A0A077ZJL6_TRITR Loading...

Related to Sterol regulatory element binding prot ein cleavage-activating protein

AlphaFold DB , UniProt , Accession A0A077ZJL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 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	Very low	55.9	Low	197 Å²	197	117.6 Å²	117.6	97%	0.97	59%	0.594	S	S	*	*				0	-44.8	0	-152.1	173.2	173.7	0	0	113.1	L4	M1-L4 PolarHBondContact N-O 2.63Å
2	V	54.4	Low	57.3	Low	139 Å²	139	116 Å²	116	84%	0.842	59%	0.587	S	S	*	*			trans	-91.7	-30.4	176.1	179.9	0	0	0	0	113.3
3	I	53.8	Low	58.9	Low	55 Å²	55	112.2 Å²	112.2	28%	0.282	57%	0.568	S	S	.	*	S	Bend	trans	-100.9	-53.1	-174.1	-60.9	175.1	0	0	0	111.8	L78 A81 L82 R85	I3-L78 HydrophobicContact CD1-CD1 3.8Å; I3-A81 HydrophobicContact CG2-CB 4.36Å; I3-L82 HydrophobicContact CD1-CD2 3.82Å; I3-L82 HydrophobicContact CD1-CG 4.26Å; I3-R85 HydrophobicContact CG2-CB 3.62Å; I3-R85 HydrophobicContact CG2-CG 3.78Å
4	L	49.3	Very low	60.4	Low	54 Å²	54	106.2 Å²	106.2	28%	0.283	54%	0.537	S	S	.	.	S	Bend	trans	-98.1	126	170.9	-66.9	164.7	0	0	0	108.7	M1 E6 I11 A81 L84	M1-L4 PolarHBondContact N-O 2.63Å; L4-E6 PolarHBondContact O-N 2.63Å; L4-I11 HydrophobicContact CD1-CD1 4.31Å; L4-A81 HydrophobicContact CD1-CB 3.65Å; L4-A81 HydrophobicContact CG-CB 4.19Å; L4-L84 HydrophobicContact CD1-CD1 4.47Å; L4-L84 HydrophobicContact CD2-CB 4.4Å
5	R	47.7	Very low	61.7	Low	254 Å²	254	106.5 Å²	106.5	96%	0.958	54%	0.539	S	S	*	.	S	Bend	trans	-74.1	-6.1	-174.2	-116.6	-179	-178.2	179.9	0.1	113.6
6	E	50.4	Low	63.1	Low	147 Å²	147	105.6 Å²	105.6	69%	0.687	54%	0.54	S	S	*	.	S	Bend	trans	-124.9	141.7	177.5	-62.8	-171.7	177.3	0	0	110.2	L4	L4-E6 PolarHBondContact O-N 2.63Å
7	V	54.7	Low	64	Low	86 Å²	86	101 Å²	101	52%	0.521	52%	0.519	S	S	.	.			trans	-99.2	99.6	179	-176.9	0	0	0	0	107.5	I12	V7-I12 HydrophobicContact CG1-CD1 3.62Å; V7-I12 HydrophobicContact CG1-CG1 3.65Å
8	N	62.8	Low	65	Low	94 Å²	94	96.7 Å²	96.7	50%	0.503	50%	0.504	S	S	.	.			trans	-81.1	142.5	174.9	-70	-14.7	0	0	0	109.9	P10 I11	N8-P10 VanDerWaalsContact C-N 3.27Å; N8-I11 WeakPolarHBondContact O-CB 3.47Å; N8-I11 PolarHBondContact O-N 3.19Å
9	L	67.4	Low	66.2	Low	125 Å²	125	98.5 Å²	98.5	65%	0.654	51%	0.513	S	S	*	.	H	α-helix	trans	-49.1	-38.8	179.4	-176.3	62.7	0	0	0	113.9	I11 I12 L13	L9-I11 VanDerWaalsContact C-N 3.28Å; L9-I11 PolarHBondContact O-N 2.76Å; L9-I12 PolarHBondContact O-N 2.65Å; L9-L13 HydrophobicContact CD1-CD1 3.8Å; L9-L13 HydrophobicContact CD2-CD1 4.32Å; L9-L13 HydrophobicContact CG-CD1 3.59Å; L9-L13 WeakPolarHBondContact O-CB 3.15Å; L9-L13 WeakPolarHBondContact O-CD1 2.98Å; L9-L13 PolarHBondContact O-N 3.25Å
10	P	65.1	Low	67.2	Low	74 Å²	74	96.3 Å²	96.3	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-57.4	-35.3	174.3	-25.8	35.8	0	0	0	114.2	N8 L13 Q14	N8-P10 VanDerWaalsContact C-N 3.27Å; P10-L13 PolarHBondContact O-N 2.79Å; P10-Q14 WeakPolarHBondContact O-CG 3.47Å; P10-Q14 PolarHBondContact O-N 3.33Å
11	I	66.3	Low	68	Low	69 Å²	69	96 Å²	96	35%	0.354	51%	0.505	S	S	.	.	H	α-helix	trans	-69.2	-40.5	-178.8	-59.4	175.1	0	0	0	110.8	L4 N8 L9 L13 Q14	L4-I11 HydrophobicContact CD1-CD1 4.31Å; N8-I11 WeakPolarHBondContact O-CB 3.47Å; N8-I11 PolarHBondContact O-N 3.19Å; L9-I11 VanDerWaalsContact C-N 3.28Å; L9-I11 PolarHBondContact O-N 2.76Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-Q14 WeakPolarHBondContact O-CB 3.43Å; I11-Q14 WeakPolarHBondContact O-CG 3.33Å; I11-Q14 PolarHBondContact O-N 3Å
12	I	73	Confident	70	Confident	98 Å²	98	88 Å²	88	50%	0.503	47%	0.473	S	S	.	.	H	α-helix	trans	-68.1	-39.4	175.2	-63.3	177	0	0	0	109.9	V7 L9 Q14 I15	V7-I12 HydrophobicContact CG1-CD1 3.62Å; V7-I12 HydrophobicContact CG1-CG1 3.65Å; L9-I12 PolarHBondContact O-N 2.65Å; I12-Q14 PolarHBondContact O-N 3.19Å; I12-I15 PolarHBondContact O-N 2.9Å
13	L	77.6	Confident	71.7	Confident	66 Å²	66	83 Å²	83	35%	0.346	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-19.2	179	-101.9	125.4	0	0	0	113.4	L9 P10 I11 I15 V16 P17 I71	L9-L13 HydrophobicContact CD1-CD1 3.8Å; L9-L13 HydrophobicContact CD2-CD1 4.32Å; L9-L13 HydrophobicContact CG-CD1 3.59Å; L9-L13 WeakPolarHBondContact O-CB 3.15Å; L9-L13 WeakPolarHBondContact O-CD1 2.98Å; L9-L13 PolarHBondContact O-N 3.25Å; P10-L13 PolarHBondContact O-N 2.79Å; I11-L13 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 3.42Å; L13-I15 VanDerWaalsContact O-N 3.11Å; L13-V16 WeakPolarHBondContact O-CB 3.29Å; L13-V16 PolarHBondContact O-N 3.34Å; L13-P17 WeakPolarHBondContact O-CD 3.23Å; L13-I71 HydrophobicContact CB-CD1 3.88Å; L13-I71 HydrophobicContact CB-CG1 4.47Å; L13-I71 HydrophobicContact CB-CG2 4.36Å; L13-I71 HydrophobicContact CD2-CD1 3.69Å; L13-I71 HydrophobicContact CG-CD1 4.32Å
14	Q	79.6	Confident	73.4	Confident	29 Å²	29	84.7 Å²	84.7	14%	0.136	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23	175.2	-58.9	-174.7	-24.4	0	0	113.9	P10 I11 I12 V16 P17 G18 I71 L72 P74	P10-Q14 WeakPolarHBondContact O-CG 3.47Å; P10-Q14 PolarHBondContact O-N 3.33Å; I11-Q14 WeakPolarHBondContact O-CB 3.43Å; I11-Q14 WeakPolarHBondContact O-CG 3.33Å; I11-Q14 PolarHBondContact O-N 3Å; I12-Q14 PolarHBondContact O-N 3.19Å; Q14-V16 VanDerWaalsContact C-N 3.26Å; Q14-V16 PolarHBondContact O-N 3.4Å; Q14-P17 WeakPolarHBondContact O-CD 3.31Å; Q14-G18 PolarHBondContact O-N 2.89Å; Q14-G18 VanDerWaalsContact O-N 3.09Å; Q14-I71 HydrophobicContact CB-CG2 4.38Å; Q14-I71 HydrophobicContact CG-CG2 3.83Å; Q14-L72 WeakPolarHBondContact CG-O 3.44Å; Q14-L72 PolarHBondContact NE2-O 3.03Å; Q14-P74 HydrophobicContact CB-CG 4.28Å
15	I	81.2	Confident	75.3	Confident	110 Å²	110	86.9 Å²	86.9	56%	0.564	47%	0.47	S	S	*	.	H	α-helix	trans	-63.1	-36.3	175.8	-62.3	174.3	0	0	0	110.9	I12 L13 G18 L19	I12-I15 PolarHBondContact O-N 2.9Å; L13-I15 PolarHBondContact O-N 3.42Å; L13-I15 VanDerWaalsContact O-N 3.11Å; I15-G18 PolarHBondContact O-N 3.22Å; I15-L19 HydrophobicContact CG2-CD1 4.05Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CG 3.08Å; I15-L19 PolarHBondContact O-N 3.39Å
16	V	83.3	Confident	77.3	Confident	93 Å²	93	80.2 Å²	80.2	56%	0.564	45%	0.453	S	S	*	.	H	α-helix	trans	-66.3	-56.8	-176.8	-179.8	0	0	0	0	112.4	L13 Q14 G18 L19 A20	L13-V16 WeakPolarHBondContact O-CB 3.29Å; L13-V16 PolarHBondContact O-N 3.34Å; Q14-V16 VanDerWaalsContact C-N 3.26Å; Q14-V16 PolarHBondContact O-N 3.4Å; V16-G18 VanDerWaalsContact C-N 3.26Å; V16-G18 PolarHBondContact O-N 3.25Å; V16-L19 PolarHBondContact O-N 2.82Å; V16-A20 PolarHBondContact O-N 2.93Å; V16-A20 VanDerWaalsContact O-N 3.11Å
17	P	79.3	Confident	79.3	Confident	27 Å²	27	77.2 Å²	77.2	18%	0.175	45%	0.445	C	S	.	.	H	α-helix	trans	-63.1	-34.7	174.5	24.8	-29.2	0	0	0	111	L13 Q14 L19 A20 F21 I71	L13-P17 WeakPolarHBondContact O-CD 3.23Å; Q14-P17 WeakPolarHBondContact O-CD 3.31Å; P17-L19 PolarHBondContact O-N 2.76Å; P17-A20 PolarHBondContact O-N 3.38Å; P17-F21 HydrophobicContact CB-CD2 4.49Å; P17-F21 WeakPolarHBondContact O-CB 3.49Å; P17-F21 WeakPolarHBondContact O-CD2 3.47Å; P17-F21 PolarHBondContact O-N 3.34Å; P17-I71 HydrophobicContact CG-CB 4.49Å; P17-I71 HydrophobicContact CG-CG2 4.03Å
18	G	81.6	Confident	81	Confident	24 Å²	24	78.5 Å²	78.5	25%	0.247	44%	0.444	C	S	.	.	H	α-helix	trans	-57.9	-43.7	175.5	0	0	0	0	0	113.7	Q14 I15 V16 G22	Q14-G18 PolarHBondContact O-N 2.89Å; Q14-G18 VanDerWaalsContact O-N 3.09Å; I15-G18 PolarHBondContact O-N 3.22Å; V16-G18 VanDerWaalsContact C-N 3.26Å; V16-G18 PolarHBondContact O-N 3.25Å; G18-G22 PolarHBondContact O-N 3.21Å
19	L	86.9	Confident	82.1	Confident	130 Å²	130	78 Å²	78	68%	0.681	44%	0.444	S	S	*	.	H	α-helix	trans	-68.3	-39.6	175	-73.3	172.6	0	0	0	112.3	I15 V16 P17 G22 G23	I15-L19 HydrophobicContact CG2-CD1 4.05Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CG 3.08Å; I15-L19 PolarHBondContact O-N 3.39Å; V16-L19 PolarHBondContact O-N 2.82Å; P17-L19 PolarHBondContact O-N 2.76Å; L19-G22 PolarHBondContact O-N 3.17Å; L19-G23 PolarHBondContact O-N 3.31Å
20	A	86.1	Confident	83.2	Confident	55 Å²	55	76.5 Å²	76.5	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-46.4	177.6	0	0	0	0	0	111.6	V16 P17 G23 L24	V16-A20 PolarHBondContact O-N 2.93Å; V16-A20 VanDerWaalsContact O-N 3.11Å; P17-A20 PolarHBondContact O-N 3.38Å; A20-G23 PolarHBondContact O-N 2.84Å; A20-L24 WeakPolarHBondContact O-CG 3.24Å; A20-L24 PolarHBondContact O-N 2.91Å
21	F	83.7	Confident	84.4	Confident	89 Å²	89	76.1 Å²	76.1	39%	0.39	43%	0.433	S	S	.	.	H	α-helix	trans	-62.8	-43.5	175.6	-94.4	-77.7	0	0	0	111.8	P17 G23 L24 I25 M73	P17-F21 HydrophobicContact CB-CD2 4.49Å; P17-F21 WeakPolarHBondContact O-CB 3.49Å; P17-F21 WeakPolarHBondContact O-CD2 3.47Å; P17-F21 PolarHBondContact O-N 3.34Å; F21-G23 PolarHBondContact O-N 3.31Å; F21-L24 PolarHBondContact O-N 2.76Å; F21-I25 VanDerWaalsContact O-CG1 3.29Å; F21-I25 WeakPolarHBondContact O-CG1 3.41Å; F21-I25 PolarHBondContact O-N 2.81Å; F21-M73 HydrophobicContact CB-SD 4.09Å; F21-M73 HydrophobicContact CD2-CG 4.41Å; F21-M73 HydrophobicContact CD2-SD 3.87Å; F21-M73 HydrophobicContact CG-SD 4.1Å
22	G	85.8	Confident	85.3	Confident	29 Å²	29	76.9 Å²	76.9	30%	0.299	43%	0.434	S	S	.	.	H	α-helix	trans	-56.5	-49.3	175	0	0	0	0	0	112.2	G18 L19 L24 I25 D26	G18-G22 PolarHBondContact O-N 3.21Å; L19-G22 PolarHBondContact O-N 3.17Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-L24 PolarHBondContact O-N 3.04Å; G22-I25 PolarHBondContact O-N 3.11Å; G22-D26 PolarHBondContact O-N 3.14Å; G22-D26 VanDerWaalsContact O-N 3.11Å
23	G	90.3	Very high	85.9	Confident	36 Å²	36	75.9 Å²	75.9	37%	0.371	43%	0.432	S	S	.	.	H	α-helix	trans	-63	-37.8	176.8	0	0	0	0	0	113.4	L19 A20 F21 D26 V27	L19-G23 PolarHBondContact O-N 3.31Å; A20-G23 PolarHBondContact O-N 2.84Å; F21-G23 PolarHBondContact O-N 3.31Å; G23-D26 PolarHBondContact O-N 3.24Å; G23-V27 WeakPolarHBondContact O-CG2 3.26Å; G23-V27 PolarHBondContact O-N 3.49Å
24	L	90.1	Very high	86.3	Confident	90 Å²	90	78.3 Å²	78.3	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-42.6	174.9	-77.8	168.8	0	0	0	111.8	A20 F21 G22 D26 V27 F28	A20-L24 WeakPolarHBondContact O-CG 3.24Å; A20-L24 PolarHBondContact O-N 2.91Å; F21-L24 PolarHBondContact O-N 2.76Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-L24 PolarHBondContact O-N 3.04Å; L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 2.83Å; L24-V27 PolarHBondContact O-N 2.96Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.27Å
25	I	87.7	Confident	86.6	Confident	99 Å²	99	82.4 Å²	82.4	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-57.6	-48	176.3	-70.1	164.3	0	0	0	110.1	F21 G22 V27 F28 V29	F21-I25 VanDerWaalsContact O-CG1 3.29Å; F21-I25 WeakPolarHBondContact O-CG1 3.41Å; F21-I25 PolarHBondContact O-N 2.81Å; G22-I25 PolarHBondContact O-N 3.11Å; I25-V27 VanDerWaalsContact C-N 3.33Å; I25-V27 PolarHBondContact O-N 3.31Å; I25-F28 PolarHBondContact O-N 3.39Å; I25-V29 HydrophobicContact CG2-CG2 4.32Å; I25-V29 WeakPolarHBondContact O-CG2 3.39Å; I25-V29 PolarHBondContact O-N 3.09Å
26	D	90.6	Very high	86.5	Confident	114 Å²	114	78.1 Å²	78.1	61%	0.61	45%	0.45	S	S	*	.	H	α-helix	trans	-60.4	-43.2	178.9	-69.8	-27.8	0	0	0	111.8	G22 G23 L24 V29 D30	G22-D26 PolarHBondContact O-N 3.14Å; G22-D26 VanDerWaalsContact O-N 3.11Å; G23-D26 PolarHBondContact O-N 3.24Å; L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 2.83Å; D26-V29 PolarHBondContact O-N 3.44Å; D26-D30 WeakPolarHBondContact O-CB 3.47Å; D26-D30 PolarHBondContact O-N 2.94Å
27	V	93.3	Very high	86.1	Confident	85 Å²	85	75.4 Å²	75.4	52%	0.515	43%	0.433	S	S	.	.	H	α-helix	trans	-60.9	-45.7	175.3	169.4	0	0	0	0	111.1	G23 L24 I25 D30 V31	G23-V27 WeakPolarHBondContact O-CG2 3.26Å; G23-V27 PolarHBondContact O-N 3.49Å; L24-V27 PolarHBondContact O-N 2.96Å; I25-V27 VanDerWaalsContact C-N 3.33Å; I25-V27 PolarHBondContact O-N 3.31Å; V27-D30 PolarHBondContact O-N 3.4Å; V27-V31 HydrophobicContact CG1-CG2 4.27Å; V27-V31 WeakPolarHBondContact O-CB 3.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.24Å; V27-V31 PolarHBondContact O-N 3.13Å
28	F	89.5	Confident	85.7	Confident	112 Å²	112	78.2 Å²	78.2	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-40.1	178.6	-84.1	-70.5	0	0	0	112	L24 I25 V31 F32	L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.27Å; I25-F28 PolarHBondContact O-N 3.39Å; F28-V31 PolarHBondContact O-N 3.44Å; F28-F32 HydrophobicContact CB-CD2 4.31Å; F28-F32 HydrophobicContact CB-CE2 4.19Å; F28-F32 AromaticContact CD1-CE2 3.89Å; F28-F32 HydrophobicContact CD1-CE2 3.89Å; F28-F32 HydrophobicContact CD1-CZ 4.28Å; F28-F32 HydrophobicContact CG-CE2 4.46Å; F28-F32 WeakPolarHBondContact O-CB 3.46Å; F28-F32 WeakPolarHBondContact O-CD2 3.48Å; F28-F32 WeakPolarHBondContact O-CG 3.36Å; F28-F32 PolarHBondContact O-N 2.94Å
29	V	86.4	Confident	85.1	Confident	85 Å²	85	83 Å²	83	52%	0.515	48%	0.475	S	S	.	.	H	α-helix	trans	-60.1	-46.7	174.9	169.5	0	0	0	0	110.6	I25 D26 T33	I25-V29 HydrophobicContact CG2-CG2 4.32Å; I25-V29 WeakPolarHBondContact O-CG2 3.39Å; I25-V29 PolarHBondContact O-N 3.09Å; D26-V29 PolarHBondContact O-N 3.44Å; V29-T33 VanDerWaalsContact O-CB 3.28Å; V29-T33 WeakPolarHBondContact O-CB 3.1Å; V29-T33 PolarHBondContact O-N 2.73Å; V29-T33 PolarHBondContact O-OG1 3.02Å
30	D	89	Confident	84.1	Confident	93 Å²	93	83.5 Å²	83.5	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-46.5	178.1	-173.7	56.1	0	0	0	111.6	D26 V27 F32 T33 N34	D26-D30 WeakPolarHBondContact O-CB 3.47Å; D26-D30 PolarHBondContact O-N 2.94Å; V27-D30 PolarHBondContact O-N 3.4Å; D30-F32 PolarHBondContact O-N 3.16Å; D30-T33 PolarHBondContact O-N 3.28Å; D30-N34 VanDerWaalsContact O-CB 3.29Å; D30-N34 WeakPolarHBondContact O-CB 3.35Å; D30-N34 VanDerWaalsContact O-CG 3.24Å; D30-N34 PolarHBondContact O-N 3.34Å; D30-N34 PolarHBondContact O-ND2 3.26Å; D30-N34 PolarHBondContact OD1-ND2 3.4Å; D30-N34 PolarHBondContact OD2-ND2 3.41Å
31	V	90.7	Very high	83.6	Confident	65 Å²	65	82.4 Å²	82.4	39%	0.394	46%	0.464	S	S	.	.	H	α-helix	trans	-57.8	-50.3	177	166.8	0	0	0	0	111.4	V27 F28 T33 N34 L35	V27-V31 HydrophobicContact CG1-CG2 4.27Å; V27-V31 WeakPolarHBondContact O-CB 3.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.24Å; V27-V31 PolarHBondContact O-N 3.13Å; F28-V31 PolarHBondContact O-N 3.44Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.7Å; V31-N34 PolarHBondContact O-N 2.63Å; V31-L35 HydrophobicContact CG1-CD1 3.68Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 WeakPolarHBondContact O-CD1 3.18Å; V31-L35 WeakPolarHBondContact O-CG 3.23Å; V31-L35 PolarHBondContact O-N 2.85Å
32	F	86.5	Confident	83	Confident	85 Å²	85	81.2 Å²	81.2	37%	0.373	48%	0.477	S	S	.	.	H	α-helix	trans	-67.9	-34.2	-179.2	-72.6	-52.1	0	0	0	112.9	F28 D30 L35 G36 L37	F28-F32 HydrophobicContact CB-CD2 4.31Å; F28-F32 HydrophobicContact CB-CE2 4.19Å; F28-F32 AromaticContact CD1-CE2 3.89Å; F28-F32 HydrophobicContact CD1-CE2 3.89Å; F28-F32 HydrophobicContact CD1-CZ 4.28Å; F28-F32 HydrophobicContact CG-CE2 4.46Å; F28-F32 WeakPolarHBondContact O-CB 3.46Å; F28-F32 WeakPolarHBondContact O-CD2 3.48Å; F28-F32 WeakPolarHBondContact O-CG 3.36Å; F28-F32 PolarHBondContact O-N 2.94Å; D30-F32 PolarHBondContact O-N 3.16Å; F32-L35 HydrophobicContact CD1-CD1 4.47Å; F32-G36 PolarHBondContact O-N 2.95Å; F32-L37 HydrophobicContact CD1-CD1 4.07Å; F32-L37 HydrophobicContact CD1-CD2 3.89Å; F32-L37 HydrophobicContact CE1-CD2 4.37Å; F32-L37 PolarHBondContact O-N 3.48Å
33	T	84.7	Confident	82.9	Confident	78 Å²	78	86 Å²	86	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-67.6	-44.9	175.4	-55.9	0	0	0	0	110.7	V29 D30 V31 L35 G36	V29-T33 VanDerWaalsContact O-CB 3.28Å; V29-T33 WeakPolarHBondContact O-CB 3.1Å; V29-T33 PolarHBondContact O-N 2.73Å; V29-T33 PolarHBondContact O-OG1 3.02Å; D30-T33 PolarHBondContact O-N 3.28Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.7Å; T33-L35 VanDerWaalsContact C-N 3.32Å; T33-L35 PolarHBondContact O-N 2.84Å; T33-G36 PolarHBondContact O-N 2.93Å
34	N	86	Confident	82.6	Confident	116 Å²	116	88.6 Å²	88.6	62%	0.62	49%	0.49	S	S	*	.	H	α-helix	trans	-69.5	-27.4	178.9	-71.2	-36.4	0	0	0	113.2	D30 V31 G36	D30-N34 VanDerWaalsContact O-CB 3.29Å; D30-N34 WeakPolarHBondContact O-CB 3.35Å; D30-N34 VanDerWaalsContact O-CG 3.24Å; D30-N34 PolarHBondContact O-N 3.34Å; D30-N34 PolarHBondContact O-ND2 3.26Å; D30-N34 PolarHBondContact OD1-ND2 3.4Å; D30-N34 PolarHBondContact OD2-ND2 3.41Å; V31-N34 PolarHBondContact O-N 2.63Å; N34-G36 PolarHBondContact O-N 3.15Å
35	L	85.3	Confident	82.3	Confident	116 Å²	116	90.6 Å²	90.6	61%	0.607	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.8	169.6	-80.2	159.2	0	0	0	113.2	V31 F32 T33 L37	V31-L35 HydrophobicContact CG1-CD1 3.68Å; V31-L35 WeakPolarHBondContact O-CB 3.35Å; V31-L35 WeakPolarHBondContact O-CD1 3.18Å; V31-L35 WeakPolarHBondContact O-CG 3.23Å; V31-L35 PolarHBondContact O-N 2.85Å; F32-L35 HydrophobicContact CD1-CD1 4.47Å; T33-L35 VanDerWaalsContact C-N 3.32Å; T33-L35 PolarHBondContact O-N 2.84Å; L35-L37 VanDerWaalsContact C-N 3.27Å; L35-L37 HydrophobicContact CB-CD1 3.53Å; L35-L37 HydrophobicContact CD1-CD1 4.32Å; L35-L37 PolarHBondContact O-N 3.11Å
36	G	78.8	Confident	82.1	Confident	19 Å²	19	89.9 Å²	89.9	20%	0.196	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	21.6	-179.7	0	0	0	0	0	113.7	F32 T33 N34 P38 T39 L40	F32-G36 PolarHBondContact O-N 2.95Å; T33-G36 PolarHBondContact O-N 2.93Å; N34-G36 PolarHBondContact O-N 3.15Å; G36-P38 VanDerWaalsContact C-CD 3.43Å; G36-P38 VanDerWaalsContact C-N 3.32Å; G36-T39 PolarHBondContact O-N 3.34Å; G36-T39 VanDerWaalsContact O-N 3.16Å; G36-T39 PolarHBondContact O-OG1 3.11Å; G36-L40 PolarHBondContact O-N 2.9Å
37	L	76.4	Confident	81.8	Confident	37 Å²	37	87.4 Å²	87.4	19%	0.194	48%	0.48	C	S	.	.	H	α-helix	trans	-55.7	-41.6	174.7	-92.9	83.2	0	0	0	112.9	F32 L35 T39 L40 M41 F50	F32-L37 HydrophobicContact CD1-CD1 4.07Å; F32-L37 HydrophobicContact CD1-CD2 3.89Å; F32-L37 HydrophobicContact CE1-CD2 4.37Å; F32-L37 PolarHBondContact O-N 3.48Å; L35-L37 VanDerWaalsContact C-N 3.27Å; L35-L37 HydrophobicContact CB-CD1 3.53Å; L35-L37 HydrophobicContact CD1-CD1 4.32Å; L35-L37 PolarHBondContact O-N 3.11Å; L37-T39 PolarHBondContact O-N 3.47Å; L37-L40 WeakPolarHBondContact O-CB 3.05Å; L37-L40 PolarHBondContact O-N 2.77Å; L37-L40 VanDerWaalsContact O-N 3.12Å; L37-M41 HydrophobicContact CD2-CE 4.34Å; L37-M41 PolarHBondContact O-N 3.12Å; L37-F50 HydrophobicContact CD2-CE1 4.11Å; L37-F50 HydrophobicContact CD2-CE2 3.94Å; L37-F50 HydrophobicContact CD2-CZ 3.49Å; L37-F50 VanDerWaalsContact CD2-CZ 3.49Å
38	P	70.3	Confident	81.4	Confident	85 Å²	85	85.2 Å²	85.2	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-61.7	-32.2	178.6	-24.2	34.3	0	0	0	113.4	G36	G36-P38 VanDerWaalsContact C-CD 3.43Å; G36-P38 VanDerWaalsContact C-N 3.32Å
39	T	68.4	Low	81.2	Confident	125 Å²	125	82.7 Å²	82.7	77%	0.767	47%	0.465	S	S	*	.	H	α-helix	trans	-83.4	-20.6	177.4	44.5	0	0	0	0	112.8	G36 L37	G36-T39 PolarHBondContact O-N 3.34Å; G36-T39 VanDerWaalsContact O-N 3.16Å; G36-T39 PolarHBondContact O-OG1 3.11Å; L37-T39 PolarHBondContact O-N 3.47Å
40	L	66.5	Low	81.2	Confident	140 Å²	140	82.7 Å²	82.7	73%	0.733	46%	0.458	S	S	*	.	H	α-helix	trans	-74.5	-35.2	174.1	-155	87	0	0	0	112	G36 L37 G42	G36-L40 PolarHBondContact O-N 2.9Å; L37-L40 WeakPolarHBondContact O-CB 3.05Å; L37-L40 PolarHBondContact O-N 2.77Å; L37-L40 VanDerWaalsContact O-N 3.12Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-G42 PolarHBondContact O-N 3.13Å; L40-G42 VanDerWaalsContact O-N 3.13Å
41	M	74.7	Confident	81	Confident	33 Å²	33	81.2 Å²	81.2	16%	0.163	45%	0.453	C	S	.	.			trans	-89.4	65.2	-176.6	-63.3	-174.8	-177.7	0	0	112.5	L37 H43 E46 Q47 F50	L37-M41 HydrophobicContact CD2-CE 4.34Å; L37-M41 PolarHBondContact O-N 3.12Å; M41-H43 VanDerWaalsContact C-N 3.26Å; M41-H43 PolarHBondContact O-N 2.96Å; M41-E46 WeakPolarHBondContact CA-OE2 3.28Å; M41-E46 HydrophobicContact CB-CB 4.26Å; M41-E46 HydrophobicContact CG-CB 4.27Å; M41-Q47 HydrophobicContact CB-CG 3.9Å; M41-Q47 PolarHBondContact O-NE2 3.4Å; M41-F50 HydrophobicContact CE-CB 3.64Å; M41-F50 HydrophobicContact CE-CD1 4.01Å; M41-F50 HydrophobicContact CE-CD2 3.23Å; M41-F50 HydrophobicContact CE-CE1 4.47Å; M41-F50 HydrophobicContact CE-CE2 3.78Å; M41-F50 HydrophobicContact CE-CG 3.35Å; M41-F50 HydrophobicContact CE-CZ 4.37Å; M41-F50 HydrophobicContact SD-CB 3.69Å; M41-F50 HydrophobicContact SD-CD1 4.3Å; M41-F50 HydrophobicContact SD-CD2 4.37Å; M41-F50 HydrophobicContact SD-CG 3.88Å
42	G	73.1	Confident	80.8	Confident	64 Å²	64	81.4 Å²	81.4	66%	0.66	45%	0.451	S	S	*	.			trans	-69	-23.2	-179.7	0	0	0	0	0	113.7	L40	L40-G42 VanDerWaalsContact C-N 3.34Å; L40-G42 PolarHBondContact O-N 3.13Å; L40-G42 VanDerWaalsContact O-N 3.13Å
43	H	82.4	Confident	80.9	Confident	130 Å²	130	82.3 Å²	82.3	60%	0.602	46%	0.459	S	S	*	.	S	Bend	trans	-99.9	136.8	-179.3	-65.4	-68.5	0	0	0	112.2	M41 L45 E46 Q47	M41-H43 VanDerWaalsContact C-N 3.26Å; M41-H43 PolarHBondContact O-N 2.96Å; H43-L45 PolarHBondContact O-N 2.57Å; H43-E46 HydrophobicContact CB-CG 4.14Å; H43-E46 IonicContact CD2-OE1 3.66Å; H43-E46 PolarHBondContact N-OE2 3.01Å; H43-E46 WeakPolarHBondContact O-CB 3.49Å; H43-E46 PolarHBondContact O-N 3.38Å; H43-Q47 PolarHBondContact O-N 3.38Å
44	Y	84.2	Confident	81	Confident	90 Å²	90	80.5 Å²	80.5	35%	0.353	46%	0.456	S	S	.	.	H	α-helix	trans	-55.4	-37.6	-179.1	179.6	-108.8	0	0	0	113.2	E46 Q47 L48 E121	Y44-E46 VanDerWaalsContact C-N 3.32Å; Y44-E46 PolarHBondContact O-N 3.1Å; Y44-Q47 WeakPolarHBondContact O-CB 3.44Å; Y44-Q47 PolarHBondContact O-N 3.1Å; Y44-L48 PolarHBondContact O-N 3.25Å; Y44-E121 PolarHBondContact OH-OE1 2.76Å; Y44-E121 PolarHBondContact OH-OE2 2.65Å
45	L	83	Confident	80.8	Confident	131 Å²	131	77.2 Å²	77.2	69%	0.686	44%	0.437	S	S	*	.	H	α-helix	trans	-64.7	-34	178.2	-70.4	176	0	0	0	113.1	H43 L48 A49	H43-L45 PolarHBondContact O-N 2.57Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-A49 WeakPolarHBondContact O-CB 3.36Å; L45-A49 PolarHBondContact O-N 2.62Å
46	E	84.6	Confident	80.8	Confident	84 Å²	84	76.1 Å²	76.1	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-68.7	-41.5	176.8	-63.2	166.8	174.3	0	0	110.3	M41 H43 Y44 L48 A49 F50	M41-E46 WeakPolarHBondContact CA-OE2 3.28Å; M41-E46 HydrophobicContact CB-CB 4.26Å; M41-E46 HydrophobicContact CG-CB 4.27Å; H43-E46 HydrophobicContact CB-CG 4.14Å; H43-E46 IonicContact CD2-OE1 3.66Å; H43-E46 PolarHBondContact N-OE2 3.01Å; H43-E46 WeakPolarHBondContact O-CB 3.49Å; H43-E46 PolarHBondContact O-N 3.38Å; Y44-E46 VanDerWaalsContact C-N 3.32Å; Y44-E46 PolarHBondContact O-N 3.1Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.92Å; E46-A49 PolarHBondContact O-N 2.88Å; E46-F50 WeakPolarHBondContact O-CB 3.13Å; E46-F50 PolarHBondContact O-N 3.03Å
47	Q	84.9	Confident	81.2	Confident	62 Å²	62	79.9 Å²	79.9	29%	0.29	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-41.2	174.9	-60.6	177.9	13.4	0	0	111.5	M41 H43 Y44 T51	M41-Q47 HydrophobicContact CB-CG 3.9Å; M41-Q47 PolarHBondContact O-NE2 3.4Å; H43-Q47 PolarHBondContact O-N 3.38Å; Y44-Q47 WeakPolarHBondContact O-CB 3.44Å; Y44-Q47 PolarHBondContact O-N 3.1Å; Q47-T51 WeakPolarHBondContact O-CB 3.45Å; Q47-T51 PolarHBondContact O-N 2.85Å; Q47-T51 PolarHBondContact O-OG1 2.83Å
48	L	84	Confident	81.5	Confident	40 Å²	40	83.7 Å²	83.7	21%	0.209	47%	0.474	C	S	.	.	H	α-helix	trans	-66.8	-46.2	176.9	-174.7	65.3	0	0	0	111.6	Y44 L45 E46 F50 T51 L52 I125	Y44-L48 PolarHBondContact O-N 3.25Å; L45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.92Å; L48-F50 VanDerWaalsContact C-N 3.31Å; L48-F50 PolarHBondContact O-N 3.28Å; L48-T51 WeakPolarHBondContact O-CB 3.13Å; L48-T51 PolarHBondContact O-N 3.29Å; L48-T51 VanDerWaalsContact O-N 3.15Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 2.78Å; L48-I125 HydrophobicContact CD1-CD1 3.78Å
49	A	86.1	Confident	81.8	Confident	58 Å²	58	83.1 Å²	83.1	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-60.3	-41.6	177.5	0	0	0	0	0	111.9	L45 E46 T51 L52 L53	L45-A49 WeakPolarHBondContact O-CB 3.36Å; L45-A49 PolarHBondContact O-N 2.62Å; E46-A49 PolarHBondContact O-N 2.88Å; A49-T51 VanDerWaalsContact C-N 3.33Å; A49-T51 PolarHBondContact O-N 3.09Å; A49-L52 PolarHBondContact O-N 3.41Å; A49-L53 PolarHBondContact O-N 3.14Å
50	F	86.1	Confident	82.3	Confident	86 Å²	86	81.6 Å²	81.6	38%	0.377	46%	0.459	S	S	.	.	H	α-helix	trans	-66.7	-36.2	176.5	-160.3	-104.8	0	0	0	112.3	L37 M41 E46 L48 L53 G54	L37-F50 HydrophobicContact CD2-CE1 4.11Å; L37-F50 HydrophobicContact CD2-CE2 3.94Å; L37-F50 HydrophobicContact CD2-CZ 3.49Å; L37-F50 VanDerWaalsContact CD2-CZ 3.49Å; M41-F50 HydrophobicContact CE-CB 3.64Å; M41-F50 HydrophobicContact CE-CD1 4.01Å; M41-F50 HydrophobicContact CE-CD2 3.23Å; M41-F50 HydrophobicContact CE-CE1 4.47Å; M41-F50 HydrophobicContact CE-CE2 3.78Å; M41-F50 HydrophobicContact CE-CG 3.35Å; M41-F50 HydrophobicContact CE-CZ 4.37Å; M41-F50 HydrophobicContact SD-CB 3.69Å; M41-F50 HydrophobicContact SD-CD1 4.3Å; M41-F50 HydrophobicContact SD-CD2 4.37Å; M41-F50 HydrophobicContact SD-CG 3.88Å; E46-F50 WeakPolarHBondContact O-CB 3.13Å; E46-F50 PolarHBondContact O-N 3.03Å; L48-F50 VanDerWaalsContact C-N 3.31Å; L48-F50 PolarHBondContact O-N 3.28Å; F50-L53 PolarHBondContact O-N 2.94Å; F50-G54 PolarHBondContact O-N 2.98Å
51	T	84.7	Confident	83	Confident	62 Å²	62	76.8 Å²	76.8	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-43.9	174.1	-58.6	0	0	0	0	111.3	Q47 L48 A49 G54 M55	Q47-T51 WeakPolarHBondContact O-CB 3.45Å; Q47-T51 PolarHBondContact O-N 2.85Å; Q47-T51 PolarHBondContact O-OG1 2.83Å; L48-T51 WeakPolarHBondContact O-CB 3.13Å; L48-T51 PolarHBondContact O-N 3.29Å; L48-T51 VanDerWaalsContact O-N 3.15Å; A49-T51 VanDerWaalsContact C-N 3.33Å; A49-T51 PolarHBondContact O-N 3.09Å; T51-G54 PolarHBondContact O-N 3.45Å; T51-M55 HydrophobicContact CG2-CE 3.73Å; T51-M55 WeakPolarHBondContact O-CG 3.31Å; T51-M55 PolarHBondContact O-N 3.19Å
52	L	85.1	Confident	82.8	Confident	69 Å²	69	77.3 Å²	77.3	36%	0.361	45%	0.448	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175.9	-68.7	173.1	0	0	0	112	L48 A49 G54 M55 V56 I125	L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 2.78Å; A49-L52 PolarHBondContact O-N 3.41Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 3.48Å; L52-M55 HydrophobicContact CD2-SD 4.24Å; L52-M55 WeakPolarHBondContact O-CB 3.29Å; L52-M55 PolarHBondContact O-N 2.84Å; L52-V56 PolarHBondContact O-N 3.44Å; L52-V56 VanDerWaalsContact O-N 3.15Å; L52-I125 HydrophobicContact CD2-CG2 3.89Å
53	L	88.7	Confident	82.7	Confident	104 Å²	104	79.2 Å²	79.2	55%	0.545	44%	0.438	S	S	.	.	H	α-helix	trans	-61.1	-43.6	174.2	-177	68.1	0	0	0	111.2	A49 F50 M55 V56 V57	A49-L53 PolarHBondContact O-N 3.14Å; F50-L53 PolarHBondContact O-N 2.94Å; L53-M55 VanDerWaalsContact C-N 3.28Å; L53-M55 PolarHBondContact O-N 3.46Å; L53-V56 PolarHBondContact O-N 2.91Å; L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 3.4Å
54	G	86.9	Confident	82.3	Confident	39 Å²	39	78.7 Å²	78.7	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-58.9	-38.3	174.9	0	0	0	0	0	112.6	F50 T51 L52 V57 L58	F50-G54 PolarHBondContact O-N 2.98Å; T51-G54 PolarHBondContact O-N 3.45Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 3.48Å; G54-V57 PolarHBondContact O-N 3.48Å; G54-L58 VanDerWaalsContact O-CB 3.26Å; G54-L58 WeakPolarHBondContact O-CB 3.37Å; G54-L58 PolarHBondContact O-N 3.01Å
55	M	83.1	Confident	81.7	Confident	47 Å²	47	75.6 Å²	75.6	23%	0.232	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-41.7	175	-71.5	171.7	-176	0	0	112.6	T51 L52 L53 L58 S59 G122 A126	T51-M55 HydrophobicContact CG2-CE 3.73Å; T51-M55 WeakPolarHBondContact O-CG 3.31Å; T51-M55 PolarHBondContact O-N 3.19Å; L52-M55 HydrophobicContact CD2-SD 4.24Å; L52-M55 WeakPolarHBondContact O-CB 3.29Å; L52-M55 PolarHBondContact O-N 2.84Å; L53-M55 VanDerWaalsContact C-N 3.28Å; L53-M55 PolarHBondContact O-N 3.46Å; M55-L58 PolarHBondContact O-N 2.97Å; M55-S59 WeakPolarHBondContact O-CB 3.12Å; M55-S59 PolarHBondContact O-N 2.86Å; M55-S59 PolarHBondContact O-OG 3.34Å; M55-G122 VanDerWaalsContact CE-CA 3.45Å; M55-G122 WeakPolarHBondContact CE-O 3.24Å; M55-A126 HydrophobicContact CE-CB 4.11Å; M55-A126 HydrophobicContact SD-CB 4.33Å
56	V	84.4	Confident	80.6	Confident	93 Å²	93	70.1 Å²	70.1	56%	0.564	40%	0.395	S	S	*	.	H	α-helix	trans	-64.5	-41.7	177.1	174.9	0	0	0	0	111.2	L52 L53 S59 L60	L52-V56 PolarHBondContact O-N 3.44Å; L52-V56 VanDerWaalsContact O-N 3.15Å; L53-V56 PolarHBondContact O-N 2.91Å; V56-S59 WeakPolarHBondContact CA-OG 2.86Å; V56-S59 PolarHBondContact O-N 2.92Å; V56-S59 PolarHBondContact O-OG 3.23Å; V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 PolarHBondContact O-N 2.93Å
57	V	87.8	Confident	79.3	Confident	98 Å²	98	67.6 Å²	67.6	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-42.6	176.5	176.1	0	0	0	0	110.7	L53 G54 L60 G61	L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 3.4Å; G54-V57 PolarHBondContact O-N 3.48Å; V57-L60 PolarHBondContact O-N 3.06Å; V57-G61 PolarHBondContact O-N 2.78Å
58	L	83.3	Confident	78.4	Confident	118 Å²	118	67.9 Å²	67.9	62%	0.618	39%	0.393	S	S	*	.	H	α-helix	trans	-62.7	-45.2	176.5	-178.4	66.6	0	0	0	111.3	G54 M55 L60 G61 V62	G54-L58 VanDerWaalsContact O-CB 3.26Å; G54-L58 WeakPolarHBondContact O-CB 3.37Å; G54-L58 PolarHBondContact O-N 3.01Å; M55-L58 PolarHBondContact O-N 2.97Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.06Å; L58-G61 PolarHBondContact O-N 2.91Å; L58-V62 HydrophobicContact CD1-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CG2 3.42Å; L58-V62 PolarHBondContact O-N 2.91Å
59	S	75.6	Confident	77	Confident	73 Å²	73	74.2 Å²	74.2	51%	0.51	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-39.9	179.5	66.8	0	0	0	0	111.6	M55 V56 G61 V62 F63	M55-S59 WeakPolarHBondContact O-CB 3.12Å; M55-S59 PolarHBondContact O-N 2.86Å; M55-S59 PolarHBondContact O-OG 3.34Å; V56-S59 WeakPolarHBondContact CA-OG 2.86Å; V56-S59 PolarHBondContact O-N 2.92Å; V56-S59 PolarHBondContact O-OG 3.23Å; S59-G61 VanDerWaalsContact C-N 3.34Å; S59-V62 PolarHBondContact O-N 3.1Å; S59-F63 VanDerWaalsContact O-CB 3.26Å; S59-F63 WeakPolarHBondContact O-CB 3.16Å; S59-F63 PolarHBondContact O-N 3.23Å
60	L	78.5	Confident	75.9	Confident	92 Å²	92	74.3 Å²	74.3	48%	0.482	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-39.4	173.7	-171.1	70.7	0	0	0	111.7	V56 V57 L58 F63 F64	V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 PolarHBondContact O-N 2.93Å; V57-L60 PolarHBondContact O-N 3.06Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.06Å; L60-F63 PolarHBondContact O-N 3.31Å; L60-F64 HydrophobicContact CD1-CE2 3.9Å; L60-F64 HydrophobicContact CD1-CZ 3.98Å; L60-F64 HydrophobicContact CD2-CE2 3.99Å; L60-F64 HydrophobicContact CG-CD2 4.11Å; L60-F64 HydrophobicContact CG-CE2 3.6Å; L60-F64 HydrophobicContact CG-CZ 4.22Å; L60-F64 VanDerWaalsContact O-CD2 3.26Å; L60-F64 WeakPolarHBondContact O-CD2 3.15Å; L60-F64 PolarHBondContact O-N 3.06Å
61	G	80.9	Confident	75	Confident	40 Å²	40	73.3 Å²	73.3	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-48.1	175.3	0	0	0	0	0	112.5	V57 L58 S59 F64 E65	V57-G61 PolarHBondContact O-N 2.78Å; L58-G61 PolarHBondContact O-N 2.91Å; S59-G61 VanDerWaalsContact C-N 3.34Å; G61-F64 PolarHBondContact O-N 3.48Å; G61-E65 WeakPolarHBondContact O-CB 2.96Å; G61-E65 PolarHBondContact O-N 2.79Å
62	V	72.4	Confident	74.2	Confident	44 Å²	44	71.7 Å²	71.7	27%	0.267	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-40.3	176.2	173.9	0	0	0	0	110.9	L58 S59 F64 E65 V66	L58-V62 HydrophobicContact CD1-CG2 4.47Å; L58-V62 WeakPolarHBondContact O-CG2 3.42Å; L58-V62 PolarHBondContact O-N 2.91Å; S59-V62 PolarHBondContact O-N 3.1Å; V62-F64 VanDerWaalsContact C-N 3.35Å; V62-F64 PolarHBondContact O-N 2.87Å; V62-E65 WeakPolarHBondContact O-CB 3.3Å; V62-E65 PolarHBondContact O-N 2.8Å; V62-V66 HydrophobicContact CG1-CG2 4.15Å; V62-V66 WeakPolarHBondContact O-CB 3.49Å; V62-V66 VanDerWaalsContact O-CG2 3.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.4Å; V62-V66 PolarHBondContact O-N 2.8Å
63	F	70.9	Confident	73.7	Confident	103 Å²	103	70.7 Å²	70.7	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-55.9	-49	174.4	174.4	-97.2	0	0	0	111.3	S59 L60 N67	S59-F63 VanDerWaalsContact O-CB 3.26Å; S59-F63 WeakPolarHBondContact O-CB 3.16Å; S59-F63 PolarHBondContact O-N 3.23Å; L60-F63 PolarHBondContact O-N 3.31Å; F63-N67 VanDerWaalsContact CE1-ND2 3.26Å; F63-N67 WeakPolarHBondContact CE1-ND2 3.32Å; F63-N67 WeakPolarHBondContact CE2-ND2 3.25Å; F63-N67 WeakPolarHBondContact CZ-ND2 3.3Å; F63-N67 WeakPolarHBondContact O-CB 3.38Å; F63-N67 PolarHBondContact O-N 2.98Å; F63-N67 PolarHBondContact O-ND2 3.44Å
64	F	73.5	Confident	73.2	Confident	119 Å²	119	68.8 Å²	68.8	52%	0.522	39%	0.386	S	S	.	.	H	α-helix	trans	-67.4	-37	175.7	-68.5	-43.1	0	0	0	113.1	L60 G61 V62 S68	L60-F64 HydrophobicContact CD1-CE2 3.9Å; L60-F64 HydrophobicContact CD1-CZ 3.98Å; L60-F64 HydrophobicContact CD2-CE2 3.99Å; L60-F64 HydrophobicContact CG-CD2 4.11Å; L60-F64 HydrophobicContact CG-CE2 3.6Å; L60-F64 HydrophobicContact CG-CZ 4.22Å; L60-F64 VanDerWaalsContact O-CD2 3.26Å; L60-F64 WeakPolarHBondContact O-CD2 3.15Å; L60-F64 PolarHBondContact O-N 3.06Å; G61-F64 PolarHBondContact O-N 3.48Å; V62-F64 VanDerWaalsContact C-N 3.35Å; V62-F64 PolarHBondContact O-N 2.87Å; F64-S68 WeakPolarHBondContact O-CB 3.45Å; F64-S68 PolarHBondContact O-N 2.83Å; F64-S68 PolarHBondContact O-OG 3.4Å
65	E	71.3	Confident	72.7	Confident	26 Å²	26	67.8 Å²	67.8	12%	0.121	38%	0.376	C	S	.	.	H	α-helix	trans	-58.7	-51.2	176.3	-175.2	-174.3	162.9	0	0	110.7	G61 V62 S68 M73	G61-E65 WeakPolarHBondContact O-CB 2.96Å; G61-E65 PolarHBondContact O-N 2.79Å; V62-E65 WeakPolarHBondContact O-CB 3.3Å; V62-E65 PolarHBondContact O-N 2.8Å; E65-S68 PolarHBondContact O-N 2.87Å; E65-S68 PolarHBondContact O-OG 2.91Å; E65-M73 WeakPolarHBondContact OE1-CB 3.43Å; E65-M73 WeakPolarHBondContact OE1-CG 3.13Å; E65-M73 PolarHBondContact OE1-N 2.86Å
66	V	59.8	Low	72.3	Confident	15 Å²	15	66.8 Å²	66.8	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-48.5	180	175.1	0	0	0	0	110.6	V62 S68 L72 T352 E355	V62-V66 HydrophobicContact CG1-CG2 4.15Å; V62-V66 WeakPolarHBondContact O-CB 3.49Å; V62-V66 VanDerWaalsContact O-CG2 3.32Å; V62-V66 WeakPolarHBondContact O-CG2 3.4Å; V62-V66 PolarHBondContact O-N 2.8Å; V66-S68 VanDerWaalsContact C-N 3.29Å; V66-S68 PolarHBondContact O-N 3.3Å; V66-L72 HydrophobicContact CG2-CD2 4.14Å; V66-T352 HydrophobicContact CG1-CG2 3.86Å; V66-T352 WeakPolarHBondContact O-CG2 2.96Å; V66-E355 WeakPolarHBondContact CG1-OE1 3.43Å; V66-E355 WeakPolarHBondContact CG1-OE2 3.42Å
67	N	57	Low	71.9	Confident	32 Å²	32	62.9 Å²	62.9	17%	0.171	35%	0.349	C	S	.	.	H	α-helix	trans	-72.3	-20.9	-177	-64.9	-9.4	0	0	0	113.6	F63 R69 E350	F63-N67 VanDerWaalsContact CE1-ND2 3.26Å; F63-N67 WeakPolarHBondContact CE1-ND2 3.32Å; F63-N67 WeakPolarHBondContact CE2-ND2 3.25Å; F63-N67 WeakPolarHBondContact CZ-ND2 3.3Å; F63-N67 WeakPolarHBondContact O-CB 3.38Å; F63-N67 PolarHBondContact O-N 2.98Å; F63-N67 PolarHBondContact O-ND2 3.44Å; N67-R69 PolarHBondContact O-N 3.45Å; N67-R69 VanDerWaalsContact O-N 3.08Å; N67-E350 HydrophobicContact CB-CB 3.97Å; N67-E350 WeakPolarHBondContact CB-OE2 3.29Å; N67-E350 WeakPolarHBondContact ND2-CB 3.47Å; N67-E350 PolarHBondContact ND2-OE2 3.27Å; N67-E350 PolarHBondContact OD1-O 3.11Å
68	S	65.3	Low	71.4	Confident	67 Å²	67	61.6 Å²	61.6	47%	0.469	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-1.2	-178.1	66.4	0	0	0	0	114.9	F64 E65 V66 S70	F64-S68 WeakPolarHBondContact O-CB 3.45Å; F64-S68 PolarHBondContact O-N 2.83Å; F64-S68 PolarHBondContact O-OG 3.4Å; E65-S68 PolarHBondContact O-N 2.87Å; E65-S68 PolarHBondContact O-OG 2.91Å; V66-S68 VanDerWaalsContact C-N 3.29Å; V66-S68 PolarHBondContact O-N 3.3Å; S68-S70 PolarHBondContact O-N 2.95Å; S68-S70 VanDerWaalsContact OG-CB 3.23Å; S68-S70 WeakPolarHBondContact OG-CB 3.33Å; S68-S70 PolarHBondContact OG-OG 3.45Å
69	R	56.2	Low	70.9	Confident	173 Å²	173	56 Å²	56	65%	0.653	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	24.8	-171.8	-57	-176.4	179	-160	-0.4	112.9	N67	N67-R69 PolarHBondContact O-N 3.45Å; N67-R69 VanDerWaalsContact O-N 3.08Å
70	S	62.5	Low	70.4	Confident	60 Å²	60	53.4 Å²	53.4	42%	0.42	29%	0.291	S	S	.	.			trans	-88.2	176.3	-177.4	74.7	0	0	0	0	111.4	S68 L72	S68-S70 PolarHBondContact O-N 2.95Å; S68-S70 VanDerWaalsContact OG-CB 3.23Å; S68-S70 WeakPolarHBondContact OG-CB 3.33Å; S68-S70 PolarHBondContact OG-OG 3.45Å; S70-L72 PolarHBondContact O-N 3.33Å; S70-L72 VanDerWaalsContact O-N 3.11Å
71	I	66.6	Low	70	Confident	66 Å²	66	49.7 Å²	49.7	34%	0.338	27%	0.273	S	S	.	.			trans	-70.7	110	179.3	-66.1	148.4	0	0	0	108.7	L13 Q14 P17	L13-I71 HydrophobicContact CB-CD1 3.88Å; L13-I71 HydrophobicContact CB-CG1 4.47Å; L13-I71 HydrophobicContact CB-CG2 4.36Å; L13-I71 HydrophobicContact CD2-CD1 3.69Å; L13-I71 HydrophobicContact CG-CD1 4.32Å; Q14-I71 HydrophobicContact CB-CG2 4.38Å; Q14-I71 HydrophobicContact CG-CG2 3.83Å; P17-I71 HydrophobicContact CG-CB 4.49Å; P17-I71 HydrophobicContact CG-CG2 4.03Å
72	L	68.8	Low	69.5	Low	28 Å²	28	49.8 Å²	49.8	15%	0.147	26%	0.264	C	S	.	.			trans	-61.7	144.2	179.4	-64.1	166.8	0	0	0	112.3	Q14 V66 S70 E76 V80	Q14-L72 WeakPolarHBondContact CG-O 3.44Å; Q14-L72 PolarHBondContact NE2-O 3.03Å; V66-L72 HydrophobicContact CG2-CD2 4.14Å; S70-L72 PolarHBondContact O-N 3.33Å; S70-L72 VanDerWaalsContact O-N 3.11Å; L72-E76 HydrophobicContact CB-CB 4.26Å; L72-V80 HydrophobicContact CD1-CG2 3.81Å
73	M	74.6	Confident	68.9	Low	48 Å²	48	47.9 Å²	47.9	24%	0.236	25%	0.252	C	S	.	.			trans	-54.4	153.4	169.9	-83.9	-85.3	-64.4	0	0	112.8	F21 E65 G75 E76 G77	F21-M73 HydrophobicContact CB-SD 4.09Å; F21-M73 HydrophobicContact CD2-CG 4.41Å; F21-M73 HydrophobicContact CD2-SD 3.87Å; F21-M73 HydrophobicContact CG-SD 4.1Å; E65-M73 WeakPolarHBondContact OE1-CB 3.43Å; E65-M73 WeakPolarHBondContact OE1-CG 3.13Å; E65-M73 PolarHBondContact OE1-N 2.86Å; M73-G75 PolarHBondContact O-N 3.05Å; M73-G75 VanDerWaalsContact O-N 3.16Å; M73-E76 WeakPolarHBondContact CB-OE2 3.48Å; M73-E76 PolarHBondContact O-N 2.77Å; M73-G77 PolarHBondContact O-N 3.37Å
74	P	77.5	Confident	68.4	Low	63 Å²	63	46.7 Å²	46.7	41%	0.409	25%	0.25	S	S	.	.	H	α-helix	trans	-58.9	-30.4	-176.1	-24.6	32.8	0	0	0	114.8	Q14 L78	Q14-P74 HydrophobicContact CB-CG 4.28Å; P74-L78 PolarHBondContact O-N 2.79Å; P74-L78 VanDerWaalsContact O-N 3.07Å
75	G	76.9	Confident	68.2	Low	19 Å²	19	48.8 Å²	48.8	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-49.3	177.6	0	0	0	0	0	111.6	M73 L78 V79	M73-G75 PolarHBondContact O-N 3.05Å; M73-G75 VanDerWaalsContact O-N 3.16Å; G75-L78 WeakPolarHBondContact O-CB 3.41Å; G75-L78 PolarHBondContact O-N 2.86Å; G75-V79 WeakPolarHBondContact O-CG2 3.26Å; G75-V79 PolarHBondContact O-N 2.91Å
76	E	74.6	Confident	68	Low	25 Å²	25	50.2 Å²	50.2	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-41	177.9	-70.1	58.7	-137.7	0	0	110	L72 M73 L78 V79 V80 K94	L72-E76 HydrophobicContact CB-CB 4.26Å; M73-E76 WeakPolarHBondContact CB-OE2 3.48Å; M73-E76 PolarHBondContact O-N 2.77Å; E76-L78 VanDerWaalsContact C-N 3.33Å; E76-L78 PolarHBondContact O-N 3.25Å; E76-V79 WeakPolarHBondContact O-CB 3.37Å; E76-V79 PolarHBondContact O-N 3.36Å; E76-V79 VanDerWaalsContact O-N 3.1Å; E76-V80 PolarHBondContact O-N 3.43Å; E76-K94 WeakPolarHBondContact OE1-CE 3.44Å; E76-K94 IonicContact OE1-NZ 2.76Å; E76-K94 PolarHBondContact OE1-NZ 3.42Å
77	G	75.1	Confident	67.8	Low	11 Å²	11	54 Å²	54	11%	0.113	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-36.5	173.9	0	0	0	0	0	113.9	M73 V79 A81	M73-G77 PolarHBondContact O-N 3.37Å; G77-V79 VanDerWaalsContact C-N 3.34Å; G77-A81 WeakPolarHBondContact O-CB 3.4Å; G77-A81 PolarHBondContact O-N 3.44Å
78	L	78.3	Confident	67.6	Low	71 Å²	71	57.9 Å²	57.9	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-41.6	173	174.2	63.1	0	0	0	111.1	I3 P74 G75 E76 A81 L82 T97	I3-L78 HydrophobicContact CD1-CD1 3.8Å; P74-L78 PolarHBondContact O-N 2.79Å; P74-L78 VanDerWaalsContact O-N 3.07Å; G75-L78 WeakPolarHBondContact O-CB 3.41Å; G75-L78 PolarHBondContact O-N 2.86Å; E76-L78 VanDerWaalsContact C-N 3.33Å; E76-L78 PolarHBondContact O-N 3.25Å; L78-A81 PolarHBondContact O-N 2.75Å; L78-L82 HydrophobicContact CD1-CD1 4.11Å; L78-L82 HydrophobicContact CD1-CG 4.12Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 HydrophobicContact CG-CG 4.43Å; L78-L82 WeakPolarHBondContact O-CB 3.26Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 2.93Å; L78-T97 HydrophobicContact CD2-CG2 3.81Å; L78-T97 HydrophobicContact CG-CG2 4.32Å
79	V	72.3	Confident	67.1	Low	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-46.9	178.8	-179.5	0	0	0	0	109.8	G75 E76 G77 A81 L82 T83 F90 L93 K94 T97	G75-V79 WeakPolarHBondContact O-CG2 3.26Å; G75-V79 PolarHBondContact O-N 2.91Å; E76-V79 WeakPolarHBondContact O-CB 3.37Å; E76-V79 PolarHBondContact O-N 3.36Å; E76-V79 VanDerWaalsContact O-N 3.1Å; G77-V79 VanDerWaalsContact C-N 3.34Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.09Å; V79-L82 PolarHBondContact O-N 3.44Å; V79-T83 WeakPolarHBondContact O-CB 3.45Å; V79-T83 PolarHBondContact O-N 3.35Å; V79-T83 PolarHBondContact O-OG1 2.87Å; V79-F90 HydrophobicContact CB-CD2 4.45Å; V79-F90 HydrophobicContact CB-CE2 3.85Å; V79-F90 HydrophobicContact CB-CZ 4.41Å; V79-F90 HydrophobicContact CG1-CD2 3.61Å; V79-F90 HydrophobicContact CG1-CE2 3.42Å; V79-F90 VanDerWaalsContact CG1-CE2 3.42Å; V79-F90 HydrophobicContact CG1-CG 4.33Å; V79-F90 HydrophobicContact CG1-CZ 4.02Å; V79-L93 HydrophobicContact CG1-CB 4.04Å; V79-K94 HydrophobicContact CB-CD 4.37Å; V79-K94 HydrophobicContact CG1-CB 3.88Å; V79-K94 HydrophobicContact CG1-CD 4.36Å; V79-K94 HydrophobicContact CG2-CB 4.45Å; V79-K94 HydrophobicContact CG2-CD 3.71Å; V79-T97 HydrophobicContact CG2-CG2 3.89Å
80	V	66.2	Low	67.4	Low	19 Å²	19	51.1 Å²	51.1	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-57.1	-44.7	173.9	176.6	0	0	0	0	110.5	L72 E76 L82 T83 L84 F90	L72-V80 HydrophobicContact CD1-CG2 3.81Å; E76-V80 PolarHBondContact O-N 3.43Å; V80-L82 PolarHBondContact O-N 3.21Å; V80-T83 WeakPolarHBondContact O-CB 3.12Å; V80-T83 PolarHBondContact O-N 3.08Å; V80-L84 HydrophobicContact CG1-CD1 3.97Å; V80-L84 HydrophobicContact CG1-CG 4.31Å; V80-L84 WeakPolarHBondContact O-CB 3.06Å; V80-L84 VanDerWaalsContact O-CG 3.28Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.23Å; V80-F90 HydrophobicContact CG2-CD2 4.2Å; V80-F90 HydrophobicContact CG2-CE2 3.61Å
81	A	70.2	Confident	67.2	Low	14 Å²	14	50.3 Å²	50.3	12%	0.116	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-41.3	179.3	0	0	0	0	0	113.4	I3 L4 G77 L78 V79 T83 R85	I3-A81 HydrophobicContact CG2-CB 4.36Å; L4-A81 HydrophobicContact CD1-CB 3.65Å; L4-A81 HydrophobicContact CG-CB 4.19Å; G77-A81 WeakPolarHBondContact O-CB 3.4Å; G77-A81 PolarHBondContact O-N 3.44Å; L78-A81 PolarHBondContact O-N 2.75Å; V79-A81 VanDerWaalsContact C-N 3.3Å; V79-A81 PolarHBondContact O-N 3.09Å; A81-T83 VanDerWaalsContact C-N 3.33Å; A81-R85 VanDerWaalsContact O-CB 3.25Å; A81-R85 WeakPolarHBondContact O-CB 3.47Å; A81-R85 PolarHBondContact O-N 2.84Å
82	L	68.7	Low	67	Low	43 Å²	43	52 Å²	52	23%	0.225	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-39.2	174.1	-76.8	170.5	0	0	0	111.2	I3 L78 V79 V80 R85 T86 L93	I3-L82 HydrophobicContact CD1-CD2 3.82Å; I3-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CD1-CD1 4.11Å; L78-L82 HydrophobicContact CD1-CG 4.12Å; L78-L82 HydrophobicContact CG-CD1 3.99Å; L78-L82 HydrophobicContact CG-CG 4.43Å; L78-L82 WeakPolarHBondContact O-CB 3.26Å; L78-L82 WeakPolarHBondContact O-CG 3.42Å; L78-L82 PolarHBondContact O-N 2.93Å; V79-L82 PolarHBondContact O-N 3.44Å; V80-L82 PolarHBondContact O-N 3.21Å; L82-R85 PolarHBondContact O-N 3.17Å; L82-T86 VanDerWaalsContact O-CB 3.3Å; L82-T86 WeakPolarHBondContact O-CB 3.32Å; L82-T86 WeakPolarHBondContact O-CG2 3.22Å; L82-T86 PolarHBondContact O-N 2.84Å; L82-T86 PolarHBondContact O-OG1 3Å; L82-L93 VanDerWaalsContact C-CD1 3.45Å; L82-L93 HydrophobicContact CB-CD1 3.9Å
83	T	60	Low	67	Low	3 Å²	3	51.3 Å²	51.3	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-57.3	176.9	-64.4	0	0	0	0	108.6	V79 V80 A81 R85 T86 K87 F90 L93 F358	V79-T83 WeakPolarHBondContact O-CB 3.45Å; V79-T83 PolarHBondContact O-N 3.35Å; V79-T83 PolarHBondContact O-OG1 2.87Å; V80-T83 WeakPolarHBondContact O-CB 3.12Å; V80-T83 PolarHBondContact O-N 3.08Å; A81-T83 VanDerWaalsContact C-N 3.33Å; T83-R85 VanDerWaalsContact C-N 3.29Å; T83-R85 PolarHBondContact O-N 3.29Å; T83-T86 PolarHBondContact O-N 3.1Å; T83-K87 PolarHBondContact O-N 2.72Å; T83-F90 HydrophobicContact CG2-CB 4.02Å; T83-F90 HydrophobicContact CG2-CD2 4.33Å; T83-L93 VanDerWaalsContact N-CD1 3.32Å; T83-L93 WeakPolarHBondContact OG1-CD1 3.21Å; T83-F358 HydrophobicContact CG2-CB 3.89Å; T83-F358 HydrophobicContact CG2-CD1 3.44Å; T83-F358 VanDerWaalsContact CG2-CD1 3.44Å; T83-F358 HydrophobicContact CG2-CD2 2.97Å; T83-F358 HydrophobicContact CG2-CE1 3.97Å; T83-F358 HydrophobicContact CG2-CE2 3.34Å; T83-F358 HydrophobicContact CG2-CG 3.02Å; T83-F358 HydrophobicContact CG2-CZ 3.93Å; T83-F358 WeakPolarHBondContact O-CE2 3.42Å
84	L	60	Low	66.9	Low	78 Å²	78	50.8 Å²	50.8	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-56.6	-37.1	175.2	-67.1	172.2	0	0	0	113.8	L4 V80	L4-L84 HydrophobicContact CD1-CD1 4.47Å; L4-L84 HydrophobicContact CD2-CB 4.4Å; V80-L84 HydrophobicContact CG1-CD1 3.97Å; V80-L84 HydrophobicContact CG1-CG 4.31Å; V80-L84 WeakPolarHBondContact O-CB 3.06Å; V80-L84 VanDerWaalsContact O-CG 3.28Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.23Å
85	R	71	Confident	66.6	Low	163 Å²	163	49.7 Å²	49.7	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-85.2	-28.8	-175.1	-165.1	-96.5	-152.4	-166.1	3.7	114.2	I3 A81 L82 T83	I3-R85 HydrophobicContact CG2-CB 3.62Å; I3-R85 HydrophobicContact CG2-CG 3.78Å; A81-R85 VanDerWaalsContact O-CB 3.25Å; A81-R85 WeakPolarHBondContact O-CB 3.47Å; A81-R85 PolarHBondContact O-N 2.84Å; L82-R85 PolarHBondContact O-N 3.17Å; T83-R85 VanDerWaalsContact C-N 3.29Å; T83-R85 PolarHBondContact O-N 3.29Å
86	T	67.1	Low	66.7	Low	56 Å²	56	53.8 Å²	53.8	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-108.5	-7.8	-174.3	66.4	0	0	0	0	113.9	L82 T83 K88 L93	L82-T86 VanDerWaalsContact O-CB 3.3Å; L82-T86 WeakPolarHBondContact O-CB 3.32Å; L82-T86 WeakPolarHBondContact O-CG2 3.22Å; L82-T86 PolarHBondContact O-N 2.84Å; L82-T86 PolarHBondContact O-OG1 3Å; T83-T86 PolarHBondContact O-N 3.1Å; T86-K88 PolarHBondContact O-N 3.18Å; T86-L93 VanDerWaalsContact OG1-CD1 3.26Å; T86-L93 WeakPolarHBondContact OG1-CD1 3.43Å
87	K	54	Low	67	Low	96 Å²	96	53 Å²	53	42%	0.417	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	29	-178	-61	-170.9	176.9	-178.7	0	113.2	T83 D315 F358	T83-K87 PolarHBondContact O-N 2.72Å; K87-D315 WeakPolarHBondContact CD-OD2 2.92Å; K87-D315 IonicContact NZ-OD1 3.39Å; K87-D315 PolarHBondContact NZ-OD1 3.28Å; K87-D315 IonicContact NZ-OD2 2.75Å; K87-D315 PolarHBondContact NZ-OD2 2.93Å; K87-F358 VanDerWaalsContact C-CE2 3.43Å
88	K	54.4	Low	67.2	Low	112 Å²	112	55 Å²	55	49%	0.487	27%	0.273	S	S	.	.			trans	-107.2	140.2	178	-71.7	-174.4	176.7	-175.4	0	112.9	T86 F90 L93 F358	T86-K88 PolarHBondContact O-N 3.18Å; K88-F90 PolarHBondContact O-N 2.8Å; K88-L93 HydrophobicContact CB-CD1 3.86Å; K88-L93 HydrophobicContact CB-CD2 4.02Å; K88-L93 HydrophobicContact CB-CG 3.78Å; K88-L93 HydrophobicContact CD-CD2 4.21Å; K88-L93 WeakPolarHBondContact O-CD1 3.35Å; K88-F358 VanDerWaalsContact C-CE1 3.44Å; K88-F358 VanDerWaalsContact N-CZ 3.26Å; K88-F358 WeakPolarHBondContact O-CE1 3.48Å; K88-F358 VanDerWaalsContact O-CE2 3.31Å; K88-F358 WeakPolarHBondContact O-CE2 3.12Å; K88-F358 WeakPolarHBondContact O-CZ 3.24Å
89	P	54.3	Low	67.3	Low	63 Å²	63	56.3 Å²	56.3	41%	0.409	28%	0.28	S	S	.	.			trans	-40.6	128.8	-176.7	-31.7	34.9	0	0	0	114.4	G91 K92 L93 F358	P89-G91 VanDerWaalsContact C-N 3.32Å; P89-G91 PolarHBondContact O-N 2.77Å; P89-K92 HydrophobicContact CB-CB 3.95Å; P89-K92 WeakPolarHBondContact O-CA 3.49Å; P89-K92 WeakPolarHBondContact O-CB 3.32Å; P89-K92 PolarHBondContact O-N 2.52Å; P89-L93 PolarHBondContact O-N 2.75Å; P89-F358 HydrophobicContact CB-CE1 4.49Å
90	F	62	Low	67.9	Low	36 Å²	36	60.1 Å²	60.1	16%	0.158	30%	0.304	C	S	.	.	H	α-helix	trans	-50.4	-51.9	-179.9	178	-96.3	0	0	0	111.3	V79 V80 T83 K88 K92 L93 K94 E355	V79-F90 HydrophobicContact CB-CD2 4.45Å; V79-F90 HydrophobicContact CB-CE2 3.85Å; V79-F90 HydrophobicContact CB-CZ 4.41Å; V79-F90 HydrophobicContact CG1-CD2 3.61Å; V79-F90 HydrophobicContact CG1-CE2 3.42Å; V79-F90 VanDerWaalsContact CG1-CE2 3.42Å; V79-F90 HydrophobicContact CG1-CG 4.33Å; V79-F90 HydrophobicContact CG1-CZ 4.02Å; V80-F90 HydrophobicContact CG2-CD2 4.2Å; V80-F90 HydrophobicContact CG2-CE2 3.61Å; T83-F90 HydrophobicContact CG2-CB 4.02Å; T83-F90 HydrophobicContact CG2-CD2 4.33Å; K88-F90 PolarHBondContact O-N 2.8Å; F90-K92 VanDerWaalsContact C-N 3.28Å; F90-K92 PolarHBondContact O-N 3.47Å; F90-L93 CarbonylContact O-C 3.41Å; F90-L93 PolarHBondContact O-N 3.16Å; F90-K94 HydrophobicContact CE1-CB 4.44Å; F90-K94 WeakPolarHBondContact O-CB 3.47Å; F90-K94 PolarHBondContact O-N 2.61Å; F90-E355 HydrophobicContact CB-CG 4.39Å; F90-E355 HydrophobicContact CD1-CG 4.26Å; F90-E355 HydrophobicContact CD2-CG 4.24Å; F90-E355 VanDerWaalsContact CE1-OE1 3.29Å; F90-E355 WeakPolarHBondContact CE1-OE1 3.49Å; F90-E355 HydrophobicContact CG-CG 4.04Å
91	G	57.7	Low	68.8	Low	43 Å²	43	64.4 Å²	64.4	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-38.6	178.7	0	0	0	0	0	113.3	P89 K94 M95	P89-G91 VanDerWaalsContact C-N 3.32Å; P89-G91 PolarHBondContact O-N 2.77Å; G91-K94 PolarHBondContact O-N 3.03Å; G91-M95 WeakPolarHBondContact O-CB 3.32Å; G91-M95 PolarHBondContact O-N 3.32Å
92	K	64.2	Low	69.4	Low	100 Å²	100	66 Å²	66	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-70.4	-40.4	178.2	-163.7	171.5	-171.3	162.4	0	111.8	P89 F90 Y96	P89-K92 HydrophobicContact CB-CB 3.95Å; P89-K92 WeakPolarHBondContact O-CA 3.49Å; P89-K92 WeakPolarHBondContact O-CB 3.32Å; P89-K92 PolarHBondContact O-N 2.52Å; F90-K92 VanDerWaalsContact C-N 3.28Å; F90-K92 PolarHBondContact O-N 3.47Å; K92-Y96 HydrophobicContact CD-CE2 4.27Å; K92-Y96 VanDerWaalsContact CE-OH 3.25Å; K92-Y96 WeakPolarHBondContact CE-OH 3.26Å; K92-Y96 HydrophobicContact CG-CD2 4.28Å; K92-Y96 HydrophobicContact CG-CE2 3.65Å; K92-Y96 WeakPolarHBondContact O-CD2 3.43Å; K92-Y96 PolarHBondContact O-N 2.92Å; K92-Y96 VanDerWaalsContact O-N 3.11Å
93	L	68.3	Low	70.1	Confident	15 Å²	15	66.4 Å²	66.4	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-71.8	-34.5	174.1	-73.5	-175.3	0	0	0	112.4	V79 L82 T83 T86 K88 P89 F90 Y96 T97	V79-L93 HydrophobicContact CG1-CB 4.04Å; L82-L93 VanDerWaalsContact C-CD1 3.45Å; L82-L93 HydrophobicContact CB-CD1 3.9Å; T83-L93 VanDerWaalsContact N-CD1 3.32Å; T83-L93 WeakPolarHBondContact OG1-CD1 3.21Å; T86-L93 VanDerWaalsContact OG1-CD1 3.26Å; T86-L93 WeakPolarHBondContact OG1-CD1 3.43Å; K88-L93 HydrophobicContact CB-CD1 3.86Å; K88-L93 HydrophobicContact CB-CD2 4.02Å; K88-L93 HydrophobicContact CB-CG 3.78Å; K88-L93 HydrophobicContact CD-CD2 4.21Å; K88-L93 WeakPolarHBondContact O-CD1 3.35Å; P89-L93 PolarHBondContact O-N 2.75Å; F90-L93 CarbonylContact O-C 3.41Å; F90-L93 PolarHBondContact O-N 3.16Å; L93-Y96 HydrophobicContact CD2-CD2 4.38Å; L93-Y96 PolarHBondContact O-N 3.16Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.45Å; L93-T97 PolarHBondContact O-N 2.88Å; L93-T97 PolarHBondContact O-OG1 2.95Å
94	K	72.4	Confident	71.5	Confident	37 Å²	37	70.4 Å²	70.4	16%	0.161	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-51.2	172.8	-176	61.7	166.2	84.8	0	109.6	E76 V79 F90 G91 Y96 T97 D98	E76-K94 WeakPolarHBondContact OE1-CE 3.44Å; E76-K94 IonicContact OE1-NZ 2.76Å; E76-K94 PolarHBondContact OE1-NZ 3.42Å; V79-K94 HydrophobicContact CB-CD 4.37Å; V79-K94 HydrophobicContact CG1-CB 3.88Å; V79-K94 HydrophobicContact CG1-CD 4.36Å; V79-K94 HydrophobicContact CG2-CB 4.45Å; V79-K94 HydrophobicContact CG2-CD 3.71Å; F90-K94 HydrophobicContact CE1-CB 4.44Å; F90-K94 WeakPolarHBondContact O-CB 3.47Å; F90-K94 PolarHBondContact O-N 2.61Å; G91-K94 PolarHBondContact O-N 3.03Å; K94-Y96 PolarHBondContact O-N 3.28Å; K94-T97 PolarHBondContact O-N 3.41Å; K94-T97 VanDerWaalsContact O-N 3.15Å; K94-D98 IonicContact NZ-OD1 3.45Å; K94-D98 PolarHBondContact NZ-OD1 2.79Å; K94-D98 IonicContact NZ-OD2 2.73Å; K94-D98 PolarHBondContact NZ-OD2 2.97Å; K94-D98 WeakPolarHBondContact O-CB 3.31Å; K94-D98 PolarHBondContact O-N 3.18Å
95	M	70.4	Confident	72.6	Confident	39 Å²	39	68.8 Å²	68.8	19%	0.192	36%	0.364	C	S	.	.	H	α-helix	trans	-55.1	-50.1	176.5	-177.3	-137.1	-66.7	0	0	111.8	G91 T97 L99 V131	G91-M95 WeakPolarHBondContact O-CB 3.32Å; G91-M95 PolarHBondContact O-N 3.32Å; M95-T97 VanDerWaalsContact C-N 3.34Å; M95-T97 PolarHBondContact O-N 2.78Å; M95-L99 VanDerWaalsContact O-CB 3.3Å; M95-L99 WeakPolarHBondContact O-CB 3.31Å; M95-L99 PolarHBondContact O-N 2.9Å; M95-V131 HydrophobicContact CE-CG2 4.09Å; M95-V131 HydrophobicContact CG-CG2 4.42Å; M95-V131 HydrophobicContact SD-CG2 4.1Å
96	Y	79.7	Confident	73.2	Confident	106 Å²	106	64 Å²	64	42%	0.416	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-39.3	178.7	-68	-41.9	0	0	0	112.6	K92 L93 K94 L99 T100	K92-Y96 HydrophobicContact CD-CE2 4.27Å; K92-Y96 VanDerWaalsContact CE-OH 3.25Å; K92-Y96 WeakPolarHBondContact CE-OH 3.26Å; K92-Y96 HydrophobicContact CG-CD2 4.28Å; K92-Y96 HydrophobicContact CG-CE2 3.65Å; K92-Y96 WeakPolarHBondContact O-CD2 3.43Å; K92-Y96 PolarHBondContact O-N 2.92Å; K92-Y96 VanDerWaalsContact O-N 3.11Å; L93-Y96 HydrophobicContact CD2-CD2 4.38Å; L93-Y96 PolarHBondContact O-N 3.16Å; K94-Y96 PolarHBondContact O-N 3.28Å; Y96-L99 PolarHBondContact O-N 2.98Å; Y96-T100 VanDerWaalsContact O-CG2 3.25Å; Y96-T100 WeakPolarHBondContact O-CG2 3.46Å; Y96-T100 PolarHBondContact O-N 3.3Å; Y96-T100 PolarHBondContact O-OG1 2.82Å
97	T	80.3	Confident	74.2	Confident	8 Å²	8	65.2 Å²	65.2	5%	0.049	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-46.8	-179.2	-50.7	0	0	0	0	110.1	L78 V79 L93 K94 M95 L99 T100 M101	L78-T97 HydrophobicContact CD2-CG2 3.81Å; L78-T97 HydrophobicContact CG-CG2 4.32Å; V79-T97 HydrophobicContact CG2-CG2 3.89Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.45Å; L93-T97 PolarHBondContact O-N 2.88Å; L93-T97 PolarHBondContact O-OG1 2.95Å; K94-T97 PolarHBondContact O-N 3.41Å; K94-T97 VanDerWaalsContact O-N 3.15Å; M95-T97 VanDerWaalsContact C-N 3.34Å; M95-T97 PolarHBondContact O-N 2.78Å; T97-L99 PolarHBondContact O-N 2.87Å; T97-T100 WeakPolarHBondContact CA-OG1 3.41Å; T97-T100 PolarHBondContact O-N 2.82Å; T97-T100 PolarHBondContact O-OG1 3Å; T97-M101 WeakPolarHBondContact O-CG 2.97Å; T97-M101 PolarHBondContact O-N 2.84Å
98	D	79.1	Confident	75.8	Confident	53 Å²	53	64.6 Å²	64.6	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-44.8	175.9	-69.6	-7.8	0	0	0	111.5	K94 T100 M101 V102	K94-D98 IonicContact NZ-OD1 3.45Å; K94-D98 PolarHBondContact NZ-OD1 2.79Å; K94-D98 IonicContact NZ-OD2 2.73Å; K94-D98 PolarHBondContact NZ-OD2 2.97Å; K94-D98 WeakPolarHBondContact O-CB 3.31Å; K94-D98 PolarHBondContact O-N 3.18Å; D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 PolarHBondContact O-N 2.9Å; D98-M101 PolarHBondContact O-N 3.05Å; D98-M101 VanDerWaalsContact O-N 3.16Å; D98-V102 WeakPolarHBondContact O-CG2 3.39Å; D98-V102 PolarHBondContact O-N 2.98Å
99	L	81.4	Confident	77.3	Confident	98 Å²	98	59.5 Å²	59.5	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-39	177.1	-170.6	67.7	0	0	0	111.6	M95 Y96 T97 V102 A103	M95-L99 VanDerWaalsContact O-CB 3.3Å; M95-L99 WeakPolarHBondContact O-CB 3.31Å; M95-L99 PolarHBondContact O-N 2.9Å; Y96-L99 PolarHBondContact O-N 2.98Å; T97-L99 PolarHBondContact O-N 2.87Å; L99-V102 PolarHBondContact O-N 2.85Å; L99-A103 WeakPolarHBondContact O-CB 3.48Å; L99-A103 PolarHBondContact O-N 3.42Å
100	T	85.6	Confident	78.7	Confident	81 Å²	81	60.7 Å²	60.7	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-67.6	-38.4	175.1	57.6	0	0	0	0	112.1	Y96 T97 D98 V102 A103 V104	Y96-T100 VanDerWaalsContact O-CG2 3.25Å; Y96-T100 WeakPolarHBondContact O-CG2 3.46Å; Y96-T100 PolarHBondContact O-N 3.3Å; Y96-T100 PolarHBondContact O-OG1 2.82Å; T97-T100 WeakPolarHBondContact CA-OG1 3.41Å; T97-T100 PolarHBondContact O-N 2.82Å; T97-T100 PolarHBondContact O-OG1 3Å; D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 PolarHBondContact O-N 2.9Å; T100-V102 VanDerWaalsContact C-N 3.34Å; T100-V102 PolarHBondContact O-N 2.91Å; T100-A103 PolarHBondContact O-N 2.9Å; T100-V104 WeakPolarHBondContact O-CB 3.21Å; T100-V104 VanDerWaalsContact O-CG2 3.26Å; T100-V104 WeakPolarHBondContact O-CG2 3.26Å; T100-V104 PolarHBondContact O-N 3.24Å
101	M	83.5	Confident	80	Confident	109 Å²	109	65 Å²	65	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-43.6	174.6	-70.8	179.8	74.1	0	0	111.1	T97 D98 V104 A105	T97-M101 WeakPolarHBondContact O-CG 2.97Å; T97-M101 PolarHBondContact O-N 2.84Å; D98-M101 PolarHBondContact O-N 3.05Å; D98-M101 VanDerWaalsContact O-N 3.16Å; M101-V104 PolarHBondContact O-N 2.88Å; M101-A105 WeakPolarHBondContact O-CB 3.37Å; M101-A105 PolarHBondContact O-N 3.26Å
102	V	82.7	Confident	81.4	Confident	48 Å²	48	72 Å²	72	29%	0.291	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174.8	171.1	0	0	0	0	111.3	D98 L99 T100 V104 A105 L106 T123	D98-V102 WeakPolarHBondContact O-CG2 3.39Å; D98-V102 PolarHBondContact O-N 2.98Å; L99-V102 PolarHBondContact O-N 2.85Å; T100-V102 VanDerWaalsContact C-N 3.34Å; T100-V102 PolarHBondContact O-N 2.91Å; V102-V104 PolarHBondContact O-N 3.47Å; V102-A105 PolarHBondContact O-N 3.27Å; V102-L106 WeakPolarHBondContact O-CB 3.35Å; V102-L106 PolarHBondContact O-N 3.07Å; V102-T123 HydrophobicContact CB-CG2 4.05Å; V102-T123 HydrophobicContact CG1-CG2 3.48Å; V102-T123 VanDerWaalsContact CG1-CG2 3.48Å; V102-T123 HydrophobicContact CG2-CG2 3.31Å
103	A	85	Confident	82.2	Confident	51 Å²	51	73.7 Å²	73.7	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-43.5	179.3	0	0	0	0	0	111.7	L99 T100 L106 V107	L99-A103 WeakPolarHBondContact O-CB 3.48Å; L99-A103 PolarHBondContact O-N 3.42Å; T100-A103 PolarHBondContact O-N 2.9Å; A103-L106 PolarHBondContact O-N 3.39Å; A103-V107 WeakPolarHBondContact O-CG2 3.44Å; A103-V107 PolarHBondContact O-N 2.79Å
104	V	87.9	Confident	82.7	Confident	87 Å²	87	81.6 Å²	81.6	53%	0.527	42%	0.421	S	S	.	.	H	α-helix	trans	-62.8	-45.9	176.2	170.1	0	0	0	0	110.8	T100 M101 V102 L106 V107 I108	T100-V104 WeakPolarHBondContact O-CB 3.21Å; T100-V104 VanDerWaalsContact O-CG2 3.26Å; T100-V104 WeakPolarHBondContact O-CG2 3.26Å; T100-V104 PolarHBondContact O-N 3.24Å; M101-V104 PolarHBondContact O-N 2.88Å; V102-V104 PolarHBondContact O-N 3.47Å; V104-L106 VanDerWaalsContact C-N 3.26Å; V104-L106 PolarHBondContact O-N 3.5Å; V104-V107 PolarHBondContact O-N 2.92Å; V104-I108 HydrophobicContact CG1-CD1 3.86Å; V104-I108 WeakPolarHBondContact O-CG1 3.3Å; V104-I108 PolarHBondContact O-N 2.89Å
105	A	84.2	Confident	82.8	Confident	44 Å²	44	81 Å²	81	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-59.3	-39.3	176.2	0	0	0	0	0	111.5	M101 V102 I108 S109 I119	M101-A105 WeakPolarHBondContact O-CB 3.37Å; M101-A105 PolarHBondContact O-N 3.26Å; V102-A105 PolarHBondContact O-N 3.27Å; A105-I108 PolarHBondContact O-N 2.78Å; A105-S109 VanDerWaalsContact O-CB 3.27Å; A105-S109 WeakPolarHBondContact O-CB 3.32Å; A105-S109 PolarHBondContact O-N 2.83Å; A105-I119 VanDerWaalsContact C-CD1 3.48Å; A105-I119 HydrophobicContact CB-CD1 3.74Å; A105-I119 HydrophobicContact CB-CG1 4.46Å
106	L	84	Confident	82.9	Confident	62 Å²	62	84.3 Å²	84.3	33%	0.325	44%	0.443	S	S	.	.	H	α-helix	trans	-66.8	-42.2	179.6	-165.1	133.9	0	0	0	112	V102 A103 V104 S109 L110 L116 I119	V102-L106 WeakPolarHBondContact O-CB 3.35Å; V102-L106 PolarHBondContact O-N 3.07Å; A103-L106 PolarHBondContact O-N 3.39Å; V104-L106 VanDerWaalsContact C-N 3.26Å; V104-L106 PolarHBondContact O-N 3.5Å; L106-S109 PolarHBondContact O-N 3.49Å; L106-L110 HydrophobicContact CD2-CD1 3.71Å; L106-L110 HydrophobicContact CG-CD1 4.49Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.07Å; L106-L116 HydrophobicContact CD1-CD2 3.71Å; L106-L116 HydrophobicContact CG-CD2 3.93Å; L106-I119 HydrophobicContact CB-CD1 3.64Å; L106-I119 HydrophobicContact CD1-CD1 4.31Å; L106-I119 HydrophobicContact CD1-CG2 4.3Å; L106-I119 HydrophobicContact CG-CD1 4.27Å
107	V	88	Confident	82.5	Confident	81 Å²	81	83.5 Å²	83.5	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174.2	171.8	0	0	0	0	110.9	A103 V104 S109 L110 L111	A103-V107 WeakPolarHBondContact O-CG2 3.44Å; A103-V107 PolarHBondContact O-N 2.79Å; V104-V107 PolarHBondContact O-N 2.92Å; V107-S109 VanDerWaalsContact C-N 3.34Å; V107-S109 PolarHBondContact O-N 3.3Å; V107-L110 PolarHBondContact O-N 3Å; V107-L111 HydrophobicContact CG1-CD1 3.73Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 WeakPolarHBondContact O-CB 3.38Å; V107-L111 VanDerWaalsContact O-CG 3.29Å; V107-L111 WeakPolarHBondContact O-CG 3.35Å; V107-L111 PolarHBondContact O-N 3.48Å
108	I	87.4	Confident	81.8	Confident	84 Å²	84	86.7 Å²	86.7	43%	0.431	48%	0.484	S	S	.	.	H	α-helix	trans	-61.7	-44.7	178.1	-67.2	169.2	0	0	0	110.6	V104 A105 L110 L111 Y112	V104-I108 HydrophobicContact CG1-CD1 3.86Å; V104-I108 WeakPolarHBondContact O-CG1 3.3Å; V104-I108 PolarHBondContact O-N 2.89Å; A105-I108 PolarHBondContact O-N 2.78Å; I108-L110 PolarHBondContact O-N 3.35Å; I108-L111 PolarHBondContact O-N 3.04Å; I108-Y112 HydrophobicContact CG2-CD2 4.23Å; I108-Y112 PolarHBondContact O-N 3.16Å
109	S	84.3	Confident	81.5	Confident	5 Å²	5	85.4 Å²	85.4	4%	0.035	48%	0.477	C	S	.	.	H	α-helix	trans	-57.5	-48.2	179.7	-160.6	0	0	0	0	111.5	A105 L106 V107 F113 G115 V117	A105-S109 VanDerWaalsContact O-CB 3.27Å; A105-S109 WeakPolarHBondContact O-CB 3.32Å; A105-S109 PolarHBondContact O-N 2.83Å; L106-S109 PolarHBondContact O-N 3.49Å; V107-S109 VanDerWaalsContact C-N 3.34Å; V107-S109 PolarHBondContact O-N 3.3Å; S109-F113 WeakPolarHBondContact O-CA 3.25Å; S109-F113 WeakPolarHBondContact O-CB 3.25Å; S109-F113 PolarHBondContact O-N 3.11Å; S109-G115 CarbonylContact C-O 3.57Å; S109-G115 PolarHBondContact OG-O 2.88Å; S109-V117 PolarHBondContact OG-N 2.88Å; S109-V117 PolarHBondContact OG-O 3.06Å
110	L	85.5	Confident	81.3	Confident	87 Å²	87	87.6 Å²	87.6	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-67.6	-40.4	179.1	-70	173.2	0	0	0	113.3	L106 V107 I108 Q114	L106-L110 HydrophobicContact CD2-CD1 3.71Å; L106-L110 HydrophobicContact CG-CD1 4.49Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.07Å; V107-L110 PolarHBondContact O-N 3Å; I108-L110 PolarHBondContact O-N 3.35Å; L110-Q114 WeakPolarHBondContact O-CA 3.2Å; L110-Q114 PolarHBondContact O-N 2.82Å
111	L	89.1	Confident	80.8	Confident	128 Å²	128	88.4 Å²	88.4	67%	0.67	48%	0.476	S	S	*	.	H	α-helix	trans	-71.3	-41.1	-177.4	-71.9	176.1	0	0	0	112.8	V107 I108	V107-L111 HydrophobicContact CG1-CD1 3.73Å; V107-L111 HydrophobicContact CG1-CG 4.33Å; V107-L111 WeakPolarHBondContact O-CB 3.38Å; V107-L111 VanDerWaalsContact O-CG 3.29Å; V107-L111 WeakPolarHBondContact O-CG 3.35Å; V107-L111 PolarHBondContact O-N 3.48Å; I108-L111 PolarHBondContact O-N 3.04Å
112	Y	86.7	Confident	80.3	Confident	189 Å²	189	83.7 Å²	83.7	74%	0.741	46%	0.455	S	S	*	.	H	α-helix	trans	-96.6	-39.3	-173	-81.5	-87.7	0	0	0	113.9	I108	I108-Y112 HydrophobicContact CG2-CD2 4.23Å; I108-Y112 PolarHBondContact O-N 3.16Å
113	F	80.4	Confident	79.9	Confident	135 Å²	135	83.3 Å²	83.3	59%	0.592	45%	0.454	S	S	*	.	H	α-helix	trans	-101.4	-3.5	-173.5	-59	-85.4	0	0	0	112.9	S109 G115 V117	S109-F113 WeakPolarHBondContact O-CA 3.25Å; S109-F113 WeakPolarHBondContact O-CB 3.25Å; S109-F113 PolarHBondContact O-N 3.11Å; F113-G115 PolarHBondContact O-N 2.84Å; F113-G115 VanDerWaalsContact O-N 3.13Å; F113-V117 HydrophobicContact CB-CB 4.38Å; F113-V117 HydrophobicContact CB-CG2 3.85Å; F113-V117 HydrophobicContact CG-CB 4.49Å; F113-V117 HydrophobicContact CG-CG2 4.35Å
114	Q	78.2	Confident	79.2	Confident	181 Å²	181	86.3 Å²	86.3	85%	0.846	46%	0.461	S	S	*	.	S	Bend	trans	51.6	31.6	-177.6	-59.8	-166.8	-9.9	0	0	113.5	L110	L110-Q114 WeakPolarHBondContact O-CA 3.2Å; L110-Q114 PolarHBondContact O-N 2.82Å
115	G	74.7	Confident	78.5	Confident	25 Å²	25	84 Å²	84	26%	0.258	45%	0.446	S	S	.	.	S	Bend	trans	-173.8	168.9	-178.3	0	0	0	0	0	111.1	S109 F113 V117	S109-G115 CarbonylContact C-O 3.57Å; S109-G115 PolarHBondContact OG-O 2.88Å; F113-G115 PolarHBondContact O-N 2.84Å; F113-G115 VanDerWaalsContact O-N 3.13Å; G115-V117 PolarHBondContact O-N 3.4Å; G115-V117 VanDerWaalsContact O-N 3.14Å
116	L	73.5	Confident	77.8	Confident	109 Å²	109	83.8 Å²	83.8	57%	0.571	44%	0.443	S	S	*	.			trans	-81.1	89.6	175.2	-76.8	156.3	0	0	0	109.4	L106 I119	L106-L116 HydrophobicContact CD1-CD2 3.71Å; L106-L116 HydrophobicContact CG-CD2 3.93Å; L116-I119 HydrophobicContact CD2-CB 4.48Å
117	V	70.5	Confident	76.9	Confident	89 Å²	89	82.7 Å²	82.7	54%	0.539	44%	0.443	S	S	.	.			trans	-101.7	125.3	172	-175.9	0	0	0	0	108.7	S109 F113 G115 I119	S109-V117 PolarHBondContact OG-N 2.88Å; S109-V117 PolarHBondContact OG-O 3.06Å; F113-V117 HydrophobicContact CB-CB 4.38Å; F113-V117 HydrophobicContact CB-CG2 3.85Å; F113-V117 HydrophobicContact CG-CB 4.49Å; F113-V117 HydrophobicContact CG-CG2 4.35Å; G115-V117 PolarHBondContact O-N 3.4Å; G115-V117 VanDerWaalsContact O-N 3.14Å; V117-I119 PolarHBondContact O-N 2.81Å
118	G	66.3	Low	75.8	Confident	75 Å²	75	84.3 Å²	84.3	77%	0.773	45%	0.449	S	S	*	.	S	Bend	trans	87	-12.6	175.5	0	0	0	0	0	116.2
119	I	71.9	Confident	74.8	Confident	26 Å²	26	87.1 Å²	87.1	13%	0.133	46%	0.458	C	S	.	.			trans	-115.5	119.1	178.2	-57.9	169.9	0	0	0	108.8	A105 L106 L116 V117 T123	A105-I119 VanDerWaalsContact C-CD1 3.48Å; A105-I119 HydrophobicContact CB-CD1 3.74Å; A105-I119 HydrophobicContact CB-CG1 4.46Å; L106-I119 HydrophobicContact CB-CD1 3.64Å; L106-I119 HydrophobicContact CD1-CD1 4.31Å; L106-I119 HydrophobicContact CD1-CG2 4.3Å; L106-I119 HydrophobicContact CG-CD1 4.27Å; L116-I119 HydrophobicContact CD2-CB 4.48Å; V117-I119 PolarHBondContact O-N 2.81Å; I119-T123 HydrophobicContact CG2-CG2 4.41Å
120	R	77.4	Confident	73.4	Confident	144 Å²	144	89.8 Å²	89.8	54%	0.543	47%	0.474	S	S	.	.			trans	-133.1	-175.3	-178.9	-64.1	-173.7	73.7	-177.8	1.5	110.3	G122 T123	R120-G122 PolarHBondContact O-N 2.84Å; R120-G122 VanDerWaalsContact O-N 3.12Å; R120-T123 WeakPolarHBondContact O-CB 3.34Å; R120-T123 PolarHBondContact O-N 3.31Å; R120-T123 PolarHBondContact O-OG1 2.77Å
121	E	75.7	Confident	71.7	Confident	97 Å²	97	89 Å²	89	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-55.7	-31.4	-175	-50.4	-177	-147.6	0	0	112.6	Y44 T123 I124 I125	Y44-E121 PolarHBondContact OH-OE1 2.76Å; Y44-E121 PolarHBondContact OH-OE2 2.65Å; E121-T123 PolarHBondContact O-N 3.24Å; E121-I124 PolarHBondContact O-N 3.44Å; E121-I125 WeakPolarHBondContact O-CG1 3.38Å; E121-I125 PolarHBondContact O-N 3.02Å
122	G	72.5	Confident	69.4	Low	10 Å²	10	89.1 Å²	89.1	10%	0.103	47%	0.474	C	S	.	.	H	α-helix	trans	-54.5	-37.5	173.4	0	0	0	0	0	113.4	M55 R120 I124 I125 A126	M55-G122 VanDerWaalsContact CE-CA 3.45Å; M55-G122 WeakPolarHBondContact CE-O 3.24Å; R120-G122 PolarHBondContact O-N 2.84Å; R120-G122 VanDerWaalsContact O-N 3.12Å; G122-I124 VanDerWaalsContact C-N 3.34Å; G122-I124 PolarHBondContact O-N 2.84Å; G122-I125 PolarHBondContact O-N 3.28Å; G122-A126 WeakPolarHBondContact O-CB 3.36Å; G122-A126 PolarHBondContact O-N 3.39Å
123	T	73.9	Confident	67.3	Low	41 Å²	41	87.8 Å²	87.8	25%	0.252	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-36.5	178	-48.8	0	0	0	0	112.3	V102 I119 R120 E121 A127	V102-T123 HydrophobicContact CB-CG2 4.05Å; V102-T123 HydrophobicContact CG1-CG2 3.48Å; V102-T123 VanDerWaalsContact CG1-CG2 3.48Å; V102-T123 HydrophobicContact CG2-CG2 3.31Å; I119-T123 HydrophobicContact CG2-CG2 4.41Å; R120-T123 WeakPolarHBondContact O-CB 3.34Å; R120-T123 PolarHBondContact O-N 3.31Å; R120-T123 PolarHBondContact O-OG1 2.77Å; E121-T123 PolarHBondContact O-N 3.24Å; T123-A127 PolarHBondContact O-N 2.66Å
124	I	70.5	Confident	65.2	Low	113 Å²	113	84.5 Å²	84.5	58%	0.579	47%	0.472	S	S	*	.	H	α-helix	trans	-70.8	-42	176.3	-59.4	178.6	0	0	0	110	E121 G122 A127 L128	E121-I124 PolarHBondContact O-N 3.44Å; G122-I124 VanDerWaalsContact C-N 3.34Å; G122-I124 PolarHBondContact O-N 2.84Å; I124-A127 PolarHBondContact O-N 3.31Å; I124-L128 HydrophobicContact CG2-CD1 4.19Å; I124-L128 WeakPolarHBondContact O-CG 3.38Å; I124-L128 PolarHBondContact O-N 2.83Å
125	I	74.1	Confident	62.9	Low	40 Å²	40	84.5 Å²	84.5	21%	0.205	47%	0.472	C	S	.	.	H	α-helix	trans	-62.5	-46.7	178.8	-66.7	167	0	0	0	110.7	L48 L52 E121 G122 A127 L128 F129	L48-I125 HydrophobicContact CD1-CD1 3.78Å; L52-I125 HydrophobicContact CD2-CG2 3.89Å; E121-I125 WeakPolarHBondContact O-CG1 3.38Å; E121-I125 PolarHBondContact O-N 3.02Å; G122-I125 PolarHBondContact O-N 3.28Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.48Å; I125-L128 PolarHBondContact O-N 3.44Å; I125-F129 HydrophobicContact CG2-CD2 3.67Å; I125-F129 HydrophobicContact CG2-CE2 3.52Å; I125-F129 VanDerWaalsContact O-CD2 3.3Å; I125-F129 WeakPolarHBondContact O-CD2 3.27Å; I125-F129 PolarHBondContact O-N 2.8Å; I125-F129 VanDerWaalsContact O-N 3.1Å
126	A	68.3	Low	60.7	Low	38 Å²	38	90.6 Å²	90.6	31%	0.314	49%	0.494	S	S	.	.	H	α-helix	trans	-57.2	-48	176.2	0	0	0	0	0	111.3	M55 G122 L128 F129 T130	M55-A126 HydrophobicContact CE-CB 4.11Å; M55-A126 HydrophobicContact SD-CB 4.33Å; G122-A126 WeakPolarHBondContact O-CB 3.36Å; G122-A126 PolarHBondContact O-N 3.39Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 2.84Å; A126-F129 PolarHBondContact O-N 3.5Å; A126-T130 PolarHBondContact O-N 3Å; A126-T130 PolarHBondContact O-OG1 3.4Å
127	A	66	Low	58.5	Low	39 Å²	39	91.5 Å²	91.5	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-60.5	-36.6	178.6	0	0	0	0	0	113.2	T123 I124 I125 V131	T123-A127 PolarHBondContact O-N 2.66Å; I124-A127 PolarHBondContact O-N 3.31Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.48Å; A127-V131 VanDerWaalsContact O-CG2 3.28Å; A127-V131 WeakPolarHBondContact O-CG2 3.48Å; A127-V131 PolarHBondContact O-N 2.86Å
128	L	65.6	Low	56.7	Low	116 Å²	116	95.9 Å²	95.9	61%	0.607	51%	0.51	S	S	*	.	H	α-helix	trans	-68.8	-41.5	177.4	-76	168.9	0	0	0	112.5	I124 I125 A126 T130 V131	I124-L128 HydrophobicContact CG2-CD1 4.19Å; I124-L128 WeakPolarHBondContact O-CG 3.38Å; I124-L128 PolarHBondContact O-N 2.83Å; I125-L128 PolarHBondContact O-N 3.44Å; A126-L128 VanDerWaalsContact C-N 3.3Å; A126-L128 PolarHBondContact O-N 2.84Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 3.14Å; L128-V131 PolarHBondContact O-N 2.87Å
129	F	66.4	Low	55.3	Low	142 Å²	142	97.5 Å²	97.5	62%	0.623	51%	0.505	S	S	*	.	H	α-helix	trans	-63.1	-38.8	177.2	-84.1	-69.7	0	0	0	112	I125 A126 V131	I125-F129 HydrophobicContact CG2-CD2 3.67Å; I125-F129 HydrophobicContact CG2-CE2 3.52Å; I125-F129 VanDerWaalsContact O-CD2 3.3Å; I125-F129 WeakPolarHBondContact O-CD2 3.27Å; I125-F129 PolarHBondContact O-N 2.8Å; I125-F129 VanDerWaalsContact O-N 3.1Å; A126-F129 PolarHBondContact O-N 3.5Å; F129-V131 VanDerWaalsContact C-N 3.27Å; F129-V131 PolarHBondContact O-N 3.48Å
130	T	54.8	Low	53.7	Low	62 Å²	62	102.2 Å²	102.2	38%	0.38	53%	0.526	S	S	.	.	H	α-helix	trans	-68.6	-23.4	179.4	-34.8	0	0	0	0	113.5	A126 L128	A126-T130 PolarHBondContact O-N 3Å; A126-T130 PolarHBondContact O-OG1 3.4Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-T130 PolarHBondContact O-N 3.14Å
131	V	48.3	Very low	52.6	Low	70 Å²	70	98.5 Å²	98.5	42%	0.424	52%	0.515	S	S	.	.	H	α-helix	trans	-78.5	-32.8	-178.4	172.2	0	0	0	0	112.3	M95 A127 L128 F129	M95-V131 HydrophobicContact CE-CG2 4.09Å; M95-V131 HydrophobicContact CG-CG2 4.42Å; M95-V131 HydrophobicContact SD-CG2 4.1Å; A127-V131 VanDerWaalsContact O-CG2 3.28Å; A127-V131 WeakPolarHBondContact O-CG2 3.48Å; A127-V131 PolarHBondContact O-N 2.86Å; L128-V131 PolarHBondContact O-N 2.87Å; F129-V131 VanDerWaalsContact C-N 3.27Å; F129-V131 PolarHBondContact O-N 3.48Å
132	N	42.7	Very low	51.6	Low	131 Å²	131	99.8 Å²	99.8	70%	0.701	52%	0.516	S	S	*	.	H	α-helix	trans	-74.7	-31.7	-176.4	-93.6	-1.8	0	0	0	114.1
133	E	41.7	Very low	51.3	Low	161 Å²	161	101.7 Å²	101.7	75%	0.752	52%	0.523	S	S	*	.	H	α-helix	trans	-78	-20.4	-177.9	-69.9	-173.1	170.8	0	0	113.3	E135	E133-E135 PolarHBondContact O-N 2.79Å
134	A	36.4	Very low	51	Low	65 Å²	65	102.8 Å²	102.8	54%	0.537	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.5	-177.9	0	0	0	0	0	114.5
135	E	30.6	Very low	51.2	Low	182 Å²	182	105.1 Å²	105.1	85%	0.85	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	3.6	-178.4	-63.2	-159.9	154.1	0	0	114.9	E133	E133-E135 PolarHBondContact O-N 2.79Å
136	Q	27.9	Very low	51.5	Low	152 Å²	152	107.1 Å²	107.1	71%	0.71	56%	0.563	S	S	*	*			trans	-121.5	136.7	175.6	-76.1	-171.6	-72.9	0	0	110.2
137	E	27.8	Very low	52.4	Low	129 Å²	129	106.5 Å²	106.5	60%	0.603	56%	0.556	S	S	*	*			cis	-173.2	116.7	-5.3	-164	167.7	-169.7	0	0	103.8
138	Q	31.9	Very low	53.5	Low	181 Å²	181	104.7 Å²	104.7	85%	0.846	54%	0.541	S	S	*	.				36.7	109.2	103.9	-64.6	-165.3	-8.2	0	0	114.6	E140	Q138-E140 PolarHBondContact O-N 3.36Å
139	T	37.9	Very low	54.4	Low	108 Å²	108	99.3 Å²	99.3	66%	0.663	51%	0.513	S	S	*	.			trans	-58.2	93.5	173	41.4	0	0	0	0	110.7	H141	T139-H141 PolarHBondContact O-N 3.41Å
140	E	37.6	Very low	55.5	Low	125 Å²	125	93.4 Å²	93.4	58%	0.584	49%	0.488	S	S	*	.			trans	-70.5	121.1	168.5	-86.4	-159.6	139.3	0	0	109.7	Q138 R142	Q138-E140 PolarHBondContact O-N 3.36Å; E140-R142 PolarHBondContact O-N 3.45Å
141	H	54.4	Low	57	Low	66 Å²	66	93 Å²	93	31%	0.306	48%	0.48	S	S	.	.	S	Bend	trans	-72.7	53.8	172.5	-67.9	-93	0	0	0	111.4	T139 A149 Y151 D221	T139-H141 PolarHBondContact O-N 3.41Å; H141-A149 HydrophobicContact CB-CB 4.32Å; H141-Y151 AromaticContact ND1-CZ 3.88Å; H141-Y151 PolarHBondContact ND1-OH 3.08Å; H141-D221 IonicContact ND1-OD2 2.57Å
142	R	54.8	Low	58.9	Low	125 Å²	125	92.6 Å²	92.6	47%	0.472	47%	0.473	S	S	.	.	S	Bend	trans	-141.9	141.8	-178.9	-70	-176	162.3	-173.1	-7.1	111.6	E140 L148	E140-R142 PolarHBondContact O-N 3.45Å; R142-L148 CarbonylContact C-O 3.53Å; R142-L148 WeakPolarHBondContact CA-O 3.33Å
143	I	64.9	Low	61	Low	50 Å²	50	91 Å²	91	26%	0.256	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-93.7	94.1	169.2	-60.7	171.7	0	0	0	107.8	D145 F146 L148 I150 Y270 F272	I143-D145 PolarHBondContact O-N 3.19Å; I143-F146 WeakPolarHBondContact O-CB 3.15Å; I143-F146 WeakPolarHBondContact O-CD2 3.48Å; I143-F146 PolarHBondContact O-N 3.19Å; I143-F146 VanDerWaalsContact O-N 3.08Å; I143-L148 HydrophobicContact CD1-CD1 4.09Å; I143-L148 PolarHBondContact N-O 3.4Å; I143-I150 HydrophobicContact CD1-CB 4.15Å; I143-I150 HydrophobicContact CD1-CD1 4.3Å; I143-I150 HydrophobicContact CD1-CG1 3.96Å; I143-Y270 HydrophobicContact CD1-CD2 3.86Å; I143-Y270 HydrophobicContact CD1-CE2 3.76Å; I143-F272 HydrophobicContact CG2-CE1 4.48Å; I143-F272 HydrophobicContact CG2-CZ 3.96Å
144	G	69.3	Low	63.3	Low	63 Å²	63	88.3 Å²	88.3	65%	0.649	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-129	-173	0	0	0	0	0	111	F146	G144-F146 VanDerWaalsContact C-N 3.27Å; G144-F146 PolarHBondContact O-N 3.04Å
145	D	74	Confident	65.5	Low	162 Å²	162	86 Å²	86	87%	0.866	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-2.7	178.7	-62.8	-35.3	0	0	0	113.9	I143	I143-D145 PolarHBondContact O-N 3.19Å
146	F	80	Confident	67.9	Low	82 Å²	82	78.9 Å²	78.9	36%	0.36	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-76.8	136.8	-177.8	-69.3	-84	0	0	0	111.1	I143 G144 L148 F272	I143-F146 WeakPolarHBondContact O-CB 3.15Å; I143-F146 WeakPolarHBondContact O-CD2 3.48Å; I143-F146 PolarHBondContact O-N 3.19Å; I143-F146 VanDerWaalsContact O-N 3.08Å; G144-F146 VanDerWaalsContact C-N 3.27Å; G144-F146 PolarHBondContact O-N 3.04Å; F146-L148 HydrophobicContact CB-CG 4.41Å; F146-L148 PolarHBondContact O-N 3.28Å; F146-F272 HydrophobicContact CB-CD1 4.46Å; F146-F272 HydrophobicContact CB-CE1 3.98Å; F146-F272 AromaticContact CD1-CD1 3.8Å; F146-F272 HydrophobicContact CD1-CD1 3.8Å; F146-F272 HydrophobicContact CD1-CE1 4.01Å; F146-F272 HydrophobicContact CD1-CG 4.07Å; F146-F272 HydrophobicContact CD1-CZ 4.47Å; F146-F272 HydrophobicContact CD2-CD1 4.21Å; F146-F272 HydrophobicContact CD2-CD2 4.34Å; F146-F272 AromaticContact CD2-CE1 3.65Å; F146-F272 HydrophobicContact CD2-CE1 3.65Å; F146-F272 AromaticContact CD2-CE2 3.8Å; F146-F272 HydrophobicContact CD2-CE2 3.8Å; F146-F272 AromaticContact CD2-CZ 3.41Å; F146-F272 HydrophobicContact CD2-CZ 3.41Å; F146-F272 VanDerWaalsContact CD2-CZ 3.41Å; F146-F272 HydrophobicContact CE1-CB 4.17Å; F146-F272 HydrophobicContact CE1-CD1 4.03Å; F146-F272 HydrophobicContact CE1-CD2 4.02Å; F146-F272 HydrophobicContact CE1-CE1 4.43Å; F146-F272 HydrophobicContact CE1-CE2 4.43Å; F146-F272 AromaticContact CE1-CG 3.8Å; F146-F272 HydrophobicContact CE1-CG 3.8Å; F146-F272 HydrophobicContact CE2-CD1 4.43Å; F146-F272 AromaticContact CE2-CD2 3.81Å; F146-F272 HydrophobicContact CE2-CD2 3.81Å; F146-F272 HydrophobicContact CE2-CE1 4.11Å; F146-F272 AromaticContact CE2-CE2 3.44Å; F146-F272 HydrophobicContact CE2-CE2 3.44Å; F146-F272 VanDerWaalsContact CE2-CE2 3.44Å; F146-F272 HydrophobicContact CE2-CG 4.28Å; F146-F272 AromaticContact CE2-CZ 3.6Å; F146-F272 HydrophobicContact CE2-CZ 3.6Å; F146-F272 AromaticContact CG-CD1 3.89Å; F146-F272 HydrophobicContact CG-CD1 3.89Å; F146-F272 AromaticContact CG-CE1 3.59Å; F146-F272 HydrophobicContact CG-CE1 3.59Å; F146-F272 HydrophobicContact CG-CE2 4.44Å; F146-F272 HydrophobicContact CG-CG 4.42Å; F146-F272 AromaticContact CG-CZ 3.89Å; F146-F272 HydrophobicContact CG-CZ 3.89Å; F146-F272 HydrophobicContact CZ-CD1 4.34Å; F146-F272 AromaticContact CZ-CD2 3.63Å; F146-F272 HydrophobicContact CZ-CD2 3.63Å; F146-F272 HydrophobicContact CZ-CE1 4.47Å; F146-F272 AromaticContact CZ-CE2 3.79Å; F146-F272 HydrophobicContact CZ-CE2 3.79Å; F146-F272 AromaticContact CZ-CG 3.92Å; F146-F272 HydrophobicContact CZ-CG 3.92Å; F146-F272 HydrophobicContact CZ-CZ 4.21Å
147	P	87	Confident	70.4	Confident	25 Å²	25	78.5 Å²	78.5	16%	0.162	39%	0.386	C	S	.	.	S	Bend	trans	-79.2	37.9	-177	35.3	-38.5	0	0	0	112.5	S223 F226	P147-S223 PolarHBondContact O-N 2.85Å; P147-F226 HydrophobicContact CB-CB 4.32Å; P147-F226 HydrophobicContact CG-CB 3.8Å
148	L	89.3	Confident	72.5	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.4	179.4	66.1	90.3	0	0	0	111.9	R142 I143 F146 I150 D221 F222 F272 I275 Y276 I279	R142-L148 CarbonylContact C-O 3.53Å; R142-L148 WeakPolarHBondContact CA-O 3.33Å; I143-L148 HydrophobicContact CD1-CD1 4.09Å; I143-L148 PolarHBondContact N-O 3.4Å; F146-L148 HydrophobicContact CB-CG 4.41Å; F146-L148 PolarHBondContact O-N 3.28Å; L148-I150 HydrophobicContact CD1-CD1 3.98Å; L148-I150 HydrophobicContact CD1-CG1 3.77Å; L148-D221 CarbonylContact C-O 3.53Å; L148-D221 WeakPolarHBondContact CA-O 3.49Å; L148-D221 WeakPolarHBondContact CB-O 3.29Å; L148-F222 HydrophobicContact CB-CB 3.91Å; L148-F272 HydrophobicContact CD1-CE1 4.26Å; L148-I275 HydrophobicContact CD1-CG2 4.4Å; L148-I275 HydrophobicContact CD2-CG2 3.92Å; L148-Y276 HydrophobicContact CD2-CD2 4.2Å; L148-Y276 HydrophobicContact CD2-CE2 3.62Å; L148-I279 HydrophobicContact CD2-CD1 4.36Å
149	A	85.8	Confident	74.4	Confident	4 Å²	4	71.2 Å²	71.2	3%	0.033	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.1	168.4	0	0	0	0	0	110.7	H141 Y151 I220 D221	H141-A149 HydrophobicContact CB-CB 4.32Å; A149-Y151 HydrophobicContact CB-CE2 3.64Å; A149-I220 CarbonylContact O-C 3.52Å; A149-I220 WeakPolarHBondContact O-CA 3.41Å; A149-D221 PolarHBondContact N-O 2.8Å; A149-D221 PolarHBondContact O-N 3.37Å
150	I	88.3	Confident	76.1	Confident	17 Å²	17	72.9 Å²	72.9	9%	0.087	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.1	178.5	-55.2	179.4	0	0	0	108.1	I143 L148 V218 C219 I220 I263 Y270 I275	I143-I150 HydrophobicContact CD1-CB 4.15Å; I143-I150 HydrophobicContact CD1-CD1 4.3Å; I143-I150 HydrophobicContact CD1-CG1 3.96Å; L148-I150 HydrophobicContact CD1-CD1 3.98Å; L148-I150 HydrophobicContact CD1-CG1 3.77Å; I150-V218 HydrophobicContact CG2-CG1 3.92Å; I150-C219 CarbonylContact C-O 3.58Å; I150-C219 WeakPolarHBondContact CA-O 3.49Å; I150-I220 HydrophobicContact CG1-CG1 4.31Å; I150-I220 HydrophobicContact CG1-CG2 4.35Å; I150-I220 HydrophobicContact CG2-CG1 4.39Å; I150-I263 HydrophobicContact CG2-CG2 3.95Å; I150-Y270 HydrophobicContact CB-CE2 4.38Å; I150-Y270 HydrophobicContact CD1-CD1 4.25Å; I150-Y270 HydrophobicContact CD1-CD2 4.22Å; I150-Y270 HydrophobicContact CD1-CE1 4.37Å; I150-Y270 HydrophobicContact CD1-CE2 4.32Å; I150-Y270 HydrophobicContact CD1-CG 4.19Å; I150-Y270 HydrophobicContact CG2-CE1 4.49Å; I150-I275 HydrophobicContact CD1-CD1 3.4Å; I150-I275 HydrophobicContact CD1-CG1 3.97Å; I150-I275 HydrophobicContact CD1-CG2 4.35Å
151	Y	86.3	Confident	77.9	Confident	55 Å²	55	67.6 Å²	67.6	22%	0.216	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.9	178.5	-55	-81.3	0	0	0	109.2	H141 A149 V218 C219 D221	H141-Y151 AromaticContact ND1-CZ 3.88Å; H141-Y151 PolarHBondContact ND1-OH 3.08Å; A149-Y151 HydrophobicContact CB-CE2 3.64Å; Y151-V218 CarbonylContact O-C 3.55Å; Y151-V218 VanDerWaalsContact O-CA 3.29Å; Y151-V218 WeakPolarHBondContact O-CA 3.49Å; Y151-C219 HydrophobicContact CD2-CB 4.29Å; Y151-C219 PolarHBondContact N-O 3.49Å; Y151-C219 PolarHBondContact O-N 3.07Å; Y151-D221 VanDerWaalsContact CE2-OD2 3.31Å; Y151-D221 WeakPolarHBondContact CE2-OD2 3.29Å
152	H	88.8	Confident	79.1	Confident	61 Å²	61	67.8 Å²	67.8	28%	0.282	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.1	164.9	-172	-177.5	0	0	0	107.6	E216	H152-E216 IonicContact CD2-OE1 3.78Å; H152-E216 IonicContact CE1-OE1 3.89Å; H152-E216 PolarHBondContact CE1-OE1 3.29Å; H152-E216 IonicContact NE2-OE1 3.71Å; H152-E216 PolarHBondContact NE2-OE1 3.13Å
153	R	87	Confident	80.1	Confident	96 Å²	96	63.7 Å²	63.7	36%	0.362	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	-173.7	-65.1	-67.3	-174.5	-114.1	11.6	110.5	E216 Y217	R153-E216 WeakPolarHBondContact O-CA 3.32Å; R153-Y217 HydrophobicContact CB-CD1 4.25Å; R153-Y217 HydrophobicContact CB-CD2 4.31Å; R153-Y217 HydrophobicContact CB-CE1 3.69Å; R153-Y217 HydrophobicContact CB-CE2 3.76Å; R153-Y217 VanDerWaalsContact CB-CZ 3.41Å; R153-Y217 HydrophobicContact CG-CE2 4.05Å; R153-Y217 PolarHBondContact N-O 3.31Å; R153-Y217 PolarHBondContact O-N 2.9Å
154	I	88.8	Confident	80.3	Confident	106 Å²	106	61.8 Å²	61.8	54%	0.544	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124	169.5	-59.8	168.5	0	0	0	105.9	A215 E216	I154-A215 WeakPolarHBondContact CA-O 3.5Å; I154-E216 HydrophobicContact CG1-CB 4.2Å; I154-E216 HydrophobicContact CG1-CG 3.89Å
155	L	83.1	Confident	80.5	Confident	15 Å²	15	62.1 Å²	62.1	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.7	171.2	-62.3	173.6	0	0	0	109	D161 L181 P210 T214 A215 Y217	L155-D161 HydrophobicContact CB-CB 4.08Å; L155-D161 HydrophobicContact CD2-CB 3.83Å; L155-L181 HydrophobicContact CD1-CD1 3.76Å; L155-P210 HydrophobicContact CB-CB 4.1Å; L155-P210 HydrophobicContact CB-CG 3.86Å; L155-T214 CarbonylContact O-C 3.5Å; L155-T214 VanDerWaalsContact O-CA 3.29Å; L155-T214 WeakPolarHBondContact O-CA 3.09Å; L155-A215 PolarHBondContact N-O 2.65Å; L155-A215 PolarHBondContact O-N 3.45Å; L155-Y217 HydrophobicContact CD1-CE1 3.7Å; L155-Y217 HydrophobicContact CG-CE1 3.81Å
156	D	80.7	Confident	80.3	Confident	34 Å²	34	56.3 Å²	56.3	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.1	175	-171.4	-33.9	0	0	0	110.7	T158 R159 N160 D161 T214	D156-T158 VanDerWaalsContact C-N 3.31Å; D156-T158 PolarHBondContact O-N 2.93Å; D156-T158 WeakPolarHBondContact OD1-CA 3.45Å; D156-T158 VanDerWaalsContact OD1-CB 3.3Å; D156-T158 WeakPolarHBondContact OD1-CB 3.49Å; D156-T158 PolarHBondContact OD1-N 2.89Å; D156-T158 PolarHBondContact OD1-OG1 3.02Å; D156-T158 PolarHBondContact OD2-OG1 3.49Å; D156-R159 HydrophobicContact CB-CB 4.12Å; D156-R159 HydrophobicContact CB-CG 4.06Å; D156-R159 PolarHBondContact O-N 2.85Å; D156-R159 PolarHBondContact OD1-N 3.26Å; D156-N160 PolarHBondContact O-N 3.32Å; D156-D161 WeakPolarHBondContact CB-OD2 3.19Å; D156-D161 PolarHBondContact N-OD2 3.49Å; D156-D161 WeakPolarHBondContact O-CB 3.4Å; D156-D161 PolarHBondContact O-N 3.04Å; D156-T214 HydrophobicContact CB-CG2 4.46Å
157	R	79.8	Confident	80.2	Confident	143 Å²	143	54.3 Å²	54.3	54%	0.54	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-30.7	-179.9	-170.4	176.3	169.7	-178.4	-2.3	112.3	R159 N160 P210 L211 T212 E213	R157-R159 PolarHBondContact O-N 3.45Å; R157-N160 PolarHBondContact O-N 3.29Å; R157-N160 VanDerWaalsContact O-N 3.17Å; R157-P210 HydrophobicContact CB-CB 4.28Å; R157-P210 HydrophobicContact CB-CG 3.8Å; R157-P210 HydrophobicContact CG-CG 4.43Å; R157-L211 PolarHBondContact NH1-O 3.42Å; R157-T212 WeakPolarHBondContact CB-O 3.46Å; R157-E213 WeakPolarHBondContact CB-O 3.16Å; R157-E213 PolarHBondContact N-O 2.85Å
158	T	73.5	Confident	79.6	Confident	88 Å²	88	53.8 Å²	53.8	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.2	177.8	72.4	0	0	0	0	112	D156 N160 E213	D156-T158 VanDerWaalsContact C-N 3.31Å; D156-T158 PolarHBondContact O-N 2.93Å; D156-T158 WeakPolarHBondContact OD1-CA 3.45Å; D156-T158 VanDerWaalsContact OD1-CB 3.3Å; D156-T158 WeakPolarHBondContact OD1-CB 3.49Å; D156-T158 PolarHBondContact OD1-N 2.89Å; D156-T158 PolarHBondContact OD1-OG1 3.02Å; D156-T158 PolarHBondContact OD2-OG1 3.49Å; T158-N160 VanDerWaalsContact C-N 3.33Å; T158-E213 HydrophobicContact CG2-CG 4.05Å
159	R	71.8	Confident	79	Confident	70 Å²	70	57.4 Å²	57.4	26%	0.264	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.7	174.3	-64.6	171.5	37.6	141.7	22.6	113.5	D156 R157 D161 Y374	D156-R159 HydrophobicContact CB-CB 4.12Å; D156-R159 HydrophobicContact CB-CG 4.06Å; D156-R159 PolarHBondContact O-N 2.85Å; D156-R159 PolarHBondContact OD1-N 3.26Å; R157-R159 PolarHBondContact O-N 3.45Å; R159-D161 IonicContact CZ-OD2 2.65Å; R159-D161 IonicContact NE-OD1 3.71Å; R159-D161 IonicContact NE-OD2 3.36Å; R159-D161 PolarHBondContact NE-OD2 3.18Å; R159-D161 IonicContact NH2-OD1 2.73Å; R159-D161 PolarHBondContact O-N 3.45Å; R159-Y374 WeakPolarHBondContact CD-O 3.35Å; R159-Y374 WeakPolarHBondContact CG-O 3.22Å; R159-Y374 PolarHBondContact NE-O 3.35Å; R159-Y374 PolarHBondContact NH1-O 2.93Å; R159-Y374 PolarHBondContact NH2-O 2.96Å
160	N	72.1	Confident	79	Confident	142 Å²	142	59.1 Å²	59.1	76%	0.759	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.7	-168.5	-63.4	-49.8	0	0	0	112.4	D156 R157 T158 E162	D156-N160 PolarHBondContact O-N 3.32Å; R157-N160 PolarHBondContact O-N 3.29Å; R157-N160 VanDerWaalsContact O-N 3.17Å; T158-N160 VanDerWaalsContact C-N 3.33Å; N160-E162 PolarHBondContact O-N 2.7Å
161	D	75.4	Confident	79.1	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.08	27%	0.268	C	S	.	.			trans	-68.4	134.6	175.7	-67.8	-24.7	0	0	0	110.3	L155 D156 R159 P210 K343	L155-D161 HydrophobicContact CB-CB 4.08Å; L155-D161 HydrophobicContact CD2-CB 3.83Å; D156-D161 WeakPolarHBondContact CB-OD2 3.19Å; D156-D161 PolarHBondContact N-OD2 3.49Å; D156-D161 WeakPolarHBondContact O-CB 3.4Å; D156-D161 PolarHBondContact O-N 3.04Å; R159-D161 IonicContact CZ-OD2 2.65Å; R159-D161 IonicContact NE-OD1 3.71Å; R159-D161 IonicContact NE-OD2 3.36Å; R159-D161 PolarHBondContact NE-OD2 3.18Å; R159-D161 IonicContact NH2-OD1 2.73Å; R159-D161 PolarHBondContact O-N 3.45Å; D161-P210 WeakPolarHBondContact O-CD 3.31Å; D161-K343 IonicContact OD1-NZ 2.78Å; D161-K343 PolarHBondContact OD1-NZ 3.32Å
162	E	79.6	Confident	79.4	Confident	69 Å²	69	55.8 Å²	55.8	32%	0.322	26%	0.259	S	S	.	.			trans	-142.6	153.1	172.4	67.1	170.4	-165.5	0	0	111.1	N160 M164 H207 V209	N160-E162 PolarHBondContact O-N 2.7Å; E162-M164 HydrophobicContact CG-CG 4.41Å; E162-M164 WeakPolarHBondContact OE1-CE 3.34Å; E162-H207 IonicContact OE2-CD2 3.86Å; E162-H207 IonicContact OE2-CE1 3.65Å; E162-H207 IonicContact OE2-NE2 2.7Å; E162-H207 PolarHBondContact OE2-NE2 3.32Å; E162-V209 HydrophobicContact CB-CG1 3.65Å
163	L	76.1	Confident	79.7	Confident	39 Å²	39	52.9 Å²	52.9	20%	0.204	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	102	163.7	-179.3	64.9	0	0	0	107.5	H166 H207 A208	L163-H166 VanDerWaalsContact CG-CE1 3.49Å; L163-H166 WeakPolarHBondContact CG-CE1 3.48Å; L163-H207 WeakPolarHBondContact O-CA 3.4Å; L163-H207 PolarHBondContact O-CD2 3.27Å; L163-A208 HydrophobicContact CB-CB 4.03Å; L163-A208 HydrophobicContact CD2-CB 4.27Å; L163-A208 PolarHBondContact N-O 2.74Å; L163-A208 PolarHBondContact O-N 2.94Å
164	M	69.3	Low	80.1	Confident	10 Å²	10	48.3 Å²	48.3	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	154.9	-176.8	-70.4	-133.9	82.6	0	0	113	E162 H166 Y333 D336 Y337 L340	E162-M164 HydrophobicContact CG-CG 4.41Å; E162-M164 WeakPolarHBondContact OE1-CE 3.34Å; M164-H166 PolarHBondContact O-N 3.27Å; M164-H166 VanDerWaalsContact O-N 3.16Å; M164-H166 PolarHBondContact O-ND1 2.98Å; M164-Y333 HydrophobicContact CE-CD2 4.46Å; M164-Y333 HydrophobicContact CE-CE2 4.45Å; M164-D336 HydrophobicContact CE-CB 3.21Å; M164-D336 HydrophobicContact SD-CB 3.52Å; M164-D336 VanDerWaalsContact SD-CB 3.52Å; M164-D336 VanDerWaalsContact SD-O 3.38Å; M164-Y337 PolarHBondContact SD-N 3.01Å; M164-Y337 VanDerWaalsContact SD-N 3.44Å; M164-L340 HydrophobicContact CB-CD2 3.98Å; M164-L340 HydrophobicContact CG-CB 4.16Å; M164-L340 HydrophobicContact CG-CD1 4.28Å; M164-L340 HydrophobicContact CG-CD2 3.86Å; M164-L340 HydrophobicContact CG-CG 4.32Å; M164-L340 HydrophobicContact SD-CB 4.19Å
165	W	73	Confident	80.4	Confident	71 Å²	71	43.3 Å²	43.3	27%	0.269	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	123.8	173.3	-74.9	102.1	0	0	0	110.9	S184 G186 L205 H206 H207 Y333	W165-S184 VanDerWaalsContact CH2-CB 3.43Å; W165-G186 VanDerWaalsContact CH2-O 3.29Å; W165-G186 WeakPolarHBondContact CH2-O 3Å; W165-L205 HydrophobicContact CB-CD1 4.06Å; W165-L205 HydrophobicContact CD2-CD1 4.44Å; W165-L205 HydrophobicContact CD2-CD2 4.47Å; W165-L205 HydrophobicContact CD2-CG 4.39Å; W165-L205 HydrophobicContact CE3-CD1 3.68Å; W165-L205 HydrophobicContact CE3-CD2 3.83Å; W165-L205 HydrophobicContact CE3-CG 3.42Å; W165-L205 VanDerWaalsContact CE3-CG 3.42Å; W165-L205 HydrophobicContact CZ3-CD1 4.49Å; W165-L205 HydrophobicContact CZ3-CD2 4.15Å; W165-L205 HydrophobicContact CZ3-CG 3.77Å; W165-H206 CarbonylContact C-O 3.48Å; W165-H206 VanDerWaalsContact CA-O 3.3Å; W165-H206 WeakPolarHBondContact CA-O 3.43Å; W165-H206 VanDerWaalsContact CE3-C 3.43Å; W165-H207 HydrophobicContact CB-CB 4.46Å; W165-H207 HydrophobicContact CD2-CB 3.3Å; W165-H207 VanDerWaalsContact CE2-CB 3.48Å; W165-H207 AromaticContact CE2-CG 3.93Å; W165-H207 HydrophobicContact CE3-CB 3.5Å; W165-H207 VanDerWaalsContact CE3-CB 3.5Å; W165-H207 HydrophobicContact CG-CB 3.74Å; W165-H207 HydrophobicContact CH2-CB 4.15Å; W165-H207 HydrophobicContact CZ2-CB 3.92Å; W165-H207 HydrophobicContact CZ3-CB 3.95Å; W165-H207 AromaticContact NE1-CG 3.87Å; W165-Y333 HydrophobicContact CB-CD2 4.31Å; W165-Y333 HydrophobicContact CB-CE2 3.65Å; W165-Y333 WeakPolarHBondContact O-CE2 3.41Å; W165-Y333 PolarHBondContact O-OH 3.2Å
166	H	71.5	Confident	81	Confident	39 Å²	39	42.8 Å²	42.8	18%	0.181	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	169.9	176.8	65.2	-65.4	0	0	0	110.3	L163 M164 L205 H206	L163-H166 VanDerWaalsContact CG-CE1 3.49Å; L163-H166 WeakPolarHBondContact CG-CE1 3.48Å; M164-H166 PolarHBondContact O-N 3.27Å; M164-H166 VanDerWaalsContact O-N 3.16Å; M164-H166 PolarHBondContact O-ND1 2.98Å; H166-L205 WeakPolarHBondContact O-CA 3.29Å; H166-L205 VanDerWaalsContact O-CD1 3.3Å; H166-L205 WeakPolarHBondContact O-CD1 3.46Å; H166-H206 AromaticContact CD2-NE2 3.89Å; H166-H206 AromaticContact CE1-CD2 3.57Å; H166-H206 AromaticContact CE1-CE1 3.99Å; H166-H206 AromaticContact CE1-NE2 3.21Å; H166-H206 PolarHBondContact CE1-NE2 2.88Å; H166-H206 PolarHBondContact N-O 3.36Å; H166-H206 PolarHBondContact ND1-O 2.94Å; H166-H206 AromaticContact NE2-CD2 3.93Å; H166-H206 AromaticContact NE2-CE1 3.67Å; H166-H206 AromaticContact NE2-NE2 3.09Å; H166-H206 PolarHBondContact NE2-NE2 3.23Å; H166-H206 PolarHBondContact O-N 2.99Å; H166-H206 PolarHBondContact O-ND1 3.43Å
167	W	76.6	Confident	81.6	Confident	41 Å²	41	43.3 Å²	43.3	16%	0.155	20%	0.202	C	C	.	.			trans	-148.3	153.7	177	73.2	-75.3	0	0	0	108	R203 Y302 N306	W167-R203 HydrophobicContact CE3-CB 3.98Å; W167-R203 HydrophobicContact CE3-CG 4.21Å; W167-R203 HydrophobicContact CZ3-CB 4.14Å; W167-R203 HydrophobicContact CZ3-CG 3.91Å; W167-Y302 HydrophobicContact CB-CD1 4.24Å; W167-Y302 HydrophobicContact CB-CE1 4.05Å; W167-Y302 AromaticContact CD2-CD1 3.96Å; W167-Y302 HydrophobicContact CD2-CD1 3.96Å; W167-Y302 HydrophobicContact CD2-CE1 4.48Å; W167-Y302 HydrophobicContact CE3-CD1 4.34Å; W167-Y302 AromaticContact CG-CD1 3.85Å; W167-Y302 HydrophobicContact CG-CD1 3.85Å; W167-Y302 HydrophobicContact CG-CE1 4.17Å; W167-N306 WeakPolarHBondContact CZ2-ND2 3.44Å; W167-N306 WeakPolarHBondContact CZ2-OD1 3.4Å
168	H	75	Confident	82.3	Confident	14 Å²	14	38.1 Å²	38.1	7%	0.065	19%	0.188	C	C	.	.			trans	-148.7	171.8	178.6	52	51.7	0	0	0	110.1	E170 Q172 R203 H206 D221	H168-E170 VanDerWaalsContact C-N 3.32Å; H168-E170 PolarHBondContact CE1-O 2.95Å; H168-E170 IonicContact CG-OE2 3.99Å; H168-E170 PolarHBondContact ND1-O 3.28Å; H168-Q172 PolarHBondContact NE2-OE1 3.1Å; H168-R203 WeakPolarHBondContact O-CA 3.43Å; H168-R203 PolarHBondContact O-N 2.73Å; H168-H206 AromaticContact NE2-CE1 3.58Å; H168-H206 AromaticContact NE2-NE2 3.97Å; H168-D221 IonicContact CD2-OD2 3.97Å; H168-D221 IonicContact NE2-OD1 2.57Å; H168-D221 IonicContact NE2-OD2 3.53Å
169	E	76.9	Confident	83.4	Confident	77 Å²	77	34.7 Å²	34.7	36%	0.36	17%	0.17	S	C	.	.	S	Bend	trans	-80.6	-20	-172.6	-75.1	-71.8	154.5	0	0	112	S202 R203	E169-S202 WeakPolarHBondContact O-CB 3.24Å; E169-S202 PolarHBondContact O-OG 3.44Å; E169-R203 IonicContact OE1-CZ 2.82Å; E169-R203 IonicContact OE1-NE 3.67Å; E169-R203 PolarHBondContact OE1-NE 2.57Å; E169-R203 IonicContact OE1-NH2 3.69Å; E169-R203 IonicContact OE2-CZ 2.63Å; E169-R203 IonicContact OE2-NE 2.61Å; E169-R203 PolarHBondContact OE2-NE 2.91Å; E169-R203 IonicContact OE2-NH1 2.79Å; E169-R203 IonicContact OE2-NH2 3.55Å; E169-R203 PolarHBondContact OE2-NH2 2.75Å
170	E	84.6	Confident	84.6	Confident	39 Å²	39	32.4 Å²	32.4	18%	0.182	16%	0.164	C	C	.	.	S	Bend	trans	-78.3	156.3	-176.5	-67.8	66.6	-148.1	0	0	112.2	H168 S202 D221 F222	H168-E170 VanDerWaalsContact C-N 3.32Å; H168-E170 PolarHBondContact CE1-O 2.95Å; H168-E170 IonicContact CG-OE2 3.99Å; H168-E170 PolarHBondContact ND1-O 3.28Å; E170-S202 WeakPolarHBondContact O-CA 3.5Å; E170-D221 HydrophobicContact CB-CB 4.1Å; E170-D221 HydrophobicContact CG-CB 4.47Å; E170-F222 WeakPolarHBondContact CA-O 3.37Å; E170-F222 WeakPolarHBondContact CB-O 3.38Å
171	F	90.5	Very high	85.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.1	158.9	-77.5	-94.4	0	0	0	108.3	I199 N201 D221 F222 I236 Q240 F245	F171-I199 HydrophobicContact CD1-CD1 4.32Å; F171-N201 HydrophobicContact CE1-CB 4.24Å; F171-N201 WeakPolarHBondContact CE1-OD1 3.13Å; F171-N201 WeakPolarHBondContact CZ-OD1 3.18Å; F171-D221 CarbonylContact O-C 3.52Å; F171-D221 VanDerWaalsContact O-CA 3.31Å; F171-D221 WeakPolarHBondContact O-CA 3.27Å; F171-F222 HydrophobicContact CB-CD1 4.11Å; F171-F222 HydrophobicContact CB-CD2 4.1Å; F171-F222 HydrophobicContact CB-CE1 3.58Å; F171-F222 HydrophobicContact CB-CE2 3.58Å; F171-F222 HydrophobicContact CB-CG 4.35Å; F171-F222 HydrophobicContact CB-CZ 3.3Å; F171-F222 HydrophobicContact CD2-CE2 4.23Å; F171-F222 HydrophobicContact CG-CE2 4.03Å; F171-F222 AromaticContact CG-CZ 3.99Å; F171-F222 HydrophobicContact CG-CZ 3.99Å; F171-F222 PolarHBondContact N-O 3.04Å; F171-F222 WeakPolarHBondContact O-CD1 3.3Å; F171-F222 PolarHBondContact O-N 3.29Å; F171-I236 HydrophobicContact CE2-CG2 3.8Å; F171-I236 HydrophobicContact CZ-CG2 4.19Å; F171-Q240 HydrophobicContact CE2-CB 4.21Å; F171-Q240 HydrophobicContact CE2-CG 4.11Å; F171-Q240 HydrophobicContact CZ-CB 3.76Å; F171-Q240 HydrophobicContact CZ-CG 3.93Å; F171-F245 HydrophobicContact CE1-CD1 4.48Å; F171-F245 HydrophobicContact CE1-CE1 4.05Å
172	Q	93.1	Very high	86.7	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.7	175.6	172.6	172.8	-35.9	0	0	110.9	H168 T174 I199 I200 H206 C219 I220 D221	H168-Q172 PolarHBondContact NE2-OE1 3.1Å; Q172-T174 PolarHBondContact NE2-OG1 2.94Å; Q172-T174 VanDerWaalsContact NE2-OG1 3.08Å; Q172-I199 CarbonylContact O-C 3.54Å; Q172-I199 VanDerWaalsContact O-CA 3.32Å; Q172-I199 WeakPolarHBondContact O-CA 3.28Å; Q172-I200 HydrophobicContact CB-CB 4.31Å; Q172-I200 HydrophobicContact CG-CD1 4.45Å; Q172-I200 PolarHBondContact N-O 3.46Å; Q172-I200 VanDerWaalsContact N-O 3.09Å; Q172-I200 PolarHBondContact O-N 3.11Å; Q172-H206 PolarHBondContact NE2-NE2 3.11Å; Q172-H206 PolarHBondContact OE1-CE1 3.17Å; Q172-H206 PolarHBondContact OE1-NE2 2.99Å; Q172-C219 PolarHBondContact NE2-SG 3.08Å; Q172-C219 VanDerWaalsContact NE2-SG 3.35Å; Q172-I220 WeakPolarHBondContact CA-O 3.47Å; Q172-D221 WeakPolarHBondContact CB-OD1 3.38Å; Q172-D221 WeakPolarHBondContact CG-OD1 3.44Å; Q172-D221 PolarHBondContact OE1-OD1 3.2Å
173	L	95.2	Very high	87.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.8	166.4	-80.9	163.4	0	0	0	108.9	F175 I198 I199 C219 I220 F222 L250 I279 C282	L173-F175 HydrophobicContact CB-CD2 4.43Å; L173-F175 HydrophobicContact CB-CE2 3.6Å; L173-F175 HydrophobicContact CB-CZ 3.8Å; L173-F175 HydrophobicContact CD1-CE2 4.41Å; L173-F175 HydrophobicContact CD1-CZ 4.13Å; L173-F175 HydrophobicContact CD2-CE1 4.28Å; L173-F175 HydrophobicContact CD2-CE2 4.46Å; L173-F175 HydrophobicContact CD2-CZ 3.77Å; L173-F175 HydrophobicContact CG-CE2 4.38Å; L173-F175 HydrophobicContact CG-CZ 4.12Å; L173-I198 WeakPolarHBondContact CA-O 3.46Å; L173-I199 HydrophobicContact CD2-CB 3.64Å; L173-I199 HydrophobicContact CD2-CD1 4.14Å; L173-I199 HydrophobicContact CD2-CG1 3.98Å; L173-I199 HydrophobicContact CG-CB 4.45Å; L173-I199 HydrophobicContact CG-CD1 4.4Å; L173-I199 HydrophobicContact CG-CG1 4.3Å; L173-C219 CarbonylContact O-C 3.59Å; L173-C219 VanDerWaalsContact O-CA 3.27Å; L173-C219 WeakPolarHBondContact O-CA 3.35Å; L173-I220 HydrophobicContact CB-CB 4.32Å; L173-I220 PolarHBondContact N-O 3.15Å; L173-I220 PolarHBondContact O-N 2.87Å; L173-F222 HydrophobicContact CD1-CD1 4.45Å; L173-F222 HydrophobicContact CD1-CE1 3.68Å; L173-F222 HydrophobicContact CD1-CZ 4.34Å; L173-F222 HydrophobicContact CG-CE1 3.91Å; L173-L250 HydrophobicContact CD2-CD1 3.46Å; L173-L250 VanDerWaalsContact CD2-CD1 3.46Å; L173-I279 HydrophobicContact CD1-CB 4.44Å; L173-I279 HydrophobicContact CD1-CG1 4.05Å; L173-C282 HydrophobicContact CD1-CB 4.31Å; L173-C282 HydrophobicContact CD2-CB 4.03Å
174	T	95.4	Very high	87.9	Confident	1 Å²	1	23 Å²	23	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130	173.9	-50.5	0	0	0	0	109.4	Q172 L181 L183 G197 I198 Y217 V218 C219	Q172-T174 PolarHBondContact NE2-OG1 2.94Å; Q172-T174 VanDerWaalsContact NE2-OG1 3.08Å; T174-L181 HydrophobicContact CG2-CD2 4Å; T174-L183 HydrophobicContact CG2-CD1 4.3Å; T174-G197 CarbonylContact O-C 3.56Å; T174-G197 WeakPolarHBondContact O-CA 3.39Å; T174-I198 PolarHBondContact N-O 2.61Å; T174-I198 PolarHBondContact O-N 2.81Å; T174-Y217 HydrophobicContact CG2-CD2 3.7Å; T174-Y217 HydrophobicContact CG2-CE2 4.38Å; T174-Y217 HydrophobicContact CG2-CG 4.22Å; T174-V218 CarbonylContact C-O 3.6Å; T174-V218 WeakPolarHBondContact CA-O 3.46Å; T174-C219 PolarHBondContact OG1-SG 2.96Å
175	F	95.9	Very high	88.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.6	178.4	-54	-77.4	0	0	0	110.9	L173 Y217 V218 I220 L250 L252 L260 L278	L173-F175 HydrophobicContact CB-CD2 4.43Å; L173-F175 HydrophobicContact CB-CE2 3.6Å; L173-F175 HydrophobicContact CB-CZ 3.8Å; L173-F175 HydrophobicContact CD1-CE2 4.41Å; L173-F175 HydrophobicContact CD1-CZ 4.13Å; L173-F175 HydrophobicContact CD2-CE1 4.28Å; L173-F175 HydrophobicContact CD2-CE2 4.46Å; L173-F175 HydrophobicContact CD2-CZ 3.77Å; L173-F175 HydrophobicContact CG-CE2 4.38Å; L173-F175 HydrophobicContact CG-CZ 4.12Å; F175-Y217 CarbonylContact O-C 3.52Å; F175-Y217 WeakPolarHBondContact O-CA 3.21Å; F175-Y217 WeakPolarHBondContact O-CB 2.9Å; F175-V218 PolarHBondContact N-O 2.85Å; F175-V218 PolarHBondContact O-N 3.46Å; F175-I220 HydrophobicContact CE2-CD1 4.15Å; F175-L250 HydrophobicContact CE1-CD1 4.27Å; F175-L252 HydrophobicContact CB-CD1 4.42Å; F175-L252 HydrophobicContact CD1-CD1 3.81Å; F175-L252 HydrophobicContact CD1-CD2 3.7Å; F175-L252 HydrophobicContact CD1-CG 4.06Å; F175-L252 HydrophobicContact CE1-CD2 3.62Å; F175-L252 HydrophobicContact CE1-CG 4.34Å; F175-L252 HydrophobicContact CG-CD1 4.49Å; F175-L260 HydrophobicContact CB-CD1 3.65Å; F175-L260 HydrophobicContact CB-CD2 3.98Å; F175-L260 HydrophobicContact CB-CG 4.48Å; F175-L260 HydrophobicContact CD1-CD1 3.82Å; F175-L260 HydrophobicContact CD2-CD1 4.01Å; F175-L260 HydrophobicContact CD2-CD2 3.4Å; F175-L260 VanDerWaalsContact CD2-CD2 3.4Å; F175-L260 HydrophobicContact CD2-CG 4.3Å; F175-L260 HydrophobicContact CE1-CD1 4.4Å; F175-L260 HydrophobicContact CE2-CD2 3.93Å; F175-L260 HydrophobicContact CG-CD1 3.56Å; F175-L260 HydrophobicContact CG-CD2 3.8Å; F175-L260 HydrophobicContact CG-CG 4.32Å; F175-L278 HydrophobicContact CE2-CD2 4.02Å; F175-L278 HydrophobicContact CE2-CG 4.46Å; F175-L278 HydrophobicContact CZ-CD1 4.16Å; F175-L278 HydrophobicContact CZ-CD2 4.32Å; F175-L278 HydrophobicContact CZ-CG 4.3Å
176	V	95.2	Very high	88.9	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.024	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.5	179.3	174.3	0	0	0	0	109.8	S178 L181 I192 K195 S196	V176-S178 WeakPolarHBondContact CG1-O 3.1Å; V176-L181 HydrophobicContact CG2-CB 3.75Å; V176-I192 HydrophobicContact CB-CG2 4.22Å; V176-I192 HydrophobicContact CG2-CB 3.86Å; V176-I192 HydrophobicContact CG2-CG2 3.6Å; V176-K195 PolarHBondContact O-N 2.96Å; V176-S196 PolarHBondContact N-O 3.29Å
177	L	92.8	Very high	89.1	Confident	46 Å²	46	25.8 Å²	25.8	24%	0.241	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.2	177.1	-60.3	-176.1	0	0	0	111.3	E216 V218 L260 A264	L177-E216 HydrophobicContact CB-CB 4.4Å; L177-E216 HydrophobicContact CB-CG 4.08Å; L177-E216 HydrophobicContact CD1-CG 4.07Å; L177-E216 PolarHBondContact N-O 2.6Å; L177-V218 HydrophobicContact CD1-CG2 3.82Å; L177-V218 HydrophobicContact CD2-CG2 4.44Å; L177-V218 HydrophobicContact CG-CG2 4.22Å; L177-L260 HydrophobicContact CD2-CB 4.43Å; L177-A264 HydrophobicContact CD1-CB 3.55Å
178	S	94.8	Very high	89.3	Confident	33 Å²	33	28.6 Å²	28.6	23%	0.231	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.9	175.9	71.9	0	0	0	0	112.2	V176 E194 E216	V176-S178 WeakPolarHBondContact CG1-O 3.1Å; S178-E194 VanDerWaalsContact CA-OE1 3.29Å; S178-E194 WeakPolarHBondContact CA-OE1 3.38Å; S178-E216 PolarHBondContact N-O 3.36Å; S178-E216 PolarHBondContact O-N 3.13Å; S178-E216 VanDerWaalsContact OG-CB 3.24Å; S178-E216 WeakPolarHBondContact OG-CB 3.44Å; S178-E216 PolarHBondContact OG-OE2 3.24Å
179	G	95.7	Very high	90.1	Very high	17 Å²	17	31.4 Å²	31.4	18%	0.175	17%	0.167	C	C	.	.	S	Bend	trans	82.2	-151.1	178.5	0	0	0	0	0	114.9	E194 T212	G179-E194 PolarHBondContact N-OE1 3.33Å; G179-E194 PolarHBondContact O-N 3.14Å; G179-T212 VanDerWaalsContact CA-OG1 3.32Å; G179-T212 WeakPolarHBondContact CA-OG1 3.4Å
180	T	97.1	Very high	90.8	Very high	21 Å²	21	30.7 Å²	30.7	13%	0.129	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.1	178.6	-62.8	0	0	0	0	110.6	Q191 I192 H193 L211 T212	T180-Q191 HydrophobicContact CG2-CB 4.47Å; T180-I192 WeakPolarHBondContact CA-O 3.32Å; T180-H193 VanDerWaalsContact CG2-ND1 3.27Å; T180-H193 WeakPolarHBondContact CG2-ND1 3.34Å; T180-H193 PolarHBondContact OG1-ND1 3.24Å; T180-L211 HydrophobicContact CG2-CB 4.03Å; T180-L211 HydrophobicContact CG2-CD1 3.89Å; T180-L211 HydrophobicContact CG2-CG 4.42Å; T180-L211 PolarHBondContact O-N 3.32Å; T180-T212 PolarHBondContact N-OG1 2.87Å
181	L	96.1	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.8	176.7	-165.5	75	0	0	0	109.1	L155 T174 V176 L183 I192 A208 A215 Y217	L155-L181 HydrophobicContact CD1-CD1 3.76Å; T174-L181 HydrophobicContact CG2-CD2 4Å; V176-L181 HydrophobicContact CG2-CB 3.75Å; L181-L183 HydrophobicContact CD2-CD1 4.16Å; L181-I192 PolarHBondContact N-O 2.87Å; L181-I192 PolarHBondContact O-N 2.89Å; L181-A208 HydrophobicContact CD1-CB 4.01Å; L181-A208 HydrophobicContact CD2-CB 3.88Å; L181-A208 HydrophobicContact CG-CB 3.97Å; L181-A215 HydrophobicContact CD1-CB 4.17Å; L181-Y217 HydrophobicContact CD1-CD1 4.08Å; L181-Y217 HydrophobicContact CD1-CE1 4.05Å; L181-Y217 HydrophobicContact CD2-CD1 4.18Å; L181-Y217 HydrophobicContact CD2-CE1 4.43Å; L181-Y217 HydrophobicContact CD2-CG 4.3Å
182	E	95.9	Very high	91.6	Very high	55 Å²	55	33.7 Å²	33.7	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.3	163.7	179.4	170.7	94.3	0	0	108.2	T189 Y190 A208 V209 L211	E182-T189 VanDerWaalsContact CD-CG2 3.41Å; E182-T189 HydrophobicContact CG-CG2 3.15Å; E182-Y190 CarbonylContact C-O 3.41Å; E182-Y190 WeakPolarHBondContact CA-O 3.35Å; E182-A208 CarbonylContact O-C 3.47Å; E182-A208 VanDerWaalsContact O-CA 3.24Å; E182-A208 WeakPolarHBondContact O-CA 3.3Å; E182-V209 HydrophobicContact CB-CG2 3.89Å; E182-V209 HydrophobicContact CG-CG2 4.37Å; E182-V209 PolarHBondContact N-O 3.28Å; E182-V209 PolarHBondContact O-N 3.39Å; E182-L211 HydrophobicContact CB-CD1 3.85Å; E182-L211 HydrophobicContact CB-CD2 3.95Å; E182-L211 HydrophobicContact CB-CG 3.65Å
183	L	93.1	Very high	91.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.3	-178.5	-165.6	145.5	0	0	0	109	T174 L181 V185 Y190 I192 I198 I200 H206 H207 A208	T174-L183 HydrophobicContact CG2-CD1 4.3Å; L181-L183 HydrophobicContact CD2-CD1 4.16Å; L183-V185 HydrophobicContact CD2-CG2 3.31Å; L183-Y190 PolarHBondContact N-O 3.03Å; L183-Y190 PolarHBondContact O-N 3.36Å; L183-I192 HydrophobicContact CB-CD1 3.87Å; L183-I192 HydrophobicContact CD1-CD1 4.09Å; L183-I198 HydrophobicContact CD1-CG2 4.07Å; L183-I198 HydrophobicContact CD2-CD1 4.22Å; L183-I198 HydrophobicContact CD2-CG2 4.32Å; L183-I200 HydrophobicContact CD1-CD1 4.2Å; L183-I200 HydrophobicContact CD2-CD1 3.69Å; L183-I200 HydrophobicContact CD2-CG1 4.46Å; L183-H206 HydrophobicContact CD2-CB 4.45Å; L183-H207 CarbonylContact C-O 3.54Å; L183-H207 WeakPolarHBondContact CA-O 3.24Å; L183-A208 HydrophobicContact CB-CB 4.38Å; L183-A208 HydrophobicContact CD1-CB 4.2Å; L183-A208 HydrophobicContact CG-CB 4.17Å
184	S	88.4	Confident	91.6	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.4	175.4	-62.4	0	0	0	0	109.6	W165 E188 T189 H206 H207	W165-S184 VanDerWaalsContact CH2-CB 3.43Å; S184-E188 CarbonylContact C-O 3.42Å; S184-E188 VanDerWaalsContact CA-O 3.31Å; S184-E188 WeakPolarHBondContact CA-O 3.32Å; S184-T189 PolarHBondContact OG-OG1 2.61Å; S184-T189 VanDerWaalsContact OG-OG1 3.06Å; S184-H206 CarbonylContact O-C 3.58Å; S184-H206 WeakPolarHBondContact O-CA 3.42Å; S184-H206 VanDerWaalsContact O-CB 3.26Å; S184-H206 WeakPolarHBondContact O-CB 3.49Å; S184-H207 PolarHBondContact N-O 3.29Å; S184-H207 PolarHBondContact O-N 2.95Å
185	V	85.7	Confident	91.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.9	172.1	-167.9	0	0	0	0	108.1	L183 K187 E188 Y190 I198 I200 R204 L205 H206 I246 C247	L183-V185 HydrophobicContact CD2-CG2 3.31Å; V185-K187 PolarHBondContact O-N 3.46Å; V185-K187 VanDerWaalsContact O-N 3.11Å; V185-E188 PolarHBondContact N-O 3.25Å; V185-E188 PolarHBondContact O-N 3.06Å; V185-E188 VanDerWaalsContact O-N 3.15Å; V185-Y190 HydrophobicContact CB-CE2 4.3Å; V185-Y190 HydrophobicContact CG2-CD2 4.36Å; V185-Y190 HydrophobicContact CG2-CE2 4.32Å; V185-I198 HydrophobicContact CG2-CD1 4.48Å; V185-I200 HydrophobicContact CG1-CG2 4.12Å; V185-I200 HydrophobicContact CG2-CD1 4.21Å; V185-I200 HydrophobicContact CG2-CG1 4.27Å; V185-R204 HydrophobicContact CG1-CB 3.93Å; V185-L205 CarbonylContact C-O 3.53Å; V185-L205 WeakPolarHBondContact CA-O 3.39Å; V185-H206 HydrophobicContact CG1-CB 4.42Å; V185-H206 HydrophobicContact CG2-CB 4.12Å; V185-I246 HydrophobicContact CB-CG2 4.2Å; V185-I246 HydrophobicContact CG1-CG2 3.4Å; V185-I246 VanDerWaalsContact CG1-CG2 3.4Å; V185-C247 HydrophobicContact CB-CB 4.48Å; V185-C247 HydrophobicContact CG1-CB 4.41Å; V185-C247 HydrophobicContact CG2-CB 4.05Å
186	G	77	Confident	91.1	Very high	18 Å²	18	49.9 Å²	49.9	19%	0.186	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-111	-171	0	0	0	0	0	111.9	W165 L205	W165-G186 VanDerWaalsContact CH2-O 3.29Å; W165-G186 WeakPolarHBondContact CH2-O 3Å; G186-L205 PolarHBondContact N-O 2.89Å
187	K	75.4	Confident	91	Very high	158 Å²	158	49.7 Å²	49.7	69%	0.687	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.7	-179	-65.6	178.3	-176.8	166.3	0	113.3	V185 D298	V185-K187 PolarHBondContact O-N 3.46Å; V185-K187 VanDerWaalsContact O-N 3.11Å; K187-D298 IonicContact NZ-OD2 2.65Å; K187-D298 PolarHBondContact NZ-OD2 3.46Å
188	E	82.4	Confident	91	Very high	101 Å²	101	47.5 Å²	47.5	47%	0.472	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147.5	-177.1	-60.6	-67.1	155.8	0	0	109.6	S184 V185 Y190	S184-E188 CarbonylContact C-O 3.42Å; S184-E188 VanDerWaalsContact CA-O 3.31Å; S184-E188 WeakPolarHBondContact CA-O 3.32Å; V185-E188 PolarHBondContact N-O 3.25Å; V185-E188 PolarHBondContact O-N 3.06Å; V185-E188 VanDerWaalsContact O-N 3.15Å; E188-Y190 HydrophobicContact CB-CE2 3.76Å; E188-Y190 WeakPolarHBondContact CB-OH 3.12Å
189	T	89.8	Confident	91	Very high	73 Å²	73	46 Å²	46	45%	0.448	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135	-176.9	-57.5	0	0	0	0	109.5	E182 S184	E182-T189 VanDerWaalsContact CD-CG2 3.41Å; E182-T189 HydrophobicContact CG-CG2 3.15Å; S184-T189 PolarHBondContact OG-OG1 2.61Å; S184-T189 VanDerWaalsContact OG-OG1 3.06Å
190	Y	93.2	Very high	90.7	Very high	61 Å²	61	45.1 Å²	45.1	24%	0.239	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136	-174	-56.6	-86.7	0	0	0	109.9	E182 L183 V185 E188 I198 C247 L249	E182-Y190 CarbonylContact C-O 3.41Å; E182-Y190 WeakPolarHBondContact CA-O 3.35Å; L183-Y190 PolarHBondContact N-O 3.03Å; L183-Y190 PolarHBondContact O-N 3.36Å; V185-Y190 HydrophobicContact CB-CE2 4.3Å; V185-Y190 HydrophobicContact CG2-CD2 4.36Å; V185-Y190 HydrophobicContact CG2-CE2 4.32Å; E188-Y190 HydrophobicContact CB-CE2 3.76Å; E188-Y190 WeakPolarHBondContact CB-OH 3.12Å; Y190-I198 HydrophobicContact CD2-CD1 3.99Å; Y190-I198 HydrophobicContact CG-CD1 4.02Å; Y190-C247 WeakPolarHBondContact CE2-SG 3.19Å; Y190-C247 PolarHBondContact OH-SG 2.74Å; Y190-L249 HydrophobicContact CD1-CD1 4.21Å; Y190-L249 HydrophobicContact CD1-CG 4.27Å
191	Q	95.7	Very high	90.3	Very high	102 Å²	102	44.3 Å²	44.3	48%	0.477	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126	170.7	-62.9	-173.2	5.2	0	0	109.2	T180 L211	T180-Q191 HydrophobicContact CG2-CB 4.47Å; Q191-L211 HydrophobicContact CB-CD1 4.45Å; Q191-L211 HydrophobicContact CG-CD1 3.63Å
192	I	95.3	Very high	89.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.7	179.4	-46.8	173.9	0	0	0	106.7	V176 T180 L181 L183 S196 I198 L249	V176-I192 HydrophobicContact CB-CG2 4.22Å; V176-I192 HydrophobicContact CG2-CB 3.86Å; V176-I192 HydrophobicContact CG2-CG2 3.6Å; T180-I192 WeakPolarHBondContact CA-O 3.32Å; L181-I192 PolarHBondContact N-O 2.87Å; L181-I192 PolarHBondContact O-N 2.89Å; L183-I192 HydrophobicContact CB-CD1 3.87Å; L183-I192 HydrophobicContact CD1-CD1 4.09Å; I192-S196 WeakPolarHBondContact CG2-OG 3.49Å; I192-I198 HydrophobicContact CD1-CB 3.64Å; I192-I198 HydrophobicContact CD1-CG2 3.37Å; I192-I198 HydrophobicContact CG1-CB 4.44Å; I192-L249 HydrophobicContact CG1-CD2 4.07Å
193	H	95.1	Very high	88.6	Confident	91 Å²	91	47.7 Å²	47.7	42%	0.421	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	170.7	-179.5	-52.8	-70.3	0	0	0	110.4	T180 K195 S196	T180-H193 VanDerWaalsContact CG2-ND1 3.27Å; T180-H193 WeakPolarHBondContact CG2-ND1 3.34Å; T180-H193 PolarHBondContact OG1-ND1 3.24Å; H193-K195 PolarHBondContact O-N 2.62Å; H193-S196 PolarHBondContact N-OG 2.94Å; H193-S196 PolarHBondContact O-N 3.4Å; H193-S196 PolarHBondContact O-OG 3.45Å
194	E	93.2	Very high	87.9	Confident	105 Å²	105	49.3 Å²	49.3	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	137.6	169.6	-76.1	-175.2	-171	0	0	113	S178 G179 S196	S178-E194 VanDerWaalsContact CA-OE1 3.29Å; S178-E194 WeakPolarHBondContact CA-OE1 3.38Å; G179-E194 PolarHBondContact N-OE1 3.33Å; G179-E194 PolarHBondContact O-N 3.14Å; E194-S196 PolarHBondContact O-N 3.17Å
195	K	87.5	Confident	87.3	Confident	125 Å²	125	49.3 Å²	49.3	54%	0.543	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	18.4	179.3	-50.5	172.5	-177.7	177.7	0	113.9	V176 H193 L252	V176-K195 PolarHBondContact O-N 2.96Å; H193-K195 PolarHBondContact O-N 2.62Å; K195-L252 WeakPolarHBondContact O-CB 3.33Å; K195-L252 PolarHBondContact O-N 3.39Å
196	S	92.8	Very high	87.1	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.161	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163.8	166	69.1	0	0	0	0	110.3	V176 I192 H193 E194 L250	V176-S196 PolarHBondContact N-O 3.29Å; I192-S196 WeakPolarHBondContact CG2-OG 3.49Å; H193-S196 PolarHBondContact N-OG 2.94Å; H193-S196 PolarHBondContact O-N 3.4Å; H193-S196 PolarHBondContact O-OG 3.45Å; E194-S196 PolarHBondContact O-N 3.17Å; S196-L250 WeakPolarHBondContact CA-O 3.4Å; S196-L250 WeakPolarHBondContact CB-O 2.89Å
197	G	94.1	Very high	87.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-180	176.1	0	0	0	0	0	111.7	T174 L249 L250	T174-G197 CarbonylContact O-C 3.56Å; T174-G197 WeakPolarHBondContact O-CA 3.39Å; G197-L249 WeakPolarHBondContact O-CA 3.4Å; G197-L250 PolarHBondContact N-O 2.6Å; G197-L250 PolarHBondContact O-N 2.73Å
198	I	93.7	Very high	88.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143	168.7	-159.9	174.6	0	0	0	108	L173 T174 L183 V185 Y190 I192 I200 C247 R248 L249	L173-I198 WeakPolarHBondContact CA-O 3.46Å; T174-I198 PolarHBondContact N-O 2.61Å; T174-I198 PolarHBondContact O-N 2.81Å; L183-I198 HydrophobicContact CD1-CG2 4.07Å; L183-I198 HydrophobicContact CD2-CD1 4.22Å; L183-I198 HydrophobicContact CD2-CG2 4.32Å; V185-I198 HydrophobicContact CG2-CD1 4.48Å; Y190-I198 HydrophobicContact CD2-CD1 3.99Å; Y190-I198 HydrophobicContact CG-CD1 4.02Å; I192-I198 HydrophobicContact CD1-CB 3.64Å; I192-I198 HydrophobicContact CD1-CG2 3.37Å; I192-I198 HydrophobicContact CG1-CB 4.44Å; I198-I200 HydrophobicContact CG2-CD1 4.37Å; I198-I200 HydrophobicContact CG2-CG1 4.09Å; I198-C247 HydrophobicContact CD1-CB 3.89Å; I198-C247 HydrophobicContact CG1-CB 4.16Å; I198-R248 WeakPolarHBondContact CA-O 3.47Å; I198-R248 VanDerWaalsContact CG1-O 3.3Å; I198-R248 WeakPolarHBondContact CG1-O 3.49Å; I198-L249 HydrophobicContact CB-CD2 4.27Å; I198-L249 HydrophobicContact CD1-CD2 4.27Å; I198-L249 HydrophobicContact CG1-CD2 4.2Å
199	I	93.4	Very high	88.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.7	160.9	-174.4	165.7	0	0	0	108.7	F171 Q172 L173 F222 F245 C247 R248 L250 L283 I286	F171-I199 HydrophobicContact CD1-CD1 4.32Å; Q172-I199 CarbonylContact O-C 3.54Å; Q172-I199 VanDerWaalsContact O-CA 3.32Å; Q172-I199 WeakPolarHBondContact O-CA 3.28Å; L173-I199 HydrophobicContact CD2-CB 3.64Å; L173-I199 HydrophobicContact CD2-CD1 4.14Å; L173-I199 HydrophobicContact CD2-CG1 3.98Å; L173-I199 HydrophobicContact CG-CB 4.45Å; L173-I199 HydrophobicContact CG-CD1 4.4Å; L173-I199 HydrophobicContact CG-CG1 4.3Å; I199-F222 HydrophobicContact CD1-CZ 4.38Å; I199-F245 HydrophobicContact CG1-CZ 4.37Å; I199-F245 HydrophobicContact CG2-CE2 4.3Å; I199-F245 HydrophobicContact CG2-CZ 3.73Å; I199-C247 CarbonylContact O-C 3.52Å; I199-C247 WeakPolarHBondContact O-CA 3.44Å; I199-C247 WeakPolarHBondContact O-CB 3.16Å; I199-R248 HydrophobicContact CG2-CB 3.89Å; I199-R248 WeakPolarHBondContact CG2-O 3.49Å; I199-R248 PolarHBondContact N-O 2.75Å; I199-R248 PolarHBondContact O-N 2.62Å; I199-L250 HydrophobicContact CB-CD1 4.19Å; I199-L250 HydrophobicContact CG2-CD1 4.35Å; I199-L250 HydrophobicContact CG2-CD2 4.3Å; I199-L250 HydrophobicContact CG2-CG 4.4Å; I199-L283 HydrophobicContact CD1-CD2 3.87Å; I199-I286 HydrophobicContact CB-CD1 4.29Å; I199-I286 HydrophobicContact CD1-CD1 3.5Å; I199-I286 HydrophobicContact CG1-CD1 4.36Å; I199-I286 HydrophobicContact CG2-CD1 3.56Å; I199-I286 HydrophobicContact CG2-CG1 4.14Å
200	I	90.8	Very high	88.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131	176.4	-51.9	175	0	0	0	106.6	Q172 L183 V185 I198 R204 H206 C247	Q172-I200 HydrophobicContact CB-CB 4.31Å; Q172-I200 HydrophobicContact CG-CD1 4.45Å; Q172-I200 PolarHBondContact N-O 3.46Å; Q172-I200 VanDerWaalsContact N-O 3.09Å; Q172-I200 PolarHBondContact O-N 3.11Å; L183-I200 HydrophobicContact CD1-CD1 4.2Å; L183-I200 HydrophobicContact CD2-CD1 3.69Å; L183-I200 HydrophobicContact CD2-CG1 4.46Å; V185-I200 HydrophobicContact CG1-CG2 4.12Å; V185-I200 HydrophobicContact CG2-CD1 4.21Å; V185-I200 HydrophobicContact CG2-CG1 4.27Å; I198-I200 HydrophobicContact CG2-CD1 4.37Å; I198-I200 HydrophobicContact CG2-CG1 4.09Å; I200-R204 HydrophobicContact CG2-CB 3.63Å; I200-R204 HydrophobicContact CG2-CG 4.23Å; I200-H206 HydrophobicContact CD1-CB 4.08Å; I200-C247 HydrophobicContact CG1-CB 4.33Å
201	N	88.1	Confident	88.6	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	16%	0.162	C	C	.	.			trans	-68.2	160.8	177.5	-163.5	-1.8	0	0	0	110.4	F171 R204 L239 Q240 F245 I246	F171-N201 HydrophobicContact CE1-CB 4.24Å; F171-N201 WeakPolarHBondContact CE1-OD1 3.13Å; F171-N201 WeakPolarHBondContact CZ-OD1 3.18Å; N201-R204 HydrophobicContact CB-CG 4.05Å; N201-R204 VanDerWaalsContact O-CG 3.25Å; N201-R204 WeakPolarHBondContact O-CG 3.37Å; N201-L239 PolarHBondContact ND2-O 2.94Å; N201-Q240 PolarHBondContact ND2-O 2.69Å; N201-F245 HydrophobicContact CB-CD1 3.82Å; N201-F245 HydrophobicContact CB-CE1 4.07Å; N201-F245 HydrophobicContact CB-CG 4.4Å; N201-F245 VanDerWaalsContact CB-O 3.24Å; N201-F245 WeakPolarHBondContact CB-O 3.04Å; N201-F245 PolarHBondContact ND2-O 3.43Å; N201-I246 WeakPolarHBondContact CB-O 3.33Å; N201-I246 PolarHBondContact N-O 3.44Å
202	S	81.9	Confident	88.5	Confident	8 Å²	8	32.3 Å²	32.3	6%	0.056	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	139.1	171.8	172.2	0	0	0	0	111.7	E169 E170 R204 Q240	E169-S202 WeakPolarHBondContact O-CB 3.24Å; E169-S202 PolarHBondContact O-OG 3.44Å; E170-S202 WeakPolarHBondContact O-CA 3.5Å; S202-R204 PolarHBondContact O-N 3.19Å; S202-Q240 PolarHBondContact OG-NE2 3.19Å; S202-Q240 VanDerWaalsContact OG-NE2 3.14Å
203	R	73.3	Confident	88.3	Confident	118 Å²	118	39 Å²	39	45%	0.445	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	38.9	177.5	-48.5	-176.6	-178.1	84.6	-3.2	115	W167 H168 E169 Y302	W167-R203 HydrophobicContact CE3-CB 3.98Å; W167-R203 HydrophobicContact CE3-CG 4.21Å; W167-R203 HydrophobicContact CZ3-CB 4.14Å; W167-R203 HydrophobicContact CZ3-CG 3.91Å; H168-R203 WeakPolarHBondContact O-CA 3.43Å; H168-R203 PolarHBondContact O-N 2.73Å; E169-R203 IonicContact OE1-CZ 2.82Å; E169-R203 IonicContact OE1-NE 3.67Å; E169-R203 PolarHBondContact OE1-NE 2.57Å; E169-R203 IonicContact OE1-NH2 3.69Å; E169-R203 IonicContact OE2-CZ 2.63Å; E169-R203 IonicContact OE2-NE 2.61Å; E169-R203 PolarHBondContact OE2-NE 2.91Å; E169-R203 IonicContact OE2-NH1 2.79Å; E169-R203 IonicContact OE2-NH2 3.55Å; E169-R203 PolarHBondContact OE2-NH2 2.75Å; R203-Y302 WeakPolarHBondContact O-CE1 3.44Å; R203-Y302 PolarHBondContact O-OH 2.94Å
204	R	78.7	Confident	88.2	Confident	36 Å²	36	37.6 Å²	37.6	14%	0.136	18%	0.182	C	C	.	.			trans	-104.3	130.6	174.3	-59.8	-59.1	-179.4	179.9	0.6	111.3	V185 I200 N201 S202 H206 F245 I246 E297 Y302	V185-R204 HydrophobicContact CG1-CB 3.93Å; I200-R204 HydrophobicContact CG2-CB 3.63Å; I200-R204 HydrophobicContact CG2-CG 4.23Å; N201-R204 HydrophobicContact CB-CG 4.05Å; N201-R204 VanDerWaalsContact O-CG 3.25Å; N201-R204 WeakPolarHBondContact O-CG 3.37Å; S202-R204 PolarHBondContact O-N 3.19Å; R204-H206 PolarHBondContact O-N 3.4Å; R204-H206 PolarHBondContact O-ND1 3.29Å; R204-F245 PolarHBondContact NH2-O 3.39Å; R204-I246 HydrophobicContact CG-CG2 4.41Å; R204-E297 VanDerWaalsContact CD-OE2 3.23Å; R204-E297 WeakPolarHBondContact CD-OE2 3.5Å; R204-E297 IonicContact CZ-OE2 2.84Å; R204-E297 IonicContact NE-OE2 2.7Å; R204-E297 IonicContact NH1-OE2 2.66Å; R204-E297 PolarHBondContact NH1-OE2 2.9Å; R204-Y302 WeakPolarHBondContact CA-OH 3.46Å
205	L	75.4	Confident	88.2	Confident	11 Å²	11	32.6 Å²	32.6	6%	0.058	16%	0.159	C	C	.	.			trans	-69.6	125.6	173.5	176.6	59.5	0	0	0	109.4	W165 H166 V185 G186 I301 Y302 L305	W165-L205 HydrophobicContact CB-CD1 4.06Å; W165-L205 HydrophobicContact CD2-CD1 4.44Å; W165-L205 HydrophobicContact CD2-CD2 4.47Å; W165-L205 HydrophobicContact CD2-CG 4.39Å; W165-L205 HydrophobicContact CE3-CD1 3.68Å; W165-L205 HydrophobicContact CE3-CD2 3.83Å; W165-L205 HydrophobicContact CE3-CG 3.42Å; W165-L205 VanDerWaalsContact CE3-CG 3.42Å; W165-L205 HydrophobicContact CZ3-CD1 4.49Å; W165-L205 HydrophobicContact CZ3-CD2 4.15Å; W165-L205 HydrophobicContact CZ3-CG 3.77Å; H166-L205 WeakPolarHBondContact O-CA 3.29Å; H166-L205 VanDerWaalsContact O-CD1 3.3Å; H166-L205 WeakPolarHBondContact O-CD1 3.46Å; V185-L205 CarbonylContact C-O 3.53Å; V185-L205 WeakPolarHBondContact CA-O 3.39Å; G186-L205 PolarHBondContact N-O 2.89Å; L205-I301 HydrophobicContact CD2-CG2 3.42Å; L205-I301 VanDerWaalsContact CD2-CG2 3.42Å; L205-Y302 HydrophobicContact CB-CE1 3.87Å; L205-Y302 PolarHBondContact N-OH 3.26Å; L205-L305 HydrophobicContact CD1-CD1 3.12Å; L205-L305 HydrophobicContact CD2-CD1 3.61Å; L205-L305 HydrophobicContact CG-CD1 3.91Å
206	H	83.2	Confident	88.6	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.8	179.3	61.8	-81	0	0	0	113.5	W165 H166 H168 Q172 L183 S184 V185 I200 R204	W165-H206 CarbonylContact C-O 3.48Å; W165-H206 VanDerWaalsContact CA-O 3.3Å; W165-H206 WeakPolarHBondContact CA-O 3.43Å; W165-H206 VanDerWaalsContact CE3-C 3.43Å; H166-H206 AromaticContact CD2-NE2 3.89Å; H166-H206 AromaticContact CE1-CD2 3.57Å; H166-H206 AromaticContact CE1-CE1 3.99Å; H166-H206 AromaticContact CE1-NE2 3.21Å; H166-H206 PolarHBondContact CE1-NE2 2.88Å; H166-H206 PolarHBondContact N-O 3.36Å; H166-H206 PolarHBondContact ND1-O 2.94Å; H166-H206 AromaticContact NE2-CD2 3.93Å; H166-H206 AromaticContact NE2-CE1 3.67Å; H166-H206 AromaticContact NE2-NE2 3.09Å; H166-H206 PolarHBondContact NE2-NE2 3.23Å; H166-H206 PolarHBondContact O-N 2.99Å; H166-H206 PolarHBondContact O-ND1 3.43Å; H168-H206 AromaticContact NE2-CE1 3.58Å; H168-H206 AromaticContact NE2-NE2 3.97Å; Q172-H206 PolarHBondContact NE2-NE2 3.11Å; Q172-H206 PolarHBondContact OE1-CE1 3.17Å; Q172-H206 PolarHBondContact OE1-NE2 2.99Å; L183-H206 HydrophobicContact CD2-CB 4.45Å; S184-H206 CarbonylContact O-C 3.58Å; S184-H206 WeakPolarHBondContact O-CA 3.42Å; S184-H206 VanDerWaalsContact O-CB 3.26Å; S184-H206 WeakPolarHBondContact O-CB 3.49Å; V185-H206 HydrophobicContact CG1-CB 4.42Å; V185-H206 HydrophobicContact CG2-CB 4.12Å; I200-H206 HydrophobicContact CD1-CB 4.08Å; R204-H206 PolarHBondContact O-N 3.4Å; R204-H206 PolarHBondContact O-ND1 3.29Å
207	H	84	Confident	88.6	Confident	21 Å²	21	28 Å²	28	10%	0.097	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.6	-175.6	159.7	-98	0	0	0	108.8	E162 L163 W165 L183 S184 V209	E162-H207 IonicContact OE2-CD2 3.86Å; E162-H207 IonicContact OE2-CE1 3.65Å; E162-H207 IonicContact OE2-NE2 2.7Å; E162-H207 PolarHBondContact OE2-NE2 3.32Å; L163-H207 WeakPolarHBondContact O-CA 3.4Å; L163-H207 PolarHBondContact O-CD2 3.27Å; W165-H207 HydrophobicContact CB-CB 4.46Å; W165-H207 HydrophobicContact CD2-CB 3.3Å; W165-H207 VanDerWaalsContact CE2-CB 3.48Å; W165-H207 AromaticContact CE2-CG 3.93Å; W165-H207 HydrophobicContact CE3-CB 3.5Å; W165-H207 VanDerWaalsContact CE3-CB 3.5Å; W165-H207 HydrophobicContact CG-CB 3.74Å; W165-H207 HydrophobicContact CH2-CB 4.15Å; W165-H207 HydrophobicContact CZ2-CB 3.92Å; W165-H207 HydrophobicContact CZ3-CB 3.95Å; W165-H207 AromaticContact NE1-CG 3.87Å; L183-H207 CarbonylContact C-O 3.54Å; L183-H207 WeakPolarHBondContact CA-O 3.24Å; S184-H207 PolarHBondContact N-O 3.29Å; S184-H207 PolarHBondContact O-N 2.95Å; H207-V209 WeakPolarHBondContact CE1-CG1 3.34Å
208	A	89.1	Confident	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.5	176.8	0	0	0	0	0	113.6	L163 L181 E182 L183	L163-A208 HydrophobicContact CB-CB 4.03Å; L163-A208 HydrophobicContact CD2-CB 4.27Å; L163-A208 PolarHBondContact N-O 2.74Å; L163-A208 PolarHBondContact O-N 2.94Å; L181-A208 HydrophobicContact CD1-CB 4.01Å; L181-A208 HydrophobicContact CD2-CB 3.88Å; L181-A208 HydrophobicContact CG-CB 3.97Å; E182-A208 CarbonylContact O-C 3.47Å; E182-A208 VanDerWaalsContact O-CA 3.24Å; E182-A208 WeakPolarHBondContact O-CA 3.3Å; L183-A208 HydrophobicContact CB-CB 4.38Å; L183-A208 HydrophobicContact CD1-CB 4.2Å; L183-A208 HydrophobicContact CG-CB 4.17Å
209	V	87.6	Confident	88.5	Confident	30 Å²	30	28.3 Å²	28.3	18%	0.182	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149	175.7	-69.2	0	0	0	0	111.1	E162 E182 H207	E162-V209 HydrophobicContact CB-CG1 3.65Å; E182-V209 HydrophobicContact CB-CG2 3.89Å; E182-V209 HydrophobicContact CG-CG2 4.37Å; E182-V209 PolarHBondContact N-O 3.28Å; E182-V209 PolarHBondContact O-N 3.39Å; H207-V209 WeakPolarHBondContact CE1-CG1 3.34Å
210	P	92.7	Very high	88.5	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.7	172.4	30.4	-33.3	0	0	0	111	L155 R157 D161 A215	L155-P210 HydrophobicContact CB-CB 4.1Å; L155-P210 HydrophobicContact CB-CG 3.86Å; R157-P210 HydrophobicContact CB-CB 4.28Å; R157-P210 HydrophobicContact CB-CG 3.8Å; R157-P210 HydrophobicContact CG-CG 4.43Å; D161-P210 WeakPolarHBondContact O-CD 3.31Å; P210-A215 HydrophobicContact CB-CB 3.77Å
211	L	94.5	Very high	88.5	Confident	49 Å²	49	28.6 Å²	28.6	26%	0.257	14%	0.14	S	C	.	.	S	Bend	trans	-89.6	-32.4	169	-72.2	-177.8	0	0	0	112.3	R157 T180 E182 Q191	R157-L211 PolarHBondContact NH1-O 3.42Å; T180-L211 HydrophobicContact CG2-CB 4.03Å; T180-L211 HydrophobicContact CG2-CD1 3.89Å; T180-L211 HydrophobicContact CG2-CG 4.42Å; T180-L211 PolarHBondContact O-N 3.32Å; E182-L211 HydrophobicContact CB-CD1 3.85Å; E182-L211 HydrophobicContact CB-CD2 3.95Å; E182-L211 HydrophobicContact CB-CG 3.65Å; Q191-L211 HydrophobicContact CB-CD1 4.45Å; Q191-L211 HydrophobicContact CG-CD1 3.63Å
212	T	94.6	Very high	88.7	Confident	49 Å²	49	28.4 Å²	28.4	30%	0.301	14%	0.14	S	C	.	.	S	Bend	trans	-81.9	174.6	169.6	43.3	0	0	0	0	111	R157 G179 T180 T214	R157-T212 WeakPolarHBondContact CB-O 3.46Å; G179-T212 VanDerWaalsContact CA-OG1 3.32Å; G179-T212 WeakPolarHBondContact CA-OG1 3.4Å; T180-T212 PolarHBondContact N-OG1 2.87Å; T212-T214 VanDerWaalsContact C-N 3.31Å; T212-T214 WeakPolarHBondContact CB-O 3.49Å; T212-T214 PolarHBondContact O-N 2.67Å; T212-T214 PolarHBondContact OG1-O 3.12Å
213	E	91	Very high	89	Confident	142 Å²	142	29.1 Å²	29.1	66%	0.664	14%	0.144	S	C	*	.	S	Bend	trans	-57.2	-46.6	176.3	-174.2	173.8	-178.6	0	0	111.1	R157 T158	R157-E213 WeakPolarHBondContact CB-O 3.16Å; R157-E213 PolarHBondContact N-O 2.85Å; T158-E213 HydrophobicContact CG2-CG 4.05Å
214	T	92.7	Very high	89.4	Confident	60 Å²	60	24.1 Å²	24.1	37%	0.368	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.2	168.4	55.9	0	0	0	0	110.2	L155 D156 T212	L155-T214 CarbonylContact O-C 3.5Å; L155-T214 VanDerWaalsContact O-CA 3.29Å; L155-T214 WeakPolarHBondContact O-CA 3.09Å; D156-T214 HydrophobicContact CB-CG2 4.46Å; T212-T214 VanDerWaalsContact C-N 3.31Å; T212-T214 WeakPolarHBondContact CB-O 3.49Å; T212-T214 PolarHBondContact O-N 2.67Å; T212-T214 PolarHBondContact OG1-O 3.12Å
215	A	93.8	Very high	89.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.5	169.6	0	0	0	0	0	109.3	I154 L155 L181 P210	I154-A215 WeakPolarHBondContact CA-O 3.5Å; L155-A215 PolarHBondContact N-O 2.65Å; L155-A215 PolarHBondContact O-N 3.45Å; L181-A215 HydrophobicContact CD1-CB 4.17Å; P210-A215 HydrophobicContact CB-CB 3.77Å
216	E	94.1	Very high	90.2	Very high	49 Å²	49	26.6 Å²	26.6	23%	0.229	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.3	178.1	-176.9	-177.6	-170.4	0	0	109.6	H152 R153 I154 L177 S178	H152-E216 IonicContact CD2-OE1 3.78Å; H152-E216 IonicContact CE1-OE1 3.89Å; H152-E216 PolarHBondContact CE1-OE1 3.29Å; H152-E216 IonicContact NE2-OE1 3.71Å; H152-E216 PolarHBondContact NE2-OE1 3.13Å; R153-E216 WeakPolarHBondContact O-CA 3.32Å; I154-E216 HydrophobicContact CG1-CB 4.2Å; I154-E216 HydrophobicContact CG1-CG 3.89Å; L177-E216 HydrophobicContact CB-CB 4.4Å; L177-E216 HydrophobicContact CB-CG 4.08Å; L177-E216 HydrophobicContact CD1-CG 4.07Å; L177-E216 PolarHBondContact N-O 2.6Å; S178-E216 PolarHBondContact N-O 3.36Å; S178-E216 PolarHBondContact O-N 3.13Å; S178-E216 VanDerWaalsContact OG-CB 3.24Å; S178-E216 WeakPolarHBondContact OG-CB 3.44Å; S178-E216 PolarHBondContact OG-OE2 3.24Å
217	Y	94.1	Very high	90.2	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.5	-178.7	66.5	-87.2	0	0	0	112.8	R153 L155 T174 F175 L181	R153-Y217 HydrophobicContact CB-CD1 4.25Å; R153-Y217 HydrophobicContact CB-CD2 4.31Å; R153-Y217 HydrophobicContact CB-CE1 3.69Å; R153-Y217 HydrophobicContact CB-CE2 3.76Å; R153-Y217 VanDerWaalsContact CB-CZ 3.41Å; R153-Y217 HydrophobicContact CG-CE2 4.05Å; R153-Y217 PolarHBondContact N-O 3.31Å; R153-Y217 PolarHBondContact O-N 2.9Å; L155-Y217 HydrophobicContact CD1-CE1 3.7Å; L155-Y217 HydrophobicContact CG-CE1 3.81Å; T174-Y217 HydrophobicContact CG2-CD2 3.7Å; T174-Y217 HydrophobicContact CG2-CE2 4.38Å; T174-Y217 HydrophobicContact CG2-CG 4.22Å; F175-Y217 CarbonylContact O-C 3.52Å; F175-Y217 WeakPolarHBondContact O-CA 3.21Å; F175-Y217 WeakPolarHBondContact O-CB 2.9Å; L181-Y217 HydrophobicContact CD1-CD1 4.08Å; L181-Y217 HydrophobicContact CD1-CE1 4.05Å; L181-Y217 HydrophobicContact CD2-CD1 4.18Å; L181-Y217 HydrophobicContact CD2-CE1 4.43Å; L181-Y217 HydrophobicContact CD2-CG 4.3Å
218	V	92.9	Very high	90.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.2	170.7	174.1	0	0	0	0	108.5	I150 Y151 T174 F175 L177 I220 L260 I263	I150-V218 HydrophobicContact CG2-CG1 3.92Å; Y151-V218 CarbonylContact O-C 3.55Å; Y151-V218 VanDerWaalsContact O-CA 3.29Å; Y151-V218 WeakPolarHBondContact O-CA 3.49Å; T174-V218 CarbonylContact C-O 3.6Å; T174-V218 WeakPolarHBondContact CA-O 3.46Å; F175-V218 PolarHBondContact N-O 2.85Å; F175-V218 PolarHBondContact O-N 3.46Å; L177-V218 HydrophobicContact CD1-CG2 3.82Å; L177-V218 HydrophobicContact CD2-CG2 4.44Å; L177-V218 HydrophobicContact CG-CG2 4.22Å; V218-I220 HydrophobicContact CG1-CG1 4.12Å; V218-L260 HydrophobicContact CB-CD2 4.46Å; V218-L260 HydrophobicContact CG1-CD2 4.45Å; V218-I263 HydrophobicContact CG1-CG2 4.12Å
219	C	92.8	Very high	90.3	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.6	165.8	-83.8	0	0	0	0	110.1	I150 Y151 Q172 L173 T174	I150-C219 CarbonylContact C-O 3.58Å; I150-C219 WeakPolarHBondContact CA-O 3.49Å; Y151-C219 HydrophobicContact CD2-CB 4.29Å; Y151-C219 PolarHBondContact N-O 3.49Å; Y151-C219 PolarHBondContact O-N 3.07Å; Q172-C219 PolarHBondContact NE2-SG 3.08Å; Q172-C219 VanDerWaalsContact NE2-SG 3.35Å; L173-C219 CarbonylContact O-C 3.59Å; L173-C219 VanDerWaalsContact O-CA 3.27Å; L173-C219 WeakPolarHBondContact O-CA 3.35Å; T174-C219 PolarHBondContact OG1-SG 2.96Å
220	I	93.5	Very high	90.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.1	170.3	-54.1	178.7	0	0	0	107.1	A149 I150 Q172 L173 F175 V218 F222 I263 L278 I279	A149-I220 CarbonylContact O-C 3.52Å; A149-I220 WeakPolarHBondContact O-CA 3.41Å; I150-I220 HydrophobicContact CG1-CG1 4.31Å; I150-I220 HydrophobicContact CG1-CG2 4.35Å; I150-I220 HydrophobicContact CG2-CG1 4.39Å; Q172-I220 WeakPolarHBondContact CA-O 3.47Å; L173-I220 HydrophobicContact CB-CB 4.32Å; L173-I220 PolarHBondContact N-O 3.15Å; L173-I220 PolarHBondContact O-N 2.87Å; F175-I220 HydrophobicContact CE2-CD1 4.15Å; V218-I220 HydrophobicContact CG1-CG1 4.12Å; I220-F222 HydrophobicContact CG2-CD1 4.44Å; I220-I263 HydrophobicContact CD1-CD1 4.3Å; I220-L278 HydrophobicContact CD1-CD2 3.74Å; I220-I279 HydrophobicContact CG2-CD1 4.07Å; I220-I279 HydrophobicContact CG2-CG1 4.39Å
221	D	91.1	Very high	89.9	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.6	174.8	-61.1	-14.4	0	0	0	107.4	H141 L148 A149 Y151 H168 E170 F171 Q172	H141-D221 IonicContact ND1-OD2 2.57Å; L148-D221 CarbonylContact C-O 3.53Å; L148-D221 WeakPolarHBondContact CA-O 3.49Å; L148-D221 WeakPolarHBondContact CB-O 3.29Å; A149-D221 PolarHBondContact N-O 2.8Å; A149-D221 PolarHBondContact O-N 3.37Å; Y151-D221 VanDerWaalsContact CE2-OD2 3.31Å; Y151-D221 WeakPolarHBondContact CE2-OD2 3.29Å; H168-D221 IonicContact CD2-OD2 3.97Å; H168-D221 IonicContact NE2-OD1 2.57Å; H168-D221 IonicContact NE2-OD2 3.53Å; E170-D221 HydrophobicContact CB-CB 4.1Å; E170-D221 HydrophobicContact CG-CB 4.47Å; F171-D221 CarbonylContact O-C 3.52Å; F171-D221 VanDerWaalsContact O-CA 3.31Å; F171-D221 WeakPolarHBondContact O-CA 3.27Å; Q172-D221 WeakPolarHBondContact CB-OD1 3.38Å; Q172-D221 WeakPolarHBondContact CG-OD1 3.44Å; Q172-D221 PolarHBondContact OE1-OD1 3.2Å
222	F	91.4	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.1	-178	62.2	-82.9	0	0	0	111.7	L148 E170 F171 L173 I199 I220 F226 I279 L283	L148-F222 HydrophobicContact CB-CB 3.91Å; E170-F222 WeakPolarHBondContact CA-O 3.37Å; E170-F222 WeakPolarHBondContact CB-O 3.38Å; F171-F222 HydrophobicContact CB-CD1 4.11Å; F171-F222 HydrophobicContact CB-CD2 4.1Å; F171-F222 HydrophobicContact CB-CE1 3.58Å; F171-F222 HydrophobicContact CB-CE2 3.58Å; F171-F222 HydrophobicContact CB-CG 4.35Å; F171-F222 HydrophobicContact CB-CZ 3.3Å; F171-F222 HydrophobicContact CD2-CE2 4.23Å; F171-F222 HydrophobicContact CG-CE2 4.03Å; F171-F222 AromaticContact CG-CZ 3.99Å; F171-F222 HydrophobicContact CG-CZ 3.99Å; F171-F222 PolarHBondContact N-O 3.04Å; F171-F222 WeakPolarHBondContact O-CD1 3.3Å; F171-F222 PolarHBondContact O-N 3.29Å; L173-F222 HydrophobicContact CD1-CD1 4.45Å; L173-F222 HydrophobicContact CD1-CE1 3.68Å; L173-F222 HydrophobicContact CD1-CZ 4.34Å; L173-F222 HydrophobicContact CG-CE1 3.91Å; I199-F222 HydrophobicContact CD1-CZ 4.38Å; I220-F222 HydrophobicContact CG2-CD1 4.44Å; F222-F226 AromaticContact CD2-CD1 3.72Å; F222-F226 HydrophobicContact CD2-CD1 3.72Å; F222-F226 AromaticContact CD2-CE1 3.86Å; F222-F226 HydrophobicContact CD2-CE1 3.86Å; F222-F226 HydrophobicContact CD2-CG 4.17Å; F222-F226 HydrophobicContact CD2-CZ 4.44Å; F222-F226 HydrophobicContact CE2-CD1 4.2Å; F222-F226 AromaticContact CE2-CE1 3.89Å; F222-F226 HydrophobicContact CE2-CE1 3.89Å; F222-F226 HydrophobicContact CE2-CZ 4.43Å; F222-I279 HydrophobicContact CB-CD1 4.19Å; F222-I279 HydrophobicContact CD1-CD1 4.19Å; F222-I279 HydrophobicContact CD1-CG1 4.34Å; F222-I279 HydrophobicContact CD1-CG2 4.32Å; F222-I279 HydrophobicContact CD2-CG2 4Å; F222-I279 HydrophobicContact CE1-CG2 4.06Å; F222-I279 HydrophobicContact CE2-CG2 3.71Å; F222-I279 HydrophobicContact CG-CD1 4.12Å; F222-I279 HydrophobicContact CG-CG2 4.29Å; F222-I279 HydrophobicContact CZ-CG2 3.73Å; F222-L283 HydrophobicContact CE2-CD1 4.3Å; F222-L283 HydrophobicContact CZ-CD2 4.45Å
223	S	87.6	Confident	89.1	Confident	22 Å²	22	46.1 Å²	46.1	15%	0.154	23%	0.229	C	C	.	.			trans	-60.5	143.5	177.3	-175.3	0	0	0	0	110.5	P147 H225 F226	P147-S223 PolarHBondContact O-N 2.85Å; S223-H225 PolarHBondContact O-N 3.24Å; S223-H225 VanDerWaalsContact O-N 3.1Å; S223-H225 PolarHBondContact OG-N 2.79Å; S223-F226 VanDerWaalsContact O-CB 3.32Å; S223-F226 WeakPolarHBondContact O-CB 3.47Å; S223-F226 WeakPolarHBondContact O-CD1 3.41Å; S223-F226 PolarHBondContact O-N 3.21Å
224	S	83.4	Confident	88.8	Confident	13 Å²	13	42.9 Å²	42.9	9%	0.091	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.2	168.3	50.5	0	0	0	0	113	Y232	S224-Y232 WeakPolarHBondContact O-CD2 3.46Å
225	H	84	Confident	88.4	Confident	90 Å²	90	43.1 Å²	43.1	42%	0.417	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	29.5	179.8	-60.5	69	0	0	0	112.5	S223 L227 E229 Y232	S223-H225 PolarHBondContact O-N 3.24Å; S223-H225 VanDerWaalsContact O-N 3.1Å; S223-H225 PolarHBondContact OG-N 2.79Å; H225-L227 PolarHBondContact O-N 3Å; H225-E229 IonicContact CD2-OE2 3.94Å; H225-Y232 AromaticContact CD2-CD1 4Å; H225-Y232 AromaticContact CE1-CE1 3.79Å; H225-Y232 AromaticContact CE1-CZ 3.68Å; H225-Y232 AromaticContact NE2-CD1 3.73Å; H225-Y232 AromaticContact NE2-CE1 3.46Å; H225-Y232 WeakPolarHBondContact NE2-CE1 3.48Å; H225-Y232 AromaticContact NE2-CZ 3.85Å
226	F	86.6	Confident	88.1	Confident	10 Å²	10	43.2 Å²	43.2	4%	0.044	22%	0.224	C	C	.	.	S	Bend	trans	-68.8	-16.3	177	80.7	-73.9	0	0	0	114	P147 F222 S223 I236 Y276 I279 L280 L283	P147-F226 HydrophobicContact CB-CB 4.32Å; P147-F226 HydrophobicContact CG-CB 3.8Å; F222-F226 AromaticContact CD2-CD1 3.72Å; F222-F226 HydrophobicContact CD2-CD1 3.72Å; F222-F226 AromaticContact CD2-CE1 3.86Å; F222-F226 HydrophobicContact CD2-CE1 3.86Å; F222-F226 HydrophobicContact CD2-CG 4.17Å; F222-F226 HydrophobicContact CD2-CZ 4.44Å; F222-F226 HydrophobicContact CE2-CD1 4.2Å; F222-F226 AromaticContact CE2-CE1 3.89Å; F222-F226 HydrophobicContact CE2-CE1 3.89Å; F222-F226 HydrophobicContact CE2-CZ 4.43Å; S223-F226 VanDerWaalsContact O-CB 3.32Å; S223-F226 WeakPolarHBondContact O-CB 3.47Å; S223-F226 WeakPolarHBondContact O-CD1 3.41Å; S223-F226 PolarHBondContact O-N 3.21Å; F226-I236 HydrophobicContact CE1-CD1 4.05Å; F226-I236 HydrophobicContact CE1-CG1 4.33Å; F226-Y276 HydrophobicContact CD2-CD1 4.02Å; F226-Y276 AromaticContact CD2-CE1 3.7Å; F226-Y276 HydrophobicContact CD2-CE1 3.7Å; F226-Y276 HydrophobicContact CE2-CD1 4.18Å; F226-Y276 HydrophobicContact CE2-CE1 4.31Å; F226-I279 HydrophobicContact CE1-CG2 4.33Å; F226-I279 HydrophobicContact CE2-CB 4.48Å; F226-I279 HydrophobicContact CE2-CG2 3.78Å; F226-I279 HydrophobicContact CZ-CG2 3.59Å; F226-L280 HydrophobicContact CE2-CD2 4.46Å; F226-L280 HydrophobicContact CZ-CD2 4.24Å; F226-L283 HydrophobicContact CE1-CD1 4.05Å; F226-L283 HydrophobicContact CZ-CD1 3.79Å
227	L	83.7	Confident	87.6	Confident	34 Å²	34	44 Å²	44	18%	0.178	23%	0.227	C	C	.	.	S	Bend	trans	-108.7	174.8	173.6	-62.9	171.5	0	0	0	110.3	H225 L231 Y276 L280	H225-L227 PolarHBondContact O-N 3Å; L227-L231 HydrophobicContact CB-CB 4.05Å; L227-L231 HydrophobicContact CB-CD1 4.32Å; L227-L231 HydrophobicContact CD1-CB 4.14Å; L227-L231 HydrophobicContact CD1-CD1 4.21Å; L227-Y276 HydrophobicContact CD2-CD1 4.29Å; L227-Y276 HydrophobicContact CD2-CE1 4.36Å; L227-L280 HydrophobicContact CD1-CD2 3.8Å; L227-L280 HydrophobicContact CD2-CD2 4.35Å
228	N	87.6	Confident	87.2	Confident	92 Å²	92	47 Å²	47	49%	0.492	25%	0.247	S	C	.	.			trans	-60.3	153.4	171	71.4	68.3	0	0	0	111.8	Q230 L231 Y232	N228-Q230 PolarHBondContact O-N 3.29Å; N228-Q230 VanDerWaalsContact O-N 3.12Å; N228-Q230 WeakPolarHBondContact OD1-CB 3.13Å; N228-Q230 PolarHBondContact OD1-N 2.04Å; N228-Q230 VanDerWaalsContact OD1-N 3.13Å; N228-L231 WeakPolarHBondContact ND2-CD1 3.25Å; N228-L231 PolarHBondContact O-N 2.85Å; N228-L231 VanDerWaalsContact O-N 3.1Å; N228-L231 PolarHBondContact OD1-N 3.23Å; N228-Y232 PolarHBondContact O-N 3.15Å
229	E	85.7	Confident	86.6	Confident	100 Å²	100	48 Å²	48	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-52.6	-38	-176.2	-174.5	57.8	-151	0	0	113.5	H225 Y232 Q233	H225-E229 IonicContact CD2-OE2 3.94Å; E229-Y232 WeakPolarHBondContact O-CB 3.43Å; E229-Y232 PolarHBondContact O-N 3.13Å; E229-Q233 HydrophobicContact CG-CG 4.47Å; E229-Q233 VanDerWaalsContact O-CG 3.26Å; E229-Q233 WeakPolarHBondContact O-CG 3.34Å; E229-Q233 PolarHBondContact O-N 3.42Å; E229-Q233 WeakPolarHBondContact OE1-CG 3.29Å; E229-Q233 PolarHBondContact OE1-NE2 3.48Å
230	Q	86.5	Confident	86	Confident	159 Å²	159	48.8 Å²	48.8	74%	0.743	26%	0.255	S	S	*	.	H	α-helix	trans	-71	-38.6	-177.2	-170.8	169.8	-5.7	0	0	112.3	N228 S234	N228-Q230 PolarHBondContact O-N 3.29Å; N228-Q230 VanDerWaalsContact O-N 3.12Å; N228-Q230 WeakPolarHBondContact OD1-CB 3.13Å; N228-Q230 PolarHBondContact OD1-N 2.04Å; N228-Q230 VanDerWaalsContact OD1-N 3.13Å; Q230-S234 WeakPolarHBondContact O-CB 3.38Å; Q230-S234 PolarHBondContact O-N 3.46Å; Q230-S234 PolarHBondContact O-OG 3.16Å
231	L	85.8	Confident	85.2	Confident	72 Å²	72	53 Å²	53	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-44.6	171.6	-74.8	175.6	0	0	0	110.3	L227 N228 Q233 S234 T235	L227-L231 HydrophobicContact CB-CB 4.05Å; L227-L231 HydrophobicContact CB-CD1 4.32Å; L227-L231 HydrophobicContact CD1-CB 4.14Å; L227-L231 HydrophobicContact CD1-CD1 4.21Å; N228-L231 WeakPolarHBondContact ND2-CD1 3.25Å; N228-L231 PolarHBondContact O-N 2.85Å; N228-L231 VanDerWaalsContact O-N 3.1Å; N228-L231 PolarHBondContact OD1-N 3.23Å; L231-Q233 PolarHBondContact O-N 2.95Å; L231-S234 PolarHBondContact O-N 3.34Å; L231-S234 PolarHBondContact O-OG 3.3Å; L231-T235 PolarHBondContact O-N 2.77Å; L231-T235 PolarHBondContact O-OG1 3.48Å
232	Y	86.7	Confident	84.2	Confident	19 Å²	19	57.4 Å²	57.4	8%	0.075	30%	0.296	C	S	.	.	I	π-helix	trans	-52	-54.6	175.5	168.9	-110.6	0	0	0	111.7	S224 H225 N228 E229 S234 I236 K237 Q240	S224-Y232 WeakPolarHBondContact O-CD2 3.46Å; H225-Y232 AromaticContact CD2-CD1 4Å; H225-Y232 AromaticContact CE1-CE1 3.79Å; H225-Y232 AromaticContact CE1-CZ 3.68Å; H225-Y232 AromaticContact NE2-CD1 3.73Å; H225-Y232 AromaticContact NE2-CE1 3.46Å; H225-Y232 WeakPolarHBondContact NE2-CE1 3.48Å; H225-Y232 AromaticContact NE2-CZ 3.85Å; N228-Y232 PolarHBondContact O-N 3.15Å; E229-Y232 WeakPolarHBondContact O-CB 3.43Å; E229-Y232 PolarHBondContact O-N 3.13Å; Y232-S234 VanDerWaalsContact C-N 3.3Å; Y232-S234 PolarHBondContact O-N 2.95Å; Y232-I236 HydrophobicContact CD2-CB 3.72Å; Y232-I236 HydrophobicContact CD2-CG1 4.49Å; Y232-I236 HydrophobicContact CD2-CG2 3.89Å; Y232-I236 HydrophobicContact CE2-CB 4.24Å; Y232-I236 HydrophobicContact CE2-CG2 4.06Å; Y232-I236 PolarHBondContact O-N 3.32Å; Y232-I236 VanDerWaalsContact O-N 3.11Å; Y232-K237 HydrophobicContact CE1-CB 4.12Å; Y232-K237 HydrophobicContact CE1-CD 4.16Å; Y232-K237 HydrophobicContact CE1-CG 4.41Å; Y232-K237 HydrophobicContact CE2-CB 4.01Å; Y232-K237 WeakPolarHBondContact O-CB 3.26Å; Y232-K237 PolarHBondContact O-N 3.33Å; Y232-Q240 PolarHBondContact OH-OE1 3.23Å; Y232-Q240 VanDerWaalsContact OH-OE1 3.04Å
233	Q	85.5	Confident	82.4	Confident	91 Å²	91	65.4 Å²	65.4	43%	0.425	33%	0.334	S	S	.	.	I	π-helix	trans	-62	-35.1	-178.3	-67.7	-67.4	-23.4	0	0	113.5	E229 L231	E229-Q233 HydrophobicContact CG-CG 4.47Å; E229-Q233 VanDerWaalsContact O-CG 3.26Å; E229-Q233 WeakPolarHBondContact O-CG 3.34Å; E229-Q233 PolarHBondContact O-N 3.42Å; E229-Q233 WeakPolarHBondContact OE1-CG 3.29Å; E229-Q233 PolarHBondContact OE1-NE2 3.48Å; L231-Q233 PolarHBondContact O-N 2.95Å
234	S	86.1	Confident	81.3	Confident	75 Å²	75	67.7 Å²	67.7	52%	0.524	34%	0.344	S	S	.	.	I	π-helix	trans	-90	-26.4	-173.5	58.3	0	0	0	0	114.5	Q230 L231 Y232	Q230-S234 WeakPolarHBondContact O-CB 3.38Å; Q230-S234 PolarHBondContact O-N 3.46Å; Q230-S234 PolarHBondContact O-OG 3.16Å; L231-S234 PolarHBondContact O-N 3.34Å; L231-S234 PolarHBondContact O-OG 3.3Å; Y232-S234 VanDerWaalsContact C-N 3.3Å; Y232-S234 PolarHBondContact O-N 2.95Å
235	T	83.5	Confident	80.9	Confident	64 Å²	64	67.9 Å²	67.9	39%	0.393	34%	0.344	S	S	.	.	I	π-helix	trans	-122.3	-50.5	-174.6	63.7	0	0	0	0	113.5	L231	L231-T235 PolarHBondContact O-N 2.77Å; L231-T235 PolarHBondContact O-OG1 3.48Å
236	I	87	Confident	80.8	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.015	33%	0.331	C	S	.	.	I	π-helix	trans	-80	-47.2	-172.2	-51.8	-56.4	0	0	0	111.4	F171 F226 Y232 L239 Q240 L283	F171-I236 HydrophobicContact CE2-CG2 3.8Å; F171-I236 HydrophobicContact CZ-CG2 4.19Å; F226-I236 HydrophobicContact CE1-CD1 4.05Å; F226-I236 HydrophobicContact CE1-CG1 4.33Å; Y232-I236 HydrophobicContact CD2-CB 3.72Å; Y232-I236 HydrophobicContact CD2-CG1 4.49Å; Y232-I236 HydrophobicContact CD2-CG2 3.89Å; Y232-I236 HydrophobicContact CE2-CB 4.24Å; Y232-I236 HydrophobicContact CE2-CG2 4.06Å; Y232-I236 PolarHBondContact O-N 3.32Å; Y232-I236 VanDerWaalsContact O-N 3.11Å; I236-L239 CarbonylContact O-C 3.39Å; I236-L239 WeakPolarHBondContact O-CA 3.32Å; I236-L239 WeakPolarHBondContact O-CB 3.42Å; I236-L239 PolarHBondContact O-N 3.43Å; I236-Q240 PolarHBondContact O-N 3.45Å; I236-L283 HydrophobicContact CD1-CD1 3.55Å; I236-L283 HydrophobicContact CD1-CD2 4.4Å
237	K	85.1	Confident	80.9	Confident	66 Å²	66	65 Å²	65	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-42.8	-178.8	-174.5	178.9	-171.8	-62	0	112.6	Y232 L239 Q240 D241	Y232-K237 HydrophobicContact CE1-CB 4.12Å; Y232-K237 HydrophobicContact CE1-CD 4.16Å; Y232-K237 HydrophobicContact CE1-CG 4.41Å; Y232-K237 HydrophobicContact CE2-CB 4.01Å; Y232-K237 WeakPolarHBondContact O-CB 3.26Å; Y232-K237 PolarHBondContact O-N 3.33Å; K237-L239 VanDerWaalsContact C-N 3.27Å; K237-L239 PolarHBondContact O-N 3.46Å; K237-Q240 PolarHBondContact O-N 3.04Å; K237-D241 WeakPolarHBondContact CE-OD2 3.33Å; K237-D241 VanDerWaalsContact CG-OD2 3.29Å; K237-D241 WeakPolarHBondContact CG-OD2 2.83Å; K237-D241 IonicContact NZ-OD2 2.98Å; K237-D241 PolarHBondContact NZ-OD2 2.82Å; K237-D241 VanDerWaalsContact O-CB 3.23Å; K237-D241 WeakPolarHBondContact O-CB 3.41Å; K237-D241 PolarHBondContact O-N 3.23Å
238	P	83.9	Confident	81.1	Confident	66 Å²	66	66.5 Å²	66.5	43%	0.429	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-30	173	-24.9	35.1	0	0	0	114.6	K242	P238-K242 VanDerWaalsContact O-CB 3.31Å; P238-K242 WeakPolarHBondContact O-CB 3.34Å; P238-K242 WeakPolarHBondContact O-CG 3.45Å; P238-K242 PolarHBondContact O-N 2.89Å
239	L	81.5	Confident	81.3	Confident	20 Å²	20	66.1 Å²	66.1	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-75.4	-43.1	173.7	-70.3	165.3	0	0	0	111	N201 I236 K237 K242 F245 L283 I286	N201-L239 PolarHBondContact ND2-O 2.94Å; I236-L239 CarbonylContact O-C 3.39Å; I236-L239 WeakPolarHBondContact O-CA 3.32Å; I236-L239 WeakPolarHBondContact O-CB 3.42Å; I236-L239 PolarHBondContact O-N 3.43Å; K237-L239 VanDerWaalsContact C-N 3.27Å; K237-L239 PolarHBondContact O-N 3.46Å; L239-K242 WeakPolarHBondContact O-CB 3.43Å; L239-F245 WeakPolarHBondContact O-CD1 3.31Å; L239-L283 HydrophobicContact CD1-CD2 4.29Å; L239-I286 HydrophobicContact CD2-CG2 3.82Å
240	Q	80.3	Confident	81.6	Confident	23 Å²	23	61.6 Å²	61.6	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-50	179.2	-163.8	177	8.8	0	0	111.7	F171 N201 S202 Y232 I236 K237 K242	F171-Q240 HydrophobicContact CE2-CB 4.21Å; F171-Q240 HydrophobicContact CE2-CG 4.11Å; F171-Q240 HydrophobicContact CZ-CB 3.76Å; F171-Q240 HydrophobicContact CZ-CG 3.93Å; N201-Q240 PolarHBondContact ND2-O 2.69Å; S202-Q240 PolarHBondContact OG-NE2 3.19Å; S202-Q240 VanDerWaalsContact OG-NE2 3.14Å; Y232-Q240 PolarHBondContact OH-OE1 3.23Å; Y232-Q240 VanDerWaalsContact OH-OE1 3.04Å; I236-Q240 PolarHBondContact O-N 3.45Å; K237-Q240 PolarHBondContact O-N 3.04Å; Q240-K242 VanDerWaalsContact C-N 3.32Å
241	D	76.1	Confident	81.7	Confident	90 Å²	90	59.7 Å²	59.7	48%	0.481	31%	0.311	S	S	.	.	S	Bend	trans	-80.4	-11.9	-177	-70.4	-8.1	0	0	0	113.3	K237 Q243	K237-D241 WeakPolarHBondContact CE-OD2 3.33Å; K237-D241 VanDerWaalsContact CG-OD2 3.29Å; K237-D241 WeakPolarHBondContact CG-OD2 2.83Å; K237-D241 IonicContact NZ-OD2 2.98Å; K237-D241 PolarHBondContact NZ-OD2 2.82Å; K237-D241 VanDerWaalsContact O-CB 3.23Å; K237-D241 WeakPolarHBondContact O-CB 3.41Å; K237-D241 PolarHBondContact O-N 3.23Å; D241-Q243 VanDerWaalsContact C-N 3.26Å; D241-Q243 PolarHBondContact O-N 3.15Å
242	K	69.9	Low	81.9	Confident	96 Å²	96	56.7 Å²	56.7	42%	0.417	30%	0.295	S	S	.	.			trans	-55.7	104.9	163.7	-113.8	178.5	179.1	176.5	0	104.8	P238 L239 Q240 N244 F245	P238-K242 VanDerWaalsContact O-CB 3.31Å; P238-K242 WeakPolarHBondContact O-CB 3.34Å; P238-K242 WeakPolarHBondContact O-CG 3.45Å; P238-K242 PolarHBondContact O-N 2.89Å; L239-K242 WeakPolarHBondContact O-CB 3.43Å; Q240-K242 VanDerWaalsContact C-N 3.32Å; K242-N244 PolarHBondContact O-N 3.39Å; K242-F245 HydrophobicContact CB-CB 4.07Å; K242-F245 PolarHBondContact O-N 2.84Å
243	Q	54	Low	82.2	Confident	168 Å²	168	57.1 Å²	57.1	79%	0.785	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	10.3	-165.4	-147.3	171.5	43.9	0	0	115.2	D241	D241-Q243 VanDerWaalsContact C-N 3.26Å; D241-Q243 PolarHBondContact O-N 3.15Å
244	N	63.7	Low	82.5	Confident	71 Å²	71	58 Å²	58	38%	0.38	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn		-160.8	-39	-125.7	-96.2	32.4	0	0	0	106.1	K242 I246 E294	K242-N244 PolarHBondContact O-N 3.39Å; N244-I246 PolarHBondContact O-N 3.34Å; N244-E294 WeakPolarHBondContact CA-OE1 3.4Å; N244-E294 HydrophobicContact CB-CG 4.11Å; N244-E294 WeakPolarHBondContact CB-OE1 3.39Å; N244-E294 WeakPolarHBondContact CB-OE2 3.3Å; N244-E294 PolarHBondContact ND2-OE2 2.99Å; N244-E294 WeakPolarHBondContact O-CG 3.13Å
245	F	75.7	Confident	82.8	Confident	17 Å²	17	58.2 Å²	58.2	8%	0.075	31%	0.309	C	S	.	.			trans	-65.7	106	166.9	-179	-133.5	0	0	0	109.8	F171 I199 N201 R204 L239 K242 R248 I286	F171-F245 HydrophobicContact CE1-CD1 4.48Å; F171-F245 HydrophobicContact CE1-CE1 4.05Å; I199-F245 HydrophobicContact CG1-CZ 4.37Å; I199-F245 HydrophobicContact CG2-CE2 4.3Å; I199-F245 HydrophobicContact CG2-CZ 3.73Å; N201-F245 HydrophobicContact CB-CD1 3.82Å; N201-F245 HydrophobicContact CB-CE1 4.07Å; N201-F245 HydrophobicContact CB-CG 4.4Å; N201-F245 VanDerWaalsContact CB-O 3.24Å; N201-F245 WeakPolarHBondContact CB-O 3.04Å; N201-F245 PolarHBondContact ND2-O 3.43Å; R204-F245 PolarHBondContact NH2-O 3.39Å; L239-F245 WeakPolarHBondContact O-CD1 3.31Å; K242-F245 HydrophobicContact CB-CB 4.07Å; K242-F245 PolarHBondContact O-N 2.84Å; F245-R248 HydrophobicContact CE2-CB 3.82Å; F245-I286 HydrophobicContact CE2-CG2 4.16Å; F245-I286 HydrophobicContact CZ-CD1 4.13Å; F245-I286 HydrophobicContact CZ-CG2 4.12Å
246	I	81.7	Confident	83.3	Confident	31 Å²	31	55.1 Å²	55.1	16%	0.159	29%	0.29	C	S	.	.			trans	-97.4	-60.6	176.3	-67.4	171	0	0	0	108.7	V185 N201 R204 N244	V185-I246 HydrophobicContact CB-CG2 4.2Å; V185-I246 HydrophobicContact CG1-CG2 3.4Å; V185-I246 VanDerWaalsContact CG1-CG2 3.4Å; N201-I246 WeakPolarHBondContact CB-O 3.33Å; N201-I246 PolarHBondContact N-O 3.44Å; R204-I246 HydrophobicContact CG-CG2 4.41Å; N244-I246 PolarHBondContact O-N 3.34Å
247	C	88.4	Confident	83.6	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	168.2	176.8	61.9	0	0	0	0	110.4	V185 Y190 I198 I199 I200	V185-C247 HydrophobicContact CB-CB 4.48Å; V185-C247 HydrophobicContact CG1-CB 4.41Å; V185-C247 HydrophobicContact CG2-CB 4.05Å; Y190-C247 WeakPolarHBondContact CE2-SG 3.19Å; Y190-C247 PolarHBondContact OH-SG 2.74Å; I198-C247 HydrophobicContact CD1-CB 3.89Å; I198-C247 HydrophobicContact CG1-CB 4.16Å; I199-C247 CarbonylContact O-C 3.52Å; I199-C247 WeakPolarHBondContact O-CA 3.44Å; I199-C247 WeakPolarHBondContact O-CB 3.16Å; I200-C247 HydrophobicContact CG1-CB 4.33Å
248	R	88.1	Confident	84	Confident	67 Å²	67	57.5 Å²	57.5	25%	0.253	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	132.8	175.8	180	160.1	-179.2	-166.4	-9.5	112.4	I198 I199 F245 I286 S289	I198-R248 WeakPolarHBondContact CA-O 3.47Å; I198-R248 VanDerWaalsContact CG1-O 3.3Å; I198-R248 WeakPolarHBondContact CG1-O 3.49Å; I199-R248 HydrophobicContact CG2-CB 3.89Å; I199-R248 WeakPolarHBondContact CG2-O 3.49Å; I199-R248 PolarHBondContact N-O 2.75Å; I199-R248 PolarHBondContact O-N 2.62Å; F245-R248 HydrophobicContact CE2-CB 3.82Å; R248-I286 PolarHBondContact NH1-O 3.45Å; R248-S289 VanDerWaalsContact CZ-CB 3.41Å; R248-S289 PolarHBondContact NH2-OG 3.38Å
249	L	91.7	Very high	84.5	Confident	84 Å²	84	54.9 Å²	54.9	44%	0.44	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.1	171.1	-69.6	172.5	0	0	0	110.6	Y190 I192 G197 I198	Y190-L249 HydrophobicContact CD1-CD1 4.21Å; Y190-L249 HydrophobicContact CD1-CG 4.27Å; I192-L249 HydrophobicContact CG1-CD2 4.07Å; G197-L249 WeakPolarHBondContact O-CA 3.4Å; I198-L249 HydrophobicContact CB-CD2 4.27Å; I198-L249 HydrophobicContact CD1-CD2 4.27Å; I198-L249 HydrophobicContact CG1-CD2 4.2Å
250	L	91.5	Very high	85	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.7	-178.8	-58.4	176.6	0	0	0	109.2	L173 F175 S196 G197 I199 C282 I286	L173-L250 HydrophobicContact CD2-CD1 3.46Å; L173-L250 VanDerWaalsContact CD2-CD1 3.46Å; F175-L250 HydrophobicContact CE1-CD1 4.27Å; S196-L250 WeakPolarHBondContact CA-O 3.4Å; S196-L250 WeakPolarHBondContact CB-O 2.89Å; G197-L250 PolarHBondContact N-O 2.6Å; G197-L250 PolarHBondContact O-N 2.73Å; I199-L250 HydrophobicContact CB-CD1 4.19Å; I199-L250 HydrophobicContact CG2-CD1 4.35Å; I199-L250 HydrophobicContact CG2-CD2 4.3Å; I199-L250 HydrophobicContact CG2-CG 4.4Å; L250-C282 HydrophobicContact CD1-CB 3.99Å; L250-I286 HydrophobicContact CD2-CG1 4.28Å
251	T	89	Confident	85.4	Confident	118 Å²	118	58.7 Å²	58.7	72%	0.724	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	116	169.1	-58.1	0	0	0	0	107.7	A253	T251-A253 PolarHBondContact O-N 2.63Å
252	L	90.4	Very high	86.1	Confident	10 Å²	10	57.5 Å²	57.5	5%	0.052	30%	0.303	C	S	.	.			trans	-73	123.7	-171.1	-75	155.4	0	0	0	111.6	F175 K195 Q256 Q257 L260	F175-L252 HydrophobicContact CB-CD1 4.42Å; F175-L252 HydrophobicContact CD1-CD1 3.81Å; F175-L252 HydrophobicContact CD1-CD2 3.7Å; F175-L252 HydrophobicContact CD1-CG 4.06Å; F175-L252 HydrophobicContact CE1-CD2 3.62Å; F175-L252 HydrophobicContact CE1-CG 4.34Å; F175-L252 HydrophobicContact CG-CD1 4.49Å; K195-L252 WeakPolarHBondContact O-CB 3.33Å; K195-L252 PolarHBondContact O-N 3.39Å; L252-Q256 VanDerWaalsContact CA-OE1 3.31Å; L252-Q256 HydrophobicContact CB-CB 4.46Å; L252-Q256 HydrophobicContact CD2-CB 3.45Å; L252-Q256 VanDerWaalsContact CD2-CB 3.45Å; L252-Q256 HydrophobicContact CD2-CG 4.35Å; L252-Q257 HydrophobicContact CB-CG 3.63Å; L252-Q257 PolarHBondContact O-NE2 3.3Å; L252-L260 HydrophobicContact CD1-CD1 3.57Å; L252-L260 HydrophobicContact CD2-CD1 3.57Å; L252-L260 HydrophobicContact CG-CD1 4.24Å
253	A	92.3	Very high	87	Confident	28 Å²	28	53.5 Å²	53.5	23%	0.231	29%	0.286	C	S	.	.			trans	-66.2	156.6	167.5	0	0	0	0	0	111.2	T251 H255 Q256 Q257	T251-A253 PolarHBondContact O-N 2.63Å; A253-H255 VanDerWaalsContact C-N 3.26Å; A253-H255 WeakPolarHBondContact CB-ND1 3.33Å; A253-H255 PolarHBondContact O-N 3.5Å; A253-H255 VanDerWaalsContact O-N 3.16Å; A253-Q256 HydrophobicContact CB-CG 4.42Å; A253-Q256 WeakPolarHBondContact O-CB 3.16Å; A253-Q256 PolarHBondContact O-N 3.26Å; A253-Q257 PolarHBondContact O-N 2.93Å
254	P	92.9	Very high	88.5	Confident	110 Å²	110	46.4 Å²	46.4	71%	0.714	26%	0.256	S	S	*	.	H	α-helix	trans	-55.6	-35.8	-176.3	-27.9	35.5	0	0	0	114.7	Q257 A258	P254-Q257 PolarHBondContact O-N 2.95Å; P254-A258 PolarHBondContact O-N 2.93Å; P254-A258 VanDerWaalsContact O-N 3.11Å
255	H	92.5	Very high	89.6	Confident	78 Å²	78	49.4 Å²	49.4	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-70.3	-38.3	177.8	71	-69.8	0	0	0	112.1	A253 Q257 A258 I259 E277 S281	A253-H255 VanDerWaalsContact C-N 3.26Å; A253-H255 WeakPolarHBondContact CB-ND1 3.33Å; A253-H255 PolarHBondContact O-N 3.5Å; A253-H255 VanDerWaalsContact O-N 3.16Å; H255-Q257 VanDerWaalsContact C-N 3.34Å; H255-Q257 PolarHBondContact O-N 3.3Å; H255-A258 PolarHBondContact O-N 3.15Å; H255-I259 WeakPolarHBondContact O-CG1 3.14Å; H255-I259 PolarHBondContact O-N 3.48Å; H255-I259 VanDerWaalsContact O-N 3.07Å; H255-E277 IonicContact CD2-OE1 3.36Å; H255-S281 PolarHBondContact NE2-OG 3.07Å
256	Q	94.1	Very high	90	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-40.7	175.5	-64	165.7	-29.1	0	0	111	L252 A253 A258 I259 L260 L278 S281 E285	L252-Q256 VanDerWaalsContact CA-OE1 3.31Å; L252-Q256 HydrophobicContact CB-CB 4.46Å; L252-Q256 HydrophobicContact CD2-CB 3.45Å; L252-Q256 VanDerWaalsContact CD2-CB 3.45Å; L252-Q256 HydrophobicContact CD2-CG 4.35Å; A253-Q256 HydrophobicContact CB-CG 4.42Å; A253-Q256 WeakPolarHBondContact O-CB 3.16Å; A253-Q256 PolarHBondContact O-N 3.26Å; Q256-A258 VanDerWaalsContact C-N 3.34Å; Q256-A258 PolarHBondContact O-N 2.83Å; Q256-I259 PolarHBondContact O-N 3.37Å; Q256-L260 WeakPolarHBondContact O-CG 3.28Å; Q256-L260 PolarHBondContact O-N 3.25Å; Q256-L278 HydrophobicContact CB-CD1 3.61Å; Q256-L278 HydrophobicContact CG-CD1 3.74Å; Q256-S281 PolarHBondContact NE2-OG 2.82Å; Q256-E285 PolarHBondContact NE2-OE1 2.9Å
257	Q	93.4	Very high	89.6	Confident	58 Å²	58	53.4 Å²	53.4	27%	0.271	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-42.2	174.7	-63.6	-179.8	32.5	0	0	111.6	L252 A253 P254 H255 I259 L260 Q261	L252-Q257 HydrophobicContact CB-CG 3.63Å; L252-Q257 PolarHBondContact O-NE2 3.3Å; A253-Q257 PolarHBondContact O-N 2.93Å; P254-Q257 PolarHBondContact O-N 2.95Å; H255-Q257 VanDerWaalsContact C-N 3.34Å; H255-Q257 PolarHBondContact O-N 3.3Å; Q257-I259 PolarHBondContact O-N 3.36Å; Q257-L260 PolarHBondContact O-N 3.18Å; Q257-Q261 WeakPolarHBondContact O-CB 3.3Å; Q257-Q261 PolarHBondContact O-N 3.07Å
258	A	93	Very high	88.9	Confident	60 Å²	60	61.6 Å²	61.6	50%	0.496	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-41.3	177.9	0	0	0	0	0	112.5	P254 H255 Q256 Q261 E262	P254-A258 PolarHBondContact O-N 2.93Å; P254-A258 VanDerWaalsContact O-N 3.11Å; H255-A258 PolarHBondContact O-N 3.15Å; Q256-A258 VanDerWaalsContact C-N 3.34Å; Q256-A258 PolarHBondContact O-N 2.83Å; A258-Q261 PolarHBondContact O-N 3.29Å; A258-E262 PolarHBondContact O-N 3.5Å
259	I	93.4	Very high	88.6	Confident	11 Å²	11	62 Å²	62	6%	0.056	35%	0.352	C	S	.	.	H	α-helix	trans	-64.5	-44	176	-64.6	165.1	0	0	0	110.6	H255 Q256 Q257 Q261 E262 I263 K274 E277 L278	H255-I259 WeakPolarHBondContact O-CG1 3.14Å; H255-I259 PolarHBondContact O-N 3.48Å; H255-I259 VanDerWaalsContact O-N 3.07Å; Q256-I259 PolarHBondContact O-N 3.37Å; Q257-I259 PolarHBondContact O-N 3.36Å; I259-Q261 VanDerWaalsContact C-N 3.32Å; I259-Q261 PolarHBondContact O-N 2.85Å; I259-E262 PolarHBondContact O-N 2.89Å; I259-I263 HydrophobicContact CG2-CD1 4.02Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.96Å; I259-K274 HydrophobicContact CD1-CB 4.49Å; I259-K274 HydrophobicContact CG1-CB 4.26Å; I259-K274 HydrophobicContact CG2-CB 3.95Å; I259-E277 HydrophobicContact CD1-CB 4.43Å; I259-E277 HydrophobicContact CD1-CG 4.32Å; I259-L278 HydrophobicContact CD1-CB 4.32Å; I259-L278 HydrophobicContact CG2-CB 4.08Å; I259-L278 HydrophobicContact CG2-CD2 4.17Å
260	L	92.6	Very high	88.3	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-39.6	178.4	-77	168.6	0	0	0	112.8	F175 L177 V218 L252 Q256 Q257 E262 I263 A264 L278	F175-L260 HydrophobicContact CB-CD1 3.65Å; F175-L260 HydrophobicContact CB-CD2 3.98Å; F175-L260 HydrophobicContact CB-CG 4.48Å; F175-L260 HydrophobicContact CD1-CD1 3.82Å; F175-L260 HydrophobicContact CD2-CD1 4.01Å; F175-L260 HydrophobicContact CD2-CD2 3.4Å; F175-L260 VanDerWaalsContact CD2-CD2 3.4Å; F175-L260 HydrophobicContact CD2-CG 4.3Å; F175-L260 HydrophobicContact CE1-CD1 4.4Å; F175-L260 HydrophobicContact CE2-CD2 3.93Å; F175-L260 HydrophobicContact CG-CD1 3.56Å; F175-L260 HydrophobicContact CG-CD2 3.8Å; F175-L260 HydrophobicContact CG-CG 4.32Å; L177-L260 HydrophobicContact CD2-CB 4.43Å; V218-L260 HydrophobicContact CB-CD2 4.46Å; V218-L260 HydrophobicContact CG1-CD2 4.45Å; L252-L260 HydrophobicContact CD1-CD1 3.57Å; L252-L260 HydrophobicContact CD2-CD1 3.57Å; L252-L260 HydrophobicContact CG-CD1 4.24Å; Q256-L260 WeakPolarHBondContact O-CG 3.28Å; Q256-L260 PolarHBondContact O-N 3.25Å; Q257-L260 PolarHBondContact O-N 3.18Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 3.12Å; L260-I263 WeakPolarHBondContact O-CB 3.49Å; L260-I263 PolarHBondContact O-N 3.17Å; L260-A264 PolarHBondContact O-N 2.55Å; L260-L278 HydrophobicContact CD2-CD2 3.77Å; L260-L278 HydrophobicContact CG-CD2 3.99Å
261	Q	89.8	Confident	88.2	Confident	118 Å²	118	62.8 Å²	62.8	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-64.9	-39	178.1	-171.7	149.3	-0.6	0	0	111.7	Q257 A258 I259 A264 E265	Q257-Q261 WeakPolarHBondContact O-CB 3.3Å; Q257-Q261 PolarHBondContact O-N 3.07Å; A258-Q261 PolarHBondContact O-N 3.29Å; I259-Q261 VanDerWaalsContact C-N 3.32Å; I259-Q261 PolarHBondContact O-N 2.85Å; Q261-A264 PolarHBondContact O-N 3.39Å; Q261-E265 VanDerWaalsContact CG-OE1 3.32Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.46Å; Q261-E265 PolarHBondContact NE2-OE1 3.03Å; Q261-E265 WeakPolarHBondContact O-CB 3.25Å; Q261-E265 VanDerWaalsContact O-CG 3.29Å; Q261-E265 WeakPolarHBondContact O-CG 3.46Å; Q261-E265 PolarHBondContact O-N 3.32Å
262	E	90.8	Very high	88.2	Confident	65 Å²	65	59.5 Å²	59.5	30%	0.304	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-40	173.3	-174.6	176.1	170.7	0	0	112.5	A258 I259 L260 A264 E265 T266 K274	A258-E262 PolarHBondContact O-N 3.5Å; I259-E262 PolarHBondContact O-N 2.89Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 3.12Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 3.36Å; E262-E265 PolarHBondContact O-N 3.4Å; E262-T266 PolarHBondContact O-N 3.34Å; E262-T266 PolarHBondContact O-OG1 3.2Å; E262-K274 IonicContact OE1-NZ 2.79Å; E262-K274 PolarHBondContact OE1-NZ 2.94Å; E262-K274 WeakPolarHBondContact OE2-CD 3.17Å; E262-K274 IonicContact OE2-NZ 3.98Å; E262-K274 PolarHBondContact OE2-NZ 3.44Å
263	I	87.7	Confident	88.2	Confident	12 Å²	12	65.8 Å²	65.8	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-41.8	174.8	-69.2	167.7	0	0	0	110.8	I150 V218 I220 I259 L260 Y270 I275 L278	I150-I263 HydrophobicContact CG2-CG2 3.95Å; V218-I263 HydrophobicContact CG1-CG2 4.12Å; I220-I263 HydrophobicContact CD1-CD1 4.3Å; I259-I263 HydrophobicContact CG2-CD1 4.02Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.96Å; L260-I263 WeakPolarHBondContact O-CB 3.49Å; L260-I263 PolarHBondContact O-N 3.17Å; I263-Y270 HydrophobicContact CG2-CD1 4.4Å; I263-Y270 HydrophobicContact CG2-CE1 3.94Å; I263-I275 HydrophobicContact CD1-CG1 3.93Å; I263-I275 HydrophobicContact CG1-CG1 4.39Å; I263-L278 HydrophobicContact CD1-CD2 4.24Å
264	A	86.5	Confident	88.2	Confident	19 Å²	19	67.6 Å²	67.6	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-70.9	-38.1	179.2	0	0	0	0	0	112.8	L177 L260 Q261 E262	L177-A264 HydrophobicContact CD1-CB 3.55Å; L260-A264 PolarHBondContact O-N 2.55Å; Q261-A264 PolarHBondContact O-N 3.39Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 3.36Å
265	E	86.5	Confident	88.2	Confident	135 Å²	135	62.4 Å²	62.4	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-77	-25	-178.6	-73	173.2	-172.5	0	0	113.3	Q261 E262 P267	Q261-E265 VanDerWaalsContact CG-OE1 3.32Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.46Å; Q261-E265 PolarHBondContact NE2-OE1 3.03Å; Q261-E265 WeakPolarHBondContact O-CB 3.25Å; Q261-E265 VanDerWaalsContact O-CG 3.29Å; Q261-E265 WeakPolarHBondContact O-CG 3.46Å; Q261-E265 PolarHBondContact O-N 3.32Å; E262-E265 PolarHBondContact O-N 3.4Å; E265-P267 VanDerWaalsContact C-CD 3.47Å; E265-P267 WeakPolarHBondContact O-CD 3.39Å
266	T	83.1	Confident	88.2	Confident	57 Å²	57	61.2 Å²	61.2	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-126.8	66.3	-177.7	57.4	0	0	0	0	113.2	E262 Q268 A269	E262-T266 PolarHBondContact O-N 3.34Å; E262-T266 PolarHBondContact O-OG1 3.2Å; T266-Q268 PolarHBondContact O-N 3.26Å; T266-A269 PolarHBondContact O-N 3.1Å
267	P	73.4	Confident	88.2	Confident	75 Å²	75	65.8 Å²	65.8	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	137.6	176.4	-20.9	31.5	0	0	0	111	E265 A269	E265-P267 VanDerWaalsContact C-CD 3.47Å; E265-P267 WeakPolarHBondContact O-CD 3.39Å; P267-A269 PolarHBondContact O-N 3.33Å
268	Q	74.3	Confident	88.3	Confident	179 Å²	179	63 Å²	63	84%	0.836	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-11.5	179.7	-50.7	179.6	-8.4	0	0	116.7	T266 Y270	T266-Q268 PolarHBondContact O-N 3.26Å; Q268-Y270 VanDerWaalsContact N-CZ 3.31Å; Q268-Y270 PolarHBondContact N-OH 3.43Å; Q268-Y270 PolarHBondContact O-N 3.21Å
269	A	82.1	Confident	88.3	Confident	74 Å²	74	60.2 Å²	60.2	61%	0.612	31%	0.31	S	S	*	.			trans	-100.5	50.1	176.1	0	0	0	0	0	111.7	T266 P267	T266-A269 PolarHBondContact O-N 3.1Å; P267-A269 PolarHBondContact O-N 3.33Å
270	Y	83.8	Confident	88.3	Confident	37 Å²	37	63.4 Å²	63.4	15%	0.145	33%	0.326	C	S	.	.			trans	-74.1	133	-167.4	-60.7	-50.7	0	0	0	114.4	I143 I150 I263 Q268 F272 I275	I143-Y270 HydrophobicContact CD1-CD2 3.86Å; I143-Y270 HydrophobicContact CD1-CE2 3.76Å; I150-Y270 HydrophobicContact CB-CE2 4.38Å; I150-Y270 HydrophobicContact CD1-CD1 4.25Å; I150-Y270 HydrophobicContact CD1-CD2 4.22Å; I150-Y270 HydrophobicContact CD1-CE1 4.37Å; I150-Y270 HydrophobicContact CD1-CE2 4.32Å; I150-Y270 HydrophobicContact CD1-CG 4.19Å; I150-Y270 HydrophobicContact CG2-CE1 4.49Å; I263-Y270 HydrophobicContact CG2-CD1 4.4Å; I263-Y270 HydrophobicContact CG2-CE1 3.94Å; Q268-Y270 VanDerWaalsContact N-CZ 3.31Å; Q268-Y270 PolarHBondContact N-OH 3.43Å; Q268-Y270 PolarHBondContact O-N 3.21Å; Y270-F272 PolarHBondContact O-N 3.18Å; Y270-I275 HydrophobicContact CD1-CD1 4.46Å; Y270-I275 HydrophobicContact CG-CD1 4.11Å
271	N	89.5	Confident	88.3	Confident	70 Å²	70	64.3 Å²	64.3	37%	0.374	33%	0.333	S	S	.	.			trans	-84.4	94.4	164.7	-171.6	-30.6	0	0	0	110.1	L273 K274 I275	N271-L273 PolarHBondContact O-N 3.25Å; N271-L273 WeakPolarHBondContact OD1-CB 3.43Å; N271-L273 PolarHBondContact OD1-N 2.91Å; N271-K274 HydrophobicContact CB-CB 4.28Å; N271-K274 HydrophobicContact CB-CD 4.07Å; N271-K274 HydrophobicContact CB-CG 4.18Å; N271-K274 WeakPolarHBondContact O-CB 3.28Å; N271-K274 PolarHBondContact O-N 3.31Å; N271-K274 PolarHBondContact OD1-N 3.43Å; N271-I275 PolarHBondContact O-N 2.87Å; N271-I275 VanDerWaalsContact O-N 3.13Å
272	F	89	Confident	88.3	Confident	48 Å²	48	58.7 Å²	58.7	21%	0.211	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-30.9	-177.8	-69	-78.2	0	0	0	113.9	I143 F146 L148 Y270 K274 I275 Y276	I143-F272 HydrophobicContact CG2-CE1 4.48Å; I143-F272 HydrophobicContact CG2-CZ 3.96Å; F146-F272 HydrophobicContact CB-CD1 4.46Å; F146-F272 HydrophobicContact CB-CE1 3.98Å; F146-F272 AromaticContact CD1-CD1 3.8Å; F146-F272 HydrophobicContact CD1-CD1 3.8Å; F146-F272 HydrophobicContact CD1-CE1 4.01Å; F146-F272 HydrophobicContact CD1-CG 4.07Å; F146-F272 HydrophobicContact CD1-CZ 4.47Å; F146-F272 HydrophobicContact CD2-CD1 4.21Å; F146-F272 HydrophobicContact CD2-CD2 4.34Å; F146-F272 AromaticContact CD2-CE1 3.65Å; F146-F272 HydrophobicContact CD2-CE1 3.65Å; F146-F272 AromaticContact CD2-CE2 3.8Å; F146-F272 HydrophobicContact CD2-CE2 3.8Å; F146-F272 AromaticContact CD2-CZ 3.41Å; F146-F272 HydrophobicContact CD2-CZ 3.41Å; F146-F272 VanDerWaalsContact CD2-CZ 3.41Å; F146-F272 HydrophobicContact CE1-CB 4.17Å; F146-F272 HydrophobicContact CE1-CD1 4.03Å; F146-F272 HydrophobicContact CE1-CD2 4.02Å; F146-F272 HydrophobicContact CE1-CE1 4.43Å; F146-F272 HydrophobicContact CE1-CE2 4.43Å; F146-F272 AromaticContact CE1-CG 3.8Å; F146-F272 HydrophobicContact CE1-CG 3.8Å; F146-F272 HydrophobicContact CE2-CD1 4.43Å; F146-F272 AromaticContact CE2-CD2 3.81Å; F146-F272 HydrophobicContact CE2-CD2 3.81Å; F146-F272 HydrophobicContact CE2-CE1 4.11Å; F146-F272 AromaticContact CE2-CE2 3.44Å; F146-F272 HydrophobicContact CE2-CE2 3.44Å; F146-F272 VanDerWaalsContact CE2-CE2 3.44Å; F146-F272 HydrophobicContact CE2-CG 4.28Å; F146-F272 AromaticContact CE2-CZ 3.6Å; F146-F272 HydrophobicContact CE2-CZ 3.6Å; F146-F272 AromaticContact CG-CD1 3.89Å; F146-F272 HydrophobicContact CG-CD1 3.89Å; F146-F272 AromaticContact CG-CE1 3.59Å; F146-F272 HydrophobicContact CG-CE1 3.59Å; F146-F272 HydrophobicContact CG-CE2 4.44Å; F146-F272 HydrophobicContact CG-CG 4.42Å; F146-F272 AromaticContact CG-CZ 3.89Å; F146-F272 HydrophobicContact CG-CZ 3.89Å; F146-F272 HydrophobicContact CZ-CD1 4.34Å; F146-F272 AromaticContact CZ-CD2 3.63Å; F146-F272 HydrophobicContact CZ-CD2 3.63Å; F146-F272 HydrophobicContact CZ-CE1 4.47Å; F146-F272 AromaticContact CZ-CE2 3.79Å; F146-F272 HydrophobicContact CZ-CE2 3.79Å; F146-F272 AromaticContact CZ-CG 3.92Å; F146-F272 HydrophobicContact CZ-CG 3.92Å; F146-F272 HydrophobicContact CZ-CZ 4.21Å; L148-F272 HydrophobicContact CD1-CE1 4.26Å; Y270-F272 PolarHBondContact O-N 3.18Å; F272-K274 VanDerWaalsContact C-N 3.33Å; F272-K274 PolarHBondContact O-N 3.49Å; F272-I275 HydrophobicContact CD1-CD1 4.2Å; F272-I275 PolarHBondContact O-N 3Å; F272-Y276 WeakPolarHBondContact O-CD2 3.4Å; F272-Y276 PolarHBondContact O-N 3.45Å
273	L	90.8	Very high	88.2	Confident	143 Å²	143	56.2 Å²	56.2	75%	0.749	30%	0.296	S	S	*	.	H	α-helix	trans	-63.8	-40.8	176.3	-69.3	173.2	0	0	0	111.5	N271 Y276 E277	N271-L273 PolarHBondContact O-N 3.25Å; N271-L273 WeakPolarHBondContact OD1-CB 3.43Å; N271-L273 PolarHBondContact OD1-N 2.91Å; L273-Y276 PolarHBondContact O-N 3.43Å; L273-E277 WeakPolarHBondContact O-CB 3.29Å; L273-E277 PolarHBondContact O-N 3.38Å
274	K	92.8	Very high	88.1	Confident	66 Å²	66	60.9 Å²	60.9	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-68.3	-37.9	175.8	-67.8	-177.2	178.6	175.5	0	111.8	I259 E262 N271 F272 E277 L278	I259-K274 HydrophobicContact CD1-CB 4.49Å; I259-K274 HydrophobicContact CG1-CB 4.26Å; I259-K274 HydrophobicContact CG2-CB 3.95Å; E262-K274 IonicContact OE1-NZ 2.79Å; E262-K274 PolarHBondContact OE1-NZ 2.94Å; E262-K274 WeakPolarHBondContact OE2-CD 3.17Å; E262-K274 IonicContact OE2-NZ 3.98Å; E262-K274 PolarHBondContact OE2-NZ 3.44Å; N271-K274 HydrophobicContact CB-CB 4.28Å; N271-K274 HydrophobicContact CB-CD 4.07Å; N271-K274 HydrophobicContact CB-CG 4.18Å; N271-K274 WeakPolarHBondContact O-CB 3.28Å; N271-K274 PolarHBondContact O-N 3.31Å; N271-K274 PolarHBondContact OD1-N 3.43Å; F272-K274 VanDerWaalsContact C-N 3.33Å; F272-K274 PolarHBondContact O-N 3.49Å; K274-E277 WeakPolarHBondContact O-CB 3.48Å; K274-E277 PolarHBondContact O-N 3.18Å; K274-L278 WeakPolarHBondContact O-CB 3.37Å; K274-L278 PolarHBondContact O-N 2.73Å
275	I	92.5	Very high	87.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-45	174.8	-68.3	155	0	0	0	110.6	L148 I150 I263 Y270 N271 F272 E277 L278 I279	L148-I275 HydrophobicContact CD1-CG2 4.4Å; L148-I275 HydrophobicContact CD2-CG2 3.92Å; I150-I275 HydrophobicContact CD1-CD1 3.4Å; I150-I275 HydrophobicContact CD1-CG1 3.97Å; I150-I275 HydrophobicContact CD1-CG2 4.35Å; I263-I275 HydrophobicContact CD1-CG1 3.93Å; I263-I275 HydrophobicContact CG1-CG1 4.39Å; Y270-I275 HydrophobicContact CD1-CD1 4.46Å; Y270-I275 HydrophobicContact CG-CD1 4.11Å; N271-I275 PolarHBondContact O-N 2.87Å; N271-I275 VanDerWaalsContact O-N 3.13Å; F272-I275 HydrophobicContact CD1-CD1 4.2Å; F272-I275 PolarHBondContact O-N 3Å; I275-E277 VanDerWaalsContact C-N 3.33Å; I275-E277 PolarHBondContact O-N 2.67Å; I275-L278 WeakPolarHBondContact O-CB 3.34Å; I275-L278 PolarHBondContact O-N 3.45Å; I275-I279 HydrophobicContact CG2-CD1 3.84Å; I275-I279 HydrophobicContact CG2-CG1 4.45Å; I275-I279 VanDerWaalsContact O-CG1 3.32Å; I275-I279 WeakPolarHBondContact O-CG1 3.26Å; I275-I279 PolarHBondContact O-N 3.1Å
276	Y	92.9	Very high	87.5	Confident	52 Å²	52	57.1 Å²	57.1	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-40.6	175.7	-85.3	-120.6	0	0	0	111.1	L148 F226 L227 F272 L273 L278 I279 L280	L148-Y276 HydrophobicContact CD2-CD2 4.2Å; L148-Y276 HydrophobicContact CD2-CE2 3.62Å; F226-Y276 HydrophobicContact CD2-CD1 4.02Å; F226-Y276 AromaticContact CD2-CE1 3.7Å; F226-Y276 HydrophobicContact CD2-CE1 3.7Å; F226-Y276 HydrophobicContact CE2-CD1 4.18Å; F226-Y276 HydrophobicContact CE2-CE1 4.31Å; L227-Y276 HydrophobicContact CD2-CD1 4.29Å; L227-Y276 HydrophobicContact CD2-CE1 4.36Å; F272-Y276 WeakPolarHBondContact O-CD2 3.4Å; F272-Y276 PolarHBondContact O-N 3.45Å; L273-Y276 PolarHBondContact O-N 3.43Å; Y276-L278 PolarHBondContact O-N 2.88Å; Y276-I279 PolarHBondContact O-N 3.16Å; Y276-L280 VanDerWaalsContact O-CB 3.24Å; Y276-L280 WeakPolarHBondContact O-CB 3.35Å; Y276-L280 WeakPolarHBondContact O-CD1 3.4Å; Y276-L280 WeakPolarHBondContact O-CG 3.47Å; Y276-L280 PolarHBondContact O-N 2.9Å
277	E	94	Very high	86.9	Confident	97 Å²	97	56.7 Å²	56.7	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-46.8	173.1	-176.5	-172.6	166.4	0	0	111.7	H255 I259 L273 K274 I275 L280 S281	H255-E277 IonicContact CD2-OE1 3.36Å; I259-E277 HydrophobicContact CD1-CB 4.43Å; I259-E277 HydrophobicContact CD1-CG 4.32Å; L273-E277 WeakPolarHBondContact O-CB 3.29Å; L273-E277 PolarHBondContact O-N 3.38Å; K274-E277 WeakPolarHBondContact O-CB 3.48Å; K274-E277 PolarHBondContact O-N 3.18Å; I275-E277 VanDerWaalsContact C-N 3.33Å; I275-E277 PolarHBondContact O-N 2.67Å; E277-L280 PolarHBondContact O-N 3.28Å; E277-S281 WeakPolarHBondContact O-CB 3.44Å; E277-S281 PolarHBondContact O-N 2.78Å
278	L	95.1	Very high	86.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-53	176.9	174.5	62.3	0	0	0	111.2	F175 I220 Q256 I259 L260 I263 K274 I275 Y276 L280 S281 C282	F175-L278 HydrophobicContact CE2-CD2 4.02Å; F175-L278 HydrophobicContact CE2-CG 4.46Å; F175-L278 HydrophobicContact CZ-CD1 4.16Å; F175-L278 HydrophobicContact CZ-CD2 4.32Å; F175-L278 HydrophobicContact CZ-CG 4.3Å; I220-L278 HydrophobicContact CD1-CD2 3.74Å; Q256-L278 HydrophobicContact CB-CD1 3.61Å; Q256-L278 HydrophobicContact CG-CD1 3.74Å; I259-L278 HydrophobicContact CD1-CB 4.32Å; I259-L278 HydrophobicContact CG2-CB 4.08Å; I259-L278 HydrophobicContact CG2-CD2 4.17Å; L260-L278 HydrophobicContact CD2-CD2 3.77Å; L260-L278 HydrophobicContact CG-CD2 3.99Å; I263-L278 HydrophobicContact CD1-CD2 4.24Å; K274-L278 WeakPolarHBondContact O-CB 3.37Å; K274-L278 PolarHBondContact O-N 2.73Å; I275-L278 WeakPolarHBondContact O-CB 3.34Å; I275-L278 PolarHBondContact O-N 3.45Å; Y276-L278 PolarHBondContact O-N 2.88Å; L278-L280 PolarHBondContact O-N 2.76Å; L278-S281 PolarHBondContact O-N 2.99Å; L278-C282 PolarHBondContact O-N 2.69Å; L278-C282 PolarHBondContact O-SG 3.3Å; L278-C282 VanDerWaalsContact O-SG 3.33Å
279	I	94	Very high	85.6	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-50.1	179.3	-65.9	166.4	0	0	0	110.4	L148 L173 I220 F222 F226 I275 Y276 S281 C282 L283	L148-I279 HydrophobicContact CD2-CD1 4.36Å; L173-I279 HydrophobicContact CD1-CB 4.44Å; L173-I279 HydrophobicContact CD1-CG1 4.05Å; I220-I279 HydrophobicContact CG2-CD1 4.07Å; I220-I279 HydrophobicContact CG2-CG1 4.39Å; F222-I279 HydrophobicContact CB-CD1 4.19Å; F222-I279 HydrophobicContact CD1-CD1 4.19Å; F222-I279 HydrophobicContact CD1-CG1 4.34Å; F222-I279 HydrophobicContact CD1-CG2 4.32Å; F222-I279 HydrophobicContact CD2-CG2 4Å; F222-I279 HydrophobicContact CE1-CG2 4.06Å; F222-I279 HydrophobicContact CE2-CG2 3.71Å; F222-I279 HydrophobicContact CG-CD1 4.12Å; F222-I279 HydrophobicContact CG-CG2 4.29Å; F222-I279 HydrophobicContact CZ-CG2 3.73Å; F226-I279 HydrophobicContact CE1-CG2 4.33Å; F226-I279 HydrophobicContact CE2-CB 4.48Å; F226-I279 HydrophobicContact CE2-CG2 3.78Å; F226-I279 HydrophobicContact CZ-CG2 3.59Å; I275-I279 HydrophobicContact CG2-CD1 3.84Å; I275-I279 HydrophobicContact CG2-CG1 4.45Å; I275-I279 VanDerWaalsContact O-CG1 3.32Å; I275-I279 WeakPolarHBondContact O-CG1 3.26Å; I275-I279 PolarHBondContact O-N 3.1Å; Y276-I279 PolarHBondContact O-N 3.16Å; I279-S281 VanDerWaalsContact C-N 3.35Å; I279-S281 PolarHBondContact O-N 3.39Å; I279-C282 PolarHBondContact O-N 2.96Å; I279-L283 HydrophobicContact CG2-CD1 3.75Å; I279-L283 HydrophobicContact CG2-CG 4.36Å; I279-L283 WeakPolarHBondContact O-CB 3.07Å; I279-L283 VanDerWaalsContact O-CG 3.3Å; I279-L283 WeakPolarHBondContact O-CG 3.25Å; I279-L283 PolarHBondContact O-N 3.12Å
280	L	92.5	Very high	84	Confident	78 Å²	78	55.2 Å²	55.2	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-40.7	-179.6	-71	171.2	0	0	0	112.1	F226 L227 Y276 E277 L278 L283 N284	F226-L280 HydrophobicContact CE2-CD2 4.46Å; F226-L280 HydrophobicContact CZ-CD2 4.24Å; L227-L280 HydrophobicContact CD1-CD2 3.8Å; L227-L280 HydrophobicContact CD2-CD2 4.35Å; Y276-L280 VanDerWaalsContact O-CB 3.24Å; Y276-L280 WeakPolarHBondContact O-CB 3.35Å; Y276-L280 WeakPolarHBondContact O-CD1 3.4Å; Y276-L280 WeakPolarHBondContact O-CG 3.47Å; Y276-L280 PolarHBondContact O-N 2.9Å; E277-L280 PolarHBondContact O-N 3.28Å; L278-L280 PolarHBondContact O-N 2.76Å; L280-L283 PolarHBondContact O-N 3.04Å; L280-N284 WeakPolarHBondContact O-CB 3.38Å; L280-N284 PolarHBondContact O-N 3.23Å
281	S	92.2	Very high	82.3	Confident	25 Å²	25	56.6 Å²	56.6	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-47	176.8	-170.7	0	0	0	0	110.9	H255 Q256 E277 L278 I279 N284 E285	H255-S281 PolarHBondContact NE2-OG 3.07Å; Q256-S281 PolarHBondContact NE2-OG 2.82Å; E277-S281 WeakPolarHBondContact O-CB 3.44Å; E277-S281 PolarHBondContact O-N 2.78Å; L278-S281 PolarHBondContact O-N 2.99Å; I279-S281 VanDerWaalsContact C-N 3.35Å; I279-S281 PolarHBondContact O-N 3.39Å; S281-N284 PolarHBondContact O-N 3.44Å; S281-E285 PolarHBondContact O-N 2.94Å
282	C	91	Very high	80.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-42.8	177.3	-66.6	0	0	0	0	111.8	L173 L250 L278 I279 N284 E285 I286	L173-C282 HydrophobicContact CD1-CB 4.31Å; L173-C282 HydrophobicContact CD2-CB 4.03Å; L250-C282 HydrophobicContact CD1-CB 3.99Å; L278-C282 PolarHBondContact O-N 2.69Å; L278-C282 PolarHBondContact O-SG 3.3Å; L278-C282 VanDerWaalsContact O-SG 3.33Å; I279-C282 PolarHBondContact O-N 2.96Å; C282-N284 VanDerWaalsContact C-N 3.3Å; C282-N284 PolarHBondContact O-N 3.35Å; C282-E285 PolarHBondContact O-N 3.32Å; C282-I286 WeakPolarHBondContact O-CG1 3.33Å; C282-I286 PolarHBondContact O-N 3Å
283	L	88.3	Confident	78	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-38.1	178.4	-73.1	169.6	0	0	0	112.7	I199 F222 F226 I236 L239 I279 L280 I286 G287	I199-L283 HydrophobicContact CD1-CD2 3.87Å; F222-L283 HydrophobicContact CE2-CD1 4.3Å; F222-L283 HydrophobicContact CZ-CD2 4.45Å; F226-L283 HydrophobicContact CE1-CD1 4.05Å; F226-L283 HydrophobicContact CZ-CD1 3.79Å; I236-L283 HydrophobicContact CD1-CD1 3.55Å; I236-L283 HydrophobicContact CD1-CD2 4.4Å; L239-L283 HydrophobicContact CD1-CD2 4.29Å; I279-L283 HydrophobicContact CG2-CD1 3.75Å; I279-L283 HydrophobicContact CG2-CG 4.36Å; I279-L283 WeakPolarHBondContact O-CB 3.07Å; I279-L283 VanDerWaalsContact O-CG 3.3Å; I279-L283 WeakPolarHBondContact O-CG 3.25Å; I279-L283 PolarHBondContact O-N 3.12Å; L280-L283 PolarHBondContact O-N 3.04Å; L283-I286 HydrophobicContact CD2-CD1 4.26Å; L283-I286 PolarHBondContact O-N 3.34Å; L283-G287 PolarHBondContact O-N 3.02Å
284	N	85.7	Confident	76.1	Confident	111 Å²	111	57 Å²	57	59%	0.594	34%	0.34	S	S	*	.	H	α-helix	trans	-68.7	-33.6	179.8	-156.4	17.9	0	0	0	112.4	L280 S281 C282 I286 N288	L280-N284 WeakPolarHBondContact O-CB 3.38Å; L280-N284 PolarHBondContact O-N 3.23Å; S281-N284 PolarHBondContact O-N 3.44Å; C282-N284 VanDerWaalsContact C-N 3.3Å; C282-N284 PolarHBondContact O-N 3.35Å; N284-I286 VanDerWaalsContact C-N 3.29Å; N284-I286 PolarHBondContact O-N 3.42Å; N284-N288 PolarHBondContact O-ND2 3.38Å
285	E	80.7	Confident	74	Confident	65 Å²	65	62 Å²	62	30%	0.304	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-35.9	173.7	-73.7	173.1	-147.1	0	0	112.2	Q256 S281 C282	Q256-E285 PolarHBondContact NE2-OE1 2.9Å; S281-E285 PolarHBondContact O-N 2.94Å; C282-E285 PolarHBondContact O-N 3.32Å
286	I	79.3	Confident	71.9	Confident	9 Å²	9	71.4 Å²	71.4	5%	0.046	40%	0.402	C	S	.	.	H	α-helix	trans	-69.1	-45	-178.5	-58.2	157	0	0	0	110.9	I199 L239 F245 R248 L250 C282 L283 N284 N288 S289	I199-I286 HydrophobicContact CB-CD1 4.29Å; I199-I286 HydrophobicContact CD1-CD1 3.5Å; I199-I286 HydrophobicContact CG1-CD1 4.36Å; I199-I286 HydrophobicContact CG2-CD1 3.56Å; I199-I286 HydrophobicContact CG2-CG1 4.14Å; L239-I286 HydrophobicContact CD2-CG2 3.82Å; F245-I286 HydrophobicContact CE2-CG2 4.16Å; F245-I286 HydrophobicContact CZ-CD1 4.13Å; F245-I286 HydrophobicContact CZ-CG2 4.12Å; R248-I286 PolarHBondContact NH1-O 3.45Å; L250-I286 HydrophobicContact CD2-CG1 4.28Å; C282-I286 WeakPolarHBondContact O-CG1 3.33Å; C282-I286 PolarHBondContact O-N 3Å; L283-I286 HydrophobicContact CD2-CD1 4.26Å; L283-I286 PolarHBondContact O-N 3.34Å; N284-I286 VanDerWaalsContact C-N 3.29Å; N284-I286 PolarHBondContact O-N 3.42Å; I286-N288 PolarHBondContact O-N 3.47Å; I286-N288 VanDerWaalsContact O-N 3.09Å; I286-S289 PolarHBondContact O-N 2.87Å
287	G	70.9	Confident	70.2	Confident	49 Å²	49	70.7 Å²	70.7	51%	0.505	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-25.1	-176.2	0	0	0	0	0	114.2	L283	L283-G287 PolarHBondContact O-N 3.02Å
288	N	65.5	Low	68.4	Low	128 Å²	128	69.3 Å²	69.3	68%	0.684	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	8.2	-171.6	-70.9	-41.6	0	0	0	115.6	N284 I286	N284-N288 PolarHBondContact O-ND2 3.38Å; I286-N288 PolarHBondContact O-N 3.47Å; I286-N288 VanDerWaalsContact O-N 3.09Å
289	S	55.7	Low	66.7	Low	48 Å²	48	76.6 Å²	76.6	34%	0.336	43%	0.431	S	S	.	.	S	Bend	trans	-131.6	155.7	-173.2	-78.7	0	0	0	0	114	R248 I286	R248-S289 VanDerWaalsContact CZ-CB 3.41Å; R248-S289 PolarHBondContact NH2-OG 3.38Å; I286-S289 PolarHBondContact O-N 2.87Å
290	P	48.8	Very low	65	Low	121 Å²	121	80.2 Å²	80.2	79%	0.786	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-65.2	141	-177.6	-5.8	19.7	0	0	0	110.7	S292	P290-S292 PolarHBondContact O-N 2.99Å
291	A	48.1	Very low	63.6	Low	65 Å²	65	78.2 Å²	78.2	54%	0.537	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.5	129.4	176.1	0	0	0	0	0	110.3
292	S	46.9	Very low	62.2	Low	82 Å²	82	78.5 Å²	78.5	57%	0.573	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-69.8	146.4	169.8	48.5	0	0	0	0	110.1	P290 E294	P290-S292 PolarHBondContact O-N 2.99Å; S292-E294 VanDerWaalsContact O-CG 3.24Å; S292-E294 WeakPolarHBondContact O-CG 3.36Å
293	S	39.5	Very low	60.9	Low	127 Å²	127	84.3 Å²	84.3	89%	0.888	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-67.1	136.4	-174.5	62.6	0	0	0	0	113.1
294	E	51.1	Low	59.8	Low	61 Å²	61	84.4 Å²	84.4	29%	0.285	47%	0.465	S	S	.	.			trans	-119.8	149.8	-163.1	-66.9	133.8	163	0	0	113.9	N244 S292	N244-E294 WeakPolarHBondContact CA-OE1 3.4Å; N244-E294 HydrophobicContact CB-CG 4.11Å; N244-E294 WeakPolarHBondContact CB-OE1 3.39Å; N244-E294 WeakPolarHBondContact CB-OE2 3.3Å; N244-E294 PolarHBondContact ND2-OE2 2.99Å; N244-E294 WeakPolarHBondContact O-CG 3.13Å; S292-E294 VanDerWaalsContact O-CG 3.24Å; S292-E294 WeakPolarHBondContact O-CG 3.36Å
295	K	48.6	Very low	58.8	Low	170 Å²	170	79.5 Å²	79.5	74%	0.739	44%	0.438	S	S	*	.			trans	-118.9	143.7	168	-72.6	179	-177.9	166.6	0	109.4	E297	K295-E297 PolarHBondContact O-N 3.29Å
296	K	49.8	Very low	58.1	Low	199 Å²	199	78.7 Å²	78.7	87%	0.865	44%	0.436	S	S	*	.			trans	-58	127.7	174.4	-91.1	-177.6	170.3	-176.6	0	110.6
297	E	56	Low	57.5	Low	37 Å²	37	81.4 Å²	81.4	17%	0.173	45%	0.447	C	S	.	.			trans	-75	145.2	165.9	-95	177.3	164	0	0	111.2	R204 K295 Q299 Y302	R204-E297 VanDerWaalsContact CD-OE2 3.23Å; R204-E297 WeakPolarHBondContact CD-OE2 3.5Å; R204-E297 IonicContact CZ-OE2 2.84Å; R204-E297 IonicContact NE-OE2 2.7Å; R204-E297 IonicContact NH1-OE2 2.66Å; R204-E297 PolarHBondContact NH1-OE2 2.9Å; K295-E297 PolarHBondContact O-N 3.29Å; E297-Q299 PolarHBondContact O-N 3.35Å; E297-Y302 HydrophobicContact CB-CE2 4.36Å; E297-Y302 PolarHBondContact OE1-OH 2.92Å; E297-Y302 PolarHBondContact OE2-OH 3.44Å
298	D	56.4	Low	57.4	Low	68 Å²	68	79 Å²	79	36%	0.364	42%	0.423	S	S	.	.			trans	-77	109	177.2	-83.9	-48.6	0	0	0	109.8	K187 D300 I301	K187-D298 IonicContact NZ-OD2 2.65Å; K187-D298 PolarHBondContact NZ-OD2 3.46Å; D298-D300 PolarHBondContact O-N 3.45Å; D298-I301 PolarHBondContact O-N 3.31Å
299	Q	59.2	Low	57.6	Low	154 Å²	154	74.7 Å²	74.7	72%	0.72	40%	0.399	S	S	*	.	H	α-helix	trans	-59.6	-28.2	178.1	-75	-171.7	-39.6	0	0	113.1	E297 I301 Y302 Q303	E297-Q299 PolarHBondContact O-N 3.35Å; Q299-I301 PolarHBondContact O-N 2.8Å; Q299-Y302 WeakPolarHBondContact O-CB 3.28Å; Q299-Y302 PolarHBondContact O-N 3.5Å; Q299-Y302 VanDerWaalsContact O-N 3.13Å; Q299-Q303 PolarHBondContact O-N 3.33Å
300	D	58.3	Low	58.2	Low	75 Å²	75	79.2 Å²	79.2	40%	0.401	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-31.1	-177.9	-57.5	-17.4	0	0	0	111.4	D298 Y302 Q303 L304 Y325	D298-D300 PolarHBondContact O-N 3.45Å; D300-Y302 VanDerWaalsContact C-N 3.29Å; D300-Y302 PolarHBondContact O-N 3.02Å; D300-Q303 PolarHBondContact O-N 3.02Å; D300-L304 PolarHBondContact O-N 2.86Å; D300-Y325 VanDerWaalsContact C-CE2 3.49Å; D300-Y325 HydrophobicContact CB-CD2 3.5Å; D300-Y325 VanDerWaalsContact CB-CD2 3.5Å; D300-Y325 HydrophobicContact CB-CE2 3.55Å; D300-Y325 WeakPolarHBondContact O-CD2 3.36Å
301	I	64	Low	59.3	Low	37 Å²	37	75 Å²	75	19%	0.19	39%	0.386	C	S	.	.	H	α-helix	trans	-67.1	-34.4	179.3	-119.6	159.8	0	0	0	110.7	L205 D298 Q299 L304 L305 Y325	L205-I301 HydrophobicContact CD2-CG2 3.42Å; L205-I301 VanDerWaalsContact CD2-CG2 3.42Å; D298-I301 PolarHBondContact O-N 3.31Å; Q299-I301 PolarHBondContact O-N 2.8Å; I301-L304 WeakPolarHBondContact O-CB 3.38Å; I301-L304 PolarHBondContact O-N 3.44Å; I301-L305 HydrophobicContact CG2-CD1 4.28Å; I301-L305 VanDerWaalsContact O-CG 3.26Å; I301-L305 WeakPolarHBondContact O-CG 3.46Å; I301-L305 PolarHBondContact O-N 3.18Å; I301-Y325 HydrophobicContact CB-CE2 3.87Å; I301-Y325 HydrophobicContact CD1-CE2 4.33Å; I301-Y325 WeakPolarHBondContact CD1-OH 3.5Å; I301-Y325 HydrophobicContact CG1-CD2 4.44Å; I301-Y325 HydrophobicContact CG1-CE1 4.17Å; I301-Y325 HydrophobicContact CG1-CE2 3.64Å; I301-Y325 VanDerWaalsContact CG1-CZ 3.48Å; I301-Y325 WeakPolarHBondContact CG1-OH 3.26Å; I301-Y325 VanDerWaalsContact N-CE2 3.28Å
302	Y	63.2	Low	60.3	Low	31 Å²	31	73.1 Å²	73.1	12%	0.122	37%	0.365	C	S	.	.	H	α-helix	trans	-70.8	-38.8	179.1	-68.7	-84.1	0	0	0	111.2	W167 R203 R204 L205 E297 Q299 D300 L304 L305 N306	W167-Y302 HydrophobicContact CB-CD1 4.24Å; W167-Y302 HydrophobicContact CB-CE1 4.05Å; W167-Y302 AromaticContact CD2-CD1 3.96Å; W167-Y302 HydrophobicContact CD2-CD1 3.96Å; W167-Y302 HydrophobicContact CD2-CE1 4.48Å; W167-Y302 HydrophobicContact CE3-CD1 4.34Å; W167-Y302 AromaticContact CG-CD1 3.85Å; W167-Y302 HydrophobicContact CG-CD1 3.85Å; W167-Y302 HydrophobicContact CG-CE1 4.17Å; R203-Y302 WeakPolarHBondContact O-CE1 3.44Å; R203-Y302 PolarHBondContact O-OH 2.94Å; R204-Y302 WeakPolarHBondContact CA-OH 3.46Å; L205-Y302 HydrophobicContact CB-CE1 3.87Å; L205-Y302 PolarHBondContact N-OH 3.26Å; E297-Y302 HydrophobicContact CB-CE2 4.36Å; E297-Y302 PolarHBondContact OE1-OH 2.92Å; E297-Y302 PolarHBondContact OE2-OH 3.44Å; Q299-Y302 WeakPolarHBondContact O-CB 3.28Å; Q299-Y302 PolarHBondContact O-N 3.5Å; Q299-Y302 VanDerWaalsContact O-N 3.13Å; D300-Y302 VanDerWaalsContact C-N 3.29Å; D300-Y302 PolarHBondContact O-N 3.02Å; Y302-L304 VanDerWaalsContact C-N 3.32Å; Y302-L305 PolarHBondContact O-N 3.48Å; Y302-N306 VanDerWaalsContact O-CB 3.29Å; Y302-N306 WeakPolarHBondContact O-CB 3.26Å; Y302-N306 PolarHBondContact O-N 3.47Å; Y302-N306 PolarHBondContact O-ND2 3.16Å
303	Q	63.6	Low	61.2	Low	121 Å²	121	73.7 Å²	73.7	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-63.5	-42.3	174.3	-66.3	-172.9	5.5	0	0	110.9	Q299 D300 F307	Q299-Q303 PolarHBondContact O-N 3.33Å; D300-Q303 PolarHBondContact O-N 3.02Å; Q303-F307 VanDerWaalsContact O-CB 3.32Å; Q303-F307 WeakPolarHBondContact O-CB 3.3Å; Q303-F307 PolarHBondContact O-N 2.83Å
304	L	65.3	Low	62.6	Low	15 Å²	15	73.1 Å²	73.1	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-56.9	-54.7	174.5	171.6	59.9	0	0	0	112.4	D300 I301 Y302 N306 F307 V308 I321 Y325 P330	D300-L304 PolarHBondContact O-N 2.86Å; I301-L304 WeakPolarHBondContact O-CB 3.38Å; I301-L304 PolarHBondContact O-N 3.44Å; Y302-L304 VanDerWaalsContact C-N 3.32Å; L304-N306 VanDerWaalsContact C-N 3.34Å; L304-N306 PolarHBondContact O-N 3.41Å; L304-F307 WeakPolarHBondContact O-CB 3.46Å; L304-F307 PolarHBondContact O-N 2.97Å; L304-F307 VanDerWaalsContact O-N 3.14Å; L304-V308 HydrophobicContact CD1-CG2 4.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.38Å; L304-V308 PolarHBondContact O-N 2.89Å; L304-I321 HydrophobicContact CD1-CB 4.45Å; L304-I321 HydrophobicContact CD1-CG2 2.95Å; L304-I321 HydrophobicContact CG-CG2 4.41Å; L304-Y325 HydrophobicContact CB-CD2 4.29Å; L304-Y325 HydrophobicContact CB-CG 4.21Å; L304-Y325 HydrophobicContact CD2-CD1 3.76Å; L304-Y325 HydrophobicContact CD2-CD2 4.37Å; L304-Y325 HydrophobicContact CD2-CE1 4.48Å; L304-Y325 HydrophobicContact CD2-CG 3.71Å; L304-Y325 HydrophobicContact CG-CG 4.46Å; L304-P330 HydrophobicContact CD1-CB 4.05Å; L304-P330 HydrophobicContact CD2-CB 4.43Å
305	L	63.7	Low	63.2	Low	7 Å²	7	75.1 Å²	75.1	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-41	-175.1	-69.4	170.9	0	0	0	111.3	L205 I301 Y302 F307 V308 H309 Y333	L205-L305 HydrophobicContact CD1-CD1 3.12Å; L205-L305 HydrophobicContact CD2-CD1 3.61Å; L205-L305 HydrophobicContact CG-CD1 3.91Å; I301-L305 HydrophobicContact CG2-CD1 4.28Å; I301-L305 VanDerWaalsContact O-CG 3.26Å; I301-L305 WeakPolarHBondContact O-CG 3.46Å; I301-L305 PolarHBondContact O-N 3.18Å; Y302-L305 PolarHBondContact O-N 3.48Å; L305-F307 VanDerWaalsContact C-N 3.29Å; L305-F307 PolarHBondContact O-N 3.31Å; L305-V308 PolarHBondContact O-N 2.71Å; L305-H309 WeakPolarHBondContact O-CB 3.45Å; L305-H309 PolarHBondContact O-N 2.9Å; L305-Y333 HydrophobicContact CD2-CD1 3.71Å; L305-Y333 HydrophobicContact CD2-CD2 4.35Å; L305-Y333 HydrophobicContact CD2-CE1 3.19Å; L305-Y333 HydrophobicContact CD2-CE2 3.91Å; L305-Y333 HydrophobicContact CD2-CG 4.26Å
306	N	65.6	Low	64.1	Low	49 Å²	49	67.8 Å²	67.8	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-54.9	-47.8	170.4	-99.5	-43.4	0	0	0	112.5	W167 Y302 L304 V308 H309 Q310	W167-N306 WeakPolarHBondContact CZ2-ND2 3.44Å; W167-N306 WeakPolarHBondContact CZ2-OD1 3.4Å; Y302-N306 VanDerWaalsContact O-CB 3.29Å; Y302-N306 WeakPolarHBondContact O-CB 3.26Å; Y302-N306 PolarHBondContact O-N 3.47Å; Y302-N306 PolarHBondContact O-ND2 3.16Å; L304-N306 VanDerWaalsContact C-N 3.34Å; L304-N306 PolarHBondContact O-N 3.41Å; N306-V308 VanDerWaalsContact C-N 3.3Å; N306-V308 PolarHBondContact O-N 2.76Å; N306-H309 PolarHBondContact O-N 3.23Å; N306-Q310 VanDerWaalsContact O-CB 3.31Å; N306-Q310 WeakPolarHBondContact O-CB 3.48Å; N306-Q310 VanDerWaalsContact O-CG 3.26Å; N306-Q310 WeakPolarHBondContact O-CG 3.42Å; N306-Q310 PolarHBondContact O-N 3.15Å
307	F	68.2	Low	64.9	Low	65 Å²	65	62.1 Å²	62.1	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-43.5	179	-177.7	-100.1	0	0	0	110.7	Q303 L304 L305 N311 I316 A320	Q303-F307 VanDerWaalsContact O-CB 3.32Å; Q303-F307 WeakPolarHBondContact O-CB 3.3Å; Q303-F307 PolarHBondContact O-N 2.83Å; L304-F307 WeakPolarHBondContact O-CB 3.46Å; L304-F307 PolarHBondContact O-N 2.97Å; L304-F307 VanDerWaalsContact O-N 3.14Å; L305-F307 VanDerWaalsContact C-N 3.29Å; L305-F307 PolarHBondContact O-N 3.31Å; F307-N311 WeakPolarHBondContact CD2-ND2 3.37Å; F307-N311 WeakPolarHBondContact O-CB 3.36Å; F307-N311 PolarHBondContact O-N 3.11Å; F307-N311 PolarHBondContact O-ND2 2.8Å; F307-I316 HydrophobicContact CD1-CG2 4.45Å; F307-I316 HydrophobicContact CE1-CG2 3.69Å; F307-A320 HydrophobicContact CE1-CB 4.18Å; F307-A320 HydrophobicContact CZ-CB 4.13Å
308	V	67.3	Low	65.1	Low	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-51.5	175.4	175.1	0	0	0	0	111.1	L304 L305 N306 Q310 N311 F312 I316 Y333 T334	L304-V308 HydrophobicContact CD1-CG2 4.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.38Å; L304-V308 PolarHBondContact O-N 2.89Å; L305-V308 PolarHBondContact O-N 2.71Å; N306-V308 VanDerWaalsContact C-N 3.3Å; N306-V308 PolarHBondContact O-N 2.76Å; V308-Q310 VanDerWaalsContact C-N 3.27Å; V308-Q310 PolarHBondContact O-N 3.3Å; V308-N311 CarbonylContact O-C 3.57Å; V308-N311 PolarHBondContact O-N 3.05Å; V308-N311 VanDerWaalsContact O-N 3.1Å; V308-F312 HydrophobicContact CG1-CB 4.49Å; V308-F312 WeakPolarHBondContact O-CA 3.1Å; V308-F312 VanDerWaalsContact O-CB 3.26Å; V308-F312 WeakPolarHBondContact O-CB 3.5Å; V308-F312 PolarHBondContact O-N 3.43Å; V308-I316 HydrophobicContact CG2-CD1 4.48Å; V308-Y333 HydrophobicContact CB-CD1 4.34Å; V308-Y333 HydrophobicContact CB-CE1 4.16Å; V308-Y333 HydrophobicContact CG1-CD1 3.95Å; V308-Y333 HydrophobicContact CG1-CE1 3.8Å; V308-Y333 HydrophobicContact CG2-CD1 4.31Å; V308-T334 HydrophobicContact CG1-CG2 4.2Å
309	H	70.3	Confident	65.3	Low	36 Å²	36	64.8 Å²	64.8	17%	0.167	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-33.8	-178.4	-64.4	168.8	0	0	0	113.4	L305 N306 F312 Y333 Y337	L305-H309 WeakPolarHBondContact O-CB 3.45Å; L305-H309 PolarHBondContact O-N 2.9Å; N306-H309 PolarHBondContact O-N 3.23Å; H309-F312 VanDerWaalsContact O-CD1 3.24Å; H309-F312 WeakPolarHBondContact O-CD1 3.5Å; H309-Y333 AromaticContact NE2-CZ 3.86Å; H309-Y333 PolarHBondContact NE2-OH 3.15Å; H309-Y337 AromaticContact CD2-CD2 3.74Å; H309-Y337 AromaticContact CD2-CE1 3.78Å; H309-Y337 AromaticContact CD2-CE2 3.32Å; H309-Y337 WeakPolarHBondContact CD2-CE2 3.45Å; H309-Y337 AromaticContact CD2-CZ 3.34Å; H309-Y337 AromaticContact CG-CZ 3.99Å; H309-Y337 AromaticContact NE2-CD2 3.67Å; H309-Y337 AromaticContact NE2-CE2 3.35Å; H309-Y337 VanDerWaalsContact NE2-CE2 3.35Å; H309-Y337 WeakPolarHBondContact NE2-CE2 3.41Å; H309-Y337 AromaticContact NE2-CZ 3.87Å
310	Q	69.5	Low	65.4	Low	143 Å²	143	58.8 Å²	58.8	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-82.3	-23.7	177.8	-68.6	177.6	3.5	0	0	113	N306 V308	N306-Q310 VanDerWaalsContact O-CB 3.31Å; N306-Q310 WeakPolarHBondContact O-CB 3.48Å; N306-Q310 VanDerWaalsContact O-CG 3.26Å; N306-Q310 WeakPolarHBondContact O-CG 3.42Å; N306-Q310 PolarHBondContact O-N 3.15Å; V308-Q310 VanDerWaalsContact C-N 3.27Å; V308-Q310 PolarHBondContact O-N 3.3Å
311	N	70.4	Confident	65.4	Low	34 Å²	34	55.2 Å²	55.2	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-122.5	5.8	-170.9	-57.8	-86.1	0	0	0	113.9	F307 V308 Q313 Q314 I316	F307-N311 WeakPolarHBondContact CD2-ND2 3.37Å; F307-N311 WeakPolarHBondContact O-CB 3.36Å; F307-N311 PolarHBondContact O-N 3.11Å; F307-N311 PolarHBondContact O-ND2 2.8Å; V308-N311 CarbonylContact O-C 3.57Å; V308-N311 PolarHBondContact O-N 3.05Å; V308-N311 VanDerWaalsContact O-N 3.1Å; N311-Q313 PolarHBondContact O-N 3.08Å; N311-Q314 WeakPolarHBondContact O-CB 3.44Å; N311-Q314 PolarHBondContact O-N 3.39Å; N311-I316 HydrophobicContact CB-CD1 4.1Å; N311-I316 HydrophobicContact CB-CG1 4.45Å; N311-I316 WeakPolarHBondContact O-CD1 3.39Å; N311-I316 WeakPolarHBondContact O-CG1 3.34Å
312	F	70.4	Confident	65	Low	24 Å²	24	55.7 Å²	55.7	11%	0.105	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.3	-175	75.5	-81.2	0	0	0	113	V308 H309 Q314 Y337 R338 K341	V308-F312 HydrophobicContact CG1-CB 4.49Å; V308-F312 WeakPolarHBondContact O-CA 3.1Å; V308-F312 VanDerWaalsContact O-CB 3.26Å; V308-F312 WeakPolarHBondContact O-CB 3.5Å; V308-F312 PolarHBondContact O-N 3.43Å; H309-F312 VanDerWaalsContact O-CD1 3.24Å; H309-F312 WeakPolarHBondContact O-CD1 3.5Å; F312-Q314 PolarHBondContact O-N 3.21Å; F312-Y337 HydrophobicContact CB-CD1 4Å; F312-Y337 HydrophobicContact CB-CE1 4.29Å; F312-Y337 HydrophobicContact CD1-CD1 4.19Å; F312-Y337 AromaticContact CD1-CE1 3.63Å; F312-Y337 HydrophobicContact CD1-CE1 3.63Å; F312-Y337 HydrophobicContact CD2-CD1 4.27Å; F312-Y337 HydrophobicContact CD2-CE1 4.28Å; F312-Y337 AromaticContact CE1-CE1 3.94Å; F312-Y337 HydrophobicContact CE1-CE1 3.94Å; F312-Y337 AromaticContact CG-CD1 3.89Å; F312-Y337 HydrophobicContact CG-CD1 3.89Å; F312-Y337 AromaticContact CG-CE1 3.8Å; F312-Y337 HydrophobicContact CG-CE1 3.8Å; F312-Y337 HydrophobicContact CZ-CE1 4.38Å; F312-R338 HydrophobicContact CB-CG 4.25Å; F312-R338 HydrophobicContact CD2-CG 4.02Å; F312-R338 PolarHBondContact O-NE 3.09Å; F312-R338 PolarHBondContact O-NH2 3.45Å; F312-K341 HydrophobicContact CE2-CB 4.19Å; F312-K341 HydrophobicContact CE2-CG 4.16Å; F312-K341 HydrophobicContact CZ-CG 4.19Å
313	Q	64.9	Low	64.6	Low	94 Å²	94	62.9 Å²	62.9	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0	175.7	-59.4	-168.5	-42	0	0	114.1	N311 A359	N311-Q313 PolarHBondContact O-N 3.08Å; Q313-A359 PolarHBondContact NE2-O 3.24Å; Q313-A359 VanDerWaalsContact NE2-O 3.1Å
314	Q	69.4	Low	64	Low	116 Å²	116	58.1 Å²	58.1	54%	0.542	32%	0.317	S	S	.	.	S	Bend	trans	-116.6	155	177.4	-53.6	178.9	24.1	0	0	109.4	N311 F312 I316 R338 E361	N311-Q314 WeakPolarHBondContact O-CB 3.44Å; N311-Q314 PolarHBondContact O-N 3.39Å; F312-Q314 PolarHBondContact O-N 3.21Å; Q314-I316 VanDerWaalsContact C-N 3.35Å; Q314-I316 VanDerWaalsContact O-CG1 3.25Å; Q314-I316 WeakPolarHBondContact O-CG1 3.44Å; Q314-I316 PolarHBondContact O-N 3.29Å; Q314-R338 PolarHBondContact O-NH2 3.31Å; Q314-E361 VanDerWaalsContact C-OE2 3.29Å
315	D	64.1	Low	63.3	Low	103 Å²	103	59 Å²	59	55%	0.551	32%	0.32	S	S	*	.			trans	-61.6	92.4	174.3	-100.2	-29.8	0	0	0	111	K87 T317 E361	K87-D315 WeakPolarHBondContact CD-OD2 2.92Å; K87-D315 IonicContact NZ-OD1 3.39Å; K87-D315 PolarHBondContact NZ-OD1 3.28Å; K87-D315 IonicContact NZ-OD2 2.75Å; K87-D315 PolarHBondContact NZ-OD2 2.93Å; D315-T317 PolarHBondContact O-N 3.01Å; D315-E361 PolarHBondContact N-OE1 3.29Å
316	I	66.4	Low	62.2	Low	15 Å²	15	64 Å²	64	8%	0.077	35%	0.351	C	S	.	.			trans	-79.7	112.6	178.6	-45.6	-168	0	0	0	108.8	F307 V308 N311 Q314 A320 I321 M331 T334	F307-I316 HydrophobicContact CD1-CG2 4.45Å; F307-I316 HydrophobicContact CE1-CG2 3.69Å; V308-I316 HydrophobicContact CG2-CD1 4.48Å; N311-I316 HydrophobicContact CB-CD1 4.1Å; N311-I316 HydrophobicContact CB-CG1 4.45Å; N311-I316 WeakPolarHBondContact O-CD1 3.39Å; N311-I316 WeakPolarHBondContact O-CG1 3.34Å; Q314-I316 VanDerWaalsContact C-N 3.35Å; Q314-I316 VanDerWaalsContact O-CG1 3.25Å; Q314-I316 WeakPolarHBondContact O-CG1 3.44Å; Q314-I316 PolarHBondContact O-N 3.29Å; I316-A320 HydrophobicContact CG2-CB 4.43Å; I316-I321 HydrophobicContact CB-CD1 4.26Å; I316-I321 HydrophobicContact CB-CG1 4.41Å; I316-I321 HydrophobicContact CG2-CD1 3.54Å; I316-I321 HydrophobicContact CG2-CG1 3.22Å; I316-M331 WeakPolarHBondContact O-CE 3.29Å; I316-T334 HydrophobicContact CD1-CG2 3.87Å; I316-T334 HydrophobicContact CG1-CG2 4.32Å
317	T	66.2	Low	61	Low	81 Å²	81	68.4 Å²	68.4	50%	0.497	37%	0.374	S	S	.	.			trans	-82.7	149.1	177.3	64.1	0	0	0	0	111.6	D315 A319 A320 I321	D315-T317 PolarHBondContact O-N 3.01Å; T317-A319 PolarHBondContact O-N 2.84Å; T317-A320 WeakPolarHBondContact O-CB 3.37Å; T317-A320 PolarHBondContact O-N 3.37Å; T317-A320 PolarHBondContact OG1-N 3.15Å; T317-I321 WeakPolarHBondContact O-CG1 3.27Å; T317-I321 PolarHBondContact O-N 3.41Å; T317-I321 VanDerWaalsContact O-N 3.1Å
318	V	61	Low	59.8	Low	91 Å²	91	72.9 Å²	72.9	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-51.4	-35.8	173.7	-178.8	0	0	0	0	111.3	I321 A322 M331	V318-I321 PolarHBondContact O-N 2.95Å; V318-A322 WeakPolarHBondContact O-CB 3.38Å; V318-A322 PolarHBondContact O-N 2.97Å; V318-M331 HydrophobicContact CB-CE 4.21Å; V318-M331 HydrophobicContact CG2-CE 3.41Å; V318-M331 VanDerWaalsContact CG2-CE 3.41Å
319	A	60.9	Low	59.1	Low	70 Å²	70	76.5 Å²	76.5	58%	0.579	42%	0.421	S	S	*	.	H	α-helix	trans	-65.4	-41.5	177.3	0	0	0	0	0	113	T317 I321 Q323	T317-A319 PolarHBondContact O-N 2.84Å; A319-I321 VanDerWaalsContact C-N 3.28Å; A319-I321 PolarHBondContact O-N 2.76Å; A319-Q323 PolarHBondContact O-N 3.39Å; A319-Q323 VanDerWaalsContact O-N 3.11Å
320	A	60.8	Low	58.5	Low	28 Å²	28	75.4 Å²	75.4	23%	0.231	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-37.9	175.4	0	0	0	0	0	111.2	F307 I316 T317	F307-A320 HydrophobicContact CE1-CB 4.18Å; F307-A320 HydrophobicContact CZ-CB 4.13Å; I316-A320 HydrophobicContact CG2-CB 4.43Å; T317-A320 WeakPolarHBondContact O-CB 3.37Å; T317-A320 PolarHBondContact O-N 3.37Å; T317-A320 PolarHBondContact OG1-N 3.15Å
321	I	59.1	Low	58	Low	0 Å²	0	70.9 Å²	70.9	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-79.4	-36.2	-180	-43.3	174	0	0	0	112.9	L304 I316 T317 V318 A319 Q323 A324 Y325 P330 M331	L304-I321 HydrophobicContact CD1-CB 4.45Å; L304-I321 HydrophobicContact CD1-CG2 2.95Å; L304-I321 HydrophobicContact CG-CG2 4.41Å; I316-I321 HydrophobicContact CB-CD1 4.26Å; I316-I321 HydrophobicContact CB-CG1 4.41Å; I316-I321 HydrophobicContact CG2-CD1 3.54Å; I316-I321 HydrophobicContact CG2-CG1 3.22Å; T317-I321 WeakPolarHBondContact O-CG1 3.27Å; T317-I321 PolarHBondContact O-N 3.41Å; T317-I321 VanDerWaalsContact O-N 3.1Å; V318-I321 PolarHBondContact O-N 2.95Å; A319-I321 VanDerWaalsContact C-N 3.28Å; A319-I321 PolarHBondContact O-N 2.76Å; I321-Q323 PolarHBondContact O-N 3.33Å; I321-A324 CarbonylContact O-C 3.57Å; I321-A324 WeakPolarHBondContact O-CA 3.38Å; I321-A324 WeakPolarHBondContact O-CB 3.35Å; I321-A324 PolarHBondContact O-N 3.02Å; I321-Y325 PolarHBondContact O-N 3.14Å; I321-P330 HydrophobicContact CB-CB 3.73Å; I321-P330 HydrophobicContact CB-CG 3.9Å; I321-P330 HydrophobicContact CD1-CB 3.78Å; I321-P330 HydrophobicContact CG1-CB 4.29Å; I321-P330 HydrophobicContact CG2-CB 3.04Å; I321-P330 HydrophobicContact CG2-CG 3.45Å; I321-P330 VanDerWaalsContact CG2-CG 3.45Å; I321-M331 HydrophobicContact CD1-CE 3.79Å
322	A	55.5	Low	57.2	Low	46 Å²	46	73.9 Å²	73.9	38%	0.38	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-26	175.6	0	0	0	0	0	112.4	V318 A324 Y325	V318-A322 WeakPolarHBondContact O-CB 3.38Å; V318-A322 PolarHBondContact O-N 2.97Å; A322-A324 VanDerWaalsContact C-N 3.28Å; A322-Y325 WeakPolarHBondContact CA-O 3.4Å
323	Q	54.3	Low	56.7	Low	182 Å²	182	74.1 Å²	74.1	85%	0.85	41%	0.413	S	S	*	.	H	α-helix	trans	-67.8	-27.5	168.5	-99.2	-178.3	-13	0	0	112.9	A319 I321	A319-Q323 PolarHBondContact O-N 3.39Å; A319-Q323 VanDerWaalsContact O-N 3.11Å; I321-Q323 PolarHBondContact O-N 3.33Å
324	A	52	Low	56.7	Low	22 Å²	22	69.7 Å²	69.7	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-92.8	-23.7	178.3	0	0	0	0	0	113.4	I321 A322	I321-A324 CarbonylContact O-C 3.57Å; I321-A324 WeakPolarHBondContact O-CA 3.38Å; I321-A324 WeakPolarHBondContact O-CB 3.35Å; I321-A324 PolarHBondContact O-N 3.02Å; A322-A324 VanDerWaalsContact C-N 3.28Å
325	Y	48.7	Very low	56.4	Low	34 Å²	34	66.9 Å²	66.9	13%	0.133	38%	0.381	C	S	.	.			trans	-156.5	131.2	-177	-158.6	-110.5	0	0	0	113.2	D300 I301 L304 I321 A322	D300-Y325 VanDerWaalsContact C-CE2 3.49Å; D300-Y325 HydrophobicContact CB-CD2 3.5Å; D300-Y325 VanDerWaalsContact CB-CD2 3.5Å; D300-Y325 HydrophobicContact CB-CE2 3.55Å; D300-Y325 WeakPolarHBondContact O-CD2 3.36Å; I301-Y325 HydrophobicContact CB-CE2 3.87Å; I301-Y325 HydrophobicContact CD1-CE2 4.33Å; I301-Y325 WeakPolarHBondContact CD1-OH 3.5Å; I301-Y325 HydrophobicContact CG1-CD2 4.44Å; I301-Y325 HydrophobicContact CG1-CE1 4.17Å; I301-Y325 HydrophobicContact CG1-CE2 3.64Å; I301-Y325 VanDerWaalsContact CG1-CZ 3.48Å; I301-Y325 WeakPolarHBondContact CG1-OH 3.26Å; I301-Y325 VanDerWaalsContact N-CE2 3.28Å; L304-Y325 HydrophobicContact CB-CD2 4.29Å; L304-Y325 HydrophobicContact CB-CG 4.21Å; L304-Y325 HydrophobicContact CD2-CD1 3.76Å; L304-Y325 HydrophobicContact CD2-CD2 4.37Å; L304-Y325 HydrophobicContact CD2-CE1 4.48Å; L304-Y325 HydrophobicContact CD2-CG 3.71Å; L304-Y325 HydrophobicContact CG-CG 4.46Å; I321-Y325 PolarHBondContact O-N 3.14Å; A322-Y325 WeakPolarHBondContact CA-O 3.4Å
326	T	42	Very low	56.1	Low	112 Å²	112	65.1 Å²	65.1	69%	0.687	37%	0.371	S	S	*	.	S	Bend	trans	-100.6	11.4	-170.4	47.8	0	0	0	0	116.9
327	N	39.8	Very low	55.9	Low	140 Å²	140	65.8 Å²	65.8	75%	0.749	37%	0.373	S	S	*	.	S	Bend	trans	-150.2	17.4	-173	-96.1	-28.2	0	0	0	122.5
328	Q	43.7	Very low	56	Low	159 Å²	159	63 Å²	63	74%	0.743	35%	0.354	S	S	*	.	S	Bend	trans	-152.7	159	163.7	-100.3	-178.1	4.8	0	0	110.5	P330	Q328-P330 WeakPolarHBondContact O-CD 3.32Å; Q328-P330 WeakPolarHBondContact O-CG 3.5Å
329	S	52	Low	56.1	Low	76 Å²	76	60.5 Å²	60.5	53%	0.531	34%	0.337	S	S	.	.			trans	-66.7	97.7	-175.2	179.6	0	0	0	0	111.5	M331	S329-M331 PolarHBondContact O-N 3.13Å
330	P	56.9	Low	56.1	Low	14 Å²	14	58.9 Å²	58.9	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-76.6	-12.4	-171.4	-12.5	32	0	0	0	112.8	L304 I321 Q328 T334	L304-P330 HydrophobicContact CD1-CB 4.05Å; L304-P330 HydrophobicContact CD2-CB 4.43Å; I321-P330 HydrophobicContact CB-CB 3.73Å; I321-P330 HydrophobicContact CB-CG 3.9Å; I321-P330 HydrophobicContact CD1-CB 3.78Å; I321-P330 HydrophobicContact CG1-CB 4.29Å; I321-P330 HydrophobicContact CG2-CB 3.04Å; I321-P330 HydrophobicContact CG2-CG 3.45Å; I321-P330 VanDerWaalsContact CG2-CG 3.45Å; Q328-P330 WeakPolarHBondContact O-CD 3.32Å; Q328-P330 WeakPolarHBondContact O-CG 3.5Å; P330-T334 PolarHBondContact O-N 3.39Å; P330-T334 VanDerWaalsContact O-N 3.16Å; P330-T334 PolarHBondContact O-OG1 2.89Å
331	M	60.1	Low	56.3	Low	48 Å²	48	59.7 Å²	59.7	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-68.2	-39.4	-178.5	-159.6	56.5	56.7	0	0	111.4	I316 V318 I321 S329 T334 I335	I316-M331 WeakPolarHBondContact O-CE 3.29Å; V318-M331 HydrophobicContact CB-CE 4.21Å; V318-M331 HydrophobicContact CG2-CE 3.41Å; V318-M331 VanDerWaalsContact CG2-CE 3.41Å; I321-M331 HydrophobicContact CD1-CE 3.79Å; S329-M331 PolarHBondContact O-N 3.13Å; M331-T334 PolarHBondContact O-N 3.2Å; M331-I335 HydrophobicContact CG-CD1 4.3Å; M331-I335 WeakPolarHBondContact O-CG1 2.97Å; M331-I335 PolarHBondContact O-N 3.44Å
332	N	54.3	Low	56.6	Low	96 Å²	96	59.7 Å²	59.7	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-65.9	-47.3	-179.4	-68.3	4.1	0	0	0	110.4	T334 I335 D336	N332-T334 VanDerWaalsContact C-N 3.27Å; N332-T334 PolarHBondContact O-N 3.47Å; N332-I335 WeakPolarHBondContact O-CB 3.26Å; N332-I335 PolarHBondContact O-N 2.87Å; N332-D336 PolarHBondContact O-N 3.44Å; N332-D336 VanDerWaalsContact O-OD2 3.14Å
333	Y	59.2	Low	56.7	Low	30 Å²	30	59.8 Å²	59.8	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-58	-40.5	175.5	178.4	-95.4	0	0	0	112.5	M164 W165 L305 V308 H309 D336 Y337	M164-Y333 HydrophobicContact CE-CD2 4.46Å; M164-Y333 HydrophobicContact CE-CE2 4.45Å; W165-Y333 HydrophobicContact CB-CD2 4.31Å; W165-Y333 HydrophobicContact CB-CE2 3.65Å; W165-Y333 WeakPolarHBondContact O-CE2 3.41Å; W165-Y333 PolarHBondContact O-OH 3.2Å; L305-Y333 HydrophobicContact CD2-CD1 3.71Å; L305-Y333 HydrophobicContact CD2-CD2 4.35Å; L305-Y333 HydrophobicContact CD2-CE1 3.19Å; L305-Y333 HydrophobicContact CD2-CE2 3.91Å; L305-Y333 HydrophobicContact CD2-CG 4.26Å; V308-Y333 HydrophobicContact CB-CD1 4.34Å; V308-Y333 HydrophobicContact CB-CE1 4.16Å; V308-Y333 HydrophobicContact CG1-CD1 3.95Å; V308-Y333 HydrophobicContact CG1-CE1 3.8Å; V308-Y333 HydrophobicContact CG2-CD1 4.31Å; H309-Y333 AromaticContact NE2-CZ 3.86Å; H309-Y333 PolarHBondContact NE2-OH 3.15Å; Y333-D336 PolarHBondContact O-N 2.96Å; Y333-Y337 VanDerWaalsContact O-CB 3.25Å; Y333-Y337 WeakPolarHBondContact O-CB 3.36Å; Y333-Y337 PolarHBondContact O-N 3.26Å
334	T	64	Low	56.9	Low	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-45.6	175.7	-56.3	0	0	0	0	110.7	V308 I316 P330 M331 N332 R338	V308-T334 HydrophobicContact CG1-CG2 4.2Å; I316-T334 HydrophobicContact CD1-CG2 3.87Å; I316-T334 HydrophobicContact CG1-CG2 4.32Å; P330-T334 PolarHBondContact O-N 3.39Å; P330-T334 VanDerWaalsContact O-N 3.16Å; P330-T334 PolarHBondContact O-OG1 2.89Å; M331-T334 PolarHBondContact O-N 3.2Å; N332-T334 VanDerWaalsContact C-N 3.27Å; N332-T334 PolarHBondContact O-N 3.47Å; T334-R338 WeakPolarHBondContact O-CB 3.2Å; T334-R338 WeakPolarHBondContact O-CG 3.08Å; T334-R338 PolarHBondContact O-N 3.4Å
335	I	63.1	Low	57.5	Low	56 Å²	56	56.5 Å²	56.5	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-62.5	-46.8	177.6	-68.5	164.7	0	0	0	111	M331 N332 Y337 R338 L339	M331-I335 HydrophobicContact CG-CD1 4.3Å; M331-I335 WeakPolarHBondContact O-CG1 2.97Å; M331-I335 PolarHBondContact O-N 3.44Å; N332-I335 WeakPolarHBondContact O-CB 3.26Å; N332-I335 PolarHBondContact O-N 2.87Å; I335-Y337 PolarHBondContact O-N 2.86Å; I335-R338 WeakPolarHBondContact O-CB 3.18Å; I335-R338 PolarHBondContact O-N 2.92Å; I335-L339 HydrophobicContact CG2-CD1 4.07Å; I335-L339 HydrophobicContact CG2-CG 4.49Å; I335-L339 WeakPolarHBondContact O-CG 3.1Å; I335-L339 PolarHBondContact O-N 3.4Å
336	D	57.7	Low	58.2	Low	67 Å²	67	56.2 Å²	56.2	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-42	-178	-59.3	-30.8	0	0	0	110.6	M164 N332 Y333 R338 L339 L340	M164-D336 HydrophobicContact CE-CB 3.21Å; M164-D336 HydrophobicContact SD-CB 3.52Å; M164-D336 VanDerWaalsContact SD-CB 3.52Å; M164-D336 VanDerWaalsContact SD-O 3.38Å; N332-D336 PolarHBondContact O-N 3.44Å; N332-D336 VanDerWaalsContact O-OD2 3.14Å; Y333-D336 PolarHBondContact O-N 2.96Å; D336-R338 VanDerWaalsContact C-N 3.31Å; D336-R338 PolarHBondContact O-N 2.88Å; D336-L339 PolarHBondContact O-N 3.06Å; D336-L339 VanDerWaalsContact O-N 3.14Å; D336-L340 PolarHBondContact O-N 2.96Å
337	Y	62.3	Low	58.5	Low	28 Å²	28	56.3 Å²	56.3	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-39.9	176.4	-175.6	-98.2	0	0	0	112.1	M164 H309 F312 Y333 I335 L340 K341	M164-Y337 PolarHBondContact SD-N 3.01Å; M164-Y337 VanDerWaalsContact SD-N 3.44Å; H309-Y337 AromaticContact CD2-CD2 3.74Å; H309-Y337 AromaticContact CD2-CE1 3.78Å; H309-Y337 AromaticContact CD2-CE2 3.32Å; H309-Y337 WeakPolarHBondContact CD2-CE2 3.45Å; H309-Y337 AromaticContact CD2-CZ 3.34Å; H309-Y337 AromaticContact CG-CZ 3.99Å; H309-Y337 AromaticContact NE2-CD2 3.67Å; H309-Y337 AromaticContact NE2-CE2 3.35Å; H309-Y337 VanDerWaalsContact NE2-CE2 3.35Å; H309-Y337 WeakPolarHBondContact NE2-CE2 3.41Å; H309-Y337 AromaticContact NE2-CZ 3.87Å; F312-Y337 HydrophobicContact CB-CD1 4Å; F312-Y337 HydrophobicContact CB-CE1 4.29Å; F312-Y337 HydrophobicContact CD1-CD1 4.19Å; F312-Y337 AromaticContact CD1-CE1 3.63Å; F312-Y337 HydrophobicContact CD1-CE1 3.63Å; F312-Y337 HydrophobicContact CD2-CD1 4.27Å; F312-Y337 HydrophobicContact CD2-CE1 4.28Å; F312-Y337 AromaticContact CE1-CE1 3.94Å; F312-Y337 HydrophobicContact CE1-CE1 3.94Å; F312-Y337 AromaticContact CG-CD1 3.89Å; F312-Y337 HydrophobicContact CG-CD1 3.89Å; F312-Y337 AromaticContact CG-CE1 3.8Å; F312-Y337 HydrophobicContact CG-CE1 3.8Å; F312-Y337 HydrophobicContact CZ-CE1 4.38Å; Y333-Y337 VanDerWaalsContact O-CB 3.25Å; Y333-Y337 WeakPolarHBondContact O-CB 3.36Å; Y333-Y337 PolarHBondContact O-N 3.26Å; I335-Y337 PolarHBondContact O-N 2.86Å; Y337-L340 PolarHBondContact O-N 3.35Å; Y337-K341 HydrophobicContact CD1-CG 4.33Å; Y337-K341 HydrophobicContact CE1-CG 3.9Å; Y337-K341 WeakPolarHBondContact O-CG 3.44Å; Y337-K341 PolarHBondContact O-N 2.85Å; Y337-K341 VanDerWaalsContact OH-CE 3.28Å; Y337-K341 WeakPolarHBondContact OH-CE 3.37Å
338	R	69.5	Low	59.2	Low	23 Å²	23	56.3 Å²	56.3	9%	0.087	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-48.1	172.6	-74.6	176.3	179	-167.2	1.2	111.1	F312 Q314 T334 I335 D336 L340 K341 A342 S360 E361	F312-R338 HydrophobicContact CB-CG 4.25Å; F312-R338 HydrophobicContact CD2-CG 4.02Å; F312-R338 PolarHBondContact O-NE 3.09Å; F312-R338 PolarHBondContact O-NH2 3.45Å; Q314-R338 PolarHBondContact O-NH2 3.31Å; T334-R338 WeakPolarHBondContact O-CB 3.2Å; T334-R338 WeakPolarHBondContact O-CG 3.08Å; T334-R338 PolarHBondContact O-N 3.4Å; I335-R338 WeakPolarHBondContact O-CB 3.18Å; I335-R338 PolarHBondContact O-N 2.92Å; D336-R338 VanDerWaalsContact C-N 3.31Å; D336-R338 PolarHBondContact O-N 2.88Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.18Å; R338-K341 PolarHBondContact O-N 2.88Å; R338-A342 WeakPolarHBondContact O-CB 3.42Å; R338-A342 PolarHBondContact O-N 2.98Å; R338-S360 WeakPolarHBondContact CB-O 3.35Å; R338-S360 WeakPolarHBondContact CD-O 3.23Å; R338-S360 WeakPolarHBondContact CG-O 3.2Å; R338-S360 WeakPolarHBondContact O-CB 3.16Å; R338-E361 IonicContact CZ-OE2 3.87Å; R338-E361 VanDerWaalsContact NH1-CB 3.33Å; R338-E361 PolarHBondContact NH1-O 3.4Å; R338-E361 IonicContact NH1-OE2 3.94Å; R338-E361 PolarHBondContact NH1-OE2 3.16Å; R338-E361 IonicContact NH2-OE2 2.74Å; R338-E361 PolarHBondContact NH2-OE2 3.12Å
339	L	62.8	Low	60	Low	38 Å²	38	51.2 Å²	51.2	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-37.8	178.1	-68.2	174.8	0	0	0	112.7	I335 D336 A342 K343 A362 V367	I335-L339 HydrophobicContact CG2-CD1 4.07Å; I335-L339 HydrophobicContact CG2-CG 4.49Å; I335-L339 WeakPolarHBondContact O-CG 3.1Å; I335-L339 PolarHBondContact O-N 3.4Å; D336-L339 PolarHBondContact O-N 3.06Å; D336-L339 VanDerWaalsContact O-N 3.14Å; L339-A342 WeakPolarHBondContact O-CB 3.4Å; L339-A342 PolarHBondContact O-N 3.28Å; L339-K343 WeakPolarHBondContact O-CB 3.34Å; L339-K343 PolarHBondContact O-N 3.02Å; L339-A362 HydrophobicContact CD2-CB 3.88Å; L339-V367 HydrophobicContact CD1-CG1 4.05Å; L339-V367 HydrophobicContact CD2-CB 4.49Å; L339-V367 HydrophobicContact CD2-CG1 3.44Å; L339-V367 VanDerWaalsContact CD2-CG1 3.44Å; L339-V367 HydrophobicContact CG-CG1 4.4Å
340	L	59.9	Low	60.4	Low	36 Å²	36	53.6 Å²	53.6	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-50.1	172.6	-176.9	78.2	0	0	0	110.9	M164 D336 Y337 R338 A342 K343 E344	M164-L340 HydrophobicContact CB-CD2 3.98Å; M164-L340 HydrophobicContact CG-CB 4.16Å; M164-L340 HydrophobicContact CG-CD1 4.28Å; M164-L340 HydrophobicContact CG-CD2 3.86Å; M164-L340 HydrophobicContact CG-CG 4.32Å; M164-L340 HydrophobicContact SD-CB 4.19Å; D336-L340 PolarHBondContact O-N 2.96Å; Y337-L340 PolarHBondContact O-N 3.35Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L340 PolarHBondContact O-N 3.18Å; L340-A342 PolarHBondContact O-N 3.42Å; L340-K343 WeakPolarHBondContact O-CB 3.39Å; L340-K343 PolarHBondContact O-N 3.11Å; L340-E344 WeakPolarHBondContact O-CG 3.49Å; L340-E344 PolarHBondContact O-N 3.02Å
341	K	66.4	Low	60.5	Low	45 Å²	45	55.9 Å²	55.9	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-32.6	177.9	-72.1	-72.2	161.6	-154.2	0	112.3	F312 Y337 R338 E344 R345	F312-K341 HydrophobicContact CE2-CB 4.19Å; F312-K341 HydrophobicContact CE2-CG 4.16Å; F312-K341 HydrophobicContact CZ-CG 4.19Å; Y337-K341 HydrophobicContact CD1-CG 4.33Å; Y337-K341 HydrophobicContact CE1-CG 3.9Å; Y337-K341 WeakPolarHBondContact O-CG 3.44Å; Y337-K341 PolarHBondContact O-N 2.85Å; Y337-K341 VanDerWaalsContact OH-CE 3.28Å; Y337-K341 WeakPolarHBondContact OH-CE 3.37Å; R338-K341 PolarHBondContact O-N 2.88Å; K341-E344 WeakPolarHBondContact CD-OE2 3.5Å; K341-E344 WeakPolarHBondContact CE-OE2 3.41Å; K341-E344 IonicContact NZ-OE1 2.84Å; K341-E344 IonicContact NZ-OE2 3.58Å; K341-E344 PolarHBondContact NZ-OE2 3.18Å; K341-R345 WeakPolarHBondContact O-CG 3.43Å; K341-R345 PolarHBondContact O-N 3.27Å; K341-R345 VanDerWaalsContact O-N 3.13Å
342	A	64.6	Low	60.6	Low	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-49.6	170.9	0	0	0	0	0	111.1	R338 L339 L340 E344 R345 L346 I356 S360	R338-A342 WeakPolarHBondContact O-CB 3.42Å; R338-A342 PolarHBondContact O-N 2.98Å; L339-A342 WeakPolarHBondContact O-CB 3.4Å; L339-A342 PolarHBondContact O-N 3.28Å; L340-A342 PolarHBondContact O-N 3.42Å; A342-E344 PolarHBondContact O-N 3.42Å; A342-R345 PolarHBondContact O-N 3.01Å; A342-L346 WeakPolarHBondContact O-CG 3.39Å; A342-L346 PolarHBondContact O-N 3.46Å; A342-I356 VanDerWaalsContact CA-CG2 3.45Å; A342-I356 HydrophobicContact CB-CG2 3.79Å; A342-I356 WeakPolarHBondContact O-CG2 3.39Å; A342-S360 VanDerWaalsContact CB-OG 3.3Å; A342-S360 WeakPolarHBondContact CB-OG 3.41Å
343	K	57.4	Low	60.9	Low	49 Å²	49	51.7 Å²	51.7	21%	0.213	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-44.5	179	-175.1	-174.6	177.9	-175.8	0	112.3	D161 L339 L340 L346 L347	D161-K343 IonicContact OD1-NZ 2.78Å; D161-K343 PolarHBondContact OD1-NZ 3.32Å; L339-K343 WeakPolarHBondContact O-CB 3.34Å; L339-K343 PolarHBondContact O-N 3.02Å; L340-K343 WeakPolarHBondContact O-CB 3.39Å; L340-K343 PolarHBondContact O-N 3.11Å; K343-L346 WeakPolarHBondContact O-CB 3.44Å; K343-L346 PolarHBondContact O-N 2.94Å; K343-L347 HydrophobicContact CG-CD1 4.24Å; K343-L347 WeakPolarHBondContact O-CG 3.45Å; K343-L347 PolarHBondContact O-N 2.97Å; K343-L347 VanDerWaalsContact O-N 3.15Å
344	E	58.2	Low	60.6	Low	55 Å²	55	51.5 Å²	51.5	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-49.5	175.8	-72.9	175.6	171.1	0	0	110.6	L340 K341 A342 L346 L347 E348	L340-E344 WeakPolarHBondContact O-CG 3.49Å; L340-E344 PolarHBondContact O-N 3.02Å; K341-E344 WeakPolarHBondContact CD-OE2 3.5Å; K341-E344 WeakPolarHBondContact CE-OE2 3.41Å; K341-E344 IonicContact NZ-OE1 2.84Å; K341-E344 IonicContact NZ-OE2 3.58Å; K341-E344 PolarHBondContact NZ-OE2 3.18Å; A342-E344 PolarHBondContact O-N 3.42Å; E344-L346 VanDerWaalsContact C-N 3.32Å; E344-L346 PolarHBondContact O-N 3.48Å; E344-L347 PolarHBondContact O-N 2.91Å; E344-L347 VanDerWaalsContact O-N 3.07Å; E344-E348 WeakPolarHBondContact O-CB 3.49Å; E344-E348 WeakPolarHBondContact O-CG 3.38Å; E344-E348 PolarHBondContact O-N 3.19Å
345	R	65.2	Low	60.3	Low	80 Å²	80	52.3 Å²	52.3	30%	0.302	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-37.6	176.5	-75.6	177.9	155.3	-121.7	-7.5	113.1	K341 A342 L347 E348 T349 E351 I356 A359	K341-R345 WeakPolarHBondContact O-CG 3.43Å; K341-R345 PolarHBondContact O-N 3.27Å; K341-R345 VanDerWaalsContact O-N 3.13Å; A342-R345 PolarHBondContact O-N 3.01Å; R345-L347 PolarHBondContact O-N 3.22Å; R345-E348 PolarHBondContact O-N 3.45Å; R345-T349 WeakPolarHBondContact O-CA 3.47Å; R345-T349 WeakPolarHBondContact O-CB 3.26Å; R345-T349 PolarHBondContact O-N 2.79Å; R345-T349 PolarHBondContact O-OG1 3.17Å; R345-E351 WeakPolarHBondContact CD-OE2 3.46Å; R345-E351 IonicContact CZ-OE1 2.67Å; R345-E351 IonicContact CZ-OE2 3.99Å; R345-E351 IonicContact NE-OE2 3.76Å; R345-E351 IonicContact NH1-OE1 3.56Å; R345-E351 PolarHBondContact NH1-OE1 3.32Å; R345-E351 IonicContact NH1-OE2 3.75Å; R345-E351 PolarHBondContact NH1-OE2 3.49Å; R345-E351 IonicContact NH2-OE1 3.79Å; R345-I356 HydrophobicContact CB-CB 4.48Å; R345-I356 HydrophobicContact CB-CD1 4.16Å; R345-I356 HydrophobicContact CB-CG1 3.92Å; R345-I356 HydrophobicContact CB-CG2 3.87Å; R345-A359 VanDerWaalsContact CZ-CB 3.48Å
346	L	63.1	Low	60.2	Low	28 Å²	28	49.7 Å²	49.7	15%	0.147	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-30	175.8	-79.7	165.5	0	0	0	112.7	A342 K343 E344 I353 I356 C371 L372	A342-L346 WeakPolarHBondContact O-CG 3.39Å; A342-L346 PolarHBondContact O-N 3.46Å; K343-L346 WeakPolarHBondContact O-CB 3.44Å; K343-L346 PolarHBondContact O-N 2.94Å; E344-L346 VanDerWaalsContact C-N 3.32Å; E344-L346 PolarHBondContact O-N 3.48Å; L346-I353 HydrophobicContact CD2-CG1 4.09Å; L346-I356 HydrophobicContact CB-CD1 4.21Å; L346-I356 HydrophobicContact CD2-CD1 3.44Å; L346-I356 VanDerWaalsContact CD2-CD1 3.44Å; L346-I356 HydrophobicContact CG-CD1 3.65Å; L346-I356 HydrophobicContact CG-CG2 4.15Å; L346-C371 HydrophobicContact CD1-CB 4.48Å; L346-L372 HydrophobicContact CD1-CG 4.43Å; L346-L372 HydrophobicContact CD2-CD1 4.15Å; L346-L372 HydrophobicContact CD2-CG 4.37Å
347	L	49	Very low	60.2	Low	114 Å²	114	46.9 Å²	46.9	60%	0.597	23%	0.228	S	C	*	.	H	α-helix	trans	-91.3	-35.1	-178.8	-68.9	169.9	0	0	0	112.8	K343 E344 R345 T375	K343-L347 HydrophobicContact CG-CD1 4.24Å; K343-L347 WeakPolarHBondContact O-CG 3.45Å; K343-L347 PolarHBondContact O-N 2.97Å; K343-L347 VanDerWaalsContact O-N 3.15Å; E344-L347 PolarHBondContact O-N 2.91Å; E344-L347 VanDerWaalsContact O-N 3.07Å; R345-L347 PolarHBondContact O-N 3.22Å; L347-T375 HydrophobicContact CD2-CG2 4.09Å
348	E	54.4	Low	60.2	Low	139 Å²	139	46.6 Å²	46.6	65%	0.65	23%	0.227	S	C	*	.	H	α-helix	trans	-100.2	-13.4	-170.1	-64.1	180	171.5	0	0	113.3	E344 R345	E344-E348 WeakPolarHBondContact O-CB 3.49Å; E344-E348 WeakPolarHBondContact O-CG 3.38Å; E344-E348 PolarHBondContact O-N 3.19Å; R345-E348 PolarHBondContact O-N 3.45Å
349	T	59.8	Low	59.7	Low	53 Å²	53	46.1 Å²	46.1	33%	0.325	23%	0.228	S	C	.	.			trans	-130.2	159.5	-178	78.9	0	0	0	0	111.2	R345 E351	R345-T349 WeakPolarHBondContact O-CA 3.47Å; R345-T349 WeakPolarHBondContact O-CB 3.26Å; R345-T349 PolarHBondContact O-N 2.79Å; R345-T349 PolarHBondContact O-OG1 3.17Å; T349-E351 VanDerWaalsContact C-N 3.27Å; T349-E351 WeakPolarHBondContact OG1-CB 3.37Å; T349-E351 WeakPolarHBondContact OG1-CG 3.26Å; T349-E351 PolarHBondContact OG1-N 3.38Å; T349-E351 PolarHBondContact OG1-OE2 2.97Å
350	E	61	Low	59.6	Low	125 Å²	125	44.4 Å²	44.4	58%	0.584	22%	0.219	S	C	*	.			trans	-91.5	13.4	169.9	-62	-160.3	163.6	0	0	112.5	N67	N67-E350 HydrophobicContact CB-CB 3.97Å; N67-E350 WeakPolarHBondContact CB-OE2 3.29Å; N67-E350 WeakPolarHBondContact ND2-CB 3.47Å; N67-E350 PolarHBondContact ND2-OE2 3.27Å; N67-E350 PolarHBondContact OD1-O 3.11Å
351	E	59	Low	59.7	Low	63 Å²	63	43.5 Å²	43.5	29%	0.294	21%	0.214	S	C	.	.			trans	-56.7	144.6	177.7	-66.7	178.8	139.1	0	0	111	R345 T349 E355 I356	R345-E351 WeakPolarHBondContact CD-OE2 3.46Å; R345-E351 IonicContact CZ-OE1 2.67Å; R345-E351 IonicContact CZ-OE2 3.99Å; R345-E351 IonicContact NE-OE2 3.76Å; R345-E351 IonicContact NH1-OE1 3.56Å; R345-E351 PolarHBondContact NH1-OE1 3.32Å; R345-E351 IonicContact NH1-OE2 3.75Å; R345-E351 PolarHBondContact NH1-OE2 3.49Å; R345-E351 IonicContact NH2-OE1 3.79Å; T349-E351 VanDerWaalsContact C-N 3.27Å; T349-E351 WeakPolarHBondContact OG1-CB 3.37Å; T349-E351 WeakPolarHBondContact OG1-CG 3.26Å; T349-E351 PolarHBondContact OG1-N 3.38Å; T349-E351 PolarHBondContact OG1-OE2 2.97Å; E351-E355 HydrophobicContact CB-CB 4.2Å; E351-I356 HydrophobicContact CB-CD1 3.92Å; E351-I356 HydrophobicContact CB-CG1 3.57Å; E351-I356 VanDerWaalsContact O-CD1 3.26Å; E351-I356 WeakPolarHBondContact O-CD1 3.49Å
352	T	62.8	Low	59.1	Low	16 Å²	16	42.1 Å²	42.1	10%	0.098	21%	0.21	C	C	.	.			trans	-65.6	152.4	176.9	61.7	0	0	0	0	110.9	V66 S354 E355 I356	V66-T352 HydrophobicContact CG1-CG2 3.86Å; V66-T352 WeakPolarHBondContact O-CG2 2.96Å; T352-S354 PolarHBondContact O-N 3.41Å; T352-S354 VanDerWaalsContact O-N 3.12Å; T352-E355 WeakPolarHBondContact CB-OE2 3.29Å; T352-E355 WeakPolarHBondContact CG2-OE2 3.4Å; T352-E355 PolarHBondContact N-OE2 3.42Å; T352-E355 WeakPolarHBondContact O-CB 3.48Å; T352-E355 PolarHBondContact O-N 3.41Å; T352-E355 WeakPolarHBondContact OG1-CB 2.93Å; T352-E355 WeakPolarHBondContact OG1-CG 3.37Å; T352-E355 PolarHBondContact OG1-N 3.13Å; T352-E355 PolarHBondContact OG1-OE2 2.86Å; T352-I356 WeakPolarHBondContact O-CG1 3.44Å; T352-I356 PolarHBondContact O-N 3.36Å
353	I	58.9	Low	58.4	Low	40 Å²	40	47.4 Å²	47.4	21%	0.205	24%	0.243	C	C	.	.	H	α-helix	trans	-53	-38.5	175.8	-61.1	175.3	0	0	0	110.6	L346 I356 C357 E365 C368 L372	L346-I353 HydrophobicContact CD2-CG1 4.09Å; I353-I356 PolarHBondContact O-N 3.19Å; I353-C357 WeakPolarHBondContact O-CB 3.45Å; I353-C357 PolarHBondContact O-N 3.42Å; I353-C357 PolarHBondContact O-SG 2.92Å; I353-E365 HydrophobicContact CG2-CB 4.44Å; I353-E365 HydrophobicContact CG2-CG 4.42Å; I353-C368 HydrophobicContact CG2-CB 3.77Å; I353-L372 HydrophobicContact CD1-CD1 3.53Å; I353-L372 HydrophobicContact CG1-CD1 4.04Å
354	S	53.7	Low	57.9	Low	26 Å²	26	47.1 Å²	47.1	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-46.2	175.7	-46.8	0	0	0	0	112.5	T352 I356 F358 E365	T352-S354 PolarHBondContact O-N 3.41Å; T352-S354 VanDerWaalsContact O-N 3.12Å; S354-I356 VanDerWaalsContact C-N 3.31Å; S354-I356 PolarHBondContact O-N 2.89Å; S354-F358 WeakPolarHBondContact O-CB 3.44Å; S354-F358 PolarHBondContact O-N 3.06Å; S354-E365 WeakPolarHBondContact CB-OE1 3.36Å; S354-E365 PolarHBondContact OG-OE1 3.36Å
355	E	57.6	Low	57.2	Low	18 Å²	18	49.2 Å²	49.2	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-38.2	176.5	-75.1	162.1	152	0	0	111.7	V66 F90 E351 T352 F358 A359	V66-E355 WeakPolarHBondContact CG1-OE1 3.43Å; V66-E355 WeakPolarHBondContact CG1-OE2 3.42Å; F90-E355 HydrophobicContact CB-CG 4.39Å; F90-E355 HydrophobicContact CD1-CG 4.26Å; F90-E355 HydrophobicContact CD2-CG 4.24Å; F90-E355 VanDerWaalsContact CE1-OE1 3.29Å; F90-E355 WeakPolarHBondContact CE1-OE1 3.49Å; F90-E355 HydrophobicContact CG-CG 4.04Å; E351-E355 HydrophobicContact CB-CB 4.2Å; T352-E355 WeakPolarHBondContact CB-OE2 3.29Å; T352-E355 WeakPolarHBondContact CG2-OE2 3.4Å; T352-E355 PolarHBondContact N-OE2 3.42Å; T352-E355 WeakPolarHBondContact O-CB 3.48Å; T352-E355 PolarHBondContact O-N 3.41Å; T352-E355 WeakPolarHBondContact OG1-CB 2.93Å; T352-E355 WeakPolarHBondContact OG1-CG 3.37Å; T352-E355 PolarHBondContact OG1-N 3.13Å; T352-E355 PolarHBondContact OG1-OE2 2.86Å; E355-F358 WeakPolarHBondContact O-CB 3.48Å; E355-F358 PolarHBondContact O-N 2.89Å; E355-A359 WeakPolarHBondContact O-CB 3.42Å; E355-A359 PolarHBondContact O-N 3.44Å
356	I	60.6	Low	56	Low	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.4	-51.8	-179.4	-66.2	171.1	0	0	0	111.3	A342 R345 L346 E351 T352 I353 S354 F358 A359 S360	A342-I356 VanDerWaalsContact CA-CG2 3.45Å; A342-I356 HydrophobicContact CB-CG2 3.79Å; A342-I356 WeakPolarHBondContact O-CG2 3.39Å; R345-I356 HydrophobicContact CB-CB 4.48Å; R345-I356 HydrophobicContact CB-CD1 4.16Å; R345-I356 HydrophobicContact CB-CG1 3.92Å; R345-I356 HydrophobicContact CB-CG2 3.87Å; L346-I356 HydrophobicContact CB-CD1 4.21Å; L346-I356 HydrophobicContact CD2-CD1 3.44Å; L346-I356 VanDerWaalsContact CD2-CD1 3.44Å; L346-I356 HydrophobicContact CG-CD1 3.65Å; L346-I356 HydrophobicContact CG-CG2 4.15Å; E351-I356 HydrophobicContact CB-CD1 3.92Å; E351-I356 HydrophobicContact CB-CG1 3.57Å; E351-I356 VanDerWaalsContact O-CD1 3.26Å; E351-I356 WeakPolarHBondContact O-CD1 3.49Å; T352-I356 WeakPolarHBondContact O-CG1 3.44Å; T352-I356 PolarHBondContact O-N 3.36Å; I353-I356 PolarHBondContact O-N 3.19Å; S354-I356 VanDerWaalsContact C-N 3.31Å; S354-I356 PolarHBondContact O-N 2.89Å; I356-F358 PolarHBondContact O-N 3.45Å; I356-A359 PolarHBondContact O-N 3.11Å; I356-A359 VanDerWaalsContact O-N 3.12Å; I356-S360 WeakPolarHBondContact O-CB 3.32Å; I356-S360 PolarHBondContact O-N 2.88Å; I356-S360 PolarHBondContact O-OG 2.95Å
357	C	59.2	Low	55.2	Low	9 Å²	9	55 Å²	55	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-33.8	176.1	-62.1	0	0	0	0	110.9	I353 S360 E361 A362 C368	I353-C357 WeakPolarHBondContact O-CB 3.45Å; I353-C357 PolarHBondContact O-N 3.42Å; I353-C357 PolarHBondContact O-SG 2.92Å; C357-S360 WeakPolarHBondContact CA-OG 3.48Å; C357-S360 PolarHBondContact O-OG 3.38Å; C357-E361 CarbonylContact O-C 3.58Å; C357-E361 WeakPolarHBondContact O-CA 3.39Å; C357-E361 PolarHBondContact O-N 3.02Å; C357-A362 HydrophobicContact CB-CB 4.26Å; C357-A362 PolarHBondContact O-N 3.02Å; C357-C368 VanDerWaalsContact CA-SG 3.5Å; C357-C368 WeakPolarHBondContact CB-SG 3.33Å; C357-C368 WeakPolarHBondContact SG-CB 3.05Å; C357-C368 CovalentContact SG-SG 2.04Å; C357-C368 PolarHBondContact SG-SG 3.26Å
358	F	61.4	Low	54.9	Low	22 Å²	22	49.6 Å²	49.6	10%	0.096	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-52.5	174.6	176.9	-84.5	0	0	0	111.9	T83 K87 K88 P89 S354 E355 I356 S360 E361	T83-F358 HydrophobicContact CG2-CB 3.89Å; T83-F358 HydrophobicContact CG2-CD1 3.44Å; T83-F358 VanDerWaalsContact CG2-CD1 3.44Å; T83-F358 HydrophobicContact CG2-CD2 2.97Å; T83-F358 HydrophobicContact CG2-CE1 3.97Å; T83-F358 HydrophobicContact CG2-CE2 3.34Å; T83-F358 HydrophobicContact CG2-CG 3.02Å; T83-F358 HydrophobicContact CG2-CZ 3.93Å; T83-F358 WeakPolarHBondContact O-CE2 3.42Å; K87-F358 VanDerWaalsContact C-CE2 3.43Å; K88-F358 VanDerWaalsContact C-CE1 3.44Å; K88-F358 VanDerWaalsContact N-CZ 3.26Å; K88-F358 WeakPolarHBondContact O-CE1 3.48Å; K88-F358 VanDerWaalsContact O-CE2 3.31Å; K88-F358 WeakPolarHBondContact O-CE2 3.12Å; K88-F358 WeakPolarHBondContact O-CZ 3.24Å; P89-F358 HydrophobicContact CB-CE1 4.49Å; S354-F358 WeakPolarHBondContact O-CB 3.44Å; S354-F358 PolarHBondContact O-N 3.06Å; E355-F358 WeakPolarHBondContact O-CB 3.48Å; E355-F358 PolarHBondContact O-N 2.89Å; I356-F358 PolarHBondContact O-N 3.45Å; F358-S360 PolarHBondContact O-N 3.42Å; F358-E361 PolarHBondContact O-N 3.18Å; F358-E361 VanDerWaalsContact O-N 3.08Å
359	A	59.3	Low	54	Low	13 Å²	13	44 Å²	44	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-21	-176.8	0	0	0	0	0	113.4	Q313 R345 E355 I356	Q313-A359 PolarHBondContact NE2-O 3.24Å; Q313-A359 VanDerWaalsContact NE2-O 3.1Å; R345-A359 VanDerWaalsContact CZ-CB 3.48Å; E355-A359 WeakPolarHBondContact O-CB 3.42Å; E355-A359 PolarHBondContact O-N 3.44Å; I356-A359 PolarHBondContact O-N 3.11Å; I356-A359 VanDerWaalsContact O-N 3.12Å
360	S	60.2	Low	53.2	Low	1 Å²	1	42.6 Å²	42.6	1%	0.007	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.5	173.8	50.2	0	0	0	0	113.9	R338 A342 I356 C357 F358 A362	R338-S360 WeakPolarHBondContact CB-O 3.35Å; R338-S360 WeakPolarHBondContact CD-O 3.23Å; R338-S360 WeakPolarHBondContact CG-O 3.2Å; R338-S360 WeakPolarHBondContact O-CB 3.16Å; A342-S360 VanDerWaalsContact CB-OG 3.3Å; A342-S360 WeakPolarHBondContact CB-OG 3.41Å; I356-S360 WeakPolarHBondContact O-CB 3.32Å; I356-S360 PolarHBondContact O-N 2.88Å; I356-S360 PolarHBondContact O-OG 2.95Å; C357-S360 WeakPolarHBondContact CA-OG 3.48Å; C357-S360 PolarHBondContact O-OG 3.38Å; F358-S360 PolarHBondContact O-N 3.42Å; S360-A362 PolarHBondContact O-N 2.83Å; S360-A362 VanDerWaalsContact O-N 3.11Å
361	E	61.9	Low	52	Low	18 Å²	18	38.3 Å²	38.3	8%	0.084	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	34.4	-168.9	-73.3	-154.9	162.8	0	0	114.4	Q314 D315 R338 C357 F358	Q314-E361 VanDerWaalsContact C-OE2 3.29Å; D315-E361 PolarHBondContact N-OE1 3.29Å; R338-E361 IonicContact CZ-OE2 3.87Å; R338-E361 VanDerWaalsContact NH1-CB 3.33Å; R338-E361 PolarHBondContact NH1-O 3.4Å; R338-E361 IonicContact NH1-OE2 3.94Å; R338-E361 PolarHBondContact NH1-OE2 3.16Å; R338-E361 IonicContact NH2-OE2 2.74Å; R338-E361 PolarHBondContact NH2-OE2 3.12Å; C357-E361 CarbonylContact O-C 3.58Å; C357-E361 WeakPolarHBondContact O-CA 3.39Å; C357-E361 PolarHBondContact O-N 3.02Å; F358-E361 PolarHBondContact O-N 3.18Å; F358-E361 VanDerWaalsContact O-N 3.08Å
362	A	53.5	Low	51	Low	15 Å²	15	37.6 Å²	37.6	12%	0.124	22%	0.219	C	C	.	.			trans	-68	144.5	175.5	0	0	0	0	0	110.9	L339 C357 S360 S364	L339-A362 HydrophobicContact CD2-CB 3.88Å; C357-A362 HydrophobicContact CB-CB 4.26Å; C357-A362 PolarHBondContact O-N 3.02Å; S360-A362 PolarHBondContact O-N 2.83Å; S360-A362 VanDerWaalsContact O-N 3.11Å; A362-S364 VanDerWaalsContact C-N 3.27Å; A362-S364 PolarHBondContact O-N 3.27Å; A362-S364 VanDerWaalsContact O-N 3.14Å
363	V	49.6	Very low	49.6	Very low	112 Å²	112	44.9 Å²	44.9	68%	0.679	25%	0.252	S	S	*	.	S	Bend	trans	-65.1	-23	-162.7	-176.3	0	0	0	0	114
364	S	48.1	Very low	48.4	Very low	43 Å²	43	49.9 Å²	49.9	30%	0.301	27%	0.27	S	S	.	.			trans	-166.9	160.6	170.9	66.2	0	0	0	0	112.2	A362 E366 V367 C368	A362-S364 VanDerWaalsContact C-N 3.27Å; A362-S364 PolarHBondContact O-N 3.27Å; A362-S364 VanDerWaalsContact O-N 3.14Å; S364-E366 PolarHBondContact O-N 3.39Å; S364-E366 PolarHBondContact OG-N 2.95Å; S364-V367 PolarHBondContact O-N 3.47Å; S364-V367 VanDerWaalsContact O-N 3.13Å; S364-V367 WeakPolarHBondContact OG-CG2 3.4Å; S364-V367 PolarHBondContact OG-N 2.95Å; S364-C368 PolarHBondContact O-N 2.69Å
365	E	43.9	Very low	47.4	Very low	98 Å²	98	53.4 Å²	53.4	46%	0.458	29%	0.29	S	S	.	.	H	α-helix	trans	-55.9	-29.8	169.3	-75.3	179.8	172.1	0	0	112.7	I353 S354 C368 G369	I353-E365 HydrophobicContact CG2-CB 4.44Å; I353-E365 HydrophobicContact CG2-CG 4.42Å; S354-E365 WeakPolarHBondContact CB-OE1 3.36Å; S354-E365 PolarHBondContact OG-OE1 3.36Å; E365-C368 PolarHBondContact O-N 3.3Å; E365-G369 WeakPolarHBondContact O-CA 3.28Å; E365-G369 PolarHBondContact O-N 3.46Å
366	E	40.2	Very low	46.9	Very low	169 Å²	169	55.2 Å²	55.2	79%	0.79	30%	0.3	S	S	*	.	H	α-helix	trans	-66.3	-37.8	178.5	-149.8	172.3	-158.6	0	0	111.4	S364 G370	S364-E366 PolarHBondContact O-N 3.39Å; S364-E366 PolarHBondContact OG-N 2.95Å; E366-G370 PolarHBondContact O-N 3.46Å
367	V	44.7	Very low	46.1	Very low	60 Å²	60	58.1 Å²	58.1	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-73	-41.2	177.2	-179	0	0	0	0	111.2	L339 S364	L339-V367 HydrophobicContact CD1-CG1 4.05Å; L339-V367 HydrophobicContact CD2-CB 4.49Å; L339-V367 HydrophobicContact CD2-CG1 3.44Å; L339-V367 VanDerWaalsContact CD2-CG1 3.44Å; L339-V367 HydrophobicContact CG-CG1 4.4Å; S364-V367 PolarHBondContact O-N 3.47Å; S364-V367 VanDerWaalsContact O-N 3.13Å; S364-V367 WeakPolarHBondContact OG-CG2 3.4Å; S364-V367 PolarHBondContact OG-N 2.95Å
368	C	42.5	Very low	45.4	Very low	1 Å²	1	60.8 Å²	60.8	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-37.1	173.1	-57.9	0	0	0	0	112.3	I353 C357 S364 E365 G370 C371	I353-C368 HydrophobicContact CG2-CB 3.77Å; C357-C368 VanDerWaalsContact CA-SG 3.5Å; C357-C368 WeakPolarHBondContact CB-SG 3.33Å; C357-C368 WeakPolarHBondContact SG-CB 3.05Å; C357-C368 CovalentContact SG-SG 2.04Å; C357-C368 PolarHBondContact SG-SG 3.26Å; S364-C368 PolarHBondContact O-N 2.69Å; E365-C368 PolarHBondContact O-N 3.3Å; C368-G370 VanDerWaalsContact C-N 3.34Å; C368-C371 WeakPolarHBondContact O-CB 3.29Å; C368-C371 PolarHBondContact O-N 2.88Å; C368-C371 VanDerWaalsContact O-N 3.15Å
369	G	37.1	Very low	44.5	Very low	22 Å²	22	63.1 Å²	63.1	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-36.6	177.7	0	0	0	0	0	112.2	E365 C371 L372	E365-G369 WeakPolarHBondContact O-CA 3.28Å; E365-G369 PolarHBondContact O-N 3.46Å; G369-C371 PolarHBondContact O-N 2.85Å; G369-L372 WeakPolarHBondContact O-CB 3.5Å; G369-L372 PolarHBondContact O-N 3.05Å
370	G	41.6	Very low	43.6	Very low	24 Å²	24	66.2 Å²	66.2	25%	0.247	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-35	169.9	0	0	0	0	0	112.8	E366 C368 L372 E373 Y374	E366-G370 PolarHBondContact O-N 3.46Å; C368-G370 VanDerWaalsContact C-N 3.34Å; G370-L372 PolarHBondContact O-N 2.99Å; G370-E373 PolarHBondContact O-N 3.38Å; G370-E373 VanDerWaalsContact O-N 3.16Å; G370-Y374 WeakPolarHBondContact O-CD2 3.37Å
371	C	37.5	Very low	42.4	Very low	34 Å²	34	70.5 Å²	70.5	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-24	176.1	-63.2	0	0	0	0	113.9	L346 C368 G369	L346-C371 HydrophobicContact CD1-CB 4.48Å; C368-C371 WeakPolarHBondContact O-CB 3.29Å; C368-C371 PolarHBondContact O-N 2.88Å; C368-C371 VanDerWaalsContact O-N 3.15Å; G369-C371 PolarHBondContact O-N 2.85Å
372	L	37.3	Very low	41.1	Very low	48 Å²	48	74.3 Å²	74.3	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-79	-25.3	174	-79	162.7	0	0	0	112.9	L346 I353 G369 G370 Y374 T375	L346-L372 HydrophobicContact CD1-CG 4.43Å; L346-L372 HydrophobicContact CD2-CD1 4.15Å; L346-L372 HydrophobicContact CD2-CG 4.37Å; I353-L372 HydrophobicContact CD1-CD1 3.53Å; I353-L372 HydrophobicContact CG1-CD1 4.04Å; G369-L372 WeakPolarHBondContact O-CB 3.5Å; G369-L372 PolarHBondContact O-N 3.05Å; G370-L372 PolarHBondContact O-N 2.99Å; L372-Y374 PolarHBondContact O-N 3.44Å; L372-T375 PolarHBondContact O-N 2.94Å; L372-T375 PolarHBondContact O-OG1 3.04Å
373	E	33.9	Very low	40.1	Very low	169 Å²	169	78.8 Å²	78.8	79%	0.79	43%	0.425	S	S	*	.	H	α-helix	trans	-73.9	-11.9	175.7	-69.2	-170.8	159.7	0	0	112.6	G370	G370-E373 PolarHBondContact O-N 3.38Å; G370-E373 VanDerWaalsContact O-N 3.16Å
374	Y	32.9	Very low	39.3	Very low	146 Å²	146	76.1 Å²	76.1	57%	0.573	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	7.5	174.9	-64.9	-77.4	0	0	0	113.6	R159 G370 L372	R159-Y374 WeakPolarHBondContact CD-O 3.35Å; R159-Y374 WeakPolarHBondContact CG-O 3.22Å; R159-Y374 PolarHBondContact NE-O 3.35Å; R159-Y374 PolarHBondContact NH1-O 2.93Å; R159-Y374 PolarHBondContact NH2-O 2.96Å; G370-Y374 WeakPolarHBondContact O-CD2 3.37Å; L372-Y374 PolarHBondContact O-N 3.44Å
375	T	32.1	Very low	38.5	Very low	99 Å²	99	79.1 Å²	79.1	61%	0.607	41%	0.413	S	S	*	.			trans	-100.3	0	167.2	47.1	0	0	0	0	110.6	L347 L372	L347-T375 HydrophobicContact CD2-CG2 4.09Å; L372-T375 PolarHBondContact O-N 2.94Å; L372-T375 PolarHBondContact O-OG1 3.04Å

Retrieved 375 of 375 residues in 614 ms (Link to these results)

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