-A309 PolarHBondContact O-N 3.12Å; A307-E310 PolarHBondContact O-N 3.24Å; A307-S311 WeakPolarHBondContact O-CB 3.49Å; A307-S311 PolarHBondContact O-N 2.73Å
308	Q	84.5	Confident	79.8	Confident	108 Å²	108	72.1 Å²	72.1	51%	0.505	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-40.3	175.8	-169.1	175.4	10.9	0	0	112.1	H304 S305 A306 S311 S312	H304-Q308 PolarHBondContact O-N 2.93Å; S305-Q308 PolarHBondContact O-N 3.5Å; A306-Q308 VanDerWaalsContact C-N 3.32Å; A306-Q308 PolarHBondContact O-N 3.36Å; Q308-S311 WeakPolarHBondContact O-CB 3.25Å; Q308-S311 PolarHBondContact O-N 2.94Å; Q308-S312 PolarHBondContact O-N 2.93Å; Q308-S312 VanDerWaalsContact O-N 3.11Å
309	A	86.8	Confident	78.1	Confident	46 Å²	46	76.7 Å²	76.7	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-42.3	175.9	0	0	0	0	0	112.2	S305 A306 A307 S312	S305-A309 PolarHBondContact O-N 2.83Å; A306-A309 WeakPolarHBondContact O-CB 3.48Å; A306-A309 PolarHBondContact O-N 3.04Å; A306-A309 VanDerWaalsContact O-N 3.14Å; A307-A309 PolarHBondContact O-N 3.12Å; A309-S312 PolarHBondContact O-N 3.39Å; A309-S312 PolarHBondContact O-OG 3.34Å
310	E	86.7	Confident	76.7	Confident	54 Å²	54	79.8 Å²	79.8	25%	0.252	43%	0.426	S	S	.	.	H	α-helix	trans	-67.8	-39.6	175.6	-68.7	-157.6	127.4	0	0	112.9	A306 A307 S312 K313 R646 R647	A306-E310 WeakPolarHBondContact O-CG 3.37Å; A306-E310 PolarHBondContact O-N 3.09Å; A307-E310 PolarHBondContact O-N 3.24Å; E310-S312 PolarHBondContact O-N 3.3Å; E310-K313 WeakPolarHBondContact O-CB 3.45Å; E310-K313 PolarHBondContact O-N 3Å; E310-R646 HydrophobicContact CB-CB 4.29Å; E310-R646 VanDerWaalsContact OE2-CD 3.25Å; E310-R646 WeakPolarHBondContact OE2-CD 3.36Å; E310-R647 IonicContact OE1-CZ 3.06Å; E310-R647 IonicContact OE1-NE 2.75Å; E310-R647 IonicContact OE1-NH2 3.8Å; E310-R647 PolarHBondContact OE1-NH2 2.6Å; E310-R647 VanDerWaalsContact OE1-NH2 3.12Å
311	S	82.3	Confident	75.4	Confident	38 Å²	38	81.4 Å²	81.4	27%	0.266	44%	0.437	S	S	.	.	H	α-helix	trans	-55.5	-38.1	172.9	155	0	0	0	0	111.7	A307 Q308 K313 R314	A307-S311 WeakPolarHBondContact O-CB 3.49Å; A307-S311 PolarHBondContact O-N 2.73Å; Q308-S311 WeakPolarHBondContact O-CB 3.25Å; Q308-S311 PolarHBondContact O-N 2.94Å; S311-K313 PolarHBondContact O-N 2.86Å; S311-R314 VanDerWaalsContact O-CB 3.31Å; S311-R314 WeakPolarHBondContact O-CB 3.37Å; S311-R314 VanDerWaalsContact O-CG 3.3Å; S311-R314 WeakPolarHBondContact O-CG 3.25Å; S311-R314 PolarHBondContact O-N 2.91Å; S311-R314 PolarHBondContact O-NE 3.28Å; S311-R314 VanDerWaalsContact O-NE 3.12Å; S311-R314 PolarHBondContact OG-NE 3.07Å; S311-R314 PolarHBondContact OG-NH2 3.22Å
312	S	79.8	Confident	74.4	Confident	79 Å²	79	89.2 Å²	89.2	55%	0.552	46%	0.464	S	S	*	.	H	α-helix	trans	-67.5	-21.9	177.8	78.7	0	0	0	0	114	Q308 A309 E310 R314	Q308-S312 PolarHBondContact O-N 2.93Å; Q308-S312 VanDerWaalsContact O-N 3.11Å; A309-S312 PolarHBondContact O-N 3.39Å; A309-S312 PolarHBondContact O-OG 3.34Å; E310-S312 PolarHBondContact O-N 3.3Å; S312-R314 VanDerWaalsContact C-N 3.33Å
313	K	84.6	Confident	73.6	Confident	139 Å²	139	88.8 Å²	88.8	60%	0.604	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.8	178.1	-60.1	173.3	-175.4	174.6	0	112.9	E310 S311	E310-K313 WeakPolarHBondContact O-CB 3.45Å; E310-K313 PolarHBondContact O-N 3Å; S311-K313 PolarHBondContact O-N 2.86Å
314	R	80.2	Confident	73.5	Confident	50 Å²	50	90.8 Å²	90.8	19%	0.189	47%	0.47	C	S	.	.	S	Bend	trans	-60.5	139.5	176.3	-78.4	-174.6	-87.1	-179.7	-16.5	111.4	S311 S312 K316 R585	S311-R314 VanDerWaalsContact O-CB 3.31Å; S311-R314 WeakPolarHBondContact O-CB 3.37Å; S311-R314 VanDerWaalsContact O-CG 3.3Å; S311-R314 WeakPolarHBondContact O-CG 3.25Å; S311-R314 PolarHBondContact O-N 2.91Å; S311-R314 PolarHBondContact O-NE 3.28Å; S311-R314 VanDerWaalsContact O-NE 3.12Å; S311-R314 PolarHBondContact OG-NE 3.07Å; S311-R314 PolarHBondContact OG-NH2 3.22Å; S312-R314 VanDerWaalsContact C-N 3.33Å; R314-K316 PolarHBondContact O-N 2.83Å; R314-R585 PolarHBondContact NH1-O 3.16Å
315	C	68.9	Low	73.7	Confident	72 Å²	72	90.4 Å²	90.4	49%	0.486	47%	0.469	S	S	.	.			trans	-67.7	118.4	173.2	-171.5	0	0	0	0	109.8	N321	C315-N321 WeakPolarHBondContact CB-OD1 3.43Å; C315-N321 PolarHBondContact O-ND2 3.12Å; C315-N321 VanDerWaalsContact O-ND2 3.12Å; C315-N321 PolarHBondContact SG-OD1 3.07Å
316	K	67.1	Low	74.1	Confident	185 Å²	185	93.2 Å²	93.2	80%	0.804	47%	0.472	S	S	*	.			trans	-92.3	-10.7	-176.9	-61.3	-179.6	-177.1	174.9	0	113.6	R314	R314-K316 PolarHBondContact O-N 2.83Å
317	S	54.8	Low	74.3	Confident	57 Å²	57	94.2 Å²	94.2	40%	0.399	47%	0.468	S	S	.	.			trans	-84.7	119.2	-172.4	-176.5	0	0	0	0	111.5	Y319 D320 N321	S317-Y319 VanDerWaalsContact C-N 3.27Å; S317-Y319 PolarHBondContact O-N 3.12Å; S317-D320 PolarHBondContact O-N 3.18Å; S317-N321 WeakPolarHBondContact O-CB 3.46Å; S317-N321 PolarHBondContact O-N 3.1Å; S317-N321 PolarHBondContact O-ND2 3.2Å; S317-N321 VanDerWaalsContact O-ND2 3.17Å; S317-N321 PolarHBondContact O-OD1 3.17Å
318	L	52.1	Low	74.6	Confident	131 Å²	131	97.1 Å²	97.1	69%	0.686	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.6	176.1	-75.7	152.2	0	0	0	113.3
319	Y	47.6	Very low	75	Confident	234 Å²	234	94.1 Å²	94.1	92%	0.918	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.7	-174.3	-75.1	-80.3	0	0	0	114.1	S317	S317-Y319 VanDerWaalsContact C-N 3.27Å; S317-Y319 PolarHBondContact O-N 3.12Å
320	D	52.6	Low	75.1	Confident	134 Å²	134	93.7 Å²	93.7	72%	0.717	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-7.6	180	-127.2	-3.8	0	0	0	112.4	S317 R322	S317-D320 PolarHBondContact O-N 3.18Å; D320-R322 PolarHBondContact O-N 3.14Å
321	N	55.2	Low	75.1	Confident	56 Å²	56	100.1 Å²	100.1	30%	0.299	48%	0.479	S	S	.	.			trans	-93	56.3	-168.3	-79	-2.7	0	0	0	113.2	C315 S317	C315-N321 WeakPolarHBondContact CB-OD1 3.43Å; C315-N321 PolarHBondContact O-ND2 3.12Å; C315-N321 VanDerWaalsContact O-ND2 3.12Å; C315-N321 PolarHBondContact SG-OD1 3.07Å; S317-N321 WeakPolarHBondContact O-CB 3.46Å; S317-N321 PolarHBondContact O-N 3.1Å; S317-N321 PolarHBondContact O-ND2 3.2Å; S317-N321 VanDerWaalsContact O-ND2 3.17Å; S317-N321 PolarHBondContact O-OD1 3.17Å
322	R	63.7	Low	74.9	Confident	225 Å²	225	103 Å²	103	85%	0.849	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-63.2	130.4	156.9	-73.4	-172.3	-179.6	-165.9	0.3	107.5	D320 T324	D320-R322 PolarHBondContact O-N 3.14Å; R322-T324 PolarHBondContact O-N 2.91Å; R322-T324 VanDerWaalsContact O-N 3.11Å
323	P	67.7	Low	75.1	Confident	52 Å²	52	101 Å²	101	34%	0.338	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-56.9	124	176.8	23	-31.6	0	0	0	108.5	F632	P323-F632 HydrophobicContact CG-CE2 4.17Å; P323-F632 HydrophobicContact CG-CZ 4.01Å
324	T	83.3	Confident	75.1	Confident	70 Å²	70	102.6 Å²	102.6	43%	0.429	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-92.5	116.4	176.1	-61.7	0	0	0	0	107.2	R322 Y326 L649 L650	R322-T324 PolarHBondContact O-N 2.91Å; R322-T324 VanDerWaalsContact O-N 3.11Å; T324-Y326 HydrophobicContact CG2-CD2 4.27Å; T324-Y326 HydrophobicContact CG2-CE2 3.69Å; T324-L649 HydrophobicContact CG2-CD2 4.21Å; T324-L650 PolarHBondContact O-N 3.43Å; T324-L650 VanDerWaalsContact O-N 3.09Å
325	I	89.9	Confident	75.6	Confident	46 Å²	46	101 Å²	101	24%	0.236	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122	-175.1	-50.9	-177.8	0	0	0	108.7	V599 F632 L650 C652	I325-V599 HydrophobicContact CD1-CG1 4.15Å; I325-F632 HydrophobicContact CD1-CB 4.28Å; I325-F632 HydrophobicContact CD1-CD1 4.3Å; I325-F632 HydrophobicContact CD1-CD2 3.27Å; I325-F632 HydrophobicContact CD1-CE1 4.49Å; I325-F632 HydrophobicContact CD1-CE2 3.5Å; I325-F632 VanDerWaalsContact CD1-CE2 3.5Å; I325-F632 HydrophobicContact CD1-CG 3.71Å; I325-F632 HydrophobicContact CD1-CZ 4.12Å; I325-L650 CarbonylContact C-O 3.6Å; I325-L650 WeakPolarHBondContact CA-O 3.17Å; I325-L650 HydrophobicContact CD1-CD2 4.07Å; I325-L650 HydrophobicContact CG1-CB 4.29Å; I325-L650 HydrophobicContact CG1-CD2 4.02Å; I325-L650 HydrophobicContact CG2-CD2 4.32Å; I325-L650 HydrophobicContact CG2-CG 4.42Å; I325-C652 HydrophobicContact CG2-CB 4.46Å
326	Y	92.7	Very high	76.7	Confident	113 Å²	113	100.9 Å²	100.9	44%	0.443	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.2	169.1	-70.8	-87.2	0	0	0	108.7	T324 L649 L650 Y651 C652	T324-Y326 HydrophobicContact CG2-CD2 4.27Å; T324-Y326 HydrophobicContact CG2-CE2 3.69Å; Y326-L649 HydrophobicContact CE2-CD1 4.2Å; Y326-L649 HydrophobicContact CE2-CD2 4.47Å; Y326-L650 PolarHBondContact N-O 3.5Å; Y326-Y651 HydrophobicContact CD2-CD1 4.13Å; Y326-Y651 AromaticContact CD2-CE1 3.8Å; Y326-Y651 HydrophobicContact CD2-CE1 3.8Å; Y326-Y651 HydrophobicContact CG-CD1 4.35Å; Y326-Y651 HydrophobicContact CG-CE1 4.17Å; Y326-Y651 CarbonylContact O-C 3.6Å; Y326-Y651 WeakPolarHBondContact O-CA 3.41Å; Y326-C652 PolarHBondContact O-N 3.14Å
327	F	93.6	Very high	78	Confident	69 Å²	69	92.1 Å²	92.1	30%	0.303	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.8	176.7	-169.5	-90.7	0	0	0	110.4	T634 I637 V639 C652	F327-T634 HydrophobicContact CD2-CG2 3.95Å; F327-T634 HydrophobicContact CE2-CG2 3.68Å; F327-T634 HydrophobicContact CZ-CG2 4Å; F327-I637 HydrophobicContact CE1-CB 4.04Å; F327-I637 HydrophobicContact CE1-CD1 3.95Å; F327-I637 HydrophobicContact CE1-CG2 3.8Å; F327-I637 HydrophobicContact CZ-CB 3.98Å; F327-I637 HydrophobicContact CZ-CG2 3.58Å; F327-V639 HydrophobicContact CE2-CG1 4.4Å; F327-V639 HydrophobicContact CE2-CG2 3.99Å; F327-C652 CarbonylContact C-O 3.51Å; F327-C652 WeakPolarHBondContact CA-O 3.18Å; F327-C652 HydrophobicContact CD2-CB 3.49Å; F327-C652 VanDerWaalsContact CD2-CB 3.49Å; F327-C652 HydrophobicContact CE2-CB 4.04Å; F327-C652 HydrophobicContact CG-CB 4.44Å
328	Y	93.6	Very high	79.9	Confident	81 Å²	81	91.6 Å²	91.6	32%	0.318	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.4	175.4	-64.7	-91.3	0	0	0	109.5	Y651 C652 F653 G654	Y328-Y651 HydrophobicContact CE2-CD1 4.15Å; Y328-Y651 HydrophobicContact CE2-CD2 4.16Å; Y328-Y651 HydrophobicContact CE2-CE1 4.47Å; Y328-Y651 HydrophobicContact CE2-CE2 4.48Å; Y328-Y651 AromaticContact CE2-CG 3.99Å; Y328-Y651 HydrophobicContact CE2-CG 3.99Å; Y328-C652 PolarHBondContact N-O 2.95Å; Y328-F653 HydrophobicContact CD2-CD1 4.24Å; Y328-F653 AromaticContact CD2-CE1 3.63Å; Y328-F653 HydrophobicContact CD2-CE1 3.63Å; Y328-F653 AromaticContact CD2-CZ 3.92Å; Y328-F653 HydrophobicContact CD2-CZ 3.92Å; Y328-F653 HydrophobicContact CE2-CE1 4.44Å; Y328-F653 HydrophobicContact CE2-CZ 4.43Å; Y328-F653 HydrophobicContact CG-CD1 4.16Å; Y328-F653 AromaticContact CG-CE1 3.75Å; Y328-F653 HydrophobicContact CG-CE1 3.75Å; Y328-F653 HydrophobicContact CG-CZ 4.48Å; Y328-F653 WeakPolarHBondContact O-CA 3.29Å; Y328-G654 PolarHBondContact O-N 3.29Å; Y328-G654 VanDerWaalsContact O-N 3.16Å
329	S	91.7	Very high	82.1	Confident	46 Å²	46	86 Å²	86	32%	0.322	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.1	177.3	66.4	0	0	0	0	111.2	G654	S329-G654 WeakPolarHBondContact CA-O 3.46Å
330	I	89.9	Confident	84.4	Confident	36 Å²	36	75.6 Å²	75.6	19%	0.185	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.2	165.5	-56.7	169.2	0	0	0	107.4	P333 A337 F340 I351 G654 V655 K656	I330-P333 HydrophobicContact CG2-CB 3.89Å; I330-P333 HydrophobicContact CG2-CG 4.19Å; I330-A337 HydrophobicContact CD1-CB 4.4Å; I330-F340 HydrophobicContact CD1-CE1 3.62Å; I330-F340 HydrophobicContact CD1-CZ 4Å; I330-I351 HydrophobicContact CD1-CD1 3.54Å; I330-I351 HydrophobicContact CD1-CG1 4.36Å; I330-I351 HydrophobicContact CD1-CG2 4.36Å; I330-I351 HydrophobicContact CG1-CD1 4.48Å; I330-G654 PolarHBondContact N-O 3.07Å; I330-V655 HydrophobicContact CB-CG2 4.33Å; I330-V655 HydrophobicContact CD1-CG2 4.28Å; I330-K656 PolarHBondContact O-N 2.92Å
331	R	85.5	Confident	86.6	Confident	190 Å²	190	70.8 Å²	70.8	72%	0.717	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.6	-179.1	-67.5	-174	176.8	-176.2	1	109.9
332	N	78.2	Confident	88.6	Confident	98 Å²	98	68.3 Å²	68.3	52%	0.524	34%	0.34	S	S	.	.	S	Bend	trans	48.4	53.3	173.8	-56.9	-16.4	0	0	0	113.1	Q658	N332-Q658 WeakPolarHBondContact OD1-CG 3.48Å
333	P	83.3	Confident	90	Very high	37 Å²	37	57.7 Å²	57.7	24%	0.24	30%	0.299	C	S	.	.			trans	-67	146	174.1	33	-35.3	0	0	0	110	I330 A335 Y353 V655	I330-P333 HydrophobicContact CG2-CB 3.89Å; I330-P333 HydrophobicContact CG2-CG 4.19Å; P333-A335 VanDerWaalsContact CB-O 3.23Å; P333-A335 WeakPolarHBondContact CB-O 3.18Å; P333-A335 WeakPolarHBondContact CG-O 3.36Å; P333-A335 PolarHBondContact O-N 3.38Å; P333-Y353 HydrophobicContact CB-CE1 3.94Å; P333-V655 HydrophobicContact CG-CG1 3.54Å
334	D	85.6	Confident	91.1	Very high	172 Å²	172	59 Å²	59	92%	0.92	30%	0.301	S	S	*	.	S	Bend	trans	-65.8	-20.9	177.1	-63.3	-42.8	0	0	0	112.4
335	A	90.5	Very high	91.5	Very high	16 Å²	16	56.8 Å²	56.8	13%	0.132	29%	0.287	C	S	.	.	S	Bend	trans	-138.2	159.9	-179.9	0	0	0	0	0	110.4	P333 Y353 D355	P333-A335 VanDerWaalsContact CB-O 3.23Å; P333-A335 WeakPolarHBondContact CB-O 3.18Å; P333-A335 WeakPolarHBondContact CG-O 3.36Å; P333-A335 PolarHBondContact O-N 3.38Å; A335-Y353 HydrophobicContact CB-CD1 4.08Å; A335-Y353 WeakPolarHBondContact O-CD1 3.44Å; A335-D355 HydrophobicContact CB-CB 3.72Å
336	S	92.2	Very high	91.7	Very high	71 Å²	71	54.9 Å²	54.9	50%	0.497	28%	0.277	S	S	.	.			trans	-71.3	132.1	176.8	-170	0	0	0	0	110.1	C338 Y353 S354	S336-C338 PolarHBondContact O-N 2.62Å; S336-Y353 CarbonylContact O-C 3.52Å; S336-Y353 WeakPolarHBondContact O-CA 2.97Å; S336-S354 PolarHBondContact N-OG 2.87Å; S336-S354 VanDerWaalsContact N-OG 3.08Å; S336-S354 PolarHBondContact O-N 3.27Å
337	A	94.8	Very high	91.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	119.4	170.9	0	0	0	0	0	109.1	I330 F340 I351 Y353 Q640 V655	I330-A337 HydrophobicContact CD1-CB 4.4Å; A337-F340 HydrophobicContact CB-CE1 4.49Å; A337-F340 HydrophobicContact CB-CE2 3.97Å; A337-F340 HydrophobicContact CB-CZ 3.63Å; A337-I351 HydrophobicContact CB-CG2 3.71Å; A337-Y353 HydrophobicContact CB-CD1 4.14Å; A337-Y353 HydrophobicContact CB-CE1 3.88Å; A337-Q640 PolarHBondContact O-NE2 2.84Å; A337-Q640 VanDerWaalsContact O-NE2 3.1Å; A337-V655 HydrophobicContact CB-CG2 3.4Å; A337-V655 VanDerWaalsContact CB-CG2 3.4Å
338	C	95.5	Very high	91.8	Very high	47 Å²	47	50.2 Å²	50.2	32%	0.318	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-36	-174.5	-66.5	0	0	0	0	111.9	S336 G352 V410	S336-C338 PolarHBondContact O-N 2.62Å; C338-G352 PolarHBondContact N-O 3.18Å; C338-V410 WeakPolarHBondContact CB-O 3.47Å
339	C	96.7	Very high	91.9	Very high	14 Å²	14	47 Å²	47	10%	0.095	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.5	-177.5	60.1	0	0	0	0	112.4	I351 G352 V410 Y411	C339-I351 WeakPolarHBondContact O-CA 3.25Å; C339-G352 PolarHBondContact N-O 3.24Å; C339-G352 PolarHBondContact O-N 3.33Å; C339-G352 VanDerWaalsContact SG-CA 3.59Å; C339-V410 PolarHBondContact SG-O 2.89Å; C339-Y411 WeakPolarHBondContact CB-O 3.25Å
340	F	97.4	Very high	92.2	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146	-178.8	-61	-103.6	0	0	0	109.2	I330 A337 L349 A350 I351 Q640 Q641 F653 V655	I330-F340 HydrophobicContact CD1-CE1 3.62Å; I330-F340 HydrophobicContact CD1-CZ 4Å; A337-F340 HydrophobicContact CB-CE1 4.49Å; A337-F340 HydrophobicContact CB-CE2 3.97Å; A337-F340 HydrophobicContact CB-CZ 3.63Å; F340-L349 HydrophobicContact CD1-CD1 4.3Å; F340-A350 VanDerWaalsContact CA-O 3.32Å; F340-A350 WeakPolarHBondContact CA-O 3.47Å; F340-I351 HydrophobicContact CD1-CG1 3.86Å; F340-I351 HydrophobicContact CD1-CG2 4.4Å; F340-I351 HydrophobicContact CE1-CD1 4.45Å; F340-I351 HydrophobicContact CE1-CG1 4.05Å; F340-I351 HydrophobicContact CE1-CG2 4.19Å; F340-I351 HydrophobicContact CZ-CG2 4.45Å; F340-Q640 HydrophobicContact CD2-CB 4.02Å; F340-Q640 HydrophobicContact CE2-CB 3.71Å; F340-Q640 HydrophobicContact CE2-CG 4.37Å; F340-Q641 HydrophobicContact CB-CB 3.68Å; F340-Q641 HydrophobicContact CB-CG 3.89Å; F340-Q641 HydrophobicContact CD2-CB 4.32Å; F340-Q641 HydrophobicContact CG-CB 4.08Å; F340-F653 HydrophobicContact CD1-CB 3.87Å; F340-F653 HydrophobicContact CD1-CG 4.41Å; F340-F653 HydrophobicContact CE1-CB 3.98Å; F340-F653 HydrophobicContact CG-CB 4.44Å; F340-V655 HydrophobicContact CZ-CG2 4.09Å
341	D	97.5	Very high	92.5	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.171	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.1	163.6	-174	35.9	0	0	0	110.7	L349 A350 V413 S414 Y415	D341-L349 CarbonylContact O-C 3.44Å; D341-L349 WeakPolarHBondContact O-CA 3.46Å; D341-A350 PolarHBondContact N-O 2.93Å; D341-A350 PolarHBondContact O-N 3.02Å; D341-V413 HydrophobicContact CB-CG2 3.81Å; D341-V413 WeakPolarHBondContact CB-O 3.41Å; D341-S414 VanDerWaalsContact OD2-CA 3.26Å; D341-S414 WeakPolarHBondContact OD2-CA 3.17Å; D341-Y415 HydrophobicContact CB-CD2 4.37Å; D341-Y415 WeakPolarHBondContact OD2-CD2 3.45Å; D341-Y415 PolarHBondContact OD2-N 2.96Å
342	V	96.6	Very high	93.1	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.3	-178.1	-176.3	0	0	0	0	108	L348 L349 L363 H643 F653	V342-L348 WeakPolarHBondContact CA-O 3.42Å; V342-L349 HydrophobicContact CG2-CD1 3.82Å; V342-L363 HydrophobicContact CG1-CD1 4.22Å; V342-H643 HydrophobicContact CB-CB 4.24Å; V342-H643 HydrophobicContact CG2-CB 4.14Å; V342-F653 HydrophobicContact CG2-CD2 4.23Å; V342-F653 HydrophobicContact CG2-CE2 3.5Å; V342-F653 VanDerWaalsContact CG2-CE2 3.5Å; V342-F653 HydrophobicContact CG2-CZ 3.9Å
343	S	94.6	Very high	94	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.172	C	C	.	.			trans	-51.7	150.5	174.8	55.3	0	0	0	0	112.5	N345 S346 N347 L348	S343-N345 PolarHBondContact O-N 2.77Å; S343-N345 PolarHBondContact OG-OD1 3.1Å; S343-N345 VanDerWaalsContact OG-OD1 3.07Å; S343-S346 WeakPolarHBondContact O-CA 3.39Å; S343-S346 PolarHBondContact O-N 3.39Å; S343-N347 PolarHBondContact OG-N 2.71Å; S343-L348 PolarHBondContact N-O 2.78Å; S343-L348 WeakPolarHBondContact OG-CA 3.41Å; S343-L348 WeakPolarHBondContact OG-CB 3.19Å; S343-L348 PolarHBondContact OG-N 3.47Å; S343-L348 PolarHBondContact OG-O 3.36Å; S343-L348 VanDerWaalsContact OG-O 3.11Å
344	E	90.4	Very high	94.6	Very high	79 Å²	79	30.9 Å²	30.9	37%	0.369	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.9	-174.1	177.1	56.6	-165.6	0	0	114.7	R585 R646	E344-R585 VanDerWaalsContact CD-NH1 3.25Å; E344-R585 IonicContact OE1-CZ 3.82Å; E344-R585 IonicContact OE1-NH1 2.82Å; E344-R585 PolarHBondContact OE1-NH1 2.79Å; E344-R585 IonicContact OE1-NH2 2.68Å; E344-R585 IonicContact OE2-CZ 3.2Å; E344-R585 VanDerWaalsContact OE2-CZ 3.31Å; E344-R585 IonicContact OE2-NH1 3.73Å; E344-R585 PolarHBondContact OE2-NH1 2.6Å; E344-R585 IonicContact OE2-NH2 2.72Å; E344-R585 PolarHBondContact OE2-NH2 3.13Å; E344-R646 PolarHBondContact O-NE 3.25Å; E344-R646 VanDerWaalsContact O-NE 3.14Å
345	N	91.1	Very high	95.1	Very high	25 Å²	25	25.8 Å²	25.8	13%	0.134	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.5	172.9	67.4	-9.5	0	0	0	113.7	S343 N347 K419	S343-N345 PolarHBondContact O-N 2.77Å; S343-N345 PolarHBondContact OG-OD1 3.1Å; S343-N345 VanDerWaalsContact OG-OD1 3.07Å; N345-N347 VanDerWaalsContact C-N 3.27Å; N345-N347 PolarHBondContact ND2-ND2 3.01Å; N345-N347 VanDerWaalsContact ND2-ND2 3.16Å; N345-N347 PolarHBondContact O-N 2.89Å; N345-N347 PolarHBondContact O-OD1 3.13Å; N345-N347 PolarHBondContact OD1-N 3.32Å; N345-K419 WeakPolarHBondContact ND2-CD 3.29Å; N345-K419 PolarHBondContact ND2-NZ 3.33Å
346	S	93.7	Very high	95.4	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	15%	0.152	C	C	.	.	S	Bend	trans	63.5	25.5	179.5	-53.5	0	0	0	0	115.1	S343 L363 H643 T645	S343-S346 WeakPolarHBondContact O-CA 3.39Å; S343-S346 PolarHBondContact O-N 3.39Å; S346-L363 WeakPolarHBondContact O-CD1 3.32Å; S346-H643 PolarHBondContact OG-CD2 3.27Å; S346-H643 VanDerWaalsContact OG-CD2 3.25Å; S346-H643 PolarHBondContact OG-NE2 3.04Å; S346-T645 WeakPolarHBondContact OG-CA 3.48Å; S346-T645 WeakPolarHBondContact OG-CG2 3.34Å
347	N	93.3	Very high	95.6	Very high	63 Å²	63	23 Å²	23	34%	0.337	13%	0.129	S	C	.	.			trans	-97.3	-22.4	-179.4	-68.7	-3.5	0	0	0	113.5	S343 N345 L363 T364	S343-N347 PolarHBondContact OG-N 2.71Å; N345-N347 VanDerWaalsContact C-N 3.27Å; N345-N347 PolarHBondContact ND2-ND2 3.01Å; N345-N347 VanDerWaalsContact ND2-ND2 3.16Å; N345-N347 PolarHBondContact O-N 2.89Å; N345-N347 PolarHBondContact O-OD1 3.13Å; N345-N347 PolarHBondContact OD1-N 3.32Å; N347-L363 PolarHBondContact O-N 3.09Å; N347-T364 HydrophobicContact CB-CG2 3.88Å; N347-T364 WeakPolarHBondContact OD1-CG2 3.5Å
348	L	94.8	Very high	95.7	Very high	22 Å²	22	23 Å²	23	12%	0.115	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144	-178.5	-53.6	174.7	0	0	0	110.5	V342 S343 H361 L368 Y415 K419	V342-L348 WeakPolarHBondContact CA-O 3.42Å; S343-L348 PolarHBondContact N-O 2.78Å; S343-L348 WeakPolarHBondContact OG-CA 3.41Å; S343-L348 WeakPolarHBondContact OG-CB 3.19Å; S343-L348 PolarHBondContact OG-N 3.47Å; S343-L348 PolarHBondContact OG-O 3.36Å; S343-L348 VanDerWaalsContact OG-O 3.11Å; L348-H361 WeakPolarHBondContact CA-O 3.28Å; L348-L368 HydrophobicContact CD2-CD2 3.55Å; L348-Y415 HydrophobicContact CB-CE1 4.23Å; L348-Y415 HydrophobicContact CB-CE2 4.26Å; L348-Y415 HydrophobicContact CD1-CE1 4.23Å; L348-K419 HydrophobicContact CD1-CB 4.2Å
349	L	96.3	Very high	95.7	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.063	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.9	174.8	173.9	71.3	0	0	0	109.4	F340 D341 V342 I351 F360 H361 L363 Y415 F653	F340-L349 HydrophobicContact CD1-CD1 4.3Å; D341-L349 CarbonylContact O-C 3.44Å; D341-L349 WeakPolarHBondContact O-CA 3.46Å; V342-L349 HydrophobicContact CG2-CD1 3.82Å; L349-I351 HydrophobicContact CD2-CD1 3.91Å; L349-I351 HydrophobicContact CD2-CG1 4.16Å; L349-I351 HydrophobicContact CG-CD1 4.3Å; L349-I351 HydrophobicContact CG-CG1 4.05Å; L349-F360 CarbonylContact O-C 3.54Å; L349-F360 WeakPolarHBondContact O-CA 3.16Å; L349-H361 HydrophobicContact CB-CB 4.4Å; L349-H361 PolarHBondContact N-O 2.75Å; L349-H361 PolarHBondContact O-N 2.79Å; L349-L363 HydrophobicContact CB-CD1 4.07Å; L349-L363 HydrophobicContact CB-CD2 3.97Å; L349-L363 HydrophobicContact CB-CG 3.92Å; L349-L363 HydrophobicContact CD2-CD2 4.28Å; L349-Y415 PolarHBondContact O-OH 2.97Å; L349-F653 HydrophobicContact CD1-CD1 3.92Å; L349-F653 HydrophobicContact CD1-CD2 4.49Å; L349-F653 HydrophobicContact CD1-CE1 3.77Å; L349-F653 HydrophobicContact CD1-CE2 4.36Å; L349-F653 HydrophobicContact CD1-CG 4.3Å; L349-F653 HydrophobicContact CD1-CZ 4Å; L349-F653 HydrophobicContact CD2-CD1 3.82Å; L349-F653 HydrophobicContact CD2-CE1 3.7Å; L349-F653 HydrophobicContact CG-CE1 4.3Å
350	A	97.6	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144	170.4	0	0	0	0	0	109.9	F340 D341 Y359 V413 Y415 L422	F340-A350 VanDerWaalsContact CA-O 3.32Å; F340-A350 WeakPolarHBondContact CA-O 3.47Å; D341-A350 PolarHBondContact N-O 2.93Å; D341-A350 PolarHBondContact O-N 3.02Å; A350-Y359 CarbonylContact C-O 3.49Å; A350-Y359 WeakPolarHBondContact CA-O 3.34Å; A350-V413 HydrophobicContact CB-CB 4.26Å; A350-V413 HydrophobicContact CB-CG2 4Å; A350-Y415 HydrophobicContact CB-CD2 4.37Å; A350-Y415 HydrophobicContact CB-CE2 3.51Å; A350-Y415 WeakPolarHBondContact CB-OH 3.15Å; A350-Y415 PolarHBondContact N-OH 2.91Å; A350-Y415 VanDerWaalsContact N-OH 3.16Å; A350-L422 HydrophobicContact CB-CD1 3.69Å; A350-L422 HydrophobicContact CB-CD2 4.21Å
351	I	97.3	Very high	95.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	126	179.6	-53	157.8	0	0	0	108.6	I330 A337 C339 F340 L349 Y353 V358 Y359	I330-I351 HydrophobicContact CD1-CD1 3.54Å; I330-I351 HydrophobicContact CD1-CG1 4.36Å; I330-I351 HydrophobicContact CD1-CG2 4.36Å; I330-I351 HydrophobicContact CG1-CD1 4.48Å; A337-I351 HydrophobicContact CB-CG2 3.71Å; C339-I351 WeakPolarHBondContact O-CA 3.25Å; F340-I351 HydrophobicContact CD1-CG1 3.86Å; F340-I351 HydrophobicContact CD1-CG2 4.4Å; F340-I351 HydrophobicContact CE1-CD1 4.45Å; F340-I351 HydrophobicContact CE1-CG1 4.05Å; F340-I351 HydrophobicContact CE1-CG2 4.19Å; F340-I351 HydrophobicContact CZ-CG2 4.45Å; L349-I351 HydrophobicContact CD2-CD1 3.91Å; L349-I351 HydrophobicContact CD2-CG1 4.16Å; L349-I351 HydrophobicContact CG-CD1 4.3Å; L349-I351 HydrophobicContact CG-CG1 4.05Å; I351-Y353 HydrophobicContact CB-CD2 4.46Å; I351-Y353 HydrophobicContact CB-CE2 3.81Å; I351-Y353 HydrophobicContact CG2-CD2 3.95Å; I351-Y353 HydrophobicContact CG2-CE1 4.3Å; I351-Y353 HydrophobicContact CG2-CE2 3.42Å; I351-Y353 VanDerWaalsContact CG2-CE2 3.42Å; I351-V358 CarbonylContact O-C 3.6Å; I351-V358 WeakPolarHBondContact O-CA 3.4Å; I351-Y359 PolarHBondContact N-O 3.42Å; I351-Y359 PolarHBondContact O-N 3.35Å
352	G	97.5	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.5	169	0	0	0	0	0	111	C338 C339	C338-G352 PolarHBondContact N-O 3.18Å; C339-G352 PolarHBondContact N-O 3.24Å; C339-G352 PolarHBondContact O-N 3.33Å; C339-G352 VanDerWaalsContact SG-CA 3.59Å
353	Y	97.1	Very high	95	Very high	20 Å²	20	25 Å²	25	8%	0.078	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	161.9	-176.2	-73.4	-90.9	0	0	0	113	P333 A335 S336 A337 I351 D355 S356 S357 Y359 V410	P333-Y353 HydrophobicContact CB-CE1 3.94Å; A335-Y353 HydrophobicContact CB-CD1 4.08Å; A335-Y353 WeakPolarHBondContact O-CD1 3.44Å; S336-Y353 CarbonylContact O-C 3.52Å; S336-Y353 WeakPolarHBondContact O-CA 2.97Å; A337-Y353 HydrophobicContact CB-CD1 4.14Å; A337-Y353 HydrophobicContact CB-CE1 3.88Å; I351-Y353 HydrophobicContact CB-CD2 4.46Å; I351-Y353 HydrophobicContact CB-CE2 3.81Å; I351-Y353 HydrophobicContact CG2-CD2 3.95Å; I351-Y353 HydrophobicContact CG2-CE1 4.3Å; I351-Y353 HydrophobicContact CG2-CE2 3.42Å; I351-Y353 VanDerWaalsContact CG2-CE2 3.42Å; Y353-D355 WeakPolarHBondContact CB-OD1 3.43Å; Y353-D355 PolarHBondContact O-N 3.31Å; Y353-S356 PolarHBondContact O-N 3.2Å; Y353-S357 PolarHBondContact N-O 3.32Å; Y353-Y359 AromaticContact CD2-CD2 3.63Å; Y353-Y359 HydrophobicContact CD2-CD2 3.63Å; Y353-Y359 HydrophobicContact CD2-CE2 4.22Å; Y353-Y359 AromaticContact CE2-CD2 3.45Å; Y353-Y359 HydrophobicContact CE2-CD2 3.45Å; Y353-Y359 VanDerWaalsContact CE2-CD2 3.45Å; Y353-Y359 HydrophobicContact CE2-CE2 4.15Å; Y353-Y359 AromaticContact CE2-CG 3.98Å; Y353-Y359 HydrophobicContact CE2-CG 3.98Å; Y353-V410 PolarHBondContact O-N 2.97Å
354	S	96.3	Very high	94.8	Very high	48 Å²	48	26.8 Å²	26.8	34%	0.336	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.2	176.1	66.5	0	0	0	0	114	S336 S356	S336-S354 PolarHBondContact N-OG 2.87Å; S336-S354 VanDerWaalsContact N-OG 3.08Å; S336-S354 PolarHBondContact O-N 3.27Å; S354-S356 VanDerWaalsContact C-N 3.29Å
355	D	96	Very high	94.8	Very high	65 Å²	65	29.4 Å²	29.4	35%	0.348	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	14.6	177.3	77.2	-28.1	0	0	0	113.3	A335 Y353 S357 R402	A335-D355 HydrophobicContact CB-CB 3.72Å; Y353-D355 WeakPolarHBondContact CB-OD1 3.43Å; Y353-D355 PolarHBondContact O-N 3.31Å; D355-S357 PolarHBondContact O-N 3.08Å; D355-S357 VanDerWaalsContact OD1-CB 3.24Å; D355-S357 WeakPolarHBondContact OD1-CB 3.02Å; D355-S357 PolarHBondContact OD1-N 3.13Å; D355-S357 PolarHBondContact OD1-OG 2.75Å; D355-S357 PolarHBondContact OD2-OG 3.24Å; D355-R402 IonicContact OD2-NH2 3.72Å; D355-R402 PolarHBondContact OD2-NH2 3.42Å
356	S	97.2	Very high	94.7	Very high	27 Å²	27	33.8 Å²	33.8	19%	0.189	19%	0.191	C	C	.	.	S	Bend	trans	71.5	8.7	-176.3	-26	0	0	0	0	115.8	Y353 S354 H406 G408	Y353-S356 PolarHBondContact O-N 3.2Å; S354-S356 VanDerWaalsContact C-N 3.29Å; S356-H406 WeakPolarHBondContact CB-O 3.5Å; S356-G408 WeakPolarHBondContact CA-O 3.42Å; S356-G408 WeakPolarHBondContact CB-O 3.36Å; S356-G408 WeakPolarHBondContact OG-CA 3.32Å; S356-G408 PolarHBondContact OG-N 2.86Å; S356-G408 PolarHBondContact OG-O 3.28Å
357	S	96.3	Very high	94.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.9	176.4	70.8	0	0	0	0	112.7	Y353 D355 Y359	Y353-S357 PolarHBondContact N-O 3.32Å; D355-S357 PolarHBondContact O-N 3.08Å; D355-S357 VanDerWaalsContact OD1-CB 3.24Å; D355-S357 WeakPolarHBondContact OD1-CB 3.02Å; D355-S357 PolarHBondContact OD1-N 3.13Å; D355-S357 PolarHBondContact OD1-OG 2.75Å; D355-S357 PolarHBondContact OD2-OG 3.24Å; S357-Y359 VanDerWaalsContact OG-CE2 3.3Å; S357-Y359 WeakPolarHBondContact OG-CE2 3.37Å
358	V	97.1	Very high	94.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.5	170	-178	0	0	0	0	107.5	I351 R402 F403 V410 V413 L422	I351-V358 CarbonylContact O-C 3.6Å; I351-V358 WeakPolarHBondContact O-CA 3.4Å; V358-R402 CarbonylContact O-C 3.53Å; V358-F403 HydrophobicContact CB-CB 4.29Å; V358-F403 PolarHBondContact N-O 3.4Å; V358-F403 VanDerWaalsContact N-O 3.08Å; V358-F403 PolarHBondContact O-N 2.86Å; V358-V410 HydrophobicContact CG2-CB 4.48Å; V358-V410 HydrophobicContact CG2-CG1 4.03Å; V358-V410 HydrophobicContact CG2-CG2 3.89Å; V358-V413 HydrophobicContact CG1-CG1 4.11Å; V358-L422 HydrophobicContact CG1-CD2 3.76Å
359	Y	95.1	Very high	94.3	Very high	42 Å²	42	36.9 Å²	36.9	17%	0.165	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.5	173.7	-78.4	-105.8	0	0	0	109.9	A350 I351 Y353 S357 Y400 V401 R402	A350-Y359 CarbonylContact C-O 3.49Å; A350-Y359 WeakPolarHBondContact CA-O 3.34Å; I351-Y359 PolarHBondContact N-O 3.42Å; I351-Y359 PolarHBondContact O-N 3.35Å; Y353-Y359 AromaticContact CD2-CD2 3.63Å; Y353-Y359 HydrophobicContact CD2-CD2 3.63Å; Y353-Y359 HydrophobicContact CD2-CE2 4.22Å; Y353-Y359 AromaticContact CE2-CD2 3.45Å; Y353-Y359 HydrophobicContact CE2-CD2 3.45Å; Y353-Y359 VanDerWaalsContact CE2-CD2 3.45Å; Y353-Y359 HydrophobicContact CE2-CE2 4.15Å; Y353-Y359 AromaticContact CE2-CG 3.98Å; Y353-Y359 HydrophobicContact CE2-CG 3.98Å; S357-Y359 VanDerWaalsContact OG-CE2 3.3Å; S357-Y359 WeakPolarHBondContact OG-CE2 3.37Å; Y359-Y400 AromaticContact CD1-CD2 3.69Å; Y359-Y400 HydrophobicContact CD1-CD2 3.69Å; Y359-Y400 HydrophobicContact CD1-CE2 4.12Å; Y359-Y400 AromaticContact CE1-CD2 3.79Å; Y359-Y400 HydrophobicContact CE1-CD2 3.79Å; Y359-Y400 AromaticContact CE1-CE2 3.71Å; Y359-Y400 HydrophobicContact CE1-CE2 3.71Å; Y359-V401 WeakPolarHBondContact CA-O 3.48Å; Y359-R402 HydrophobicContact CD1-CB 4.22Å; Y359-R402 HydrophobicContact CD2-CG 4.26Å; Y359-R402 HydrophobicContact CE1-CB 3.89Å; Y359-R402 HydrophobicContact CE1-CG 4.18Å; Y359-R402 HydrophobicContact CE2-CB 4.4Å; Y359-R402 HydrophobicContact CE2-CG 3.81Å; Y359-R402 WeakPolarHBondContact OH-CD 3.36Å
360	F	92.7	Very high	94.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.6	162.9	66.4	-82.5	0	0	0	111.3	L349 L368 Y400 V401 F403 Y415 I436	L349-F360 CarbonylContact O-C 3.54Å; L349-F360 WeakPolarHBondContact O-CA 3.16Å; F360-L368 HydrophobicContact CD2-CD1 3.58Å; F360-L368 HydrophobicContact CD2-CD2 4.4Å; F360-L368 HydrophobicContact CE2-CD1 3.61Å; F360-L368 HydrophobicContact CE2-CD2 4.3Å; F360-L368 HydrophobicContact CE2-CG 4.35Å; F360-Y400 CarbonylContact O-C 3.54Å; F360-Y400 WeakPolarHBondContact O-CA 3.46Å; F360-Y400 WeakPolarHBondContact O-CB 3.23Å; F360-V401 HydrophobicContact CD1-CB 3.97Å; F360-V401 HydrophobicContact CD1-CG1 4.34Å; F360-V401 HydrophobicContact CD2-CB 4.49Å; F360-V401 HydrophobicContact CE1-CB 3.31Å; F360-V401 HydrophobicContact CE1-CG1 3.38Å; F360-V401 HydrophobicContact CE1-CG2 4.25Å; F360-V401 HydrophobicContact CE2-CB 3.92Å; F360-V401 HydrophobicContact CE2-CG2 4.08Å; F360-V401 HydrophobicContact CZ-CB 3.3Å; F360-V401 HydrophobicContact CZ-CG1 3.57Å; F360-V401 HydrophobicContact CZ-CG2 3.73Å; F360-V401 PolarHBondContact N-O 2.89Å; F360-V401 PolarHBondContact O-N 3.27Å; F360-F403 HydrophobicContact CD1-CD2 4.32Å; F360-F403 AromaticContact CD1-CE2 3.97Å; F360-F403 HydrophobicContact CD1-CE2 3.97Å; F360-F403 HydrophobicContact CD1-CZ 4.16Å; F360-F403 HydrophobicContact CE1-CD1 4.25Å; F360-F403 HydrophobicContact CE1-CD2 4.16Å; F360-F403 AromaticContact CE1-CE1 3.65Å; F360-F403 HydrophobicContact CE1-CE1 3.65Å; F360-F403 AromaticContact CE1-CE2 3.55Å; F360-F403 HydrophobicContact CE1-CE2 3.55Å; F360-F403 HydrophobicContact CE1-CG 4.49Å; F360-F403 AromaticContact CE1-CZ 3.28Å; F360-F403 HydrophobicContact CE1-CZ 3.28Å; F360-F403 HydrophobicContact CZ-CE1 4.34Å; F360-F403 HydrophobicContact CZ-CE2 4.45Å; F360-F403 AromaticContact CZ-CZ 3.91Å; F360-F403 HydrophobicContact CZ-CZ 3.91Å; F360-Y415 WeakPolarHBondContact CB-OH 3.38Å; F360-I436 HydrophobicContact CD2-CG2 4.42Å; F360-I436 HydrophobicContact CE2-CG2 3.79Å; F360-I436 HydrophobicContact CZ-CG2 4.17Å
361	H	93.7	Very high	93.9	Very high	49 Å²	49	39 Å²	39	23%	0.227	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.8	-171.8	-65.4	-107.6	0	0	0	109.9	L348 L349 Y400	L348-H361 WeakPolarHBondContact CA-O 3.28Å; L349-H361 HydrophobicContact CB-CB 4.4Å; L349-H361 PolarHBondContact N-O 2.75Å; L349-H361 PolarHBondContact O-N 2.79Å; H361-Y400 AromaticContact CE1-CG 3.93Å; H361-Y400 WeakPolarHBondContact ND1-CB 3.33Å
362	S	93.7	Very high	93.7	Very high	22 Å²	22	42.6 Å²	42.6	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.7	161.4	-169.5	0	0	0	0	109.2	T364 D366 S399	S362-T364 VanDerWaalsContact C-N 3.26Å; S362-T364 PolarHBondContact OG-N 2.98Å; S362-T364 PolarHBondContact OG-O 2.87Å; S362-T364 PolarHBondContact OG-OG1 3.41Å; S362-D366 VanDerWaalsContact CB-O 3.3Å; S362-D366 WeakPolarHBondContact CB-O 3.3Å; S362-D366 PolarHBondContact OG-O 3.18Å; S362-S399 PolarHBondContact N-O 3.02Å
363	L	92.3	Very high	93.4	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.215	25%	0.254	C	S	.	.	S	Bend	trans	-84.4	-6.9	167.4	-65.1	177.5	0	0	0	111.8	V342 S346 N347 L349 Y651 F653	V342-L363 HydrophobicContact CG1-CD1 4.22Å; S346-L363 WeakPolarHBondContact O-CD1 3.32Å; N347-L363 PolarHBondContact O-N 3.09Å; L349-L363 HydrophobicContact CB-CD1 4.07Å; L349-L363 HydrophobicContact CB-CD2 3.97Å; L349-L363 HydrophobicContact CB-CG 3.92Å; L349-L363 HydrophobicContact CD2-CD2 4.28Å; L363-Y651 HydrophobicContact CD1-CD2 4.35Å; L363-Y651 HydrophobicContact CD1-CE2 4.38Å; L363-F653 HydrophobicContact CD1-CZ 4.19Å; L363-F653 HydrophobicContact CD2-CE1 4.27Å
364	T	90.6	Very high	93.1	Very high	39 Å²	39	47.9 Å²	47.9	24%	0.239	28%	0.276	C	S	.	.	S	Bend	trans	-102.5	160.4	174.8	56.1	0	0	0	0	111	N347 S362 D366	N347-T364 HydrophobicContact CB-CG2 3.88Å; N347-T364 WeakPolarHBondContact OD1-CG2 3.5Å; S362-T364 VanDerWaalsContact C-N 3.26Å; S362-T364 PolarHBondContact OG-N 2.98Å; S362-T364 PolarHBondContact OG-O 2.87Å; S362-T364 PolarHBondContact OG-OG1 3.41Å; T364-D366 PolarHBondContact O-N 3.05Å
365	P	90	Very high	92.9	Very high	133 Å²	133	49.8 Å²	49.8	86%	0.864	29%	0.289	S	S	*	.	S	Bend	trans	-61	-20.5	173.1	-23.5	35	0	0	0	113.8	P367	P365-P367 WeakPolarHBondContact O-CD 3.24Å
366	D	89.5	Confident	92.7	Very high	117 Å²	117	50.9 Å²	50.9	63%	0.626	29%	0.292	S	S	*	.	S	Bend	trans	-68.7	119.8	-179.8	-62	-30.4	0	0	0	110.3	S362 T364	S362-D366 VanDerWaalsContact CB-O 3.3Å; S362-D366 WeakPolarHBondContact CB-O 3.3Å; S362-D366 PolarHBondContact OG-O 3.18Å; T364-D366 PolarHBondContact O-N 3.05Å
367	P	90.5	Very high	92.3	Very high	64 Å²	64	52 Å²	52	42%	0.416	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-74	154.8	-179.8	31.9	-35.6	0	0	0	111.2	P365 K369 A397	P365-P367 WeakPolarHBondContact O-CD 3.24Å; P367-K369 PolarHBondContact O-N 2.88Å; P367-A397 HydrophobicContact CB-CB 3.99Å; P367-A397 HydrophobicContact CG-CB 3.95Å
368	L	91	Very high	92.1	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.105	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.3	177.6	-56	163.8	0	0	0	108.9	L348 F360 A397 K398 V401 R439	L348-L368 HydrophobicContact CD2-CD2 3.55Å; F360-L368 HydrophobicContact CD2-CD1 3.58Å; F360-L368 HydrophobicContact CD2-CD2 4.4Å; F360-L368 HydrophobicContact CE2-CD1 3.61Å; F360-L368 HydrophobicContact CE2-CD2 4.3Å; F360-L368 HydrophobicContact CE2-CG 4.35Å; L368-A397 WeakPolarHBondContact O-CA 3.29Å; L368-K398 WeakPolarHBondContact CB-O 3.23Å; L368-K398 PolarHBondContact N-O 3.33Å; L368-K398 PolarHBondContact O-N 3.43Å; L368-V401 HydrophobicContact CD1-CG2 4.31Å; L368-R439 PolarHBondContact O-NH2 3.34Å
369	K	91.7	Very high	91.8	Very high	72 Å²	72	64.3 Å²	64.3	31%	0.313	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	153.3	173.7	-56	-176.3	-174.6	-174.3	0	110.3	P367 W392 E394 A397	P367-K369 PolarHBondContact O-N 2.88Å; K369-W392 HydrophobicContact CB-CB 4.08Å; K369-W392 HydrophobicContact CB-CD2 4.32Å; K369-W392 HydrophobicContact CB-CE3 3.87Å; K369-W392 HydrophobicContact CB-CG 4.4Å; K369-W392 HydrophobicContact CD-CB 4.03Å; K369-E394 IonicContact NZ-OE1 2.75Å; K369-E394 PolarHBondContact NZ-OE1 3.38Å; K369-A397 HydrophobicContact CG-CB 4.44Å
370	C	92.8	Very high	91.6	Very high	22 Å²	22	63.9 Å²	63.9	15%	0.149	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	150.1	170.9	-165.8	0	0	0	0	109.2	W392 D393 S396 P437 R439	C370-W392 VanDerWaalsContact C-CE3 3.49Å; C370-D393 PolarHBondContact O-N 3.11Å; C370-S396 VanDerWaalsContact CB-OG 3.23Å; C370-S396 WeakPolarHBondContact CB-OG 3.22Å; C370-S396 PolarHBondContact N-OG 2.82Å; C370-P437 PolarHBondContact SG-O 2.75Å; C370-P437 VanDerWaalsContact SG-O 3.36Å; C370-R439 HydrophobicContact CB-CG 4.47Å
371	L	92.7	Very high	91.5	Very high	35 Å²	35	67.1 Å²	67.1	18%	0.183	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	146	165.8	-74.5	171.6	0	0	0	110.3	M391 W392 P437 L438	L371-M391 HydrophobicContact CD2-CB 4.2Å; L371-M391 HydrophobicContact CD2-CE 4.11Å; L371-W392 HydrophobicContact CD2-CD2 4.16Å; L371-W392 HydrophobicContact CD2-CE3 4.11Å; L371-W392 HydrophobicContact CD2-CH2 4.15Å; L371-W392 HydrophobicContact CD2-CZ2 4.18Å; L371-W392 HydrophobicContact CD2-CZ3 4.11Å; L371-W392 HydrophobicContact CG-CE3 4.26Å; L371-W392 HydrophobicContact CG-CH2 4.23Å; L371-W392 HydrophobicContact CG-CZ3 3.96Å; L371-P437 HydrophobicContact CD1-CB 3.6Å; L371-P437 HydrophobicContact CG-CB 3.83Å; L371-P437 PolarHBondContact N-O 3.35Å; L371-L438 HydrophobicContact CB-CD2 4.25Å; L371-L438 HydrophobicContact CD1-CD2 3.67Å; L371-L438 HydrophobicContact CD1-CG 4.3Å
372	R	93.7	Very high	91.3	Very high	77 Å²	77	70.5 Å²	70.5	29%	0.291	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-62.2	154.7	168.5	-71.4	-175.3	-171.7	-172.9	11.7	110.6	E376 L377 E390 M391 W392 D393	R372-E376 HydrophobicContact CB-CB 4.15Å; R372-E376 WeakPolarHBondContact CD-OE2 3.09Å; R372-L377 HydrophobicContact CB-CD2 3.95Å; R372-L377 HydrophobicContact CB-CG 4.05Å; R372-L377 VanDerWaalsContact O-CD1 3.24Å; R372-L377 WeakPolarHBondContact O-CD1 3.39Å; R372-E390 WeakPolarHBondContact CD-O 3.26Å; R372-E390 PolarHBondContact NE-O 3.32Å; R372-E390 PolarHBondContact NH2-O 2.9Å; R372-M391 PolarHBondContact N-O 2.94Å; R372-W392 PolarHBondContact NE-O 2.76Å; R372-W392 VanDerWaalsContact NE-O 3.15Å; R372-D393 HydrophobicContact CG-CB 4.02Å
373	P	91.8	Very high	91.1	Very high	67 Å²	67	76.6 Å²	76.6	44%	0.435	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-59.8	152.4	174.9	26.5	-34.9	0	0	0	111.1	S375 E376 L377	P373-S375 PolarHBondContact O-N 2.96Å; P373-S375 VanDerWaalsContact O-N 3.1Å; P373-E376 HydrophobicContact CG-CB 4.28Å; P373-E376 HydrophobicContact CG-CG 3.98Å; P373-E376 WeakPolarHBondContact CG-OE1 3.19Å; P373-E376 PolarHBondContact O-N 2.83Å; P373-L377 PolarHBondContact O-N 2.75Å; P373-L377 VanDerWaalsContact O-N 3.16Å
374	A	90.2	Very high	91	Very high	64 Å²	64	76.2 Å²	76.2	53%	0.529	44%	0.442	S	S	.	.	H	α-helix	trans	-52	-39.3	-175.2	0	0	0	0	0	113.3	E376 L377 E378	A374-E376 VanDerWaalsContact C-N 3.28Å; A374-E376 PolarHBondContact O-N 2.82Å; A374-L377 PolarHBondContact O-N 2.87Å; A374-E378 WeakPolarHBondContact O-CB 3.3Å; A374-E378 VanDerWaalsContact O-CG 3.31Å; A374-E378 WeakPolarHBondContact O-CG 3.45Å; A374-E378 PolarHBondContact O-N 3.45Å
375	S	92.5	Very high	91	Very high	88 Å²	88	82.7 Å²	82.7	62%	0.615	48%	0.475	S	S	*	.	H	α-helix	trans	-61.1	-32.1	178.5	53.9	0	0	0	0	114.4	P373	P373-S375 PolarHBondContact O-N 2.96Å; P373-S375 VanDerWaalsContact O-N 3.1Å
376	E	91	Very high	91	Very high	88 Å²	88	82.5 Å²	82.5	41%	0.411	46%	0.463	S	S	.	.	H	α-helix	trans	-82.4	-38.8	176.4	-71.7	178.1	-147.5	0	0	111	R372 P373 A374 E378 S379	R372-E376 HydrophobicContact CB-CB 4.15Å; R372-E376 WeakPolarHBondContact CD-OE2 3.09Å; P373-E376 HydrophobicContact CG-CB 4.28Å; P373-E376 HydrophobicContact CG-CG 3.98Å; P373-E376 WeakPolarHBondContact CG-OE1 3.19Å; P373-E376 PolarHBondContact O-N 2.83Å; A374-E376 VanDerWaalsContact C-N 3.28Å; A374-E376 PolarHBondContact O-N 2.82Å; E376-E378 VanDerWaalsContact C-N 3.33Å; E376-E378 PolarHBondContact O-N 2.54Å; E376-S379 PolarHBondContact O-N 3.08Å; E376-S379 VanDerWaalsContact O-N 3.14Å; E376-S379 PolarHBondContact O-OG 3.32Å
377	L	90.2	Very high	91	Very high	49 Å²	49	78.7 Å²	78.7	26%	0.257	44%	0.443	S	S	.	.	H	α-helix	trans	-62.7	-39.1	176.7	-67.7	177.7	0	0	0	112.3	R372 P373 A374 S379 L380 M391	R372-L377 HydrophobicContact CB-CD2 3.95Å; R372-L377 HydrophobicContact CB-CG 4.05Å; R372-L377 VanDerWaalsContact O-CD1 3.24Å; R372-L377 WeakPolarHBondContact O-CD1 3.39Å; P373-L377 PolarHBondContact O-N 2.75Å; P373-L377 VanDerWaalsContact O-N 3.16Å; A374-L377 PolarHBondContact O-N 2.87Å; L377-S379 PolarHBondContact O-N 3.32Å; L377-L380 HydrophobicContact CD2-CD1 3.85Å; L377-L380 WeakPolarHBondContact O-CB 3.43Å; L377-L380 PolarHBondContact O-N 2.83Å; L377-L380 VanDerWaalsContact O-N 3.12Å; L377-M391 HydrophobicContact CD2-CB 3.95Å; L377-M391 HydrophobicContact CD2-CG 3.98Å; L377-M391 WeakPolarHBondContact CD2-O 3.44Å
378	E	91.7	Very high	90.8	Very high	165 Å²	165	81.9 Å²	81.9	77%	0.771	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-23.4	176	-76.8	172.1	-167.6	0	0	113.2	A374 E376	A374-E378 WeakPolarHBondContact O-CB 3.3Å; A374-E378 VanDerWaalsContact O-CG 3.31Å; A374-E378 WeakPolarHBondContact O-CG 3.45Å; A374-E378 PolarHBondContact O-N 3.45Å; E376-E378 VanDerWaalsContact C-N 3.33Å; E376-E378 PolarHBondContact O-N 2.54Å
379	S	90.7	Very high	90.7	Very high	96 Å²	96	84.8 Å²	84.8	67%	0.671	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.8	178	75.6	0	0	0	0	114	E376 L377	E376-S379 PolarHBondContact O-N 3.08Å; E376-S379 VanDerWaalsContact O-N 3.14Å; E376-S379 PolarHBondContact O-OG 3.32Å; L377-S379 PolarHBondContact O-N 3.32Å
380	L	90.9	Very high	90.6	Very high	32 Å²	32	84.2 Å²	84.2	17%	0.168	47%	0.473	C	S	.	.	S	Bend	trans	-76.8	143.6	-179	-61.8	177.7	0	0	0	111.3	L377 V382 L387 E390 M391	L377-L380 HydrophobicContact CD2-CD1 3.85Å; L377-L380 WeakPolarHBondContact O-CB 3.43Å; L377-L380 PolarHBondContact O-N 2.83Å; L377-L380 VanDerWaalsContact O-N 3.12Å; L380-V382 PolarHBondContact O-N 2.81Å; L380-L387 HydrophobicContact CB-CD1 3.91Å; L380-L387 HydrophobicContact CD1-CD1 4.18Å; L380-E390 HydrophobicContact CD1-CB 3.98Å; L380-E390 HydrophobicContact CD2-CB 3.95Å; L380-M391 HydrophobicContact CD1-CG 4.14Å
381	S	90.5	Very high	90.6	Very high	70 Å²	70	86 Å²	86	49%	0.49	48%	0.48	S	S	.	.			trans	-79.7	119.9	174.9	176.7	0	0	0	0	109.7	D383 S384	S381-D383 PolarHBondContact O-N 2.91Å; S381-D383 VanDerWaalsContact O-N 3.14Å; S381-D383 PolarHBondContact OG-N 3.25Å; S381-S384 WeakPolarHBondContact O-CB 3.26Å; S381-S384 PolarHBondContact O-N 2.9Å
382	V	88.8	Confident	90.6	Very high	120 Å²	120	87.8 Å²	87.8	73%	0.727	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	176.6	-178.3	0	0	0	0	112.1	L380 S384	L380-V382 PolarHBondContact O-N 2.81Å; V382-S384 VanDerWaalsContact C-N 3.28Å; V382-S384 PolarHBondContact O-N 3.29Å
383	D	90.3	Very high	90.5	Very high	149 Å²	149	86.5 Å²	86.5	80%	0.797	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	6.3	177.5	-59.3	-36.8	0	0	0	113.4	S381 D385	S381-D383 PolarHBondContact O-N 2.91Å; S381-D383 VanDerWaalsContact O-N 3.14Å; S381-D383 PolarHBondContact OG-N 3.25Å; D383-D385 PolarHBondContact O-N 2.92Å
384	S	90.4	Very high	90.3	Very high	33 Å²	33	88.9 Å²	88.9	23%	0.231	49%	0.488	C	S	.	.			trans	-69.1	126.8	176.7	-178.5	0	0	0	0	110.5	S381 V382 E386 L387 E390	S381-S384 WeakPolarHBondContact O-CB 3.26Å; S381-S384 PolarHBondContact O-N 2.9Å; V382-S384 VanDerWaalsContact C-N 3.28Å; V382-S384 PolarHBondContact O-N 3.29Å; S384-E386 PolarHBondContact O-N 2.8Å; S384-E386 PolarHBondContact OG-N 3.28Å; S384-L387 WeakPolarHBondContact O-CB 3.11Å; S384-L387 PolarHBondContact O-N 3.45Å; S384-E390 WeakPolarHBondContact CB-OE2 3.32Å; S384-E390 PolarHBondContact OG-OE2 3.42Å
385	D	90.8	Very high	90.4	Very high	175 Å²	175	90.9 Å²	90.9	94%	0.936	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.8	174.4	-69.8	-34.1	0	0	0	112.2	D383	D383-D385 PolarHBondContact O-N 2.92Å
386	E	88.9	Confident	90.3	Very high	129 Å²	129	87.3 Å²	87.3	60%	0.603	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	12.7	-179.5	-62.4	-173.5	179.8	0	0	112.9	S384 D388 V389 E390	S384-E386 PolarHBondContact O-N 2.8Å; S384-E386 PolarHBondContact OG-N 3.28Å; E386-D388 PolarHBondContact O-N 3.08Å; E386-D388 VanDerWaalsContact O-N 3.14Å; E386-V389 WeakPolarHBondContact O-CA 3.43Å; E386-V389 WeakPolarHBondContact O-CB 3.26Å; E386-V389 PolarHBondContact O-N 2.99Å; E386-E390 HydrophobicContact CB-CG 4.38Å; E386-E390 WeakPolarHBondContact O-CG 3.5Å; E386-E390 PolarHBondContact O-N 3.14Å
387	L	90.5	Very high	90.4	Very high	38 Å²	38	85 Å²	85	20%	0.199	47%	0.47	C	S	.	.	H	α-helix	trans	-50.9	-43.6	-176.5	-178	65.7	0	0	0	112.4	L380 S384 V389 E390 M391	L380-L387 HydrophobicContact CB-CD1 3.91Å; L380-L387 HydrophobicContact CD1-CD1 4.18Å; S384-L387 WeakPolarHBondContact O-CB 3.11Å; S384-L387 PolarHBondContact O-N 3.45Å; L387-V389 PolarHBondContact O-N 2.89Å; L387-V389 VanDerWaalsContact O-N 3.15Å; L387-E390 PolarHBondContact O-N 2.82Å; L387-E390 VanDerWaalsContact O-N 3.16Å; L387-M391 HydrophobicContact CD1-CG 4.11Å; L387-M391 HydrophobicContact CD1-SD 4.47Å; L387-M391 HydrophobicContact CG-CG 4.22Å; L387-M391 HydrophobicContact CG-SD 4.04Å; L387-M391 WeakPolarHBondContact O-CG 3.48Å; L387-M391 PolarHBondContact O-N 2.89Å
388	D	86.3	Confident	90.5	Very high	130 Å²	130	88.4 Å²	88.4	70%	0.695	48%	0.482	S	S	*	.	H	α-helix	trans	-58.8	-27.1	179.1	-77.4	-24.1	0	0	0	113.3	E386 W392	E386-D388 PolarHBondContact O-N 3.08Å; E386-D388 VanDerWaalsContact O-N 3.14Å; D388-W392 PolarHBondContact O-NE1 2.91Å; D388-W392 VanDerWaalsContact O-NE1 3.12Å
389	V	88.3	Confident	90.4	Very high	82 Å²	82	84.3 Å²	84.3	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-89.9	-42.4	176	-178.2	0	0	0	0	110.1	E386 L387 M391 W392	E386-V389 WeakPolarHBondContact O-CA 3.43Å; E386-V389 WeakPolarHBondContact O-CB 3.26Å; E386-V389 PolarHBondContact O-N 2.99Å; L387-V389 PolarHBondContact O-N 2.89Å; L387-V389 VanDerWaalsContact O-N 3.15Å; V389-M391 VanDerWaalsContact C-N 3.27Å; V389-M391 PolarHBondContact O-N 3.23Å; V389-W392 PolarHBondContact O-N 3.48Å
390	E	90.6	Very high	90.4	Very high	59 Å²	59	85.3 Å²	85.3	28%	0.276	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-30.5	-178.5	-68.8	-179.9	145.7	0	0	113.2	R372 L380 S384 E386 L387 W392	R372-E390 WeakPolarHBondContact CD-O 3.26Å; R372-E390 PolarHBondContact NE-O 3.32Å; R372-E390 PolarHBondContact NH2-O 2.9Å; L380-E390 HydrophobicContact CD1-CB 3.98Å; L380-E390 HydrophobicContact CD2-CB 3.95Å; S384-E390 WeakPolarHBondContact CB-OE2 3.32Å; S384-E390 PolarHBondContact OG-OE2 3.42Å; E386-E390 HydrophobicContact CB-CG 4.38Å; E386-E390 WeakPolarHBondContact O-CG 3.5Å; E386-E390 PolarHBondContact O-N 3.14Å; L387-E390 PolarHBondContact O-N 2.82Å; L387-E390 VanDerWaalsContact O-N 3.16Å; E390-W392 PolarHBondContact O-N 3.06Å
391	M	92.1	Very high	90.5	Very high	59 Å²	59	84.4 Å²	84.4	29%	0.291	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-23	178.1	-74.7	173.6	64	0	0	113.9	L371 R372 L377 L380 L387 V389	L371-M391 HydrophobicContact CD2-CB 4.2Å; L371-M391 HydrophobicContact CD2-CE 4.11Å; R372-M391 PolarHBondContact N-O 2.94Å; L377-M391 HydrophobicContact CD2-CB 3.95Å; L377-M391 HydrophobicContact CD2-CG 3.98Å; L377-M391 WeakPolarHBondContact CD2-O 3.44Å; L380-M391 HydrophobicContact CD1-CG 4.14Å; L387-M391 HydrophobicContact CD1-CG 4.11Å; L387-M391 HydrophobicContact CD1-SD 4.47Å; L387-M391 HydrophobicContact CG-CG 4.22Å; L387-M391 HydrophobicContact CG-SD 4.04Å; L387-M391 WeakPolarHBondContact O-CG 3.48Å; L387-M391 PolarHBondContact O-N 2.89Å; V389-M391 VanDerWaalsContact C-N 3.27Å; V389-M391 PolarHBondContact O-N 3.23Å
392	W	91.7	Very high	90.7	Very high	73 Å²	73	86.6 Å²	86.6	28%	0.277	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	144	-176.3	-57.9	91.7	0	0	0	111.8	K369 C370 L371 R372 D388 V389 E390 E394 P437	K369-W392 HydrophobicContact CB-CB 4.08Å; K369-W392 HydrophobicContact CB-CD2 4.32Å; K369-W392 HydrophobicContact CB-CE3 3.87Å; K369-W392 HydrophobicContact CB-CG 4.4Å; K369-W392 HydrophobicContact CD-CB 4.03Å; C370-W392 VanDerWaalsContact C-CE3 3.49Å; L371-W392 HydrophobicContact CD2-CD2 4.16Å; L371-W392 HydrophobicContact CD2-CE3 4.11Å; L371-W392 HydrophobicContact CD2-CH2 4.15Å; L371-W392 HydrophobicContact CD2-CZ2 4.18Å; L371-W392 HydrophobicContact CD2-CZ3 4.11Å; L371-W392 HydrophobicContact CG-CE3 4.26Å; L371-W392 HydrophobicContact CG-CH2 4.23Å; L371-W392 HydrophobicContact CG-CZ3 3.96Å; R372-W392 PolarHBondContact NE-O 2.76Å; R372-W392 VanDerWaalsContact NE-O 3.15Å; D388-W392 PolarHBondContact O-NE1 2.91Å; D388-W392 VanDerWaalsContact O-NE1 3.12Å; V389-W392 PolarHBondContact O-N 3.48Å; E390-W392 PolarHBondContact O-N 3.06Å; W392-E394 PolarHBondContact O-N 2.86Å; W392-P437 HydrophobicContact CH2-CB 3.75Å; W392-P437 HydrophobicContact CH2-CG 4.18Å; W392-P437 HydrophobicContact CZ3-CB 3.91Å
393	D	91.7	Very high	91	Very high	51 Å²	51	81.2 Å²	81.2	27%	0.273	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	104.4	168.6	177.1	11.5	0	0	0	109.2	C370 R372 S395 S396	C370-D393 PolarHBondContact O-N 3.11Å; R372-D393 HydrophobicContact CG-CB 4.02Å; D393-S395 PolarHBondContact O-N 2.59Å; D393-S395 VanDerWaalsContact OD1-CB 3.29Å; D393-S395 WeakPolarHBondContact OD1-CB 3.36Å; D393-S395 PolarHBondContact OD1-N 2.92Å; D393-S395 PolarHBondContact OD1-OG 3.41Å; D393-S395 PolarHBondContact OD2-OG 2.99Å; D393-S395 VanDerWaalsContact OD2-OG 3.07Å; D393-S396 WeakPolarHBondContact O-CB 3.35Å; D393-S396 PolarHBondContact O-N 2.86Å; D393-S396 VanDerWaalsContact O-N 3.16Å; D393-S396 PolarHBondContact O-OG 3.25Å; D393-S396 WeakPolarHBondContact OD2-CB 3.44Å
394	E	88.8	Confident	91.2	Very high	117 Å²	117	78.3 Å²	78.3	55%	0.547	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-28.8	177.4	-59.4	-147.4	124.4	0	0	113	K369 W392 S396 A397	K369-E394 IonicContact NZ-OE1 2.75Å; K369-E394 PolarHBondContact NZ-OE1 3.38Å; W392-E394 PolarHBondContact O-N 2.86Å; E394-S396 PolarHBondContact O-N 2.92Å; E394-A397 WeakPolarHBondContact O-CB 3.37Å; E394-A397 PolarHBondContact O-N 3.06Å
395	S	91.7	Very high	91.3	Very high	106 Å²	106	78 Å²	78	74%	0.741	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-22	177.7	80.1	0	0	0	0	112.2	D393 A397	D393-S395 PolarHBondContact O-N 2.59Å; D393-S395 VanDerWaalsContact OD1-CB 3.29Å; D393-S395 WeakPolarHBondContact OD1-CB 3.36Å; D393-S395 PolarHBondContact OD1-N 2.92Å; D393-S395 PolarHBondContact OD1-OG 3.41Å; D393-S395 PolarHBondContact OD2-OG 2.99Å; D393-S395 VanDerWaalsContact OD2-OG 3.07Å; S395-A397 VanDerWaalsContact C-N 3.26Å; S395-A397 PolarHBondContact O-N 3.09Å
396	S	91.1	Very high	91.6	Very high	13 Å²	13	70.3 Å²	70.3	9%	0.091	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-0.8	177.4	80.1	0	0	0	0	114.3	C370 D393 E394 K398 R439	C370-S396 VanDerWaalsContact CB-OG 3.23Å; C370-S396 WeakPolarHBondContact CB-OG 3.22Å; C370-S396 PolarHBondContact N-OG 2.82Å; D393-S396 WeakPolarHBondContact O-CB 3.35Å; D393-S396 PolarHBondContact O-N 2.86Å; D393-S396 VanDerWaalsContact O-N 3.16Å; D393-S396 PolarHBondContact O-OG 3.25Å; D393-S396 WeakPolarHBondContact OD2-CB 3.44Å; E394-S396 PolarHBondContact O-N 2.92Å; S396-K398 PolarHBondContact O-N 2.8Å; S396-R439 PolarHBondContact O-NH1 2.76Å; S396-R439 PolarHBondContact O-NH2 3.29Å
397	A	92	Very high	92	Very high	40 Å²	40	69 Å²	69	33%	0.331	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	119.1	-176.1	0	0	0	0	0	111.8	P367 L368 K369 E394 S395	P367-A397 HydrophobicContact CB-CB 3.99Å; P367-A397 HydrophobicContact CG-CB 3.95Å; L368-A397 WeakPolarHBondContact O-CA 3.29Å; K369-A397 HydrophobicContact CG-CB 4.44Å; E394-A397 WeakPolarHBondContact O-CB 3.37Å; E394-A397 PolarHBondContact O-N 3.06Å; S395-A397 VanDerWaalsContact C-N 3.26Å; S395-A397 PolarHBondContact O-N 3.09Å
398	K	91.9	Very high	92.3	Very high	120 Å²	120	67.7 Å²	67.7	52%	0.522	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.3	178.7	-66.4	177.5	-178	-179.3	0	110.6	L368 S396 Y400 V401	L368-K398 WeakPolarHBondContact CB-O 3.23Å; L368-K398 PolarHBondContact N-O 3.33Å; L368-K398 PolarHBondContact O-N 3.43Å; S396-K398 PolarHBondContact O-N 2.8Å; K398-Y400 VanDerWaalsContact C-N 3.26Å; K398-Y400 VanDerWaalsContact CB-O 3.26Å; K398-Y400 WeakPolarHBondContact CB-O 3.39Å; K398-Y400 PolarHBondContact O-N 3.25Å; K398-V401 HydrophobicContact CB-CG2 4.43Å
399	S	89.7	Confident	92.8	Very high	79 Å²	79	62.7 Å²	62.7	55%	0.552	35%	0.349	S	S	*	.	S	Bend	trans	-70.4	-26.6	173.3	54	0	0	0	0	112.6	S362	S362-S399 PolarHBondContact N-O 3.02Å
400	Y	91.8	Very high	93.3	Very high	117 Å²	117	58.8 Å²	58.8	46%	0.459	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.4	175.2	70.3	-89.8	0	0	0	111.5	Y359 F360 H361 K398	Y359-Y400 AromaticContact CD1-CD2 3.69Å; Y359-Y400 HydrophobicContact CD1-CD2 3.69Å; Y359-Y400 HydrophobicContact CD1-CE2 4.12Å; Y359-Y400 AromaticContact CE1-CD2 3.79Å; Y359-Y400 HydrophobicContact CE1-CD2 3.79Å; Y359-Y400 AromaticContact CE1-CE2 3.71Å; Y359-Y400 HydrophobicContact CE1-CE2 3.71Å; F360-Y400 CarbonylContact O-C 3.54Å; F360-Y400 WeakPolarHBondContact O-CA 3.46Å; F360-Y400 WeakPolarHBondContact O-CB 3.23Å; H361-Y400 AromaticContact CE1-CG 3.93Å; H361-Y400 WeakPolarHBondContact ND1-CB 3.33Å; K398-Y400 VanDerWaalsContact C-N 3.26Å; K398-Y400 VanDerWaalsContact CB-O 3.26Å; K398-Y400 WeakPolarHBondContact CB-O 3.39Å; K398-Y400 PolarHBondContact O-N 3.25Å
401	V	93.3	Very high	93.7	Very high	13 Å²	13	59.4 Å²	59.4	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.8	176.6	174.5	0	0	0	0	108.5	Y359 F360 L368 K398 F403 R439	Y359-V401 WeakPolarHBondContact CA-O 3.48Å; F360-V401 HydrophobicContact CD1-CB 3.97Å; F360-V401 HydrophobicContact CD1-CG1 4.34Å; F360-V401 HydrophobicContact CD2-CB 4.49Å; F360-V401 HydrophobicContact CE1-CB 3.31Å; F360-V401 HydrophobicContact CE1-CG1 3.38Å; F360-V401 HydrophobicContact CE1-CG2 4.25Å; F360-V401 HydrophobicContact CE2-CB 3.92Å; F360-V401 HydrophobicContact CE2-CG2 4.08Å; F360-V401 HydrophobicContact CZ-CB 3.3Å; F360-V401 HydrophobicContact CZ-CG1 3.57Å; F360-V401 HydrophobicContact CZ-CG2 3.73Å; F360-V401 PolarHBondContact N-O 2.89Å; F360-V401 PolarHBondContact O-N 3.27Å; L368-V401 HydrophobicContact CD1-CG2 4.31Å; K398-V401 HydrophobicContact CB-CG2 4.43Å; V401-F403 HydrophobicContact CG1-CD1 4.35Å; V401-F403 HydrophobicContact CG1-CE1 4.02Å; V401-R439 HydrophobicContact CG1-CG 4.28Å
402	R	94.4	Very high	94	Very high	115 Å²	115	56.7 Å²	56.7	43%	0.434	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.3	177.7	-177	-172.8	-176	166.2	5.5	109.7	D355 V358 Y359 C404	D355-R402 IonicContact OD2-NH2 3.72Å; D355-R402 PolarHBondContact OD2-NH2 3.42Å; V358-R402 CarbonylContact O-C 3.53Å; Y359-R402 HydrophobicContact CD1-CB 4.22Å; Y359-R402 HydrophobicContact CD2-CG 4.26Å; Y359-R402 HydrophobicContact CE1-CB 3.89Å; Y359-R402 HydrophobicContact CE1-CG 4.18Å; Y359-R402 HydrophobicContact CE2-CB 4.4Å; Y359-R402 HydrophobicContact CE2-CG 3.81Å; Y359-R402 WeakPolarHBondContact OH-CD 3.36Å; R402-C404 PolarHBondContact NE-SG 2.98Å; R402-C404 VanDerWaalsContact NE-SG 3.43Å
403	F	94.6	Very high	94.3	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.8	165.9	-66.5	-26.2	0	0	0	110.6	V358 F360 V401 W434 R439	V358-F403 HydrophobicContact CB-CB 4.29Å; V358-F403 PolarHBondContact N-O 3.4Å; V358-F403 VanDerWaalsContact N-O 3.08Å; V358-F403 PolarHBondContact O-N 2.86Å; F360-F403 HydrophobicContact CD1-CD2 4.32Å; F360-F403 AromaticContact CD1-CE2 3.97Å; F360-F403 HydrophobicContact CD1-CE2 3.97Å; F360-F403 HydrophobicContact CD1-CZ 4.16Å; F360-F403 HydrophobicContact CE1-CD1 4.25Å; F360-F403 HydrophobicContact CE1-CD2 4.16Å; F360-F403 AromaticContact CE1-CE1 3.65Å; F360-F403 HydrophobicContact CE1-CE1 3.65Å; F360-F403 AromaticContact CE1-CE2 3.55Å; F360-F403 HydrophobicContact CE1-CE2 3.55Å; F360-F403 HydrophobicContact CE1-CG 4.49Å; F360-F403 AromaticContact CE1-CZ 3.28Å; F360-F403 HydrophobicContact CE1-CZ 3.28Å; F360-F403 HydrophobicContact CZ-CE1 4.34Å; F360-F403 HydrophobicContact CZ-CE2 4.45Å; F360-F403 AromaticContact CZ-CZ 3.91Å; F360-F403 HydrophobicContact CZ-CZ 3.91Å; V401-F403 HydrophobicContact CG1-CD1 4.35Å; V401-F403 HydrophobicContact CG1-CE1 4.02Å; F403-W434 HydrophobicContact CB-CD2 4.13Å; F403-W434 HydrophobicContact CB-CE3 3.79Å; F403-W434 HydrophobicContact CB-CH2 4Å; F403-W434 HydrophobicContact CB-CZ2 4.3Å; F403-W434 HydrophobicContact CB-CZ3 3.72Å; F403-W434 HydrophobicContact CD1-CE3 4.34Å; F403-W434 HydrophobicContact CD2-CB 3.75Å; F403-W434 AromaticContact CD2-CD2 3.6Å; F403-W434 HydrophobicContact CD2-CD2 3.6Å; F403-W434 AromaticContact CD2-CE3 3.7Å; F403-W434 HydrophobicContact CD2-CE3 3.7Å; F403-W434 AromaticContact CD2-CG 3.61Å; F403-W434 HydrophobicContact CD2-CG 3.61Å; F403-W434 HydrophobicContact CD2-CZ3 4.5Å; F403-W434 HydrophobicContact CE2-CB 3.46Å; F403-W434 VanDerWaalsContact CE2-CB 3.46Å; F403-W434 HydrophobicContact CE2-CD2 4.24Å; F403-W434 HydrophobicContact CE2-CE3 4.34Å; F403-W434 AromaticContact CE2-CG 3.89Å; F403-W434 HydrophobicContact CE2-CG 3.89Å; F403-W434 HydrophobicContact CG-CD2 4.04Å; F403-W434 AromaticContact CG-CE3 3.7Å; F403-W434 HydrophobicContact CG-CE3 3.7Å; F403-W434 HydrophobicContact CG-CZ3 4.11Å; F403-W434 HydrophobicContact CZ-CB 4.3Å; F403-R439 VanDerWaalsContact CE1-C 3.46Å; F403-R439 VanDerWaalsContact CE1-CA 3.43Å; F403-R439 HydrophobicContact CE1-CB 3.85Å; F403-R439 HydrophobicContact CE1-CG 4.46Å; F403-R439 WeakPolarHBondContact CE1-O 3.13Å; F403-R439 HydrophobicContact CZ-CB 4.44Å
404	C	94.1	Very high	94.6	Very high	88 Å²	88	51.6 Å²	51.6	60%	0.595	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.8	178.1	-61	0	0	0	0	108.6	R402	R402-C404 PolarHBondContact NE-SG 2.98Å; R402-C404 VanDerWaalsContact NE-SG 3.43Å
405	G	93.4	Very high	95	Very high	28 Å²	28	46.7 Å²	46.7	29%	0.289	27%	0.268	S	S	.	.			trans	167.4	-25.2	176.5	0	0	0	0	0	114	R432	G405-R432 VanDerWaalsContact C-NE 3.32Å; G405-R432 VanDerWaalsContact O-CZ 3.22Å; G405-R432 PolarHBondContact O-NE 2.75Å; G405-R432 PolarHBondContact O-NH2 3.14Å
406	H	97.6	Very high	95.1	Very high	12 Å²	12	42 Å²	42	6%	0.056	24%	0.235	C	C	.	.			trans	-69.7	157.5	171.1	-78	-62.5	0	0	0	111.9	S356 V410 S424 S426 D428 T430	S356-H406 WeakPolarHBondContact CB-O 3.5Å; H406-V410 HydrophobicContact CB-CG2 4.33Å; H406-S424 PolarHBondContact CD2-OG 2.93Å; H406-S424 PolarHBondContact NE2-O 2.89Å; H406-S424 PolarHBondContact NE2-OG 2.83Å; H406-S426 VanDerWaalsContact ND1-CB 3.26Å; H406-S426 WeakPolarHBondContact ND1-CB 3.41Å; H406-D428 VanDerWaalsContact CA-OD2 3.22Å; H406-D428 WeakPolarHBondContact CA-OD2 3.34Å; H406-D428 WeakPolarHBondContact CB-OD2 3.39Å; H406-D428 IonicContact CE1-OD1 3.73Å; H406-D428 IonicContact CG-OD2 3.32Å; H406-D428 IonicContact ND1-OD1 3.01Å; H406-D428 PolarHBondContact ND1-OD1 2.91Å; H406-D428 IonicContact ND1-OD2 2.62Å; H406-D428 PolarHBondContact ND1-OD2 2.84Å; H406-T430 PolarHBondContact CE1-OG1 3.16Å; H406-T430 VanDerWaalsContact CE1-OG1 3.27Å; H406-T430 PolarHBondContact ND1-OG1 3.45Å
407	S	96	Very high	94.9	Very high	103 Å²	103	42.6 Å²	42.6	72%	0.72	24%	0.241	S	C	*	.	S	Bend	trans	-124.9	55.1	177.3	-61.9	0	0	0	0	111	D428	S407-D428 PolarHBondContact N-OD2 3.04Å
408	G	96.8	Very high	94.7	Very high	10 Å²	10	43.1 Å²	43.1	10%	0.103	24%	0.238	C	C	.	.	S	Bend	trans	162.7	167.3	-178.6	0	0	0	0	0	111.2	S356 S426	S356-G408 WeakPolarHBondContact CA-O 3.42Å; S356-G408 WeakPolarHBondContact CB-O 3.36Å; S356-G408 WeakPolarHBondContact OG-CA 3.32Å; S356-G408 PolarHBondContact OG-N 2.86Å; S356-G408 PolarHBondContact OG-O 3.28Å; G408-S426 PolarHBondContact O-OG 2.86Å
409	P	98	Very high	94.5	Very high	25 Å²	25	39.6 Å²	39.6	16%	0.162	22%	0.223	C	C	.	.			trans	-43.5	138.9	170.7	-28.5	33.9	0	0	0	113.3	Y411 S426 E427	P409-Y411 HydrophobicContact CB-CD1 4.37Å; P409-Y411 HydrophobicContact CB-CE1 3.75Å; P409-S426 CarbonylContact O-C 3.57Å; P409-S426 WeakPolarHBondContact O-CA 3.24Å; P409-S426 VanDerWaalsContact O-CB 3.31Å; P409-S426 WeakPolarHBondContact O-CB 3.33Å; P409-S426 PolarHBondContact O-OG 3Å; P409-E427 WeakPolarHBondContact CD-OE2 3.3Å; P409-E427 WeakPolarHBondContact CG-OE2 3.39Å; P409-E427 PolarHBondContact O-N 3.49Å
410	V	98.4	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.8	176.5	-179.4	0	0	0	0	109	C338 C339 Y353 V358 H406 V413 C425	C338-V410 WeakPolarHBondContact CB-O 3.47Å; C339-V410 PolarHBondContact SG-O 2.89Å; Y353-V410 PolarHBondContact O-N 2.97Å; V358-V410 HydrophobicContact CG2-CB 4.48Å; V358-V410 HydrophobicContact CG2-CG1 4.03Å; V358-V410 HydrophobicContact CG2-CG2 3.89Å; H406-V410 HydrophobicContact CB-CG2 4.33Å; V410-V413 HydrophobicContact CG1-CG1 3.99Å; V410-C425 CarbonylContact C-O 3.6Å; V410-C425 WeakPolarHBondContact CA-O 3.2Å; V410-C425 WeakPolarHBondContact CG1-O 3.37Å
411	Y	98.1	Very high	94.8	Very high	72 Å²	72	36 Å²	36	28%	0.282	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-23.4	-173.3	-63.7	-47.9	0	0	0	114.4	C339 P409 C425 E427 P451 L453	C339-Y411 WeakPolarHBondContact CB-O 3.25Å; P409-Y411 HydrophobicContact CB-CD1 4.37Å; P409-Y411 HydrophobicContact CB-CE1 3.75Å; Y411-C425 PolarHBondContact N-O 2.97Å; Y411-E427 HydrophobicContact CD2-CB 4.43Å; Y411-E427 HydrophobicContact CE2-CB 3.54Å; Y411-E427 HydrophobicContact CE2-CG 4.14Å; Y411-E427 PolarHBondContact OH-OE1 2.88Å; Y411-P451 HydrophobicContact CE2-CB 4.27Å; Y411-L453 CarbonylContact C-O 3.57Å; Y411-L453 WeakPolarHBondContact CB-O 3.47Å; Y411-L453 HydrophobicContact CD2-CD2 4.05Å; Y411-L453 HydrophobicContact CE2-CD2 4.31Å
412	G	98.1	Very high	94.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.3	178.5	0	0	0	0	0	112.1	S424 C425	G412-S424 CarbonylContact O-C 3.56Å; G412-S424 VanDerWaalsContact O-CA 3.25Å; G412-S424 WeakPolarHBondContact O-CA 3.33Å; G412-C425 VanDerWaalsContact CA-SG 3.56Å; G412-C425 PolarHBondContact N-O 2.82Å; G412-C425 PolarHBondContact N-SG 2.87Å; G412-C425 PolarHBondContact O-N 3.12Å
413	V	98.3	Very high	95.1	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.2	171.7	-70.9	0	0	0	0	109.1	D341 A350 V358 V410 L422 L423	D341-V413 HydrophobicContact CB-CG2 3.81Å; D341-V413 WeakPolarHBondContact CB-O 3.41Å; A350-V413 HydrophobicContact CB-CB 4.26Å; A350-V413 HydrophobicContact CB-CG2 4Å; V358-V413 HydrophobicContact CG1-CG1 4.11Å; V410-V413 HydrophobicContact CG1-CG1 3.99Å; V413-L422 HydrophobicContact CB-CD1 4.48Å; V413-L423 CarbonylContact C-O 3.58Å; V413-L423 WeakPolarHBondContact CA-O 3.39Å
414	S	98.1	Very high	95.3	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	128.8	177.8	179.7	0	0	0	0	112.5	D341 L422 L423 V455 E456 F457	D341-S414 VanDerWaalsContact OD2-CA 3.26Å; D341-S414 WeakPolarHBondContact OD2-CA 3.17Å; S414-L422 CarbonylContact O-C 3.48Å; S414-L422 WeakPolarHBondContact O-CA 3.35Å; S414-L423 PolarHBondContact N-O 3.06Å; S414-L423 PolarHBondContact O-N 2.88Å; S414-V455 WeakPolarHBondContact CB-O 3.25Å; S414-E456 WeakPolarHBondContact OG-CA 3.46Å; S414-F457 VanDerWaalsContact O-CD2 3.24Å; S414-F457 WeakPolarHBondContact O-CD2 3.43Å; S414-F457 VanDerWaalsContact O-CE2 3.25Å; S414-F457 WeakPolarHBondContact O-CE2 3.12Å; S414-F457 PolarHBondContact OG-N 3.44Å
415	Y	96.8	Very high	95.5	Very high	14 Å²	14	25.4 Å²	25.4	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	142.5	173.5	-76.3	-72.7	0	0	0	112.1	D341 L348 L349 A350 F360 L422 I436 F457	D341-Y415 HydrophobicContact CB-CD2 4.37Å; D341-Y415 WeakPolarHBondContact OD2-CD2 3.45Å; D341-Y415 PolarHBondContact OD2-N 2.96Å; L348-Y415 HydrophobicContact CB-CE1 4.23Å; L348-Y415 HydrophobicContact CB-CE2 4.26Å; L348-Y415 HydrophobicContact CD1-CE1 4.23Å; L349-Y415 PolarHBondContact O-OH 2.97Å; A350-Y415 HydrophobicContact CB-CD2 4.37Å; A350-Y415 HydrophobicContact CB-CE2 3.51Å; A350-Y415 WeakPolarHBondContact CB-OH 3.15Å; A350-Y415 PolarHBondContact N-OH 2.91Å; A350-Y415 VanDerWaalsContact N-OH 3.16Å; F360-Y415 WeakPolarHBondContact CB-OH 3.38Å; Y415-L422 HydrophobicContact CD1-CD1 3.79Å; Y415-L422 HydrophobicContact CD2-CD1 4.32Å; Y415-L422 HydrophobicContact CE1-CD1 3.84Å; Y415-L422 HydrophobicContact CE2-CD1 4.38Å; Y415-L422 HydrophobicContact CG-CD1 4.04Å; Y415-I436 HydrophobicContact CD1-CD1 3.69Å; Y415-I436 HydrophobicContact CE1-CD1 3.58Å; Y415-F457 WeakPolarHBondContact O-CD2 3.01Å
416	S	94.1	Very high	95.7	Very high	8 Å²	8	24 Å²	24	6%	0.056	13%	0.134	C	C	.	.			trans	-68.8	151.7	163.4	62.5	0	0	0	0	110.7	D418 K419 Q420 L421 F457	S416-D418 VanDerWaalsContact CB-OD1 3.31Å; S416-D418 WeakPolarHBondContact CB-OD1 3.12Å; S416-D418 PolarHBondContact O-N 3.04Å; S416-D418 VanDerWaalsContact O-N 3.16Å; S416-D418 PolarHBondContact OG-OD1 3.31Å; S416-K419 PolarHBondContact O-N 3.19Å; S416-Q420 PolarHBondContact OG-N 2.85Å; S416-L421 PolarHBondContact N-O 3.45Å; S416-L421 WeakPolarHBondContact OG-CB 3.49Å; S416-L421 PolarHBondContact OG-N 3.28Å; S416-L421 PolarHBondContact OG-O 3.29Å; S416-F457 VanDerWaalsContact N-CD2 3.33Å
417	A	87.7	Confident	95.8	Very high	25 Å²	25	27.9 Å²	27.9	21%	0.207	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.3	-178.3	0	0	0	0	0	113.8	K419 P459	A417-K419 VanDerWaalsContact C-N 3.33Å; A417-P459 WeakPolarHBondContact CB-O 3.41Å
418	D	87.2	Confident	95.8	Very high	51 Å²	51	24.2 Å²	24.2	27%	0.273	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.5	177	67.1	-4.6	0	0	0	114.1	S416 Q420	S416-D418 VanDerWaalsContact CB-OD1 3.31Å; S416-D418 WeakPolarHBondContact CB-OD1 3.12Å; S416-D418 PolarHBondContact O-N 3.04Å; S416-D418 VanDerWaalsContact O-N 3.16Å; S416-D418 PolarHBondContact OG-OD1 3.31Å; D418-Q420 HydrophobicContact CB-CG 4.27Å; D418-Q420 PolarHBondContact O-N 3.32Å; D418-Q420 PolarHBondContact O-NE2 2.97Å; D418-Q420 PolarHBondContact OD1-N 3.16Å; D418-Q420 VanDerWaalsContact OD1-N 3.14Å
419	K	88.6	Confident	95.8	Very high	47 Å²	47	24.2 Å²	24.2	20%	0.204	12%	0.123	C	C	.	.	S	Bend	trans	63.9	18.4	178.5	-50.4	154.6	-65	-165.5	0	113.9	D303 N345 L348 S416 A417 I436	D303-K419 IonicContact OD1-NZ 2.8Å; D303-K419 PolarHBondContact OD1-NZ 3.37Å; N345-K419 WeakPolarHBondContact ND2-CD 3.29Å; N345-K419 PolarHBondContact ND2-NZ 3.33Å; L348-K419 HydrophobicContact CD1-CB 4.2Å; S416-K419 PolarHBondContact O-N 3.19Å; A417-K419 VanDerWaalsContact C-N 3.33Å; K419-I436 VanDerWaalsContact O-CD1 3.28Å; K419-I436 WeakPolarHBondContact O-CD1 3.46Å
420	Q	91.1	Very high	95.8	Very high	82 Å²	82	23.9 Å²	23.9	38%	0.383	12%	0.12	S	C	.	.	S	Bend	trans	-91.5	-26.6	179	-59.4	-53.6	-48.1	0	0	112.6	S416 D418 I436 P437	S416-Q420 PolarHBondContact OG-N 2.85Å; D418-Q420 HydrophobicContact CB-CG 4.27Å; D418-Q420 PolarHBondContact O-N 3.32Å; D418-Q420 PolarHBondContact O-NE2 2.97Å; D418-Q420 PolarHBondContact OD1-N 3.16Å; D418-Q420 VanDerWaalsContact OD1-N 3.14Å; Q420-I436 PolarHBondContact O-N 2.86Å; Q420-P437 VanDerWaalsContact O-CD 3.32Å; Q420-P437 WeakPolarHBondContact O-CD 3.24Å
421	L	94.9	Very high	95.8	Very high	38 Å²	38	24 Å²	24	20%	0.199	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.9	-174.8	-56.1	171.4	0	0	0	110.9	S416 L433 W434 L442 F457	S416-L421 PolarHBondContact N-O 3.45Å; S416-L421 WeakPolarHBondContact OG-CB 3.49Å; S416-L421 PolarHBondContact OG-N 3.28Å; S416-L421 PolarHBondContact OG-O 3.29Å; L421-L433 HydrophobicContact CB-CD1 3.95Å; L421-L433 HydrophobicContact CD1-CD1 4.19Å; L421-L433 HydrophobicContact CD2-CD1 4.39Å; L421-L433 HydrophobicContact CD2-CG 4.49Å; L421-L433 HydrophobicContact CG-CD1 4.4Å; L421-W434 VanDerWaalsContact CA-O 3.26Å; L421-W434 WeakPolarHBondContact CA-O 3.33Å; L421-L442 HydrophobicContact CD2-CD1 3.74Å; L421-F457 HydrophobicContact CB-CE2 4.42Å; L421-F457 HydrophobicContact CB-CZ 3.94Å
422	L	97.3	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.7	172.2	-178.8	72.5	0	0	0	108.1	A350 V358 V413 S414 Y415 W434 I436	A350-L422 HydrophobicContact CB-CD1 3.69Å; A350-L422 HydrophobicContact CB-CD2 4.21Å; V358-L422 HydrophobicContact CG1-CD2 3.76Å; V413-L422 HydrophobicContact CB-CD1 4.48Å; S414-L422 CarbonylContact O-C 3.48Å; S414-L422 WeakPolarHBondContact O-CA 3.35Å; Y415-L422 HydrophobicContact CD1-CD1 3.79Å; Y415-L422 HydrophobicContact CD2-CD1 4.32Å; Y415-L422 HydrophobicContact CE1-CD1 3.84Å; Y415-L422 HydrophobicContact CE2-CD1 4.38Å; Y415-L422 HydrophobicContact CG-CD1 4.04Å; L422-W434 HydrophobicContact CB-CB 4.28Å; L422-W434 PolarHBondContact N-O 2.98Å; L422-W434 VanDerWaalsContact O-CD1 3.25Å; L422-W434 PolarHBondContact O-N 3.07Å; L422-I436 HydrophobicContact CB-CD1 4.28Å; L422-I436 HydrophobicContact CB-CG1 4.28Å
423	L	98.3	Very high	95.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.1	165.2	-75.9	165.2	0	0	0	109.2	V413 S414 I431 R432 L433 Y445 V455 F457 F464	V413-L423 CarbonylContact C-O 3.58Å; V413-L423 WeakPolarHBondContact CA-O 3.39Å; S414-L423 PolarHBondContact N-O 3.06Å; S414-L423 PolarHBondContact O-N 2.88Å; L423-I431 HydrophobicContact CD2-CG2 3.73Å; L423-R432 CarbonylContact C-O 3.58Å; L423-R432 VanDerWaalsContact CA-O 3.32Å; L423-R432 WeakPolarHBondContact CA-O 3.16Å; L423-L433 HydrophobicContact CD2-CB 4.25Å; L423-L433 HydrophobicContact CD2-CD1 3.91Å; L423-L433 HydrophobicContact CG-CD1 4.24Å; L423-Y445 HydrophobicContact CD2-CE2 4.32Å; L423-V455 HydrophobicContact CB-CG1 4.22Å; L423-V455 HydrophobicContact CB-CG2 3.82Å; L423-V455 HydrophobicContact CD1-CG2 3.79Å; L423-V455 HydrophobicContact CG-CG2 4.28Å; L423-F457 HydrophobicContact CB-CD2 4.32Å; L423-F457 HydrophobicContact CB-CE2 3.9Å; L423-F457 HydrophobicContact CB-CZ 4.41Å; L423-F457 HydrophobicContact CD1-CD1 3.71Å; L423-F457 HydrophobicContact CD1-CD2 3.57Å; L423-F457 HydrophobicContact CD1-CE1 3.59Å; L423-F457 HydrophobicContact CD1-CE2 3.48Å; L423-F457 VanDerWaalsContact CD1-CE2 3.48Å; L423-F457 HydrophobicContact CD1-CG 3.72Å; L423-F457 HydrophobicContact CD1-CZ 3.5Å; L423-F457 HydrophobicContact CD2-CZ 4.29Å; L423-F457 HydrophobicContact CG-CD2 3.93Å; L423-F457 HydrophobicContact CG-CE1 3.99Å; L423-F457 HydrophobicContact CG-CE2 3.35Å; L423-F457 HydrophobicContact CG-CZ 3.39Å; L423-F464 HydrophobicContact CD1-CB 3.45Å; L423-F464 VanDerWaalsContact CD1-CB 3.45Å; L423-F464 HydrophobicContact CD1-CD1 4.1Å; L423-F464 HydrophobicContact CD1-CD2 3.85Å; L423-F464 HydrophobicContact CD1-CG 3.56Å
424	S	98.5	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.3	164.1	63.5	0	0	0	0	110.5	H406 G412 I431 R432 W434	H406-S424 PolarHBondContact CD2-OG 2.93Å; H406-S424 PolarHBondContact NE2-O 2.89Å; H406-S424 PolarHBondContact NE2-OG 2.83Å; G412-S424 CarbonylContact O-C 3.56Å; G412-S424 VanDerWaalsContact O-CA 3.25Å; G412-S424 WeakPolarHBondContact O-CA 3.33Å; S424-I431 CarbonylContact O-C 3.53Å; S424-I431 VanDerWaalsContact O-CA 3.27Å; S424-I431 WeakPolarHBondContact O-CA 3.47Å; S424-R432 PolarHBondContact N-O 3.02Å; S424-R432 PolarHBondContact O-N 3.3Å; S424-W434 PolarHBondContact OG-NE1 2.99Å
425	C	98.3	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.3	175.6	72.7	0	0	0	0	111	V410 Y411 G412 T430 I431 V452 V455	V410-C425 CarbonylContact C-O 3.6Å; V410-C425 WeakPolarHBondContact CA-O 3.2Å; V410-C425 WeakPolarHBondContact CG1-O 3.37Å; Y411-C425 PolarHBondContact N-O 2.97Å; G412-C425 VanDerWaalsContact CA-SG 3.56Å; G412-C425 PolarHBondContact N-O 2.82Å; G412-C425 PolarHBondContact N-SG 2.87Å; G412-C425 PolarHBondContact O-N 3.12Å; C425-T430 WeakPolarHBondContact CA-O 3.2Å; C425-I431 HydrophobicContact CB-CG1 3.97Å; C425-V452 HydrophobicContact CB-CB 3.81Å; C425-V452 HydrophobicContact CB-CG1 3.52Å; C425-V452 PolarHBondContact SG-O 3.5Å; C425-V455 HydrophobicContact CB-CB 4Å; C425-V455 HydrophobicContact CB-CG1 3.85Å
426	S	98.3	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164	-167.1	174.5	0	0	0	0	113.1	H406 G408 P409 D428 S429 T430 V452	H406-S426 VanDerWaalsContact ND1-CB 3.26Å; H406-S426 WeakPolarHBondContact ND1-CB 3.41Å; G408-S426 PolarHBondContact O-OG 2.86Å; P409-S426 CarbonylContact O-C 3.57Å; P409-S426 WeakPolarHBondContact O-CA 3.24Å; P409-S426 VanDerWaalsContact O-CB 3.31Å; P409-S426 WeakPolarHBondContact O-CB 3.33Å; P409-S426 PolarHBondContact O-OG 3Å; S426-D428 WeakPolarHBondContact CB-OD1 3.44Å; S426-D428 PolarHBondContact O-N 2.78Å; S426-D428 PolarHBondContact OG-N 3.18Å; S426-S429 PolarHBondContact O-N 3Å; S426-S429 VanDerWaalsContact O-N 3.1Å; S426-T430 PolarHBondContact N-O 2.85Å; S426-V452 PolarHBondContact O-N 3.14Å
427	E	98	Very high	95.3	Very high	92 Å²	92	23.4 Å²	23.4	43%	0.43	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-28.3	166.5	-170.4	164.2	-142.4	0	0	113	P409 Y411 S429 P451	P409-E427 WeakPolarHBondContact CD-OE2 3.3Å; P409-E427 WeakPolarHBondContact CG-OE2 3.39Å; P409-E427 PolarHBondContact O-N 3.49Å; Y411-E427 HydrophobicContact CD2-CB 4.43Å; Y411-E427 HydrophobicContact CE2-CB 3.54Å; Y411-E427 HydrophobicContact CE2-CG 4.14Å; Y411-E427 PolarHBondContact OH-OE1 2.88Å; E427-S429 PolarHBondContact O-N 2.94Å; E427-P451 HydrophobicContact CG-CG 4.33Å
428	D	97.2	Very high	95.6	Very high	27 Å²	27	26.1 Å²	26.1	14%	0.144	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	5.8	175.8	72.5	14.2	0	0	0	114.6	H406 S407 S426 T430 R446	H406-D428 VanDerWaalsContact CA-OD2 3.22Å; H406-D428 WeakPolarHBondContact CA-OD2 3.34Å; H406-D428 WeakPolarHBondContact CB-OD2 3.39Å; H406-D428 IonicContact CE1-OD1 3.73Å; H406-D428 IonicContact CG-OD2 3.32Å; H406-D428 IonicContact ND1-OD1 3.01Å; H406-D428 PolarHBondContact ND1-OD1 2.91Å; H406-D428 IonicContact ND1-OD2 2.62Å; H406-D428 PolarHBondContact ND1-OD2 2.84Å; S407-D428 PolarHBondContact N-OD2 3.04Å; S426-D428 WeakPolarHBondContact CB-OD1 3.44Å; S426-D428 PolarHBondContact O-N 2.78Å; S426-D428 PolarHBondContact OG-N 3.18Å; D428-T430 VanDerWaalsContact CG-OG1 3.24Å; D428-T430 PolarHBondContact O-N 3.14Å; D428-T430 WeakPolarHBondContact OD1-CA 3.31Å; D428-T430 VanDerWaalsContact OD1-CB 3.29Å; D428-T430 WeakPolarHBondContact OD1-CB 3.21Å; D428-T430 PolarHBondContact OD1-N 3.36Å; D428-T430 PolarHBondContact OD1-OG1 3.36Å; D428-T430 PolarHBondContact OD2-OG1 3.31Å; D428-R446 PolarHBondContact O-NH1 3.11Å
429	S	96.9	Very high	95.9	Very high	10 Å²	10	25.9 Å²	25.9	7%	0.07	13%	0.125	C	C	.	.	S	Bend	trans	62	18	-179.5	10.5	0	0	0	0	114.2	S426 E427 R446 M449 A450	S426-S429 PolarHBondContact O-N 3Å; S426-S429 VanDerWaalsContact O-N 3.1Å; E427-S429 PolarHBondContact O-N 2.94Å; S429-R446 PolarHBondContact O-NH1 3.37Å; S429-R446 VanDerWaalsContact O-NH1 3.11Å; S429-R446 PolarHBondContact OG-NH1 2.94Å; S429-R446 VanDerWaalsContact OG-NH1 3.14Å; S429-R446 PolarHBondContact OG-NH2 3.39Å; S429-M449 PolarHBondContact OG-O 3.1Å; S429-A450 VanDerWaalsContact CB-O 3.25Å; S429-A450 WeakPolarHBondContact CB-O 3.26Å
430	T	97.7	Very high	96.2	Very high	17 Å²	17	26.8 Å²	26.8	10%	0.104	13%	0.134	C	C	.	.			trans	-108	149.9	174.5	73.5	0	0	0	0	111.7	H406 C425 S426 D428 Y445	H406-T430 PolarHBondContact CE1-OG1 3.16Å; H406-T430 VanDerWaalsContact CE1-OG1 3.27Å; H406-T430 PolarHBondContact ND1-OG1 3.45Å; C425-T430 WeakPolarHBondContact CA-O 3.2Å; S426-T430 PolarHBondContact N-O 2.85Å; D428-T430 VanDerWaalsContact CG-OG1 3.24Å; D428-T430 PolarHBondContact O-N 3.14Å; D428-T430 WeakPolarHBondContact OD1-CA 3.31Å; D428-T430 VanDerWaalsContact OD1-CB 3.29Å; D428-T430 WeakPolarHBondContact OD1-CB 3.21Å; D428-T430 PolarHBondContact OD1-N 3.36Å; D428-T430 PolarHBondContact OD1-OG1 3.36Å; D428-T430 PolarHBondContact OD2-OG1 3.31Å; T430-Y445 WeakPolarHBondContact CA-O 3.34Å
431	I	98.2	Very high	96.4	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.7	162.5	-55.8	116.2	0	0	0	107.1	L423 S424 C425 Y444 Y445 V452 V455 F464 T466 W476	L423-I431 HydrophobicContact CD2-CG2 3.73Å; S424-I431 CarbonylContact O-C 3.53Å; S424-I431 VanDerWaalsContact O-CA 3.27Å; S424-I431 WeakPolarHBondContact O-CA 3.47Å; C425-I431 HydrophobicContact CB-CG1 3.97Å; I431-Y444 CarbonylContact O-C 3.53Å; I431-Y444 WeakPolarHBondContact O-CA 3.23Å; I431-Y445 HydrophobicContact CB-CD2 4.06Å; I431-Y445 HydrophobicContact CG2-CD2 4.11Å; I431-Y445 PolarHBondContact N-O 2.95Å; I431-Y445 WeakPolarHBondContact O-CD2 3.3Å; I431-Y445 PolarHBondContact O-N 2.92Å; I431-V452 HydrophobicContact CD1-CG1 4.34Å; I431-V452 HydrophobicContact CD1-CG2 4.15Å; I431-V452 HydrophobicContact CG1-CB 4.48Å; I431-V452 HydrophobicContact CG1-CG1 4.02Å; I431-V452 HydrophobicContact CG1-CG2 4.28Å; I431-V455 HydrophobicContact CG2-CG2 4.03Å; I431-F464 HydrophobicContact CG2-CE2 4.08Å; I431-T466 HydrophobicContact CD1-CG2 3.69Å; I431-T466 HydrophobicContact CG1-CG2 3.84Å; I431-W476 HydrophobicContact CD1-CH2 4.42Å; I431-W476 HydrophobicContact CD1-CZ2 3.86Å
432	R	98	Very high	96.4	Very high	52 Å²	52	26.9 Å²	26.9	20%	0.196	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	176.8	-72.5	-179.8	172.7	-90.9	-0.6	110.7	G405 L423 S424 W434 S441	G405-R432 VanDerWaalsContact C-NE 3.32Å; G405-R432 VanDerWaalsContact O-CZ 3.22Å; G405-R432 PolarHBondContact O-NE 2.75Å; G405-R432 PolarHBondContact O-NH2 3.14Å; L423-R432 CarbonylContact C-O 3.58Å; L423-R432 VanDerWaalsContact CA-O 3.32Å; L423-R432 WeakPolarHBondContact CA-O 3.16Å; S424-R432 PolarHBondContact N-O 3.02Å; S424-R432 PolarHBondContact O-N 3.3Å; R432-W434 HydrophobicContact CB-CZ2 3.71Å; R432-W434 HydrophobicContact CG-CZ2 4.15Å; R432-S441 PolarHBondContact NH1-OG 2.84Å
433	L	97.9	Very high	96.3	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.1	168.7	-177.4	68.4	0	0	0	109	L421 L423 L442 L443 Y445 F457 V478	L421-L433 HydrophobicContact CB-CD1 3.95Å; L421-L433 HydrophobicContact CD1-CD1 4.19Å; L421-L433 HydrophobicContact CD2-CD1 4.39Å; L421-L433 HydrophobicContact CD2-CG 4.49Å; L421-L433 HydrophobicContact CG-CD1 4.4Å; L423-L433 HydrophobicContact CD2-CB 4.25Å; L423-L433 HydrophobicContact CD2-CD1 3.91Å; L423-L433 HydrophobicContact CG-CD1 4.24Å; L433-L442 HydrophobicContact CD2-CB 4.42Å; L433-L442 HydrophobicContact CD2-CD1 4.28Å; L433-L442 HydrophobicContact CG-CD1 4.47Å; L433-L442 PolarHBondContact O-N 2.83Å; L433-L443 HydrophobicContact CB-CB 4.27Å; L433-L443 HydrophobicContact CD2-CD1 4.31Å; L433-L443 PolarHBondContact N-O 2.93Å; L433-L443 PolarHBondContact O-N 3.02Å; L433-Y445 HydrophobicContact CB-CE2 3.99Å; L433-F457 HydrophobicContact CD1-CE1 4.37Å; L433-F457 HydrophobicContact CD1-CZ 3.65Å; L433-V478 HydrophobicContact CD2-CG1 3.81Å
434	W	97.2	Very high	96.1	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.6	178.8	-47.3	91.3	0	0	0	110.6	F403 L421 L422 S424 R432 T440 S441	F403-W434 HydrophobicContact CB-CD2 4.13Å; F403-W434 HydrophobicContact CB-CE3 3.79Å; F403-W434 HydrophobicContact CB-CH2 4Å; F403-W434 HydrophobicContact CB-CZ2 4.3Å; F403-W434 HydrophobicContact CB-CZ3 3.72Å; F403-W434 HydrophobicContact CD1-CE3 4.34Å; F403-W434 HydrophobicContact CD2-CB 3.75Å; F403-W434 AromaticContact CD2-CD2 3.6Å; F403-W434 HydrophobicContact CD2-CD2 3.6Å; F403-W434 AromaticContact CD2-CE3 3.7Å; F403-W434 HydrophobicContact CD2-CE3 3.7Å; F403-W434 AromaticContact CD2-CG 3.61Å; F403-W434 HydrophobicContact CD2-CG 3.61Å; F403-W434 HydrophobicContact CD2-CZ3 4.5Å; F403-W434 HydrophobicContact CE2-CB 3.46Å; F403-W434 VanDerWaalsContact CE2-CB 3.46Å; F403-W434 HydrophobicContact CE2-CD2 4.24Å; F403-W434 HydrophobicContact CE2-CE3 4.34Å; F403-W434 AromaticContact CE2-CG 3.89Å; F403-W434 HydrophobicContact CE2-CG 3.89Å; F403-W434 HydrophobicContact CG-CD2 4.04Å; F403-W434 AromaticContact CG-CE3 3.7Å; F403-W434 HydrophobicContact CG-CE3 3.7Å; F403-W434 HydrophobicContact CG-CZ3 4.11Å; F403-W434 HydrophobicContact CZ-CB 4.3Å; L421-W434 VanDerWaalsContact CA-O 3.26Å; L421-W434 WeakPolarHBondContact CA-O 3.33Å; L422-W434 HydrophobicContact CB-CB 4.28Å; L422-W434 PolarHBondContact N-O 2.98Å; L422-W434 VanDerWaalsContact O-CD1 3.25Å; L422-W434 PolarHBondContact O-N 3.07Å; S424-W434 PolarHBondContact OG-NE1 2.99Å; R432-W434 HydrophobicContact CB-CZ2 3.71Å; R432-W434 HydrophobicContact CG-CZ2 4.15Å; W434-T440 CarbonylContact C-O 3.56Å; W434-T440 WeakPolarHBondContact CA-O 3.41Å; W434-S441 VanDerWaalsContact CE3-CA 3.48Å; W434-S441 VanDerWaalsContact CZ3-CB 3.41Å
435	S	95.2	Very high	96.1	Very high	10 Å²	10	36 Å²	36	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.1	165.1	178.1	0	0	0	0	109.5	L438 R439 T440	S435-L438 WeakPolarHBondContact OG-CB 3.47Å; S435-L438 WeakPolarHBondContact OG-CG 3.3Å; S435-L438 PolarHBondContact OG-N 3.27Å; S435-R439 WeakPolarHBondContact O-CA 3.26Å; S435-R439 PolarHBondContact O-N 3.1Å; S435-T440 PolarHBondContact N-O 3.4Å; S435-T440 PolarHBondContact O-N 3.35Å
436	I	93.3	Very high	95.9	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.087	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-48.7	177.8	-64.3	161.7	0	0	0	110.9	F360 Y415 K419 Q420 L422 L438 R439	F360-I436 HydrophobicContact CD2-CG2 4.42Å; F360-I436 HydrophobicContact CE2-CG2 3.79Å; F360-I436 HydrophobicContact CZ-CG2 4.17Å; Y415-I436 HydrophobicContact CD1-CD1 3.69Å; Y415-I436 HydrophobicContact CE1-CD1 3.58Å; K419-I436 VanDerWaalsContact O-CD1 3.28Å; K419-I436 WeakPolarHBondContact O-CD1 3.46Å; Q420-I436 PolarHBondContact O-N 2.86Å; L422-I436 HydrophobicContact CB-CD1 4.28Å; L422-I436 HydrophobicContact CB-CG1 4.28Å; I436-L438 PolarHBondContact O-N 2.86Å; I436-R439 PolarHBondContact O-N 2.83Å
437	P	92.3	Very high	95.4	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.071	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-39.7	178.5	-24.1	33.6	0	0	0	114.4	C370 L371 W392 Q420	C370-P437 PolarHBondContact SG-O 2.75Å; C370-P437 VanDerWaalsContact SG-O 3.36Å; L371-P437 HydrophobicContact CD1-CB 3.6Å; L371-P437 HydrophobicContact CG-CB 3.83Å; L371-P437 PolarHBondContact N-O 3.35Å; W392-P437 HydrophobicContact CH2-CB 3.75Å; W392-P437 HydrophobicContact CH2-CG 4.18Å; W392-P437 HydrophobicContact CZ3-CB 3.91Å; Q420-P437 VanDerWaalsContact O-CD 3.32Å; Q420-P437 WeakPolarHBondContact O-CD 3.24Å
438	L	93.2	Very high	95	Very high	82 Å²	82	40.8 Å²	40.8	43%	0.429	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.6	-178.5	-59.8	172.2	0	0	0	112.5	L371 S435 I436 T440 L442	L371-L438 HydrophobicContact CB-CD2 4.25Å; L371-L438 HydrophobicContact CD1-CD2 3.67Å; L371-L438 HydrophobicContact CD1-CG 4.3Å; S435-L438 WeakPolarHBondContact OG-CB 3.47Å; S435-L438 WeakPolarHBondContact OG-CG 3.3Å; S435-L438 PolarHBondContact OG-N 3.27Å; I436-L438 PolarHBondContact O-N 2.86Å; L438-T440 VanDerWaalsContact C-N 3.26Å; L438-T440 WeakPolarHBondContact CB-OG1 3.49Å; L438-T440 WeakPolarHBondContact O-CG2 3.24Å; L438-T440 PolarHBondContact O-N 3.41Å; L438-L442 HydrophobicContact CD1-CD2 4.36Å
439	R	93.6	Very high	94.7	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.177	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	35.9	-175.3	-58.5	-179.2	178.3	172.7	-2.6	113.7	L368 C370 S396 V401 F403 S435 I436	L368-R439 PolarHBondContact O-NH2 3.34Å; C370-R439 HydrophobicContact CB-CG 4.47Å; S396-R439 PolarHBondContact O-NH1 2.76Å; S396-R439 PolarHBondContact O-NH2 3.29Å; V401-R439 HydrophobicContact CG1-CG 4.28Å; F403-R439 VanDerWaalsContact CE1-C 3.46Å; F403-R439 VanDerWaalsContact CE1-CA 3.43Å; F403-R439 HydrophobicContact CE1-CB 3.85Å; F403-R439 HydrophobicContact CE1-CG 4.46Å; F403-R439 WeakPolarHBondContact CE1-O 3.13Å; F403-R439 HydrophobicContact CZ-CB 4.44Å; S435-R439 WeakPolarHBondContact O-CA 3.26Å; S435-R439 PolarHBondContact O-N 3.1Å; I436-R439 PolarHBondContact O-N 2.83Å
440	T	93.9	Very high	94.5	Very high	66 Å²	66	46.1 Å²	46.1	41%	0.405	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153	-175.8	53	0	0	0	0	112.7	W434 S435 L438	W434-T440 CarbonylContact C-O 3.56Å; W434-T440 WeakPolarHBondContact CA-O 3.41Å; S435-T440 PolarHBondContact N-O 3.4Å; S435-T440 PolarHBondContact O-N 3.35Å; L438-T440 VanDerWaalsContact C-N 3.26Å; L438-T440 WeakPolarHBondContact CB-OG1 3.49Å; L438-T440 WeakPolarHBondContact O-CG2 3.24Å; L438-T440 PolarHBondContact O-N 3.41Å
441	S	95.2	Very high	94.5	Very high	44 Å²	44	47 Å²	47	31%	0.308	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120	164.4	-164.1	0	0	0	0	108.1	R432 W434	R432-S441 PolarHBondContact NH1-OG 2.84Å; W434-S441 VanDerWaalsContact CE3-CA 3.48Å; W434-S441 VanDerWaalsContact CZ3-CB 3.41Å
442	L	95	Very high	94.5	Very high	78 Å²	78	47.4 Å²	47.4	41%	0.408	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-54.4	178.6	-61	-177.9	0	0	0	111.1	L421 L433 L438	L421-L442 HydrophobicContact CD2-CD1 3.74Å; L433-L442 HydrophobicContact CD2-CB 4.42Å; L433-L442 HydrophobicContact CD2-CD1 4.28Å; L433-L442 HydrophobicContact CG-CD1 4.47Å; L433-L442 PolarHBondContact O-N 2.83Å; L438-L442 HydrophobicContact CD1-CD2 4.36Å
443	L	95.1	Very high	94.5	Very high	50 Å²	50	46.6 Å²	46.6	26%	0.262	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.5	-174.7	-77.3	84.2	0	0	0	110.6	L433 Y445	L433-L443 HydrophobicContact CB-CB 4.27Å; L433-L443 HydrophobicContact CD2-CD1 4.31Å; L433-L443 PolarHBondContact N-O 2.93Å; L433-L443 PolarHBondContact O-N 3.02Å; L443-Y445 HydrophobicContact CB-CE2 4.34Å; L443-Y445 HydrophobicContact CD2-CE1 4.45Å
444	Y	95.3	Very high	94.5	Very high	139 Å²	139	47.1 Å²	47.1	55%	0.545	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.4	160.7	73.7	-86.5	0	0	0	110.8	I431 H481	I431-Y444 CarbonylContact O-C 3.53Å; I431-Y444 WeakPolarHBondContact O-CA 3.23Å; Y444-H481 PolarHBondContact O-ND1 2.91Å
445	Y	97.6	Very high	94.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.2	-179.6	-44.8	-97.2	0	0	0	109.5	L423 T430 I431 L433 L443 F464 W476 V478 R480	L423-Y445 HydrophobicContact CD2-CE2 4.32Å; T430-Y445 WeakPolarHBondContact CA-O 3.34Å; I431-Y445 HydrophobicContact CB-CD2 4.06Å; I431-Y445 HydrophobicContact CG2-CD2 4.11Å; I431-Y445 PolarHBondContact N-O 2.95Å; I431-Y445 WeakPolarHBondContact O-CD2 3.3Å; I431-Y445 PolarHBondContact O-N 2.92Å; L433-Y445 HydrophobicContact CB-CE2 3.99Å; L443-Y445 HydrophobicContact CB-CE2 4.34Å; L443-Y445 HydrophobicContact CD2-CE1 4.45Å; Y445-F464 HydrophobicContact CD1-CE1 4.36Å; Y445-F464 AromaticContact CD1-CZ 3.97Å; Y445-F464 HydrophobicContact CD1-CZ 3.97Å; Y445-F464 HydrophobicContact CD2-CE1 4.43Å; Y445-F464 AromaticContact CD2-CZ 3.78Å; Y445-F464 HydrophobicContact CD2-CZ 3.78Å; Y445-F464 HydrophobicContact CE1-CE1 4.02Å; Y445-F464 HydrophobicContact CE1-CZ 4.07Å; Y445-F464 HydrophobicContact CE2-CE1 4.09Å; Y445-F464 AromaticContact CE2-CZ 3.89Å; Y445-F464 HydrophobicContact CE2-CZ 3.89Å; Y445-F464 AromaticContact CG-CZ 3.85Å; Y445-F464 HydrophobicContact CG-CZ 3.85Å; Y445-F464 AromaticContact CZ-CE1 3.89Å; Y445-W476 HydrophobicContact CD1-CE3 4.28Å; Y445-V478 WeakPolarHBondContact CE1-O 3.34Å; Y445-V478 PolarHBondContact OH-O 3.12Å; Y445-R480 WeakPolarHBondContact CD1-O 3.43Å; Y445-R480 VanDerWaalsContact CE1-O 3.26Å; Y445-R480 WeakPolarHBondContact CE1-O 3.45Å
446	R	95	Very high	94.7	Very high	87 Å²	87	47.9 Å²	47.9	33%	0.328	26%	0.255	S	S	.	.			trans	-155.3	127.7	177	-173.8	177.6	-169.3	80.6	0.7	109.5	D428 S429 G448 M449	D428-R446 PolarHBondContact O-NH1 3.11Å; S429-R446 PolarHBondContact O-NH1 3.37Å; S429-R446 VanDerWaalsContact O-NH1 3.11Å; S429-R446 PolarHBondContact OG-NH1 2.94Å; S429-R446 VanDerWaalsContact OG-NH1 3.14Å; S429-R446 PolarHBondContact OG-NH2 3.39Å; R446-G448 WeakPolarHBondContact CG-O 3.47Å; R446-G448 PolarHBondContact NE-O 3.21Å; R446-G448 PolarHBondContact NH2-O 2.87Å; R446-M449 VanDerWaalsContact NH2-CE 3.34Å; R446-M449 PolarHBondContact NH2-SD 3.36Å
447	C	88.6	Confident	94.9	Very high	70 Å²	70	47.7 Å²	47.7	47%	0.473	25%	0.253	S	S	.	.	S	Bend	trans	-108.5	-25.2	172.7	-168.6	0	0	0	0	112.6	F474 W476 P483	C447-F474 HydrophobicContact CB-CE1 4.34Å; C447-F474 HydrophobicContact CB-CZ 4.25Å; C447-W476 HydrophobicContact CB-CH2 3.74Å; C447-W476 HydrophobicContact CB-CZ2 4.26Å; C447-P483 HydrophobicContact CB-CG 4.41Å
448	G	87.8	Confident	95.1	Very high	36 Å²	36	47.2 Å²	47.2	37%	0.371	25%	0.25	S	S	.	.	S	Bend	trans	-161.3	-165.3	-173.9	0	0	0	0	0	112.6	R446	R446-G448 WeakPolarHBondContact CG-O 3.47Å; R446-G448 PolarHBondContact NE-O 3.21Å; R446-G448 PolarHBondContact NH2-O 2.87Å
449	M	90.8	Very high	95	Very high	141 Å²	141	45.3 Å²	45.3	70%	0.695	24%	0.243	S	C	*	.	S	Bend	trans	-98.4	-8.6	-178.8	-59.2	-62.4	112.9	0	0	113.8	S429 R446	S429-M449 PolarHBondContact OG-O 3.1Å; R446-M449 VanDerWaalsContact NH2-CE 3.34Å; R446-M449 PolarHBondContact NH2-SD 3.36Å
450	A	93.6	Very high	94.9	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	24%	0.237	C	C	.	.	S	Bend	trans	-70.9	130.2	-178.8	0	0	0	0	0	111.8	S429 V452 D468 D470	S429-A450 VanDerWaalsContact CB-O 3.25Å; S429-A450 WeakPolarHBondContact CB-O 3.26Å; A450-V452 PolarHBondContact O-N 2.71Å; A450-D468 HydrophobicContact CB-CB 4.24Å; A450-D470 HydrophobicContact CB-CB 3.64Å; A450-D470 WeakPolarHBondContact CB-OD2 3.33Å
451	P	97.1	Very high	94.6	Very high	35 Å²	35	41.5 Å²	41.5	23%	0.227	23%	0.227	C	C	.	.			trans	-46.7	135.3	169.6	-32.1	38.1	0	0	0	112.6	Y411 E427 L453 D468 A469	Y411-P451 HydrophobicContact CE2-CB 4.27Å; E427-P451 HydrophobicContact CG-CG 4.33Å; P451-L453 HydrophobicContact CB-CD2 4.46Å; P451-D468 WeakPolarHBondContact O-CA 3.36Å; P451-A469 HydrophobicContact CB-CB 4.25Å; P451-A469 HydrophobicContact CG-CB 4.47Å; P451-A469 PolarHBondContact O-N 3.48Å
452	V	98.2	Very high	94.4	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114	176.8	-175.6	0	0	0	0	107.9	C425 S426 I431 A450 T466 G467	C425-V452 HydrophobicContact CB-CB 3.81Å; C425-V452 HydrophobicContact CB-CG1 3.52Å; C425-V452 PolarHBondContact SG-O 3.5Å; S426-V452 PolarHBondContact O-N 3.14Å; I431-V452 HydrophobicContact CD1-CG1 4.34Å; I431-V452 HydrophobicContact CD1-CG2 4.15Å; I431-V452 HydrophobicContact CG1-CB 4.48Å; I431-V452 HydrophobicContact CG1-CG1 4.02Å; I431-V452 HydrophobicContact CG1-CG2 4.28Å; A450-V452 PolarHBondContact O-N 2.71Å; V452-T466 HydrophobicContact CG1-CG2 4.15Å; V452-G467 CarbonylContact C-O 3.59Å
453	L	98.2	Very high	94.5	Very high	36 Å²	36	38 Å²	38	19%	0.188	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-29.2	-168.1	-59.1	176.8	0	0	0	112.9	Y411 P451 G467 A469 C493	Y411-L453 CarbonylContact C-O 3.57Å; Y411-L453 WeakPolarHBondContact CB-O 3.47Å; Y411-L453 HydrophobicContact CD2-CD2 4.05Å; Y411-L453 HydrophobicContact CE2-CD2 4.31Å; P451-L453 HydrophobicContact CB-CD2 4.46Å; L453-G467 PolarHBondContact N-O 2.89Å; L453-A469 HydrophobicContact CD1-CB 4.23Å; L453-A469 HydrophobicContact CG-CB 4.43Å; L453-C493 HydrophobicContact CD1-CB 3.83Å
454	D	98.6	Very high	94.6	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.08	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.7	176.9	-165.3	15.9	0	0	0	111.3	T466 G467 C496 V497 R498	D454-T466 VanDerWaalsContact O-CA 3.24Å; D454-T466 WeakPolarHBondContact O-CA 3.29Å; D454-G467 PolarHBondContact N-O 3.32Å; D454-G467 PolarHBondContact O-N 2.82Å; D454-C496 WeakPolarHBondContact OD2-CA 3.44Å; D454-V497 HydrophobicContact CB-CG2 4.25Å; D454-V497 PolarHBondContact OD2-N 3.33Å; D454-R498 IonicContact OD1-NH1 3.01Å; D454-R498 IonicContact OD2-CZ 3.12Å; D454-R498 IonicContact OD2-NH1 2.95Å; D454-R498 PolarHBondContact OD2-NH1 3.4Å
455	V	98.5	Very high	94.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.2	177.7	62.2	0	0	0	0	110.2	S414 L423 C425 I431 F464 A465 T466	S414-V455 WeakPolarHBondContact CB-O 3.25Å; L423-V455 HydrophobicContact CB-CG1 4.22Å; L423-V455 HydrophobicContact CB-CG2 3.82Å; L423-V455 HydrophobicContact CD1-CG2 3.79Å; L423-V455 HydrophobicContact CG-CG2 4.28Å; C425-V455 HydrophobicContact CB-CB 4Å; C425-V455 HydrophobicContact CB-CG1 3.85Å; I431-V455 HydrophobicContact CG2-CG2 4.03Å; V455-F464 HydrophobicContact CG2-CD2 4.02Å; V455-A465 WeakPolarHBondContact CA-O 3.2Å; V455-T466 HydrophobicContact CB-CG2 4.15Å; V455-T466 HydrophobicContact CG2-CG2 3.86Å
456	E	98.3	Very high	94.8	Very high	31 Å²	31	29 Å²	29	15%	0.145	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	134.8	178.9	-173.5	-143.7	-159.3	0	0	111.9	S414 F464 A465 V497 R498 F499	S414-E456 WeakPolarHBondContact OG-CA 3.46Å; E456-F464 CarbonylContact O-C 3.54Å; E456-F464 WeakPolarHBondContact O-CA 3.43Å; E456-F464 VanDerWaalsContact O-CB 3.27Å; E456-F464 WeakPolarHBondContact O-CB 3.47Å; E456-A465 PolarHBondContact N-O 3.47Å; E456-A465 PolarHBondContact O-N 3.12Å; E456-V497 HydrophobicContact CB-CG2 4.27Å; E456-R498 WeakPolarHBondContact OE1-CD 3.27Å; E456-R498 WeakPolarHBondContact OE2-CA 3.2Å; E456-F499 WeakPolarHBondContact O-CE2 3.49Å; E456-F499 PolarHBondContact OE1-N 3.3Å; E456-F499 VanDerWaalsContact OE1-N 3.11Å; E456-F499 VanDerWaalsContact OE2-CD2 3.24Å; E456-F499 WeakPolarHBondContact OE2-CD2 3.34Å; E456-F499 PolarHBondContact OE2-N 2.82Å
457	F	97.7	Very high	95	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.053	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	146.7	170.7	-85	-73.4	0	0	0	112.8	S414 Y415 S416 L421 L423 L433 F464 V478	S414-F457 VanDerWaalsContact O-CD2 3.24Å; S414-F457 WeakPolarHBondContact O-CD2 3.43Å; S414-F457 VanDerWaalsContact O-CE2 3.25Å; S414-F457 WeakPolarHBondContact O-CE2 3.12Å; S414-F457 PolarHBondContact OG-N 3.44Å; Y415-F457 WeakPolarHBondContact O-CD2 3.01Å; S416-F457 VanDerWaalsContact N-CD2 3.33Å; L421-F457 HydrophobicContact CB-CE2 4.42Å; L421-F457 HydrophobicContact CB-CZ 3.94Å; L423-F457 HydrophobicContact CB-CD2 4.32Å; L423-F457 HydrophobicContact CB-CE2 3.9Å; L423-F457 HydrophobicContact CB-CZ 4.41Å; L423-F457 HydrophobicContact CD1-CD1 3.71Å; L423-F457 HydrophobicContact CD1-CD2 3.57Å; L423-F457 HydrophobicContact CD1-CE1 3.59Å; L423-F457 HydrophobicContact CD1-CE2 3.48Å; L423-F457 VanDerWaalsContact CD1-CE2 3.48Å; L423-F457 HydrophobicContact CD1-CG 3.72Å; L423-F457 HydrophobicContact CD1-CZ 3.5Å; L423-F457 HydrophobicContact CD2-CZ 4.29Å; L423-F457 HydrophobicContact CG-CD2 3.93Å; L423-F457 HydrophobicContact CG-CE1 3.99Å; L423-F457 HydrophobicContact CG-CE2 3.35Å; L423-F457 HydrophobicContact CG-CZ 3.39Å; L433-F457 HydrophobicContact CD1-CE1 4.37Å; L433-F457 HydrophobicContact CD1-CZ 3.65Å; F457-F464 HydrophobicContact CD1-CB 4.23Å; F457-V478 HydrophobicContact CD1-CG2 4.31Å; F457-V478 HydrophobicContact CE1-CG2 3.85Å
458	G	95.8	Very high	95.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	14%	0.136	C	C	.	.			trans	-67.1	144.2	165.6	0	0	0	0	0	111.9	F460 G461 Y463	G458-F460 PolarHBondContact O-N 3.26Å; G458-F460 VanDerWaalsContact O-N 3.14Å; G458-G461 PolarHBondContact O-N 3.17Å; G458-Y463 PolarHBondContact N-O 3.24Å
459	P	91.8	Very high	95.6	Very high	42 Å²	42	21.7 Å²	21.7	27%	0.273	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.6	-176.9	-26.6	32.5	0	0	0	115.7	A417 F499	A417-P459 WeakPolarHBondContact CB-O 3.41Å; P459-F499 HydrophobicContact CG-CB 4.28Å
460	F	90.4	Very high	95.6	Very high	15 Å²	15	20.5 Å²	20.5	7%	0.066	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.7	177.8	-62.7	-66.8	0	0	0	112.8	F236 L239 W288 L293 P294 M296 W300 G458	F236-F460 HydrophobicContact CB-CZ 4.5Å; F236-F460 AromaticContact CD2-CE2 3.65Å; F236-F460 HydrophobicContact CD2-CE2 3.65Å; F236-F460 AromaticContact CD2-CZ 3.64Å; F236-F460 HydrophobicContact CD2-CZ 3.64Å; F236-F460 AromaticContact CE2-CE2 3.99Å; F236-F460 HydrophobicContact CE2-CE2 3.99Å; F236-F460 HydrophobicContact CE2-CZ 4.41Å; L239-F460 HydrophobicContact CD1-CD1 4.17Å; L239-F460 HydrophobicContact CD1-CE1 3.25Å; L239-F460 HydrophobicContact CD1-CZ 3.8Å; W288-F460 HydrophobicContact CH2-CD1 4.07Å; W288-F460 HydrophobicContact CH2-CE1 4.19Å; W288-F460 HydrophobicContact CH2-CG 4.38Å; W288-F460 HydrophobicContact CZ3-CE1 4.33Å; W288-F460 HydrophobicContact CZ3-CE2 4.48Å; W288-F460 HydrophobicContact CZ3-CZ 4.29Å; L293-F460 HydrophobicContact CD1-CB 4.43Å; L293-F460 HydrophobicContact CD1-CD2 4.07Å; L293-F460 HydrophobicContact CD1-CG 4.28Å; L293-F460 HydrophobicContact CD2-CB 4.13Å; P294-F460 VanDerWaalsContact CG-O 3.25Å; P294-F460 WeakPolarHBondContact CG-O 3.44Å; M296-F460 HydrophobicContact CE-CB 4.35Å; M296-F460 HydrophobicContact CE-CD1 3.91Å; M296-F460 HydrophobicContact SD-CB 4.24Å; M296-F460 HydrophobicContact SD-CD1 4.13Å; W300-F460 HydrophobicContact CH2-CD1 4.3Å; W300-F460 HydrophobicContact CH2-CE1 4.01Å; W300-F460 AromaticContact CZ2-CD1 3.87Å; W300-F460 HydrophobicContact CZ2-CD1 3.87Å; W300-F460 AromaticContact CZ2-CE1 3.78Å; W300-F460 HydrophobicContact CZ2-CE1 3.78Å; G458-F460 PolarHBondContact O-N 3.26Å; G458-F460 VanDerWaalsContact O-N 3.14Å
461	G	87.8	Confident	95.5	Very high	18 Å²	18	21.3 Å²	21.3	19%	0.186	13%	0.131	C	C	.	.	S	Bend	trans	68.6	-169	-171.6	0	0	0	0	0	112.8	G458 Y463	G458-G461 PolarHBondContact O-N 3.17Å; G461-Y463 PolarHBondContact O-N 2.89Å
462	G	91.6	Very high	95.4	Very high	25 Å²	25	20.2 Å²	20.2	26%	0.258	13%	0.125	S	C	.	.	S	Bend	trans	74	-33.2	179.2	0	0	0	0	0	114.8	V477 V478	G462-V477 CarbonylContact O-C 3.47Å; G462-V477 VanDerWaalsContact O-CA 3.3Å; G462-V477 WeakPolarHBondContact O-CA 3.26Å; G462-V478 PolarHBondContact O-N 3.12Å
463	Y	96.7	Very high	95.3	Very high	23 Å²	23	19.8 Å²	19.8	9%	0.09	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.9	176.1	-61.4	-86.9	0	0	0	112.3	P292 L293 G458 G461 V475 W476 V477 V484 L520	P292-Y463 WeakPolarHBondContact O-CE2 3.48Å; P292-Y463 PolarHBondContact O-OH 2.84Å; P292-Y463 VanDerWaalsContact O-OH 3.08Å; L293-Y463 HydrophobicContact CD2-CE2 4.43Å; G458-Y463 PolarHBondContact N-O 3.24Å; G461-Y463 PolarHBondContact O-N 2.89Å; Y463-V475 HydrophobicContact CD1-CG1 4.14Å; Y463-W476 WeakPolarHBondContact CA-O 3.32Å; Y463-W476 WeakPolarHBondContact CD1-O 3.14Å; Y463-V477 HydrophobicContact CD1-CG2 3.87Å; Y463-V477 HydrophobicContact CE1-CG2 3.49Å; Y463-V477 VanDerWaalsContact CE1-CG2 3.49Å; Y463-V484 HydrophobicContact CD1-CG1 4.41Å; Y463-V484 HydrophobicContact CE1-CG1 4.31Å; Y463-L520 HydrophobicContact CD1-CD2 4.2Å; Y463-L520 HydrophobicContact CD2-CD2 4.23Å; Y463-L520 HydrophobicContact CE1-CD2 4.32Å; Y463-L520 HydrophobicContact CE2-CD2 4.34Å; Y463-L520 HydrophobicContact CG-CD2 4.16Å
464	F	98	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	163.9	163.9	68.9	-88.7	0	0	0	109.7	L423 I431 Y445 V455 E456 F457 T466 W476 V478	L423-F464 HydrophobicContact CD1-CB 3.45Å; L423-F464 VanDerWaalsContact CD1-CB 3.45Å; L423-F464 HydrophobicContact CD1-CD1 4.1Å; L423-F464 HydrophobicContact CD1-CD2 3.85Å; L423-F464 HydrophobicContact CD1-CG 3.56Å; I431-F464 HydrophobicContact CG2-CE2 4.08Å; Y445-F464 HydrophobicContact CD1-CE1 4.36Å; Y445-F464 AromaticContact CD1-CZ 3.97Å; Y445-F464 HydrophobicContact CD1-CZ 3.97Å; Y445-F464 HydrophobicContact CD2-CE1 4.43Å; Y445-F464 AromaticContact CD2-CZ 3.78Å; Y445-F464 HydrophobicContact CD2-CZ 3.78Å; Y445-F464 HydrophobicContact CE1-CE1 4.02Å; Y445-F464 HydrophobicContact CE1-CZ 4.07Å; Y445-F464 HydrophobicContact CE2-CE1 4.09Å; Y445-F464 AromaticContact CE2-CZ 3.89Å; Y445-F464 HydrophobicContact CE2-CZ 3.89Å; Y445-F464 AromaticContact CG-CZ 3.85Å; Y445-F464 HydrophobicContact CG-CZ 3.85Å; Y445-F464 AromaticContact CZ-CE1 3.89Å; V455-F464 HydrophobicContact CG2-CD2 4.02Å; E456-F464 CarbonylContact O-C 3.54Å; E456-F464 WeakPolarHBondContact O-CA 3.43Å; E456-F464 VanDerWaalsContact O-CB 3.27Å; E456-F464 WeakPolarHBondContact O-CB 3.47Å; F457-F464 HydrophobicContact CD1-CB 4.23Å; F464-T466 HydrophobicContact CD2-CG2 3.96Å; F464-T466 HydrophobicContact CE2-CG2 3.86Å; F464-W476 HydrophobicContact CD1-CB 3.61Å; F464-W476 HydrophobicContact CD1-CG 4.4Å; F464-W476 HydrophobicContact CD2-CB 3.91Å; F464-W476 AromaticContact CD2-CD1 3.51Å; F464-W476 AromaticContact CD2-CG 3.85Å; F464-W476 HydrophobicContact CD2-CG 3.85Å; F464-W476 HydrophobicContact CE1-CB 3.25Å; F464-W476 AromaticContact CE1-CG 3.9Å; F464-W476 HydrophobicContact CE1-CG 3.9Å; F464-W476 HydrophobicContact CE2-CB 3.57Å; F464-W476 AromaticContact CE2-CD1 3.2Å; F464-W476 AromaticContact CE2-CD2 3.87Å; F464-W476 HydrophobicContact CE2-CD2 3.87Å; F464-W476 AromaticContact CE2-CG 3.28Å; F464-W476 HydrophobicContact CE2-CG 3.28Å; F464-W476 AromaticContact CE2-NE1 3.73Å; F464-W476 HydrophobicContact CG-CB 3.93Å; F464-W476 HydrophobicContact CG-CG 4.38Å; F464-W476 HydrophobicContact CZ-CB 3.23Å; F464-W476 AromaticContact CZ-CD1 3.77Å; F464-W476 AromaticContact CZ-CD2 3.77Å; F464-W476 HydrophobicContact CZ-CD2 3.77Å; F464-W476 HydrophobicContact CZ-CE3 4.27Å; F464-W476 AromaticContact CZ-CG 3.31Å; F464-W476 HydrophobicContact CZ-CG 3.31Å; F464-W476 PolarHBondContact N-O 3.02Å; F464-W476 VanDerWaalsContact N-O 3.1Å; F464-W476 PolarHBondContact O-N 3.23Å; F464-V478 HydrophobicContact CD1-CG2 3.9Å
465	A	98.5	Very high	95.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152	-178.4	0	0	0	0	0	109.6	V455 E456 F474 V497 F499 V506	V455-A465 WeakPolarHBondContact CA-O 3.2Å; E456-A465 PolarHBondContact N-O 3.47Å; E456-A465 PolarHBondContact O-N 3.12Å; A465-F474 CarbonylContact C-O 3.29Å; A465-F474 WeakPolarHBondContact CA-O 3.46Å; A465-V497 HydrophobicContact CB-CB 4.47Å; A465-V497 HydrophobicContact CB-CG2 4.29Å; A465-F499 HydrophobicContact CB-CD2 4.21Å; A465-F499 HydrophobicContact CB-CE2 3.45Å; A465-F499 VanDerWaalsContact CB-CE2 3.45Å; A465-F499 HydrophobicContact CB-CZ 3.89Å; A465-V506 HydrophobicContact CB-CG1 3.93Å; A465-V506 HydrophobicContact CB-CG2 4.17Å
466	T	98.6	Very high	95.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.6	179.6	60.8	0	0	0	0	110.7	I431 V452 D454 V455 F464 A473 F474 W476	I431-T466 HydrophobicContact CD1-CG2 3.69Å; I431-T466 HydrophobicContact CG1-CG2 3.84Å; V452-T466 HydrophobicContact CG1-CG2 4.15Å; D454-T466 VanDerWaalsContact O-CA 3.24Å; D454-T466 WeakPolarHBondContact O-CA 3.29Å; V455-T466 HydrophobicContact CB-CG2 4.15Å; V455-T466 HydrophobicContact CG2-CG2 3.86Å; F464-T466 HydrophobicContact CD2-CG2 3.96Å; F464-T466 HydrophobicContact CE2-CG2 3.86Å; T466-A473 CarbonylContact O-C 3.53Å; T466-A473 WeakPolarHBondContact O-CA 3.27Å; T466-A473 VanDerWaalsContact O-CB 3.26Å; T466-A473 WeakPolarHBondContact O-CB 3.2Å; T466-F474 PolarHBondContact N-O 3.46Å; T466-F474 PolarHBondContact O-N 3.28Å; T466-W476 PolarHBondContact OG1-NE1 3.32Å
467	G	97.9	Very high	95.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.6	168.8	0	0	0	0	0	110.2	V452 L453 D454 V494	V452-G467 CarbonylContact C-O 3.59Å; L453-G467 PolarHBondContact N-O 2.89Å; D454-G467 PolarHBondContact N-O 3.32Å; D454-G467 PolarHBondContact O-N 2.82Å; G467-V494 CarbonylContact C-O 3.59Å
468	D	95.3	Very high	95	Very high	11 Å²	11	18.3 Å²	18.3	6%	0.059	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	170.2	-179	74.7	18.7	0	0	0	113.6	A450 P451 D470 S471 A472 F474 V494	A450-D468 HydrophobicContact CB-CB 4.24Å; P451-D468 WeakPolarHBondContact O-CA 3.36Å; D468-D470 VanDerWaalsContact C-N 3.28Å; D468-D470 VanDerWaalsContact OD1-C 3.32Å; D468-D470 WeakPolarHBondContact OD1-CA 3.46Å; D468-D470 PolarHBondContact OD1-N 3.34Å; D468-S471 PolarHBondContact OD1-N 3.14Å; D468-A472 VanDerWaalsContact CG-O 3.26Å; D468-A472 PolarHBondContact N-O 3.3Å; D468-A472 WeakPolarHBondContact OD1-CA 3.25Å; D468-A472 PolarHBondContact OD1-N 3.38Å; D468-F474 WeakPolarHBondContact OD2-CE2 3.25Å; D468-V494 PolarHBondContact O-N 3.14Å
469	A	94.6	Very high	94.8	Very high	28 Å²	28	26.5 Å²	26.5	23%	0.231	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.2	175.7	0	0	0	0	0	113.9	P451 L453 S471 C493	P451-A469 HydrophobicContact CB-CB 4.25Å; P451-A469 HydrophobicContact CG-CB 4.47Å; P451-A469 PolarHBondContact O-N 3.48Å; L453-A469 HydrophobicContact CD1-CB 4.23Å; L453-A469 HydrophobicContact CG-CB 4.43Å; A469-S471 VanDerWaalsContact C-N 3.25Å; A469-S471 PolarHBondContact O-N 2.85Å; A469-C493 PolarHBondContact O-SG 3.05Å
470	D	90.9	Very high	94.8	Very high	116 Å²	116	31.5 Å²	31.5	62%	0.62	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	20.4	-177.7	-83.5	3.8	0	0	0	112.8	A450 D468 A472	A450-D470 HydrophobicContact CB-CB 3.64Å; A450-D470 WeakPolarHBondContact CB-OD2 3.33Å; D468-D470 VanDerWaalsContact C-N 3.28Å; D468-D470 VanDerWaalsContact OD1-C 3.32Å; D468-D470 WeakPolarHBondContact OD1-CA 3.46Å; D468-D470 PolarHBondContact OD1-N 3.34Å; D470-A472 PolarHBondContact O-N 3.11Å
471	S	91.9	Very high	94.9	Very high	26 Å²	26	36 Å²	36	18%	0.182	19%	0.189	C	C	.	.	S	Bend	trans	67.1	20.7	178.9	-36.8	0	0	0	0	114.4	D468 A469 H490 I491 A492	D468-S471 PolarHBondContact OD1-N 3.14Å; A469-S471 VanDerWaalsContact C-N 3.25Å; A469-S471 PolarHBondContact O-N 2.85Å; S471-H490 WeakPolarHBondContact O-CB 3.31Å; S471-I491 VanDerWaalsContact OG-C 3.27Å; S471-A492 VanDerWaalsContact CA-O 3.23Å; S471-A492 WeakPolarHBondContact CA-O 3.46Å; S471-A492 VanDerWaalsContact CB-O 3.24Å; S471-A492 WeakPolarHBondContact CB-O 3.42Å; S471-A492 WeakPolarHBondContact OG-CA 3.35Å; S471-A492 PolarHBondContact OG-N 2.98Å; S471-A492 VanDerWaalsContact OG-N 3.1Å; S471-A492 PolarHBondContact OG-O 3.35Å
472	A	93.3	Very high	95.2	Very high	12 Å²	12	39.8 Å²	39.8	10%	0.099	21%	0.209	C	C	.	.			trans	-112.3	153.1	174.3	0	0	0	0	0	111.1	D468 D470 F474	D468-A472 VanDerWaalsContact CG-O 3.26Å; D468-A472 PolarHBondContact N-O 3.3Å; D468-A472 WeakPolarHBondContact OD1-CA 3.25Å; D468-A472 PolarHBondContact OD1-N 3.38Å; D470-A472 PolarHBondContact O-N 3.11Å; A472-F474 HydrophobicContact CB-CE2 4.11Å; A472-F474 HydrophobicContact CB-CZ 4.02Å
473	A	97.6	Very high	95.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.3	162	0	0	0	0	0	109.3	T466 L487 V494 V497 T508	T466-A473 CarbonylContact O-C 3.53Å; T466-A473 WeakPolarHBondContact O-CA 3.27Å; T466-A473 VanDerWaalsContact O-CB 3.26Å; T466-A473 WeakPolarHBondContact O-CB 3.2Å; A473-L487 HydrophobicContact CB-CB 4.02Å; A473-L487 HydrophobicContact CB-CD1 4.04Å; A473-L487 HydrophobicContact CB-CG 4.49Å; A473-L487 PolarHBondContact N-O 3.28Å; A473-L487 VanDerWaalsContact N-O 3.13Å; A473-L487 WeakPolarHBondContact O-CA 3.41Å; A473-L487 VanDerWaalsContact O-CB 3.3Å; A473-L487 WeakPolarHBondContact O-CB 3.3Å; A473-L487 PolarHBondContact O-N 3.33Å; A473-V494 HydrophobicContact CB-CG1 4.27Å; A473-V497 HydrophobicContact CB-CG1 4.48Å; A473-T508 HydrophobicContact CB-CG2 3.74Å
474	F	97.6	Very high	95.4	Very high	21 Å²	21	40.7 Å²	40.7	9%	0.092	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.7	-178.2	-58.7	-84.5	0	0	0	110.4	C447 A465 T466 D468 A472 W476 P483 R485 V486	C447-F474 HydrophobicContact CB-CE1 4.34Å; C447-F474 HydrophobicContact CB-CZ 4.25Å; A465-F474 CarbonylContact C-O 3.29Å; A465-F474 WeakPolarHBondContact CA-O 3.46Å; T466-F474 PolarHBondContact N-O 3.46Å; T466-F474 PolarHBondContact O-N 3.28Å; D468-F474 WeakPolarHBondContact OD2-CE2 3.25Å; A472-F474 HydrophobicContact CB-CE2 4.11Å; A472-F474 HydrophobicContact CB-CZ 4.02Å; F474-W476 HydrophobicContact CB-CZ2 3.99Å; F474-W476 VanDerWaalsContact CB-NE1 3.33Å; F474-W476 HydrophobicContact CD2-CZ2 4.36Å; F474-W476 HydrophobicContact CG-CZ2 4.18Å; F474-P483 HydrophobicContact CB-CB 4.01Å; F474-P483 HydrophobicContact CD1-CB 3.85Å; F474-P483 HydrophobicContact CD1-CG 3.87Å; F474-P483 HydrophobicContact CE1-CG 4.4Å; F474-P483 HydrophobicContact CG-CB 4.28Å; F474-R485 WeakPolarHBondContact CA-O 3.36Å; F474-V486 HydrophobicContact CD1-CB 4.31Å; F474-V486 HydrophobicContact CD1-CG1 4.21Å; F474-V486 HydrophobicContact CD1-CG2 3.93Å; F474-V486 HydrophobicContact CE1-CB 4.27Å; F474-V486 HydrophobicContact CE1-CG1 3.77Å; F474-V486 HydrophobicContact CE1-CG2 3.88Å
475	V	98	Very high	95.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.6	165.6	-179.3	0	0	0	0	107.1	Y463 P483 V484 R485 L487 V506 L520	Y463-V475 HydrophobicContact CD1-CG1 4.14Å; V475-P483 CarbonylContact O-C 3.48Å; V475-P483 WeakPolarHBondContact O-CA 3.39Å; V475-V484 HydrophobicContact CB-CG1 4.1Å; V475-V484 HydrophobicContact CG1-CG1 3.75Å; V475-V484 VanDerWaalsContact O-CG1 3.26Å; V475-V484 WeakPolarHBondContact O-CG1 3.46Å; V475-V484 PolarHBondContact O-N 3.47Å; V475-R485 HydrophobicContact CB-CB 3.91Å; V475-R485 HydrophobicContact CB-CG 4.25Å; V475-R485 HydrophobicContact CG2-CB 4.08Å; V475-R485 HydrophobicContact CG2-CG 4.5Å; V475-R485 PolarHBondContact N-O 2.75Å; V475-R485 PolarHBondContact O-N 2.9Å; V475-R485 VanDerWaalsContact O-N 3.13Å; V475-L487 HydrophobicContact CG2-CD1 4.06Å; V475-V506 HydrophobicContact CG2-CG2 4.24Å; V475-L520 HydrophobicContact CB-CD1 4.29Å; V475-L520 HydrophobicContact CG1-CD1 3.45Å; V475-L520 VanDerWaalsContact CG1-CD1 3.45Å; V475-L520 HydrophobicContact CG1-CG 4.12Å; V475-L520 HydrophobicContact CG2-CD1 3.87Å
476	W	97.5	Very high	95.2	Very high	2 Å²	2	48 Å²	48	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153	-176.2	-53.2	84.1	0	0	0	109.9	I431 Y445 C447 Y463 F464 T466 F474 P483	I431-W476 HydrophobicContact CD1-CH2 4.42Å; I431-W476 HydrophobicContact CD1-CZ2 3.86Å; Y445-W476 HydrophobicContact CD1-CE3 4.28Å; C447-W476 HydrophobicContact CB-CH2 3.74Å; C447-W476 HydrophobicContact CB-CZ2 4.26Å; Y463-W476 WeakPolarHBondContact CA-O 3.32Å; Y463-W476 WeakPolarHBondContact CD1-O 3.14Å; F464-W476 HydrophobicContact CD1-CB 3.61Å; F464-W476 HydrophobicContact CD1-CG 4.4Å; F464-W476 HydrophobicContact CD2-CB 3.91Å; F464-W476 AromaticContact CD2-CD1 3.51Å; F464-W476 AromaticContact CD2-CG 3.85Å; F464-W476 HydrophobicContact CD2-CG 3.85Å; F464-W476 HydrophobicContact CE1-CB 3.25Å; F464-W476 AromaticContact CE1-CG 3.9Å; F464-W476 HydrophobicContact CE1-CG 3.9Å; F464-W476 HydrophobicContact CE2-CB 3.57Å; F464-W476 AromaticContact CE2-CD1 3.2Å; F464-W476 AromaticContact CE2-CD2 3.87Å; F464-W476 HydrophobicContact CE2-CD2 3.87Å; F464-W476 AromaticContact CE2-CG 3.28Å; F464-W476 HydrophobicContact CE2-CG 3.28Å; F464-W476 AromaticContact CE2-NE1 3.73Å; F464-W476 HydrophobicContact CG-CB 3.93Å; F464-W476 HydrophobicContact CG-CG 4.38Å; F464-W476 HydrophobicContact CZ-CB 3.23Å; F464-W476 AromaticContact CZ-CD1 3.77Å; F464-W476 AromaticContact CZ-CD2 3.77Å; F464-W476 HydrophobicContact CZ-CD2 3.77Å; F464-W476 HydrophobicContact CZ-CE3 4.27Å; F464-W476 AromaticContact CZ-CG 3.31Å; F464-W476 HydrophobicContact CZ-CG 3.31Å; F464-W476 PolarHBondContact N-O 3.02Å; F464-W476 VanDerWaalsContact N-O 3.1Å; F464-W476 PolarHBondContact O-N 3.23Å; T466-W476 PolarHBondContact OG1-NE1 3.32Å; F474-W476 HydrophobicContact CB-CZ2 3.99Å; F474-W476 VanDerWaalsContact CB-NE1 3.33Å; F474-W476 HydrophobicContact CD2-CZ2 4.36Å; F474-W476 HydrophobicContact CG-CZ2 4.18Å; W476-P483 HydrophobicContact CD2-CB 4.01Å; W476-P483 HydrophobicContact CE3-CB 3.97Å; W476-P483 HydrophobicContact CH2-CB 4.31Å; W476-P483 HydrophobicContact CH2-CG 4.35Å; W476-P483 HydrophobicContact CZ2-CB 4.32Å; W476-P483 HydrophobicContact CZ3-CB 4.12Å; W476-P483 HydrophobicContact CZ3-CG 4.29Å
477	V	95.9	Very high	95	Very high	21 Å²	21	48 Å²	48	13%	0.127	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.1	161.1	176.1	0	0	0	0	106.2	G462 Y463 E479 R480 V484	G462-V477 CarbonylContact O-C 3.47Å; G462-V477 VanDerWaalsContact O-CA 3.3Å; G462-V477 WeakPolarHBondContact O-CA 3.26Å; Y463-V477 HydrophobicContact CD1-CG2 3.87Å; Y463-V477 HydrophobicContact CE1-CG2 3.49Å; Y463-V477 VanDerWaalsContact CE1-CG2 3.49Å; V477-E479 PolarHBondContact O-N 3.46Å; V477-E479 VanDerWaalsContact O-N 3.12Å; V477-R480 HydrophobicContact CB-CB 4.1Å; V477-R480 HydrophobicContact CB-CG 3.87Å; V477-R480 HydrophobicContact CG1-CG 4.05Å; V477-R480 PolarHBondContact O-N 2.76Å; V477-V484 HydrophobicContact CG2-CB 4.26Å; V477-V484 HydrophobicContact CG2-CG1 4.13Å
478	V	95.1	Very high	94.7	Very high	19 Å²	19	52.9 Å²	52.9	12%	0.115	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-38.5	-175.9	176.4	0	0	0	0	111.6	L433 Y445 F457 G462 F464 R480	L433-V478 HydrophobicContact CD2-CG1 3.81Å; Y445-V478 WeakPolarHBondContact CE1-O 3.34Å; Y445-V478 PolarHBondContact OH-O 3.12Å; F457-V478 HydrophobicContact CD1-CG2 4.31Å; F457-V478 HydrophobicContact CE1-CG2 3.85Å; G462-V478 PolarHBondContact O-N 3.12Å; F464-V478 HydrophobicContact CD1-CG2 3.9Å; V478-R480 VanDerWaalsContact C-N 3.3Å; V478-R480 PolarHBondContact O-N 2.71Å
479	E	91.5	Very high	94.5	Very high	174 Å²	174	56.8 Å²	56.8	81%	0.813	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.2	-178.4	-60.9	176.6	177.3	0	0	114.3	V477	V477-E479 PolarHBondContact O-N 3.46Å; V477-E479 VanDerWaalsContact O-N 3.12Å
480	R	93	Very high	94.4	Very high	146 Å²	146	55.9 Å²	55.9	55%	0.551	28%	0.281	S	S	*	.			trans	-116.7	134.9	-176.3	-60.9	-174.4	-175.2	-167.1	-0.5	111.5	Y445 V477 V478 T482	Y445-R480 WeakPolarHBondContact CD1-O 3.43Å; Y445-R480 VanDerWaalsContact CE1-O 3.26Å; Y445-R480 WeakPolarHBondContact CE1-O 3.45Å; V477-R480 HydrophobicContact CB-CB 4.1Å; V477-R480 HydrophobicContact CB-CG 3.87Å; V477-R480 HydrophobicContact CG1-CG 4.05Å; V477-R480 PolarHBondContact O-N 2.76Å; V478-R480 VanDerWaalsContact C-N 3.3Å; V478-R480 PolarHBondContact O-N 2.71Å; R480-T482 VanDerWaalsContact C-N 3.3Å; R480-T482 PolarHBondContact O-N 2.9Å
481	H	92.2	Very high	94.3	Very high	111 Å²	111	51.7 Å²	51.7	51%	0.514	26%	0.258	S	S	.	.	S	Bend	trans	-77.3	-13	177.6	-72.9	-78.8	0	0	0	114.5	Y444	Y444-H481 PolarHBondContact O-ND1 2.91Å
482	T	93.9	Very high	94.3	Very high	97 Å²	97	51.2 Å²	51.2	60%	0.595	26%	0.256	S	S	*	.	S	Bend	trans	-110.7	147	177.9	53.9	0	0	0	0	111	R480	R480-T482 VanDerWaalsContact C-N 3.3Å; R480-T482 PolarHBondContact O-N 2.9Å
483	P	96.2	Very high	94.3	Very high	28 Å²	28	52.3 Å²	52.3	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.9	177.2	28.7	-33.8	0	0	0	110.1	C447 F474 V475 W476	C447-P483 HydrophobicContact CB-CG 4.41Å; F474-P483 HydrophobicContact CB-CB 4.01Å; F474-P483 HydrophobicContact CD1-CB 3.85Å; F474-P483 HydrophobicContact CD1-CG 3.87Å; F474-P483 HydrophobicContact CE1-CG 4.4Å; F474-P483 HydrophobicContact CG-CB 4.28Å; V475-P483 CarbonylContact O-C 3.48Å; V475-P483 WeakPolarHBondContact O-CA 3.39Å; W476-P483 HydrophobicContact CD2-CB 4.01Å; W476-P483 HydrophobicContact CE3-CB 3.97Å; W476-P483 HydrophobicContact CH2-CB 4.31Å; W476-P483 HydrophobicContact CH2-CG 4.35Å; W476-P483 HydrophobicContact CZ2-CB 4.32Å; W476-P483 HydrophobicContact CZ3-CB 4.12Å; W476-P483 HydrophobicContact CZ3-CG 4.29Å
484	V	95.6	Very high	94.3	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-26.3	174.5	64.7	0	0	0	0	111.6	Y463 V475 V477	Y463-V484 HydrophobicContact CD1-CG1 4.41Å; Y463-V484 HydrophobicContact CE1-CG1 4.31Å; V475-V484 HydrophobicContact CB-CG1 4.1Å; V475-V484 HydrophobicContact CG1-CG1 3.75Å; V475-V484 VanDerWaalsContact O-CG1 3.26Å; V475-V484 WeakPolarHBondContact O-CG1 3.46Å; V475-V484 PolarHBondContact O-N 3.47Å; V477-V484 HydrophobicContact CG2-CB 4.26Å; V477-V484 HydrophobicContact CG2-CG1 4.13Å
485	R	96.2	Very high	94.4	Very high	79 Å²	79	52.6 Å²	52.6	30%	0.298	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.1	172.9	-56.2	-69.6	175.6	-106.9	5.6	111	F474 V475 L487 L520 L521	F474-R485 WeakPolarHBondContact CA-O 3.36Å; V475-R485 HydrophobicContact CB-CB 3.91Å; V475-R485 HydrophobicContact CB-CG 4.25Å; V475-R485 HydrophobicContact CG2-CB 4.08Å; V475-R485 HydrophobicContact CG2-CG 4.5Å; V475-R485 PolarHBondContact N-O 2.75Å; V475-R485 PolarHBondContact O-N 2.9Å; V475-R485 VanDerWaalsContact O-N 3.13Å; R485-L487 HydrophobicContact CB-CD2 4.23Å; R485-L520 PolarHBondContact NE-O 2.78Å; R485-L521 PolarHBondContact NE-O 2.98Å; R485-L521 PolarHBondContact NH2-O 3.36Å
486	V	95.5	Very high	94.4	Very high	75 Å²	75	52.6 Å²	52.6	46%	0.455	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.8	171.1	-176.2	0	0	0	0	108.1	F474 N488	F474-V486 HydrophobicContact CD1-CB 4.31Å; F474-V486 HydrophobicContact CD1-CG1 4.21Å; F474-V486 HydrophobicContact CD1-CG2 3.93Å; F474-V486 HydrophobicContact CE1-CB 4.27Å; F474-V486 HydrophobicContact CE1-CG1 3.77Å; F474-V486 HydrophobicContact CE1-CG2 3.88Å; V486-N488 HydrophobicContact CG1-CB 4.25Å
487	L	96.4	Very high	94.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	80.8	-172.5	-49.7	177	0	0	0	109.4	A473 V475 R485 W518	A473-L487 HydrophobicContact CB-CB 4.02Å; A473-L487 HydrophobicContact CB-CD1 4.04Å; A473-L487 HydrophobicContact CB-CG 4.49Å; A473-L487 PolarHBondContact N-O 3.28Å; A473-L487 VanDerWaalsContact N-O 3.13Å; A473-L487 WeakPolarHBondContact O-CA 3.41Å; A473-L487 VanDerWaalsContact O-CB 3.3Å; A473-L487 WeakPolarHBondContact O-CB 3.3Å; A473-L487 PolarHBondContact O-N 3.33Å; V475-L487 HydrophobicContact CG2-CD1 4.06Å; R485-L487 HydrophobicContact CB-CD2 4.23Å; L487-W518 HydrophobicContact CB-CD2 3.91Å; L487-W518 HydrophobicContact CB-CE3 3.99Å; L487-W518 HydrophobicContact CB-CG 4.45Å; L487-W518 HydrophobicContact CB-CH2 4.05Å; L487-W518 HydrophobicContact CB-CZ2 4.03Å; L487-W518 HydrophobicContact CB-CZ3 4.05Å; L487-W518 HydrophobicContact CD1-CB 4.01Å; L487-W518 HydrophobicContact CD1-CD2 4.06Å; L487-W518 HydrophobicContact CD1-CG 3.71Å; L487-W518 HydrophobicContact CD2-CB 3.98Å; L487-W518 HydrophobicContact CD2-CD2 3.9Å; L487-W518 HydrophobicContact CD2-CE3 3.73Å; L487-W518 HydrophobicContact CD2-CG 4.01Å; L487-W518 HydrophobicContact CD2-CZ3 4.39Å; L487-W518 HydrophobicContact CG-CD2 4.17Å; L487-W518 HydrophobicContact CG-CE3 4.33Å; L487-W518 HydrophobicContact CG-CG 4.27Å
488	N	91	Very high	94.6	Very high	102 Å²	102	54.4 Å²	54.4	55%	0.545	27%	0.269	S	S	.	.			trans	-109.9	35.3	-163.8	65.7	-5.4	0	0	0	115	V486	V486-N488 HydrophobicContact CG1-CB 4.25Å
489	K	91.2	Very high	94.7	Very high	93 Å²	93	53.8 Å²	53.8	40%	0.404	27%	0.265	S	S	.	.			trans	-96.7	-9.5	175.9	-54.6	-174.8	179.9	-179.2	0	113.9	R516 W518 C525	K489-R516 VanDerWaalsContact O-CZ 3.28Å; K489-R516 PolarHBondContact O-NH2 3.21Å; K489-W518 HydrophobicContact CB-CH2 3.55Å; K489-W518 HydrophobicContact CB-CZ2 4.45Å; K489-W518 HydrophobicContact CB-CZ3 4.28Å; K489-W518 HydrophobicContact CD-CH2 4.14Å; K489-W518 HydrophobicContact CD-CZ3 4.05Å; K489-W518 HydrophobicContact CG-CH2 3.7Å; K489-W518 HydrophobicContact CG-CZ3 3.92Å; K489-C525 HydrophobicContact CD-CB 3.88Å
490	H	91.9	Very high	95	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.042	23%	0.227	C	C	.	.			trans	-68.7	156.3	169.3	-77.7	-78.5	0	0	0	110.1	S471 V494 T508 S510 D512 T514 R516 W518	S471-H490 WeakPolarHBondContact O-CB 3.31Å; H490-V494 HydrophobicContact CB-CG2 3.92Å; H490-T508 PolarHBondContact CD2-OG1 2.9Å; H490-T508 PolarHBondContact NE2-OG1 3.42Å; H490-S510 VanDerWaalsContact CE1-CB 3.4Å; H490-S510 WeakPolarHBondContact CE1-CB 3.35Å; H490-S510 WeakPolarHBondContact ND1-CB 3.26Å; H490-S510 PolarHBondContact ND1-OG 3.16Å; H490-D512 IonicContact CE1-OD1 3.56Å; H490-D512 IonicContact CE1-OD2 3.65Å; H490-D512 IonicContact CG-OD2 2.89Å; H490-D512 IonicContact ND1-OD1 3.86Å; H490-D512 PolarHBondContact ND1-OD1 3.46Å; H490-D512 IonicContact ND1-OD2 2.77Å; H490-D512 PolarHBondContact ND1-OD2 2.8Å; H490-T514 PolarHBondContact CE1-OG1 2.79Å; H490-R516 PolarHBondContact CE1-NH1 3.49Å; H490-R516 PolarHBondContact ND1-NH1 2.58Å; H490-W518 AromaticContact CD2-CZ2 3.95Å
491	I	89.3	Confident	95.1	Very high	28 Å²	28	39.8 Å²	39.8	14%	0.144	21%	0.209	C	C	.	.	S	Bend	trans	-122.2	-2.7	-175.1	65.3	164.2	0	0	0	112.1	P156 L159 L218 L219 S471 D512	P156-I491 WeakPolarHBondContact CB-O 3.28Å; L159-I491 HydrophobicContact CD1-CB 4.12Å; L159-I491 HydrophobicContact CD1-CD1 4.05Å; L159-I491 HydrophobicContact CD1-CG2 3.46Å; L159-I491 VanDerWaalsContact CD1-CG2 3.46Å; L159-I491 HydrophobicContact CD2-CD1 4.4Å; L218-I491 HydrophobicContact CB-CD1 4.23Å; L218-I491 HydrophobicContact CD2-CD1 3.93Å; L219-I491 HydrophobicContact CD1-CD1 4.36Å; L219-I491 HydrophobicContact CD1-CG2 4.47Å; L219-I491 HydrophobicContact CD2-CD1 4.36Å; L219-I491 HydrophobicContact CG-CD1 4.09Å; S471-I491 VanDerWaalsContact OG-C 3.27Å; I491-D512 HydrophobicContact CD1-CB 4.07Å; I491-D512 HydrophobicContact CG1-CB 3.34Å; I491-D512 PolarHBondContact N-OD2 2.96Å
492	A	91.3	Very high	95.1	Very high	16 Å²	16	34.5 Å²	34.5	13%	0.132	18%	0.184	C	C	.	.	S	Bend	trans	-144.3	173.7	171	0	0	0	0	0	108.5	P156 S471 S510 D511 D512	P156-A492 HydrophobicContact CB-CB 4.41Å; S471-A492 VanDerWaalsContact CA-O 3.23Å; S471-A492 WeakPolarHBondContact CA-O 3.46Å; S471-A492 VanDerWaalsContact CB-O 3.24Å; S471-A492 WeakPolarHBondContact CB-O 3.42Å; S471-A492 WeakPolarHBondContact OG-CA 3.35Å; S471-A492 PolarHBondContact OG-N 2.98Å; S471-A492 VanDerWaalsContact OG-N 3.1Å; S471-A492 PolarHBondContact OG-O 3.35Å; A492-S510 PolarHBondContact O-OG 3.16Å; A492-D511 HydrophobicContact CB-CB 3.9Å; A492-D512 HydrophobicContact CB-CB 4.21Å
493	C	94	Very high	95.2	Very high	36 Å²	36	29.9 Å²	29.9	24%	0.243	16%	0.156	C	C	.	.			trans	-38.8	137.2	-179.9	-55.7	0	0	0	0	113.6	L453 A469 S510 D511	L453-C493 HydrophobicContact CD1-CB 3.83Å; A469-C493 PolarHBondContact O-SG 3.05Å; C493-S510 CarbonylContact O-C 3.57Å; C493-S510 WeakPolarHBondContact O-CA 3.37Å; C493-S510 WeakPolarHBondContact O-CB 3.21Å; C493-S510 PolarHBondContact O-OG 2.92Å; C493-D511 PolarHBondContact O-N 2.98Å
494	V	97.8	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	96.8	171.6	-177.2	0	0	0	0	108.3	G467 D468 A473 H490 V497 T508 G509	G467-V494 CarbonylContact C-O 3.59Å; D468-V494 PolarHBondContact O-N 3.14Å; A473-V494 HydrophobicContact CB-CG1 4.27Å; H490-V494 HydrophobicContact CB-CG2 3.92Å; V494-V497 HydrophobicContact CG1-CG1 3.98Å; V494-T508 HydrophobicContact CG1-CG2 4.3Å; V494-G509 CarbonylContact C-O 3.55Å; V494-G509 WeakPolarHBondContact CA-O 3.43Å
495	N	98.3	Very high	95.3	Very high	27 Å²	27	26.9 Å²	26.9	14%	0.144	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-22.3	-172.6	-56.5	-44.4	0	0	0	113.8	G509 D511 I536 Q537	N495-G509 PolarHBondContact N-O 2.91Å; N495-D511 PolarHBondContact ND2-OD1 2.76Å; N495-I536 WeakPolarHBondContact CB-O 3.38Å; N495-I536 PolarHBondContact ND2-O 3.3Å; N495-Q537 PolarHBondContact ND2-NE2 3.49Å
496	C	98.5	Very high	95.4	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.1	-177.8	53.2	0	0	0	0	112.8	D454 T508 G509	D454-C496 WeakPolarHBondContact OD2-CA 3.44Å; C496-T508 WeakPolarHBondContact O-CA 3.46Å; C496-G509 PolarHBondContact N-O 3.27Å; C496-G509 PolarHBondContact O-N 3.45Å
497	V	98.6	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.9	179.3	-59	0	0	0	0	110.6	D454 E456 A465 A473 V494 A507 T508	D454-V497 HydrophobicContact CB-CG2 4.25Å; D454-V497 PolarHBondContact OD2-N 3.33Å; E456-V497 HydrophobicContact CB-CG2 4.27Å; A465-V497 HydrophobicContact CB-CB 4.47Å; A465-V497 HydrophobicContact CB-CG2 4.29Å; A473-V497 HydrophobicContact CB-CG1 4.48Å; V494-V497 HydrophobicContact CG1-CG1 3.98Å; V497-A507 CarbonylContact C-O 3.58Å; V497-A507 WeakPolarHBondContact CA-O 3.43Å; V497-T508 HydrophobicContact CG1-CG2 3.98Å
498	R	98.5	Very high	95.6	Very high	60 Å²	60	19.6 Å²	19.6	23%	0.226	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.3	177	-66.8	-64.7	177.1	-96.5	2.1	111.9	D454 E456 V506 A507 L539 F541	D454-R498 IonicContact OD1-NH1 3.01Å; D454-R498 IonicContact OD2-CZ 3.12Å; D454-R498 IonicContact OD2-NH1 2.95Å; D454-R498 PolarHBondContact OD2-NH1 3.4Å; E456-R498 WeakPolarHBondContact OE1-CD 3.27Å; E456-R498 WeakPolarHBondContact OE2-CA 3.2Å; R498-V506 CarbonylContact O-C 3.45Å; R498-V506 WeakPolarHBondContact O-CA 3.31Å; R498-A507 PolarHBondContact N-O 3.05Å; R498-A507 PolarHBondContact O-N 3.25Å; R498-L539 HydrophobicContact CB-CB 4.32Å; R498-L539 HydrophobicContact CG-CB 3.68Å; R498-L539 WeakPolarHBondContact CG-O 3.49Å; R498-L539 PolarHBondContact NE-O 3.24Å; R498-F541 HydrophobicContact CB-CD2 3.84Å; R498-F541 HydrophobicContact CB-CE2 3.89Å; R498-F541 WeakPolarHBondContact O-CE2 3.48Å
499	F	98.1	Very high	96	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.026	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135	172.8	-91	-86.7	0	0	0	108	E456 P459 A465 V506 L520 F541	E456-F499 WeakPolarHBondContact O-CE2 3.49Å; E456-F499 PolarHBondContact OE1-N 3.3Å; E456-F499 VanDerWaalsContact OE1-N 3.11Å; E456-F499 VanDerWaalsContact OE2-CD2 3.24Å; E456-F499 WeakPolarHBondContact OE2-CD2 3.34Å; E456-F499 PolarHBondContact OE2-N 2.82Å; P459-F499 HydrophobicContact CG-CB 4.28Å; A465-F499 HydrophobicContact CB-CD2 4.21Å; A465-F499 HydrophobicContact CB-CE2 3.45Å; A465-F499 VanDerWaalsContact CB-CE2 3.45Å; A465-F499 HydrophobicContact CB-CZ 3.89Å; F499-V506 HydrophobicContact CD1-CG2 3.72Å; F499-V506 HydrophobicContact CE1-CG2 3.51Å; F499-V506 HydrophobicContact CE2-CG2 4.3Å; F499-V506 HydrophobicContact CG-CG2 4.23Å; F499-V506 HydrophobicContact CZ-CG2 3.81Å; F499-L520 HydrophobicContact CE1-CD1 3.62Å; F499-L520 HydrophobicContact CZ-CD1 4.24Å; F499-F541 WeakPolarHBondContact O-CD2 3.34Å
500	H	97.5	Very high	96.3	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.056	C	C	.	.			trans	-62.3	144.4	166.8	-175.4	-87.3	0	0	0	109.4	N502 S503 Y505 F541 G545	H500-N502 VanDerWaalsContact CE1-CG 3.44Å; H500-N502 PolarHBondContact CE1-ND2 2.88Å; H500-N502 PolarHBondContact ND1-N 2.79Å; H500-N502 PolarHBondContact ND1-ND2 2.95Å; H500-N502 PolarHBondContact ND1-OD1 3.08Å; H500-N502 PolarHBondContact O-N 2.93Å; H500-S503 WeakPolarHBondContact O-CA 3.27Å; H500-S503 PolarHBondContact O-N 3.06Å; H500-Y505 WeakPolarHBondContact CB-O 3.32Å; H500-Y505 PolarHBondContact N-O 3.45Å; H500-F541 HydrophobicContact CB-CE1 4.18Å; H500-F541 HydrophobicContact CB-CE2 4.21Å; H500-F541 HydrophobicContact CB-CZ 3.96Å; H500-F541 AromaticContact CD2-CD1 3.68Å; H500-F541 AromaticContact CD2-CE1 3.58Å; H500-G545 VanDerWaalsContact NE2-CA 3.25Å; H500-G545 WeakPolarHBondContact NE2-CA 3.41Å; H500-G545 PolarHBondContact NE2-O 3.31Å
501	P	94.9	Very high	96.4	Very high	26 Å²	26	12.6 Å²	12.6	17%	0.169	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.2	-175.9	-27.6	34.1	0	0	0	115.9	V235 F541	V235-P501 HydrophobicContact CG1-CB 4.18Å; V235-P501 HydrophobicContact CG2-CB 3.87Å; P501-F541 HydrophobicContact CG-CB 4.19Å
502	N	93.6	Very high	96.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.8	172.6	70.5	19.5	0	0	0	114.3	F232 G234 F236 P286 H500 N504	F232-N502 PolarHBondContact O-ND2 3.38Å; G234-N502 WeakPolarHBondContact O-CB 3.22Å; G234-N502 PolarHBondContact O-ND2 2.8Å; F236-N502 HydrophobicContact CD2-CB 4.27Å; F236-N502 HydrophobicContact CE2-CB 3.96Å; P286-N502 WeakPolarHBondContact CD-ND2 3.2Å; P286-N502 HydrophobicContact CG-CB 4.17Å; H500-N502 VanDerWaalsContact CE1-CG 3.44Å; H500-N502 PolarHBondContact CE1-ND2 2.88Å; H500-N502 PolarHBondContact ND1-N 2.79Å; H500-N502 PolarHBondContact ND1-ND2 2.95Å; H500-N502 PolarHBondContact ND1-OD1 3.08Å; H500-N502 PolarHBondContact O-N 2.93Å; N502-N504 PolarHBondContact O-N 2.81Å; N502-N504 PolarHBondContact O-ND2 3Å; N502-N504 WeakPolarHBondContact OD1-CB 3.42Å; N502-N504 PolarHBondContact OD1-N 3.12Å
503	S	94.6	Very high	96.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	58.2	0.8	-178.3	-164.1	0	0	0	0	116.6	I291 H500 Y505 L520	I291-S503 WeakPolarHBondContact CD1-O 3.41Å; H500-S503 WeakPolarHBondContact O-CA 3.27Å; H500-S503 PolarHBondContact O-N 3.06Å; S503-Y505 VanDerWaalsContact C-N 3.35Å; S503-L520 WeakPolarHBondContact O-CD2 3.42Å
504	N	96.1	Very high	96.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-86.3	-9.1	-176	-84.8	-97.9	0	0	0	113.7	P286 R290 N502 L520	P286-N504 HydrophobicContact CG-CB 4.22Å; P286-N504 WeakPolarHBondContact CG-ND2 3.29Å; R290-N504 WeakPolarHBondContact CD-OD1 3.4Å; R290-N504 WeakPolarHBondContact CG-OD1 3.33Å; R290-N504 PolarHBondContact NH1-OD1 3.48Å; N502-N504 PolarHBondContact O-N 2.81Å; N502-N504 PolarHBondContact O-ND2 3Å; N502-N504 WeakPolarHBondContact OD1-CB 3.42Å; N502-N504 PolarHBondContact OD1-N 3.12Å; N504-L520 VanDerWaalsContact O-CB 3.3Å; N504-L520 WeakPolarHBondContact O-CB 3.48Å; N504-L520 PolarHBondContact O-N 3.11Å
505	Y	97.5	Very high	96.7	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.012	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.9	-179.2	-57.7	-80.3	0	0	0	111	V231 F232 H500 S503 I517 W518 D519 V526	V231-Y505 HydrophobicContact CG1-CD1 4.48Å; V231-Y505 HydrophobicContact CG1-CD2 4.36Å; V231-Y505 HydrophobicContact CG1-CE1 4.07Å; V231-Y505 HydrophobicContact CG1-CE2 3.92Å; F232-Y505 HydrophobicContact CB-CE2 4.05Å; F232-Y505 WeakPolarHBondContact CD2-OH 3.5Å; F232-Y505 PolarHBondContact N-OH 3.46Å; F232-Y505 VanDerWaalsContact N-OH 3.08Å; F232-Y505 VanDerWaalsContact O-CE2 3.31Å; F232-Y505 WeakPolarHBondContact O-CE2 3.48Å; H500-Y505 WeakPolarHBondContact CB-O 3.32Å; H500-Y505 PolarHBondContact N-O 3.45Å; S503-Y505 VanDerWaalsContact C-N 3.35Å; Y505-I517 HydrophobicContact CD1-CG2 3.99Å; Y505-I517 HydrophobicContact CG-CG2 4.11Å; Y505-W518 CarbonylContact C-O 3.59Å; Y505-W518 WeakPolarHBondContact CA-O 3.32Å; Y505-W518 WeakPolarHBondContact CD1-O 3.39Å; Y505-D519 HydrophobicContact CD1-CB 4.24Å; Y505-D519 HydrophobicContact CE1-CB 4.05Å; Y505-V526 HydrophobicContact CD1-CG2 4Å; Y505-V526 HydrophobicContact CE1-CG2 4Å
506	V	98.4	Very high	96.7	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.012	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.3	171.1	176.5	0	0	0	0	107.6	A465 V475 R498 F499 T508 I517 W518 L520	A465-V506 HydrophobicContact CB-CG1 3.93Å; A465-V506 HydrophobicContact CB-CG2 4.17Å; V475-V506 HydrophobicContact CG2-CG2 4.24Å; R498-V506 CarbonylContact O-C 3.45Å; R498-V506 WeakPolarHBondContact O-CA 3.31Å; F499-V506 HydrophobicContact CD1-CG2 3.72Å; F499-V506 HydrophobicContact CE1-CG2 3.51Å; F499-V506 HydrophobicContact CE2-CG2 4.3Å; F499-V506 HydrophobicContact CG-CG2 4.23Å; F499-V506 HydrophobicContact CZ-CG2 3.81Å; V506-T508 HydrophobicContact CG1-CG2 4.11Å; V506-I517 CarbonylContact O-C 3.36Å; V506-I517 WeakPolarHBondContact O-CA 3.32Å; V506-W518 PolarHBondContact N-O 3.36Å; V506-W518 VanDerWaalsContact O-CD1 3.29Å; V506-W518 PolarHBondContact O-N 2.91Å; V506-L520 HydrophobicContact CG2-CD1 3.79Å
507	A	98.6	Very high	96.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.7	165.3	0	0	0	0	0	110.2	V497 R498 R516 I517 L539 F541 L548	V497-A507 CarbonylContact C-O 3.58Å; V497-A507 WeakPolarHBondContact CA-O 3.43Å; R498-A507 PolarHBondContact N-O 3.05Å; R498-A507 PolarHBondContact O-N 3.25Å; A507-R516 CarbonylContact C-O 3.58Å; A507-R516 WeakPolarHBondContact CA-O 3.44Å; A507-I517 HydrophobicContact CB-CG1 4.4Å; A507-L539 HydrophobicContact CB-CD1 4.09Å; A507-F541 HydrophobicContact CB-CE2 3.59Å; A507-F541 HydrophobicContact CB-CZ 3.45Å; A507-F541 VanDerWaalsContact CB-CZ 3.45Å; A507-L548 HydrophobicContact CB-CD1 4.12Å; A507-L548 HydrophobicContact CB-CD2 3.82Å
508	T	98.7	Very high	96.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.6	176.1	59.5	0	0	0	0	109.8	A473 H490 V494 C496 V497 V506 V515 R516 W518	A473-T508 HydrophobicContact CB-CG2 3.74Å; H490-T508 PolarHBondContact CD2-OG1 2.9Å; H490-T508 PolarHBondContact NE2-OG1 3.42Å; V494-T508 HydrophobicContact CG1-CG2 4.3Å; C496-T508 WeakPolarHBondContact O-CA 3.46Å; V497-T508 HydrophobicContact CG1-CG2 3.98Å; V506-T508 HydrophobicContact CG1-CG2 4.11Å; T508-V515 CarbonylContact O-C 3.46Å; T508-V515 VanDerWaalsContact O-CA 3.29Å; T508-V515 WeakPolarHBondContact O-CA 3.49Å; T508-R516 PolarHBondContact N-O 3.28Å; T508-R516 PolarHBondContact O-N 3.2Å; T508-W518 PolarHBondContact OG1-NE1 3.19Å
509	G	98.3	Very high	96.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.9	178.1	0	0	0	0	0	110.1	V494 N495 C496	V494-G509 CarbonylContact C-O 3.55Å; V494-G509 WeakPolarHBondContact CA-O 3.43Å; N495-G509 PolarHBondContact N-O 2.91Å; C496-G509 PolarHBondContact N-O 3.27Å; C496-G509 PolarHBondContact O-N 3.45Å
510	S	97.1	Very high	96.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.8	-170.6	168.8	0	0	0	0	113.6	H490 A492 C493 D512 R513 T514 I536	H490-S510 VanDerWaalsContact CE1-CB 3.4Å; H490-S510 WeakPolarHBondContact CE1-CB 3.35Å; H490-S510 WeakPolarHBondContact ND1-CB 3.26Å; H490-S510 PolarHBondContact ND1-OG 3.16Å; A492-S510 PolarHBondContact O-OG 3.16Å; C493-S510 CarbonylContact O-C 3.57Å; C493-S510 WeakPolarHBondContact O-CA 3.37Å; C493-S510 WeakPolarHBondContact O-CB 3.21Å; C493-S510 PolarHBondContact O-OG 2.92Å; S510-D512 VanDerWaalsContact CB-OD1 3.28Å; S510-D512 WeakPolarHBondContact CB-OD1 3.33Å; S510-D512 PolarHBondContact O-N 3.08Å; S510-D512 VanDerWaalsContact OG-CG 3.29Å; S510-D512 PolarHBondContact OG-N 3.35Å; S510-D512 PolarHBondContact OG-OD1 3.37Å; S510-R513 PolarHBondContact O-N 3.44Å; S510-T514 PolarHBondContact N-O 2.9Å; S510-I536 PolarHBondContact O-N 3.16Å
511	D	94.3	Very high	96.2	Very high	58 Å²	58	10.2 Å²	10.2	31%	0.31	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.2	168.8	-74	-26.4	0	0	0	113.8	A492 C493 N495 R513 Q537	A492-D511 HydrophobicContact CB-CB 3.9Å; C493-D511 PolarHBondContact O-N 2.98Å; N495-D511 PolarHBondContact ND2-OD1 2.76Å; D511-R513 PolarHBondContact O-N 2.88Å; D511-R513 VanDerWaalsContact O-N 3.12Å; D511-Q537 PolarHBondContact OD1-NE2 2.94Å
512	D	92.5	Very high	96.2	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	2.1	168	76.4	4	0	0	0	113.7	C217 H490 I491 A492 S510 T514 R516	C217-D512 PolarHBondContact SG-O 2.82Å; H490-D512 IonicContact CE1-OD1 3.56Å; H490-D512 IonicContact CE1-OD2 3.65Å; H490-D512 IonicContact CG-OD2 2.89Å; H490-D512 IonicContact ND1-OD1 3.86Å; H490-D512 PolarHBondContact ND1-OD1 3.46Å; H490-D512 IonicContact ND1-OD2 2.77Å; H490-D512 PolarHBondContact ND1-OD2 2.8Å; I491-D512 HydrophobicContact CD1-CB 4.07Å; I491-D512 HydrophobicContact CG1-CB 3.34Å; I491-D512 PolarHBondContact N-OD2 2.96Å; A492-D512 HydrophobicContact CB-CB 4.21Å; S510-D512 VanDerWaalsContact CB-OD1 3.28Å; S510-D512 WeakPolarHBondContact CB-OD1 3.33Å; S510-D512 PolarHBondContact O-N 3.08Å; S510-D512 VanDerWaalsContact OG-CG 3.29Å; S510-D512 PolarHBondContact OG-N 3.35Å; S510-D512 PolarHBondContact OG-OD1 3.37Å; D512-T514 VanDerWaalsContact CG-OG1 3.25Å; D512-T514 PolarHBondContact O-N 3.46Å; D512-T514 WeakPolarHBondContact OD1-CA 3.31Å; D512-T514 VanDerWaalsContact OD1-CB 3.29Å; D512-T514 WeakPolarHBondContact OD1-CB 3.25Å; D512-T514 PolarHBondContact OD1-N 2.58Å; D512-T514 PolarHBondContact OD1-OG1 2.8Å; D512-T514 PolarHBondContact OD2-OG1 2.99Å; D512-R516 IonicContact OD1-NH1 3.12Å; D512-R516 IonicContact OD2-CZ 3.74Å; D512-R516 IonicContact OD2-NH1 2.73Å; D512-R516 PolarHBondContact OD2-NH1 2.85Å; D512-R516 IonicContact OD2-NH2 2.74Å
513	R	95	Very high	96.2	Very high	11 Å²	11	13.1 Å²	13.1	4%	0.042	7%	0.07	C	C	.	.	S	Bend	trans	66.5	22.9	178.3	-44.5	177.7	176.3	177.4	-2.8	113.1	C135 Y139 G216 S510 D511 H532 K533 A534	C135-R513 PolarHBondContact O-NH1 2.94Å; C135-R513 PolarHBondContact O-NH2 3.25Å; C135-R513 VanDerWaalsContact O-NH2 3.13Å; Y139-R513 WeakPolarHBondContact OH-CD 3.18Å; Y139-R513 PolarHBondContact OH-NE 2.89Å; G216-R513 WeakPolarHBondContact O-CD 3.34Å; G216-R513 PolarHBondContact O-NH1 2.72Å; S510-R513 PolarHBondContact O-N 3.44Å; D511-R513 PolarHBondContact O-N 2.88Å; D511-R513 VanDerWaalsContact O-N 3.12Å; R513-H532 HydrophobicContact CB-CB 4.34Å; R513-K533 PolarHBondContact NE-O 2.82Å; R513-K533 PolarHBondContact NH1-O 2.97Å; R513-K533 PolarHBondContact NH2-O 3.45Å; R513-A534 WeakPolarHBondContact CG-O 3.48Å
514	T	95.2	Very high	96.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.			trans	-116.6	152.7	176.5	74.1	0	0	0	0	111.9	C217 H490 S510 D512 R516 L528 F529 T530	C217-T514 HydrophobicContact CB-CG2 4.17Å; C217-T514 WeakPolarHBondContact SG-CG2 3.24Å; H490-T514 PolarHBondContact CE1-OG1 2.79Å; S510-T514 PolarHBondContact N-O 2.9Å; D512-T514 VanDerWaalsContact CG-OG1 3.25Å; D512-T514 PolarHBondContact O-N 3.46Å; D512-T514 WeakPolarHBondContact OD1-CA 3.31Å; D512-T514 VanDerWaalsContact OD1-CB 3.29Å; D512-T514 WeakPolarHBondContact OD1-CB 3.25Å; D512-T514 PolarHBondContact OD1-N 2.58Å; D512-T514 PolarHBondContact OD1-OG1 2.8Å; D512-T514 PolarHBondContact OD2-OG1 2.99Å; T514-R516 PolarHBondContact OG1-NH1 3.27Å; T514-L528 HydrophobicContact CG2-CD1 3.9Å; T514-F529 WeakPolarHBondContact CA-O 3.44Å; T514-T530 HydrophobicContact CG2-CG2 4.35Å
515	V	97.4	Very high	96.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129	164.5	-177.8	0	0	0	0	108	T508 F529 I536 L539 L548	T508-V515 CarbonylContact O-C 3.46Å; T508-V515 VanDerWaalsContact O-CA 3.29Å; T508-V515 WeakPolarHBondContact O-CA 3.49Å; V515-F529 HydrophobicContact CB-CB 4.14Å; V515-F529 HydrophobicContact CB-CD2 3.96Å; V515-F529 HydrophobicContact CG1-CD2 3.96Å; V515-F529 PolarHBondContact N-O 3.07Å; V515-F529 VanDerWaalsContact N-O 3.16Å; V515-F529 PolarHBondContact O-N 2.98Å; V515-I536 HydrophobicContact CG2-CD1 4.17Å; V515-I536 HydrophobicContact CG2-CG1 3.86Å; V515-I536 HydrophobicContact CG2-CG2 4.1Å; V515-L539 HydrophobicContact CB-CD2 4.5Å; V515-L539 HydrophobicContact CG1-CD1 4.29Å; V515-L539 HydrophobicContact CG1-CD2 3.73Å; V515-L539 HydrophobicContact CG2-CD2 3.89Å; V515-L548 HydrophobicContact CG1-CD2 3.56Å
516	R	97.1	Very high	96	Very high	10 Å²	10	18.4 Å²	18.4	4%	0.038	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.4	177.7	-70.9	-175.8	173.4	85.8	4.7	110.3	K489 H490 A507 T508 D512 T514 W518 R527 L528	K489-R516 VanDerWaalsContact O-CZ 3.28Å; K489-R516 PolarHBondContact O-NH2 3.21Å; H490-R516 PolarHBondContact CE1-NH1 3.49Å; H490-R516 PolarHBondContact ND1-NH1 2.58Å; A507-R516 CarbonylContact C-O 3.58Å; A507-R516 WeakPolarHBondContact CA-O 3.44Å; T508-R516 PolarHBondContact N-O 3.28Å; T508-R516 PolarHBondContact O-N 3.2Å; D512-R516 IonicContact OD1-NH1 3.12Å; D512-R516 IonicContact OD2-CZ 3.74Å; D512-R516 IonicContact OD2-NH1 2.73Å; D512-R516 PolarHBondContact OD2-NH1 2.85Å; D512-R516 IonicContact OD2-NH2 2.74Å; T514-R516 PolarHBondContact OG1-NH1 3.27Å; R516-W518 HydrophobicContact CB-CZ2 3.85Å; R516-W518 VanDerWaalsContact CD-CZ2 3.4Å; R516-W518 HydrophobicContact CG-CZ2 4.26Å; R516-R527 WeakPolarHBondContact CA-O 3.42Å; R516-L528 HydrophobicContact CG-CD1 3.74Å
517	I	97.9	Very high	95.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.6	165.7	-58.3	-177.7	0	0	0	108.4	Y505 V506 A507 C525 V526 R527 F529 L548 I562	Y505-I517 HydrophobicContact CD1-CG2 3.99Å; Y505-I517 HydrophobicContact CG-CG2 4.11Å; V506-I517 CarbonylContact O-C 3.36Å; V506-I517 WeakPolarHBondContact O-CA 3.32Å; A507-I517 HydrophobicContact CB-CG1 4.4Å; I517-C525 CarbonylContact O-C 3.59Å; I517-C525 WeakPolarHBondContact O-CA 3.15Å; I517-V526 HydrophobicContact CB-CG2 4.16Å; I517-V526 HydrophobicContact CG2-CG2 3.81Å; I517-V526 WeakPolarHBondContact O-CG2 3.27Å; I517-V526 PolarHBondContact O-N 2.82Å; I517-R527 HydrophobicContact CB-CB 3.87Å; I517-R527 HydrophobicContact CB-CG 4.28Å; I517-R527 HydrophobicContact CD1-CB 4.17Å; I517-R527 HydrophobicContact CD1-CG 4.14Å; I517-R527 HydrophobicContact CG1-CB 4.04Å; I517-R527 HydrophobicContact CG1-CG 4.48Å; I517-R527 PolarHBondContact N-O 3.1Å; I517-R527 PolarHBondContact O-N 3.21Å; I517-F529 HydrophobicContact CD1-CE2 3.59Å; I517-F529 HydrophobicContact CD1-CZ 3.89Å; I517-F529 HydrophobicContact CG1-CE2 3.76Å; I517-F529 HydrophobicContact CG1-CZ 4.48Å; I517-L548 HydrophobicContact CD1-CD2 4.31Å; I517-L548 HydrophobicContact CG1-CD2 4.36Å; I517-I562 HydrophobicContact CD1-CB 4.36Å; I517-I562 HydrophobicContact CD1-CG1 4.02Å; I517-I562 HydrophobicContact CD1-CG2 3.79Å
518	W	97.5	Very high	95.6	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.6	-177.5	-51.1	89.9	0	0	0	110	L487 K489 H490 Y505 V506 T508 R516 Q524 C525	L487-W518 HydrophobicContact CB-CD2 3.91Å; L487-W518 HydrophobicContact CB-CE3 3.99Å; L487-W518 HydrophobicContact CB-CG 4.45Å; L487-W518 HydrophobicContact CB-CH2 4.05Å; L487-W518 HydrophobicContact CB-CZ2 4.03Å; L487-W518 HydrophobicContact CB-CZ3 4.05Å; L487-W518 HydrophobicContact CD1-CB 4.01Å; L487-W518 HydrophobicContact CD1-CD2 4.06Å; L487-W518 HydrophobicContact CD1-CG 3.71Å; L487-W518 HydrophobicContact CD2-CB 3.98Å; L487-W518 HydrophobicContact CD2-CD2 3.9Å; L487-W518 HydrophobicContact CD2-CE3 3.73Å; L487-W518 HydrophobicContact CD2-CG 4.01Å; L487-W518 HydrophobicContact CD2-CZ3 4.39Å; L487-W518 HydrophobicContact CG-CD2 4.17Å; L487-W518 HydrophobicContact CG-CE3 4.33Å; L487-W518 HydrophobicContact CG-CG 4.27Å; K489-W518 HydrophobicContact CB-CH2 3.55Å; K489-W518 HydrophobicContact CB-CZ2 4.45Å; K489-W518 HydrophobicContact CB-CZ3 4.28Å; K489-W518 HydrophobicContact CD-CH2 4.14Å; K489-W518 HydrophobicContact CD-CZ3 4.05Å; K489-W518 HydrophobicContact CG-CH2 3.7Å; K489-W518 HydrophobicContact CG-CZ3 3.92Å; H490-W518 AromaticContact CD2-CZ2 3.95Å; Y505-W518 CarbonylContact C-O 3.59Å; Y505-W518 WeakPolarHBondContact CA-O 3.32Å; Y505-W518 WeakPolarHBondContact CD1-O 3.39Å; V506-W518 PolarHBondContact N-O 3.36Å; V506-W518 VanDerWaalsContact O-CD1 3.29Å; V506-W518 PolarHBondContact O-N 2.91Å; T508-W518 PolarHBondContact OG1-NE1 3.19Å; R516-W518 HydrophobicContact CB-CZ2 3.85Å; R516-W518 VanDerWaalsContact CD-CZ2 3.4Å; R516-W518 HydrophobicContact CG-CZ2 4.26Å; W518-Q524 WeakPolarHBondContact CA-O 3.45Å; W518-C525 HydrophobicContact CD2-CB 4.21Å; W518-C525 HydrophobicContact CE3-CB 3.62Å; W518-C525 VanDerWaalsContact CE3-N 3.35Å; W518-C525 HydrophobicContact CH2-CB 4.16Å; W518-C525 HydrophobicContact CZ3-CB 3.61Å
519	D	95.8	Very high	95.4	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.053	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.1	171.5	177.6	6	0	0	0	110.3	R290 Y505 L521 N522 G523 Q524 V526	R290-D519 IonicContact CZ-OD1 3.14Å; R290-D519 IonicContact CZ-OD2 2.76Å; R290-D519 IonicContact NH1-OD1 3.69Å; R290-D519 PolarHBondContact NH1-OD1 3.34Å; R290-D519 IonicContact NH2-OD1 3.14Å; R290-D519 PolarHBondContact NH2-OD1 3.2Å; R290-D519 IonicContact NH2-OD2 3.7Å; R290-D519 PolarHBondContact NH2-OD2 3.03Å; Y505-D519 HydrophobicContact CD1-CB 4.24Å; Y505-D519 HydrophobicContact CE1-CB 4.05Å; D519-L521 PolarHBondContact O-N 3.24Å; D519-L521 WeakPolarHBondContact OD1-CB 3.25Å; D519-L521 PolarHBondContact OD1-N 3.21Å; D519-N522 WeakPolarHBondContact CB-OD1 3.36Å; D519-N522 PolarHBondContact O-N 2.96Å; D519-N522 PolarHBondContact OD2-ND2 3.17Å; D519-N522 PolarHBondContact OD2-OD1 3.09Å; D519-G523 VanDerWaalsContact O-CA 3.29Å; D519-G523 WeakPolarHBondContact O-CA 3.47Å; D519-G523 PolarHBondContact O-N 3.37Å; D519-Q524 PolarHBondContact N-O 3.29Å; D519-V526 HydrophobicContact CB-CG1 3.86Å
520	L	96.1	Very high	95.2	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.052	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.1	-179.4	-154.4	87.7	0	0	0	112.2	I291 Y463 V475 R485 F499 S503 N504 V506 N522	I291-L520 HydrophobicContact CB-CD2 4.44Å; I291-L520 HydrophobicContact CD1-CD2 3.45Å; I291-L520 VanDerWaalsContact CD1-CD2 3.45Å; I291-L520 HydrophobicContact CG2-CB 4.36Å; I291-L520 HydrophobicContact CG2-CD2 4.23Å; Y463-L520 HydrophobicContact CD1-CD2 4.2Å; Y463-L520 HydrophobicContact CD2-CD2 4.23Å; Y463-L520 HydrophobicContact CE1-CD2 4.32Å; Y463-L520 HydrophobicContact CE2-CD2 4.34Å; Y463-L520 HydrophobicContact CG-CD2 4.16Å; V475-L520 HydrophobicContact CB-CD1 4.29Å; V475-L520 HydrophobicContact CG1-CD1 3.45Å; V475-L520 VanDerWaalsContact CG1-CD1 3.45Å; V475-L520 HydrophobicContact CG1-CG 4.12Å; V475-L520 HydrophobicContact CG2-CD1 3.87Å; R485-L520 PolarHBondContact NE-O 2.78Å; F499-L520 HydrophobicContact CE1-CD1 3.62Å; F499-L520 HydrophobicContact CZ-CD1 4.24Å; S503-L520 WeakPolarHBondContact O-CD2 3.42Å; N504-L520 VanDerWaalsContact O-CB 3.3Å; N504-L520 WeakPolarHBondContact O-CB 3.48Å; N504-L520 PolarHBondContact O-N 3.11Å; V506-L520 HydrophobicContact CG2-CD1 3.79Å; L520-N522 PolarHBondContact O-N 3.09Å
521	L	94.6	Very high	94.9	Very high	77 Å²	77	19.7 Å²	19.7	40%	0.403	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-40.1	-174.2	178.1	59.2	0	0	0	112	R290 I291 R485 D519	R290-L521 HydrophobicContact CG-CD2 4.25Å; R290-L521 WeakPolarHBondContact O-CD1 3.46Å; I291-L521 HydrophobicContact CG2-CB 4.21Å; R485-L521 PolarHBondContact NE-O 2.98Å; R485-L521 PolarHBondContact NH2-O 3.36Å; D519-L521 PolarHBondContact O-N 3.24Å; D519-L521 WeakPolarHBondContact OD1-CB 3.25Å; D519-L521 PolarHBondContact OD1-N 3.21Å
522	N	93.2	Very high	94.9	Very high	76 Å²	76	16.9 Å²	16.9	41%	0.406	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-1.3	-172.1	59.2	29	0	0	0	114	D519 L520 Q524	D519-N522 WeakPolarHBondContact CB-OD1 3.36Å; D519-N522 PolarHBondContact O-N 2.96Å; D519-N522 PolarHBondContact OD2-ND2 3.17Å; D519-N522 PolarHBondContact OD2-OD1 3.09Å; L520-N522 PolarHBondContact O-N 3.09Å; N522-Q524 HydrophobicContact CB-CG 4.38Å; N522-Q524 PolarHBondContact O-N 2.87Å; N522-Q524 VanDerWaalsContact OD1-CB 3.25Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.19Å; N522-Q524 WeakPolarHBondContact OD1-CG 3.06Å; N522-Q524 PolarHBondContact OD1-N 3.22Å
523	G	94.3	Very high	94.9	Very high	11 Å²	11	18 Å²	18	11%	0.113	9%	0.093	C	C	.	.			trans	70.1	7.9	-178.6	0	0	0	0	0	114.5	D519	D519-G523 VanDerWaalsContact O-CA 3.29Å; D519-G523 WeakPolarHBondContact O-CA 3.47Å; D519-G523 PolarHBondContact O-N 3.37Å
524	Q	94.1	Very high	94.9	Very high	96 Å²	96	18 Å²	18	45%	0.449	10%	0.096	S	C	.	.			trans	-79.6	136.9	-179.2	-64.4	-60.3	-34.1	0	0	110.8	W518 D519 N522 V526	W518-Q524 WeakPolarHBondContact CA-O 3.45Å; D519-Q524 PolarHBondContact N-O 3.29Å; N522-Q524 HydrophobicContact CB-CG 4.38Å; N522-Q524 PolarHBondContact O-N 2.87Å; N522-Q524 VanDerWaalsContact OD1-CB 3.25Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.19Å; N522-Q524 WeakPolarHBondContact OD1-CG 3.06Å; N522-Q524 PolarHBondContact OD1-N 3.22Å; Q524-V526 PolarHBondContact O-N 3.27Å
525	C	94.5	Very high	94.9	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.061	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.7	164.6	179.4	0	0	0	0	108.3	L226 K489 I517 W518 R527	L226-C525 WeakPolarHBondContact CD1-O 3.49Å; K489-C525 HydrophobicContact CD-CB 3.88Å; I517-C525 CarbonylContact O-C 3.59Å; I517-C525 WeakPolarHBondContact O-CA 3.15Å; W518-C525 HydrophobicContact CD2-CB 4.21Å; W518-C525 HydrophobicContact CE3-CB 3.62Å; W518-C525 VanDerWaalsContact CE3-N 3.35Å; W518-C525 HydrophobicContact CH2-CB 4.16Å; W518-C525 HydrophobicContact CZ3-CB 3.61Å; C525-R527 PolarHBondContact SG-O 2.64Å
526	V	95.1	Very high	94.9	Very high	8 Å²	8	18.3 Å²	18.3	5%	0.048	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-17.2	179.9	-66.2	0	0	0	0	112.9	L226 T229 V231 Y505 I517 D519 Q524	L226-V526 VanDerWaalsContact O-O 3.04Å; T229-V526 HydrophobicContact CG2-CB 4.46Å; T229-V526 HydrophobicContact CG2-CG1 4.19Å; V231-V526 HydrophobicContact CG2-CB 3.91Å; V231-V526 HydrophobicContact CG2-CG2 3.77Å; Y505-V526 HydrophobicContact CD1-CG2 4Å; Y505-V526 HydrophobicContact CE1-CG2 4Å; I517-V526 HydrophobicContact CB-CG2 4.16Å; I517-V526 HydrophobicContact CG2-CG2 3.81Å; I517-V526 WeakPolarHBondContact O-CG2 3.27Å; I517-V526 PolarHBondContact O-N 2.82Å; D519-V526 HydrophobicContact CB-CG1 3.86Å; Q524-V526 PolarHBondContact O-N 3.27Å
527	R	95	Very high	95	Very high	3 Å²	3	21 Å²	21	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.6	168.8	-63.1	-69.2	-179.3	-97.4	5.3	110.5	L226 N227 T229 V231 R516 I517 C525 F529 I562 A563	L226-R527 PolarHBondContact O-NH1 3.37Å; L226-R527 VanDerWaalsContact O-NH1 3.11Å; N227-R527 PolarHBondContact O-NH2 2.89Å; T229-R527 VanDerWaalsContact O-CZ 3.27Å; T229-R527 PolarHBondContact O-NH1 2.87Å; T229-R527 PolarHBondContact O-NH2 3.49Å; V231-R527 HydrophobicContact CG2-CG 4.44Å; V231-R527 VanDerWaalsContact CG2-CZ 3.44Å; R516-R527 WeakPolarHBondContact CA-O 3.42Å; I517-R527 HydrophobicContact CB-CB 3.87Å; I517-R527 HydrophobicContact CB-CG 4.28Å; I517-R527 HydrophobicContact CD1-CB 4.17Å; I517-R527 HydrophobicContact CD1-CG 4.14Å; I517-R527 HydrophobicContact CG1-CB 4.04Å; I517-R527 HydrophobicContact CG1-CG 4.48Å; I517-R527 PolarHBondContact N-O 3.1Å; I517-R527 PolarHBondContact O-N 3.21Å; C525-R527 PolarHBondContact SG-O 2.64Å; R527-F529 HydrophobicContact CB-CE1 4.49Å; R527-F529 HydrophobicContact CB-CE2 4.03Å; R527-F529 HydrophobicContact CB-CZ 3.95Å; R527-F529 HydrophobicContact CG-CZ 4.22Å; R527-I562 PolarHBondContact NE-O 2.89Å; R527-A563 PolarHBondContact NH2-O 3.14Å
528	L	94.3	Very high	95	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.079	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.8	168.5	174.8	61.2	0	0	0	107.1	A222 L226 T514 R516 T530	A222-L528 HydrophobicContact CB-CB 4.04Å; A222-L528 HydrophobicContact CB-CD2 4.26Å; A222-L528 HydrophobicContact CB-CG 4.05Å; A222-L528 WeakPolarHBondContact CB-O 3.14Å; L226-L528 HydrophobicContact CD2-CB 3.44Å; L226-L528 VanDerWaalsContact CD2-CB 3.44Å; T514-L528 HydrophobicContact CG2-CD1 3.9Å; R516-L528 HydrophobicContact CG-CD1 3.74Å; L528-T530 HydrophobicContact CD1-CG2 4.43Å; L528-T530 HydrophobicContact CD2-CG2 4.35Å; L528-T530 HydrophobicContact CG-CG2 4.04Å
529	F	94.4	Very high	95.1	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.6	175.8	-55.8	-69.9	0	0	0	108.9	T514 V515 I517 R527 L548 W560	T514-F529 WeakPolarHBondContact CA-O 3.44Å; V515-F529 HydrophobicContact CB-CB 4.14Å; V515-F529 HydrophobicContact CB-CD2 3.96Å; V515-F529 HydrophobicContact CG1-CD2 3.96Å; V515-F529 PolarHBondContact N-O 3.07Å; V515-F529 VanDerWaalsContact N-O 3.16Å; V515-F529 PolarHBondContact O-N 2.98Å; I517-F529 HydrophobicContact CD1-CE2 3.59Å; I517-F529 HydrophobicContact CD1-CZ 3.89Å; I517-F529 HydrophobicContact CG1-CE2 3.76Å; I517-F529 HydrophobicContact CG1-CZ 4.48Å; R527-F529 HydrophobicContact CB-CE1 4.49Å; R527-F529 HydrophobicContact CB-CE2 4.03Å; R527-F529 HydrophobicContact CB-CZ 3.95Å; R527-F529 HydrophobicContact CG-CZ 4.22Å; F529-L548 HydrophobicContact CD2-CD2 4.29Å; F529-L548 HydrophobicContact CE2-CD2 3.85Å; F529-W560 HydrophobicContact CB-CD2 3.8Å; F529-W560 HydrophobicContact CB-CE3 3.77Å; F529-W560 HydrophobicContact CB-CG 4.44Å; F529-W560 HydrophobicContact CB-CH2 4Å; F529-W560 HydrophobicContact CB-CZ2 4.05Å; F529-W560 HydrophobicContact CB-CZ3 3.86Å; F529-W560 HydrophobicContact CD1-CB 3.97Å; F529-W560 AromaticContact CD1-CD2 3.76Å; F529-W560 HydrophobicContact CD1-CD2 3.76Å; F529-W560 AromaticContact CD1-CE3 3.48Å; F529-W560 HydrophobicContact CD1-CE3 3.48Å; F529-W560 VanDerWaalsContact CD1-CE3 3.48Å; F529-W560 AromaticContact CD1-CG 3.98Å; F529-W560 HydrophobicContact CD1-CG 3.98Å; F529-W560 HydrophobicContact CD1-CZ3 4.2Å; F529-W560 HydrophobicContact CD2-CG 4.35Å; F529-W560 HydrophobicContact CE1-CB 3.71Å; F529-W560 HydrophobicContact CE1-CD2 4.43Å; F529-W560 HydrophobicContact CE1-CE3 4.28Å; F529-W560 HydrophobicContact CE1-CG 4.22Å; F529-W560 HydrophobicContact CE2-CB 4.36Å; F529-W560 HydrophobicContact CG-CB 4.38Å; F529-W560 AromaticContact CG-CD2 3.81Å; F529-W560 HydrophobicContact CG-CD2 3.81Å; F529-W560 AromaticContact CG-CE3 3.87Å; F529-W560 HydrophobicContact CG-CE3 3.87Å; F529-W560 HydrophobicContact CG-CG 4.03Å; F529-W560 HydrophobicContact CG-CZ3 4.43Å; F529-W560 HydrophobicContact CZ-CB 3.94Å
530	T	93	Very high	95.2	Very high	10 Å²	10	20.9 Å²	20.9	6%	0.061	11%	0.113	C	C	.	.			trans	-121.8	142.1	179.2	55.6	0	0	0	0	108.4	C217 G220 A222 T514 L528	C217-T530 HydrophobicContact CB-CG2 4.23Å; G220-T530 WeakPolarHBondContact O-CG2 3.18Å; A222-T530 HydrophobicContact CB-CG2 4.42Å; A222-T530 PolarHBondContact N-OG1 2.91Å; T514-T530 HydrophobicContact CG2-CG2 4.35Å; L528-T530 HydrophobicContact CD1-CG2 4.43Å; L528-T530 HydrophobicContact CD2-CG2 4.35Å; L528-T530 HydrophobicContact CG-CG2 4.04Å
531	G	91.4	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.			trans	153.1	-27.7	-179.5	0	0	0	0	0	112.9	N213 R215 K533	N213-G531 VanDerWaalsContact O-CA 3.24Å; N213-G531 WeakPolarHBondContact O-CA 3.36Å; R215-G531 CarbonylContact O-C 3.59Å; R215-G531 WeakPolarHBondContact O-CA 3.29Å; G531-K533 VanDerWaalsContact O-CE 3.23Å; G531-K533 WeakPolarHBondContact O-CE 3.41Å
532	H	94.6	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.			trans	-62.6	143.2	175	-78.5	-73.1	0	0	0	112.5	G216 R513 I536 S550 A552 M558 W560	G216-H532 CarbonylContact C-O 3.58Å; G216-H532 WeakPolarHBondContact CA-O 3.37Å; R513-H532 HydrophobicContact CB-CB 4.34Å; H532-I536 HydrophobicContact CB-CD1 3.69Å; H532-I536 WeakPolarHBondContact CD2-CD1 3.38Å; H532-S550 PolarHBondContact CE1-OG 2.82Å; H532-S550 PolarHBondContact NE2-OG 2.84Å; H532-A552 WeakPolarHBondContact ND1-CB 3.26Å; H532-M558 PolarHBondContact CE1-SD 3.35Å; H532-W560 AromaticContact CD2-CZ2 3.73Å; H532-W560 AromaticContact NE2-CZ2 3.74Å
533	K	93	Very high	95.3	Very high	25 Å²	25	15.9 Å²	15.9	11%	0.109	9%	0.088	C	C	.	.	S	Bend	trans	-100.7	-4	179.6	-45	-56.2	175.5	173.1	0	113.3	C135 E212 R215 R513 G531	C135-K533 HydrophobicContact CB-CB 3.95Å; C135-K533 HydrophobicContact CB-CD 3.85Å; C135-K533 HydrophobicContact CB-CG 4.19Å; E212-K533 PolarHBondContact O-NZ 3.25Å; E212-K533 WeakPolarHBondContact OE1-CE 3.31Å; E212-K533 IonicContact OE1-NZ 3.62Å; E212-K533 PolarHBondContact OE1-NZ 3.3Å; R215-K533 VanDerWaalsContact C-NZ 3.35Å; R215-K533 WeakPolarHBondContact O-CE 3.36Å; R215-K533 PolarHBondContact O-NZ 3.3Å; R513-K533 PolarHBondContact NE-O 2.82Å; R513-K533 PolarHBondContact NH1-O 2.97Å; R513-K533 PolarHBondContact NH2-O 3.45Å; G531-K533 VanDerWaalsContact O-CE 3.23Å; G531-K533 WeakPolarHBondContact O-CE 3.41Å
534	A	94.3	Very high	95.2	Very high	13 Å²	13	17.9 Å²	17.9	11%	0.107	10%	0.096	C	C	.	.	S	Bend	trans	-146.8	169.9	179.9	0	0	0	0	0	110.4	R513 S553 N554	R513-A534 WeakPolarHBondContact CG-O 3.48Å; A534-S553 VanDerWaalsContact CB-OG 3.25Å; A534-S553 WeakPolarHBondContact CB-OG 3.39Å; A534-N554 HydrophobicContact CB-CB 3.7Å
535	G	95	Very high	95.2	Very high	6 Å²	6	13.3 Å²	13.3	6%	0.062	8%	0.075	C	C	.	.			trans	-61.9	145	-176.3	0	0	0	0	0	112.1	A552 S553	G535-A552 CarbonylContact O-C 3.47Å; G535-A552 WeakPolarHBondContact O-CA 3.48Å; G535-S553 PolarHBondContact N-OG 3.11Å; G535-S553 PolarHBondContact O-N 3.07Å; G535-S553 PolarHBondContact O-OG 2.86Å
536	I	98.3	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.7	179.9	-46.3	-55.9	0	0	0	109	N495 S510 V515 H532 L539	N495-I536 WeakPolarHBondContact CB-O 3.38Å; N495-I536 PolarHBondContact ND2-O 3.3Å; S510-I536 PolarHBondContact O-N 3.16Å; V515-I536 HydrophobicContact CG2-CD1 4.17Å; V515-I536 HydrophobicContact CG2-CG1 3.86Å; V515-I536 HydrophobicContact CG2-CG2 4.1Å; H532-I536 HydrophobicContact CB-CD1 3.69Å; H532-I536 WeakPolarHBondContact CD2-CD1 3.38Å; I536-L539 HydrophobicContact CG2-CD2 4.15Å; I536-L539 HydrophobicContact CG2-CG 4.33Å
537	Q	98.2	Very high	95.2	Very high	66 Å²	66	19.4 Å²	19.4	31%	0.308	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-19.8	-173.3	-63.7	-65.8	-37.9	0	0	112.1	N495 D511 G551 T577	N495-Q537 PolarHBondContact ND2-NE2 3.49Å; D511-Q537 PolarHBondContact OD1-NE2 2.94Å; Q537-G551 PolarHBondContact N-O 2.77Å; Q537-T577 HydrophobicContact CB-CG2 3.89Å; Q537-T577 HydrophobicContact CG-CG2 3.74Å
538	S	98.3	Very high	95.4	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.5	176.4	52.3	0	0	0	0	112.1	S550 G551 V578	S538-S550 CarbonylContact O-C 3.45Å; S538-S550 VanDerWaalsContact O-CA 3.32Å; S538-S550 WeakPolarHBondContact O-CA 3.48Å; S538-G551 PolarHBondContact N-O 3.28Å; S538-G551 PolarHBondContact O-N 2.67Å; S538-G551 WeakPolarHBondContact OG-CA 3.49Å; S538-V578 PolarHBondContact OG-O 2.84Å
539	L	98.7	Very high	95.6	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.4	175	-73	175.5	0	0	0	109.8	R498 A507 V515 I536 L548 A549	R498-L539 HydrophobicContact CB-CB 4.32Å; R498-L539 HydrophobicContact CG-CB 3.68Å; R498-L539 WeakPolarHBondContact CG-O 3.49Å; R498-L539 PolarHBondContact NE-O 3.24Å; A507-L539 HydrophobicContact CB-CD1 4.09Å; V515-L539 HydrophobicContact CB-CD2 4.5Å; V515-L539 HydrophobicContact CG1-CD1 4.29Å; V515-L539 HydrophobicContact CG1-CD2 3.73Å; V515-L539 HydrophobicContact CG2-CD2 3.89Å; I536-L539 HydrophobicContact CG2-CD2 4.15Å; I536-L539 HydrophobicContact CG2-CG 4.33Å; L539-L548 HydrophobicContact CD2-CD1 4.21Å; L539-L548 HydrophobicContact CD2-CG 4.4Å; L539-A549 WeakPolarHBondContact CA-O 3.45Å; L539-A549 WeakPolarHBondContact CD2-O 3.46Å
540	G	98	Very high	95.8	Very high	6 Å²	6	18.5 Å²	18.5	6%	0.062	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	131.8	172	0	0	0	0	0	111	L548 A549 F583	G540-L548 WeakPolarHBondContact O-CD1 3.25Å; G540-A549 PolarHBondContact N-O 2.91Å; G540-A549 VanDerWaalsContact N-O 3.08Å; G540-A549 PolarHBondContact O-N 3.28Å; G540-F583 VanDerWaalsContact O-CE2 3.29Å; G540-F583 WeakPolarHBondContact O-CE2 3.43Å
541	F	98.2	Very high	96	Very high	18 Å²	18	18 Å²	18	8%	0.079	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144	171.8	-80.3	-78	0	0	0	110.5	R498 F499 H500 P501 A507 L548 I562	R498-F541 HydrophobicContact CB-CD2 3.84Å; R498-F541 HydrophobicContact CB-CE2 3.89Å; R498-F541 WeakPolarHBondContact O-CE2 3.48Å; F499-F541 WeakPolarHBondContact O-CD2 3.34Å; H500-F541 HydrophobicContact CB-CE1 4.18Å; H500-F541 HydrophobicContact CB-CE2 4.21Å; H500-F541 HydrophobicContact CB-CZ 3.96Å; H500-F541 AromaticContact CD2-CD1 3.68Å; H500-F541 AromaticContact CD2-CE1 3.58Å; P501-F541 HydrophobicContact CG-CB 4.19Å; A507-F541 HydrophobicContact CB-CE2 3.59Å; A507-F541 HydrophobicContact CB-CZ 3.45Å; A507-F541 VanDerWaalsContact CB-CZ 3.45Å; F541-L548 HydrophobicContact CD1-CB 4.31Å; F541-L548 HydrophobicContact CD1-CD1 3.92Å; F541-L548 HydrophobicContact CD2-CD1 4.16Å; F541-L548 HydrophobicContact CE1-CB 4.21Å; F541-L548 HydrophobicContact CE1-CD1 3.86Å; F541-L548 HydrophobicContact CE1-CD2 4.43Å; F541-L548 HydrophobicContact CE1-CG 4.4Å; F541-L548 HydrophobicContact CE2-CD1 4.1Å; F541-L548 HydrophobicContact CG-CD1 4.09Å; F541-L548 HydrophobicContact CZ-CD1 3.98Å; F541-I562 HydrophobicContact CD1-CD1 3.56Å; F541-I562 HydrophobicContact CE1-CD1 3.46Å; F541-I562 VanDerWaalsContact CE1-CD1 3.46Å; F541-I562 HydrophobicContact CE1-CG1 4.3Å
542	S	96.4	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.			trans	-67.1	140.5	166.6	70	0	0	0	0	109.9	D544 G545 R546 M547	S542-D544 WeakPolarHBondContact CB-OD1 3.45Å; S542-D544 PolarHBondContact O-N 2.76Å; S542-D544 VanDerWaalsContact O-N 3.08Å; S542-D544 PolarHBondContact OG-OD1 2.99Å; S542-G545 WeakPolarHBondContact O-CA 3.46Å; S542-G545 PolarHBondContact O-N 3.25Å; S542-R546 PolarHBondContact OG-N 2.94Å; S542-M547 PolarHBondContact N-O 2.99Å; S542-M547 PolarHBondContact OG-N 3.43Å; S542-M547 PolarHBondContact OG-O 3.14Å
543	P	93.1	Very high	96.4	Very high	40 Å²	40	20.1 Å²	20.1	26%	0.26	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.8	-177.5	-32	39.3	0	0	0	115	G545 F583	P543-G545 VanDerWaalsContact C-N 3.32Å; P543-F583 HydrophobicContact CG-CB 4.45Å
544	D	91.3	Very high	96.5	Very high	52 Å²	52	21.6 Å²	21.6	28%	0.278	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.8	172.5	71.3	-28.9	0	0	0	114.1	S542 R546 S587	S542-D544 WeakPolarHBondContact CB-OD1 3.45Å; S542-D544 PolarHBondContact O-N 2.76Å; S542-D544 VanDerWaalsContact O-N 3.08Å; S542-D544 PolarHBondContact OG-OD1 2.99Å; D544-R546 VanDerWaalsContact C-N 3.29Å; D544-R546 PolarHBondContact O-N 2.88Å; D544-R546 WeakPolarHBondContact OD2-CD 3.46Å; D544-S587 VanDerWaalsContact CG-OG 3.25Å; D544-S587 PolarHBondContact N-OG 2.77Å; D544-S587 PolarHBondContact OD1-OG 3.16Å
545	G	93.6	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	75.2	8.9	174.5	0	0	0	0	0	115.2	S233 H500 S542 P543 I562	S233-G545 VanDerWaalsContact CB-O 3.32Å; S233-G545 WeakPolarHBondContact CB-O 3.16Å; S233-G545 CarbonylContact O-C 3.59Å; S233-G545 VanDerWaalsContact O-C 3.29Å; S233-G545 WeakPolarHBondContact O-CA 3.43Å; S233-G545 VanDerWaalsContact O-O 3.08Å; H500-G545 VanDerWaalsContact NE2-CA 3.25Å; H500-G545 WeakPolarHBondContact NE2-CA 3.41Å; H500-G545 PolarHBondContact NE2-O 3.31Å; S542-G545 WeakPolarHBondContact O-CA 3.46Å; S542-G545 PolarHBondContact O-N 3.25Å; P543-G545 VanDerWaalsContact C-N 3.32Å; G545-I562 WeakPolarHBondContact O-CD1 3.32Å
546	R	94.5	Very high	96.6	Very high	124 Å²	124	21.2 Å²	21.2	47%	0.468	11%	0.108	S	C	.	.	S	Bend	trans	-93.4	-28	-173.1	-64.3	-176	179.7	176.3	-3.3	113.5	S542 D544 I562	S542-R546 PolarHBondContact OG-N 2.94Å; D544-R546 VanDerWaalsContact C-N 3.29Å; D544-R546 PolarHBondContact O-N 2.88Å; D544-R546 WeakPolarHBondContact OD2-CD 3.46Å; R546-I562 PolarHBondContact O-N 2.91Å; R546-I562 VanDerWaalsContact O-N 3.13Å
547	M	96.5	Very high	96.6	Very high	22 Å²	22	21.2 Å²	21.2	11%	0.108	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.7	-171	-56.2	165.2	67.6	0	0	110.4	S542 I559 W560 M568 F583 L604	S542-M547 PolarHBondContact N-O 2.99Å; S542-M547 PolarHBondContact OG-N 3.43Å; S542-M547 PolarHBondContact OG-O 3.14Å; M547-I559 HydrophobicContact CB-CG2 4.34Å; M547-I559 HydrophobicContact CE-CG2 3.2Å; M547-W560 VanDerWaalsContact CA-O 3.25Å; M547-W560 WeakPolarHBondContact CA-O 3.44Å; M547-M568 HydrophobicContact CE-CE 4Å; M547-M568 HydrophobicContact CE-SD 3.94Å; M547-M568 HydrophobicContact CG-SD 3.96Å; M547-M568 HydrophobicContact SD-CE 4.4Å; M547-M568 HydrophobicContact SD-SD 4.41Å; M547-F583 HydrophobicContact CB-CE1 4.43Å; M547-F583 HydrophobicContact CB-CZ 4.19Å; M547-F583 HydrophobicContact CE-CE1 4.44Å; M547-L604 HydrophobicContact CE-CD1 3.95Å; M547-L604 HydrophobicContact CE-CD2 4.49Å
548	L	98.2	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.2	170.5	177.4	62.3	0	0	0	107.6	A507 V515 I517 F529 L539 G540 F541 I559 W560 I562	A507-L548 HydrophobicContact CB-CD1 4.12Å; A507-L548 HydrophobicContact CB-CD2 3.82Å; V515-L548 HydrophobicContact CG1-CD2 3.56Å; I517-L548 HydrophobicContact CD1-CD2 4.31Å; I517-L548 HydrophobicContact CG1-CD2 4.36Å; F529-L548 HydrophobicContact CD2-CD2 4.29Å; F529-L548 HydrophobicContact CE2-CD2 3.85Å; L539-L548 HydrophobicContact CD2-CD1 4.21Å; L539-L548 HydrophobicContact CD2-CG 4.4Å; G540-L548 WeakPolarHBondContact O-CD1 3.25Å; F541-L548 HydrophobicContact CD1-CB 4.31Å; F541-L548 HydrophobicContact CD1-CD1 3.92Å; F541-L548 HydrophobicContact CD2-CD1 4.16Å; F541-L548 HydrophobicContact CE1-CB 4.21Å; F541-L548 HydrophobicContact CE1-CD1 3.86Å; F541-L548 HydrophobicContact CE1-CD2 4.43Å; F541-L548 HydrophobicContact CE1-CG 4.4Å; F541-L548 HydrophobicContact CE2-CD1 4.1Å; F541-L548 HydrophobicContact CG-CD1 4.09Å; F541-L548 HydrophobicContact CZ-CD1 3.98Å; L548-I559 CarbonylContact O-C 3.53Å; L548-I559 WeakPolarHBondContact O-CA 3.08Å; L548-W560 HydrophobicContact CB-CB 4.42Å; L548-W560 PolarHBondContact N-O 3.45Å; L548-W560 VanDerWaalsContact O-CD1 3.25Å; L548-W560 PolarHBondContact O-N 2.83Å; L548-I562 HydrophobicContact CB-CD1 4.24Å; L548-I562 HydrophobicContact CB-CG1 4.08Å
549	A	98.3	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.4	168.7	0	0	0	0	0	110.3	L539 G540 M558 I559 V581 F583 I590	L539-A549 WeakPolarHBondContact CA-O 3.45Å; L539-A549 WeakPolarHBondContact CD2-O 3.46Å; G540-A549 PolarHBondContact N-O 2.91Å; G540-A549 VanDerWaalsContact N-O 3.08Å; G540-A549 PolarHBondContact O-N 3.28Å; A549-M558 CarbonylContact C-O 3.32Å; A549-M558 WeakPolarHBondContact CA-O 3.38Å; A549-I559 HydrophobicContact CB-CD1 3.7Å; A549-V581 HydrophobicContact CB-CB 4.47Å; A549-V581 HydrophobicContact CB-CG2 4.1Å; A549-F583 HydrophobicContact CB-CD2 4.41Å; A549-F583 HydrophobicContact CB-CE2 3.38Å; A549-F583 HydrophobicContact CB-CZ 3.71Å; A549-I590 HydrophobicContact CB-CD1 3.33Å
550	S	98.4	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	127.3	176.7	53.4	0	0	0	0	110.1	H532 S538 V557 M558 W560	H532-S550 PolarHBondContact CE1-OG 2.82Å; H532-S550 PolarHBondContact NE2-OG 2.84Å; S538-S550 CarbonylContact O-C 3.45Å; S538-S550 VanDerWaalsContact O-CA 3.32Å; S538-S550 WeakPolarHBondContact O-CA 3.48Å; S550-V557 WeakPolarHBondContact O-CA 3.45Å; S550-M558 PolarHBondContact N-O 3.04Å; S550-M558 PolarHBondContact O-N 3.26Å; S550-M558 PolarHBondContact OG-O 3.25Å; S550-W560 PolarHBondContact OG-NE1 3.38Å
551	G	98.2	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.3	173.6	0	0	0	0	0	111.3	Q537 S538 D556	Q537-G551 PolarHBondContact N-O 2.77Å; S538-G551 PolarHBondContact N-O 3.28Å; S538-G551 PolarHBondContact O-N 2.67Å; S538-G551 WeakPolarHBondContact OG-CA 3.49Å; G551-D556 WeakPolarHBondContact CA-O 3.37Å
552	A	97.8	Very high	95.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	164	-177.7	0	0	0	0	0	113	H532 G535 N554 G555 D556 V578	H532-A552 WeakPolarHBondContact ND1-CB 3.26Å; G535-A552 CarbonylContact O-C 3.47Å; G535-A552 WeakPolarHBondContact O-CA 3.48Å; A552-N554 VanDerWaalsContact CB-OD1 3.23Å; A552-N554 WeakPolarHBondContact CB-OD1 3.47Å; A552-N554 PolarHBondContact O-N 3.29Å; A552-G555 PolarHBondContact O-N 3.01Å; A552-G555 VanDerWaalsContact O-N 3.16Å; A552-D556 PolarHBondContact N-O 2.97Å; A552-V578 PolarHBondContact O-N 3.18Å; A552-V578 VanDerWaalsContact O-N 3.14Å
553	S	96.7	Very high	95.6	Very high	43 Å²	43	20.3 Å²	20.3	30%	0.301	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.9	179.8	56.6	0	0	0	0	114.7	A534 G535 T577	A534-S553 VanDerWaalsContact CB-OG 3.25Å; A534-S553 WeakPolarHBondContact CB-OG 3.39Å; G535-S553 PolarHBondContact N-OG 3.11Å; G535-S553 PolarHBondContact O-N 3.07Å; G535-S553 PolarHBondContact O-OG 2.86Å; S553-T577 WeakPolarHBondContact O-CA 3.32Å; S553-T577 PolarHBondContact O-N 3.18Å; S553-T577 PolarHBondContact O-OG1 3.06Å
554	N	94.6	Very high	95.4	Very high	57 Å²	57	22.8 Å²	22.8	31%	0.305	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.3	173.1	67.6	-19	0	0	0	114	A534 A552 D556	A534-N554 HydrophobicContact CB-CB 3.7Å; A552-N554 VanDerWaalsContact CB-OD1 3.23Å; A552-N554 WeakPolarHBondContact CB-OD1 3.47Å; A552-N554 PolarHBondContact O-N 3.29Å; N554-D556 PolarHBondContact ND2-OD2 3.1Å; N554-D556 PolarHBondContact OD1-N 2.82Å
555	G	96.2	Very high	95.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	97.3	-1.7	178.8	0	0	0	0	0	115.9	A552 H574 A576	A552-G555 PolarHBondContact O-N 3.01Å; A552-G555 VanDerWaalsContact O-N 3.16Å; G555-H574 WeakPolarHBondContact CA-O 3.5Å; G555-H574 PolarHBondContact O-N 3.44Å; G555-A576 WeakPolarHBondContact CA-O 3.47Å; G555-A576 PolarHBondContact N-O 2.97Å
556	D	95.6	Very high	95	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.3	178	-65.1	-19.1	0	0	0	111.3	G551 A552 N554 F571 N572	G551-D556 WeakPolarHBondContact CA-O 3.37Å; A552-D556 PolarHBondContact N-O 2.97Å; N554-D556 PolarHBondContact ND2-OD2 3.1Å; N554-D556 PolarHBondContact OD1-N 2.82Å; D556-F571 CarbonylContact C-O 3.58Å; D556-F571 WeakPolarHBondContact CA-O 3.19Å; D556-N572 PolarHBondContact OD1-ND2 2.78Å
557	V	97	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.2	171.2	178.9	0	0	0	0	108.6	S550 F571 S573 V578 V581 I590	S550-V557 WeakPolarHBondContact O-CA 3.45Å; V557-F571 HydrophobicContact CB-CB 4.37Å; V557-F571 HydrophobicContact CB-CD2 4.48Å; V557-F571 HydrophobicContact CG1-CD2 4.4Å; V557-F571 PolarHBondContact N-O 3.31Å; V557-F571 PolarHBondContact O-N 3.3Å; V557-S573 VanDerWaalsContact CG2-OG 3.27Å; V557-S573 WeakPolarHBondContact CG2-OG 3.14Å; V557-V578 HydrophobicContact CG2-CB 4.47Å; V557-V578 HydrophobicContact CG2-CG1 3.95Å; V557-V578 HydrophobicContact CG2-CG2 3.87Å; V557-V581 HydrophobicContact CG1-CG1 4.3Å; V557-V581 HydrophobicContact CG2-CG1 4.35Å; V557-I590 HydrophobicContact CG1-CD1 3.95Å
558	M	96.3	Very high	94.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.7	178.1	-65.4	177.9	176.4	0	0	111.1	H532 A549 S550 W560 M567 H569 N570	H532-M558 PolarHBondContact CE1-SD 3.35Å; A549-M558 CarbonylContact C-O 3.32Å; A549-M558 WeakPolarHBondContact CA-O 3.38Å; S550-M558 PolarHBondContact N-O 3.04Å; S550-M558 PolarHBondContact O-N 3.26Å; S550-M558 PolarHBondContact OG-O 3.25Å; M558-W560 HydrophobicContact CB-CZ2 3.71Å; M558-W560 HydrophobicContact CG-CZ2 4.27Å; M558-W560 HydrophobicContact SD-CH2 3.9Å; M558-W560 HydrophobicContact SD-CZ2 3.57Å; M558-W560 VanDerWaalsContact SD-CZ2 3.57Å; M558-M567 HydrophobicContact CE-CE 3.86Å; M558-M567 HydrophobicContact CG-CE 4.24Å; M558-M567 HydrophobicContact CG-SD 4.43Å; M558-M567 HydrophobicContact SD-CE 3.34Å; M558-M567 WeakPolarHBondContact SD-CE 3.36Å; M558-M567 HydrophobicContact SD-SD 4.22Å; M558-H569 WeakPolarHBondContact CA-O 3.48Å; M558-N570 HydrophobicContact CE-CB 4.48Å; M558-N570 HydrophobicContact CG-CB 4.23Å; M558-N570 WeakPolarHBondContact CG-OD1 3.22Å
559	I	97.2	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.8	176.8	-53.3	-59.3	0	0	0	108.8	M547 L548 A549 M568 H569 F571 F583 I590	M547-I559 HydrophobicContact CB-CG2 4.34Å; M547-I559 HydrophobicContact CE-CG2 3.2Å; L548-I559 CarbonylContact O-C 3.53Å; L548-I559 WeakPolarHBondContact O-CA 3.08Å; A549-I559 HydrophobicContact CB-CD1 3.7Å; I559-M568 HydrophobicContact CB-CB 4.4Å; I559-M568 HydrophobicContact CG2-CB 4.2Å; I559-M568 HydrophobicContact CG2-SD 4.35Å; I559-M568 PolarHBondContact O-N 3.06Å; I559-H569 HydrophobicContact CB-CB 4.12Å; I559-H569 HydrophobicContact CG1-CB 4.07Å; I559-H569 PolarHBondContact N-O 3.37Å; I559-H569 PolarHBondContact O-N 2.8Å; I559-F571 HydrophobicContact CD1-CE2 4.38Å; I559-F571 HydrophobicContact CG1-CD2 4.38Å; I559-F571 HydrophobicContact CG1-CE2 3.74Å; I559-F583 HydrophobicContact CD1-CZ 4.14Å; I559-I590 HydrophobicContact CD1-CD1 3.42Å; I559-I590 VanDerWaalsContact CD1-CD1 3.42Å; I559-I590 HydrophobicContact CD1-CG2 4.48Å
560	W	95.7	Very high	94	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.019	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.6	-175.4	-49	94.6	0	0	0	111.4	F529 H532 M547 L548 S550 M558 Q566 M567	F529-W560 HydrophobicContact CB-CD2 3.8Å; F529-W560 HydrophobicContact CB-CE3 3.77Å; F529-W560 HydrophobicContact CB-CG 4.44Å; F529-W560 HydrophobicContact CB-CH2 4Å; F529-W560 HydrophobicContact CB-CZ2 4.05Å; F529-W560 HydrophobicContact CB-CZ3 3.86Å; F529-W560 HydrophobicContact CD1-CB 3.97Å; F529-W560 AromaticContact CD1-CD2 3.76Å; F529-W560 HydrophobicContact CD1-CD2 3.76Å; F529-W560 AromaticContact CD1-CE3 3.48Å; F529-W560 HydrophobicContact CD1-CE3 3.48Å; F529-W560 VanDerWaalsContact CD1-CE3 3.48Å; F529-W560 AromaticContact CD1-CG 3.98Å; F529-W560 HydrophobicContact CD1-CG 3.98Å; F529-W560 HydrophobicContact CD1-CZ3 4.2Å; F529-W560 HydrophobicContact CD2-CG 4.35Å; F529-W560 HydrophobicContact CE1-CB 3.71Å; F529-W560 HydrophobicContact CE1-CD2 4.43Å; F529-W560 HydrophobicContact CE1-CE3 4.28Å; F529-W560 HydrophobicContact CE1-CG 4.22Å; F529-W560 HydrophobicContact CE2-CB 4.36Å; F529-W560 HydrophobicContact CG-CB 4.38Å; F529-W560 AromaticContact CG-CD2 3.81Å; F529-W560 HydrophobicContact CG-CD2 3.81Å; F529-W560 AromaticContact CG-CE3 3.87Å; F529-W560 HydrophobicContact CG-CE3 3.87Å; F529-W560 HydrophobicContact CG-CG 4.03Å; F529-W560 HydrophobicContact CG-CZ3 4.43Å; F529-W560 HydrophobicContact CZ-CB 3.94Å; H532-W560 AromaticContact CD2-CZ2 3.73Å; H532-W560 AromaticContact NE2-CZ2 3.74Å; M547-W560 VanDerWaalsContact CA-O 3.25Å; M547-W560 WeakPolarHBondContact CA-O 3.44Å; L548-W560 HydrophobicContact CB-CB 4.42Å; L548-W560 PolarHBondContact N-O 3.45Å; L548-W560 VanDerWaalsContact O-CD1 3.25Å; L548-W560 PolarHBondContact O-N 2.83Å; S550-W560 PolarHBondContact OG-NE1 3.38Å; M558-W560 HydrophobicContact CB-CZ2 3.71Å; M558-W560 HydrophobicContact CG-CZ2 4.27Å; M558-W560 HydrophobicContact SD-CH2 3.9Å; M558-W560 HydrophobicContact SD-CZ2 3.57Å; M558-W560 VanDerWaalsContact SD-CZ2 3.57Å; W560-Q566 CarbonylContact C-O 3.53Å; W560-Q566 WeakPolarHBondContact CA-O 3.26Å; W560-M567 HydrophobicContact CE3-CB 3.76Å; W560-M567 HydrophobicContact CE3-CG 4.23Å; W560-M567 HydrophobicContact CH2-CB 4.33Å; W560-M567 HydrophobicContact CH2-CE 3.35Å; W560-M567 HydrophobicContact CH2-CG 4.37Å; W560-M567 HydrophobicContact CZ2-CE 4.12Å; W560-M567 HydrophobicContact CZ3-CB 3.56Å; W560-M567 HydrophobicContact CZ3-CE 3.71Å; W560-M567 HydrophobicContact CZ3-CG 4.03Å
561	D	93.7	Very high	93.8	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.16	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117	165.3	-175.2	-41.2	0	0	0	108.9	A563 Q564 G565 Q566 M568	D561-A563 WeakPolarHBondContact OD1-CA 3.28Å; D561-A563 WeakPolarHBondContact OD1-CB 3.49Å; D561-A563 PolarHBondContact OD1-N 2.95Å; D561-Q564 HydrophobicContact CB-CB 4.21Å; D561-Q564 PolarHBondContact OD1-N 3.39Å; D561-G565 WeakPolarHBondContact O-CA 3.32Å; D561-G565 PolarHBondContact O-N 2.53Å; D561-Q566 PolarHBondContact N-O 3Å; D561-Q566 PolarHBondContact O-N 2.8Å; D561-M568 HydrophobicContact CB-CG 3.89Å; D561-M568 HydrophobicContact CB-SD 3.85Å
562	I	93.6	Very high	93.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-40.2	-177.5	-66	163.2	0	0	0	111.4	V231 I517 R527 F541 G545 R546 L548	V231-I562 HydrophobicContact CG1-CG2 3.74Å; I517-I562 HydrophobicContact CD1-CB 4.36Å; I517-I562 HydrophobicContact CD1-CG1 4.02Å; I517-I562 HydrophobicContact CD1-CG2 3.79Å; R527-I562 PolarHBondContact NE-O 2.89Å; F541-I562 HydrophobicContact CD1-CD1 3.56Å; F541-I562 HydrophobicContact CE1-CD1 3.46Å; F541-I562 VanDerWaalsContact CE1-CD1 3.46Å; F541-I562 HydrophobicContact CE1-CG1 4.3Å; G545-I562 WeakPolarHBondContact O-CD1 3.32Å; R546-I562 PolarHBondContact O-N 2.91Å; R546-I562 VanDerWaalsContact O-N 3.13Å; L548-I562 HydrophobicContact CB-CD1 4.24Å; L548-I562 HydrophobicContact CB-CG1 4.08Å
563	A	90.7	Very high	92.9	Very high	41 Å²	41	31.7 Å²	31.7	34%	0.339	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-41.1	-176.7	0	0	0	0	0	110.9	R527 D561	R527-A563 PolarHBondContact NH2-O 3.14Å; D561-A563 WeakPolarHBondContact OD1-CA 3.28Å; D561-A563 WeakPolarHBondContact OD1-CB 3.49Å; D561-A563 PolarHBondContact OD1-N 2.95Å
564	Q	88.5	Confident	92.9	Very high	92 Å²	92	30.1 Å²	30.1	43%	0.43	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-21.2	-177.2	-59.9	-172.9	-1.2	0	0	113.9	D561 Q566	D561-Q564 HydrophobicContact CB-CB 4.21Å; D561-Q564 PolarHBondContact OD1-N 3.39Å; Q564-Q566 HydrophobicContact CB-CB 4.4Å; Q564-Q566 HydrophobicContact CB-CG 4.12Å
565	G	89.2	Confident	92.9	Very high	8 Å²	8	33.7 Å²	33.7	8%	0.082	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	30.7	-175.7	0	0	0	0	0	112.9	N227 D561	N227-G565 PolarHBondContact ND2-O 3.2Å; N227-G565 VanDerWaalsContact ND2-O 3.08Å; D561-G565 WeakPolarHBondContact O-CA 3.32Å; D561-G565 PolarHBondContact O-N 2.53Å
566	Q	88.4	Confident	92.9	Very high	78 Å²	78	35.1 Å²	35.1	36%	0.364	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.9	-172.1	-64.2	-174.2	7.9	0	0	112.1	W560 D561 Q564	W560-Q566 CarbonylContact C-O 3.53Å; W560-Q566 WeakPolarHBondContact CA-O 3.26Å; D561-Q566 PolarHBondContact N-O 3Å; D561-Q566 PolarHBondContact O-N 2.8Å; Q564-Q566 HydrophobicContact CB-CB 4.4Å; Q564-Q566 HydrophobicContact CB-CG 4.12Å
567	M	91.8	Very high	93	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.5	171	-168.2	-174.4	-65.3	0	0	109.9	N213 M558 W560 N570	N213-M567 HydrophobicContact CB-CE 4.38Å; N213-M567 HydrophobicContact CB-SD 4.24Å; N213-M567 WeakPolarHBondContact O-CE 3.31Å; M558-M567 HydrophobicContact CE-CE 3.86Å; M558-M567 HydrophobicContact CG-CE 4.24Å; M558-M567 HydrophobicContact CG-SD 4.43Å; M558-M567 HydrophobicContact SD-CE 3.34Å; M558-M567 WeakPolarHBondContact SD-CE 3.36Å; M558-M567 HydrophobicContact SD-SD 4.22Å; W560-M567 HydrophobicContact CE3-CB 3.76Å; W560-M567 HydrophobicContact CE3-CG 4.23Å; W560-M567 HydrophobicContact CH2-CB 4.33Å; W560-M567 HydrophobicContact CH2-CE 3.35Å; W560-M567 HydrophobicContact CH2-CG 4.37Å; W560-M567 HydrophobicContact CZ2-CE 4.12Å; W560-M567 HydrophobicContact CZ3-CB 3.56Å; W560-M567 HydrophobicContact CZ3-CE 3.71Å; W560-M567 HydrophobicContact CZ3-CG 4.03Å; M567-N570 HydrophobicContact SD-CB 3.96Å
568	M	91.4	Very high	93.1	Very high	31 Å²	31	36.1 Å²	36.1	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-44.3	176.2	-63.6	-177	65.2	0	0	112.2	M547 I559 D561 P621	M547-M568 HydrophobicContact CE-CE 4Å; M547-M568 HydrophobicContact CE-SD 3.94Å; M547-M568 HydrophobicContact CG-SD 3.96Å; M547-M568 HydrophobicContact SD-CE 4.4Å; M547-M568 HydrophobicContact SD-SD 4.41Å; I559-M568 HydrophobicContact CB-CB 4.4Å; I559-M568 HydrophobicContact CG2-CB 4.2Å; I559-M568 HydrophobicContact CG2-SD 4.35Å; I559-M568 PolarHBondContact O-N 3.06Å; D561-M568 HydrophobicContact CB-CG 3.89Å; D561-M568 HydrophobicContact CB-SD 3.85Å; M568-P621 WeakPolarHBondContact O-CB 3.34Å
569	H	91.5	Very high	93.1	Very high	20 Å²	20	37.7 Å²	37.7	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.8	-177.2	-59.1	-69.6	0	0	0	110.1	M558 I559 F571	M558-H569 WeakPolarHBondContact CA-O 3.48Å; I559-H569 HydrophobicContact CB-CB 4.12Å; I559-H569 HydrophobicContact CG1-CB 4.07Å; I559-H569 PolarHBondContact N-O 3.37Å; I559-H569 PolarHBondContact O-N 2.8Å; H569-F571 HydrophobicContact CB-CE1 4.18Å; H569-F571 HydrophobicContact CB-CE2 3.87Å; H569-F571 HydrophobicContact CB-CZ 3.63Å
570	N	92.3	Very high	93.2	Very high	48 Å²	48	37.9 Å²	37.9	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.6	169.8	-178.2	19	0	0	0	108.1	M558 M567	M558-N570 HydrophobicContact CE-CB 4.48Å; M558-N570 HydrophobicContact CG-CB 4.23Å; M558-N570 WeakPolarHBondContact CG-OD1 3.22Å; M567-N570 HydrophobicContact SD-CB 3.96Å
571	F	92.8	Very high	93.3	Very high	26 Å²	26	38 Å²	38	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.2	179.9	-53	-65.9	0	0	0	109.8	D556 V557 I559 H569 S573 I590 H602 L604 L627	D556-F571 CarbonylContact C-O 3.58Å; D556-F571 WeakPolarHBondContact CA-O 3.19Å; V557-F571 HydrophobicContact CB-CB 4.37Å; V557-F571 HydrophobicContact CB-CD2 4.48Å; V557-F571 HydrophobicContact CG1-CD2 4.4Å; V557-F571 PolarHBondContact N-O 3.31Å; V557-F571 PolarHBondContact O-N 3.3Å; I559-F571 HydrophobicContact CD1-CE2 4.38Å; I559-F571 HydrophobicContact CG1-CD2 4.38Å; I559-F571 HydrophobicContact CG1-CE2 3.74Å; H569-F571 HydrophobicContact CB-CE1 4.18Å; H569-F571 HydrophobicContact CB-CE2 3.87Å; H569-F571 HydrophobicContact CB-CZ 3.63Å; F571-S573 PolarHBondContact O-N 2.87Å; F571-I590 HydrophobicContact CE2-CG2 4.45Å; F571-H602 AromaticContact CD1-CD2 3.55Å; F571-H602 AromaticContact CD1-NE2 3.88Å; F571-H602 HydrophobicContact CE1-CB 4.46Å; F571-H602 AromaticContact CE1-CD2 3.84Å; F571-H602 HydrophobicContact CE2-CB 4.25Å; F571-H602 AromaticContact CG-CD2 3.74Å; F571-H602 AromaticContact CG-NE2 3.73Å; F571-H602 HydrophobicContact CZ-CB 4.12Å; F571-L604 HydrophobicContact CE2-CD2 4.42Å; F571-L604 HydrophobicContact CZ-CD2 4.31Å; F571-L627 HydrophobicContact CE1-CB 4.43Å; F571-L627 HydrophobicContact CE1-CD1 3.88Å; F571-L627 HydrophobicContact CZ-CD1 3.63Å
572	N	91.6	Very high	93.5	Very high	123 Å²	123	37.9 Å²	37.9	66%	0.658	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	63.2	167.6	-58.3	84.6	0	0	0	109.6	D556	D556-N572 PolarHBondContact OD1-ND2 2.78Å
573	S	86.1	Confident	93.6	Very high	23 Å²	23	37.8 Å²	37.8	16%	0.161	22%	0.216	C	C	.	.			trans	-80.6	-26.2	-167.8	49.1	0	0	0	0	114.6	V557 F571 H602	V557-S573 VanDerWaalsContact CG2-OG 3.27Å; V557-S573 WeakPolarHBondContact CG2-OG 3.14Å; F571-S573 PolarHBondContact O-N 2.87Å; S573-H602 VanDerWaalsContact CB-CE1 3.47Å; S573-H602 WeakPolarHBondContact CB-CE1 3.5Å
574	H	96	Very high	93.7	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.046	20%	0.2	C	C	.	.			trans	-124.7	154.3	-174.7	-68.2	-82.9	0	0	0	111.1	G555 A576 V578 S592 G594 D596 Q598	G555-H574 WeakPolarHBondContact CA-O 3.5Å; G555-H574 PolarHBondContact O-N 3.44Å; H574-A576 WeakPolarHBondContact CB-O 3.36Å; H574-V578 HydrophobicContact CB-CG2 4.16Å; H574-S592 VanDerWaalsContact NE2-CB 3.35Å; H574-S592 WeakPolarHBondContact NE2-CB 3.28Å; H574-S592 PolarHBondContact NE2-OG 2.96Å; H574-G594 PolarHBondContact CE1-N 3.35Å; H574-D596 WeakPolarHBondContact CA-OD2 3.46Å; H574-D596 VanDerWaalsContact CB-OD2 3.25Å; H574-D596 WeakPolarHBondContact CB-OD2 3.45Å; H574-D596 IonicContact CE1-OD1 2.64Å; H574-D596 IonicContact CG-OD1 2.89Å; H574-D596 IonicContact CG-OD2 2.88Å; H574-D596 IonicContact ND1-OD1 3.99Å; H574-D596 PolarHBondContact ND1-OD1 2.79Å; H574-D596 IonicContact ND1-OD2 2.95Å; H574-D596 PolarHBondContact ND1-OD2 2.75Å; H574-D596 VanDerWaalsContact ND1-OD2 3.14Å; H574-Q598 PolarHBondContact CE1-O 2.89Å
575	T	95.8	Very high	93.8	Very high	132 Å²	132	33.7 Å²	33.7	81%	0.81	19%	0.188	S	C	*	.	S	Bend	trans	-97.4	1.3	173.9	58.4	0	0	0	0	113.3	D596	T575-D596 PolarHBondContact N-OD2 2.86Å; T575-D596 WeakPolarHBondContact OG1-CB 3.4Å
576	A	96.5	Very high	93.7	Very high	31 Å²	31	36.8 Å²	36.8	26%	0.256	20%	0.203	S	C	.	.	S	Bend	trans	-146.5	-178.4	178	0	0	0	0	0	109.9	G555 H574 V578 L595 D596	G555-A576 WeakPolarHBondContact CA-O 3.47Å; G555-A576 PolarHBondContact N-O 2.97Å; H574-A576 WeakPolarHBondContact CB-O 3.36Å; A576-V578 PolarHBondContact O-N 2.74Å; A576-L595 HydrophobicContact CB-CB 4.04Å; A576-D596 HydrophobicContact CB-CB 3.95Å
577	T	97.4	Very high	93.8	Very high	31 Å²	31	33.9 Å²	33.9	19%	0.19	19%	0.191	C	C	.	.			trans	-48.7	129.9	-178.5	-58.1	0	0	0	0	113.5	Q537 S553 C579 G594 L595	Q537-T577 HydrophobicContact CB-CG2 3.89Å; Q537-T577 HydrophobicContact CG-CG2 3.74Å; S553-T577 WeakPolarHBondContact O-CA 3.32Å; S553-T577 PolarHBondContact O-N 3.18Å; S553-T577 PolarHBondContact O-OG1 3.06Å; T577-C579 PolarHBondContact O-N 2.89Å; T577-G594 VanDerWaalsContact O-CA 3.27Å; T577-G594 WeakPolarHBondContact O-CA 3.4Å; T577-L595 HydrophobicContact CG2-CD1 4.49Å; T577-L595 PolarHBondContact O-N 3.38Å
578	V	98.4	Very high	93.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	101.5	170.8	-171.3	0	0	0	0	109.6	S538 A552 V557 H574 A576 V581 G593	S538-V578 PolarHBondContact OG-O 2.84Å; A552-V578 PolarHBondContact O-N 3.18Å; A552-V578 VanDerWaalsContact O-N 3.14Å; V557-V578 HydrophobicContact CG2-CB 4.47Å; V557-V578 HydrophobicContact CG2-CG1 3.95Å; V557-V578 HydrophobicContact CG2-CG2 3.87Å; H574-V578 HydrophobicContact CB-CG2 4.16Å; A576-V578 PolarHBondContact O-N 2.74Å; V578-V581 HydrophobicContact CG1-CG1 3.69Å; V578-G593 CarbonylContact C-O 3.56Å
579	C	97.7	Very high	93.7	Very high	34 Å²	34	35.1 Å²	35.1	23%	0.23	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-31.2	-176.5	-64.3	0	0	0	0	113.3	T577 G593 L595 V639 Q640	T577-C579 PolarHBondContact O-N 2.89Å; C579-G593 PolarHBondContact N-O 3.08Å; C579-L595 WeakPolarHBondContact SG-CD2 3.35Å; C579-L595 VanDerWaalsContact SG-CG 3.52Å; C579-V639 WeakPolarHBondContact CB-O 3.49Å; C579-Q640 WeakPolarHBondContact CB-O 3.44Å
580	S	98.1	Very high	93.8	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	143	-173.9	-171.4	0	0	0	0	111.1	S592 G593 Q640 Q641 V642	S580-S592 CarbonylContact O-C 3.57Å; S580-S592 WeakPolarHBondContact O-CA 3.24Å; S580-G593 PolarHBondContact N-O 2.56Å; S580-G593 PolarHBondContact O-N 2.77Å; S580-Q640 WeakPolarHBondContact CB-O 3.44Å; S580-Q641 PolarHBondContact OG-OE1 2.99Å; S580-V642 PolarHBondContact OG-N 3.26Å; S580-V642 VanDerWaalsContact OG-N 3.08Å
581	V	98.1	Very high	94	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.6	174.2	-64.9	0	0	0	0	108.8	A549 V557 V578 I590 A591	A549-V581 HydrophobicContact CB-CB 4.47Å; A549-V581 HydrophobicContact CB-CG2 4.1Å; V557-V581 HydrophobicContact CG1-CG1 4.3Å; V557-V581 HydrophobicContact CG2-CG1 4.35Å; V578-V581 HydrophobicContact CG1-CG1 3.69Å; V581-I590 HydrophobicContact CB-CD1 4.47Å; V581-A591 WeakPolarHBondContact CA-O 3.38Å
582	D	97.5	Very high	94.2	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.144	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.1	175.8	-168.5	24.8	0	0	0	111.9	I590 A591 V642 H643 F644	D582-I590 WeakPolarHBondContact O-CA 3.33Å; D582-A591 PolarHBondContact N-O 2.84Å; D582-A591 PolarHBondContact O-N 2.87Å; D582-V642 HydrophobicContact CB-CG2 4.01Å; D582-H643 WeakPolarHBondContact OD2-CA 3.38Å; D582-F644 HydrophobicContact CB-CD2 4.25Å; D582-F644 WeakPolarHBondContact O-CE2 3.33Å; D582-F644 PolarHBondContact OD2-N 2.82Å
583	F	95.6	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.6	178.5	-77.7	-93.5	0	0	0	110.9	G540 P543 M547 A549 I559 I590 L604 F644	G540-F583 VanDerWaalsContact O-CE2 3.29Å; G540-F583 WeakPolarHBondContact O-CE2 3.43Å; P543-F583 HydrophobicContact CG-CB 4.45Å; M547-F583 HydrophobicContact CB-CE1 4.43Å; M547-F583 HydrophobicContact CB-CZ 4.19Å; M547-F583 HydrophobicContact CE-CE1 4.44Å; A549-F583 HydrophobicContact CB-CD2 4.41Å; A549-F583 HydrophobicContact CB-CE2 3.38Å; A549-F583 HydrophobicContact CB-CZ 3.71Å; I559-F583 HydrophobicContact CD1-CZ 4.14Å; F583-I590 HydrophobicContact CD1-CB 4.35Å; F583-I590 HydrophobicContact CE1-CB 4.36Å; F583-I590 HydrophobicContact CE2-CD1 4.38Å; F583-I590 HydrophobicContact CZ-CD1 4.25Å; F583-L604 HydrophobicContact CD1-CD1 3.92Å; F583-L604 HydrophobicContact CE1-CD1 3.53Å; F583-F644 WeakPolarHBondContact O-CD2 3.37Å
584	S	92.9	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.			trans	-54.5	150	163.1	56.4	0	0	0	0	111.4	D586 S587 S588 Y589 F644	S584-D586 VanDerWaalsContact CB-OD1 3.3Å; S584-D586 WeakPolarHBondContact CB-OD1 3.32Å; S584-D586 PolarHBondContact O-N 3.16Å; S584-D586 PolarHBondContact OG-OD1 3.44Å; S584-D586 VanDerWaalsContact OG-OD1 3.07Å; S584-S587 WeakPolarHBondContact O-CA 3.43Å; S584-S587 PolarHBondContact O-N 2.96Å; S584-S588 PolarHBondContact OG-N 3.37Å; S584-S588 VanDerWaalsContact OG-N 3.12Å; S584-Y589 PolarHBondContact N-O 2.79Å; S584-Y589 WeakPolarHBondContact OG-CA 3.43Å; S584-Y589 PolarHBondContact OG-N 2.82Å; S584-Y589 PolarHBondContact OG-O 2.84Å; S584-F644 VanDerWaalsContact N-CD2 3.25Å
585	R	90.6	Very high	95	Very high	47 Å²	47	27 Å²	27	18%	0.177	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.2	-174.8	-56.8	-56.4	-176.4	150.4	1.2	114.7	R314 E344 H643 F644 T645 N648	R314-R585 PolarHBondContact NH1-O 3.16Å; E344-R585 VanDerWaalsContact CD-NH1 3.25Å; E344-R585 IonicContact OE1-CZ 3.82Å; E344-R585 IonicContact OE1-NH1 2.82Å; E344-R585 PolarHBondContact OE1-NH1 2.79Å; E344-R585 IonicContact OE1-NH2 2.68Å; E344-R585 IonicContact OE2-CZ 3.2Å; E344-R585 VanDerWaalsContact OE2-CZ 3.31Å; E344-R585 IonicContact OE2-NH1 3.73Å; E344-R585 PolarHBondContact OE2-NH1 2.6Å; E344-R585 IonicContact OE2-NH2 2.72Å; E344-R585 PolarHBondContact OE2-NH2 3.13Å; R585-H643 PolarHBondContact NH2-CE1 3.22Å; R585-F644 PolarHBondContact NE-O 3.12Å; R585-F644 PolarHBondContact NH2-O 3.37Å; R585-T645 WeakPolarHBondContact CG-O 3.2Å; R585-N648 VanDerWaalsContact CB-OD1 3.31Å; R585-N648 WeakPolarHBondContact CB-OD1 3.13Å; R585-N648 PolarHBondContact N-OD1 3.35Å
586	D	87.4	Confident	95	Very high	73 Å²	73	21.8 Å²	21.8	39%	0.39	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	11.5	171.7	51.5	-2.8	0	0	0	112	S584 S588 N648	S584-D586 VanDerWaalsContact CB-OD1 3.3Å; S584-D586 WeakPolarHBondContact CB-OD1 3.32Å; S584-D586 PolarHBondContact O-N 3.16Å; S584-D586 PolarHBondContact OG-OD1 3.44Å; S584-D586 VanDerWaalsContact OG-OD1 3.07Å; D586-S588 PolarHBondContact O-N 2.98Å; D586-S588 PolarHBondContact O-OG 2.97Å; D586-N648 VanDerWaalsContact CG-ND2 3.29Å; D586-N648 PolarHBondContact OD1-ND2 3.16Å; D586-N648 PolarHBondContact OD2-ND2 3.23Å
587	S	91.1	Very high	95	Very high	16 Å²	16	22.2 Å²	22.2	11%	0.112	12%	0.117	C	C	.	.	S	Bend	trans	53.9	21.8	-179.1	-56.1	0	0	0	0	113.9	D544 S584	D544-S587 VanDerWaalsContact CG-OG 3.25Å; D544-S587 PolarHBondContact N-OG 2.77Å; D544-S587 PolarHBondContact OD1-OG 3.16Å; S584-S587 WeakPolarHBondContact O-CA 3.43Å; S584-S587 PolarHBondContact O-N 2.96Å
588	S	88.3	Confident	94.8	Very high	27 Å²	27	22.6 Å²	22.6	19%	0.189	12%	0.117	C	C	.	.	S	Bend	trans	-93.9	-20.8	-172.5	-68.4	0	0	0	0	113.5	S584 D586 L604	S584-S588 PolarHBondContact OG-N 3.37Å; S584-S588 VanDerWaalsContact OG-N 3.12Å; D586-S588 PolarHBondContact O-N 2.98Å; D586-S588 PolarHBondContact O-OG 2.97Å; S588-L604 PolarHBondContact O-N 3.27Å
589	Y	91.6	Very high	94.7	Very high	58 Å²	58	22.8 Å²	22.8	23%	0.227	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.4	178.3	-57.8	-87.6	0	0	0	110.5	S584 V601 H602	S584-Y589 PolarHBondContact N-O 2.79Å; S584-Y589 WeakPolarHBondContact OG-CA 3.43Å; S584-Y589 PolarHBondContact OG-N 2.82Å; S584-Y589 PolarHBondContact OG-O 2.84Å; Y589-V601 HydrophobicContact CD1-CG1 4.18Å; Y589-H602 VanDerWaalsContact CA-O 3.24Å; Y589-H602 WeakPolarHBondContact CA-O 3.17Å
590	I	94.8	Very high	94.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.9	165.4	-178	173.2	0	0	0	109.3	A549 V557 I559 F571 V581 D582 F583 V601 H602 L604	A549-I590 HydrophobicContact CB-CD1 3.33Å; V557-I590 HydrophobicContact CG1-CD1 3.95Å; I559-I590 HydrophobicContact CD1-CD1 3.42Å; I559-I590 VanDerWaalsContact CD1-CD1 3.42Å; I559-I590 HydrophobicContact CD1-CG2 4.48Å; F571-I590 HydrophobicContact CE2-CG2 4.45Å; V581-I590 HydrophobicContact CB-CD1 4.47Å; D582-I590 WeakPolarHBondContact O-CA 3.33Å; F583-I590 HydrophobicContact CD1-CB 4.35Å; F583-I590 HydrophobicContact CE1-CB 4.36Å; F583-I590 HydrophobicContact CE2-CD1 4.38Å; F583-I590 HydrophobicContact CZ-CD1 4.25Å; I590-V601 CarbonylContact O-C 3.6Å; I590-V601 VanDerWaalsContact O-CA 3.3Å; I590-V601 WeakPolarHBondContact O-CA 3.43Å; I590-H602 HydrophobicContact CG2-CB 3.76Å; I590-H602 PolarHBondContact N-O 2.95Å; I590-H602 PolarHBondContact O-N 3.04Å; I590-L604 HydrophobicContact CB-CD1 4.37Å; I590-L604 HydrophobicContact CG2-CD1 4.39Å; I590-L604 HydrophobicContact CG2-CD2 4.14Å; I590-L604 HydrophobicContact CG2-CG 4.34Å
591	A	95.9	Very high	94.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.8	169.5	0	0	0	0	0	110.1	V581 D582 V600 V601 V642 F644 L650	V581-A591 WeakPolarHBondContact CA-O 3.38Å; D582-A591 PolarHBondContact N-O 2.84Å; D582-A591 PolarHBondContact O-N 2.87Å; A591-V600 CarbonylContact C-O 3.59Å; A591-V600 VanDerWaalsContact CA-O 3.28Å; A591-V600 WeakPolarHBondContact CA-O 3.3Å; A591-V601 HydrophobicContact CB-CG2 4.13Å; A591-V642 HydrophobicContact CB-CG2 4.49Å; A591-F644 HydrophobicContact CB-CD2 4.48Å; A591-F644 HydrophobicContact CB-CE2 3.49Å; A591-F644 VanDerWaalsContact CB-CE2 3.49Å; A591-F644 HydrophobicContact CB-CZ 3.8Å; A591-L650 HydrophobicContact CB-CD1 3.73Å; A591-L650 HydrophobicContact CB-CD2 3.66Å; A591-L650 HydrophobicContact CB-CG 4.38Å
592	S	97.9	Very high	94.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.5	173.3	57	0	0	0	0	110.7	H574 S580 V599 V600	H574-S592 VanDerWaalsContact NE2-CB 3.35Å; H574-S592 WeakPolarHBondContact NE2-CB 3.28Å; H574-S592 PolarHBondContact NE2-OG 2.96Å; S580-S592 CarbonylContact O-C 3.57Å; S580-S592 WeakPolarHBondContact O-CA 3.24Å; S592-V599 CarbonylContact O-C 3.6Å; S592-V599 WeakPolarHBondContact O-CA 3.47Å; S592-V600 PolarHBondContact N-O 2.93Å; S592-V600 PolarHBondContact O-N 3.31Å; S592-V600 PolarHBondContact OG-O 3.08Å
593	G	97.3	Very high	93.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.8	174.3	0	0	0	0	0	110.5	V578 C579 S580 V639	V578-G593 CarbonylContact C-O 3.56Å; C579-G593 PolarHBondContact N-O 3.08Å; S580-G593 PolarHBondContact N-O 2.56Å; S580-G593 PolarHBondContact O-N 2.77Å; G593-V639 CarbonylContact C-O 3.59Å
594	G	96.7	Very high	93.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	164.2	-176.7	0	0	0	0	0	115	H574 T577 D596 E597 Q598 V639	H574-G594 PolarHBondContact CE1-N 3.35Å; T577-G594 VanDerWaalsContact O-CA 3.27Å; T577-G594 WeakPolarHBondContact O-CA 3.4Å; G594-D596 WeakPolarHBondContact CA-OD1 3.32Å; G594-D596 PolarHBondContact O-N 3.32Å; G594-E597 PolarHBondContact O-N 3.07Å; G594-Q598 PolarHBondContact N-O 2.97Å; G594-V639 PolarHBondContact N-O 3.34Å; G594-V639 PolarHBondContact O-N 3.21Å
595	L	96.1	Very high	92.5	Very high	80 Å²	80	26 Å²	26	42%	0.419	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.4	169.5	-65.5	-175.7	0	0	0	113.2	A576 T577 C579 E597 P638	A576-L595 HydrophobicContact CB-CB 4.04Å; T577-L595 HydrophobicContact CG2-CD1 4.49Å; T577-L595 PolarHBondContact O-N 3.38Å; C579-L595 WeakPolarHBondContact SG-CD2 3.35Å; C579-L595 VanDerWaalsContact SG-CG 3.52Å; L595-E597 PolarHBondContact O-N 3.38Å; L595-P638 HydrophobicContact CD2-CB 3.94Å
596	D	95.6	Very high	90.9	Very high	22 Å²	22	26.9 Å²	26.9	12%	0.118	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	11.5	173.8	65.7	-12.6	0	0	0	113.6	H574 T575 A576 G594 Q598	H574-D596 WeakPolarHBondContact CA-OD2 3.46Å; H574-D596 VanDerWaalsContact CB-OD2 3.25Å; H574-D596 WeakPolarHBondContact CB-OD2 3.45Å; H574-D596 IonicContact CE1-OD1 2.64Å; H574-D596 IonicContact CG-OD1 2.89Å; H574-D596 IonicContact CG-OD2 2.88Å; H574-D596 IonicContact ND1-OD1 3.99Å; H574-D596 PolarHBondContact ND1-OD1 2.79Å; H574-D596 IonicContact ND1-OD2 2.95Å; H574-D596 PolarHBondContact ND1-OD2 2.75Å; H574-D596 VanDerWaalsContact ND1-OD2 3.14Å; T575-D596 PolarHBondContact N-OD2 2.86Å; T575-D596 WeakPolarHBondContact OG1-CB 3.4Å; A576-D596 HydrophobicContact CB-CB 3.95Å; G594-D596 WeakPolarHBondContact CA-OD1 3.32Å; G594-D596 PolarHBondContact O-N 3.32Å; D596-Q598 VanDerWaalsContact C-N 3.26Å; D596-Q598 PolarHBondContact O-N 2.96Å; D596-Q598 PolarHBondContact OD1-N 3.47Å
597	E	95.1	Very high	88.8	Confident	40 Å²	40	28.9 Å²	28.9	19%	0.187	17%	0.165	C	C	.	.	S	Bend	trans	68	25	174.8	-45.9	166.5	157.8	0	0	112.9	G594 L595 R633 T634 N636	G594-E597 PolarHBondContact O-N 3.07Å; L595-E597 PolarHBondContact O-N 3.38Å; E597-R633 IonicContact OE2-CZ 3.77Å; E597-R633 IonicContact OE2-NE 3.97Å; E597-R633 IonicContact OE2-NH2 2.76Å; E597-R633 PolarHBondContact OE2-NH2 2.86Å; E597-T634 WeakPolarHBondContact CB-OG1 3.5Å; E597-T634 PolarHBondContact O-N 3.35Å; E597-T634 PolarHBondContact O-OG1 3.36Å; E597-N636 VanDerWaalsContact OE1-CA 3.28Å; E597-N636 WeakPolarHBondContact OE1-CA 3.31Å
598	Q	94.9	Very high	86.1	Confident	39 Å²	39	30.9 Å²	30.9	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.3	-178.6	-62.2	-76.5	6.9	0	0	111.7	H574 G594 D596 V600 S631 F632 R633 V639	H574-Q598 PolarHBondContact CE1-O 2.89Å; G594-Q598 PolarHBondContact N-O 2.97Å; D596-Q598 VanDerWaalsContact C-N 3.26Å; D596-Q598 PolarHBondContact O-N 2.96Å; D596-Q598 PolarHBondContact OD1-N 3.47Å; Q598-V600 HydrophobicContact CB-CG2 4.29Å; Q598-S631 PolarHBondContact OE1-OG 3.41Å; Q598-F632 PolarHBondContact OE1-O 2.92Å; Q598-R633 VanDerWaalsContact OE1-CB 3.3Å; Q598-V639 WeakPolarHBondContact O-CG2 3.2Å
599	V	95.5	Very high	83.6	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.6	158.7	-174.4	0	0	0	0	107.3	I325 S592 S631 F632 V639 L650 C652	I325-V599 HydrophobicContact CD1-CG1 4.15Å; S592-V599 CarbonylContact O-C 3.6Å; S592-V599 WeakPolarHBondContact O-CA 3.47Å; V599-S631 CarbonylContact O-C 3.48Å; V599-S631 WeakPolarHBondContact O-CA 3.24Å; V599-F632 HydrophobicContact CB-CB 4.41Å; V599-F632 PolarHBondContact N-O 2.95Å; V599-F632 PolarHBondContact O-N 3.49Å; V599-V639 HydrophobicContact CG2-CB 4.45Å; V599-V639 HydrophobicContact CG2-CG1 4Å; V599-V639 HydrophobicContact CG2-CG2 3.72Å; V599-L650 HydrophobicContact CG1-CD2 3.76Å; V599-C652 HydrophobicContact CG2-CB 4.3Å
600	V	95.1	Very high	80.8	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.7	177.4	-170.9	0	0	0	0	109.4	A591 S592 Q598 H602 C630	A591-V600 CarbonylContact C-O 3.59Å; A591-V600 VanDerWaalsContact CA-O 3.28Å; A591-V600 WeakPolarHBondContact CA-O 3.3Å; S592-V600 PolarHBondContact N-O 2.93Å; S592-V600 PolarHBondContact O-N 3.31Å; S592-V600 PolarHBondContact OG-O 3.08Å; Q598-V600 HydrophobicContact CB-CG2 4.29Å; V600-H602 WeakPolarHBondContact CG1-CE1 3.3Å; V600-C630 CarbonylContact C-O 3.59Å; V600-C630 WeakPolarHBondContact CA-O 3.45Å
601	V	93.6	Very high	78	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.7	176.5	-177.1	0	0	0	0	108.8	Y589 I590 A591 S629 C630 L650	Y589-V601 HydrophobicContact CD1-CG1 4.18Å; I590-V601 CarbonylContact O-C 3.6Å; I590-V601 VanDerWaalsContact O-CA 3.3Å; I590-V601 WeakPolarHBondContact O-CA 3.43Å; A591-V601 HydrophobicContact CB-CG2 4.13Å; V601-S629 CarbonylContact O-C 3.6Å; V601-S629 VanDerWaalsContact O-CA 3.26Å; V601-S629 WeakPolarHBondContact O-CA 3.21Å; V601-C630 PolarHBondContact N-O 2.79Å; V601-C630 PolarHBondContact O-N 2.7Å; V601-L650 HydrophobicContact CG2-CD2 3.91Å
602	H	91.8	Very high	74.8	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.8	174.6	-54.2	81.7	0	0	0	109.4	F571 S573 Y589 I590 V600 S629	F571-H602 AromaticContact CD1-CD2 3.55Å; F571-H602 AromaticContact CD1-NE2 3.88Å; F571-H602 HydrophobicContact CE1-CB 4.46Å; F571-H602 AromaticContact CE1-CD2 3.84Å; F571-H602 HydrophobicContact CE2-CB 4.25Å; F571-H602 AromaticContact CG-CD2 3.74Å; F571-H602 AromaticContact CG-NE2 3.73Å; F571-H602 HydrophobicContact CZ-CB 4.12Å; S573-H602 VanDerWaalsContact CB-CE1 3.47Å; S573-H602 WeakPolarHBondContact CB-CE1 3.5Å; Y589-H602 VanDerWaalsContact CA-O 3.24Å; Y589-H602 WeakPolarHBondContact CA-O 3.17Å; I590-H602 HydrophobicContact CG2-CB 3.76Å; I590-H602 PolarHBondContact N-O 2.95Å; I590-H602 PolarHBondContact O-N 3.04Å; V600-H602 WeakPolarHBondContact CG1-CE1 3.3Å; H602-S629 VanDerWaalsContact CD2-CB 3.41Å; H602-S629 WeakPolarHBondContact CD2-CB 3.49Å
603	S	88.4	Confident	72	Confident	8 Å²	8	54.1 Å²	54.1	6%	0.056	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	139.8	164.7	-168.1	0	0	0	0	109.3	L605 L627 S628	S603-L605 PolarHBondContact OG-N 3.14Å; S603-L627 WeakPolarHBondContact O-CB 3.2Å; S603-L627 WeakPolarHBondContact O-CD2 3.45Å; S603-S628 VanDerWaalsContact CB-OG 3.23Å; S603-S628 WeakPolarHBondContact CB-OG 3.36Å; S603-S628 PolarHBondContact N-O 3.18Å
604	L	86.5	Confident	69	Low	27 Å²	27	58.9 Å²	58.9	14%	0.141	36%	0.36	C	S	.	.			trans	-104.4	1.3	173.7	-59	171.6	0	0	0	111.4	M547 F571 F583 S588 I590 S606 L627	M547-L604 HydrophobicContact CE-CD1 3.95Å; M547-L604 HydrophobicContact CE-CD2 4.49Å; F571-L604 HydrophobicContact CE2-CD2 4.42Å; F571-L604 HydrophobicContact CZ-CD2 4.31Å; F583-L604 HydrophobicContact CD1-CD1 3.92Å; F583-L604 HydrophobicContact CE1-CD1 3.53Å; S588-L604 PolarHBondContact O-N 3.27Å; I590-L604 HydrophobicContact CB-CD1 4.37Å; I590-L604 HydrophobicContact CG2-CD1 4.39Å; I590-L604 HydrophobicContact CG2-CD2 4.14Å; I590-L604 HydrophobicContact CG2-CG 4.34Å; L604-S606 PolarHBondContact O-N 3.12Å; L604-L627 HydrophobicContact CD2-CD1 4.39Å
605	L	78	Confident	66	Low	87 Å²	87	66 Å²	66	46%	0.455	40%	0.397	S	S	.	.			trans	-74.9	114.4	172.9	-71.4	127.8	0	0	0	108.7	S603 S607	S603-L605 PolarHBondContact OG-N 3.14Å; L605-S607 PolarHBondContact O-N 3.43Å
606	S	57.7	Low	63.2	Low	65 Å²	65	64.6 Å²	64.6	46%	0.455	39%	0.39	S	S	.	.			trans	-64.3	126	168.5	-177.9	0	0	0	0	109.2	L604 S608	L604-S606 PolarHBondContact O-N 3.12Å; S606-S608 PolarHBondContact O-N 3.01Å; S606-S608 PolarHBondContact OG-N 3.2Å; S606-S608 PolarHBondContact OG-O 3.47Å; S606-S608 PolarHBondContact OG-OG 2.94Å
607	S	43.2	Very low	60.4	Low	114 Å²	114	69.4 Å²	69.4	80%	0.797	42%	0.415	S	S	*	.	S	Bend	trans	-67.2	-8.8	172.9	55.9	0	0	0	0	112.9	L605	L605-S607 PolarHBondContact O-N 3.43Å
608	S	35.1	Very low	57.7	Low	58 Å²	58	74 Å²	74	41%	0.406	44%	0.441	S	S	.	.			trans	-109.3	106.2	179.4	63.8	0	0	0	0	112	S606 V610	S606-S608 PolarHBondContact O-N 3.01Å; S606-S608 PolarHBondContact OG-N 3.2Å; S606-S608 PolarHBondContact OG-O 3.47Å; S606-S608 PolarHBondContact OG-OG 2.94Å; S608-V610 PolarHBondContact O-N 3.49Å
609	S	35.6	Very low	55	Low	122 Å²	122	73.6 Å²	73.6	85%	0.853	44%	0.444	S	S	*	.			trans	-78.5	19.5	174.9	53.2	0	0	0	0	114.8
610	V	32.3	Very low	52.5	Low	126 Å²	126	74.7 Å²	74.7	76%	0.764	46%	0.456	S	S	*	.			trans	-144.4	79.5	-176.3	-167.7	0	0	0	0	111.2	S608	S608-V610 PolarHBondContact O-N 3.49Å
611	V	35.2	Very low	50.2	Low	89 Å²	89	75.3 Å²	75.3	54%	0.539	46%	0.46	S	S	.	.			trans	-142.8	116.3	155	-146	0	0	0	0	109.3	S613 L616	V611-S613 PolarHBondContact O-N 2.95Å; V611-L616 HydrophobicContact CB-CD1 4.22Å; V611-L616 HydrophobicContact CG1-CD1 4.15Å
612	D	29.1	Very low	48	Very low	126 Å²	126	79.2 Å²	79.2	67%	0.674	49%	0.488	S	S	*	.			trans	-55	121	179.4	-124.9	-22.6	0	0	0	110.2	T614 L615	D612-T614 PolarHBondContact O-N 3.16Å; D612-L615 PolarHBondContact O-N 2.99Å
613	S	38.3	Very low	45.7	Very low	111 Å²	111	82 Å²	82	78%	0.776	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	2.3	-171.8	-54.2	0	0	0	0	114.7	V611	V611-S613 PolarHBondContact O-N 2.95Å
614	T	35.7	Very low	43.8	Very low	100 Å²	100	85 Å²	85	61%	0.613	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-20.2	-179.2	53.5	0	0	0	0	114	D612	D612-T614 PolarHBondContact O-N 3.16Å
615	L	34	Very low	41.9	Very low	149 Å²	149	85.2 Å²	85.2	78%	0.78	53%	0.531	S	S	*	.	S	Bend	trans	-98.4	-2.6	-177	-69.1	176.8	0	0	0	114.4	D612	D612-L615 PolarHBondContact O-N 2.99Å
616	L	35.9	Very low	40.7	Very low	51 Å²	51	90.2 Å²	90.2	27%	0.267	55%	0.552	S	S	.	*			trans	-102.2	29.4	-178.1	-61.3	173.3	0	0	0	113.2	V611 D618 A619	V611-L616 HydrophobicContact CB-CD1 4.22Å; V611-L616 HydrophobicContact CG1-CD1 4.15Å; L616-D618 PolarHBondContact O-N 2.98Å; L616-A619 HydrophobicContact CB-CB 4.1Å; L616-A619 HydrophobicContact CD2-CB 3.29Å; L616-A619 HydrophobicContact CG-CB 4.28Å
617	L	38.3	Very low	41.1	Very low	123 Å²	123	88.6 Å²	88.6	64%	0.644	54%	0.538	S	S	*	.	S	Bend	trans	-67.8	-18.3	175.3	-88.2	160	0	0	0	113.3
618	D	37.2	Very low	42.7	Very low	136 Å²	136	87 Å²	87	73%	0.727	53%	0.527	S	S	*	.	S	Bend	trans	-132.9	10.7	179.4	-86.8	-29.6	0	0	0	113.6	L616 G620	L616-D618 PolarHBondContact O-N 2.98Å; D618-G620 PolarHBondContact O-N 3.36Å
619	A	38.8	Very low	45.1	Very low	31 Å²	31	87.9 Å²	87.9	26%	0.256	53%	0.533	S	S	.	.			trans	-80.3	113.2	179	0	0	0	0	0	109.8	L616 A623	L616-A619 HydrophobicContact CB-CB 4.1Å; L616-A619 HydrophobicContact CD2-CB 3.29Å; L616-A619 HydrophobicContact CG-CB 4.28Å; A619-A623 HydrophobicContact CB-CB 3.74Å
620	G	43.8	Very low	47.6	Very low	25 Å²	25	84.2 Å²	84.2	26%	0.258	51%	0.507	S	S	.	.			trans	-57.2	163.5	178.3	0	0	0	0	0	113.2	D618 S622 A623	D618-G620 PolarHBondContact O-N 3.36Å; G620-S622 PolarHBondContact O-N 3.47Å; G620-A623 WeakPolarHBondContact O-CB 3.4Å; G620-A623 PolarHBondContact O-N 3.49Å
621	P	46.8	Very low	50.3	Low	20 Å²	20	81.5 Å²	81.5	13%	0.13	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-50	-32.8	-176.6	17	-31.2	0	0	0	114.1	N213 M568 A623 R624	N213-P621 WeakPolarHBondContact ND2-CD 3.23Å; M568-P621 WeakPolarHBondContact O-CB 3.34Å; P621-A623 VanDerWaalsContact C-N 3.3Å; P621-A623 PolarHBondContact O-N 3.22Å; P621-R624 WeakPolarHBondContact O-CB 3.43Å; P621-R624 PolarHBondContact O-N 3.46Å; P621-R624 VanDerWaalsContact O-N 3.17Å
622	S	47.4	Very low	53.1	Low	87 Å²	87	81.1 Å²	81.1	61%	0.608	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-68.3	-22.6	177.7	-42.3	0	0	0	0	114.4	E209 G620 R624	E209-S622 WeakPolarHBondContact OE1-CB 3.33Å; E209-S622 PolarHBondContact OE1-OG 3.14Å; G620-S622 PolarHBondContact O-N 3.47Å; S622-R624 PolarHBondContact O-N 2.91Å
623	A	41.6	Very low	56.1	Low	66 Å²	66	83.3 Å²	83.3	55%	0.545	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-74.8	-15.5	174.8	0	0	0	0	0	112.4	A619 G620 P621 G625	A619-A623 HydrophobicContact CB-CB 3.74Å; G620-A623 WeakPolarHBondContact O-CB 3.4Å; G620-A623 PolarHBondContact O-N 3.49Å; P621-A623 VanDerWaalsContact C-N 3.3Å; P621-A623 PolarHBondContact O-N 3.22Å; A623-G625 PolarHBondContact O-N 3.12Å
624	R	49.7	Very low	58.6	Low	71 Å²	71	79 Å²	79	27%	0.268	45%	0.453	S	S	.	.	S	Bend	trans	-90.2	100.7	171.9	-59.4	-178.4	177.9	-171.2	0.4	106.1	P621 S622	P621-R624 WeakPolarHBondContact O-CB 3.43Å; P621-R624 PolarHBondContact O-N 3.46Å; P621-R624 VanDerWaalsContact O-N 3.17Å; S622-R624 PolarHBondContact O-N 2.91Å
625	G	47.3	Very low	61	Low	32 Å²	32	85 Å²	85	33%	0.33	46%	0.464	S	S	.	.			trans	-45.2	159.4	-163.7	0	0	0	0	0	117.2	A623 L627	A623-G625 PolarHBondContact O-N 3.12Å; G625-L627 PolarHBondContact O-N 3.1Å
626	E	51.3	Low	63.6	Low	193 Å²	193	83.3 Å²	83.3	90%	0.902	46%	0.456	S	S	*	.			trans	-44.8	110.7	-176.1	-71.4	178.9	176.1	0	0	112.3
627	L	66.2	Low	66.3	Low	30 Å²	30	81.4 Å²	81.4	16%	0.157	45%	0.446	C	S	.	.			trans	-78.6	135.8	174.3	-70.5	172.8	0	0	0	109.1	F571 S603 L604 G625 S629	F571-L627 HydrophobicContact CE1-CB 4.43Å; F571-L627 HydrophobicContact CE1-CD1 3.88Å; F571-L627 HydrophobicContact CZ-CD1 3.63Å; S603-L627 WeakPolarHBondContact O-CB 3.2Å; S603-L627 WeakPolarHBondContact O-CD2 3.45Å; L604-L627 HydrophobicContact CD2-CD1 4.39Å; G625-L627 PolarHBondContact O-N 3.1Å; L627-S629 PolarHBondContact O-N 3.3Å
628	S	78.1	Confident	69	Low	81 Å²	81	77.4 Å²	77.4	57%	0.566	43%	0.427	S	S	*	.			trans	-69.5	129.9	177.3	63.7	0	0	0	0	110.6	S603	S603-S628 VanDerWaalsContact CB-OG 3.23Å; S603-S628 WeakPolarHBondContact CB-OG 3.36Å; S603-S628 PolarHBondContact N-O 3.18Å
629	S	83.9	Confident	71.9	Confident	77 Å²	77	70.9 Å²	70.9	54%	0.538	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.1	172.4	67.5	0	0	0	0	111.8	V601 H602 L627	V601-S629 CarbonylContact O-C 3.6Å; V601-S629 VanDerWaalsContact O-CA 3.26Å; V601-S629 WeakPolarHBondContact O-CA 3.21Å; H602-S629 VanDerWaalsContact CD2-CB 3.41Å; H602-S629 WeakPolarHBondContact CD2-CB 3.49Å; L627-S629 PolarHBondContact O-N 3.3Å
630	C	88	Confident	74.6	Confident	44 Å²	44	71.5 Å²	71.5	30%	0.297	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.8	168.9	51.1	0	0	0	0	110.1	V600 V601 F632	V600-C630 CarbonylContact C-O 3.59Å; V600-C630 WeakPolarHBondContact CA-O 3.45Å; V601-C630 PolarHBondContact N-O 2.79Å; V601-C630 PolarHBondContact O-N 2.7Å; C630-F632 HydrophobicContact CB-CE2 3.93Å; C630-F632 HydrophobicContact CB-CZ 4.1Å; C630-F632 VanDerWaalsContact SG-CE2 3.5Å
631	S	90.7	Very high	77.2	Confident	69 Å²	69	71.7 Å²	71.7	48%	0.483	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.6	179.3	-171.4	0	0	0	0	109.9	Q598 V599	Q598-S631 PolarHBondContact OE1-OG 3.41Å; V599-S631 CarbonylContact O-C 3.48Å; V599-S631 WeakPolarHBondContact O-CA 3.24Å
632	F	92.3	Very high	79.6	Confident	82 Å²	82	70.8 Å²	70.8	36%	0.36	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.8	-179.6	-56.7	-90.3	0	0	0	109.5	P323 I325 Q598 V599 C630	P323-F632 HydrophobicContact CG-CE2 4.17Å; P323-F632 HydrophobicContact CG-CZ 4.01Å; I325-F632 HydrophobicContact CD1-CB 4.28Å; I325-F632 HydrophobicContact CD1-CD1 4.3Å; I325-F632 HydrophobicContact CD1-CD2 3.27Å; I325-F632 HydrophobicContact CD1-CE1 4.49Å; I325-F632 HydrophobicContact CD1-CE2 3.5Å; I325-F632 VanDerWaalsContact CD1-CE2 3.5Å; I325-F632 HydrophobicContact CD1-CG 3.71Å; I325-F632 HydrophobicContact CD1-CZ 4.12Å; Q598-F632 PolarHBondContact OE1-O 2.92Å; V599-F632 HydrophobicContact CB-CB 4.41Å; V599-F632 PolarHBondContact N-O 2.95Å; V599-F632 PolarHBondContact O-N 3.49Å; C630-F632 HydrophobicContact CB-CE2 3.93Å; C630-F632 HydrophobicContact CB-CZ 4.1Å; C630-F632 VanDerWaalsContact SG-CE2 3.5Å
633	R	92.5	Very high	81.9	Confident	171 Å²	171	67.2 Å²	67.2	65%	0.645	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.2	-179.5	-162.4	175.2	177.5	166.6	1.9	111.1	E597 Q598	E597-R633 IonicContact OE2-CZ 3.77Å; E597-R633 IonicContact OE2-NE 3.97Å; E597-R633 IonicContact OE2-NH2 2.76Å; E597-R633 PolarHBondContact OE2-NH2 2.86Å; Q598-R633 VanDerWaalsContact OE1-CB 3.3Å
634	T	91.2	Very high	84.5	Confident	21 Å²	21	64.4 Å²	64.4	13%	0.129	33%	0.327	C	S	.	.			trans	-82.6	171.6	172.6	76.2	0	0	0	0	110.9	F327 E597 N636 I637 V639	F327-T634 HydrophobicContact CD2-CG2 3.95Å; F327-T634 HydrophobicContact CE2-CG2 3.68Å; F327-T634 HydrophobicContact CZ-CG2 4Å; E597-T634 WeakPolarHBondContact CB-OG1 3.5Å; E597-T634 PolarHBondContact O-N 3.35Å; E597-T634 PolarHBondContact O-OG1 3.36Å; T634-N636 VanDerWaalsContact C-N 3.33Å; T634-N636 PolarHBondContact O-N 3.38Å; T634-N636 VanDerWaalsContact O-N 3.16Å; T634-I637 PolarHBondContact OG1-N 3.2Å; T634-I637 VanDerWaalsContact OG1-N 3.13Å; T634-I637 PolarHBondContact OG1-O 3.31Å; T634-V639 HydrophobicContact CG2-CG2 3.62Å
635	R	86.4	Confident	86.5	Confident	226 Å²	226	61.5 Å²	61.5	85%	0.853	32%	0.317	S	S	*	.	S	Bend	trans	-87.7	68.5	177.2	-67.4	-176.2	-178.3	175.5	1.2	111.1
636	N	88.2	Confident	88.6	Confident	113 Å²	113	60.8 Å²	60.8	60%	0.604	31%	0.305	S	S	*	.	S	Bend	trans	61.5	41.2	-178.4	-52.4	-13.3	0	0	0	113.8	E597 T634	E597-N636 VanDerWaalsContact OE1-CA 3.28Å; E597-N636 WeakPolarHBondContact OE1-CA 3.31Å; T634-N636 VanDerWaalsContact C-N 3.33Å; T634-N636 PolarHBondContact O-N 3.38Å; T634-N636 VanDerWaalsContact O-N 3.16Å
637	I	93.8	Very high	90.4	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.056	28%	0.283	C	S	.	.			trans	-127.5	112.9	179.3	-57.7	173.1	0	0	0	108.2	F327 T634 V639 V655 K656	F327-I637 HydrophobicContact CE1-CB 4.04Å; F327-I637 HydrophobicContact CE1-CD1 3.95Å; F327-I637 HydrophobicContact CE1-CG2 3.8Å; F327-I637 HydrophobicContact CZ-CB 3.98Å; F327-I637 HydrophobicContact CZ-CG2 3.58Å; T634-I637 PolarHBondContact OG1-N 3.2Å; T634-I637 VanDerWaalsContact OG1-N 3.13Å; T634-I637 PolarHBondContact OG1-O 3.31Å; I637-V639 PolarHBondContact O-N 3.15Å; I637-V655 WeakPolarHBondContact CG2-O 3.49Å; I637-K656 HydrophobicContact CD1-CB 3.86Å; I637-K656 HydrophobicContact CD1-CD 4.26Å; I637-K656 HydrophobicContact CD1-CG 4.15Å; I637-K656 HydrophobicContact CG1-CB 3.98Å; I637-K656 HydrophobicContact CG1-CG 4.06Å
638	P	94.9	Very high	91.5	Very high	39 Å²	39	57.4 Å²	57.4	25%	0.253	28%	0.284	S	S	.	.			trans	-51.2	137.5	171.2	-30.2	38.3	0	0	0	111.8	L595 Q640 G654	L595-P638 HydrophobicContact CD2-CB 3.94Å; P638-Q640 PolarHBondContact O-N 2.8Å; P638-G654 WeakPolarHBondContact O-CA 3.48Å
639	V	96.6	Very high	92.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.			trans	-91.8	101.1	177.7	-172.7	0	0	0	0	107.9	F327 C579 G593 G594 Q598 V599 T634 I637 V642 C652	F327-V639 HydrophobicContact CE2-CG1 4.4Å; F327-V639 HydrophobicContact CE2-CG2 3.99Å; C579-V639 WeakPolarHBondContact CB-O 3.49Å; G593-V639 CarbonylContact C-O 3.59Å; G594-V639 PolarHBondContact N-O 3.34Å; G594-V639 PolarHBondContact O-N 3.21Å; Q598-V639 WeakPolarHBondContact O-CG2 3.2Å; V599-V639 HydrophobicContact CG2-CB 4.45Å; V599-V639 HydrophobicContact CG2-CG1 4Å; V599-V639 HydrophobicContact CG2-CG2 3.72Å; T634-V639 HydrophobicContact CG2-CG2 3.62Å; I637-V639 PolarHBondContact O-N 3.15Å; V639-V642 HydrophobicContact CG1-CG1 3.81Å; V639-C652 HydrophobicContact CG1-CB 4.24Å
640	Q	96.4	Very high	92.6	Very high	44 Å²	44	52.5 Å²	52.5	21%	0.206	25%	0.245	C	C	.	.			trans	-87.9	-29.6	-174.4	-69.4	177.4	-59.5	0	0	112.8	A337 F340 C579 S580 P638 F653	A337-Q640 PolarHBondContact O-NE2 2.84Å; A337-Q640 VanDerWaalsContact O-NE2 3.1Å; F340-Q640 HydrophobicContact CD2-CB 4.02Å; F340-Q640 HydrophobicContact CE2-CB 3.71Å; F340-Q640 HydrophobicContact CE2-CG 4.37Å; C579-Q640 WeakPolarHBondContact CB-O 3.44Å; S580-Q640 WeakPolarHBondContact CB-O 3.44Å; P638-Q640 PolarHBondContact O-N 2.8Å; Q640-F653 PolarHBondContact N-O 3.21Å
641	Q	97.5	Very high	92.9	Very high	28 Å²	28	52.2 Å²	52.2	13%	0.131	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.8	179.1	-176.8	64.3	9.2	0	0	111.6	F340 S580 C652 F653	F340-Q641 HydrophobicContact CB-CB 3.68Å; F340-Q641 HydrophobicContact CB-CG 3.89Å; F340-Q641 HydrophobicContact CD2-CB 4.32Å; F340-Q641 HydrophobicContact CG-CB 4.08Å; S580-Q641 PolarHBondContact OG-OE1 2.99Å; Q641-C652 CarbonylContact O-C 3.56Å; Q641-C652 WeakPolarHBondContact O-CA 3.41Å; Q641-F653 HydrophobicContact CB-CB 4.3Å; Q641-F653 HydrophobicContact CB-CD2 4.31Å; Q641-F653 HydrophobicContact CG-CD2 4.34Å; Q641-F653 PolarHBondContact N-O 3.4Å; Q641-F653 PolarHBondContact O-N 2.76Å
642	V	97.2	Very high	93.3	Very high	1 Å²	1	49 Å²	49	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.5	169.9	-61	0	0	0	0	109.8	S580 D582 A591 V639 L650 Y651	S580-V642 PolarHBondContact OG-N 3.26Å; S580-V642 VanDerWaalsContact OG-N 3.08Å; D582-V642 HydrophobicContact CB-CG2 4.01Å; A591-V642 HydrophobicContact CB-CG2 4.49Å; V639-V642 HydrophobicContact CG1-CG1 3.81Å; V642-L650 HydrophobicContact CB-CD1 4.22Å; V642-Y651 CarbonylContact C-O 3.55Å; V642-Y651 WeakPolarHBondContact CA-O 3.4Å
643	H	96.8	Very high	93.4	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.06	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	123.3	-178.1	-178.2	82.1	0	0	0	111.8	V342 S346 D582 R585 Y651	V342-H643 HydrophobicContact CB-CB 4.24Å; V342-H643 HydrophobicContact CG2-CB 4.14Å; S346-H643 PolarHBondContact OG-CD2 3.27Å; S346-H643 VanDerWaalsContact OG-CD2 3.25Å; S346-H643 PolarHBondContact OG-NE2 3.04Å; D582-H643 WeakPolarHBondContact OD2-CA 3.38Å; R585-H643 PolarHBondContact NH2-CE1 3.22Å; H643-Y651 PolarHBondContact N-O 2.66Å; H643-Y651 PolarHBondContact O-N 2.82Å
644	F	94.9	Very high	93.6	Very high	7 Å²	7	37 Å²	37	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.9	168.9	-78.7	-77.4	0	0	0	110.9	D582 F583 S584 R585 A591 L649 L650	D582-F644 HydrophobicContact CB-CD2 4.25Å; D582-F644 WeakPolarHBondContact O-CE2 3.33Å; D582-F644 PolarHBondContact OD2-N 2.82Å; F583-F644 WeakPolarHBondContact O-CD2 3.37Å; S584-F644 VanDerWaalsContact N-CD2 3.25Å; R585-F644 PolarHBondContact NE-O 3.12Å; R585-F644 PolarHBondContact NH2-O 3.37Å; A591-F644 HydrophobicContact CB-CD2 4.48Å; A591-F644 HydrophobicContact CB-CE2 3.49Å; A591-F644 VanDerWaalsContact CB-CE2 3.49Å; A591-F644 HydrophobicContact CB-CZ 3.8Å; F644-L649 WeakPolarHBondContact CA-O 3.5Å; F644-L650 HydrophobicContact CD1-CB 4.31Å; F644-L650 HydrophobicContact CD1-CD1 4.17Å; F644-L650 HydrophobicContact CD2-CD1 4.03Å; F644-L650 HydrophobicContact CE1-CB 4.04Å; F644-L650 HydrophobicContact CE1-CD1 4.07Å; F644-L650 HydrophobicContact CE2-CD1 3.95Å; F644-L650 HydrophobicContact CG-CD1 4.17Å; F644-L650 HydrophobicContact CZ-CD1 3.97Å
645	T	93.3	Very high	93.6	Very high	9 Å²	9	37 Å²	37	6%	0.055	17%	0.168	C	C	.	.			trans	-63.6	165.6	169	66.2	0	0	0	0	111.7	S346 R585 R647 N648 L649 Y651	S346-T645 WeakPolarHBondContact OG-CA 3.48Å; S346-T645 WeakPolarHBondContact OG-CG2 3.34Å; R585-T645 WeakPolarHBondContact CG-O 3.2Å; T645-R647 PolarHBondContact O-N 2.9Å; T645-R647 PolarHBondContact OG1-N 3.15Å; T645-N648 PolarHBondContact O-N 3.16Å; T645-L649 HydrophobicContact CG2-CB 4.06Å; T645-L649 WeakPolarHBondContact CG2-O 3.23Å; T645-L649 PolarHBondContact N-O 3.23Å; T645-L649 WeakPolarHBondContact OG1-CA 3.33Å; T645-L649 WeakPolarHBondContact OG1-CB 3.26Å; T645-L649 PolarHBondContact OG1-N 3.16Å; T645-L649 PolarHBondContact OG1-O 3.41Å; T645-L649 VanDerWaalsContact OG1-O 3.07Å; T645-Y651 HydrophobicContact CG2-CD1 3.98Å; T645-Y651 HydrophobicContact CG2-CD2 4.02Å; T645-Y651 HydrophobicContact CG2-CE1 3.79Å; T645-Y651 HydrophobicContact CG2-CE2 3.83Å; T645-Y651 HydrophobicContact CG2-CG 4.1Å
646	R	90.4	Very high	93.5	Very high	17 Å²	17	30.8 Å²	30.8	6%	0.064	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.4	174.1	-67.9	173.4	176.3	-170.6	-3.3	114.3	D303 E310 E344	D303-R646 IonicContact OD1-NH1 3.93Å; D303-R646 IonicContact OD1-NH2 3.86Å; D303-R646 IonicContact OD2-CZ 2.97Å; D303-R646 IonicContact OD2-NH1 3.34Å; D303-R646 IonicContact OD2-NH2 3.71Å; D303-R646 PolarHBondContact OD2-NH2 2.98Å; E310-R646 HydrophobicContact CB-CB 4.29Å; E310-R646 VanDerWaalsContact OE2-CD 3.25Å; E310-R646 WeakPolarHBondContact OE2-CD 3.36Å; E344-R646 PolarHBondContact O-NE 3.25Å; E344-R646 VanDerWaalsContact O-NE 3.14Å
647	R	88.8	Confident	92.8	Very high	118 Å²	118	30 Å²	30	45%	0.445	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	10.3	178	-60.3	-171.5	-169	177.6	9.5	114	E310 T645 L649	E310-R647 IonicContact OE1-CZ 3.06Å; E310-R647 IonicContact OE1-NE 2.75Å; E310-R647 IonicContact OE1-NH2 3.8Å; E310-R647 PolarHBondContact OE1-NH2 2.6Å; E310-R647 VanDerWaalsContact OE1-NH2 3.12Å; T645-R647 PolarHBondContact O-N 2.9Å; T645-R647 PolarHBondContact OG1-N 3.15Å; R647-L649 PolarHBondContact O-N 3.47Å
648	N	89.4	Confident	91.2	Very high	35 Å²	35	40 Å²	40	19%	0.187	20%	0.197	C	C	.	.			trans	62.6	21.9	-176.3	-70.6	-14.2	0	0	0	115	R585 D586 T645	R585-N648 VanDerWaalsContact CB-OD1 3.31Å; R585-N648 WeakPolarHBondContact CB-OD1 3.13Å; R585-N648 PolarHBondContact N-OD1 3.35Å; D586-N648 VanDerWaalsContact CG-ND2 3.29Å; D586-N648 PolarHBondContact OD1-ND2 3.16Å; D586-N648 PolarHBondContact OD2-ND2 3.23Å; T645-N648 PolarHBondContact O-N 3.16Å
649	L	91.1	Very high	91	Very high	54 Å²	54	40.1 Å²	40.1	28%	0.283	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-70.5	138.8	158.5	-56.5	175.1	0	0	0	108.8	T324 Y326 F644 T645 R647 Y651	T324-L649 HydrophobicContact CG2-CD2 4.21Å; Y326-L649 HydrophobicContact CE2-CD1 4.2Å; Y326-L649 HydrophobicContact CE2-CD2 4.47Å; F644-L649 WeakPolarHBondContact CA-O 3.5Å; T645-L649 HydrophobicContact CG2-CB 4.06Å; T645-L649 WeakPolarHBondContact CG2-O 3.23Å; T645-L649 PolarHBondContact N-O 3.23Å; T645-L649 WeakPolarHBondContact OG1-CA 3.33Å; T645-L649 WeakPolarHBondContact OG1-CB 3.26Å; T645-L649 PolarHBondContact OG1-N 3.16Å; T645-L649 PolarHBondContact OG1-O 3.41Å; T645-L649 VanDerWaalsContact OG1-O 3.07Å; R647-L649 PolarHBondContact O-N 3.47Å; L649-Y651 HydrophobicContact CB-CE1 4.32Å
650	L	94	Very high	90.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116	178.4	-176.8	61.3	0	0	0	109.6	T324 I325 Y326 A591 V599 V601 V642 F644	T324-L650 PolarHBondContact O-N 3.43Å; T324-L650 VanDerWaalsContact O-N 3.09Å; I325-L650 CarbonylContact C-O 3.6Å; I325-L650 WeakPolarHBondContact CA-O 3.17Å; I325-L650 HydrophobicContact CD1-CD2 4.07Å; I325-L650 HydrophobicContact CG1-CB 4.29Å; I325-L650 HydrophobicContact CG1-CD2 4.02Å; I325-L650 HydrophobicContact CG2-CD2 4.32Å; I325-L650 HydrophobicContact CG2-CG 4.42Å; Y326-L650 PolarHBondContact N-O 3.5Å; A591-L650 HydrophobicContact CB-CD1 3.73Å; A591-L650 HydrophobicContact CB-CD2 3.66Å; A591-L650 HydrophobicContact CB-CG 4.38Å; V599-L650 HydrophobicContact CG1-CD2 3.76Å; V601-L650 HydrophobicContact CG2-CD2 3.91Å; V642-L650 HydrophobicContact CB-CD1 4.22Å; F644-L650 HydrophobicContact CD1-CB 4.31Å; F644-L650 HydrophobicContact CD1-CD1 4.17Å; F644-L650 HydrophobicContact CD2-CD1 4.03Å; F644-L650 HydrophobicContact CE1-CB 4.04Å; F644-L650 HydrophobicContact CE1-CD1 4.07Å; F644-L650 HydrophobicContact CE2-CD1 3.95Å; F644-L650 HydrophobicContact CG-CD1 4.17Å; F644-L650 HydrophobicContact CZ-CD1 3.97Å
651	Y	95.7	Very high	90.4	Very high	38 Å²	38	42.1 Å²	42.1	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.6	169.5	-69.8	-0	0	0	0	109	Y326 Y328 L363 V642 H643 T645 L649 F653	Y326-Y651 HydrophobicContact CD2-CD1 4.13Å; Y326-Y651 AromaticContact CD2-CE1 3.8Å; Y326-Y651 HydrophobicContact CD2-CE1 3.8Å; Y326-Y651 HydrophobicContact CG-CD1 4.35Å; Y326-Y651 HydrophobicContact CG-CE1 4.17Å; Y326-Y651 CarbonylContact O-C 3.6Å; Y326-Y651 WeakPolarHBondContact O-CA 3.41Å; Y328-Y651 HydrophobicContact CE2-CD1 4.15Å; Y328-Y651 HydrophobicContact CE2-CD2 4.16Å; Y328-Y651 HydrophobicContact CE2-CE1 4.47Å; Y328-Y651 HydrophobicContact CE2-CE2 4.48Å; Y328-Y651 AromaticContact CE2-CG 3.99Å; Y328-Y651 HydrophobicContact CE2-CG 3.99Å; L363-Y651 HydrophobicContact CD1-CD2 4.35Å; L363-Y651 HydrophobicContact CD1-CE2 4.38Å; V642-Y651 CarbonylContact C-O 3.55Å; V642-Y651 WeakPolarHBondContact CA-O 3.4Å; H643-Y651 PolarHBondContact N-O 2.66Å; H643-Y651 PolarHBondContact O-N 2.82Å; T645-Y651 HydrophobicContact CG2-CD1 3.98Å; T645-Y651 HydrophobicContact CG2-CD2 4.02Å; T645-Y651 HydrophobicContact CG2-CE1 3.79Å; T645-Y651 HydrophobicContact CG2-CE2 3.83Å; T645-Y651 HydrophobicContact CG2-CG 4.1Å; L649-Y651 HydrophobicContact CB-CE1 4.32Å; Y651-F653 HydrophobicContact CD2-CZ 4.33Å
652	C	97	Very high	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.9	177.9	-61.8	0	0	0	0	109.2	I325 Y326 F327 Y328 V599 V639 Q641	I325-C652 HydrophobicContact CG2-CB 4.46Å; Y326-C652 PolarHBondContact O-N 3.14Å; F327-C652 CarbonylContact C-O 3.51Å; F327-C652 WeakPolarHBondContact CA-O 3.18Å; F327-C652 HydrophobicContact CD2-CB 3.49Å; F327-C652 VanDerWaalsContact CD2-CB 3.49Å; F327-C652 HydrophobicContact CE2-CB 4.04Å; F327-C652 HydrophobicContact CG-CB 4.44Å; Y328-C652 PolarHBondContact N-O 2.95Å; V599-C652 HydrophobicContact CG2-CB 4.3Å; V639-C652 HydrophobicContact CG1-CB 4.24Å; Q641-C652 CarbonylContact O-C 3.56Å; Q641-C652 WeakPolarHBondContact O-CA 3.41Å
653	F	96.4	Very high	89.6	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.1	-177.9	-56	-93	0	0	0	110.6	Y328 F340 V342 L349 L363 Q640 Q641 Y651	Y328-F653 HydrophobicContact CD2-CD1 4.24Å; Y328-F653 AromaticContact CD2-CE1 3.63Å; Y328-F653 HydrophobicContact CD2-CE1 3.63Å; Y328-F653 AromaticContact CD2-CZ 3.92Å; Y328-F653 HydrophobicContact CD2-CZ 3.92Å; Y328-F653 HydrophobicContact CE2-CE1 4.44Å; Y328-F653 HydrophobicContact CE2-CZ 4.43Å; Y328-F653 HydrophobicContact CG-CD1 4.16Å; Y328-F653 AromaticContact CG-CE1 3.75Å; Y328-F653 HydrophobicContact CG-CE1 3.75Å; Y328-F653 HydrophobicContact CG-CZ 4.48Å; Y328-F653 WeakPolarHBondContact O-CA 3.29Å; F340-F653 HydrophobicContact CD1-CB 3.87Å; F340-F653 HydrophobicContact CD1-CG 4.41Å; F340-F653 HydrophobicContact CE1-CB 3.98Å; F340-F653 HydrophobicContact CG-CB 4.44Å; V342-F653 HydrophobicContact CG2-CD2 4.23Å; V342-F653 HydrophobicContact CG2-CE2 3.5Å; V342-F653 VanDerWaalsContact CG2-CE2 3.5Å; V342-F653 HydrophobicContact CG2-CZ 3.9Å; L349-F653 HydrophobicContact CD1-CD1 3.92Å; L349-F653 HydrophobicContact CD1-CD2 4.49Å; L349-F653 HydrophobicContact CD1-CE1 3.77Å; L349-F653 HydrophobicContact CD1-CE2 4.36Å; L349-F653 HydrophobicContact CD1-CG 4.3Å; L349-F653 HydrophobicContact CD1-CZ 4Å; L349-F653 HydrophobicContact CD2-CD1 3.82Å; L349-F653 HydrophobicContact CD2-CE1 3.7Å; L349-F653 HydrophobicContact CG-CE1 4.3Å; L363-F653 HydrophobicContact CD1-CZ 4.19Å; L363-F653 HydrophobicContact CD2-CE1 4.27Å; Q640-F653 PolarHBondContact N-O 3.21Å; Q641-F653 HydrophobicContact CB-CB 4.3Å; Q641-F653 HydrophobicContact CB-CD2 4.31Å; Q641-F653 HydrophobicContact CG-CD2 4.34Å; Q641-F653 PolarHBondContact N-O 3.4Å; Q641-F653 PolarHBondContact O-N 2.76Å; Y651-F653 HydrophobicContact CD2-CZ 4.33Å
654	G	94.9	Very high	89.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	163.6	173.4	0	0	0	0	0	112.4	Y328 S329 I330 P638	Y328-G654 PolarHBondContact O-N 3.29Å; Y328-G654 VanDerWaalsContact O-N 3.16Å; S329-G654 WeakPolarHBondContact CA-O 3.46Å; I330-G654 PolarHBondContact N-O 3.07Å; P638-G654 WeakPolarHBondContact O-CA 3.48Å
655	V	91.3	Very high	88.7	Confident	20 Å²	20	50.6 Å²	50.6	12%	0.121	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.6	177.7	177.7	0	0	0	0	110.2	I330 P333 A337 F340 I637 S657	I330-V655 HydrophobicContact CB-CG2 4.33Å; I330-V655 HydrophobicContact CD1-CG2 4.28Å; P333-V655 HydrophobicContact CG-CG1 3.54Å; A337-V655 HydrophobicContact CB-CG2 3.4Å; A337-V655 VanDerWaalsContact CB-CG2 3.4Å; F340-V655 HydrophobicContact CZ-CG2 4.09Å; I637-V655 WeakPolarHBondContact CG2-O 3.49Å; V655-S657 PolarHBondContact O-N 2.62Å
656	K	84.5	Confident	88.3	Confident	96 Å²	96	53.8 Å²	53.8	42%	0.417	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	105.9	168	-169.1	179.7	-178.9	-171.7	0	108.8	I330 I637	I330-K656 PolarHBondContact O-N 2.92Å; I637-K656 HydrophobicContact CD1-CB 3.86Å; I637-K656 HydrophobicContact CD1-CD 4.26Å; I637-K656 HydrophobicContact CD1-CG 4.15Å; I637-K656 HydrophobicContact CG1-CB 3.98Å; I637-K656 HydrophobicContact CG1-CG 4.06Å
657	S	72.9	Confident	88.1	Confident	96 Å²	96	56.9 Å²	56.9	67%	0.671	28%	0.277	S	S	*	.			trans	-66	151.3	166.9	65.6	0	0	0	0	110.1	V655	V655-S657 PolarHBondContact O-N 2.62Å
658	Q	61.7	Low	88.1	Confident	222 Å²	222	51.4 Å²	51.4	100%	1.037	26%	0.262	S	S	*	.			trans	-58	0	179.1	-75.9	-173.6	3.1	0	0	112.9	N332	N332-Q658 WeakPolarHBondContact OD1-CG 3.48Å

Retrieved 658 of 658 residues in 191.6 ms (Link to these results)

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