A0A077ZIM5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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	60.7	Low	73.3	Confident	75 Å²	75	67.8 Å²	67.8	37%	0.369	32%	0.319	S	S	.	.				0	-76.5	0	-165.1	-176.5	-71.3	0	0	112.7	D3 D4 A5 V165 I247 Y248	M1-D3 PolarHBondContact O-N 3.4Å; M1-D4 PolarHBondContact N-OD2 3.42Å; M1-D4 PolarHBondContact O-N 3.02Å; M1-A5 WeakPolarHBondContact O-CB 3.07Å; M1-A5 PolarHBondContact O-N 3.39Å; M1-V165 HydrophobicContact CG-CG1 4.19Å; M1-V165 HydrophobicContact SD-CG1 4.42Å; M1-I247 HydrophobicContact CB-CG2 3.82Å; M1-I247 HydrophobicContact CE-CB 4.5Å; M1-I247 HydrophobicContact CE-CG2 4.12Å; M1-I247 HydrophobicContact CG-CD1 4.19Å; M1-I247 HydrophobicContact CG-CG2 3.83Å; M1-Y248 HydrophobicContact CE-CD2 3.67Å; M1-Y248 HydrophobicContact CE-CE2 3.78Å
2	R	68.7	Low	73.6	Confident	86 Å²	86	64.4 Å²	64.4	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-41.9	-177.5	-70.8	-169.9	-171.9	149	9.3	113	D4 A5 L6 L166	R2-D4 PolarHBondContact O-N 3.4Å; R2-A5 PolarHBondContact O-N 3.26Å; R2-L6 WeakPolarHBondContact O-CB 3.45Å; R2-L6 PolarHBondContact O-N 3.09Å; R2-L166 HydrophobicContact CB-CD2 4.25Å; R2-L166 VanDerWaalsContact O-CD2 3.23Å; R2-L166 WeakPolarHBondContact O-CD2 3.32Å
3	D	68	Low	73.8	Confident	90 Å²	90	60.8 Å²	60.8	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-39	179.4	-61.7	-13.6	0	0	0	112.3	M1 L6 K7 L22	M1-D3 PolarHBondContact O-N 3.4Å; D3-L6 PolarHBondContact O-N 3.49Å; D3-K7 VanDerWaalsContact O-CG 3.3Å; D3-K7 WeakPolarHBondContact O-CG 3.3Å; D3-K7 PolarHBondContact O-N 2.93Å; D3-L22 WeakPolarHBondContact OD1-CD2 3.29Å
4	D	71.7	Confident	73.1	Confident	83 Å²	83	67.6 Å²	67.6	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-71	-41.2	178.2	-48.2	-55.3	0	0	0	111.3	M1 R2 L6 K7 K8	M1-D4 PolarHBondContact N-OD2 3.42Å; M1-D4 PolarHBondContact O-N 3.02Å; R2-D4 PolarHBondContact O-N 3.4Å; D4-L6 VanDerWaalsContact C-N 3.32Å; D4-L6 PolarHBondContact O-N 3.19Å; D4-K7 PolarHBondContact O-N 3.15Å; D4-K8 WeakPolarHBondContact O-CB 3.49Å; D4-K8 PolarHBondContact O-N 2.68Å
5	A	72.6	Confident	72.3	Confident	2 Å²	2	66.3 Å²	66.3	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-42.2	174	0	0	0	0	0	111.3	M1 R2 K8 L9 L162 V165 L166	M1-A5 WeakPolarHBondContact O-CB 3.07Å; M1-A5 PolarHBondContact O-N 3.39Å; R2-A5 PolarHBondContact O-N 3.26Å; A5-K8 PolarHBondContact O-N 3.19Å; A5-L9 VanDerWaalsContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 3.34Å; A5-L162 HydrophobicContact CB-CD2 3.95Å; A5-V165 HydrophobicContact CB-CB 4.46Å; A5-V165 HydrophobicContact CB-CG1 3.95Å; A5-L166 HydrophobicContact CB-CD2 4.08Å
6	L	75.3	Confident	71	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-45.6	176.4	-177.3	62.8	0	0	0	111.3	R2 D3 D4 K8 L9 L10 I21 L22 L166	R2-L6 WeakPolarHBondContact O-CB 3.45Å; R2-L6 PolarHBondContact O-N 3.09Å; D3-L6 PolarHBondContact O-N 3.49Å; D4-L6 VanDerWaalsContact C-N 3.32Å; D4-L6 PolarHBondContact O-N 3.19Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 2.6Å; L6-L9 PolarHBondContact O-N 3.15Å; L6-L10 HydrophobicContact CD1-CD1 4.29Å; L6-L10 HydrophobicContact CD1-CG 4.23Å; L6-L10 HydrophobicContact CG-CD1 4.05Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.02Å; L6-L10 PolarHBondContact O-N 3.05Å; L6-I21 HydrophobicContact CD1-CG2 4.14Å; L6-I21 HydrophobicContact CD2-CG2 4.3Å; L6-L22 HydrophobicContact CD2-CD1 3.98Å; L6-L22 HydrophobicContact CD2-CD2 3.53Å; L6-L22 HydrophobicContact CD2-CG 3.6Å; L6-L166 HydrophobicContact CB-CD2 3.97Å; L6-L166 HydrophobicContact CD1-CD1 3.97Å
7	K	73.5	Confident	69.8	Low	129 Å²	129	75.6 Å²	75.6	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-57.4	-47.6	175.8	-75.2	171.2	-174.3	171.2	0	111.4	D3 D4 L9 L10 Q11	D3-K7 VanDerWaalsContact O-CG 3.3Å; D3-K7 WeakPolarHBondContact O-CG 3.3Å; D3-K7 PolarHBondContact O-N 2.93Å; D4-K7 PolarHBondContact O-N 3.15Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-L9 PolarHBondContact O-N 3.35Å; K7-L10 PolarHBondContact O-N 2.96Å; K7-Q11 WeakPolarHBondContact O-CG 3.38Å; K7-Q11 PolarHBondContact O-N 2.72Å
8	K	78.7	Confident	68.7	Low	78 Å²	78	73.9 Å²	73.9	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-63.3	-41.4	178.6	-162.9	177	-162.4	-165.7	0	111.6	D4 A5 L6 L10 Q11 I12 E158 L162 F243	D4-K8 WeakPolarHBondContact O-CB 3.49Å; D4-K8 PolarHBondContact O-N 2.68Å; A5-K8 PolarHBondContact O-N 3.19Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 2.6Å; K8-L10 PolarHBondContact O-N 3.44Å; K8-Q11 WeakPolarHBondContact O-CB 3.36Å; K8-Q11 PolarHBondContact O-N 2.89Å; K8-I12 HydrophobicContact CG-CD1 4.43Å; K8-I12 WeakPolarHBondContact O-CG1 3.37Å; K8-I12 PolarHBondContact O-N 2.92Å; K8-I12 VanDerWaalsContact O-N 3.1Å; K8-E158 WeakPolarHBondContact CE-OE1 2.79Å; K8-E158 IonicContact NZ-OE1 2.71Å; K8-E158 PolarHBondContact NZ-OE1 2.9Å; K8-L162 HydrophobicContact CB-CD1 3.9Å; K8-L162 HydrophobicContact CB-CD2 4.44Å; K8-L162 HydrophobicContact CD-CD1 4.09Å; K8-L162 HydrophobicContact CD-CD2 4.34Å; K8-L162 HydrophobicContact CG-CD1 3.9Å; K8-F243 HydrophobicContact CD-CE1 4.24Å
9	L	79.7	Confident	67.4	Low	1 Å²	1	80.3 Å²	80.3	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-43.5	177.9	-177.5	62.9	0	0	0	112	A5 L6 K7 Q11 I12 L13 I137 A159 L162 L166	A5-L9 VanDerWaalsContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 3.34Å; L6-L9 PolarHBondContact O-N 3.15Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-L9 PolarHBondContact O-N 3.35Å; L9-Q11 VanDerWaalsContact C-N 3.34Å; L9-I12 PolarHBondContact O-N 3.29Å; L9-L13 HydrophobicContact CD1-CD1 3.57Å; L9-L13 HydrophobicContact CD1-CG 4.15Å; L9-L13 HydrophobicContact CG-CD1 3.84Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-I137 HydrophobicContact CD1-CG2 4.33Å; L9-I137 HydrophobicContact CD2-CD1 4.01Å; L9-I137 HydrophobicContact CD2-CG2 3.83Å; L9-I137 HydrophobicContact CG-CG2 4.39Å; L9-A159 HydrophobicContact CD1-CB 3.73Å; L9-A159 WeakPolarHBondContact CD1-O 3.47Å; L9-L162 HydrophobicContact CB-CB 4.14Å; L9-L162 HydrophobicContact CB-CD1 4.13Å; L9-L162 HydrophobicContact CD1-CB 4.1Å; L9-L166 HydrophobicContact CD2-CD1 3.57Å
10	L	77	Confident	66.4	Low	33 Å²	33	78 Å²	78	17%	0.173	39%	0.392	C	S	.	.	H	α-helix	trans	-65.7	-36.7	177.2	-69.1	173	0	0	0	112	L6 K7 K8 I12 L13 N14 I15 V17	L6-L10 HydrophobicContact CD1-CD1 4.29Å; L6-L10 HydrophobicContact CD1-CG 4.23Å; L6-L10 HydrophobicContact CG-CD1 4.05Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.02Å; L6-L10 PolarHBondContact O-N 3.05Å; K7-L10 PolarHBondContact O-N 2.96Å; K8-L10 PolarHBondContact O-N 3.44Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 3.1Å; L10-N14 PolarHBondContact O-N 3.2Å; L10-I15 HydrophobicContact CD2-CB 4.46Å; L10-V17 HydrophobicContact CD1-CG2 4.41Å
11	Q	80	Confident	65.7	Low	158 Å²	158	75 Å²	75	74%	0.738	38%	0.377	S	S	*	.	H	α-helix	trans	-62.7	-38.5	173.5	-73.4	173.6	-6.2	0	0	112.3	K7 K8 L9	K7-Q11 WeakPolarHBondContact O-CG 3.38Å; K7-Q11 PolarHBondContact O-N 2.72Å; K8-Q11 WeakPolarHBondContact O-CB 3.36Å; K8-Q11 PolarHBondContact O-N 2.89Å; L9-Q11 VanDerWaalsContact C-N 3.34Å
12	I	77	Confident	65	Low	27 Å²	27	76 Å²	76	14%	0.138	38%	0.383	C	S	.	.	H	α-helix	trans	-71.6	-41.5	178.5	-65.5	165.3	0	0	0	111.3	K8 L9 L10 L144 Q155 E158 A159 L162	K8-I12 HydrophobicContact CG-CD1 4.43Å; K8-I12 WeakPolarHBondContact O-CG1 3.37Å; K8-I12 PolarHBondContact O-N 2.92Å; K8-I12 VanDerWaalsContact O-N 3.1Å; L9-I12 PolarHBondContact O-N 3.29Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 3.41Å; I12-L144 HydrophobicContact CG2-CD1 3.81Å; I12-Q155 HydrophobicContact CG2-CB 4.2Å; I12-E158 HydrophobicContact CD1-CB 4.3Å; I12-E158 HydrophobicContact CD1-CG 3.74Å; I12-A159 HydrophobicContact CG2-CB 4.04Å; I12-L162 HydrophobicContact CD1-CD1 3.74Å
13	L	76.2	Confident	63.8	Low	18 Å²	18	80.7 Å²	80.7	9%	0.094	40%	0.401	C	S	.	.	H	α-helix	trans	-91.3	-12.2	-171	-61.6	175.1	0	0	0	114.6	L9 L10 I15 I137 A140 I141 L144 A159	L9-L13 HydrophobicContact CD1-CD1 3.57Å; L9-L13 HydrophobicContact CD1-CG 4.15Å; L9-L13 HydrophobicContact CG-CD1 3.84Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 3.03Å; L10-L13 PolarHBondContact O-N 3.1Å; L13-I15 HydrophobicContact CB-CD1 3.75Å; L13-I15 HydrophobicContact CB-CG1 3.64Å; L13-I15 HydrophobicContact CD1-CD1 3.97Å; L13-I15 HydrophobicContact CG-CD1 4.48Å; L13-I15 PolarHBondContact O-N 3.29Å; L13-I137 HydrophobicContact CD1-CG2 3.78Å; L13-A140 HydrophobicContact CB-CB 4.27Å; L13-A140 HydrophobicContact CD1-CB 4.2Å; L13-A140 HydrophobicContact CD2-CB 4Å; L13-A140 HydrophobicContact CG-CB 4.41Å; L13-I141 HydrophobicContact CD1-CG1 4.04Å; L13-I141 HydrophobicContact CD2-CB 4.39Å; L13-I141 HydrophobicContact CD2-CG1 3.72Å; L13-I141 HydrophobicContact CG-CG1 4.5Å; L13-L144 HydrophobicContact CD2-CD1 3.57Å; L13-L144 HydrophobicContact CD2-CG 4.17Å; L13-A159 HydrophobicContact CD2-CB 4.24Å
14	N	64.8	Low	62.6	Low	155 Å²	155	78.6 Å²	78.6	83%	0.829	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	44.7	-176.4	-161.3	24.1	0	0	0	112.9	L10	L10-N14 PolarHBondContact O-N 3.2Å
15	I	59.9	Low	61.3	Low	49 Å²	49	81.9 Å²	81.9	25%	0.251	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-101.8	137	177.5	-45.2	174.2	0	0	0	108.5	L10 L13 A140	L10-I15 HydrophobicContact CD2-CB 4.46Å; L13-I15 HydrophobicContact CB-CD1 3.75Å; L13-I15 HydrophobicContact CB-CG1 3.64Å; L13-I15 HydrophobicContact CD1-CD1 3.97Å; L13-I15 HydrophobicContact CG-CD1 4.48Å; L13-I15 PolarHBondContact O-N 3.29Å; I15-A140 HydrophobicContact CD1-CB 3.33Å; I15-A140 HydrophobicContact CG1-CB 4.01Å
16	E	52	Low	59.8	Low	181 Å²	181	87.3 Å²	87.3	85%	0.846	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-60.1	139.4	167.1	-65.8	-179.6	171.5	0	0	110.2	L18	E16-L18 PolarHBondContact O-N 2.9Å; E16-L18 VanDerWaalsContact O-N 3.15Å
17	V	50.2	Low	58.2	Low	109 Å²	109	95 Å²	95	66%	0.661	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-46.3	118	-170.3	178.9	0	0	0	0	112.1	L10 E19	L10-V17 HydrophobicContact CD1-CG2 4.41Å; V17-E19 PolarHBondContact O-N 3.29Å; V17-E19 VanDerWaalsContact O-N 3.11Å
18	L	51.2	Low	56.6	Low	46 Å²	46	92.5 Å²	92.5	24%	0.241	46%	0.456	C	S	.	.			trans	-70.2	104.5	175.1	-74	161.3	0	0	0	109.8	E16 G20 I21 P136 I137	E16-L18 PolarHBondContact O-N 2.9Å; E16-L18 VanDerWaalsContact O-N 3.15Å; L18-G20 PolarHBondContact O-N 3.28Å; L18-I21 HydrophobicContact CB-CD1 3.58Å; L18-I21 HydrophobicContact CB-CG1 3.91Å; L18-I21 HydrophobicContact CD1-CD1 3.54Å; L18-I21 HydrophobicContact CG-CD1 4.19Å; L18-P136 HydrophobicContact CD1-CB 4.29Å; L18-P136 HydrophobicContact CD2-CB 4.06Å; L18-P136 HydrophobicContact CD2-CG 4.29Å; L18-I137 HydrophobicContact CD1-CD1 3.99Å; L18-I137 HydrophobicContact CD1-CG1 3.55Å
19	E	43.4	Very low	54.5	Low	194 Å²	194	94.9 Å²	94.9	91%	0.907	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	120.3	170	-73.9	-168	151.4	0	0	110	V17	V17-E19 PolarHBondContact O-N 3.29Å; V17-E19 VanDerWaalsContact O-N 3.11Å
20	G	47.7	Very low	52.2	Low	35 Å²	35	97.5 Å²	97.5	36%	0.361	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.5	-24.3	174.3	0	0	0	0	0	115.6	L18 L22 R23 A24	L18-G20 PolarHBondContact O-N 3.28Å; G20-L22 VanDerWaalsContact C-N 3.32Å; G20-L22 PolarHBondContact O-N 3.02Å; G20-R23 PolarHBondContact O-N 3.45Å; G20-R23 VanDerWaalsContact O-N 3.12Å; G20-A24 PolarHBondContact O-N 3.36Å
21	I	52	Low	50	Low	14 Å²	14	102.1 Å²	102.1	7%	0.072	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38.5	-179.4	-62.6	-171.8	0	0	0	111.4	L6 L18 Y134 I137	L6-I21 HydrophobicContact CD1-CG2 4.14Å; L6-I21 HydrophobicContact CD2-CG2 4.3Å; L18-I21 HydrophobicContact CB-CD1 3.58Å; L18-I21 HydrophobicContact CB-CG1 3.91Å; L18-I21 HydrophobicContact CD1-CD1 3.54Å; L18-I21 HydrophobicContact CG-CD1 4.19Å; I21-Y134 HydrophobicContact CD1-CD1 4.5Å; I21-Y134 HydrophobicContact CD1-CE1 4.48Å; I21-Y134 HydrophobicContact CG2-CE1 3.91Å; I21-I137 HydrophobicContact CD1-CD1 3.38Å; I21-I137 HydrophobicContact CD1-CG1 4.32Å
22	L	44.9	Very low	47.6	Very low	98 Å²	98	100.2 Å²	100.2	51%	0.513	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-80.9	-18.6	176.1	-66.8	175.8	0	0	0	113.7	D3 L6 G20 A24	D3-L22 WeakPolarHBondContact OD1-CD2 3.29Å; L6-L22 HydrophobicContact CD2-CD1 3.98Å; L6-L22 HydrophobicContact CD2-CD2 3.53Å; L6-L22 HydrophobicContact CD2-CG 3.6Å; G20-L22 VanDerWaalsContact C-N 3.32Å; G20-L22 PolarHBondContact O-N 3.02Å; L22-A24 PolarHBondContact O-N 2.9Å
23	R	43.2	Very low	45.3	Very low	184 Å²	184	102.7 Å²	102.7	69%	0.694	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-78	-6.7	176.4	-67	-169.6	-177.6	-170.3	3.5	113.1	G20 K25 D26	G20-R23 PolarHBondContact O-N 3.45Å; G20-R23 VanDerWaalsContact O-N 3.12Å; R23-K25 PolarHBondContact O-N 2.92Å; R23-D26 PolarHBondContact O-N 3.33Å
24	A	44.3	Very low	43.2	Very low	46 Å²	46	107.7 Å²	107.7	38%	0.38	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-61.2	-13.9	171.5	0	0	0	0	0	113.1	G20 L22 D26 R27	G20-A24 PolarHBondContact O-N 3.36Å; L22-A24 PolarHBondContact O-N 2.9Å; A24-D26 PolarHBondContact O-N 3.46Å; A24-R27 PolarHBondContact O-N 3.34Å
25	K	42.6	Very low	41.7	Very low	151 Å²	151	107.9 Å²	107.9	66%	0.657	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-59.9	-33	170.5	-146.3	172.1	-176.5	177	0	112.1	R23 R27 I28	R23-K25 PolarHBondContact O-N 2.92Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 2.97Å; K25-I28 WeakPolarHBondContact O-CB 3.34Å; K25-I28 PolarHBondContact O-N 3.01Å
26	D	41.9	Very low	40.4	Very low	117 Å²	117	114.8 Å²	114.8	63%	0.626	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-78.3	-10.3	-177.6	-58.1	-27.8	0	0	0	113.6	R23 A24	R23-D26 PolarHBondContact O-N 3.33Å; A24-D26 PolarHBondContact O-N 3.46Å
27	R	41.5	Very low	39.3	Very low	172 Å²	172	111.2 Å²	111.2	65%	0.649	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-87	-9.4	170.6	-75.3	-170.1	178.1	179.3	2.2	113.4	A24 K25	A24-R27 PolarHBondContact O-N 3.34Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 2.97Å
28	I	40.5	Very low	38.4	Very low	77 Å²	77	113.8 Å²	113.8	40%	0.395	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-28.4	178.7	-58.3	176.8	0	0	0	110.4	K25	K25-I28 WeakPolarHBondContact O-CB 3.34Å; K25-I28 PolarHBondContact O-N 3.01Å
29	D	35.3	Very low	37.5	Very low	128 Å²	128	119.3 Å²	119.3	68%	0.684	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-83.2	-15.3	177.8	-63.7	-30.5	0	0	0	113.4	L31	D29-L31 PolarHBondContact O-N 3.45Å
30	G	30.7	Very low	36.8	Very low	55 Å²	55	115.2 Å²	115.2	57%	0.567	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-78.9	-7.5	-179.2	0	0	0	0	0	116
31	L	30.8	Very low	35.9	Very low	131 Å²	131	118.4 Å²	118.4	69%	0.686	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-104.3	1.8	-179.6	-69.6	171.2	0	0	0	113.8	D29 S33	D29-L31 PolarHBondContact O-N 3.45Å; L31-S33 VanDerWaalsContact C-N 3.3Å
32	C	29.2	Very low	35.1	Very low	117 Å²	117	124.6 Å²	124.6	79%	0.791	67%	0.673	S	S	*	*			trans	-91.2	15	168.8	-74.9	0	0	0	0	113
33	S	28.1	Very low	34.4	Very low	79 Å²	79	127.1 Å²	127.1	55%	0.552	69%	0.686	S	S	*	*			trans	-89.7	126.1	176.1	-158	0	0	0	0	111.2	L31 Q35	L31-S33 VanDerWaalsContact C-N 3.3Å; S33-Q35 PolarHBondContact O-N 3.48Å
34	P	32.2	Very low	33.7	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	16	-168.8	-16.7	30.2	0	0	0	117.2
35	Q	34.7	Very low	33	Very low	159 Å²	159	133.8 Å²	133.8	74%	0.743	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	9.5	-159.7	-65	-169.6	-4.8	0	0	117.4	S33	S33-Q35 PolarHBondContact O-N 3.48Å
36	H	32.5	Very low	32.3	Very low	194 Å²	194	129.6 Å²	129.6	90%	0.898	72%	0.718	S	S	*	*			trans	-118.8	73.9	169.9	-74.2	-72.5	0	0	0	112.3	L38	H36-L38 PolarHBondContact O-N 3.36Å
37	S	28	Very low	31.7	Very low	106 Å²	106	135.3 Å²	135.3	74%	0.741	73%	0.731	S	S	*	*			trans	-82.6	78.3	173.9	59.4	0	0	0	0	111.8
38	L	31.7	Very low	31.4	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	74%	0.743	S	S	*	*			trans	-144.3	27.7	168.2	-77.9	-176.1	0	0	0	114.9	H36	H36-L38 PolarHBondContact O-N 3.36Å
39	L	33.3	Very low	31.3	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	76%	0.761	S	S	*	*			trans	-125.4	101.3	164	-71.8	177.7	0	0	0	110.8	S41	L39-S41 PolarHBondContact O-N 3.33Å
40	P	28	Very low	31.5	Very low	107 Å²	107	144.6 Å²	144.6	70%	0.695	77%	0.773	S	S	*	*			trans	-69.2	126.8	169.2	-8.1	24.2	0	0	0	109.8
41	S	29.2	Very low	32	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	77%	0.767	S	S	*	*	S	Bend	trans	77.4	25.3	140.5	71.2	0	0	0	0	123.3	L39	L39-S41 PolarHBondContact O-N 3.33Å
42	F	33.6	Very low	32.6	Very low	143 Å²	143	143.7 Å²	143.7	63%	0.627	76%	0.755	S	S	*	*	S	Bend	trans	-121.2	-5.5	168.3	-74.8	-93	0	0	0	116.9
43	L	31.1	Very low	33.7	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	74%	0.739	S	S	*	*			trans	-117	72.6	178.3	-65.2	172.4	0	0	0	110.7	L45	L43-L45 HydrophobicContact CD2-CD1 4.44Å
44	K	27.6	Very low	35	Very low	209 Å²	209	139.9 Å²	139.9	91%	0.909	73%	0.733	S	S	*	*			trans	-101.1	72.8	150.4	-88.3	-174.7	175.9	178.2	0	107.2	G46	K44-G46 PolarHBondContact O-N 3.11Å
45	L	29.9	Very low	36.1	Very low	161 Å²	161	137.8 Å²	137.8	84%	0.843	71%	0.712	S	S	*	*			trans	-69.8	89.7	153.5	-101.8	125.8	0	0	0	105.6	L43 R47	L43-L45 HydrophobicContact CD2-CD1 4.44Å; L45-R47 PolarHBondContact O-N 3.46Å
46	G	28.3	Very low	36.9	Very low	63 Å²	63	134.5 Å²	134.5	65%	0.649	69%	0.694	S	S	*	*			trans	-60.9	128	172.9	0	0	0	0	0	109.1	K44	K44-G46 PolarHBondContact O-N 3.11Å
47	R	30.3	Very low	37.9	Very low	238 Å²	238	128 Å²	128	90%	0.898	66%	0.664	S	S	*	*			trans	22.8	103.3	152.8	-71.1	179.6	173.2	171.9	-3.1	114	L45 K49	L45-R47 PolarHBondContact O-N 3.46Å; R47-K49 PolarHBondContact O-N 3.42Å
48	E	35.2	Very low	39.2	Very low	196 Å²	196	129.8 Å²	129.8	92%	0.916	66%	0.655	S	S	*	*			trans	-53.7	94.7	156.4	-75.8	-178	154	0	0	108.3	Q50	E48-Q50 PolarHBondContact O-N 3.33Å
49	K	36.8	Very low	40.1	Very low	177 Å²	177	125 Å²	125	77%	0.77	63%	0.63	S	S	*	*			trans	-61	128.2	151.1	-73.8	-179.1	175.5	-178.4	0	104.6	R47 L51	R47-K49 PolarHBondContact O-N 3.42Å; K49-L51 PolarHBondContact O-N 3.09Å
50	Q	40.2	Very low	41	Very low	198 Å²	198	120.1 Å²	120.1	93%	0.925	60%	0.602	S	S	*	*			trans	-57.1	93	170.5	-67.4	-158.2	-17.4	0	0	108.4	E48	E48-Q50 PolarHBondContact O-N 3.33Å
51	L	40.4	Very low	42	Very low	87 Å²	87	120.6 Å²	120.6	46%	0.455	60%	0.595	S	S	.	*			trans	-73.2	132.3	172.3	-79.7	149.1	0	0	0	106.2	K49 Q55	K49-L51 PolarHBondContact O-N 3.09Å; L51-Q55 HydrophobicContact CB-CB 4.41Å; L51-Q55 HydrophobicContact CD2-CB 3.82Å
52	N	45.1	Very low	42.8	Very low	81 Å²	81	119.3 Å²	119.3	43%	0.433	58%	0.579	S	S	.	*			trans	-62.3	153.4	171.9	91	28.3	0	0	0	109.2	A54 Q55 Y56	N52-A54 PolarHBondContact O-N 2.96Å; N52-A54 WeakPolarHBondContact OD1-CA 3.34Å; N52-A54 WeakPolarHBondContact OD1-CB 3.35Å; N52-A54 PolarHBondContact OD1-N 3.32Å; N52-Q55 CarbonylContact O-C 3.55Å; N52-Q55 WeakPolarHBondContact O-CA 3.21Å; N52-Q55 WeakPolarHBondContact O-CB 3.32Å; N52-Q55 PolarHBondContact O-N 3.48Å; N52-Q55 PolarHBondContact OD1-N 3.44Å; N52-Y56 PolarHBondContact O-N 3.48Å
53	S	51.7	Low	43	Very low	65 Å²	65	120.4 Å²	120.4	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-53.7	-38.2	-176.3	50.2	0	0	0	0	113.5	Y56 M57	S53-Y56 PolarHBondContact O-N 3.29Å; S53-M57 WeakPolarHBondContact O-CG 3.38Å; S53-M57 PolarHBondContact O-N 3.33Å
54	A	55.3	Low	43.4	Very low	50 Å²	50	115 Å²	115	41%	0.413	55%	0.554	S	S	.	*	H	α-helix	trans	-72.6	-25.8	176.8	0	0	0	0	0	113.7	N52 R58	N52-A54 PolarHBondContact O-N 2.96Å; N52-A54 WeakPolarHBondContact OD1-CA 3.34Å; N52-A54 WeakPolarHBondContact OD1-CB 3.35Å; N52-A54 PolarHBondContact OD1-N 3.32Å; A54-R58 WeakPolarHBondContact O-CB 3.4Å; A54-R58 PolarHBondContact O-N 2.94Å; A54-R58 VanDerWaalsContact O-N 3.11Å; A54-R58 PolarHBondContact O-NE 3.32Å
55	Q	55.4	Low	43.8	Very low	81 Å²	81	113.3 Å²	113.3	38%	0.379	55%	0.547	S	S	.	.	H	α-helix	trans	-78.3	-37.6	170.9	-77.2	171.9	-35.5	0	0	111	L51 N52 R58 D59	L51-Q55 HydrophobicContact CB-CB 4.41Å; L51-Q55 HydrophobicContact CD2-CB 3.82Å; N52-Q55 CarbonylContact O-C 3.55Å; N52-Q55 WeakPolarHBondContact O-CA 3.21Å; N52-Q55 WeakPolarHBondContact O-CB 3.32Å; N52-Q55 PolarHBondContact O-N 3.48Å; N52-Q55 PolarHBondContact OD1-N 3.44Å; Q55-R58 PolarHBondContact O-N 2.88Å; Q55-D59 WeakPolarHBondContact O-CB 3.39Å; Q55-D59 PolarHBondContact O-N 2.86Å
56	Y	52.2	Low	44.1	Very low	90 Å²	90	110.4 Å²	110.4	35%	0.353	53%	0.529	S	S	.	.	H	α-helix	trans	-61.9	-46	172.2	178.4	-94.9	0	0	0	111.6	N52 S53 D59 K60 Y248	N52-Y56 PolarHBondContact O-N 3.48Å; S53-Y56 PolarHBondContact O-N 3.29Å; Y56-D59 PolarHBondContact O-N 3.48Å; Y56-K60 HydrophobicContact CE1-CD 3.85Å; Y56-K60 WeakPolarHBondContact O-CB 3.47Å; Y56-K60 PolarHBondContact O-N 2.93Å; Y56-Y248 HydrophobicContact CE1-CE1 4.46Å; Y56-Y248 HydrophobicContact CE1-CE2 4.41Å; Y56-Y248 AromaticContact CE1-CZ 3.9Å; Y56-Y248 WeakPolarHBondContact CE1-OH 3.31Å
57	M	52.1	Low	44.6	Very low	57 Å²	57	111.4 Å²	111.4	28%	0.281	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-43.1	177.1	-71	-68	-92.9	0	0	111.7	S53 K60 E61	S53-M57 WeakPolarHBondContact O-CG 3.38Å; S53-M57 PolarHBondContact O-N 3.33Å; M57-K60 PolarHBondContact O-N 3.34Å; M57-E61 VanDerWaalsContact O-CB 3.28Å; M57-E61 WeakPolarHBondContact O-CB 3.44Å; M57-E61 WeakPolarHBondContact O-CG 3.32Å; M57-E61 PolarHBondContact O-N 3.45Å
58	R	54.9	Low	44.8	Very low	144 Å²	144	102.9 Å²	102.9	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-45.7	172.2	-89	-172.4	-73.4	171.5	-8.1	112.1	A54 Q55 K60 E61 I62	A54-R58 WeakPolarHBondContact O-CB 3.4Å; A54-R58 PolarHBondContact O-N 2.94Å; A54-R58 VanDerWaalsContact O-N 3.11Å; A54-R58 PolarHBondContact O-NE 3.32Å; Q55-R58 PolarHBondContact O-N 2.88Å; R58-K60 VanDerWaalsContact C-N 3.26Å; R58-K60 PolarHBondContact O-N 3.38Å; R58-E61 PolarHBondContact O-N 3.38Å; R58-I62 HydrophobicContact CB-CD1 4.32Å; R58-I62 WeakPolarHBondContact O-CA 3.2Å; R58-I62 WeakPolarHBondContact O-CB 3.47Å; R58-I62 VanDerWaalsContact O-CD1 3.29Å; R58-I62 WeakPolarHBondContact O-CD1 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.44Å; R58-I62 PolarHBondContact O-N 3.02Å
59	D	51.8	Low	44.9	Very low	62 Å²	62	99 Å²	99	33%	0.332	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-32.9	178.5	-76	-8.2	0	0	0	111.4	Q55 Y56 R63	Q55-D59 WeakPolarHBondContact O-CB 3.39Å; Q55-D59 PolarHBondContact O-N 2.86Å; Y56-D59 PolarHBondContact O-N 3.48Å; D59-R63 WeakPolarHBondContact O-CB 3.25Å; D59-R63 WeakPolarHBondContact O-CD 3.4Å; D59-R63 WeakPolarHBondContact O-CG 3.29Å; D59-R63 PolarHBondContact O-N 3.45Å
60	K	51	Low	45	Very low	60 Å²	60	93.1 Å²	93.1	26%	0.261	46%	0.459	S	S	.	.	H	α-helix	trans	-78.3	-38.8	177.4	-164.6	176.5	178.9	-174.1	0	112.1	Y56 M57 R58 R63 S64 E244	Y56-K60 HydrophobicContact CE1-CD 3.85Å; Y56-K60 WeakPolarHBondContact O-CB 3.47Å; Y56-K60 PolarHBondContact O-N 2.93Å; M57-K60 PolarHBondContact O-N 3.34Å; R58-K60 VanDerWaalsContact C-N 3.26Å; R58-K60 PolarHBondContact O-N 3.38Å; K60-R63 CarbonylContact O-C 3.56Å; K60-R63 PolarHBondContact O-N 3.48Å; K60-S64 VanDerWaalsContact O-CB 3.22Å; K60-S64 WeakPolarHBondContact O-CB 3.45Å; K60-S64 PolarHBondContact O-N 3.45Å; K60-E244 WeakPolarHBondContact CE-OE2 3.34Å; K60-E244 IonicContact NZ-OE2 3.69Å; K60-E244 PolarHBondContact NZ-OE2 3.44Å
61	E	49.3	Very low	45.2	Very low	117 Å²	117	90.2 Å²	90.2	55%	0.547	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-46.8	171.4	-79.1	-178.4	162.7	0	0	110.6	M57 R58 R63 S64 F65	M57-E61 VanDerWaalsContact O-CB 3.28Å; M57-E61 WeakPolarHBondContact O-CB 3.44Å; M57-E61 WeakPolarHBondContact O-CG 3.32Å; M57-E61 PolarHBondContact O-N 3.45Å; R58-E61 PolarHBondContact O-N 3.38Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 3.05Å; E61-S64 WeakPolarHBondContact CA-OG 3.32Å; E61-S64 CarbonylContact O-C 3.48Å; E61-S64 WeakPolarHBondContact O-CA 3.4Å; E61-S64 PolarHBondContact O-N 3.27Å; E61-S64 PolarHBondContact O-OG 3.17Å; E61-F65 WeakPolarHBondContact O-CB 3.34Å; E61-F65 PolarHBondContact O-N 2.78Å
62	I	46.7	Very low	45.3	Very low	75 Å²	75	87.2 Å²	87.2	39%	0.385	44%	0.436	S	S	.	.	H	α-helix	trans	-57.2	-48.8	172.3	-70.8	165	0	0	0	108.6	R58 S64 F65 Q66	R58-I62 HydrophobicContact CB-CD1 4.32Å; R58-I62 WeakPolarHBondContact O-CA 3.2Å; R58-I62 WeakPolarHBondContact O-CB 3.47Å; R58-I62 VanDerWaalsContact O-CD1 3.29Å; R58-I62 WeakPolarHBondContact O-CD1 3.29Å; R58-I62 WeakPolarHBondContact O-CG1 3.44Å; R58-I62 PolarHBondContact O-N 3.02Å; I62-S64 VanDerWaalsContact C-N 3.32Å; I62-S64 PolarHBondContact O-N 3.29Å; I62-F65 PolarHBondContact O-N 2.65Å; I62-Q66 HydrophobicContact CG2-CG 4.03Å; I62-Q66 WeakPolarHBondContact O-CA 3.47Å; I62-Q66 WeakPolarHBondContact O-CB 3.33Å; I62-Q66 WeakPolarHBondContact O-CG 3.42Å; I62-Q66 PolarHBondContact O-N 2.85Å
63	R	38.7	Very low	45.4	Very low	166 Å²	166	89.2 Å²	89.2	63%	0.626	45%	0.453	S	S	*	.	H	α-helix	trans	-60	-39.9	173	-78.6	170.6	-170.2	-157.9	6.4	111.8	D59 K60 E61 F65 Q66 F67	D59-R63 WeakPolarHBondContact O-CB 3.25Å; D59-R63 WeakPolarHBondContact O-CD 3.4Å; D59-R63 WeakPolarHBondContact O-CG 3.29Å; D59-R63 PolarHBondContact O-N 3.45Å; K60-R63 CarbonylContact O-C 3.56Å; K60-R63 PolarHBondContact O-N 3.48Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 3.05Å; R63-F65 PolarHBondContact O-N 3.24Å; R63-Q66 CarbonylContact O-C 3.39Å; R63-Q66 PolarHBondContact O-N 3.48Å; R63-F67 HydrophobicContact CB-CD2 4.34Å; R63-F67 HydrophobicContact CB-CE2 4.31Å; R63-F67 WeakPolarHBondContact O-CA 3.48Å; R63-F67 VanDerWaalsContact O-CB 3.26Å; R63-F67 WeakPolarHBondContact O-CB 3.28Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 WeakPolarHBondContact O-CG 3.44Å; R63-F67 PolarHBondContact O-N 3.19Å
64	S	39.7	Very low	45.5	Very low	37 Å²	37	91.9 Å²	91.9	26%	0.259	45%	0.454	S	S	.	.	H	α-helix	trans	-71.7	-28.4	-178.2	84.1	0	0	0	0	113.6	K60 E61 I62	K60-S64 VanDerWaalsContact O-CB 3.22Å; K60-S64 WeakPolarHBondContact O-CB 3.45Å; K60-S64 PolarHBondContact O-N 3.45Å; E61-S64 WeakPolarHBondContact CA-OG 3.32Å; E61-S64 CarbonylContact O-C 3.48Å; E61-S64 WeakPolarHBondContact O-CA 3.4Å; E61-S64 PolarHBondContact O-N 3.27Å; E61-S64 PolarHBondContact O-OG 3.17Å; I62-S64 VanDerWaalsContact C-N 3.32Å; I62-S64 PolarHBondContact O-N 3.29Å
65	F	35.1	Very low	45.7	Very low	175 Å²	175	95.4 Å²	95.4	77%	0.768	46%	0.462	S	S	*	.	H	α-helix	trans	-83.5	-36.7	172.5	-130.4	-91.4	0	0	0	110.6	E61 I62 R63 S68	E61-F65 WeakPolarHBondContact O-CB 3.34Å; E61-F65 PolarHBondContact O-N 2.78Å; I62-F65 PolarHBondContact O-N 2.65Å; R63-F65 PolarHBondContact O-N 3.24Å; F65-S68 PolarHBondContact O-OG 3.32Å
66	Q	36	Very low	46.4	Very low	99 Å²	99	94.6 Å²	94.6	46%	0.463	46%	0.457	S	S	.	.	H	α-helix	trans	-82.8	-8.2	176.6	-73	-176.7	-10.6	0	0	114.3	I62 R63 S68 H69 A70	I62-Q66 HydrophobicContact CG2-CG 4.03Å; I62-Q66 WeakPolarHBondContact O-CA 3.47Å; I62-Q66 WeakPolarHBondContact O-CB 3.33Å; I62-Q66 WeakPolarHBondContact O-CG 3.42Å; I62-Q66 PolarHBondContact O-N 2.85Å; R63-Q66 CarbonylContact O-C 3.39Å; R63-Q66 PolarHBondContact O-N 3.48Å; Q66-S68 PolarHBondContact O-N 2.87Å; Q66-H69 PolarHBondContact O-N 3.31Å; Q66-A70 HydrophobicContact CB-CB 3.73Å; Q66-A70 WeakPolarHBondContact O-CB 3.48Å; Q66-A70 PolarHBondContact O-N 2.93Å
67	F	38	Very low	47.6	Very low	85 Å²	85	97.3 Å²	97.3	37%	0.373	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-5.4	169.5	-103.4	-68.8	0	0	0	111.4	R63 E177	R63-F67 HydrophobicContact CB-CD2 4.34Å; R63-F67 HydrophobicContact CB-CE2 4.31Å; R63-F67 WeakPolarHBondContact O-CA 3.48Å; R63-F67 VanDerWaalsContact O-CB 3.26Å; R63-F67 WeakPolarHBondContact O-CB 3.28Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 WeakPolarHBondContact O-CG 3.44Å; R63-F67 PolarHBondContact O-N 3.19Å; F67-E177 WeakPolarHBondContact CE1-OE1 3.24Å
68	S	35.6	Very low	49.3	Very low	59 Å²	59	95.1 Å²	95.1	41%	0.413	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.4	165.8	60.5	0	0	0	0	113.9	F65 Q66	F65-S68 PolarHBondContact O-OG 3.32Å; Q66-S68 PolarHBondContact O-N 2.87Å
69	H	37.7	Very low	51	Low	113 Å²	113	91.4 Å²	91.4	52%	0.523	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.2	-1.8	-166.5	-74.3	93.3	0	0	0	118.3	Q66 Q75	Q66-H69 PolarHBondContact O-N 3.31Å; H69-Q75 PolarHBondContact CD2-NE2 3.4Å; H69-Q75 PolarHBondContact NE2-NE2 2.85Å
70	A	37.8	Very low	52.9	Low	54 Å²	54	88.5 Å²	88.5	45%	0.446	45%	0.447	S	S	.	.	S	Bend	trans	-101.1	2	-155.4	0	0	0	0	0	120.6	Q66	Q66-A70 HydrophobicContact CB-CB 3.73Å; Q66-A70 WeakPolarHBondContact O-CB 3.48Å; Q66-A70 PolarHBondContact O-N 2.93Å
71	N	44.2	Very low	54.8	Low	138 Å²	138	85.8 Å²	85.8	74%	0.738	44%	0.435	S	S	*	.	S	Bend	trans	-129.5	6.7	177.5	-75.3	-40	0	0	0	115.8
72	S	43.1	Very low	56.6	Low	23 Å²	23	82.1 Å²	82.1	16%	0.161	42%	0.419	C	S	.	.			trans	-136	124.2	169.1	176.7	0	0	0	0	108.8	Y74 I85	S72-Y74 PolarHBondContact O-N 2.87Å; S72-Y74 WeakPolarHBondContact OG-CD2 3.28Å; S72-Y74 PolarHBondContact OG-N 3.22Å; S72-I85 WeakPolarHBondContact OG-CG2 3.26Å
73	P	47.5	Very low	58.8	Low	124 Å²	124	79.5 Å²	79.5	81%	0.805	41%	0.406	S	S	*	.	S	Bend	trans	-70	4	176.6	30.2	-34.9	0	0	0	113.3
74	Y	52.7	Low	61.4	Low	120 Å²	120	71.6 Å²	71.6	47%	0.471	38%	0.376	S	S	.	.			trans	-102	116.7	-177.7	-59.4	-79.3	0	0	0	110.2	S72 L96	S72-Y74 PolarHBondContact O-N 2.87Å; S72-Y74 WeakPolarHBondContact OG-CD2 3.28Å; S72-Y74 PolarHBondContact OG-N 3.22Å; Y74-L96 HydrophobicContact CD2-CD1 4.22Å; Y74-L96 HydrophobicContact CD2-CD2 4.37Å; Y74-L96 HydrophobicContact CE1-CD1 4.01Å; Y74-L96 HydrophobicContact CE2-CD1 3.64Å; Y74-L96 HydrophobicContact CG-CD2 4.35Å
75	Q	60.8	Low	63.8	Low	124 Å²	124	70.1 Å²	70.1	58%	0.579	37%	0.365	S	S	*	.			trans	-104.2	126.3	163.5	-68.6	174.8	8.4	0	0	107.6	H69	H69-Q75 PolarHBondContact CD2-NE2 3.4Å; H69-Q75 PolarHBondContact NE2-NE2 2.85Å
76	F	70.3	Confident	66.3	Low	64 Å²	64	63.6 Å²	63.6	28%	0.281	34%	0.341	S	S	.	.			trans	-92.1	-5.2	179.6	-73.7	-88.2	0	0	0	113	D78 M81 D82 I85 L96 I99	F76-D78 HydrophobicContact CB-CB 4.49Å; F76-D78 PolarHBondContact O-N 3.07Å; F76-M81 HydrophobicContact CB-CB 3.58Å; F76-M81 HydrophobicContact CB-CG 4.07Å; F76-M81 HydrophobicContact CD2-CB 3.84Å; F76-M81 HydrophobicContact CG-CB 3.74Å; F76-M81 HydrophobicContact CG-CG 4.21Å; F76-D82 PolarHBondContact N-OD1 3.4Å; F76-I85 HydrophobicContact CD2-CG1 4.18Å; F76-I85 HydrophobicContact CE2-CD1 3.76Å; F76-I85 HydrophobicContact CE2-CG1 3.75Å; F76-I85 HydrophobicContact CZ-CD1 4.4Å; F76-L96 HydrophobicContact CZ-CD2 3.78Å; F76-I99 HydrophobicContact CE1-CD1 4.28Å; F76-I99 HydrophobicContact CE1-CG2 3.97Å; F76-I99 HydrophobicContact CZ-CD1 3.97Å
77	N	77.4	Confident	69	Low	147 Å²	147	58.9 Å²	58.9	79%	0.786	32%	0.319	S	S	*	.	S	Bend	trans	55.4	25.7	-166.9	-60.3	-36.3	0	0	0	112.7
78	D	86.6	Confident	71.5	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.059	30%	0.303	C	S	.	.			trans	-134.5	112	176.3	179.8	40.4	0	0	0	108.5	F76 W80 M81 D82 R109	F76-D78 HydrophobicContact CB-CB 4.49Å; F76-D78 PolarHBondContact O-N 3.07Å; D78-W80 PolarHBondContact O-N 3.41Å; D78-W80 VanDerWaalsContact O-N 3.07Å; D78-W80 WeakPolarHBondContact OD2-CB 3.41Å; D78-M81 HydrophobicContact CB-CB 4.21Å; D78-M81 HydrophobicContact CB-CG 3.99Å; D78-M81 WeakPolarHBondContact O-CB 3.44Å; D78-M81 PolarHBondContact O-N 2.71Å; D78-M81 WeakPolarHBondContact OD2-CG 3.27Å; D78-D82 PolarHBondContact O-N 2.96Å; D78-R109 IonicContact OD1-CZ 3.59Å; D78-R109 IonicContact OD1-NE 3.53Å; D78-R109 PolarHBondContact OD1-NE 3.12Å; D78-R109 IonicContact OD1-NH2 3.67Å; D78-R109 PolarHBondContact OD1-NH2 2.73Å; D78-R109 IonicContact OD2-CZ 3.79Å; D78-R109 IonicContact OD2-NE 3.14Å; D78-R109 PolarHBondContact OD2-NE 3.22Å; D78-R109 IonicContact OD2-NH2 2.75Å
79	P	90.7	Very high	73.7	Confident	66 Å²	66	53.3 Å²	53.3	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-24.7	-173.4	-20	28.7	0	0	0	113.5	L83 Y184	P79-L83 WeakPolarHBondContact O-CB 3.48Å; P79-L83 WeakPolarHBondContact O-CG 3.36Å; P79-L83 PolarHBondContact O-N 3.15Å; P79-Y184 HydrophobicContact CB-CE1 4.39Å; P79-Y184 HydrophobicContact CB-CE2 3.85Å; P79-Y184 WeakPolarHBondContact CB-OH 3.2Å
80	W	92.2	Very high	75.6	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-50.3	172.7	-171.3	-64.8	0	0	0	111.1	D78 A84 R109 F181 Y184 V185 K188 L193	D78-W80 PolarHBondContact O-N 3.41Å; D78-W80 VanDerWaalsContact O-N 3.07Å; D78-W80 WeakPolarHBondContact OD2-CB 3.41Å; W80-A84 WeakPolarHBondContact O-CB 3.3Å; W80-A84 PolarHBondContact O-N 3.44Å; W80-R109 HydrophobicContact CB-CG 4.26Å; W80-R109 HydrophobicContact CD2-CB 4.31Å; W80-R109 HydrophobicContact CD2-CG 4.21Å; W80-R109 HydrophobicContact CG-CB 4.35Å; W80-R109 HydrophobicContact CG-CG 3.93Å; W80-R109 HydrophobicContact CZ2-CB 4.45Å; W80-R109 PolarHBondContact NE1-O 3.23Å; W80-F181 AromaticContact CD1-CE2 3.82Å; W80-F181 HydrophobicContact CG-CE2 4.4Å; W80-F181 AromaticContact NE1-CE2 3.81Å; W80-F181 AromaticContact NE1-CZ 3.81Å; W80-Y184 HydrophobicContact CB-CD1 4.29Å; W80-Y184 HydrophobicContact CB-CE1 3.77Å; W80-Y184 HydrophobicContact CE3-CD1 4.27Å; W80-Y184 HydrophobicContact CE3-CE1 4.1Å; W80-Y184 HydrophobicContact CG-CE1 4.46Å; W80-V185 HydrophobicContact CD2-CG2 3.91Å; W80-V185 HydrophobicContact CE3-CG2 4.12Å; W80-V185 HydrophobicContact CH2-CB 4.03Å; W80-V185 HydrophobicContact CH2-CG1 3.43Å; W80-V185 VanDerWaalsContact CH2-CG1 3.43Å; W80-V185 HydrophobicContact CH2-CG2 3.87Å; W80-V185 HydrophobicContact CZ2-CB 4.18Å; W80-V185 HydrophobicContact CZ2-CG1 3.68Å; W80-V185 HydrophobicContact CZ2-CG2 3.57Å; W80-V185 HydrophobicContact CZ3-CB 4.25Å; W80-V185 HydrophobicContact CZ3-CG1 4.06Å; W80-V185 HydrophobicContact CZ3-CG2 4.1Å; W80-K188 HydrophobicContact CE3-CG 4.3Å; W80-K188 HydrophobicContact CZ3-CB 3.99Å; W80-K188 HydrophobicContact CZ3-CG 4.23Å; W80-L193 HydrophobicContact CH2-CD2 4.2Å; W80-L193 HydrophobicContact CH2-CG 4.17Å; W80-L193 HydrophobicContact CZ2-CD1 4.47Å; W80-L193 HydrophobicContact CZ2-CD2 3.84Å; W80-L193 HydrophobicContact CZ2-CG 4.21Å
81	M	90.1	Very high	77.3	Confident	3 Å²	3	55 Å²	55	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-48.7	178.5	-67.4	-71.2	-174.4	0	0	110.3	F76 D78 L83 A84 I85 I99 L105 A108 R109 I112	F76-M81 HydrophobicContact CB-CB 3.58Å; F76-M81 HydrophobicContact CB-CG 4.07Å; F76-M81 HydrophobicContact CD2-CB 3.84Å; F76-M81 HydrophobicContact CG-CB 3.74Å; F76-M81 HydrophobicContact CG-CG 4.21Å; D78-M81 HydrophobicContact CB-CB 4.21Å; D78-M81 HydrophobicContact CB-CG 3.99Å; D78-M81 WeakPolarHBondContact O-CB 3.44Å; D78-M81 PolarHBondContact O-N 2.71Å; D78-M81 WeakPolarHBondContact OD2-CG 3.27Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 3.04Å; M81-A84 WeakPolarHBondContact O-CB 2.96Å; M81-A84 PolarHBondContact O-N 2.9Å; M81-A84 VanDerWaalsContact O-N 3.11Å; M81-I85 WeakPolarHBondContact O-CB 3.43Å; M81-I85 WeakPolarHBondContact O-CG1 3.4Å; M81-I85 PolarHBondContact O-N 2.95Å; M81-I99 HydrophobicContact CE-CG2 4.3Å; M81-L105 HydrophobicContact CE-CD1 4.16Å; M81-A108 HydrophobicContact CE-CB 3.36Å; M81-A108 WeakPolarHBondContact CE-O 3.49Å; M81-R109 HydrophobicContact CE-CB 4.48Å; M81-R109 HydrophobicContact CE-CG 3.94Å; M81-I112 HydrophobicContact CE-CG2 4.36Å; M81-I112 HydrophobicContact SD-CB 3.96Å; M81-I112 HydrophobicContact SD-CD1 3.7Å; M81-I112 HydrophobicContact SD-CG1 4.43Å; M81-I112 HydrophobicContact SD-CG2 3.55Å; M81-I112 VanDerWaalsContact SD-CG2 3.55Å
82	D	89	Confident	79.1	Confident	39 Å²	39	54.6 Å²	54.6	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-42.2	-176.7	-61.9	-32.4	0	0	0	111.4	F76 D78 I85 S86	F76-D82 PolarHBondContact N-OD1 3.4Å; D78-D82 PolarHBondContact O-N 2.96Å; D82-I85 PolarHBondContact O-N 2.93Å; D82-S86 PolarHBondContact O-N 3.4Å; D82-S86 PolarHBondContact O-OG 3.33Å; D82-S86 VanDerWaalsContact O-OG 3.09Å
83	L	92.6	Very high	80.9	Confident	21 Å²	21	58.4 Å²	58.4	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-39	175	-71.2	173.1	0	0	0	113.1	P79 M81 I85 S86 C87 R180 F181 Y184	P79-L83 WeakPolarHBondContact O-CB 3.48Å; P79-L83 WeakPolarHBondContact O-CG 3.36Å; P79-L83 PolarHBondContact O-N 3.15Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 3.04Å; L83-I85 VanDerWaalsContact C-N 3.29Å; L83-I85 PolarHBondContact O-N 2.94Å; L83-S86 WeakPolarHBondContact O-CB 3.37Å; L83-S86 PolarHBondContact O-N 3.4Å; L83-C87 PolarHBondContact O-N 2.91Å; L83-R180 HydrophobicContact CD2-CG 3.95Å; L83-F181 HydrophobicContact CB-CB 4.49Å; L83-F181 HydrophobicContact CB-CD2 3.88Å; L83-Y184 VanDerWaalsContact CD1-CB 3.47Å; L83-Y184 HydrophobicContact CD1-CD1 4.1Å; L83-Y184 HydrophobicContact CD1-CD2 3.9Å; L83-Y184 HydrophobicContact CD1-CG 3.54Å
84	A	92.9	Very high	82.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-36.6	174.8	0	0	0	0	0	111.5	W80 M81 C87 L88 I112 V116 F181	W80-A84 WeakPolarHBondContact O-CB 3.3Å; W80-A84 PolarHBondContact O-N 3.44Å; M81-A84 WeakPolarHBondContact O-CB 2.96Å; M81-A84 PolarHBondContact O-N 2.9Å; M81-A84 VanDerWaalsContact O-N 3.11Å; A84-C87 VanDerWaalsContact O-CB 3.28Å; A84-C87 WeakPolarHBondContact O-CB 3.33Å; A84-C87 PolarHBondContact O-N 3.48Å; A84-L88 WeakPolarHBondContact O-CG 3.15Å; A84-L88 PolarHBondContact O-N 2.89Å; A84-L88 VanDerWaalsContact O-N 3.11Å; A84-I112 HydrophobicContact CB-CB 4.46Å; A84-I112 HydrophobicContact CB-CD1 3.62Å; A84-I112 HydrophobicContact CB-CG1 3.76Å; A84-I112 HydrophobicContact CB-CG2 3.92Å; A84-V116 HydrophobicContact CB-CG2 3.69Å; A84-F181 HydrophobicContact CB-CD2 4.17Å; A84-F181 HydrophobicContact CB-CE2 3.61Å; A84-F181 HydrophobicContact CB-CZ 3.91Å
85	I	89.4	Confident	84.5	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-40.3	176	-65.4	-72.9	0	0	0	110.8	S72 F76 M81 D82 L83 C87 L88 G89 V91 I112	S72-I85 WeakPolarHBondContact OG-CG2 3.26Å; F76-I85 HydrophobicContact CD2-CG1 4.18Å; F76-I85 HydrophobicContact CE2-CD1 3.76Å; F76-I85 HydrophobicContact CE2-CG1 3.75Å; F76-I85 HydrophobicContact CZ-CD1 4.4Å; M81-I85 WeakPolarHBondContact O-CB 3.43Å; M81-I85 WeakPolarHBondContact O-CG1 3.4Å; M81-I85 PolarHBondContact O-N 2.95Å; D82-I85 PolarHBondContact O-N 2.93Å; L83-I85 VanDerWaalsContact C-N 3.29Å; L83-I85 PolarHBondContact O-N 2.94Å; I85-C87 VanDerWaalsContact C-N 3.3Å; I85-C87 PolarHBondContact O-N 3.43Å; I85-L88 PolarHBondContact O-N 2.88Å; I85-L88 VanDerWaalsContact O-N 3.16Å; I85-G89 PolarHBondContact O-N 3.28Å; I85-V91 HydrophobicContact CB-CG2 4.33Å; I85-V91 HydrophobicContact CD1-CB 4.26Å; I85-V91 HydrophobicContact CD1-CG1 3.84Å; I85-V91 HydrophobicContact CD1-CG2 3.37Å; I85-V91 HydrophobicContact CG1-CG2 4.34Å; I85-V91 HydrophobicContact CG2-CG2 3.51Å; I85-I112 HydrophobicContact CD1-CD1 3.75Å; I85-I112 HydrophobicContact CG1-CD1 3.9Å
86	S	88.8	Confident	85.6	Confident	37 Å²	37	49.2 Å²	49.2	26%	0.259	25%	0.249	S	C	.	.	H	α-helix	trans	-55.8	-46.5	170.7	-57.4	0	0	0	0	111.3	D82 L83 L88 G89	D82-S86 PolarHBondContact O-N 3.4Å; D82-S86 PolarHBondContact O-OG 3.33Å; D82-S86 VanDerWaalsContact O-OG 3.09Å; L83-S86 WeakPolarHBondContact O-CB 3.37Å; L83-S86 PolarHBondContact O-N 3.4Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.86Å; S86-G89 PolarHBondContact O-N 3.44Å; S86-G89 VanDerWaalsContact O-N 3.1Å
87	C	91.7	Very high	86.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-39.4	175.7	-82	0	0	0	0	113.5	L83 A84 I85 G89 V116 F119 Y120 E177 F181	L83-C87 PolarHBondContact O-N 2.91Å; A84-C87 VanDerWaalsContact O-CB 3.28Å; A84-C87 WeakPolarHBondContact O-CB 3.33Å; A84-C87 PolarHBondContact O-N 3.48Å; I85-C87 VanDerWaalsContact C-N 3.3Å; I85-C87 PolarHBondContact O-N 3.43Å; C87-G89 VanDerWaalsContact C-N 3.34Å; C87-V116 HydrophobicContact CB-CG1 3.97Å; C87-V116 HydrophobicContact CB-CG2 4.16Å; C87-F119 VanDerWaalsContact O-CE1 3.27Å; C87-F119 WeakPolarHBondContact O-CE1 3.44Å; C87-Y120 HydrophobicContact CB-CE2 3.93Å; C87-E177 PolarHBondContact SG-O 3.34Å; C87-E177 VanDerWaalsContact SG-O 3.36Å; C87-F181 VanDerWaalsContact SG-CB 3.57Å
88	L	89.7	Confident	86.9	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.052	23%	0.228	C	C	.	.	H	α-helix	trans	-75.9	-24.1	179.6	-65.5	172.3	0	0	0	112.4	A84 I85 S86 R90 I95 V116 F119	A84-L88 WeakPolarHBondContact O-CG 3.15Å; A84-L88 PolarHBondContact O-N 2.89Å; A84-L88 VanDerWaalsContact O-N 3.11Å; I85-L88 PolarHBondContact O-N 2.88Å; I85-L88 VanDerWaalsContact O-N 3.16Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.86Å; L88-R90 PolarHBondContact O-N 3.46Å; L88-I95 HydrophobicContact CD1-CD1 3.96Å; L88-I95 HydrophobicContact CD1-CG2 4.35Å; L88-V116 HydrophobicContact CD2-CG2 4.35Å; L88-V116 HydrophobicContact CG-CG2 4.21Å; L88-F119 HydrophobicContact CD2-CB 3.53Å; L88-F119 HydrophobicContact CD2-CD1 4.05Å; L88-F119 HydrophobicContact CD2-CD2 4.32Å; L88-F119 HydrophobicContact CD2-CG 3.71Å
89	G	83.4	Confident	86.9	Confident	17 Å²	17	44.5 Å²	44.5	18%	0.175	23%	0.229	C	C	.	.	S	Bend	trans	68.6	-48.3	-179.4	0	0	0	0	0	114.8	I85 S86 C87	I85-G89 PolarHBondContact O-N 3.28Å; S86-G89 PolarHBondContact O-N 3.44Å; S86-G89 VanDerWaalsContact O-N 3.1Å; C87-G89 VanDerWaalsContact C-N 3.34Å
90	R	76.5	Confident	86.7	Confident	174 Å²	174	46 Å²	46	66%	0.657	24%	0.241	S	C	*	.	S	Bend	trans	-132.8	119.1	172.8	-70.1	-176.2	-177.7	-178.6	5.4	110	L88	L88-R90 PolarHBondContact O-N 3.46Å
91	V	74.8	Confident	86.6	Confident	29 Å²	29	51.9 Å²	51.9	18%	0.176	27%	0.272	C	S	.	.			trans	-87.2	118.9	-175.4	-164.7	0	0	0	0	109.5	I85 I95 L96	I85-V91 HydrophobicContact CB-CG2 4.33Å; I85-V91 HydrophobicContact CD1-CB 4.26Å; I85-V91 HydrophobicContact CD1-CG1 3.84Å; I85-V91 HydrophobicContact CD1-CG2 3.37Å; I85-V91 HydrophobicContact CG1-CG2 4.34Å; I85-V91 HydrophobicContact CG2-CG2 3.51Å; V91-I95 HydrophobicContact CG1-CB 3.94Å; V91-I95 HydrophobicContact CG1-CG2 3.96Å; V91-L96 HydrophobicContact CG1-CD2 3.71Å; V91-L96 HydrophobicContact CG1-CG 3.82Å
92	K	81.9	Confident	86.6	Confident	130 Å²	130	54.7 Å²	54.7	57%	0.565	29%	0.285	S	S	*	.			trans	-72.8	144.1	173.7	-64.1	177.6	179.5	176.2	0	109.3	K94 I95 L96	K92-K94 HydrophobicContact CB-CG 3.93Å; K92-K94 PolarHBondContact O-N 3.49Å; K92-I95 WeakPolarHBondContact O-CB 3.42Å; K92-I95 PolarHBondContact O-N 3.39Å; K92-L96 PolarHBondContact O-N 3.44Å
93	T	81.2	Confident	86.5	Confident	103 Å²	103	57.9 Å²	57.9	63%	0.632	31%	0.308	S	S	*	.	H	α-helix	trans	-51.4	-36.1	178.4	-45.2	0	0	0	0	113.1	I95 L96 L97	T93-I95 PolarHBondContact O-N 3.26Å; T93-L96 PolarHBondContact O-N 3.49Å; T93-L97 HydrophobicContact CG2-CD1 4.31Å; T93-L97 HydrophobicContact CG2-CG 4.48Å; T93-L97 WeakPolarHBondContact O-CG 3.37Å; T93-L97 PolarHBondContact O-N 3.08Å
94	K	87.4	Confident	86.4	Confident	132 Å²	132	60.3 Å²	60.3	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-58.3	-33.2	175.9	69	177.3	-173.7	169.8	0	113.9	K92 G98	K92-K94 HydrophobicContact CB-CG 3.93Å; K92-K94 PolarHBondContact O-N 3.49Å; K94-G98 PolarHBondContact O-N 2.85Å
95	I	86.4	Confident	86.2	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.062	34%	0.342	C	S	.	.	H	α-helix	trans	-73.7	-44	179	-62.2	177.8	0	0	0	108.9	L88 V91 K92 T93 L97 G98 I99 Y111 Q115	L88-I95 HydrophobicContact CD1-CD1 3.96Å; L88-I95 HydrophobicContact CD1-CG2 4.35Å; V91-I95 HydrophobicContact CG1-CB 3.94Å; V91-I95 HydrophobicContact CG1-CG2 3.96Å; K92-I95 WeakPolarHBondContact O-CB 3.42Å; K92-I95 PolarHBondContact O-N 3.39Å; T93-I95 PolarHBondContact O-N 3.26Å; I95-L97 PolarHBondContact O-N 2.94Å; I95-G98 PolarHBondContact O-N 3.01Å; I95-G98 VanDerWaalsContact O-N 3.15Å; I95-I99 HydrophobicContact CG2-CD1 4.01Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.28Å; I95-I99 PolarHBondContact O-N 3.1Å; I95-Y111 HydrophobicContact CG2-CE1 4.28Å; I95-Q115 HydrophobicContact CD1-CB 4.45Å; I95-Q115 HydrophobicContact CG1-CG 4.3Å; I95-Q115 HydrophobicContact CG2-CG 4.19Å
96	L	85.5	Confident	86.2	Confident	30 Å²	30	67.3 Å²	67.3	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-45.8	176.2	-62.3	175.7	0	0	0	111.9	Y74 F76 V91 K92 T93 G98 I99 S100	Y74-L96 HydrophobicContact CD2-CD1 4.22Å; Y74-L96 HydrophobicContact CD2-CD2 4.37Å; Y74-L96 HydrophobicContact CE1-CD1 4.01Å; Y74-L96 HydrophobicContact CE2-CD1 3.64Å; Y74-L96 HydrophobicContact CG-CD2 4.35Å; F76-L96 HydrophobicContact CZ-CD2 3.78Å; V91-L96 HydrophobicContact CG1-CD2 3.71Å; V91-L96 HydrophobicContact CG1-CG 3.82Å; K92-L96 PolarHBondContact O-N 3.44Å; T93-L96 PolarHBondContact O-N 3.49Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.25Å; L96-I99 PolarHBondContact O-N 3.45Å; L96-S100 PolarHBondContact O-N 2.94Å
97	L	86.4	Confident	86.3	Confident	99 Å²	99	70 Å²	70	52%	0.518	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-41.7	174.3	-70	172.5	0	0	0	111.5	T93 I95 I99 S100 N101	T93-L97 HydrophobicContact CG2-CD1 4.31Å; T93-L97 HydrophobicContact CG2-CG 4.48Å; T93-L97 WeakPolarHBondContact O-CG 3.37Å; T93-L97 PolarHBondContact O-N 3.08Å; I95-L97 PolarHBondContact O-N 2.94Å; L97-I99 VanDerWaalsContact C-N 3.31Å; L97-I99 PolarHBondContact O-N 3.05Å; L97-S100 PolarHBondContact O-N 3.48Å; L97-N101 WeakPolarHBondContact O-CB 3.25Å; L97-N101 PolarHBondContact O-N 2.61Å; L97-N101 PolarHBondContact O-ND2 2.71Å
98	G	87.6	Confident	86.3	Confident	10 Å²	10	70.3 Å²	70.3	10%	0.103	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-37.8	177.1	0	0	0	0	0	113.4	K94 I95 L96 Q102	K94-G98 PolarHBondContact O-N 2.85Å; I95-G98 PolarHBondContact O-N 3.01Å; I95-G98 VanDerWaalsContact O-N 3.15Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.25Å; G98-Q102 WeakPolarHBondContact O-CG 3.47Å; G98-Q102 PolarHBondContact O-NE2 2.78Å
99	I	87.9	Confident	86.4	Confident	15 Å²	15	71 Å²	71	8%	0.077	38%	0.375	C	S	.	.	H	α-helix	trans	-65.8	-50.4	173	-67.1	163.3	0	0	0	110.2	F76 M81 I95 L96 L97 N101 Q102 A108 Y111 I112	F76-I99 HydrophobicContact CE1-CD1 4.28Å; F76-I99 HydrophobicContact CE1-CG2 3.97Å; F76-I99 HydrophobicContact CZ-CD1 3.97Å; M81-I99 HydrophobicContact CE-CG2 4.3Å; I95-I99 HydrophobicContact CG2-CD1 4.01Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.28Å; I95-I99 PolarHBondContact O-N 3.1Å; L96-I99 PolarHBondContact O-N 3.45Å; L97-I99 VanDerWaalsContact C-N 3.31Å; L97-I99 PolarHBondContact O-N 3.05Å; I99-N101 PolarHBondContact O-N 3.29Å; I99-Q102 WeakPolarHBondContact O-CB 3.29Å; I99-Q102 PolarHBondContact O-N 3.42Å; I99-Q102 VanDerWaalsContact O-N 3.11Å; I99-A108 HydrophobicContact CG2-CB 4.25Å; I99-Y111 HydrophobicContact CG1-CD1 3.81Å; I99-Y111 HydrophobicContact CG1-CE1 4.06Å; I99-I112 HydrophobicContact CD1-CD1 3.8Å; I99-I112 HydrophobicContact CD1-CG1 4.27Å
100	S	85.1	Confident	86.9	Confident	98 Å²	98	74.9 Å²	74.9	69%	0.685	39%	0.387	S	S	*	.	H	α-helix	trans	-63.8	-25	-178.3	-173.7	0	0	0	0	113.8	L96 L97 Q102	L96-S100 PolarHBondContact O-N 2.94Å; L97-S100 PolarHBondContact O-N 3.48Å; S100-Q102 VanDerWaalsContact C-N 3.31Å
101	N	89.7	Confident	87.7	Confident	124 Å²	124	69 Å²	69	66%	0.663	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.3	178.9	-70.4	-15.7	0	0	0	113.2	L97 I99	L97-N101 WeakPolarHBondContact O-CB 3.25Å; L97-N101 PolarHBondContact O-N 2.61Å; L97-N101 PolarHBondContact O-ND2 2.71Å; I99-N101 PolarHBondContact O-N 3.29Å
102	Q	90.5	Very high	88.6	Confident	62 Å²	62	67.6 Å²	67.6	29%	0.29	36%	0.357	S	S	.	.	S	Bend	trans	-78.1	143.9	175.6	-60.7	-47.4	-55.1	0	0	110.8	G98 I99 S100 D104 H107 A108 Y111	G98-Q102 WeakPolarHBondContact O-CG 3.47Å; G98-Q102 PolarHBondContact O-NE2 2.78Å; I99-Q102 WeakPolarHBondContact O-CB 3.29Å; I99-Q102 PolarHBondContact O-N 3.42Å; I99-Q102 VanDerWaalsContact O-N 3.11Å; S100-Q102 VanDerWaalsContact C-N 3.31Å; Q102-D104 VanDerWaalsContact C-N 3.32Å; Q102-D104 PolarHBondContact O-N 2.67Å; Q102-H107 HydrophobicContact CB-CB 3.93Å; Q102-H107 HydrophobicContact CG-CB 4.37Å; Q102-A108 HydrophobicContact CB-CB 3.96Å; Q102-A108 HydrophobicContact CG-CB 4.2Å; Q102-Y111 HydrophobicContact CG-CG 4.45Å
103	P	87.4	Confident	89.2	Confident	106 Å²	106	61.7 Å²	61.7	69%	0.688	33%	0.331	S	S	*	.	S	Bend	trans	-69.1	-28.8	-174.5	27.3	-36.2	0	0	0	113.5	H107	P103-H107 HydrophobicContact CG-CB 4.01Å
104	D	89.3	Confident	89.9	Confident	72 Å²	72	59.5 Å²	59.5	39%	0.385	32%	0.316	S	S	.	.	S	Bend	trans	-150.5	175.2	-178.3	62.7	36	0	0	0	111.3	Q102 P106 H107 A108	Q102-D104 VanDerWaalsContact C-N 3.32Å; Q102-D104 PolarHBondContact O-N 2.67Å; D104-P106 WeakPolarHBondContact OD1-CD 3.24Å; D104-H107 PolarHBondContact O-N 3.42Å; D104-H107 WeakPolarHBondContact OD1-CB 3.46Å; D104-H107 IonicContact OD1-CE1 2.89Å; D104-H107 IonicContact OD1-CG 3.79Å; D104-H107 PolarHBondContact OD1-N 3.24Å; D104-H107 IonicContact OD1-ND1 2.77Å; D104-H107 PolarHBondContact OD1-ND1 2.72Å; D104-H107 IonicContact OD2-CE1 3.86Å; D104-H107 PolarHBondContact OD2-CE1 3.27Å; D104-H107 IonicContact OD2-ND1 3.91Å; D104-H107 PolarHBondContact OD2-ND1 2.76Å; D104-A108 WeakPolarHBondContact O-CB 3.25Å; D104-A108 PolarHBondContact O-N 2.97Å
105	L	88.9	Confident	90.2	Very high	83 Å²	83	54.4 Å²	54.4	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-44	-179.9	-178.5	65.9	0	0	0	113.4	M81 H107 A108 R109	M81-L105 HydrophobicContact CE-CD1 4.16Å; L105-H107 PolarHBondContact O-N 3.12Å; L105-A108 WeakPolarHBondContact O-CB 3.38Å; L105-A108 PolarHBondContact O-N 2.88Å; L105-R109 HydrophobicContact CD1-CG 4.34Å; L105-R109 HydrophobicContact CG-CG 4.43Å; L105-R109 WeakPolarHBondContact O-CG 3.38Å; L105-R109 PolarHBondContact O-N 2.93Å
106	P	89.9	Confident	90.7	Very high	71 Å²	71	53.9 Å²	53.9	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-54.6	-45.5	173.2	-29.6	34.9	0	0	0	114.4	D104 A108 R109 K110	D104-P106 WeakPolarHBondContact OD1-CD 3.24Å; P106-A108 VanDerWaalsContact C-N 3.33Å; P106-A108 PolarHBondContact O-N 2.77Å; P106-R109 PolarHBondContact O-N 3.03Å; P106-K110 PolarHBondContact O-N 3.18Å
107	H	91.2	Very high	91.1	Very high	92 Å²	92	54.5 Å²	54.5	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-39	176.9	-71.3	86.6	0	0	0	111.1	Q102 P103 D104 L105 K110 Y111	Q102-H107 HydrophobicContact CB-CB 3.93Å; Q102-H107 HydrophobicContact CG-CB 4.37Å; P103-H107 HydrophobicContact CG-CB 4.01Å; D104-H107 PolarHBondContact O-N 3.42Å; D104-H107 WeakPolarHBondContact OD1-CB 3.46Å; D104-H107 IonicContact OD1-CE1 2.89Å; D104-H107 IonicContact OD1-CG 3.79Å; D104-H107 PolarHBondContact OD1-N 3.24Å; D104-H107 IonicContact OD1-ND1 2.77Å; D104-H107 PolarHBondContact OD1-ND1 2.72Å; D104-H107 IonicContact OD2-CE1 3.86Å; D104-H107 PolarHBondContact OD2-CE1 3.27Å; D104-H107 IonicContact OD2-ND1 3.91Å; D104-H107 PolarHBondContact OD2-ND1 2.76Å; L105-H107 PolarHBondContact O-N 3.12Å; H107-K110 PolarHBondContact O-N 3.42Å; H107-Y111 WeakPolarHBondContact O-CB 3.49Å; H107-Y111 PolarHBondContact O-N 3.33Å
108	A	90.9	Very high	91.5	Very high	7 Å²	7	56.3 Å²	56.3	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-45.7	172.7	0	0	0	0	0	112.3	M81 I99 Q102 D104 L105 P106 Y111 I112	M81-A108 HydrophobicContact CE-CB 3.36Å; M81-A108 WeakPolarHBondContact CE-O 3.49Å; I99-A108 HydrophobicContact CG2-CB 4.25Å; Q102-A108 HydrophobicContact CB-CB 3.96Å; Q102-A108 HydrophobicContact CG-CB 4.2Å; D104-A108 WeakPolarHBondContact O-CB 3.25Å; D104-A108 PolarHBondContact O-N 2.97Å; L105-A108 WeakPolarHBondContact O-CB 3.38Å; L105-A108 PolarHBondContact O-N 2.88Å; P106-A108 VanDerWaalsContact C-N 3.33Å; P106-A108 PolarHBondContact O-N 2.77Å; A108-Y111 WeakPolarHBondContact O-CB 3.38Å; A108-Y111 PolarHBondContact O-N 3.37Å; A108-I112 PolarHBondContact O-N 3.12Å
109	R	92.9	Very high	91.8	Very high	25 Å²	25	58.6 Å²	58.6	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-40.2	178.3	-75.8	178.1	178	164.9	-6.9	112.2	D78 W80 M81 L105 P106 I112 Y113 D191	D78-R109 IonicContact OD1-CZ 3.59Å; D78-R109 IonicContact OD1-NE 3.53Å; D78-R109 PolarHBondContact OD1-NE 3.12Å; D78-R109 IonicContact OD1-NH2 3.67Å; D78-R109 PolarHBondContact OD1-NH2 2.73Å; D78-R109 IonicContact OD2-CZ 3.79Å; D78-R109 IonicContact OD2-NE 3.14Å; D78-R109 PolarHBondContact OD2-NE 3.22Å; D78-R109 IonicContact OD2-NH2 2.75Å; W80-R109 HydrophobicContact CB-CG 4.26Å; W80-R109 HydrophobicContact CD2-CB 4.31Å; W80-R109 HydrophobicContact CD2-CG 4.21Å; W80-R109 HydrophobicContact CG-CB 4.35Å; W80-R109 HydrophobicContact CG-CG 3.93Å; W80-R109 HydrophobicContact CZ2-CB 4.45Å; W80-R109 PolarHBondContact NE1-O 3.23Å; M81-R109 HydrophobicContact CE-CB 4.48Å; M81-R109 HydrophobicContact CE-CG 3.94Å; L105-R109 HydrophobicContact CD1-CG 4.34Å; L105-R109 HydrophobicContact CG-CG 4.43Å; L105-R109 WeakPolarHBondContact O-CG 3.38Å; L105-R109 PolarHBondContact O-N 2.93Å; P106-R109 PolarHBondContact O-N 3.03Å; R109-I112 WeakPolarHBondContact O-CG2 3.19Å; R109-Y113 VanDerWaalsContact O-CB 3.28Å; R109-Y113 WeakPolarHBondContact O-CB 3.37Å; R109-Y113 PolarHBondContact O-N 2.91Å; R109-D191 IonicContact CZ-OD2 2.93Å; R109-D191 IonicContact NH1-OD1 3.37Å; R109-D191 PolarHBondContact NH1-OD1 2.97Å; R109-D191 IonicContact NH1-OD2 2.68Å; R109-D191 PolarHBondContact NH1-OD2 2.8Å
110	K	93.3	Very high	92	Very high	98 Å²	98	57.9 Å²	57.9	43%	0.426	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-44.3	173.5	-175	172.6	-176.9	164.6	0	111.6	P106 H107 I112 Y113 D114 L193	P106-K110 PolarHBondContact O-N 3.18Å; H107-K110 PolarHBondContact O-N 3.42Å; K110-I112 PolarHBondContact O-N 3.21Å; K110-Y113 WeakPolarHBondContact O-CB 3.37Å; K110-Y113 PolarHBondContact O-N 3.15Å; K110-D114 PolarHBondContact O-N 2.91Å; K110-L193 HydrophobicContact CB-CD2 4.25Å; K110-L193 HydrophobicContact CG-CD2 4.33Å; K110-L193 PolarHBondContact NZ-O 3.38Å
111	Y	94.1	Very high	92.4	Very high	50 Å²	50	57.1 Å²	57.1	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-48.7	176.8	174.4	-92.3	0	0	0	111.9	I95 I99 Q102 H107 A108 Y113 D114 Q115	I95-Y111 HydrophobicContact CG2-CE1 4.28Å; I99-Y111 HydrophobicContact CG1-CD1 3.81Å; I99-Y111 HydrophobicContact CG1-CE1 4.06Å; Q102-Y111 HydrophobicContact CG-CG 4.45Å; H107-Y111 WeakPolarHBondContact O-CB 3.49Å; H107-Y111 PolarHBondContact O-N 3.33Å; A108-Y111 WeakPolarHBondContact O-CB 3.38Å; A108-Y111 PolarHBondContact O-N 3.37Å; Y111-Y113 VanDerWaalsContact C-N 3.34Å; Y111-D114 PolarHBondContact O-N 2.94Å; Y111-Q115 HydrophobicContact CD1-CG 4.2Å; Y111-Q115 HydrophobicContact CE1-CG 3.68Å; Y111-Q115 WeakPolarHBondContact O-CG 3.35Å; Y111-Q115 PolarHBondContact O-N 3.49Å; Y111-Q115 VanDerWaalsContact O-N 3.08Å
112	I	93.4	Very high	92.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-35.3	-178.9	-156.6	171.8	0	0	0	111.7	M81 A84 I85 I99 A108 R109 K110 D114 Q115 V116	M81-I112 HydrophobicContact CE-CG2 4.36Å; M81-I112 HydrophobicContact SD-CB 3.96Å; M81-I112 HydrophobicContact SD-CD1 3.7Å; M81-I112 HydrophobicContact SD-CG1 4.43Å; M81-I112 HydrophobicContact SD-CG2 3.55Å; M81-I112 VanDerWaalsContact SD-CG2 3.55Å; A84-I112 HydrophobicContact CB-CB 4.46Å; A84-I112 HydrophobicContact CB-CD1 3.62Å; A84-I112 HydrophobicContact CB-CG1 3.76Å; A84-I112 HydrophobicContact CB-CG2 3.92Å; I85-I112 HydrophobicContact CD1-CD1 3.75Å; I85-I112 HydrophobicContact CG1-CD1 3.9Å; I99-I112 HydrophobicContact CD1-CD1 3.8Å; I99-I112 HydrophobicContact CD1-CG1 4.27Å; A108-I112 PolarHBondContact O-N 3.12Å; R109-I112 WeakPolarHBondContact O-CG2 3.19Å; K110-I112 PolarHBondContact O-N 3.21Å; I112-D114 VanDerWaalsContact C-N 3.33Å; I112-D114 PolarHBondContact O-N 3.26Å; I112-Q115 WeakPolarHBondContact O-CB 3.28Å; I112-Q115 PolarHBondContact O-N 3.42Å; I112-Q115 VanDerWaalsContact O-N 3.1Å; I112-V116 WeakPolarHBondContact O-CG2 3.22Å; I112-V116 PolarHBondContact O-N 2.91Å
113	Y	95.3	Very high	92.4	Very high	6 Å²	6	58.8 Å²	58.8	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-48.1	172.8	175.7	-90	0	0	0	111.1	R109 K110 Y111 Q115 V116 K117 F181 V185 L193 I202 V203	R109-Y113 VanDerWaalsContact O-CB 3.28Å; R109-Y113 WeakPolarHBondContact O-CB 3.37Å; R109-Y113 PolarHBondContact O-N 2.91Å; K110-Y113 WeakPolarHBondContact O-CB 3.37Å; K110-Y113 PolarHBondContact O-N 3.15Å; Y111-Y113 VanDerWaalsContact C-N 3.34Å; Y113-Q115 VanDerWaalsContact C-N 3.28Å; Y113-Q115 PolarHBondContact O-N 3.11Å; Y113-V116 PolarHBondContact O-N 3.22Å; Y113-K117 PolarHBondContact O-N 3.19Å; Y113-F181 AromaticContact CD2-CE1 3.79Å; Y113-F181 HydrophobicContact CD2-CE1 3.79Å; Y113-F181 AromaticContact CD2-CZ 3.94Å; Y113-F181 HydrophobicContact CD2-CZ 3.94Å; Y113-F181 HydrophobicContact CE2-CE1 4.31Å; Y113-V185 HydrophobicContact CD2-CG1 4.46Å; Y113-V185 HydrophobicContact CE2-CG1 4.36Å; Y113-L193 HydrophobicContact CD1-CD1 4Å; Y113-L193 HydrophobicContact CD1-CD2 4.33Å; Y113-L193 HydrophobicContact CD2-CD1 3.84Å; Y113-L193 HydrophobicContact CE1-CD1 3.93Å; Y113-L193 HydrophobicContact CE2-CD1 3.78Å; Y113-L193 HydrophobicContact CG-CD1 3.96Å; Y113-L193 HydrophobicContact CG-CD2 4.11Å; Y113-I202 HydrophobicContact CE1-CG2 4.38Å; Y113-V203 HydrophobicContact CE2-CG2 4.02Å
114	D	94.9	Very high	92.4	Very high	58 Å²	58	53.9 Å²	53.9	31%	0.31	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-33.4	176.3	-73.9	-24.5	0	0	0	112.4	K110 Y111 I112 R118	K110-D114 PolarHBondContact O-N 2.91Å; Y111-D114 PolarHBondContact O-N 2.94Å; I112-D114 VanDerWaalsContact C-N 3.33Å; I112-D114 PolarHBondContact O-N 3.26Å; D114-R118 WeakPolarHBondContact O-CB 3.38Å; D114-R118 VanDerWaalsContact O-CG 3.24Å; D114-R118 WeakPolarHBondContact O-CG 3.39Å; D114-R118 PolarHBondContact O-N 3.11Å
115	Q	94.5	Very high	92.2	Very high	24 Å²	24	54.4 Å²	54.4	11%	0.112	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-41.9	174.3	-62.8	-43	-61.9	0	0	112.4	I95 Y111 I112 Y113 R118 F119	I95-Q115 HydrophobicContact CD1-CB 4.45Å; I95-Q115 HydrophobicContact CG1-CG 4.3Å; I95-Q115 HydrophobicContact CG2-CG 4.19Å; Y111-Q115 HydrophobicContact CD1-CG 4.2Å; Y111-Q115 HydrophobicContact CE1-CG 3.68Å; Y111-Q115 WeakPolarHBondContact O-CG 3.35Å; Y111-Q115 PolarHBondContact O-N 3.49Å; Y111-Q115 VanDerWaalsContact O-N 3.08Å; I112-Q115 WeakPolarHBondContact O-CB 3.28Å; I112-Q115 PolarHBondContact O-N 3.42Å; I112-Q115 VanDerWaalsContact O-N 3.1Å; Y113-Q115 VanDerWaalsContact C-N 3.28Å; Y113-Q115 PolarHBondContact O-N 3.11Å; Q115-R118 PolarHBondContact O-N 3.43Å; Q115-F119 VanDerWaalsContact O-CB 3.28Å; Q115-F119 WeakPolarHBondContact O-CB 3.46Å; Q115-F119 PolarHBondContact O-N 3Å
116	V	95.2	Very high	91.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-48.6	175.5	172.4	0	0	0	0	109.8	A84 C87 L88 I112 Y113 R118 F119 Y120 L178 F181	A84-V116 HydrophobicContact CB-CG2 3.69Å; C87-V116 HydrophobicContact CB-CG1 3.97Å; C87-V116 HydrophobicContact CB-CG2 4.16Å; L88-V116 HydrophobicContact CD2-CG2 4.35Å; L88-V116 HydrophobicContact CG-CG2 4.21Å; I112-V116 WeakPolarHBondContact O-CG2 3.22Å; I112-V116 PolarHBondContact O-N 2.91Å; Y113-V116 PolarHBondContact O-N 3.22Å; V116-R118 PolarHBondContact O-N 3.41Å; V116-F119 WeakPolarHBondContact O-CB 3.33Å; V116-F119 PolarHBondContact O-N 3.37Å; V116-Y120 HydrophobicContact CG1-CD2 3.81Å; V116-Y120 HydrophobicContact CG1-CE2 4.01Å; V116-Y120 WeakPolarHBondContact O-CD2 3.13Å; V116-Y120 PolarHBondContact O-N 3.5Å; V116-L178 HydrophobicContact CG1-CD1 4.21Å; V116-F181 HydrophobicContact CB-CE1 4.08Å; V116-F181 HydrophobicContact CG1-CD1 3.94Å; V116-F181 HydrophobicContact CG1-CE1 3.92Å; V116-F181 HydrophobicContact CG2-CE1 4.16Å; V116-F181 HydrophobicContact CG2-CZ 4.43Å
117	K	95	Very high	91.7	Very high	44 Å²	44	59.1 Å²	59.1	19%	0.191	28%	0.279	C	S	.	.	H	α-helix	trans	-54.4	-54.3	176.5	-179.9	-179	179.1	178.8	0	111.5	Y113 F119 Y120 E121 D206 L207 I210	Y113-K117 PolarHBondContact O-N 3.19Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.27Å; K117-Y120 PolarHBondContact O-N 3.45Å; K117-E121 WeakPolarHBondContact CE-OE1 3.3Å; K117-E121 HydrophobicContact CG-CG 4.4Å; K117-E121 WeakPolarHBondContact O-CB 3.48Å; K117-E121 WeakPolarHBondContact O-CG 3.38Å; K117-E121 PolarHBondContact O-N 3.1Å; K117-D206 HydrophobicContact CD-CB 4.22Å; K117-D206 VanDerWaalsContact NZ-CG 3.27Å; K117-D206 IonicContact NZ-OD1 3.83Å; K117-D206 IonicContact NZ-OD2 3.42Å; K117-D206 PolarHBondContact NZ-OD2 3.31Å; K117-L207 HydrophobicContact CB-CD2 4.24Å; K117-L207 HydrophobicContact CG-CD2 4.21Å; K117-I210 HydrophobicContact CG-CD1 4.39Å
118	R	94.2	Very high	91.7	Very high	137 Å²	137	58.1 Å²	58.1	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-39.5	179.4	-73.4	173.8	-176.2	-171.7	3.3	112.8	D114 Q115 V116 Q122	D114-R118 WeakPolarHBondContact O-CB 3.38Å; D114-R118 VanDerWaalsContact O-CG 3.24Å; D114-R118 WeakPolarHBondContact O-CG 3.39Å; D114-R118 PolarHBondContact O-N 3.11Å; Q115-R118 PolarHBondContact O-N 3.43Å; V116-R118 PolarHBondContact O-N 3.41Å; R118-Q122 VanDerWaalsContact O-CG 3.28Å; R118-Q122 WeakPolarHBondContact O-CG 3.23Å; R118-Q122 PolarHBondContact O-N 2.83Å; R118-Q122 VanDerWaalsContact O-N 3.07Å
119	F	93.5	Very high	91.7	Very high	58 Å²	58	57.9 Å²	57.9	25%	0.254	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-48.5	177.6	169.4	-103.3	0	0	0	110.9	C87 L88 Q115 V116 K117 Q122 L123	C87-F119 VanDerWaalsContact O-CE1 3.27Å; C87-F119 WeakPolarHBondContact O-CE1 3.44Å; L88-F119 HydrophobicContact CD2-CB 3.53Å; L88-F119 HydrophobicContact CD2-CD1 4.05Å; L88-F119 HydrophobicContact CD2-CD2 4.32Å; L88-F119 HydrophobicContact CD2-CG 3.71Å; Q115-F119 VanDerWaalsContact O-CB 3.28Å; Q115-F119 WeakPolarHBondContact O-CB 3.46Å; Q115-F119 PolarHBondContact O-N 3Å; V116-F119 WeakPolarHBondContact O-CB 3.33Å; V116-F119 PolarHBondContact O-N 3.37Å; K117-F119 VanDerWaalsContact C-N 3.31Å; K117-F119 PolarHBondContact O-N 3.27Å; F119-Q122 PolarHBondContact O-N 2.94Å; F119-L123 HydrophobicContact CE1-CD2 4.23Å; F119-L123 HydrophobicContact CZ-CD2 4.4Å; F119-L123 WeakPolarHBondContact O-CB 3.12Å; F119-L123 PolarHBondContact O-N 3.21Å
120	Y	93.6	Very high	91.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.5	-34.6	179.6	-88.2	-80.5	0	0	0	113.3	C87 V116 K117 Q122 L123 T124 L129 R174 L178 I210	C87-Y120 HydrophobicContact CB-CE2 3.93Å; V116-Y120 HydrophobicContact CG1-CD2 3.81Å; V116-Y120 HydrophobicContact CG1-CE2 4.01Å; V116-Y120 WeakPolarHBondContact O-CD2 3.13Å; V116-Y120 PolarHBondContact O-N 3.5Å; K117-Y120 PolarHBondContact O-N 3.45Å; Y120-Q122 VanDerWaalsContact C-N 3.29Å; Y120-Q122 PolarHBondContact O-N 3.37Å; Y120-L123 HydrophobicContact CD1-CD2 4.21Å; Y120-L123 HydrophobicContact CE1-CD2 4.25Å; Y120-L123 PolarHBondContact O-N 3.36Å; Y120-T124 WeakPolarHBondContact O-CB 3.23Å; Y120-T124 WeakPolarHBondContact O-CG2 3.44Å; Y120-T124 PolarHBondContact O-N 3.43Å; Y120-T124 PolarHBondContact O-OG1 3.33Å; Y120-L129 HydrophobicContact CD1-CD1 4.07Å; Y120-L129 HydrophobicContact CE1-CD1 4.06Å; Y120-L129 HydrophobicContact CE1-CD2 4.49Å; Y120-R174 HydrophobicContact CE1-CB 4.29Å; Y120-R174 PolarHBondContact OH-O 2.91Å; Y120-R174 VanDerWaalsContact OH-O 3.05Å; Y120-L178 HydrophobicContact CD1-CD2 4.1Å; Y120-L178 HydrophobicContact CD2-CD1 3.88Å; Y120-L178 HydrophobicContact CE1-CB 4.15Å; Y120-L178 HydrophobicContact CE1-CD2 4.21Å; Y120-L178 HydrophobicContact CE2-CB 4.24Å; Y120-L178 HydrophobicContact CE2-CD1 3.83Å; Y120-L178 HydrophobicContact CE2-CG 4.47Å; Y120-L178 HydrophobicContact CG-CD1 4.39Å; Y120-L178 HydrophobicContact CG-CD2 4.29Å; Y120-I210 HydrophobicContact CD1-CG2 4.15Å; Y120-I210 HydrophobicContact CG-CG2 4.23Å
121	E	92.6	Very high	91.6	Very high	82 Å²	82	53 Å²	53	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-40.1	171.8	-75.3	172.5	164.1	0	0	111.6	K117 S125 I210	K117-E121 WeakPolarHBondContact CE-OE1 3.3Å; K117-E121 HydrophobicContact CG-CG 4.4Å; K117-E121 WeakPolarHBondContact O-CB 3.48Å; K117-E121 WeakPolarHBondContact O-CG 3.38Å; K117-E121 PolarHBondContact O-N 3.1Å; E121-S125 PolarHBondContact O-N 3.48Å; E121-I210 HydrophobicContact CG-CD1 3.75Å; E121-I210 HydrophobicContact CG-CG1 3.91Å
122	Q	91	Very high	91.3	Very high	134 Å²	134	53.6 Å²	53.6	63%	0.626	26%	0.262	S	S	*	.	H	α-helix	trans	-69.9	-45.6	175.3	-71.9	173.2	2.9	0	0	111.7	R118 F119 Y120 T124 S125	R118-Q122 VanDerWaalsContact O-CG 3.28Å; R118-Q122 WeakPolarHBondContact O-CG 3.23Å; R118-Q122 PolarHBondContact O-N 2.83Å; R118-Q122 VanDerWaalsContact O-N 3.07Å; F119-Q122 PolarHBondContact O-N 2.94Å; Y120-Q122 VanDerWaalsContact C-N 3.29Å; Y120-Q122 PolarHBondContact O-N 3.37Å; Q122-T124 VanDerWaalsContact C-N 3.28Å; Q122-T124 PolarHBondContact O-N 2.89Å; Q122-S125 WeakPolarHBondContact O-CB 3.4Å; Q122-S125 PolarHBondContact O-N 2.96Å; Q122-S125 PolarHBondContact O-OG 3.45Å
123	L	88.8	Confident	91	Very high	86 Å²	86	57.9 Å²	57.9	45%	0.45	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-37.9	179.8	-175.9	66.3	0	0	0	112	F119 Y120	F119-L123 HydrophobicContact CE1-CD2 4.23Å; F119-L123 HydrophobicContact CZ-CD2 4.4Å; F119-L123 WeakPolarHBondContact O-CB 3.12Å; F119-L123 PolarHBondContact O-N 3.21Å; Y120-L123 HydrophobicContact CD1-CD2 4.21Å; Y120-L123 HydrophobicContact CE1-CD2 4.25Å; Y120-L123 PolarHBondContact O-N 3.36Å
124	T	88.6	Confident	90.8	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.025	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16.4	-175.7	61.2	0	0	0	0	113.6	Y120 Q122 E126 E127 R128 L129 I210	Y120-T124 WeakPolarHBondContact O-CB 3.23Å; Y120-T124 WeakPolarHBondContact O-CG2 3.44Å; Y120-T124 PolarHBondContact O-N 3.43Å; Y120-T124 PolarHBondContact O-OG1 3.33Å; Q122-T124 VanDerWaalsContact C-N 3.28Å; Q122-T124 PolarHBondContact O-N 2.89Å; T124-E126 VanDerWaalsContact C-N 3.34Å; T124-E126 PolarHBondContact O-N 2.89Å; T124-E127 CarbonylContact C-O 3.58Å; T124-E127 WeakPolarHBondContact CA-O 3.45Å; T124-E127 WeakPolarHBondContact CB-O 3.21Å; T124-R128 PolarHBondContact O-NH1 3.4Å; T124-L129 HydrophobicContact CG2-CD2 4.08Å; T124-L129 HydrophobicContact CG2-CG 3.83Å; T124-I210 HydrophobicContact CG2-CG2 3.92Å
125	S	85	Confident	90.6	Very high	83 Å²	83	56.3 Å²	56.3	58%	0.58	27%	0.274	S	S	*	.	S	Bend	trans	-58.3	-43.3	-177.5	50.1	0	0	0	0	112.6	E121 Q122 R128	E121-S125 PolarHBondContact O-N 3.48Å; Q122-S125 WeakPolarHBondContact O-CB 3.4Å; Q122-S125 PolarHBondContact O-N 2.96Å; Q122-S125 PolarHBondContact O-OG 3.45Å; S125-R128 PolarHBondContact O-NH1 3.42Å
126	E	82.5	Confident	90.4	Very high	190 Å²	190	58 Å²	58	89%	0.888	29%	0.287	S	S	*	.	S	Bend	trans	-83.4	-52.3	178.2	-62.2	-177.3	176.9	0	0	112.7	T124	T124-E126 VanDerWaalsContact C-N 3.34Å; T124-E126 PolarHBondContact O-N 2.89Å
127	E	85.5	Confident	90.2	Very high	63 Å²	63	58 Å²	58	29%	0.294	29%	0.287	S	S	.	.	S	Bend	trans	-131.3	137.1	-176.4	-172.3	169.4	-155.3	0	0	110.4	T124 F171	T124-E127 CarbonylContact C-O 3.58Å; T124-E127 WeakPolarHBondContact CA-O 3.45Å; T124-E127 WeakPolarHBondContact CB-O 3.21Å; E127-F171 HydrophobicContact CB-CE1 4.49Å; E127-F171 HydrophobicContact CB-CZ 4.35Å; E127-F171 HydrophobicContact CG-CE1 4.27Å; E127-F171 HydrophobicContact CG-CZ 4.19Å; E127-F171 WeakPolarHBondContact OE2-CZ 3.35Å
128	R	90.2	Very high	90.1	Very high	71 Å²	71	56 Å²	56	27%	0.268	28%	0.278	S	S	.	.			trans	-79.2	160.4	177.8	-61.6	-52.1	-170	-98.5	1.6	111.2	T124 S125 I130 S209 K213	T124-R128 PolarHBondContact O-NH1 3.4Å; S125-R128 PolarHBondContact O-NH1 3.42Å; R128-I130 PolarHBondContact O-N 3.48Å; R128-I130 VanDerWaalsContact O-N 3.15Å; R128-S209 WeakPolarHBondContact CD-O 3.28Å; R128-S209 PolarHBondContact NE-O 2.89Å; R128-K213 HydrophobicContact CG-CB 3.93Å
129	L	92	Very high	90	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	-58.3	-32.9	-177.4	-68.1	173.5	0	0	0	113.1	Y120 T124 F171 R174 L175 L178 I210 V211	Y120-L129 HydrophobicContact CD1-CD1 4.07Å; Y120-L129 HydrophobicContact CE1-CD1 4.06Å; Y120-L129 HydrophobicContact CE1-CD2 4.49Å; T124-L129 HydrophobicContact CG2-CD2 4.08Å; T124-L129 HydrophobicContact CG2-CG 3.83Å; L129-F171 HydrophobicContact CD2-CD1 4.2Å; L129-R174 HydrophobicContact CD2-CB 3.99Å; L129-L175 HydrophobicContact CB-CB 4.36Å; L129-L175 HydrophobicContact CB-CD1 4.19Å; L129-L175 HydrophobicContact CD1-CB 4.3Å; L129-L175 HydrophobicContact CD1-CD1 3.9Å; L129-L178 HydrophobicContact CD1-CD2 3.68Å; L129-I210 HydrophobicContact CD1-CG2 4.21Å; L129-I210 PolarHBondContact N-O 3.39Å; L129-V211 PolarHBondContact N-O 3.48Å
130	I	92.7	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-113.9	117.4	169.6	-55.7	179.1	0	0	0	107.7	R128 Y134 I138 L167 L175 V211 V212 W225	R128-I130 PolarHBondContact O-N 3.48Å; R128-I130 VanDerWaalsContact O-N 3.15Å; I130-Y134 HydrophobicContact CG2-CD2 4.5Å; I130-Y134 HydrophobicContact CG2-CG 4.36Å; I130-I138 HydrophobicContact CD1-CD1 4.2Å; I130-I138 HydrophobicContact CG2-CD1 4.21Å; I130-L167 HydrophobicContact CG1-CD1 4.21Å; I130-L167 HydrophobicContact CG2-CD2 4.42Å; I130-L175 HydrophobicContact CD1-CD2 3.92Å; I130-L175 HydrophobicContact CG1-CD2 3.74Å; I130-V211 WeakPolarHBondContact CB-O 3.15Å; I130-V211 HydrophobicContact CD1-CG1 3.72Å; I130-V211 HydrophobicContact CG1-CG1 4.13Å; I130-V211 PolarHBondContact N-O 2.94Å; I130-V212 HydrophobicContact CB-CB 4.21Å; I130-V212 HydrophobicContact CB-CG2 4.4Å; I130-W225 HydrophobicContact CD1-CH2 3.53Å; I130-W225 HydrophobicContact CD1-CZ3 3.79Å
131	P	90.5	Very high	89.8	Confident	20 Å²	20	48.3 Å²	48.3	13%	0.13	25%	0.252	C	S	.	.			trans	-59	148.8	175.3	-23.5	33	0	0	0	112.1	E133 Y134	P131-E133 WeakPolarHBondContact CB-OE2 3.31Å; P131-E133 PolarHBondContact O-N 2.87Å; P131-E133 VanDerWaalsContact O-N 3.09Å; P131-Y134 HydrophobicContact CB-CD2 3.92Å; P131-Y134 HydrophobicContact CB-CE2 4.14Å; P131-Y134 HydrophobicContact CG-CD2 4.07Å; P131-Y134 HydrophobicContact CG-CE2 3.99Å; P131-Y134 PolarHBondContact O-N 3.31Å; P131-Y134 VanDerWaalsContact O-N 3.07Å
132	S	88.5	Confident	89.7	Confident	62 Å²	62	44.4 Å²	44.4	43%	0.434	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.8	-25.2	-175.8	38.6	0	0	0	0	113.8	Y134 V135	S132-Y134 PolarHBondContact O-N 2.98Å; S132-V135 WeakPolarHBondContact O-CB 3.03Å; S132-V135 VanDerWaalsContact O-CG2 3.32Å; S132-V135 WeakPolarHBondContact O-CG2 3.26Å; S132-V135 PolarHBondContact O-N 3.45Å; S132-V135 VanDerWaalsContact O-N 3.11Å
133	E	87.4	Confident	89.6	Confident	91 Å²	91	44.1 Å²	44.1	43%	0.425	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.8	-21.4	178.6	-52.7	79.3	-109.7	0	0	112.8	P131 P136	P131-E133 WeakPolarHBondContact CB-OE2 3.31Å; P131-E133 PolarHBondContact O-N 2.87Å; P131-E133 VanDerWaalsContact O-N 3.09Å; E133-P136 WeakPolarHBondContact O-CD 3.36Å
134	Y	89.7	Confident	89.5	Confident	16 Å²	16	41.4 Å²	41.4	6%	0.063	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-89.2	-5.8	177.6	-65.7	-89.8	0	0	0	113.4	I21 I130 P131 S132 P136 I137 I138 L163 L166	I21-Y134 HydrophobicContact CD1-CD1 4.5Å; I21-Y134 HydrophobicContact CD1-CE1 4.48Å; I21-Y134 HydrophobicContact CG2-CE1 3.91Å; I130-Y134 HydrophobicContact CG2-CD2 4.5Å; I130-Y134 HydrophobicContact CG2-CG 4.36Å; P131-Y134 HydrophobicContact CB-CD2 3.92Å; P131-Y134 HydrophobicContact CB-CE2 4.14Å; P131-Y134 HydrophobicContact CG-CD2 4.07Å; P131-Y134 HydrophobicContact CG-CE2 3.99Å; P131-Y134 PolarHBondContact O-N 3.31Å; P131-Y134 VanDerWaalsContact O-N 3.07Å; S132-Y134 PolarHBondContact O-N 2.98Å; Y134-P136 VanDerWaalsContact C-CD 3.5Å; Y134-I137 HydrophobicContact CD1-CD1 3.83Å; Y134-I137 WeakPolarHBondContact O-CB 3.39Å; Y134-I137 PolarHBondContact O-N 2.81Å; Y134-I137 VanDerWaalsContact O-N 3.08Å; Y134-I138 PolarHBondContact O-N 3.41Å; Y134-I138 VanDerWaalsContact O-N 3.16Å; Y134-L163 HydrophobicContact CD1-CD1 3.48Å; Y134-L163 VanDerWaalsContact CD1-CD1 3.48Å; Y134-L163 HydrophobicContact CE1-CD1 4.35Å; Y134-L163 HydrophobicContact CG-CD1 3.99Å; Y134-L166 HydrophobicContact CE1-CB 3.95Å; Y134-L166 HydrophobicContact CE1-CD1 4.23Å
135	V	91.8	Very high	89.4	Confident	15 Å²	15	42.4 Å²	42.4	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-42.3	178.5	173	0	0	0	0	112.9	S132 I137 I138 V139 V212 V214 V222	S132-V135 WeakPolarHBondContact O-CB 3.03Å; S132-V135 VanDerWaalsContact O-CG2 3.32Å; S132-V135 WeakPolarHBondContact O-CG2 3.26Å; S132-V135 PolarHBondContact O-N 3.45Å; S132-V135 VanDerWaalsContact O-N 3.11Å; V135-I137 PolarHBondContact O-N 2.86Å; V135-I138 WeakPolarHBondContact O-CB 3.41Å; V135-I138 PolarHBondContact O-N 2.73Å; V135-I138 VanDerWaalsContact O-N 3.1Å; V135-V139 HydrophobicContact CG1-CG2 4.27Å; V135-V139 WeakPolarHBondContact O-CG2 3.31Å; V135-V139 PolarHBondContact O-N 3.23Å; V135-V212 HydrophobicContact CG2-CG2 3.55Å; V135-V214 HydrophobicContact CG1-CG1 4.43Å; V135-V222 HydrophobicContact CG1-CG2 4.08Å
136	P	90.4	Very high	89.3	Confident	59 Å²	59	42.4 Å²	42.4	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-58	-35.7	175.5	-26	36.3	0	0	0	113.6	L18 E133 Y134 V139 A140	L18-P136 HydrophobicContact CD1-CB 4.29Å; L18-P136 HydrophobicContact CD2-CB 4.06Å; L18-P136 HydrophobicContact CD2-CG 4.29Å; E133-P136 WeakPolarHBondContact O-CD 3.36Å; Y134-P136 VanDerWaalsContact C-CD 3.5Å; P136-V139 PolarHBondContact O-N 3.26Å; P136-A140 WeakPolarHBondContact O-CB 3.34Å; P136-A140 PolarHBondContact O-N 2.58Å
137	I	91.1	Very high	88.9	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-48.2	174.6	-67.1	170.3	0	0	0	109.7	L9 L13 L18 I21 Y134 V135 V139 A140 I141 L163	L9-I137 HydrophobicContact CD1-CG2 4.33Å; L9-I137 HydrophobicContact CD2-CD1 4.01Å; L9-I137 HydrophobicContact CD2-CG2 3.83Å; L9-I137 HydrophobicContact CG-CG2 4.39Å; L13-I137 HydrophobicContact CD1-CG2 3.78Å; L18-I137 HydrophobicContact CD1-CD1 3.99Å; L18-I137 HydrophobicContact CD1-CG1 3.55Å; I21-I137 HydrophobicContact CD1-CD1 3.38Å; I21-I137 HydrophobicContact CD1-CG1 4.32Å; Y134-I137 HydrophobicContact CD1-CD1 3.83Å; Y134-I137 WeakPolarHBondContact O-CB 3.39Å; Y134-I137 PolarHBondContact O-N 2.81Å; Y134-I137 VanDerWaalsContact O-N 3.08Å; V135-I137 PolarHBondContact O-N 2.86Å; I137-V139 VanDerWaalsContact C-N 3.29Å; I137-V139 PolarHBondContact O-N 2.72Å; I137-A140 PolarHBondContact O-N 3.18Å; I137-A140 VanDerWaalsContact O-N 3.12Å; I137-I141 HydrophobicContact CG2-CD1 3.85Å; I137-I141 HydrophobicContact CG2-CG1 4.35Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.38Å; I137-I141 PolarHBondContact O-N 3.08Å; I137-L163 HydrophobicContact CG2-CB 4.44Å; I137-L163 HydrophobicContact CG2-CD1 4.17Å; I137-L163 HydrophobicContact CG2-CD2 4.42Å
138	I	93.2	Very high	87.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-44.7	178	-65.6	170.9	0	0	0	110.8	I130 Y134 V135 A140 I141 T142 L163 V212 V222 W225	I130-I138 HydrophobicContact CD1-CD1 4.2Å; I130-I138 HydrophobicContact CG2-CD1 4.21Å; Y134-I138 PolarHBondContact O-N 3.41Å; Y134-I138 VanDerWaalsContact O-N 3.16Å; V135-I138 WeakPolarHBondContact O-CB 3.41Å; V135-I138 PolarHBondContact O-N 2.73Å; V135-I138 VanDerWaalsContact O-N 3.1Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 PolarHBondContact O-N 3.09Å; I138-I141 PolarHBondContact O-N 3.26Å; I138-T142 PolarHBondContact O-N 3.14Å; I138-T142 PolarHBondContact O-OG1 3.44Å; I138-L163 HydrophobicContact CD1-CD2 4.31Å; I138-L163 HydrophobicContact CG1-CD2 3.6Å; I138-V212 HydrophobicContact CD1-CG2 4.48Å; I138-V222 HydrophobicContact CB-CG2 4.43Å; I138-V222 HydrophobicContact CG2-CB 4.21Å; I138-V222 HydrophobicContact CG2-CG1 4.19Å; I138-V222 HydrophobicContact CG2-CG2 3.85Å; I138-W225 HydrophobicContact CD1-CE3 4.11Å; I138-W225 HydrophobicContact CD1-CH2 4.39Å; I138-W225 HydrophobicContact CD1-CZ3 4Å; I138-W225 HydrophobicContact CG1-CD2 4.27Å; I138-W225 HydrophobicContact CG1-CE3 4.27Å; I138-W225 HydrophobicContact CG1-CZ3 4.43Å; I138-W225 HydrophobicContact CG2-CB 3.6Å; I138-W225 HydrophobicContact CG2-CD2 3.63Å; I138-W225 HydrophobicContact CG2-CE3 3.79Å; I138-W225 HydrophobicContact CG2-CG 3.55Å
139	V	92	Very high	86.5	Confident	20 Å²	20	44.1 Å²	44.1	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-43.2	177.2	170.1	0	0	0	0	110.9	V135 P136 I137 T142 K143 E221	V135-V139 HydrophobicContact CG1-CG2 4.27Å; V135-V139 WeakPolarHBondContact O-CG2 3.31Å; V135-V139 PolarHBondContact O-N 3.23Å; P136-V139 PolarHBondContact O-N 3.26Å; I137-V139 VanDerWaalsContact C-N 3.29Å; I137-V139 PolarHBondContact O-N 2.72Å; V139-T142 WeakPolarHBondContact O-CB 3.48Å; V139-T142 PolarHBondContact O-N 2.95Å; V139-K143 HydrophobicContact CG1-CD 4.45Å; V139-K143 WeakPolarHBondContact O-CG 3.5Å; V139-K143 PolarHBondContact O-N 3.36Å; V139-E221 HydrophobicContact CG1-CG 4.37Å; V139-E221 HydrophobicContact CG2-CB 4.15Å
140	A	90.2	Very high	85.1	Confident	14 Å²	14	49.8 Å²	49.8	12%	0.116	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-41.6	177.4	0	0	0	0	0	112.9	L13 I15 P136 I137 I138 T142 K143 L144	L13-A140 HydrophobicContact CB-CB 4.27Å; L13-A140 HydrophobicContact CD1-CB 4.2Å; L13-A140 HydrophobicContact CD2-CB 4Å; L13-A140 HydrophobicContact CG-CB 4.41Å; I15-A140 HydrophobicContact CD1-CB 3.33Å; I15-A140 HydrophobicContact CG1-CB 4.01Å; P136-A140 WeakPolarHBondContact O-CB 3.34Å; P136-A140 PolarHBondContact O-N 2.58Å; I137-A140 PolarHBondContact O-N 3.18Å; I137-A140 VanDerWaalsContact O-N 3.12Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 PolarHBondContact O-N 3.09Å; A140-T142 PolarHBondContact O-N 3.45Å; A140-K143 WeakPolarHBondContact O-CB 3.35Å; A140-K143 PolarHBondContact O-N 3.26Å; A140-K143 VanDerWaalsContact O-N 3.14Å; A140-L144 PolarHBondContact O-N 2.72Å; A140-L144 VanDerWaalsContact O-N 3.12Å
141	I	91.8	Very high	83.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-42.5	173	-64.2	168.3	0	0	0	109.8	L13 I137 I138 K143 L144 L145 A156 A159 L163	L13-I141 HydrophobicContact CD1-CG1 4.04Å; L13-I141 HydrophobicContact CD2-CB 4.39Å; L13-I141 HydrophobicContact CD2-CG1 3.72Å; L13-I141 HydrophobicContact CG-CG1 4.5Å; I137-I141 HydrophobicContact CG2-CD1 3.85Å; I137-I141 HydrophobicContact CG2-CG1 4.35Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.38Å; I137-I141 PolarHBondContact O-N 3.08Å; I138-I141 PolarHBondContact O-N 3.26Å; I141-K143 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 2.92Å; I141-L144 WeakPolarHBondContact O-CB 3.29Å; I141-L144 PolarHBondContact O-N 3.44Å; I141-L145 PolarHBondContact O-N 3.37Å; I141-A156 HydrophobicContact CG2-CB 4.06Å; I141-A159 HydrophobicContact CD1-CB 4.04Å; I141-A159 HydrophobicContact CG1-CB 3.73Å; I141-L163 HydrophobicContact CD1-CB 4.39Å; I141-L163 HydrophobicContact CD1-CD2 4.19Å
142	T	91.1	Very high	82.8	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-39	178.1	-48.9	0	0	0	0	111.8	I138 V139 A140 L144 L145 F146 E221 F224	I138-T142 PolarHBondContact O-N 3.14Å; I138-T142 PolarHBondContact O-OG1 3.44Å; V139-T142 WeakPolarHBondContact O-CB 3.48Å; V139-T142 PolarHBondContact O-N 2.95Å; A140-T142 PolarHBondContact O-N 3.45Å; T142-L144 VanDerWaalsContact C-N 3.3Å; T142-L144 PolarHBondContact O-N 3.12Å; T142-L145 WeakPolarHBondContact O-CB 3.27Å; T142-L145 PolarHBondContact O-N 3.43Å; T142-L145 VanDerWaalsContact O-N 3.08Å; T142-F146 HydrophobicContact CG2-CD2 4.2Å; T142-F146 HydrophobicContact CG2-CE2 3.44Å; T142-F146 VanDerWaalsContact CG2-CE2 3.44Å; T142-F146 HydrophobicContact CG2-CZ 3.64Å; T142-F146 WeakPolarHBondContact O-CD2 3.37Å; T142-F146 PolarHBondContact O-N 2.93Å; T142-E221 HydrophobicContact CG2-CB 3.8Å; T142-E221 HydrophobicContact CG2-CG 4.14Å; T142-E221 PolarHBondContact OG1-O 3.4Å; T142-F224 HydrophobicContact CG2-CB 4.08Å; T142-F224 HydrophobicContact CG2-CD1 3.61Å; T142-F224 HydrophobicContact CG2-CE1 4.46Å; T142-F224 HydrophobicContact CG2-CG 4.18Å
143	K	88.3	Confident	82.4	Confident	129 Å²	129	58.2 Å²	58.2	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-35.1	175.4	-72.4	174.5	179.9	-180	0	112.5	V139 A140 I141 L145 F146	V139-K143 HydrophobicContact CG1-CD 4.45Å; V139-K143 WeakPolarHBondContact O-CG 3.5Å; V139-K143 PolarHBondContact O-N 3.36Å; A140-K143 WeakPolarHBondContact O-CB 3.35Å; A140-K143 PolarHBondContact O-N 3.26Å; A140-K143 VanDerWaalsContact O-N 3.14Å; I141-K143 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 2.92Å; K143-L145 VanDerWaalsContact C-N 3.31Å; K143-L145 PolarHBondContact O-N 3.32Å; K143-F146 PolarHBondContact O-N 2.89Å
144	L	87	Confident	82.3	Confident	28 Å²	28	60.4 Å²	60.4	15%	0.147	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-43.9	171.1	-66.3	179.9	0	0	0	111	I12 L13 A140 I141 T142 F146 N147 C152	I12-L144 HydrophobicContact CG2-CD1 3.81Å; L13-L144 HydrophobicContact CD2-CD1 3.57Å; L13-L144 HydrophobicContact CD2-CG 4.17Å; A140-L144 PolarHBondContact O-N 2.72Å; A140-L144 VanDerWaalsContact O-N 3.12Å; I141-L144 WeakPolarHBondContact O-CB 3.29Å; I141-L144 PolarHBondContact O-N 3.44Å; T142-L144 VanDerWaalsContact C-N 3.3Å; T142-L144 PolarHBondContact O-N 3.12Å; L144-F146 VanDerWaalsContact C-N 3.28Å; L144-F146 PolarHBondContact O-N 2.98Å; L144-N147 PolarHBondContact O-N 3.1Å; L144-C152 VanDerWaalsContact O-CB 3.24Å; L144-C152 WeakPolarHBondContact O-CB 3.27Å
145	L	86.7	Confident	82.1	Confident	25 Å²	25	63.4 Å²	63.4	13%	0.131	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-30	-179.3	-67.4	170.8	0	0	0	113.6	I141 T142 K143 N147 A156 F224 F228	I141-L145 PolarHBondContact O-N 3.37Å; T142-L145 WeakPolarHBondContact O-CB 3.27Å; T142-L145 PolarHBondContact O-N 3.43Å; T142-L145 VanDerWaalsContact O-N 3.08Å; K143-L145 VanDerWaalsContact C-N 3.31Å; K143-L145 PolarHBondContact O-N 3.32Å; L145-N147 VanDerWaalsContact C-N 3.26Å; L145-N147 PolarHBondContact O-N 3.16Å; L145-A156 HydrophobicContact CD1-CB 4.24Å; L145-A156 HydrophobicContact CD2-CB 3.25Å; L145-A156 HydrophobicContact CG-CB 3.59Å; L145-F224 HydrophobicContact CB-CE1 3.75Å; L145-F224 HydrophobicContact CD1-CD1 4.15Å; L145-F224 HydrophobicContact CD1-CE1 3.75Å; L145-F224 HydrophobicContact CG-CE1 4.37Å; L145-F228 HydrophobicContact CD1-CB 3.95Å; L145-F228 HydrophobicContact CD1-CD1 3.8Å; L145-F228 HydrophobicContact CD1-CD2 3.81Å; L145-F228 HydrophobicContact CD1-CE1 4.19Å; L145-F228 HydrophobicContact CD1-CE2 4.21Å; L145-F228 HydrophobicContact CD1-CG 3.57Å; L145-F228 HydrophobicContact CD1-CZ 4.36Å; L145-F228 HydrophobicContact CD2-CD2 3.79Å; L145-F228 HydrophobicContact CD2-CE1 4.29Å; L145-F228 HydrophobicContact CD2-CE2 3.44Å; L145-F228 VanDerWaalsContact CD2-CE2 3.44Å; L145-F228 HydrophobicContact CD2-CG 4.34Å; L145-F228 HydrophobicContact CD2-CZ 3.69Å; L145-F228 HydrophobicContact CG-CD2 4.48Å; L145-F228 HydrophobicContact CG-CE2 4.49Å
146	F	82.8	Confident	82	Confident	83 Å²	83	62.7 Å²	62.7	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-74.7	-12.2	177.8	-66.5	-45.9	0	0	0	114.2	T142 K143 L144 E148 E221 F224	T142-F146 HydrophobicContact CG2-CD2 4.2Å; T142-F146 HydrophobicContact CG2-CE2 3.44Å; T142-F146 VanDerWaalsContact CG2-CE2 3.44Å; T142-F146 HydrophobicContact CG2-CZ 3.64Å; T142-F146 WeakPolarHBondContact O-CD2 3.37Å; T142-F146 PolarHBondContact O-N 2.93Å; K143-F146 PolarHBondContact O-N 2.89Å; L144-F146 VanDerWaalsContact C-N 3.28Å; L144-F146 PolarHBondContact O-N 2.98Å; F146-E148 PolarHBondContact O-N 3.28Å; F146-E221 HydrophobicContact CE2-CG 4.46Å; F146-F224 HydrophobicContact CD1-CZ 4.47Å; F146-F224 HydrophobicContact CE1-CD1 4.17Å; F146-F224 HydrophobicContact CE1-CD2 4.1Å; F146-F224 HydrophobicContact CE1-CE1 4.08Å; F146-F224 HydrophobicContact CE1-CE2 4.02Å; F146-F224 HydrophobicContact CE1-CG 4.17Å; F146-F224 HydrophobicContact CE1-CZ 4.01Å; F146-F224 HydrophobicContact CZ-CD1 4.23Å; F146-F224 HydrophobicContact CZ-CD2 4.44Å; F146-F224 HydrophobicContact CZ-CG 4.16Å
147	N	75.1	Confident	82	Confident	115 Å²	115	61.1 Å²	61.1	62%	0.615	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	16.1	-178.9	-71	-21.1	0	0	0	114	L144 L145 S149	L144-N147 PolarHBondContact O-N 3.1Å; L145-N147 VanDerWaalsContact C-N 3.26Å; L145-N147 PolarHBondContact O-N 3.16Å; N147-S149 PolarHBondContact O-N 3.08Å
148	E	61.9	Low	81.9	Confident	187 Å²	187	63.2 Å²	63.2	87%	0.874	31%	0.314	S	S	*	.			trans	47.1	1.4	168.3	-70.2	-172.7	178.1	0	0	119.5	F146	F146-E148 PolarHBondContact O-N 3.28Å
149	S	62.8	Low	81.7	Confident	58 Å²	58	63.2 Å²	63.2	41%	0.406	31%	0.314	S	S	.	.			trans	-81.8	142.9	175.6	88.7	0	0	0	0	111.7	N147 R151 C152	N147-S149 PolarHBondContact O-N 3.08Å; S149-R151 PolarHBondContact O-N 3.48Å; S149-C152 VanDerWaalsContact O-CB 3.25Å; S149-C152 WeakPolarHBondContact O-CB 3.38Å; S149-C152 PolarHBondContact O-N 3.12Å; S149-C152 PolarHBondContact OG-N 3.37Å; S149-C152 PolarHBondContact OG-SG 3.4Å
150	V	62.2	Low	81.7	Confident	122 Å²	122	62.3 Å²	62.3	74%	0.739	31%	0.308	S	S	*	.	H	α-helix	trans	-54	-38.9	178.3	177.3	0	0	0	0	111.7	C152 S153	V150-C152 PolarHBondContact O-N 3.03Å; V150-S153 PolarHBondContact O-N 3.07Å; V150-S153 VanDerWaalsContact O-N 3.1Å
151	R	63.6	Low	81.7	Confident	200 Å²	200	62 Å²	62	76%	0.755	30%	0.304	S	S	*	.	H	α-helix	trans	-60.6	-31.1	177.3	-67.8	-171.5	176.9	-157.6	-0.9	112.7	S149 S153 E154 Q155	S149-R151 PolarHBondContact O-N 3.48Å; R151-S153 VanDerWaalsContact C-N 3.29Å; R151-S153 PolarHBondContact O-N 2.9Å; R151-E154 PolarHBondContact O-N 3.49Å; R151-Q155 WeakPolarHBondContact O-CG 3.49Å; R151-Q155 PolarHBondContact O-N 3.48Å; R151-Q155 VanDerWaalsContact O-N 3.11Å
152	C	71.1	Confident	81.5	Confident	13 Å²	13	62 Å²	62	9%	0.088	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-29.2	178.2	-65.9	0	0	0	0	112.5	L144 S149 V150 A156	L144-C152 VanDerWaalsContact O-CB 3.24Å; L144-C152 WeakPolarHBondContact O-CB 3.27Å; S149-C152 VanDerWaalsContact O-CB 3.25Å; S149-C152 WeakPolarHBondContact O-CB 3.38Å; S149-C152 PolarHBondContact O-N 3.12Å; S149-C152 PolarHBondContact OG-N 3.37Å; S149-C152 PolarHBondContact OG-SG 3.4Å; V150-C152 PolarHBondContact O-N 3.03Å; C152-A156 WeakPolarHBondContact O-CB 3.47Å; C152-A156 PolarHBondContact O-N 2.98Å
153	S	80.7	Confident	81.4	Confident	46 Å²	46	62 Å²	62	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-69.2	-43.1	177	-170.3	0	0	0	0	111.5	V150 R151 A156 I157	V150-S153 PolarHBondContact O-N 3.07Å; V150-S153 VanDerWaalsContact O-N 3.1Å; R151-S153 VanDerWaalsContact C-N 3.29Å; R151-S153 PolarHBondContact O-N 2.9Å; S153-A156 PolarHBondContact O-N 3.35Å; S153-I157 WeakPolarHBondContact O-CG1 3.33Å; S153-I157 PolarHBondContact O-N 3.19Å
154	E	85.3	Confident	81.5	Confident	136 Å²	136	55.9 Å²	55.9	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-65.1	-44.9	176.8	-68.1	-179.6	171.4	0	0	111.4	R151 A156 I157 E158	R151-E154 PolarHBondContact O-N 3.49Å; E154-A156 VanDerWaalsContact C-N 3.29Å; E154-A156 PolarHBondContact O-N 2.98Å; E154-I157 WeakPolarHBondContact O-CB 3.24Å; E154-I157 PolarHBondContact O-N 2.71Å; E154-E158 PolarHBondContact O-N 2.97Å
155	Q	85.9	Confident	81.4	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-36.4	175.5	-71.7	179.2	-44.1	0	0	112.5	I12 R151 E158 A159	I12-Q155 HydrophobicContact CG2-CB 4.2Å; R151-Q155 WeakPolarHBondContact O-CG 3.49Å; R151-Q155 PolarHBondContact O-N 3.48Å; R151-Q155 VanDerWaalsContact O-N 3.11Å; Q155-E158 PolarHBondContact O-N 2.95Å; Q155-A159 VanDerWaalsContact O-CB 3.27Å; Q155-A159 WeakPolarHBondContact O-CB 3.45Å; Q155-A159 PolarHBondContact O-N 3.16Å
156	A	90	Very high	81.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.5	-33.9	176.7	0	0	0	0	0	112.9	I141 L145 C152 S153 E154 S160 F228	I141-A156 HydrophobicContact CG2-CB 4.06Å; L145-A156 HydrophobicContact CD1-CB 4.24Å; L145-A156 HydrophobicContact CD2-CB 3.25Å; L145-A156 HydrophobicContact CG-CB 3.59Å; C152-A156 WeakPolarHBondContact O-CB 3.47Å; C152-A156 PolarHBondContact O-N 2.98Å; S153-A156 PolarHBondContact O-N 3.35Å; E154-A156 VanDerWaalsContact C-N 3.29Å; E154-A156 PolarHBondContact O-N 2.98Å; A156-S160 VanDerWaalsContact O-CB 3.27Å; A156-S160 WeakPolarHBondContact O-CB 3.28Å; A156-S160 PolarHBondContact O-N 3.11Å; A156-S160 PolarHBondContact O-OG 3.44Å; A156-F228 HydrophobicContact CB-CE1 4.01Å; A156-F228 HydrophobicContact CB-CZ 3.84Å
157	I	90.3	Very high	81.5	Confident	26 Å²	26	50 Å²	50	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-51.8	169.1	-71.1	170.2	0	0	0	108.9	S153 E154 A159 S160 Q161 F228 I236	S153-I157 WeakPolarHBondContact O-CG1 3.33Å; S153-I157 PolarHBondContact O-N 3.19Å; E154-I157 WeakPolarHBondContact O-CB 3.24Å; E154-I157 PolarHBondContact O-N 2.71Å; I157-A159 PolarHBondContact O-N 3.2Å; I157-S160 WeakPolarHBondContact O-CB 3.44Å; I157-S160 PolarHBondContact O-N 3.45Å; I157-Q161 HydrophobicContact CG2-CG 4.48Å; I157-Q161 VanDerWaalsContact O-CG 3.29Å; I157-Q161 WeakPolarHBondContact O-CG 3.49Å; I157-Q161 PolarHBondContact O-N 3.45Å; I157-F228 HydrophobicContact CG1-CE1 4.24Å; I157-F228 HydrophobicContact CG1-CZ 3.72Å; I157-I236 HydrophobicContact CG1-CG1 4.49Å; I157-I236 HydrophobicContact CG2-CG1 3.96Å
158	E	87.4	Confident	81.9	Confident	46 Å²	46	48.4 Å²	48.4	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-47.5	-179.4	-175.4	175.5	-160.7	0	0	112.1	K8 I12 E154 Q155 S160 Q161 L162 F243	K8-E158 WeakPolarHBondContact CE-OE1 2.79Å; K8-E158 IonicContact NZ-OE1 2.71Å; K8-E158 PolarHBondContact NZ-OE1 2.9Å; I12-E158 HydrophobicContact CD1-CB 4.3Å; I12-E158 HydrophobicContact CD1-CG 3.74Å; E154-E158 PolarHBondContact O-N 2.97Å; Q155-E158 PolarHBondContact O-N 2.95Å; E158-S160 VanDerWaalsContact C-N 3.28Å; E158-S160 PolarHBondContact O-N 3.38Å; E158-Q161 WeakPolarHBondContact O-CB 3.36Å; E158-Q161 PolarHBondContact O-N 2.95Å; E158-Q161 VanDerWaalsContact O-N 3.16Å; E158-L162 HydrophobicContact CG-CD1 4.21Å; E158-L162 WeakPolarHBondContact O-CG 3.29Å; E158-L162 PolarHBondContact O-N 3.48Å; E158-F243 HydrophobicContact CG-CE2 4.37Å; E158-F243 HydrophobicContact CG-CZ 4.1Å
159	A	89.6	Confident	82.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-35.9	177.4	0	0	0	0	0	112.2	L9 I12 L13 I141 Q155 I157 L162 L163	L9-A159 HydrophobicContact CD1-CB 3.73Å; L9-A159 WeakPolarHBondContact CD1-O 3.47Å; I12-A159 HydrophobicContact CG2-CB 4.04Å; L13-A159 HydrophobicContact CD2-CB 4.24Å; I141-A159 HydrophobicContact CD1-CB 4.04Å; I141-A159 HydrophobicContact CG1-CB 3.73Å; Q155-A159 VanDerWaalsContact O-CB 3.27Å; Q155-A159 WeakPolarHBondContact O-CB 3.45Å; Q155-A159 PolarHBondContact O-N 3.16Å; I157-A159 PolarHBondContact O-N 3.2Å; A159-L162 PolarHBondContact O-N 2.75Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 PolarHBondContact O-N 3.17Å
160	S	92.2	Very high	83.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-38.4	174.6	-59.7	0	0	0	0	111.9	A156 I157 E158 L163 L164 W225	A156-S160 VanDerWaalsContact O-CB 3.27Å; A156-S160 WeakPolarHBondContact O-CB 3.28Å; A156-S160 PolarHBondContact O-N 3.11Å; A156-S160 PolarHBondContact O-OG 3.44Å; I157-S160 WeakPolarHBondContact O-CB 3.44Å; I157-S160 PolarHBondContact O-N 3.45Å; E158-S160 VanDerWaalsContact C-N 3.28Å; E158-S160 PolarHBondContact O-N 3.38Å; S160-L163 PolarHBondContact O-N 2.75Å; S160-L164 WeakPolarHBondContact O-CG 3.48Å; S160-L164 PolarHBondContact O-N 2.97Å; S160-L164 VanDerWaalsContact O-N 3.14Å; S160-W225 PolarHBondContact OG-NE1 3.31Å
161	Q	89.8	Confident	85	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-48.4	174	-71.8	165.1	-19.9	0	0	111.2	I157 E158 L163 L164 V165 S235 I236 L240	I157-Q161 HydrophobicContact CG2-CG 4.48Å; I157-Q161 VanDerWaalsContact O-CG 3.29Å; I157-Q161 WeakPolarHBondContact O-CG 3.49Å; I157-Q161 PolarHBondContact O-N 3.45Å; E158-Q161 WeakPolarHBondContact O-CB 3.36Å; E158-Q161 PolarHBondContact O-N 2.95Å; E158-Q161 VanDerWaalsContact O-N 3.16Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-L163 PolarHBondContact O-N 3.45Å; Q161-L164 WeakPolarHBondContact O-CB 3.28Å; Q161-L164 PolarHBondContact O-N 3.08Å; Q161-L164 VanDerWaalsContact O-N 3.14Å; Q161-V165 WeakPolarHBondContact O-CG2 3.41Å; Q161-V165 PolarHBondContact O-N 3.35Å; Q161-S235 PolarHBondContact NE2-O 3.45Å; Q161-I236 HydrophobicContact CG-CB 4.34Å; Q161-I236 HydrophobicContact CG-CG2 3.91Å; Q161-I236 VanDerWaalsContact CG-O 3.28Å; Q161-I236 WeakPolarHBondContact CG-O 3.24Å; Q161-I236 PolarHBondContact NE2-O 3.48Å; Q161-L240 HydrophobicContact CB-CD1 4.44Å; Q161-L240 HydrophobicContact CB-CG 4.33Å; Q161-L240 HydrophobicContact CG-CD1 4.34Å; Q161-L240 HydrophobicContact CG-CG 4.47Å
162	L	87	Confident	86.2	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-41.3	179.1	-67.1	170	0	0	0	111.6	A5 K8 L9 I12 E158 A159 L164 V165 L166 F243	A5-L162 HydrophobicContact CB-CD2 3.95Å; K8-L162 HydrophobicContact CB-CD1 3.9Å; K8-L162 HydrophobicContact CB-CD2 4.44Å; K8-L162 HydrophobicContact CD-CD1 4.09Å; K8-L162 HydrophobicContact CD-CD2 4.34Å; K8-L162 HydrophobicContact CG-CD1 3.9Å; L9-L162 HydrophobicContact CB-CB 4.14Å; L9-L162 HydrophobicContact CB-CD1 4.13Å; L9-L162 HydrophobicContact CD1-CB 4.1Å; I12-L162 HydrophobicContact CD1-CD1 3.74Å; E158-L162 HydrophobicContact CG-CD1 4.21Å; E158-L162 WeakPolarHBondContact O-CG 3.29Å; E158-L162 PolarHBondContact O-N 3.48Å; A159-L162 PolarHBondContact O-N 2.75Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 2.84Å; L162-V165 WeakPolarHBondContact O-CB 3.35Å; L162-V165 PolarHBondContact O-N 3.19Å; L162-V165 VanDerWaalsContact O-N 3.17Å; L162-L166 WeakPolarHBondContact O-CG 3.35Å; L162-L166 PolarHBondContact O-N 3.02Å; L162-L166 VanDerWaalsContact O-N 3.11Å; L162-F243 HydrophobicContact CD2-CE1 4.45Å
163	L	90.1	Very high	86.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-45.5	172.9	170.1	61.8	0	0	0	111.7	Y134 I137 I138 I141 A159 S160 Q161 V165 L166 W225	Y134-L163 HydrophobicContact CD1-CD1 3.48Å; Y134-L163 VanDerWaalsContact CD1-CD1 3.48Å; Y134-L163 HydrophobicContact CE1-CD1 4.35Å; Y134-L163 HydrophobicContact CG-CD1 3.99Å; I137-L163 HydrophobicContact CG2-CB 4.44Å; I137-L163 HydrophobicContact CG2-CD1 4.17Å; I137-L163 HydrophobicContact CG2-CD2 4.42Å; I138-L163 HydrophobicContact CD1-CD2 4.31Å; I138-L163 HydrophobicContact CG1-CD2 3.6Å; I141-L163 HydrophobicContact CD1-CB 4.39Å; I141-L163 HydrophobicContact CD1-CD2 4.19Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 PolarHBondContact O-N 3.17Å; S160-L163 PolarHBondContact O-N 2.75Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-L163 PolarHBondContact O-N 3.45Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 3.35Å; L163-L166 WeakPolarHBondContact O-CB 3.32Å; L163-L166 PolarHBondContact O-N 3.29Å; L163-W225 HydrophobicContact CD2-CH2 4.18Å; L163-W225 HydrophobicContact CD2-CZ2 3.69Å
164	L	89.9	Confident	87.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-35.1	178.8	-68.1	170.8	0	0	0	112.4	S160 Q161 L162 L166 L167 R172 L175 M176 I236 L240	S160-L164 WeakPolarHBondContact O-CG 3.48Å; S160-L164 PolarHBondContact O-N 2.97Å; S160-L164 VanDerWaalsContact O-N 3.14Å; Q161-L164 WeakPolarHBondContact O-CB 3.28Å; Q161-L164 PolarHBondContact O-N 3.08Å; Q161-L164 VanDerWaalsContact O-N 3.14Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 2.84Å; L164-L166 VanDerWaalsContact C-N 3.29Å; L164-L166 PolarHBondContact O-N 2.94Å; L164-L167 HydrophobicContact CD2-CD1 4.02Å; L164-L167 WeakPolarHBondContact O-CB 3.42Å; L164-L167 PolarHBondContact O-N 2.95Å; L164-R172 VanDerWaalsContact O-CD 3.22Å; L164-R172 WeakPolarHBondContact O-CD 3.43Å; L164-R172 WeakPolarHBondContact O-CG 3.39Å; L164-L175 HydrophobicContact CD2-CD2 3.42Å; L164-L175 VanDerWaalsContact CD2-CD2 3.42Å; L164-L175 HydrophobicContact CD2-CG 4.23Å; L164-M176 HydrophobicContact CD1-SD 3.91Å; L164-I236 HydrophobicContact CD1-CG2 3.67Å; L164-L240 HydrophobicContact CB-CD1 3.84Å; L164-L240 HydrophobicContact CB-CD2 4.4Å; L164-L240 HydrophobicContact CD1-CD1 3.52Å; L164-L240 HydrophobicContact CG-CD1 4.32Å
165	V	85.5	Confident	87.8	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-31.8	174.2	172.3	0	0	0	0	112.1	M1 A5 Q161 L162 L163 L167 L240	M1-V165 HydrophobicContact CG-CG1 4.19Å; M1-V165 HydrophobicContact SD-CG1 4.42Å; A5-V165 HydrophobicContact CB-CB 4.46Å; A5-V165 HydrophobicContact CB-CG1 3.95Å; Q161-V165 WeakPolarHBondContact O-CG2 3.41Å; Q161-V165 PolarHBondContact O-N 3.35Å; L162-V165 WeakPolarHBondContact O-CB 3.35Å; L162-V165 PolarHBondContact O-N 3.19Å; L162-V165 VanDerWaalsContact O-N 3.17Å; L163-V165 VanDerWaalsContact C-N 3.33Å; L163-V165 PolarHBondContact O-N 3.35Å; V165-L167 VanDerWaalsContact C-N 3.27Å; V165-L167 PolarHBondContact O-N 3.18Å; V165-L240 HydrophobicContact CG2-CD2 3.58Å; V165-L240 HydrophobicContact CG2-CG 4.34Å
166	L	84.6	Confident	88	Confident	8 Å²	8	27.1 Å²	27.1	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-70.9	-22	178.7	-66.2	176.7	0	0	0	113.5	R2 A5 L6 L9 Y134 L162 L163 L164	R2-L166 HydrophobicContact CB-CD2 4.25Å; R2-L166 VanDerWaalsContact O-CD2 3.23Å; R2-L166 WeakPolarHBondContact O-CD2 3.32Å; A5-L166 HydrophobicContact CB-CD2 4.08Å; L6-L166 HydrophobicContact CB-CD2 3.97Å; L6-L166 HydrophobicContact CD1-CD1 3.97Å; L9-L166 HydrophobicContact CD2-CD1 3.57Å; Y134-L166 HydrophobicContact CE1-CB 3.95Å; Y134-L166 HydrophobicContact CE1-CD1 4.23Å; L162-L166 WeakPolarHBondContact O-CG 3.35Å; L162-L166 PolarHBondContact O-N 3.02Å; L162-L166 VanDerWaalsContact O-N 3.11Å; L163-L166 WeakPolarHBondContact O-CB 3.32Å; L163-L166 PolarHBondContact O-N 3.29Å; L164-L166 VanDerWaalsContact C-N 3.29Å; L164-L166 PolarHBondContact O-N 2.94Å
167	L	87.3	Confident	88.1	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.016	14%	0.135	C	C	.	.	S	Bend	trans	-65.1	154.8	177.7	-58.6	178	0	0	0	111.2	I130 L164 V165 R172 L175	I130-L167 HydrophobicContact CG1-CD1 4.21Å; I130-L167 HydrophobicContact CG2-CD2 4.42Å; L164-L167 HydrophobicContact CD2-CD1 4.02Å; L164-L167 WeakPolarHBondContact O-CB 3.42Å; L164-L167 PolarHBondContact O-N 2.95Å; V165-L167 VanDerWaalsContact C-N 3.27Å; V165-L167 PolarHBondContact O-N 3.18Å; L167-R172 HydrophobicContact CB-CB 4.17Å; L167-L175 HydrophobicContact CD1-CD2 3.58Å
168	R	83.6	Confident	88.4	Confident	81 Å²	81	27.5 Å²	27.5	31%	0.306	13%	0.129	S	C	.	.			trans	-62.6	148.1	169.7	-64.6	166.2	46.3	165.7	-1.4	109.7	D170 F171 R172	R168-D170 VanDerWaalsContact C-N 3.3Å; R168-D170 WeakPolarHBondContact CB-OD1 3.47Å; R168-D170 IonicContact CZ-OD1 3.45Å; R168-D170 IonicContact CZ-OD2 2.73Å; R168-D170 IonicContact NE-OD1 3.42Å; R168-D170 PolarHBondContact NE-OD1 3.44Å; R168-D170 VanDerWaalsContact NE-OD1 3.14Å; R168-D170 IonicContact NE-OD2 3.81Å; R168-D170 IonicContact NH2-OD1 2.87Å; R168-D170 IonicContact NH2-OD2 2.67Å; R168-D170 PolarHBondContact NH2-OD2 3.21Å; R168-D170 PolarHBondContact O-N 2.92Å; R168-F171 HydrophobicContact CB-CD2 4.03Å; R168-F171 PolarHBondContact O-N 3.38Å; R168-F171 VanDerWaalsContact O-N 3.12Å; R168-R172 WeakPolarHBondContact O-CB 3.11Å; R168-R172 PolarHBondContact O-N 2.84Å
169	D	81.7	Confident	88.8	Confident	85 Å²	85	25.3 Å²	25.3	46%	0.455	12%	0.119	S	C	.	.	H	α-helix	trans	-59	-41.1	-172.9	-60.4	-29.9	0	0	0	112.5	F171 R172 D173	D169-F171 PolarHBondContact O-N 3.29Å; D169-R172 PolarHBondContact O-N 3.45Å; D169-R172 IonicContact OD1-CZ 4Å; D169-R172 IonicContact OD1-NH1 3.65Å; D169-R172 PolarHBondContact OD1-NH1 3.11Å; D169-R172 IonicContact OD1-NH2 3.48Å; D169-R172 PolarHBondContact OD1-NH2 3.23Å; D169-D173 WeakPolarHBondContact O-CB 3.28Å; D169-D173 VanDerWaalsContact O-CG 3.29Å; D169-D173 PolarHBondContact O-N 3.07Å
170	D	81.8	Confident	89	Confident	78 Å²	78	30.1 Å²	30.1	42%	0.417	14%	0.137	S	C	.	.	H	α-helix	trans	-62.2	-42.1	177.5	55	-33	0	0	0	112.8	R168 R174	R168-D170 VanDerWaalsContact C-N 3.3Å; R168-D170 WeakPolarHBondContact CB-OD1 3.47Å; R168-D170 IonicContact CZ-OD1 3.45Å; R168-D170 IonicContact CZ-OD2 2.73Å; R168-D170 IonicContact NE-OD1 3.42Å; R168-D170 PolarHBondContact NE-OD1 3.44Å; R168-D170 VanDerWaalsContact NE-OD1 3.14Å; R168-D170 IonicContact NE-OD2 3.81Å; R168-D170 IonicContact NH2-OD1 2.87Å; R168-D170 IonicContact NH2-OD2 2.67Å; R168-D170 PolarHBondContact NH2-OD2 3.21Å; R168-D170 PolarHBondContact O-N 2.92Å; D170-R174 WeakPolarHBondContact O-CG 3.46Å; D170-R174 PolarHBondContact O-N 3.09Å
171	F	87.1	Confident	89.2	Confident	35 Å²	35	30.2 Å²	30.2	15%	0.154	14%	0.137	C	C	.	.	H	α-helix	trans	-74.4	-39	177.1	-77	-88.6	0	0	0	112.4	E127 L129 R168 D169 L175	E127-F171 HydrophobicContact CB-CE1 4.49Å; E127-F171 HydrophobicContact CB-CZ 4.35Å; E127-F171 HydrophobicContact CG-CE1 4.27Å; E127-F171 HydrophobicContact CG-CZ 4.19Å; E127-F171 WeakPolarHBondContact OE2-CZ 3.35Å; L129-F171 HydrophobicContact CD2-CD1 4.2Å; R168-F171 HydrophobicContact CB-CD2 4.03Å; R168-F171 PolarHBondContact O-N 3.38Å; R168-F171 VanDerWaalsContact O-N 3.12Å; D169-F171 PolarHBondContact O-N 3.29Å; F171-L175 VanDerWaalsContact O-CB 3.26Å; F171-L175 WeakPolarHBondContact O-CB 3.49Å; F171-L175 PolarHBondContact O-N 3.02Å
172	R	88.9	Confident	89.5	Confident	17 Å²	17	29.9 Å²	29.9	6%	0.064	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-53.5	177.2	-174.6	179.9	65.4	-119.4	-6.7	110.3	L164 L167 R168 D169 R174 L175 M176 E244	L164-R172 VanDerWaalsContact O-CD 3.22Å; L164-R172 WeakPolarHBondContact O-CD 3.43Å; L164-R172 WeakPolarHBondContact O-CG 3.39Å; L167-R172 HydrophobicContact CB-CB 4.17Å; R168-R172 WeakPolarHBondContact O-CB 3.11Å; R168-R172 PolarHBondContact O-N 2.84Å; D169-R172 PolarHBondContact O-N 3.45Å; D169-R172 IonicContact OD1-CZ 4Å; D169-R172 IonicContact OD1-NH1 3.65Å; D169-R172 PolarHBondContact OD1-NH1 3.11Å; D169-R172 IonicContact OD1-NH2 3.48Å; D169-R172 PolarHBondContact OD1-NH2 3.23Å; R172-R174 VanDerWaalsContact C-N 3.3Å; R172-R174 PolarHBondContact O-N 3.19Å; R172-L175 PolarHBondContact O-N 3.36Å; R172-L175 VanDerWaalsContact O-N 3.16Å; R172-M176 HydrophobicContact CG-CG 4.28Å; R172-M176 WeakPolarHBondContact O-CB 3.4Å; R172-M176 WeakPolarHBondContact O-CG 3.34Å; R172-M176 PolarHBondContact O-N 3.38Å; R172-E244 IonicContact CZ-OE1 2.61Å; R172-E244 IonicContact NE-OE1 3.28Å; R172-E244 PolarHBondContact NE-OE1 3.09Å; R172-E244 IonicContact NH2-OE1 3.17Å
173	D	87	Confident	89.9	Confident	80 Å²	80	31.8 Å²	31.8	43%	0.428	15%	0.145	S	C	.	.	H	α-helix	trans	-59.4	-42.7	-177.1	-71	-11.1	0	0	0	111.4	D169 M176 E177	D169-D173 WeakPolarHBondContact O-CB 3.28Å; D169-D173 VanDerWaalsContact O-CG 3.29Å; D169-D173 PolarHBondContact O-N 3.07Å; D173-M176 PolarHBondContact O-N 2.83Å; D173-E177 WeakPolarHBondContact O-CG 3.4Å; D173-E177 PolarHBondContact O-N 3.36Å
174	R	90.1	Very high	90.1	Very high	82 Å²	82	34.1 Å²	34.1	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-64.2	-44.8	175.5	-69.7	-63.3	-176.6	-161.8	2.4	113	Y120 L129 D170 R172 M176 E177 L178	Y120-R174 HydrophobicContact CE1-CB 4.29Å; Y120-R174 PolarHBondContact OH-O 2.91Å; Y120-R174 VanDerWaalsContact OH-O 3.05Å; L129-R174 HydrophobicContact CD2-CB 3.99Å; D170-R174 WeakPolarHBondContact O-CG 3.46Å; D170-R174 PolarHBondContact O-N 3.09Å; R172-R174 VanDerWaalsContact C-N 3.3Å; R172-R174 PolarHBondContact O-N 3.19Å; R174-M176 VanDerWaalsContact C-N 3.27Å; R174-M176 PolarHBondContact O-N 3.06Å; R174-E177 IonicContact CZ-OE2 2.69Å; R174-E177 IonicContact NH1-OE2 3.67Å; R174-E177 PolarHBondContact NH1-OE2 3.38Å; R174-E177 PolarHBondContact O-N 3.32Å; R174-L178 WeakPolarHBondContact O-CB 3.44Å; R174-L178 PolarHBondContact O-N 2.89Å
175	L	93.2	Very high	90.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-38.5	176.2	-179.1	59.2	0	0	0	111.2	L129 I130 L164 L167 F171 R172 L178 L179 V211	L129-L175 HydrophobicContact CB-CB 4.36Å; L129-L175 HydrophobicContact CB-CD1 4.19Å; L129-L175 HydrophobicContact CD1-CB 4.3Å; L129-L175 HydrophobicContact CD1-CD1 3.9Å; I130-L175 HydrophobicContact CD1-CD2 3.92Å; I130-L175 HydrophobicContact CG1-CD2 3.74Å; L164-L175 HydrophobicContact CD2-CD2 3.42Å; L164-L175 VanDerWaalsContact CD2-CD2 3.42Å; L164-L175 HydrophobicContact CD2-CG 4.23Å; L167-L175 HydrophobicContact CD1-CD2 3.58Å; F171-L175 VanDerWaalsContact O-CB 3.26Å; F171-L175 WeakPolarHBondContact O-CB 3.49Å; F171-L175 PolarHBondContact O-N 3.02Å; R172-L175 PolarHBondContact O-N 3.36Å; R172-L175 VanDerWaalsContact O-N 3.16Å; L175-L178 PolarHBondContact O-N 3Å; L175-L179 HydrophobicContact CD1-CD1 4.07Å; L175-L179 HydrophobicContact CD1-CD2 4.5Å; L175-L179 HydrophobicContact CD1-CG 3.95Å; L175-L179 HydrophobicContact CG-CD1 3.85Å; L175-L179 HydrophobicContact CG-CG 4.2Å; L175-L179 VanDerWaalsContact O-CB 3.31Å; L175-L179 WeakPolarHBondContact O-CB 3.47Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.14Å; L175-V211 HydrophobicContact CD1-CG1 4.06Å; L175-V211 HydrophobicContact CD1-CG2 4.06Å
176	M	92	Very high	90.8	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.084	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-42.1	177.8	-69.8	-53.5	-49.9	0	0	112.5	L164 R172 D173 R174 R180 F233 F237 L240	L164-M176 HydrophobicContact CD1-SD 3.91Å; R172-M176 HydrophobicContact CG-CG 4.28Å; R172-M176 WeakPolarHBondContact O-CB 3.4Å; R172-M176 WeakPolarHBondContact O-CG 3.34Å; R172-M176 PolarHBondContact O-N 3.38Å; D173-M176 PolarHBondContact O-N 2.83Å; R174-M176 VanDerWaalsContact C-N 3.27Å; R174-M176 PolarHBondContact O-N 3.06Å; M176-R180 WeakPolarHBondContact O-CB 3.22Å; M176-R180 PolarHBondContact O-N 3.47Å; M176-F233 HydrophobicContact CE-CE2 3.65Å; M176-F233 HydrophobicContact CE-CZ 3.99Å; M176-F237 HydrophobicContact CE-CB 4.07Å; M176-F237 HydrophobicContact CE-CD2 3.06Å; M176-F237 HydrophobicContact CE-CE2 3.55Å; M176-F237 HydrophobicContact CE-CG 3.8Å; M176-F237 HydrophobicContact SD-CD2 4.46Å; M176-L240 HydrophobicContact SD-CD1 4.33Å
177	E	91.8	Very high	91.2	Very high	33 Å²	33	37.6 Å²	37.6	15%	0.154	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-48.9	171.8	-74.5	176.6	163.9	0	0	110.9	F67 C87 D173 R174 R180 F181	F67-E177 WeakPolarHBondContact CE1-OE1 3.24Å; C87-E177 PolarHBondContact SG-O 3.34Å; C87-E177 VanDerWaalsContact SG-O 3.36Å; D173-E177 WeakPolarHBondContact O-CG 3.4Å; D173-E177 PolarHBondContact O-N 3.36Å; R174-E177 IonicContact CZ-OE2 2.69Å; R174-E177 IonicContact NH1-OE2 3.67Å; R174-E177 PolarHBondContact NH1-OE2 3.38Å; R174-E177 PolarHBondContact O-N 3.32Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-F181 PolarHBondContact O-N 3.32Å; E177-F181 VanDerWaalsContact O-N 3.1Å
178	L	95.3	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-50	179.4	-175.9	60.8	0	0	0	111.5	V116 Y120 L129 R174 L175 R180 F181 M182 L207 I210 V211	V116-L178 HydrophobicContact CG1-CD1 4.21Å; Y120-L178 HydrophobicContact CD1-CD2 4.1Å; Y120-L178 HydrophobicContact CD2-CD1 3.88Å; Y120-L178 HydrophobicContact CE1-CB 4.15Å; Y120-L178 HydrophobicContact CE1-CD2 4.21Å; Y120-L178 HydrophobicContact CE2-CB 4.24Å; Y120-L178 HydrophobicContact CE2-CD1 3.83Å; Y120-L178 HydrophobicContact CE2-CG 4.47Å; Y120-L178 HydrophobicContact CG-CD1 4.39Å; Y120-L178 HydrophobicContact CG-CD2 4.29Å; L129-L178 HydrophobicContact CD1-CD2 3.68Å; R174-L178 WeakPolarHBondContact O-CB 3.44Å; R174-L178 PolarHBondContact O-N 2.89Å; L175-L178 PolarHBondContact O-N 3Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.94Å; L178-F181 WeakPolarHBondContact O-CB 3.33Å; L178-F181 PolarHBondContact O-N 3.4Å; L178-F181 VanDerWaalsContact O-N 3.13Å; L178-M182 HydrophobicContact CD1-CG 4.36Å; L178-M182 HydrophobicContact CD2-SD 4.43Å; L178-M182 HydrophobicContact CG-CG 4.27Å; L178-M182 HydrophobicContact CG-SD 3.94Å; L178-M182 WeakPolarHBondContact O-CB 3.46Å; L178-M182 WeakPolarHBondContact O-CG 3.44Å; L178-M182 PolarHBondContact O-N 3.14Å; L178-L207 HydrophobicContact CD1-CD1 4.05Å; L178-I210 HydrophobicContact CD2-CG2 4.11Å; L178-V211 HydrophobicContact CD2-CG2 4.26Å
179	L	95.6	Very high	91.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-36.8	179.8	-74.1	174.3	0	0	0	112.1	L175 M182 H183 L226 V229 V230 F233	L175-L179 HydrophobicContact CD1-CD1 4.07Å; L175-L179 HydrophobicContact CD1-CD2 4.5Å; L175-L179 HydrophobicContact CD1-CG 3.95Å; L175-L179 HydrophobicContact CG-CD1 3.85Å; L175-L179 HydrophobicContact CG-CG 4.2Å; L175-L179 VanDerWaalsContact O-CB 3.31Å; L175-L179 WeakPolarHBondContact O-CB 3.47Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.14Å; L179-M182 HydrophobicContact CD2-SD 4.18Å; L179-M182 PolarHBondContact O-N 3.43Å; L179-H183 VanDerWaalsContact O-CB 3.3Å; L179-H183 WeakPolarHBondContact O-CB 3.32Å; L179-H183 PolarHBondContact O-N 3.4Å; L179-L226 HydrophobicContact CD2-CD1 3.88Å; L179-V229 HydrophobicContact CD1-CG1 3.77Å; L179-V229 HydrophobicContact CD2-CG1 3.98Å; L179-V229 HydrophobicContact CG-CG1 4.48Å; L179-V230 HydrophobicContact CD2-CG2 4.21Å; L179-F233 HydrophobicContact CB-CD2 3.81Å; L179-F233 HydrophobicContact CB-CE2 3.73Å
180	R	94.7	Very high	91.3	Very high	101 Å²	101	48 Å²	48	38%	0.381	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-45.7	174.5	-170.6	177.6	-178.8	-169.2	-2.3	111.5	L83 M176 E177 L178 H183 Y184 F233	L83-R180 HydrophobicContact CD2-CG 3.95Å; M176-R180 WeakPolarHBondContact O-CB 3.22Å; M176-R180 PolarHBondContact O-N 3.47Å; E177-R180 PolarHBondContact O-N 3.02Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.94Å; R180-H183 PolarHBondContact O-N 3.29Å; R180-Y184 PolarHBondContact O-N 3.17Å; R180-Y184 VanDerWaalsContact O-N 3.1Å; R180-F233 HydrophobicContact CB-CE1 3.85Å; R180-F233 HydrophobicContact CB-CE2 4Å; R180-F233 HydrophobicContact CB-CZ 3.42Å; R180-F233 VanDerWaalsContact CB-CZ 3.42Å; R180-F233 HydrophobicContact CG-CE1 3.76Å; R180-F233 HydrophobicContact CG-CZ 3.83Å
181	F	95.6	Very high	91.2	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-46.1	175.8	177.3	-117.3	0	0	0	111.2	W80 L83 A84 C87 Y113 V116 E177 L178 H183 Y184 V185	W80-F181 AromaticContact CD1-CE2 3.82Å; W80-F181 HydrophobicContact CG-CE2 4.4Å; W80-F181 AromaticContact NE1-CE2 3.81Å; W80-F181 AromaticContact NE1-CZ 3.81Å; L83-F181 HydrophobicContact CB-CB 4.49Å; L83-F181 HydrophobicContact CB-CD2 3.88Å; A84-F181 HydrophobicContact CB-CD2 4.17Å; A84-F181 HydrophobicContact CB-CE2 3.61Å; A84-F181 HydrophobicContact CB-CZ 3.91Å; C87-F181 VanDerWaalsContact SG-CB 3.57Å; Y113-F181 AromaticContact CD2-CE1 3.79Å; Y113-F181 HydrophobicContact CD2-CE1 3.79Å; Y113-F181 AromaticContact CD2-CZ 3.94Å; Y113-F181 HydrophobicContact CD2-CZ 3.94Å; Y113-F181 HydrophobicContact CE2-CE1 4.31Å; V116-F181 HydrophobicContact CB-CE1 4.08Å; V116-F181 HydrophobicContact CG1-CD1 3.94Å; V116-F181 HydrophobicContact CG1-CE1 3.92Å; V116-F181 HydrophobicContact CG2-CE1 4.16Å; V116-F181 HydrophobicContact CG2-CZ 4.43Å; E177-F181 PolarHBondContact O-N 3.32Å; E177-F181 VanDerWaalsContact O-N 3.1Å; L178-F181 WeakPolarHBondContact O-CB 3.33Å; L178-F181 PolarHBondContact O-N 3.4Å; L178-F181 VanDerWaalsContact O-N 3.13Å; F181-H183 VanDerWaalsContact C-N 3.34Å; F181-H183 PolarHBondContact O-N 2.97Å; F181-Y184 PolarHBondContact O-N 3.29Å; F181-V185 HydrophobicContact CD1-CG2 4.48Å; F181-V185 HydrophobicContact CD2-CG2 3.98Å; F181-V185 HydrophobicContact CE1-CG2 4.14Å; F181-V185 HydrophobicContact CE2-CG2 3.57Å; F181-V185 HydrophobicContact CG-CG2 4.42Å; F181-V185 HydrophobicContact CZ-CG2 3.67Å; F181-V185 VanDerWaalsContact O-CG2 3.29Å; F181-V185 WeakPolarHBondContact O-CG2 3.48Å; F181-V185 PolarHBondContact O-N 3.48Å
182	M	96.5	Very high	91	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-46.3	175.8	-69.6	179.6	70	0	0	112.4	L178 L179 V185 A186 V203 L207 L226 V230	L178-M182 HydrophobicContact CD1-CG 4.36Å; L178-M182 HydrophobicContact CD2-SD 4.43Å; L178-M182 HydrophobicContact CG-CG 4.27Å; L178-M182 HydrophobicContact CG-SD 3.94Å; L178-M182 WeakPolarHBondContact O-CB 3.46Å; L178-M182 WeakPolarHBondContact O-CG 3.44Å; L178-M182 PolarHBondContact O-N 3.14Å; L179-M182 HydrophobicContact CD2-SD 4.18Å; L179-M182 PolarHBondContact O-N 3.43Å; M182-V185 PolarHBondContact O-N 3.19Å; M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 3.16Å; M182-V203 HydrophobicContact CB-CG1 3.49Å; M182-V203 VanDerWaalsContact CB-CG1 3.49Å; M182-V203 HydrophobicContact CE-CG1 3.39Å; M182-V203 HydrophobicContact CG-CG1 3.58Å; M182-V203 HydrophobicContact SD-CG1 4.32Å; M182-L207 HydrophobicContact CE-CB 3.92Å; M182-L207 HydrophobicContact CE-CD1 3.99Å; M182-L207 HydrophobicContact CG-CD1 3.4Å; M182-L207 VanDerWaalsContact CG-CD1 3.4Å; M182-L207 HydrophobicContact SD-CB 4.06Å; M182-L207 HydrophobicContact SD-CD1 3.67Å; M182-L226 HydrophobicContact CE-CD1 4.11Å; M182-L226 HydrophobicContact CE-CD2 4.14Å; M182-L226 HydrophobicContact CE-CG 4.22Å; M182-V230 HydrophobicContact CB-CG1 4.4Å; M182-V230 HydrophobicContact CB-CG2 4.04Å; M182-V230 HydrophobicContact CE-CG2 3.83Å
183	H	95.5	Very high	91	Very high	43 Å²	43	49.3 Å²	49.3	20%	0.199	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-50.3	177	171	73.4	0	0	0	111.5	L179 R180 F181 V185 A186 A187 V230 F233 D234	L179-H183 VanDerWaalsContact O-CB 3.3Å; L179-H183 WeakPolarHBondContact O-CB 3.32Å; L179-H183 PolarHBondContact O-N 3.4Å; R180-H183 PolarHBondContact O-N 3.29Å; F181-H183 VanDerWaalsContact C-N 3.34Å; F181-H183 PolarHBondContact O-N 2.97Å; H183-V185 PolarHBondContact O-N 2.8Å; H183-A186 PolarHBondContact O-N 2.73Å; H183-A187 WeakPolarHBondContact O-CB 3.34Å; H183-A187 PolarHBondContact O-N 3.38Å; H183-A187 VanDerWaalsContact O-N 3.07Å; H183-V230 PolarHBondContact ND1-O 3.42Å; H183-F233 HydrophobicContact CB-CB 3.7Å; H183-F233 HydrophobicContact CB-CD1 4.16Å; H183-F233 HydrophobicContact CB-CG 3.87Å; H183-D234 IonicContact NE2-OD2 2.69Å
184	Y	95	Very high	90.9	Very high	48 Å²	48	47.4 Å²	47.4	19%	0.188	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-46.1	179.7	-174.7	-90.1	0	0	0	112.2	P79 W80 L83 R180 F181 A187 K188	P79-Y184 HydrophobicContact CB-CE1 4.39Å; P79-Y184 HydrophobicContact CB-CE2 3.85Å; P79-Y184 WeakPolarHBondContact CB-OH 3.2Å; W80-Y184 HydrophobicContact CB-CD1 4.29Å; W80-Y184 HydrophobicContact CB-CE1 3.77Å; W80-Y184 HydrophobicContact CE3-CD1 4.27Å; W80-Y184 HydrophobicContact CE3-CE1 4.1Å; W80-Y184 HydrophobicContact CG-CE1 4.46Å; L83-Y184 VanDerWaalsContact CD1-CB 3.47Å; L83-Y184 HydrophobicContact CD1-CD1 4.1Å; L83-Y184 HydrophobicContact CD1-CD2 3.9Å; L83-Y184 HydrophobicContact CD1-CG 3.54Å; R180-Y184 PolarHBondContact O-N 3.17Å; R180-Y184 VanDerWaalsContact O-N 3.1Å; F181-Y184 PolarHBondContact O-N 3.29Å; Y184-A187 PolarHBondContact O-N 2.67Å; Y184-K188 HydrophobicContact CE1-CG 4.18Å; Y184-K188 VanDerWaalsContact CZ-CE 3.48Å; Y184-K188 WeakPolarHBondContact O-CG 3.28Å; Y184-K188 PolarHBondContact O-N 3.28Å; Y184-K188 WeakPolarHBondContact OH-CE 3.44Å
185	V	95.1	Very high	90.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-44.6	178.5	171.2	0	0	0	0	111.4	W80 Y113 F181 M182 H183 A187 K188 L193 N199 V203	W80-V185 HydrophobicContact CD2-CG2 3.91Å; W80-V185 HydrophobicContact CE3-CG2 4.12Å; W80-V185 HydrophobicContact CH2-CB 4.03Å; W80-V185 HydrophobicContact CH2-CG1 3.43Å; W80-V185 VanDerWaalsContact CH2-CG1 3.43Å; W80-V185 HydrophobicContact CH2-CG2 3.87Å; W80-V185 HydrophobicContact CZ2-CB 4.18Å; W80-V185 HydrophobicContact CZ2-CG1 3.68Å; W80-V185 HydrophobicContact CZ2-CG2 3.57Å; W80-V185 HydrophobicContact CZ3-CB 4.25Å; W80-V185 HydrophobicContact CZ3-CG1 4.06Å; W80-V185 HydrophobicContact CZ3-CG2 4.1Å; Y113-V185 HydrophobicContact CD2-CG1 4.46Å; Y113-V185 HydrophobicContact CE2-CG1 4.36Å; F181-V185 HydrophobicContact CD1-CG2 4.48Å; F181-V185 HydrophobicContact CD2-CG2 3.98Å; F181-V185 HydrophobicContact CE1-CG2 4.14Å; F181-V185 HydrophobicContact CE2-CG2 3.57Å; F181-V185 HydrophobicContact CG-CG2 4.42Å; F181-V185 HydrophobicContact CZ-CG2 3.67Å; F181-V185 VanDerWaalsContact O-CG2 3.29Å; F181-V185 WeakPolarHBondContact O-CG2 3.48Å; F181-V185 PolarHBondContact O-N 3.48Å; M182-V185 PolarHBondContact O-N 3.19Å; H183-V185 PolarHBondContact O-N 2.8Å; V185-A187 VanDerWaalsContact C-N 3.29Å; V185-A187 PolarHBondContact O-N 2.74Å; V185-K188 PolarHBondContact O-N 3.48Å; V185-L193 HydrophobicContact CG1-CD1 4.04Å; V185-N199 HydrophobicContact CG1-CB 4.25Å; V185-N199 VanDerWaalsContact O-CB 3.3Å; V185-N199 WeakPolarHBondContact O-CB 3.35Å; V185-N199 PolarHBondContact O-ND2 2.77Å; V185-V203 HydrophobicContact CB-CG2 3.95Å; V185-V203 HydrophobicContact CG1-CG2 3.35Å
186	A	94.6	Very high	90.2	Very high	17 Å²	17	57.4 Å²	57.4	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-34.1	-179.2	0	0	0	0	0	112.7	M182 H183 K188 E200 V230	M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 3.16Å; H183-A186 PolarHBondContact O-N 2.73Å; A186-K188 VanDerWaalsContact C-N 3.3Å; A186-K188 PolarHBondContact O-N 2.92Å; A186-E200 HydrophobicContact CB-CB 4.06Å; A186-E200 HydrophobicContact CB-CG 4.22Å; A186-V230 HydrophobicContact CB-CG1 3.84Å
187	A	93.3	Very high	90.1	Very high	67 Å²	67	59.4 Å²	59.4	55%	0.554	31%	0.313	S	S	*	.	H	α-helix	trans	-75.8	-13.7	179.5	0	0	0	0	0	114.3	H183 Y184 V185 E189	H183-A187 WeakPolarHBondContact O-CB 3.34Å; H183-A187 PolarHBondContact O-N 3.38Å; H183-A187 VanDerWaalsContact O-N 3.07Å; Y184-A187 PolarHBondContact O-N 2.67Å; V185-A187 VanDerWaalsContact C-N 3.29Å; V185-A187 PolarHBondContact O-N 2.74Å; A187-E189 PolarHBondContact O-N 3.11Å
188	K	90.6	Very high	90.1	Very high	72 Å²	72	61.2 Å²	61.2	31%	0.313	33%	0.327	S	S	.	.			trans	-87.7	97.9	177.9	-70.3	-65.6	-177.4	-178.5	0	110.2	W80 Y184 V185 A186 N199	W80-K188 HydrophobicContact CE3-CG 4.3Å; W80-K188 HydrophobicContact CZ3-CB 3.99Å; W80-K188 HydrophobicContact CZ3-CG 4.23Å; Y184-K188 HydrophobicContact CE1-CG 4.18Å; Y184-K188 VanDerWaalsContact CZ-CE 3.48Å; Y184-K188 WeakPolarHBondContact O-CG 3.28Å; Y184-K188 PolarHBondContact O-N 3.28Å; Y184-K188 WeakPolarHBondContact OH-CE 3.44Å; V185-K188 PolarHBondContact O-N 3.48Å; A186-K188 VanDerWaalsContact C-N 3.3Å; A186-K188 PolarHBondContact O-N 2.92Å; K188-N199 PolarHBondContact O-ND2 3.47Å
189	E	82.8	Confident	90.1	Very high	161 Å²	161	61.4 Å²	61.4	75%	0.752	33%	0.328	S	S	*	.	S	Bend	trans	-82.2	-29.9	178.5	-63.7	-174.2	174.2	0	0	112.9	A187 L192	A187-E189 PolarHBondContact O-N 3.11Å; E189-L192 WeakPolarHBondContact O-CD2 3.41Å
190	D	80.6	Confident	90	Very high	155 Å²	155	64.4 Å²	64.4	83%	0.829	34%	0.342	S	S	*	.	S	Bend	trans	-75.3	-25.9	-176.1	-56.3	-48.2	0	0	0	113.6
191	D	80.6	Confident	89.9	Confident	54 Å²	54	62.6 Å²	62.6	29%	0.289	34%	0.34	S	S	.	.	S	Bend	trans	-110.3	68.9	-173.6	-70.5	-59	0	0	0	111	R109 L193 N199	R109-D191 IonicContact CZ-OD2 2.93Å; R109-D191 IonicContact NH1-OD1 3.37Å; R109-D191 PolarHBondContact NH1-OD1 2.97Å; R109-D191 IonicContact NH1-OD2 2.68Å; R109-D191 PolarHBondContact NH1-OD2 2.8Å; D191-L193 PolarHBondContact O-N 3.36Å; D191-N199 PolarHBondContact O-ND2 3.15Å
192	L	83.4	Confident	89.9	Confident	87 Å²	87	63.6 Å²	63.6	46%	0.455	35%	0.345	S	S	.	.			trans	-69.9	129.7	-174.5	-62.6	177.5	0	0	0	112.9	E189 S194 N199	E189-L192 WeakPolarHBondContact O-CD2 3.41Å; L192-S194 PolarHBondContact O-N 2.9Å; L192-N199 WeakPolarHBondContact CA-OD1 3.39Å
193	L	86.8	Confident	89.8	Confident	15 Å²	15	63.6 Å²	63.6	8%	0.079	35%	0.345	C	S	.	.	S	Bend	trans	-63.6	-28.9	170.3	-73.6	174.7	0	0	0	112.6	W80 K110 Y113 V185 D191 N199 I202	W80-L193 HydrophobicContact CH2-CD2 4.2Å; W80-L193 HydrophobicContact CH2-CG 4.17Å; W80-L193 HydrophobicContact CZ2-CD1 4.47Å; W80-L193 HydrophobicContact CZ2-CD2 3.84Å; W80-L193 HydrophobicContact CZ2-CG 4.21Å; K110-L193 HydrophobicContact CB-CD2 4.25Å; K110-L193 HydrophobicContact CG-CD2 4.33Å; K110-L193 PolarHBondContact NZ-O 3.38Å; Y113-L193 HydrophobicContact CD1-CD1 4Å; Y113-L193 HydrophobicContact CD1-CD2 4.33Å; Y113-L193 HydrophobicContact CD2-CD1 3.84Å; Y113-L193 HydrophobicContact CE1-CD1 3.93Å; Y113-L193 HydrophobicContact CE2-CD1 3.78Å; Y113-L193 HydrophobicContact CG-CD1 3.96Å; Y113-L193 HydrophobicContact CG-CD2 4.11Å; V185-L193 HydrophobicContact CG1-CD1 4.04Å; D191-L193 PolarHBondContact O-N 3.36Å; L193-N199 WeakPolarHBondContact CB-OD1 3.44Å; L193-N199 WeakPolarHBondContact CG-OD1 3.14Å; L193-N199 PolarHBondContact N-OD1 3.37Å; L193-I202 HydrophobicContact CB-CD1 3.73Å; L193-I202 HydrophobicContact CD1-CB 4.49Å; L193-I202 HydrophobicContact CD1-CG2 3.91Å
194	S	85.6	Confident	89.8	Confident	41 Å²	41	61.6 Å²	61.6	29%	0.287	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-143.9	138.1	175.8	-173.8	0	0	0	0	110.5	L192 S196 T197	L192-S194 PolarHBondContact O-N 2.9Å; S194-S196 PolarHBondContact O-N 2.92Å; S194-S196 VanDerWaalsContact O-N 3.15Å; S194-S196 PolarHBondContact OG-N 2.73Å; S194-S196 PolarHBondContact OG-OG 3.47Å; S194-T197 PolarHBondContact O-N 2.78Å; S194-T197 VanDerWaalsContact O-O 3.1Å
195	Q	82.5	Confident	89.7	Confident	196 Å²	196	65.9 Å²	65.9	92%	0.916	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.3	176.4	-65.5	177.9	-5.6	0	0	113.5
196	S	87.1	Confident	89.7	Confident	97 Å²	97	67.5 Å²	67.5	68%	0.678	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-10	-173.7	60.1	0	0	0	0	114.9	S194	S194-S196 PolarHBondContact O-N 2.92Å; S194-S196 VanDerWaalsContact O-N 3.15Å; S194-S196 PolarHBondContact OG-N 2.73Å; S194-S196 PolarHBondContact OG-OG 3.47Å
197	T	88.9	Confident	89.6	Confident	58 Å²	58	66.8 Å²	66.8	36%	0.356	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-156.4	142.7	-169	-57.6	0	0	0	0	110.8	S194 N201 I202	S194-T197 PolarHBondContact O-N 2.78Å; S194-T197 VanDerWaalsContact O-O 3.1Å; T197-N201 HydrophobicContact CG2-CB 3.43Å; T197-N201 VanDerWaalsContact CG2-CB 3.43Å; T197-I202 HydrophobicContact CG2-CG1 3.98Å
198	T	92.5	Very high	89.7	Confident	72 Å²	72	64 Å²	64	44%	0.442	33%	0.334	S	S	.	.			trans	-63.1	149.7	176.4	62.7	0	0	0	0	112.1	E200 N201 I202	T198-E200 VanDerWaalsContact C-N 3.26Å; T198-E200 PolarHBondContact O-N 2.96Å; T198-N201 PolarHBondContact O-N 3.11Å; T198-N201 VanDerWaalsContact O-N 3.11Å; T198-N201 PolarHBondContact OG1-ND2 2.93Å; T198-I202 WeakPolarHBondContact O-CG1 3.38Å; T198-I202 PolarHBondContact O-N 3.4Å; T198-I202 VanDerWaalsContact O-N 3.15Å
199	N	93.9	Very high	89.7	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-56.8	-40.1	177.8	-77.7	-13.8	0	0	0	112.5	V185 K188 D191 L192 L193 N201 I202 V203	V185-N199 HydrophobicContact CG1-CB 4.25Å; V185-N199 VanDerWaalsContact O-CB 3.3Å; V185-N199 WeakPolarHBondContact O-CB 3.35Å; V185-N199 PolarHBondContact O-ND2 2.77Å; K188-N199 PolarHBondContact O-ND2 3.47Å; D191-N199 PolarHBondContact O-ND2 3.15Å; L192-N199 WeakPolarHBondContact CA-OD1 3.39Å; L193-N199 WeakPolarHBondContact CB-OD1 3.44Å; L193-N199 WeakPolarHBondContact CG-OD1 3.14Å; L193-N199 PolarHBondContact N-OD1 3.37Å; N199-N201 VanDerWaalsContact C-N 3.33Å; N199-N201 PolarHBondContact O-N 3.08Å; N199-I202 PolarHBondContact O-N 2.69Å; N199-V203 VanDerWaalsContact O-CB 3.28Å; N199-V203 WeakPolarHBondContact O-CB 3.48Å; N199-V203 WeakPolarHBondContact O-CG2 3.48Å; N199-V203 PolarHBondContact O-N 3.48Å
200	E	94	Very high	90.2	Very high	65 Å²	65	56 Å²	56	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-54.6	-47.3	175.2	-169.8	-158.9	135.2	0	0	112.4	A186 T198 V203 V204 R227	A186-E200 HydrophobicContact CB-CB 4.06Å; A186-E200 HydrophobicContact CB-CG 4.22Å; T198-E200 VanDerWaalsContact C-N 3.26Å; T198-E200 PolarHBondContact O-N 2.96Å; E200-V203 PolarHBondContact O-N 3.46Å; E200-V204 WeakPolarHBondContact O-CB 3Å; E200-V204 VanDerWaalsContact O-CG2 3.29Å; E200-V204 WeakPolarHBondContact O-CG2 3.16Å; E200-V204 PolarHBondContact O-N 2.96Å; E200-R227 WeakPolarHBondContact OE1-CD 3.29Å; E200-R227 WeakPolarHBondContact OE1-CG 3Å; E200-R227 IonicContact OE1-CZ 2.77Å; E200-R227 IonicContact OE1-NE 3.9Å; E200-R227 PolarHBondContact OE1-NE 3.43Å
201	N	93.6	Very high	90.8	Very high	63 Å²	63	48.7 Å²	48.7	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-67.6	-37.8	-179.3	-81	-39.6	0	0	0	112.1	T197 T198 N199 K205 R227	T197-N201 HydrophobicContact CG2-CB 3.43Å; T197-N201 VanDerWaalsContact CG2-CB 3.43Å; T198-N201 PolarHBondContact O-N 3.11Å; T198-N201 VanDerWaalsContact O-N 3.11Å; T198-N201 PolarHBondContact OG1-ND2 2.93Å; N199-N201 VanDerWaalsContact C-N 3.33Å; N199-N201 PolarHBondContact O-N 3.08Å; N201-K205 WeakPolarHBondContact O-CB 3.38Å; N201-K205 PolarHBondContact O-N 3.49Å; N201-R227 PolarHBondContact OD1-NH2 3.49Å
202	I	94.3	Very high	91.4	Very high	21 Å²	21	46.2 Å²	46.2	11%	0.108	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-52.9	176.1	-64.6	166.8	0	0	0	109.5	Y113 L193 T197 T198 N199 V204 K205 D206	Y113-I202 HydrophobicContact CE1-CG2 4.38Å; L193-I202 HydrophobicContact CB-CD1 3.73Å; L193-I202 HydrophobicContact CD1-CB 4.49Å; L193-I202 HydrophobicContact CD1-CG2 3.91Å; T197-I202 HydrophobicContact CG2-CG1 3.98Å; T198-I202 WeakPolarHBondContact O-CG1 3.38Å; T198-I202 PolarHBondContact O-N 3.4Å; T198-I202 VanDerWaalsContact O-N 3.15Å; N199-I202 PolarHBondContact O-N 2.69Å; I202-V204 PolarHBondContact O-N 3.42Å; I202-K205 PolarHBondContact O-N 3.5Å; I202-D206 VanDerWaalsContact O-CB 3.26Å; I202-D206 WeakPolarHBondContact O-CB 3.49Å; I202-D206 PolarHBondContact O-N 2.95Å
203	V	95.1	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.6	-51.1	179.9	166.1	0	0	0	0	112	Y113 M182 V185 N199 E200 L207	Y113-V203 HydrophobicContact CE2-CG2 4.02Å; M182-V203 HydrophobicContact CB-CG1 3.49Å; M182-V203 VanDerWaalsContact CB-CG1 3.49Å; M182-V203 HydrophobicContact CE-CG1 3.39Å; M182-V203 HydrophobicContact CG-CG1 3.58Å; M182-V203 HydrophobicContact SD-CG1 4.32Å; V185-V203 HydrophobicContact CB-CG2 3.95Å; V185-V203 HydrophobicContact CG1-CG2 3.35Å; N199-V203 VanDerWaalsContact O-CB 3.28Å; N199-V203 WeakPolarHBondContact O-CB 3.48Å; N199-V203 WeakPolarHBondContact O-CG2 3.48Å; N199-V203 PolarHBondContact O-N 3.48Å; E200-V203 PolarHBondContact O-N 3.46Å; V203-L207 HydrophobicContact CG1-CD1 4.23Å; V203-L207 WeakPolarHBondContact O-CB 3.22Å; V203-L207 PolarHBondContact O-N 2.8Å; V203-L207 VanDerWaalsContact O-N 3.13Å
204	V	95.1	Very high	91.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-40.9	179.5	171.8	0	0	0	0	110.6	E200 I202 L208 R223 L226 R227	E200-V204 WeakPolarHBondContact O-CB 3Å; E200-V204 VanDerWaalsContact O-CG2 3.29Å; E200-V204 WeakPolarHBondContact O-CG2 3.16Å; E200-V204 PolarHBondContact O-N 2.96Å; I202-V204 PolarHBondContact O-N 3.42Å; V204-L208 WeakPolarHBondContact O-CB 3.48Å; V204-L208 PolarHBondContact O-N 3.15Å; V204-R223 HydrophobicContact CG1-CG 3.66Å; V204-L226 HydrophobicContact CG1-CD2 4.39Å; V204-R227 HydrophobicContact CG2-CB 4.23Å
205	K	93.8	Very high	91.9	Very high	139 Å²	139	55.4 Å²	55.4	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-66	-47.9	179.7	177.4	-172.6	171	-173.9	0	112	N201 I202	N201-K205 WeakPolarHBondContact O-CB 3.38Å; N201-K205 PolarHBondContact O-N 3.49Å; I202-K205 PolarHBondContact O-N 3.5Å
206	D	93.7	Very high	92.2	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-76.2	-32.2	-169.2	-82.2	17.3	0	0	0	112.6	K117 I202	K117-D206 HydrophobicContact CD-CB 4.22Å; K117-D206 VanDerWaalsContact NZ-CG 3.27Å; K117-D206 IonicContact NZ-OD1 3.83Å; K117-D206 IonicContact NZ-OD2 3.42Å; K117-D206 PolarHBondContact NZ-OD2 3.31Å; I202-D206 VanDerWaalsContact O-CB 3.26Å; I202-D206 WeakPolarHBondContact O-CB 3.49Å; I202-D206 PolarHBondContact O-N 2.95Å
207	L	94	Very high	92.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-104	-7.6	-173.7	-54.7	172	0	0	0	113.1	K117 L178 M182 V203 S209 I210 V211	K117-L207 HydrophobicContact CB-CD2 4.24Å; K117-L207 HydrophobicContact CG-CD2 4.21Å; L178-L207 HydrophobicContact CD1-CD1 4.05Å; M182-L207 HydrophobicContact CE-CB 3.92Å; M182-L207 HydrophobicContact CE-CD1 3.99Å; M182-L207 HydrophobicContact CG-CD1 3.4Å; M182-L207 VanDerWaalsContact CG-CD1 3.4Å; M182-L207 HydrophobicContact SD-CB 4.06Å; M182-L207 HydrophobicContact SD-CD1 3.67Å; V203-L207 HydrophobicContact CG1-CD1 4.23Å; V203-L207 WeakPolarHBondContact O-CB 3.22Å; V203-L207 PolarHBondContact O-N 2.8Å; V203-L207 VanDerWaalsContact O-N 3.13Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 2.95Å; L207-I210 HydrophobicContact CD2-CD1 3.5Å; L207-I210 WeakPolarHBondContact O-CB 3.48Å; L207-I210 PolarHBondContact O-N 2.81Å; L207-I210 VanDerWaalsContact O-N 3.1Å; L207-V211 WeakPolarHBondContact O-CG2 3.21Å; L207-V211 PolarHBondContact O-N 3.12Å
208	L	94	Very high	92.5	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-54.9	-44.9	175.6	178.2	68.8	0	0	0	112.1	V204 I210 V211 V212 Q219 V222 R223 L226	V204-L208 WeakPolarHBondContact O-CB 3.48Å; V204-L208 PolarHBondContact O-N 3.15Å; L208-I210 PolarHBondContact O-N 3.37Å; L208-V211 PolarHBondContact O-N 3.49Å; L208-V212 HydrophobicContact CD1-CG1 4.29Å; L208-V212 PolarHBondContact O-N 2.83Å; L208-Q219 HydrophobicContact CD2-CG 4.46Å; L208-V222 HydrophobicContact CD1-CG1 3.92Å; L208-R223 HydrophobicContact CD2-CB 4.28Å; L208-L226 HydrophobicContact CB-CD2 4.09Å; L208-L226 HydrophobicContact CD1-CB 4.48Å; L208-L226 HydrophobicContact CD1-CD2 3.8Å
209	S	91.1	Very high	92.5	Very high	64 Å²	64	52.4 Å²	52.4	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-21.9	-178.6	57.7	0	0	0	0	113.4	R128 L207	R128-S209 WeakPolarHBondContact CD-O 3.28Å; R128-S209 PolarHBondContact NE-O 2.89Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 2.95Å
210	I	93.1	Very high	92.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-81.3	-44.4	175.4	-63.7	176.3	0	0	0	109.8	K117 Y120 E121 T124 L129 L178 L207 L208	K117-I210 HydrophobicContact CG-CD1 4.39Å; Y120-I210 HydrophobicContact CD1-CG2 4.15Å; Y120-I210 HydrophobicContact CG-CG2 4.23Å; E121-I210 HydrophobicContact CG-CD1 3.75Å; E121-I210 HydrophobicContact CG-CG1 3.91Å; T124-I210 HydrophobicContact CG2-CG2 3.92Å; L129-I210 HydrophobicContact CD1-CG2 4.21Å; L129-I210 PolarHBondContact N-O 3.39Å; L178-I210 HydrophobicContact CD2-CG2 4.11Å; L207-I210 HydrophobicContact CD2-CD1 3.5Å; L207-I210 WeakPolarHBondContact O-CB 3.48Å; L207-I210 PolarHBondContact O-N 2.81Å; L207-I210 VanDerWaalsContact O-N 3.1Å; L208-I210 PolarHBondContact O-N 3.37Å
211	V	93.7	Very high	92.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-46.1	-178	173	0	0	0	0	110.6	L129 I130 L175 L178 L207 L208 L226	L129-V211 PolarHBondContact N-O 3.48Å; I130-V211 WeakPolarHBondContact CB-O 3.15Å; I130-V211 HydrophobicContact CD1-CG1 3.72Å; I130-V211 HydrophobicContact CG1-CG1 4.13Å; I130-V211 PolarHBondContact N-O 2.94Å; L175-V211 HydrophobicContact CD1-CG1 4.06Å; L175-V211 HydrophobicContact CD1-CG2 4.06Å; L178-V211 HydrophobicContact CD2-CG2 4.26Å; L207-V211 WeakPolarHBondContact O-CG2 3.21Å; L207-V211 PolarHBondContact O-N 3.12Å; L208-V211 PolarHBondContact O-N 3.49Å; V211-L226 HydrophobicContact CG1-CD1 4.48Å; V211-L226 HydrophobicContact CG2-CD1 4.32Å; V211-L226 HydrophobicContact CG2-CD2 4.48Å
212	V	93.1	Very high	92.4	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.018	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-156.1	142.3	-171.7	56.5	0	0	0	0	112.3	I130 V135 I138 L208 V214 V222	I130-V212 HydrophobicContact CB-CB 4.21Å; I130-V212 HydrophobicContact CB-CG2 4.4Å; V135-V212 HydrophobicContact CG2-CG2 3.55Å; I138-V212 HydrophobicContact CD1-CG2 4.48Å; L208-V212 HydrophobicContact CD1-CG1 4.29Å; L208-V212 PolarHBondContact O-N 2.83Å; V212-V214 HydrophobicContact CB-CG2 4.37Å; V212-V214 HydrophobicContact CG1-CG2 3.67Å; V212-V214 HydrophobicContact CG2-CG2 4.13Å; V212-V222 HydrophobicContact CG1-CG1 3.4Å; V212-V222 VanDerWaalsContact CG1-CG1 3.4Å
213	K	90.8	Very high	92.5	Very high	146 Å²	146	59.9 Å²	59.9	64%	0.635	29%	0.287	S	S	*	.			trans	-87.2	113	172.9	-172.9	177.5	-178.4	179.8	0	108.7	R128	R128-K213 HydrophobicContact CG-CB 3.93Å
214	V	87.9	Confident	92.4	Very high	38 Å²	38	63.4 Å²	63.4	23%	0.23	30%	0.303	C	S	.	.			trans	-116.2	139.2	-174	-158.8	0	0	0	0	110.5	V135 V212 V222	V135-V214 HydrophobicContact CG1-CG1 4.43Å; V212-V214 HydrophobicContact CB-CG2 4.37Å; V212-V214 HydrophobicContact CG1-CG2 3.67Å; V212-V214 HydrophobicContact CG2-CG2 4.13Å; V214-V222 HydrophobicContact CG1-CB 4.08Å; V214-V222 HydrophobicContact CG1-CG2 3.68Å; V214-V222 HydrophobicContact CG2-CB 3.98Å; V214-V222 HydrophobicContact CG2-CG1 3.68Å; V214-V222 HydrophobicContact CG2-CG2 4.11Å
215	K	88.5	Confident	92.4	Very high	151 Å²	151	63.4 Å²	63.4	66%	0.657	30%	0.303	S	S	*	.			trans	-71.9	156.9	166.5	-65.3	179.6	-178.9	178.2	0	110	E217 S218 Q219	K215-E217 HydrophobicContact CB-CG 4.06Å; K215-E217 VanDerWaalsContact CD-OE1 3.29Å; K215-E217 WeakPolarHBondContact CD-OE1 3.26Å; K215-E217 PolarHBondContact O-N 2.75Å; K215-E217 VanDerWaalsContact O-N 3.15Å; K215-S218 PolarHBondContact O-N 3.44Å; K215-Q219 PolarHBondContact O-N 3.28Å
216	S	88.2	Confident	92.5	Very high	112 Å²	112	56.9 Å²	56.9	78%	0.783	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-54.5	-35.9	179.8	49	0	0	0	0	113	S218 Q219	S216-S218 PolarHBondContact O-N 2.94Å; S216-Q219 WeakPolarHBondContact O-CB 3.31Å; S216-Q219 PolarHBondContact O-N 3.14Å
217	E	91.1	Very high	92.6	Very high	137 Å²	137	58.4 Å²	58.4	64%	0.64	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-64.5	-33.1	-178.5	68.4	-167.5	161.7	0	0	114.7	K215	K215-E217 HydrophobicContact CB-CG 4.06Å; K215-E217 VanDerWaalsContact CD-OE1 3.29Å; K215-E217 WeakPolarHBondContact CD-OE1 3.26Å; K215-E217 PolarHBondContact O-N 2.75Å; K215-E217 VanDerWaalsContact O-N 3.15Å
218	S	91.9	Very high	92.6	Very high	20 Å²	20	59.4 Å²	59.4	14%	0.14	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-102.1	4	-179	-53.8	0	0	0	0	113.3	K215 S216 R220 E221 V222	K215-S218 PolarHBondContact O-N 3.44Å; S216-S218 PolarHBondContact O-N 2.94Å; S218-R220 VanDerWaalsContact C-N 3.25Å; S218-R220 PolarHBondContact O-N 3.32Å; S218-E221 WeakPolarHBondContact CA-OE2 3.45Å; S218-E221 PolarHBondContact O-N 3.03Å; S218-V222 VanDerWaalsContact O-CG2 3.28Å; S218-V222 WeakPolarHBondContact O-CG2 3.37Å; S218-V222 PolarHBondContact O-N 2.84Å
219	Q	92.5	Very high	92.7	Very high	91 Å²	91	59 Å²	59	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-32.3	-171.2	-168.1	179.2	13.8	0	0	112.3	L208 K215 S216 R223	L208-Q219 HydrophobicContact CD2-CG 4.46Å; K215-Q219 PolarHBondContact O-N 3.28Å; S216-Q219 WeakPolarHBondContact O-CB 3.31Å; S216-Q219 PolarHBondContact O-N 3.14Å; Q219-R223 WeakPolarHBondContact O-CB 3.06Å; Q219-R223 PolarHBondContact O-N 2.77Å; Q219-R223 VanDerWaalsContact O-N 3.11Å
220	R	92.4	Very high	92.9	Very high	191 Å²	191	56 Å²	56	72%	0.721	26%	0.259	S	S	*	.	H	α-helix	trans	-68.3	-49.6	179.2	179.4	-178.3	174.1	175.6	-2.5	110.9	S218 R223 F224	S218-R220 VanDerWaalsContact C-N 3.25Å; S218-R220 PolarHBondContact O-N 3.32Å; R220-R223 PolarHBondContact O-N 2.73Å; R220-F224 WeakPolarHBondContact O-CB 3.21Å; R220-F224 PolarHBondContact O-N 3.39Å
221	E	92.9	Very high	92.9	Very high	44 Å²	44	63.7 Å²	63.7	21%	0.206	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-49.3	-177.8	-66.5	75	-167.7	0	0	110.3	V139 T142 F146 S218 R223 F224 W225	V139-E221 HydrophobicContact CG1-CG 4.37Å; V139-E221 HydrophobicContact CG2-CB 4.15Å; T142-E221 HydrophobicContact CG2-CB 3.8Å; T142-E221 HydrophobicContact CG2-CG 4.14Å; T142-E221 PolarHBondContact OG1-O 3.4Å; F146-E221 HydrophobicContact CE2-CG 4.46Å; S218-E221 WeakPolarHBondContact CA-OE2 3.45Å; S218-E221 PolarHBondContact O-N 3.03Å; E221-R223 VanDerWaalsContact C-N 3.32Å; E221-R223 PolarHBondContact O-N 3.44Å; E221-F224 WeakPolarHBondContact O-CB 3.22Å; E221-F224 PolarHBondContact O-N 3.34Å; E221-F224 VanDerWaalsContact O-N 3.09Å; E221-W225 PolarHBondContact O-N 2.81Å
222	V	93.9	Very high	92.9	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-38	-179.1	-179.3	0	0	0	0	111.6	V135 I138 L208 V212 V214 S218 F224 W225 L226	V135-V222 HydrophobicContact CG1-CG2 4.08Å; I138-V222 HydrophobicContact CB-CG2 4.43Å; I138-V222 HydrophobicContact CG2-CB 4.21Å; I138-V222 HydrophobicContact CG2-CG1 4.19Å; I138-V222 HydrophobicContact CG2-CG2 3.85Å; L208-V222 HydrophobicContact CD1-CG1 3.92Å; V212-V222 HydrophobicContact CG1-CG1 3.4Å; V212-V222 VanDerWaalsContact CG1-CG1 3.4Å; V214-V222 HydrophobicContact CG1-CB 4.08Å; V214-V222 HydrophobicContact CG1-CG2 3.68Å; V214-V222 HydrophobicContact CG2-CB 3.98Å; V214-V222 HydrophobicContact CG2-CG1 3.68Å; V214-V222 HydrophobicContact CG2-CG2 4.11Å; S218-V222 VanDerWaalsContact O-CG2 3.28Å; S218-V222 WeakPolarHBondContact O-CG2 3.37Å; S218-V222 PolarHBondContact O-N 2.84Å; V222-F224 VanDerWaalsContact C-N 3.34Å; V222-W225 PolarHBondContact O-N 2.77Å; V222-L226 WeakPolarHBondContact O-CB 3.47Å; V222-L226 PolarHBondContact O-N 2.8Å
223	R	95	Very high	92.9	Very high	74 Å²	74	65.8 Å²	65.8	28%	0.279	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-41.2	173.2	-176.8	-173.4	-67	-101.5	1.5	111.5	V204 L208 Q219 R220 E221 L226 R227	V204-R223 HydrophobicContact CG1-CG 3.66Å; L208-R223 HydrophobicContact CD2-CB 4.28Å; Q219-R223 WeakPolarHBondContact O-CB 3.06Å; Q219-R223 PolarHBondContact O-N 2.77Å; Q219-R223 VanDerWaalsContact O-N 3.11Å; R220-R223 PolarHBondContact O-N 2.73Å; E221-R223 VanDerWaalsContact C-N 3.32Å; E221-R223 PolarHBondContact O-N 3.44Å; R223-L226 PolarHBondContact O-N 2.73Å; R223-R227 WeakPolarHBondContact O-CB 3.42Å; R223-R227 PolarHBondContact O-N 3.48Å; R223-R227 VanDerWaalsContact O-N 3.08Å
224	F	94.3	Very high	92.8	Very high	75 Å²	75	63.1 Å²	63.1	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-44.6	177.8	-176.5	-87.3	0	0	0	111.4	T142 L145 F146 R220 E221 V222 R227 F228	T142-F224 HydrophobicContact CG2-CB 4.08Å; T142-F224 HydrophobicContact CG2-CD1 3.61Å; T142-F224 HydrophobicContact CG2-CE1 4.46Å; T142-F224 HydrophobicContact CG2-CG 4.18Å; L145-F224 HydrophobicContact CB-CE1 3.75Å; L145-F224 HydrophobicContact CD1-CD1 4.15Å; L145-F224 HydrophobicContact CD1-CE1 3.75Å; L145-F224 HydrophobicContact CG-CE1 4.37Å; F146-F224 HydrophobicContact CD1-CZ 4.47Å; F146-F224 HydrophobicContact CE1-CD1 4.17Å; F146-F224 HydrophobicContact CE1-CD2 4.1Å; F146-F224 HydrophobicContact CE1-CE1 4.08Å; F146-F224 HydrophobicContact CE1-CE2 4.02Å; F146-F224 HydrophobicContact CE1-CG 4.17Å; F146-F224 HydrophobicContact CE1-CZ 4.01Å; F146-F224 HydrophobicContact CZ-CD1 4.23Å; F146-F224 HydrophobicContact CZ-CD2 4.44Å; F146-F224 HydrophobicContact CZ-CG 4.16Å; R220-F224 WeakPolarHBondContact O-CB 3.21Å; R220-F224 PolarHBondContact O-N 3.39Å; E221-F224 WeakPolarHBondContact O-CB 3.22Å; E221-F224 PolarHBondContact O-N 3.34Å; E221-F224 VanDerWaalsContact O-N 3.09Å; V222-F224 VanDerWaalsContact C-N 3.34Å; F224-R227 WeakPolarHBondContact O-CB 3.47Å; F224-R227 PolarHBondContact O-N 3.39Å; F224-F228 WeakPolarHBondContact O-CB 3.16Å; F224-F228 PolarHBondContact O-N 3.36Å
225	W	95	Very high	92.9	Very high	1 Å²	1	64 Å²	64	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-46.3	173.9	173.9	80.8	0	0	0	112.3	I130 I138 S160 L163 E221 V222 R227 F228 V229	I130-W225 HydrophobicContact CD1-CH2 3.53Å; I130-W225 HydrophobicContact CD1-CZ3 3.79Å; I138-W225 HydrophobicContact CD1-CE3 4.11Å; I138-W225 HydrophobicContact CD1-CH2 4.39Å; I138-W225 HydrophobicContact CD1-CZ3 4Å; I138-W225 HydrophobicContact CG1-CD2 4.27Å; I138-W225 HydrophobicContact CG1-CE3 4.27Å; I138-W225 HydrophobicContact CG1-CZ3 4.43Å; I138-W225 HydrophobicContact CG2-CB 3.6Å; I138-W225 HydrophobicContact CG2-CD2 3.63Å; I138-W225 HydrophobicContact CG2-CE3 3.79Å; I138-W225 HydrophobicContact CG2-CG 3.55Å; S160-W225 PolarHBondContact OG-NE1 3.31Å; L163-W225 HydrophobicContact CD2-CH2 4.18Å; L163-W225 HydrophobicContact CD2-CZ2 3.69Å; E221-W225 PolarHBondContact O-N 2.81Å; V222-W225 PolarHBondContact O-N 2.77Å; W225-R227 VanDerWaalsContact C-N 3.3Å; W225-R227 PolarHBondContact O-N 2.76Å; W225-F228 CarbonylContact O-C 3.5Å; W225-F228 WeakPolarHBondContact O-CA 3.2Å; W225-F228 WeakPolarHBondContact O-CB 3.22Å; W225-F228 PolarHBondContact O-N 2.98Å; W225-V229 HydrophobicContact CD2-CG2 3.91Å; W225-V229 HydrophobicContact CE3-CG2 4.49Å; W225-V229 HydrophobicContact CG-CG2 4.34Å; W225-V229 HydrophobicContact CH2-CG2 4.2Å; W225-V229 HydrophobicContact CZ2-CG2 3.57Å; W225-V229 WeakPolarHBondContact O-CG2 3.18Å; W225-V229 PolarHBondContact O-N 3.25Å
226	L	96.1	Very high	93	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-43.2	179	-178.7	57.8	0	0	0	111.3	L179 M182 V204 L208 V211 V222 R223 F228 V229 V230	L179-L226 HydrophobicContact CD2-CD1 3.88Å; M182-L226 HydrophobicContact CE-CD1 4.11Å; M182-L226 HydrophobicContact CE-CD2 4.14Å; M182-L226 HydrophobicContact CE-CG 4.22Å; V204-L226 HydrophobicContact CG1-CD2 4.39Å; L208-L226 HydrophobicContact CB-CD2 4.09Å; L208-L226 HydrophobicContact CD1-CB 4.48Å; L208-L226 HydrophobicContact CD1-CD2 3.8Å; V211-L226 HydrophobicContact CG1-CD1 4.48Å; V211-L226 HydrophobicContact CG2-CD1 4.32Å; V211-L226 HydrophobicContact CG2-CD2 4.48Å; V222-L226 WeakPolarHBondContact O-CB 3.47Å; V222-L226 PolarHBondContact O-N 2.8Å; R223-L226 PolarHBondContact O-N 2.73Å; L226-F228 VanDerWaalsContact C-N 3.34Å; L226-F228 PolarHBondContact O-N 3Å; L226-V229 PolarHBondContact O-N 3.32Å; L226-V230 HydrophobicContact CD1-CG2 4.26Å; L226-V230 WeakPolarHBondContact O-CB 3.07Å; L226-V230 VanDerWaalsContact O-CG2 3.22Å; L226-V230 WeakPolarHBondContact O-CG2 3.45Å; L226-V230 PolarHBondContact O-N 3.3Å
227	R	95.3	Very high	92.8	Very high	67 Å²	67	54.2 Å²	54.2	25%	0.253	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-45.7	172.6	175.1	176.4	-72.8	127.1	-5.3	111.8	E200 N201 V204 R223 F224 W225 V229 V230 K231	E200-R227 WeakPolarHBondContact OE1-CD 3.29Å; E200-R227 WeakPolarHBondContact OE1-CG 3Å; E200-R227 IonicContact OE1-CZ 2.77Å; E200-R227 IonicContact OE1-NE 3.9Å; E200-R227 PolarHBondContact OE1-NE 3.43Å; N201-R227 PolarHBondContact OD1-NH2 3.49Å; V204-R227 HydrophobicContact CG2-CB 4.23Å; R223-R227 WeakPolarHBondContact O-CB 3.42Å; R223-R227 PolarHBondContact O-N 3.48Å; R223-R227 VanDerWaalsContact O-N 3.08Å; F224-R227 WeakPolarHBondContact O-CB 3.47Å; F224-R227 PolarHBondContact O-N 3.39Å; W225-R227 VanDerWaalsContact C-N 3.3Å; W225-R227 PolarHBondContact O-N 2.76Å; R227-V229 PolarHBondContact O-N 3.06Å; R227-V230 PolarHBondContact O-N 2.75Å; R227-K231 WeakPolarHBondContact O-CB 3.45Å; R227-K231 PolarHBondContact O-N 2.95Å
228	F	94.5	Very high	92.2	Very high	21 Å²	21	55.9 Å²	55.9	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-44.5	176.9	170.4	-97.2	0	0	0	112.2	L145 A156 I157 F224 W225 L226 K231 N232	L145-F228 HydrophobicContact CD1-CB 3.95Å; L145-F228 HydrophobicContact CD1-CD1 3.8Å; L145-F228 HydrophobicContact CD1-CD2 3.81Å; L145-F228 HydrophobicContact CD1-CE1 4.19Å; L145-F228 HydrophobicContact CD1-CE2 4.21Å; L145-F228 HydrophobicContact CD1-CG 3.57Å; L145-F228 HydrophobicContact CD1-CZ 4.36Å; L145-F228 HydrophobicContact CD2-CD2 3.79Å; L145-F228 HydrophobicContact CD2-CE1 4.29Å; L145-F228 HydrophobicContact CD2-CE2 3.44Å; L145-F228 VanDerWaalsContact CD2-CE2 3.44Å; L145-F228 HydrophobicContact CD2-CG 4.34Å; L145-F228 HydrophobicContact CD2-CZ 3.69Å; L145-F228 HydrophobicContact CG-CD2 4.48Å; L145-F228 HydrophobicContact CG-CE2 4.49Å; A156-F228 HydrophobicContact CB-CE1 4.01Å; A156-F228 HydrophobicContact CB-CZ 3.84Å; I157-F228 HydrophobicContact CG1-CE1 4.24Å; I157-F228 HydrophobicContact CG1-CZ 3.72Å; F224-F228 WeakPolarHBondContact O-CB 3.16Å; F224-F228 PolarHBondContact O-N 3.36Å; W225-F228 CarbonylContact O-C 3.5Å; W225-F228 WeakPolarHBondContact O-CA 3.2Å; W225-F228 WeakPolarHBondContact O-CB 3.22Å; W225-F228 PolarHBondContact O-N 2.98Å; L226-F228 VanDerWaalsContact C-N 3.34Å; L226-F228 PolarHBondContact O-N 3Å; F228-K231 PolarHBondContact O-N 3.32Å; F228-N232 VanDerWaalsContact CD2-ND2 3.28Å; F228-N232 WeakPolarHBondContact CD2-ND2 3.29Å; F228-N232 VanDerWaalsContact CE2-ND2 3.34Å; F228-N232 WeakPolarHBondContact CE2-ND2 3.37Å; F228-N232 WeakPolarHBondContact O-CB 3.41Å; F228-N232 PolarHBondContact O-N 3.33Å; F228-N232 PolarHBondContact O-ND2 2.85Å
229	V	94.9	Very high	91	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-43.8	178.6	172.2	0	0	0	0	111.7	L179 W225 L226 R227 K231 N232 F233 I236	L179-V229 HydrophobicContact CD1-CG1 3.77Å; L179-V229 HydrophobicContact CD2-CG1 3.98Å; L179-V229 HydrophobicContact CG-CG1 4.48Å; W225-V229 HydrophobicContact CD2-CG2 3.91Å; W225-V229 HydrophobicContact CE3-CG2 4.49Å; W225-V229 HydrophobicContact CG-CG2 4.34Å; W225-V229 HydrophobicContact CH2-CG2 4.2Å; W225-V229 HydrophobicContact CZ2-CG2 3.57Å; W225-V229 WeakPolarHBondContact O-CG2 3.18Å; W225-V229 PolarHBondContact O-N 3.25Å; L226-V229 PolarHBondContact O-N 3.32Å; R227-V229 PolarHBondContact O-N 3.06Å; V229-K231 VanDerWaalsContact C-N 3.34Å; V229-K231 PolarHBondContact O-N 3.07Å; V229-N232 CarbonylContact O-C 3.53Å; V229-N232 PolarHBondContact O-N 3.47Å; V229-F233 VanDerWaalsContact O-CA 3.28Å; V229-F233 WeakPolarHBondContact O-CA 3.4Å; V229-F233 PolarHBondContact O-N 3.4Å; V229-I236 HydrophobicContact CB-CD1 3.96Å; V229-I236 HydrophobicContact CG1-CD1 3.84Å; V229-I236 HydrophobicContact CG2-CD1 3.84Å
230	V	95.2	Very high	90	Very high	3 Å²	3	52 Å²	52	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-42.8	176.9	171.3	0	0	0	0	110.9	L179 M182 H183 A186 L226 R227	L179-V230 HydrophobicContact CD2-CG2 4.21Å; M182-V230 HydrophobicContact CB-CG1 4.4Å; M182-V230 HydrophobicContact CB-CG2 4.04Å; M182-V230 HydrophobicContact CE-CG2 3.83Å; H183-V230 PolarHBondContact ND1-O 3.42Å; A186-V230 HydrophobicContact CB-CG1 3.84Å; L226-V230 HydrophobicContact CD1-CG2 4.26Å; L226-V230 WeakPolarHBondContact O-CB 3.07Å; L226-V230 VanDerWaalsContact O-CG2 3.22Å; L226-V230 WeakPolarHBondContact O-CG2 3.45Å; L226-V230 PolarHBondContact O-N 3.3Å; R227-V230 PolarHBondContact O-N 2.75Å
231	K	93.7	Very high	88.8	Confident	163 Å²	163	48.2 Å²	48.2	71%	0.709	22%	0.217	S	C	*	.	H	α-helix	trans	-68.4	-36.5	178.6	-174.3	174.3	179.7	176.4	0	112.8	R227 F228 V229	R227-K231 WeakPolarHBondContact O-CB 3.45Å; R227-K231 PolarHBondContact O-N 2.95Å; F228-K231 PolarHBondContact O-N 3.32Å; V229-K231 VanDerWaalsContact C-N 3.34Å; V229-K231 PolarHBondContact O-N 3.07Å
232	N	92.7	Very high	87.5	Confident	39 Å²	39	50 Å²	50	21%	0.209	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	24.6	-177.8	-63.6	-82.1	0	0	0	112.9	F228 V229 D234 S235 I236	F228-N232 VanDerWaalsContact CD2-ND2 3.28Å; F228-N232 WeakPolarHBondContact CD2-ND2 3.29Å; F228-N232 VanDerWaalsContact CE2-ND2 3.34Å; F228-N232 WeakPolarHBondContact CE2-ND2 3.37Å; F228-N232 WeakPolarHBondContact O-CB 3.41Å; F228-N232 PolarHBondContact O-N 3.33Å; F228-N232 PolarHBondContact O-ND2 2.85Å; V229-N232 CarbonylContact O-C 3.53Å; V229-N232 PolarHBondContact O-N 3.47Å; N232-D234 VanDerWaalsContact C-N 3.33Å; N232-D234 PolarHBondContact O-N 3.41Å; N232-S235 PolarHBondContact O-N 2.87Å; N232-S235 VanDerWaalsContact O-N 3.16Å; N232-I236 HydrophobicContact CB-CD1 4.31Å; N232-I236 WeakPolarHBondContact O-CG1 3.18Å; N232-I236 PolarHBondContact O-N 3.47Å
233	F	93.2	Very high	86.2	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-54	-47.4	-172.7	175.2	-97.1	0	0	0	112.4	M176 L179 R180 H183 V229 S235 I236 F237	M176-F233 HydrophobicContact CE-CE2 3.65Å; M176-F233 HydrophobicContact CE-CZ 3.99Å; L179-F233 HydrophobicContact CB-CD2 3.81Å; L179-F233 HydrophobicContact CB-CE2 3.73Å; R180-F233 HydrophobicContact CB-CE1 3.85Å; R180-F233 HydrophobicContact CB-CE2 4Å; R180-F233 HydrophobicContact CB-CZ 3.42Å; R180-F233 VanDerWaalsContact CB-CZ 3.42Å; R180-F233 HydrophobicContact CG-CE1 3.76Å; R180-F233 HydrophobicContact CG-CZ 3.83Å; H183-F233 HydrophobicContact CB-CB 3.7Å; H183-F233 HydrophobicContact CB-CD1 4.16Å; H183-F233 HydrophobicContact CB-CG 3.87Å; V229-F233 VanDerWaalsContact O-CA 3.28Å; V229-F233 WeakPolarHBondContact O-CA 3.4Å; V229-F233 PolarHBondContact O-N 3.4Å; F233-S235 PolarHBondContact O-N 3.46Å; F233-I236 PolarHBondContact O-N 3.4Å; F233-F237 HydrophobicContact CE1-CB 4.31Å; F233-F237 HydrophobicContact CZ-CB 4.19Å; F233-F237 HydrophobicContact CZ-CD1 4.46Å; F233-F237 HydrophobicContact CZ-CG 4.26Å; F233-F237 WeakPolarHBondContact O-CB 3.49Å; F233-F237 PolarHBondContact O-N 3.33Å
234	D	90.3	Very high	84.7	Confident	91 Å²	91	49.4 Å²	49.4	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-41.8	-178.8	-71.2	-32.6	0	0	0	112.7	H183 N232 R238	H183-D234 IonicContact NE2-OD2 2.69Å; N232-D234 VanDerWaalsContact C-N 3.33Å; N232-D234 PolarHBondContact O-N 3.41Å; D234-R238 WeakPolarHBondContact O-CB 3.37Å; D234-R238 PolarHBondContact O-N 2.8Å
235	S	89.3	Confident	83.4	Confident	55 Å²	55	47.5 Å²	47.5	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-67.4	-43.7	177.9	-59	0	0	0	0	111.3	Q161 N232 F233 A239	Q161-S235 PolarHBondContact NE2-O 3.45Å; N232-S235 PolarHBondContact O-N 2.87Å; N232-S235 VanDerWaalsContact O-N 3.16Å; F233-S235 PolarHBondContact O-N 3.46Å; S235-A239 PolarHBondContact O-N 2.82Å
236	I	89.9	Confident	82	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-48	176.6	-69.4	170.2	0	0	0	109.7	I157 Q161 L164 V229 N232 F233 L240	I157-I236 HydrophobicContact CG1-CG1 4.49Å; I157-I236 HydrophobicContact CG2-CG1 3.96Å; Q161-I236 HydrophobicContact CG-CB 4.34Å; Q161-I236 HydrophobicContact CG-CG2 3.91Å; Q161-I236 VanDerWaalsContact CG-O 3.28Å; Q161-I236 WeakPolarHBondContact CG-O 3.24Å; Q161-I236 PolarHBondContact NE2-O 3.48Å; L164-I236 HydrophobicContact CD1-CG2 3.67Å; V229-I236 HydrophobicContact CB-CD1 3.96Å; V229-I236 HydrophobicContact CG1-CD1 3.84Å; V229-I236 HydrophobicContact CG2-CD1 3.84Å; N232-I236 HydrophobicContact CB-CD1 4.31Å; N232-I236 WeakPolarHBondContact O-CG1 3.18Å; N232-I236 PolarHBondContact O-N 3.47Å; F233-I236 PolarHBondContact O-N 3.4Å; I236-L240 HydrophobicContact CG2-CD1 4.06Å; I236-L240 PolarHBondContact O-N 3.13Å; I236-L240 VanDerWaalsContact O-N 3.17Å
237	F	85.3	Confident	80.2	Confident	57 Å²	57	51.8 Å²	51.8	25%	0.25	25%	0.246	C	C	.	.	H	α-helix	trans	-72.2	-37.6	-175.4	-171.3	-128.4	0	0	0	113.8	M176 F233 A239 L240 R241	M176-F237 HydrophobicContact CE-CB 4.07Å; M176-F237 HydrophobicContact CE-CD2 3.06Å; M176-F237 HydrophobicContact CE-CE2 3.55Å; M176-F237 HydrophobicContact CE-CG 3.8Å; M176-F237 HydrophobicContact SD-CD2 4.46Å; F233-F237 HydrophobicContact CE1-CB 4.31Å; F233-F237 HydrophobicContact CZ-CB 4.19Å; F233-F237 HydrophobicContact CZ-CD1 4.46Å; F233-F237 HydrophobicContact CZ-CG 4.26Å; F233-F237 WeakPolarHBondContact O-CB 3.49Å; F233-F237 PolarHBondContact O-N 3.33Å; F237-A239 PolarHBondContact O-N 3.16Å; F237-L240 PolarHBondContact O-N 3.1Å; F237-R241 PolarHBondContact O-N 3.1Å
238	R	77.2	Confident	78.4	Confident	172 Å²	172	52.1 Å²	52.1	65%	0.649	25%	0.248	S	C	*	.	H	α-helix	trans	-58.9	-48.1	179.5	-173.3	-177.3	-59.7	162.4	3.4	111.3	D234 R241	D234-R238 WeakPolarHBondContact O-CB 3.37Å; D234-R238 PolarHBondContact O-N 2.8Å; R238-R241 PolarHBondContact O-N 3.38Å
239	A	66.7	Low	76.7	Confident	25 Å²	25	56.8 Å²	56.8	21%	0.207	27%	0.27	C	S	.	.	H	α-helix	trans	-80.4	-21.5	-178.4	0	0	0	0	0	113.4	S235 F237 R241 I242 F243	S235-A239 PolarHBondContact O-N 2.82Å; F237-A239 PolarHBondContact O-N 3.16Å; A239-R241 PolarHBondContact O-N 3.26Å; A239-I242 CarbonylContact O-C 3.53Å; A239-I242 PolarHBondContact O-N 2.99Å; A239-I242 VanDerWaalsContact O-N 3.08Å; A239-F243 HydrophobicContact CB-CD2 4.38Å; A239-F243 WeakPolarHBondContact O-CB 3.47Å; A239-F243 VanDerWaalsContact O-CD2 3.24Å; A239-F243 WeakPolarHBondContact O-CD2 3.45Å; A239-F243 PolarHBondContact O-N 3.43Å
240	L	71.6	Confident	74.9	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-41.1	168.7	-116.8	143.9	0	0	0	112	Q161 L164 V165 M176 I236 F237 I242 F243 E244	Q161-L240 HydrophobicContact CB-CD1 4.44Å; Q161-L240 HydrophobicContact CB-CG 4.33Å; Q161-L240 HydrophobicContact CG-CD1 4.34Å; Q161-L240 HydrophobicContact CG-CG 4.47Å; L164-L240 HydrophobicContact CB-CD1 3.84Å; L164-L240 HydrophobicContact CB-CD2 4.4Å; L164-L240 HydrophobicContact CD1-CD1 3.52Å; L164-L240 HydrophobicContact CG-CD1 4.32Å; V165-L240 HydrophobicContact CG2-CD2 3.58Å; V165-L240 HydrophobicContact CG2-CG 4.34Å; M176-L240 HydrophobicContact SD-CD1 4.33Å; I236-L240 HydrophobicContact CG2-CD1 4.06Å; I236-L240 PolarHBondContact O-N 3.13Å; I236-L240 VanDerWaalsContact O-N 3.17Å; F237-L240 PolarHBondContact O-N 3.1Å; L240-I242 VanDerWaalsContact C-N 3.35Å; L240-F243 PolarHBondContact O-N 3.31Å; L240-E244 WeakPolarHBondContact O-CB 3.17Å; L240-E244 WeakPolarHBondContact O-CG 3.19Å; L240-E244 PolarHBondContact O-N 3.48Å
241	R	67.6	Low	72.8	Confident	111 Å²	111	65.2 Å²	65.2	42%	0.419	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-39.8	174.5	-67.5	-176.3	175	-163.1	-4.2	112.3	F237 R238 A239 S245	F237-R241 PolarHBondContact O-N 3.1Å; R238-R241 PolarHBondContact O-N 3.38Å; A239-R241 PolarHBondContact O-N 3.26Å; R241-S245 PolarHBondContact O-N 3.4Å; R241-S245 PolarHBondContact O-OG 2.65Å
242	I	66.6	Low	70.7	Confident	81 Å²	81	59.4 Å²	59.4	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-68.4	-43.8	178	-60.4	170.4	0	0	0	110.5	A239 L240 E244 S245 D246	A239-I242 CarbonylContact O-C 3.53Å; A239-I242 PolarHBondContact O-N 2.99Å; A239-I242 VanDerWaalsContact O-N 3.08Å; L240-I242 VanDerWaalsContact C-N 3.35Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 2.99Å; I242-S245 WeakPolarHBondContact CA-OG 3.48Å; I242-S245 PolarHBondContact O-N 3.36Å; I242-S245 PolarHBondContact O-OG 3.4Å; I242-D246 WeakPolarHBondContact CG2-OD2 3.42Å; I242-D246 VanDerWaalsContact O-CB 3.3Å; I242-D246 WeakPolarHBondContact O-CB 3.26Å; I242-D246 PolarHBondContact O-N 2.96Å
243	F	65.3	Low	68.8	Low	34 Å²	34	63 Å²	63	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-43	175.4	-88.2	-70.7	0	0	0	111.7	K8 E158 L162 A239 L240 S245 I247	K8-F243 HydrophobicContact CD-CE1 4.24Å; E158-F243 HydrophobicContact CG-CE2 4.37Å; E158-F243 HydrophobicContact CG-CZ 4.1Å; L162-F243 HydrophobicContact CD2-CE1 4.45Å; A239-F243 HydrophobicContact CB-CD2 4.38Å; A239-F243 WeakPolarHBondContact O-CB 3.47Å; A239-F243 VanDerWaalsContact O-CD2 3.24Å; A239-F243 WeakPolarHBondContact O-CD2 3.45Å; A239-F243 PolarHBondContact O-N 3.43Å; L240-F243 PolarHBondContact O-N 3.31Å; F243-S245 VanDerWaalsContact C-N 3.34Å; F243-I247 VanDerWaalsContact O-CB 3.23Å; F243-I247 WeakPolarHBondContact O-CB 2.96Å; F243-I247 WeakPolarHBondContact O-CD1 3.46Å; F243-I247 WeakPolarHBondContact O-CG1 3.19Å; F243-I247 PolarHBondContact O-N 2.76Å
244	E	65	Low	66.8	Low	28 Å²	28	67.2 Å²	67.2	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-41.5	174.6	-75.8	-176.3	179.5	0	0	111.4	K60 R172 L240 I242 Y248	K60-E244 WeakPolarHBondContact CE-OE2 3.34Å; K60-E244 IonicContact NZ-OE2 3.69Å; K60-E244 PolarHBondContact NZ-OE2 3.44Å; R172-E244 IonicContact CZ-OE1 2.61Å; R172-E244 IonicContact NE-OE1 3.28Å; R172-E244 PolarHBondContact NE-OE1 3.09Å; R172-E244 IonicContact NH2-OE1 3.17Å; L240-E244 WeakPolarHBondContact O-CB 3.17Å; L240-E244 WeakPolarHBondContact O-CG 3.19Å; L240-E244 PolarHBondContact O-N 3.48Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 2.99Å; E244-Y248 VanDerWaalsContact O-CB 3.24Å; E244-Y248 WeakPolarHBondContact O-CB 3.45Å; E244-Y248 WeakPolarHBondContact O-CD2 3.3Å; E244-Y248 PolarHBondContact O-N 3.05Å
245	S	66.1	Low	64.8	Low	35 Å²	35	65.6 Å²	65.6	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-69	-48.3	177.1	61.5	0	0	0	0	112.6	R241 I242 F243 I247 Y248 E249	R241-S245 PolarHBondContact O-N 3.4Å; R241-S245 PolarHBondContact O-OG 2.65Å; I242-S245 WeakPolarHBondContact CA-OG 3.48Å; I242-S245 PolarHBondContact O-N 3.36Å; I242-S245 PolarHBondContact O-OG 3.4Å; F243-S245 VanDerWaalsContact C-N 3.34Å; S245-I247 PolarHBondContact O-N 2.73Å; S245-Y248 CarbonylContact O-C 3.43Å; S245-Y248 WeakPolarHBondContact O-CA 3.45Å; S245-Y248 WeakPolarHBondContact O-CB 3.2Å; S245-Y248 PolarHBondContact O-N 3.38Å; S245-Y248 VanDerWaalsContact O-N 3.09Å; S245-E249 WeakPolarHBondContact O-CG 3.43Å; S245-E249 PolarHBondContact O-N 3.03Å
246	D	64.8	Low	62.6	Low	69 Å²	69	70.1 Å²	70.1	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-41	-177.1	-68.7	0.6	0	0	0	110.9	I242 Y248 E249 Q250	I242-D246 WeakPolarHBondContact CG2-OD2 3.42Å; I242-D246 VanDerWaalsContact O-CB 3.3Å; I242-D246 WeakPolarHBondContact O-CB 3.26Å; I242-D246 PolarHBondContact O-N 2.96Å; D246-Y248 VanDerWaalsContact C-N 3.34Å; D246-E249 PolarHBondContact O-N 3.36Å; D246-Q250 WeakPolarHBondContact O-CB 2.99Å; D246-Q250 VanDerWaalsContact O-CG 3.26Å; D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.49Å
247	I	59.4	Low	60.5	Low	24 Å²	24	72.6 Å²	72.6	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-69.3	-36.2	174.7	-63.8	167.8	0	0	0	110.1	M1 F243 S245 A251	M1-I247 HydrophobicContact CB-CG2 3.82Å; M1-I247 HydrophobicContact CE-CB 4.5Å; M1-I247 HydrophobicContact CE-CG2 4.12Å; M1-I247 HydrophobicContact CG-CD1 4.19Å; M1-I247 HydrophobicContact CG-CG2 3.83Å; F243-I247 VanDerWaalsContact O-CB 3.23Å; F243-I247 WeakPolarHBondContact O-CB 2.96Å; F243-I247 WeakPolarHBondContact O-CD1 3.46Å; F243-I247 WeakPolarHBondContact O-CG1 3.19Å; F243-I247 PolarHBondContact O-N 2.76Å; S245-I247 PolarHBondContact O-N 2.73Å; I247-A251 WeakPolarHBondContact O-CB 3.41Å; I247-A251 PolarHBondContact O-N 2.7Å
248	Y	57.7	Low	58.8	Low	73 Å²	73	78 Å²	78	29%	0.286	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-44.2	172.8	-110.5	-90.3	0	0	0	111.7	M1 Y56 E244 S245 D246 A251 I252	M1-Y248 HydrophobicContact CE-CD2 3.67Å; M1-Y248 HydrophobicContact CE-CE2 3.78Å; Y56-Y248 HydrophobicContact CE1-CE1 4.46Å; Y56-Y248 HydrophobicContact CE1-CE2 4.41Å; Y56-Y248 AromaticContact CE1-CZ 3.9Å; Y56-Y248 WeakPolarHBondContact CE1-OH 3.31Å; E244-Y248 VanDerWaalsContact O-CB 3.24Å; E244-Y248 WeakPolarHBondContact O-CB 3.45Å; E244-Y248 WeakPolarHBondContact O-CD2 3.3Å; E244-Y248 PolarHBondContact O-N 3.05Å; S245-Y248 CarbonylContact O-C 3.43Å; S245-Y248 WeakPolarHBondContact O-CA 3.45Å; S245-Y248 WeakPolarHBondContact O-CB 3.2Å; S245-Y248 PolarHBondContact O-N 3.38Å; S245-Y248 VanDerWaalsContact O-N 3.09Å; D246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-A251 CarbonylContact O-C 3.53Å; Y248-A251 PolarHBondContact O-N 3.39Å; Y248-I252 HydrophobicContact CD1-CD1 4.15Å; Y248-I252 VanDerWaalsContact O-CB 3.31Å; Y248-I252 WeakPolarHBondContact O-CB 3.07Å; Y248-I252 WeakPolarHBondContact O-CG1 3.42Å; Y248-I252 PolarHBondContact O-N 2.99Å
249	E	59.2	Low	57.5	Low	120 Å²	120	78.8 Å²	78.8	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-64.3	-44.2	177.7	-76	-173.7	-178.6	0	0	110.7	S245 D246 A251 I252 V253	S245-E249 WeakPolarHBondContact O-CG 3.43Å; S245-E249 PolarHBondContact O-N 3.03Å; D246-E249 PolarHBondContact O-N 3.36Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 2.69Å; E249-I252 PolarHBondContact O-N 2.82Å; E249-V253 WeakPolarHBondContact O-CB 3.19Å; E249-V253 WeakPolarHBondContact O-CG2 3.16Å; E249-V253 PolarHBondContact O-N 3.4Å
250	Q	56.2	Low	56.9	Low	133 Å²	133	83.5 Å²	83.5	62%	0.621	45%	0.448	S	S	*	.	H	α-helix	trans	-64	-37.5	173.5	-72.7	176.6	12.7	0	0	111.9	D246 S254	D246-Q250 WeakPolarHBondContact O-CB 2.99Å; D246-Q250 VanDerWaalsContact O-CG 3.26Å; D246-Q250 WeakPolarHBondContact O-CG 3.48Å; D246-Q250 PolarHBondContact O-N 3.49Å; Q250-S254 WeakPolarHBondContact O-CB 3.09Å; Q250-S254 PolarHBondContact O-N 3.19Å; Q250-S254 PolarHBondContact O-OG 3.1Å
251	A	49.9	Very low	56.2	Low	47 Å²	47	90.7 Å²	90.7	39%	0.388	48%	0.475	S	S	.	.	H	α-helix	trans	-69.2	-38.5	175.2	0	0	0	0	0	111.4	I247 Y248 E249 S254 S255	I247-A251 WeakPolarHBondContact O-CB 3.41Å; I247-A251 PolarHBondContact O-N 2.7Å; Y248-A251 CarbonylContact O-C 3.53Å; Y248-A251 PolarHBondContact O-N 3.39Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 2.69Å; A251-S254 CarbonylContact O-C 3.43Å; A251-S254 PolarHBondContact O-N 3.11Å; A251-S255 WeakPolarHBondContact O-CA 3.38Å; A251-S255 WeakPolarHBondContact O-CB 3.39Å; A251-S255 PolarHBondContact O-N 3.3Å; A251-S255 PolarHBondContact O-OG 3.22Å
252	I	51.5	Low	55.8	Low	40 Å²	40	91.6 Å²	91.6	21%	0.205	49%	0.493	C	S	.	.	H	α-helix	trans	-66.5	-50.8	175.9	-73.3	166.3	0	0	0	109.2	Y248 E249 S254 S255 E256	Y248-I252 HydrophobicContact CD1-CD1 4.15Å; Y248-I252 VanDerWaalsContact O-CB 3.31Å; Y248-I252 WeakPolarHBondContact O-CB 3.07Å; Y248-I252 WeakPolarHBondContact O-CG1 3.42Å; Y248-I252 PolarHBondContact O-N 2.99Å; E249-I252 PolarHBondContact O-N 2.82Å; I252-S254 PolarHBondContact O-N 3.36Å; I252-S255 PolarHBondContact O-N 3.15Å; I252-E256 HydrophobicContact CG2-CG 3.73Å; I252-E256 VanDerWaalsContact CG2-OE1 3.26Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.26Å; I252-E256 VanDerWaalsContact O-CB 3.25Å; I252-E256 WeakPolarHBondContact O-CB 3.36Å; I252-E256 VanDerWaalsContact O-CG 3.29Å; I252-E256 WeakPolarHBondContact O-CG 3.28Å; I252-E256 PolarHBondContact O-N 3.13Å
253	V	52.7	Low	56	Low	116 Å²	116	91 Å²	91	70%	0.703	49%	0.49	S	S	*	.	H	α-helix	trans	-60.2	-34	176.2	173.3	0	0	0	0	111.7	E249	E249-V253 WeakPolarHBondContact O-CB 3.19Å; E249-V253 WeakPolarHBondContact O-CG2 3.16Å; E249-V253 PolarHBondContact O-N 3.4Å
254	S	51	Low	56.8	Low	95 Å²	95	96.8 Å²	96.8	66%	0.664	52%	0.515	S	S	*	.	H	α-helix	trans	-84.7	-16.7	175.8	-52.2	0	0	0	0	114.1	Q250 A251 I252	Q250-S254 WeakPolarHBondContact O-CB 3.09Å; Q250-S254 PolarHBondContact O-N 3.19Å; Q250-S254 PolarHBondContact O-OG 3.1Å; A251-S254 CarbonylContact O-C 3.43Å; A251-S254 PolarHBondContact O-N 3.11Å; I252-S254 PolarHBondContact O-N 3.36Å
255	S	47.6	Very low	57.4	Low	57 Å²	57	100.5 Å²	100.5	40%	0.399	54%	0.539	S	S	.	.	H	α-helix	trans	-111.9	-15.2	-175.7	65.5	0	0	0	0	114.5	A251 I252 G257	A251-S255 WeakPolarHBondContact O-CA 3.38Å; A251-S255 WeakPolarHBondContact O-CB 3.39Å; A251-S255 PolarHBondContact O-N 3.3Å; A251-S255 PolarHBondContact O-OG 3.22Å; I252-S255 PolarHBondContact O-N 3.15Å; S255-G257 PolarHBondContact O-N 2.85Å; S255-G257 VanDerWaalsContact O-N 3.12Å
256	E	44.3	Very low	58.2	Low	149 Å²	149	100.5 Å²	100.5	70%	0.696	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.2	176.8	-82.9	-174.5	162	0	0	113.5	I252	I252-E256 HydrophobicContact CG2-CG 3.73Å; I252-E256 VanDerWaalsContact CG2-OE1 3.26Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.26Å; I252-E256 VanDerWaalsContact O-CB 3.25Å; I252-E256 WeakPolarHBondContact O-CB 3.36Å; I252-E256 VanDerWaalsContact O-CG 3.29Å; I252-E256 WeakPolarHBondContact O-CG 3.28Å; I252-E256 PolarHBondContact O-N 3.13Å
257	G	44.6	Very low	59	Low	54 Å²	54	100.1 Å²	100.1	56%	0.557	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-31.6	177.4	0	0	0	0	0	117	S255	S255-G257 PolarHBondContact O-N 2.85Å; S255-G257 VanDerWaalsContact O-N 3.12Å
258	E	49.3	Very low	59.9	Low	171 Å²	171	105.7 Å²	105.7	80%	0.799	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	-28.7	-159.9	-69.4	-172.6	161.1	0	0	116.2
259	F	51.2	Low	61	Low	187 Å²	187	108 Å²	108	82%	0.82	58%	0.575	S	S	*	*	S	Bend	trans	-89	-7.2	-169	-120.1	-93.2	0	0	0	115.3
260	C	53.6	Low	62	Low	124 Å²	124	109 Å²	109	84%	0.838	58%	0.58	S	S	*	*	S	Bend	trans	-149.4	30.2	-178.1	-80.4	0	0	0	0	113.2	T262	C260-T262 PolarHBondContact O-N 2.67Å
261	R	56.4	Low	63.3	Low	157 Å²	157	106.8 Å²	106.8	59%	0.592	57%	0.569	S	S	*	*			trans	-70.1	120.7	172.8	179.2	173.9	156.8	173.4	-14	109.2	I263 E267	R261-I263 PolarHBondContact O-N 3.43Å; R261-E267 IonicContact NH2-OE1 3.27Å; R261-E267 IonicContact NH2-OE2 2.7Å; R261-E267 PolarHBondContact NH2-OE2 3.38Å
262	T	60.2	Low	64.5	Low	129 Å²	129	107.2 Å²	107.2	79%	0.791	57%	0.568	S	S	*	*			trans	-59.5	108.9	167.4	-55.5	0	0	0	0	108.6	C260	C260-T262 PolarHBondContact O-N 2.67Å
263	I	70.5	Confident	66	Low	68 Å²	68	108.2 Å²	108.2	35%	0.349	58%	0.582	S	S	.	*			trans	-68.9	131.5	175.6	-59.5	168.6	0	0	0	107.2	R261 E267 Y268	R261-I263 PolarHBondContact O-N 3.43Å; I263-E267 HydrophobicContact CG2-CB 3.57Å; I263-E267 HydrophobicContact CG2-CG 3.64Å; I263-Y268 VanDerWaalsContact CG2-N 3.29Å
264	K	81	Confident	67.4	Low	157 Å²	157	104.9 Å²	104.9	68%	0.683	57%	0.566	S	S	*	*			trans	-64.4	146.8	174.5	-64.9	-177.3	-177.2	178.7	0	108.8	G266 E267 Y268	K264-G266 PolarHBondContact O-N 3.33Å; K264-G266 VanDerWaalsContact O-N 3.12Å; K264-E267 HydrophobicContact CB-CB 4.36Å; K264-E267 WeakPolarHBondContact O-CA 3.35Å; K264-E267 WeakPolarHBondContact O-CB 3.3Å; K264-E267 PolarHBondContact O-N 2.88Å; K264-Y268 PolarHBondContact O-N 2.9Å
265	V	77.4	Confident	68.8	Low	105 Å²	105	104.2 Å²	104.2	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-49	-45.7	-178.8	177.4	0	0	0	0	112.3	E267 Y268 E269	V265-E267 VanDerWaalsContact C-N 3.34Å; V265-E267 PolarHBondContact O-N 3.35Å; V265-Y268 WeakPolarHBondContact O-CB 3.29Å; V265-Y268 PolarHBondContact O-N 3.37Å; V265-E269 HydrophobicContact CG1-CG 4.45Å; V265-E269 WeakPolarHBondContact O-CG 3.4Å; V265-E269 PolarHBondContact O-N 2.77Å
266	G	84	Confident	70.5	Confident	36 Å²	36	104.3 Å²	104.3	37%	0.371	56%	0.559	S	S	.	*	H	α-helix	trans	-66.6	-30.2	177.6	0	0	0	0	0	114.6	K264 Q270	K264-G266 PolarHBondContact O-N 3.33Å; K264-G266 VanDerWaalsContact O-N 3.12Å; G266-Q270 WeakPolarHBondContact O-CB 3.38Å; G266-Q270 WeakPolarHBondContact O-CG 3.48Å; G266-Q270 PolarHBondContact O-N 3.48Å; G266-Q270 VanDerWaalsContact O-N 3.08Å
267	E	81.9	Confident	72.6	Confident	60 Å²	60	100.8 Å²	100.8	28%	0.28	54%	0.542	S	S	.	.	H	α-helix	trans	-73.8	-37.7	174.7	-173.9	-178.6	174.9	0	0	110.4	R261 I263 K264 V265 Q270 Q271	R261-E267 IonicContact NH2-OE1 3.27Å; R261-E267 IonicContact NH2-OE2 2.7Å; R261-E267 PolarHBondContact NH2-OE2 3.38Å; I263-E267 HydrophobicContact CG2-CB 3.57Å; I263-E267 HydrophobicContact CG2-CG 3.64Å; K264-E267 HydrophobicContact CB-CB 4.36Å; K264-E267 WeakPolarHBondContact O-CA 3.35Å; K264-E267 WeakPolarHBondContact O-CB 3.3Å; K264-E267 PolarHBondContact O-N 2.88Å; V265-E267 VanDerWaalsContact C-N 3.34Å; V265-E267 PolarHBondContact O-N 3.35Å; E267-Q270 PolarHBondContact O-N 3.38Å; E267-Q271 WeakPolarHBondContact O-CB 3.28Å; E267-Q271 VanDerWaalsContact O-CG 3.28Å; E267-Q271 WeakPolarHBondContact O-CG 3.44Å; E267-Q271 PolarHBondContact O-N 3.38Å
268	Y	77.3	Confident	74.6	Confident	141 Å²	141	103.7 Å²	103.7	55%	0.553	54%	0.541	S	S	*	.	H	α-helix	trans	-64.4	-45.5	173.9	171.5	-96.7	0	0	0	111.7	I263 K264 V265 Q270 Q271 T272	I263-Y268 VanDerWaalsContact CG2-N 3.29Å; K264-Y268 PolarHBondContact O-N 2.9Å; V265-Y268 WeakPolarHBondContact O-CB 3.29Å; V265-Y268 PolarHBondContact O-N 3.37Å; Y268-Q270 PolarHBondContact O-N 3.27Å; Y268-Q271 PolarHBondContact O-N 3.27Å; Y268-T272 VanDerWaalsContact O-CB 3.28Å; Y268-T272 WeakPolarHBondContact O-CB 3.2Å; Y268-T272 PolarHBondContact O-N 3.49Å; Y268-T272 PolarHBondContact O-OG1 3.03Å
269	E	80.8	Confident	76.4	Confident	121 Å²	121	100 Å²	100	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-61.8	-42.8	176.4	-73.3	174.6	171.6	0	0	111.6	V265 T272 A273	V265-E269 HydrophobicContact CG1-CG 4.45Å; V265-E269 WeakPolarHBondContact O-CG 3.4Å; V265-E269 PolarHBondContact O-N 2.77Å; E269-T272 PolarHBondContact O-N 2.95Å; E269-A273 VanDerWaalsContact O-CB 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.48Å; E269-A273 PolarHBondContact O-N 3.33Å
270	Q	81.6	Confident	78.3	Confident	142 Å²	142	92.6 Å²	92.6	66%	0.664	49%	0.493	S	S	*	.	H	α-helix	trans	-63.8	-45.9	176	-77.1	174.3	11.3	0	0	112.5	G266 E267 Y268 A273 A274	G266-Q270 WeakPolarHBondContact O-CB 3.38Å; G266-Q270 WeakPolarHBondContact O-CG 3.48Å; G266-Q270 PolarHBondContact O-N 3.48Å; G266-Q270 VanDerWaalsContact O-N 3.08Å; E267-Q270 PolarHBondContact O-N 3.38Å; Y268-Q270 PolarHBondContact O-N 3.27Å; Q270-A273 PolarHBondContact O-N 3.43Å; Q270-A274 VanDerWaalsContact O-CB 3.32Å; Q270-A274 WeakPolarHBondContact O-CB 3.19Å; Q270-A274 PolarHBondContact O-N 3.49Å
271	Q	81.7	Confident	80	Confident	86 Å²	86	88.1 Å²	88.1	40%	0.402	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-44.3	177.1	-73.3	177.5	15.2	0	0	111.2	E267 Y268 A273 A274 V275	E267-Q271 WeakPolarHBondContact O-CB 3.28Å; E267-Q271 VanDerWaalsContact O-CG 3.28Å; E267-Q271 WeakPolarHBondContact O-CG 3.44Å; E267-Q271 PolarHBondContact O-N 3.38Å; Y268-Q271 PolarHBondContact O-N 3.27Å; Q271-A273 PolarHBondContact O-N 3.34Å; Q271-A274 PolarHBondContact O-N 2.89Å; Q271-V275 WeakPolarHBondContact O-CB 3.34Å; Q271-V275 VanDerWaalsContact O-CG2 3.28Å; Q271-V275 WeakPolarHBondContact O-CG2 3.22Å; Q271-V275 PolarHBondContact O-N 3.33Å
272	T	76.6	Confident	81.5	Confident	57 Å²	57	85.5 Å²	85.5	35%	0.35	45%	0.454	S	S	.	.	H	α-helix	trans	-61.8	-44.5	177.9	-56.3	0	0	0	0	111.1	Y268 E269 S276	Y268-T272 VanDerWaalsContact O-CB 3.28Å; Y268-T272 WeakPolarHBondContact O-CB 3.2Å; Y268-T272 PolarHBondContact O-N 3.49Å; Y268-T272 PolarHBondContact O-OG1 3.03Å; E269-T272 PolarHBondContact O-N 2.95Å; T272-S276 VanDerWaalsContact O-CB 3.24Å; T272-S276 WeakPolarHBondContact O-CB 3.14Å; T272-S276 PolarHBondContact O-N 2.99Å; T272-S276 PolarHBondContact O-OG 2.94Å
273	A	82.1	Confident	83	Confident	61 Å²	61	83.2 Å²	83.2	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-45.4	176.6	0	0	0	0	0	111.9	E269 Q270 Q271 S276 E277	E269-A273 VanDerWaalsContact O-CB 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.48Å; E269-A273 PolarHBondContact O-N 3.33Å; Q270-A273 PolarHBondContact O-N 3.43Å; Q271-A273 PolarHBondContact O-N 3.34Å; A273-S276 PolarHBondContact O-N 2.84Å; A273-E277 WeakPolarHBondContact O-CB 3.38Å; A273-E277 PolarHBondContact O-N 3.47Å
274	A	83.1	Confident	83.9	Confident	45 Å²	45	80 Å²	80	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-64.6	-44	179.9	0	0	0	0	0	112.5	Q270 Q271 E277 Q278	Q270-A274 VanDerWaalsContact O-CB 3.32Å; Q270-A274 WeakPolarHBondContact O-CB 3.19Å; Q270-A274 PolarHBondContact O-N 3.49Å; Q271-A274 PolarHBondContact O-N 2.89Å; A274-E277 PolarHBondContact O-N 3.04Å; A274-Q278 VanDerWaalsContact O-CG 3.29Å; A274-Q278 WeakPolarHBondContact O-CG 3.46Å; A274-Q278 PolarHBondContact O-N 3.15Å
275	V	79.1	Confident	84.2	Confident	81 Å²	81	75.7 Å²	75.7	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-44.3	176.4	172.7	0	0	0	0	110.5	Q271 E277 Q278 E279	Q271-V275 WeakPolarHBondContact O-CB 3.34Å; Q271-V275 VanDerWaalsContact O-CG2 3.28Å; Q271-V275 WeakPolarHBondContact O-CG2 3.22Å; Q271-V275 PolarHBondContact O-N 3.33Å; V275-E277 VanDerWaalsContact C-N 3.34Å; V275-E277 PolarHBondContact O-N 3.09Å; V275-Q278 PolarHBondContact O-N 3.46Å; V275-E279 HydrophobicContact CG1-CG 4.46Å; V275-E279 WeakPolarHBondContact O-CG 3.33Å; V275-E279 PolarHBondContact O-N 2.8Å
276	S	84.3	Confident	84.8	Confident	60 Å²	60	75.2 Å²	75.2	42%	0.42	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-44	177.2	-59.8	0	0	0	0	111.5	T272 A273 Q278 E279 L280	T272-S276 VanDerWaalsContact O-CB 3.24Å; T272-S276 WeakPolarHBondContact O-CB 3.14Å; T272-S276 PolarHBondContact O-N 2.99Å; T272-S276 PolarHBondContact O-OG 2.94Å; A273-S276 PolarHBondContact O-N 2.84Å; S276-Q278 PolarHBondContact O-N 3.5Å; S276-E279 PolarHBondContact O-N 3.37Å; S276-L280 WeakPolarHBondContact O-CB 3.5Å; S276-L280 VanDerWaalsContact O-CG 3.24Å; S276-L280 WeakPolarHBondContact O-CG 3.28Å; S276-L280 PolarHBondContact O-N 3.01Å
277	E	88.3	Confident	85	Confident	75 Å²	75	74.4 Å²	74.4	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-46.1	175.7	-169.8	-175.3	140.5	0	0	111.7	A273 A274 V275 L280 V281 L312 K316	A273-E277 WeakPolarHBondContact O-CB 3.38Å; A273-E277 PolarHBondContact O-N 3.47Å; A274-E277 PolarHBondContact O-N 3.04Å; V275-E277 VanDerWaalsContact C-N 3.34Å; V275-E277 PolarHBondContact O-N 3.09Å; E277-L280 PolarHBondContact O-N 3.46Å; E277-V281 VanDerWaalsContact O-CG2 3.31Å; E277-V281 WeakPolarHBondContact O-CG2 3.48Å; E277-V281 PolarHBondContact O-N 3.44Å; E277-L312 HydrophobicContact CG-CD1 3.45Å; E277-L312 VanDerWaalsContact CG-CD1 3.45Å; E277-L312 HydrophobicContact CG-CD2 4.35Å; E277-K316 WeakPolarHBondContact OE1-CE 3.42Å; E277-K316 IonicContact OE1-NZ 2.68Å; E277-K316 PolarHBondContact OE1-NZ 3.3Å
278	Q	87.2	Confident	85.2	Confident	114 Å²	114	73.1 Å²	73.1	53%	0.533	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-44.4	178.9	-74.4	177.1	13.4	0	0	112.2	A274 V275 S276 V281 K282	A274-Q278 VanDerWaalsContact O-CG 3.29Å; A274-Q278 WeakPolarHBondContact O-CG 3.46Å; A274-Q278 PolarHBondContact O-N 3.15Å; V275-Q278 PolarHBondContact O-N 3.46Å; S276-Q278 PolarHBondContact O-N 3.5Å; Q278-V281 PolarHBondContact O-N 2.94Å; Q278-K282 WeakPolarHBondContact O-CG 3.49Å; Q278-K282 PolarHBondContact O-N 2.77Å
279	E	86	Confident	85.6	Confident	95 Å²	95	75.8 Å²	75.8	44%	0.444	39%	0.392	S	S	.	.	H	α-helix	trans	-68.2	-38.8	178.6	-68.4	-51.5	128.5	0	0	112	V275 S276 V281 K282 M283	V275-E279 HydrophobicContact CG1-CG 4.46Å; V275-E279 WeakPolarHBondContact O-CG 3.33Å; V275-E279 PolarHBondContact O-N 2.8Å; S276-E279 PolarHBondContact O-N 3.37Å; E279-V281 VanDerWaalsContact C-N 3.34Å; E279-V281 PolarHBondContact O-N 3.23Å; E279-K282 PolarHBondContact O-N 3.07Å; E279-K282 IonicContact OE1-NZ 3.19Å; E279-K282 PolarHBondContact OE1-NZ 3.34Å; E279-M283 WeakPolarHBondContact O-CB 3.45Å; E279-M283 PolarHBondContact O-N 2.92Å
280	L	90.3	Very high	85.8	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.157	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-42.7	172.1	-72.2	174.1	0	0	0	111.6	S276 E277 M283 V284 F305 Y309 L312	S276-L280 WeakPolarHBondContact O-CB 3.5Å; S276-L280 VanDerWaalsContact O-CG 3.24Å; S276-L280 WeakPolarHBondContact O-CG 3.28Å; S276-L280 PolarHBondContact O-N 3.01Å; E277-L280 PolarHBondContact O-N 3.46Å; L280-M283 HydrophobicContact CD2-CE 3.75Å; L280-M283 WeakPolarHBondContact O-CB 3.28Å; L280-M283 PolarHBondContact O-N 2.81Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 2.84Å; L280-V284 VanDerWaalsContact O-N 3.09Å; L280-F305 HydrophobicContact CB-CE2 4.27Å; L280-F305 HydrophobicContact CB-CZ 4.45Å; L280-F305 HydrophobicContact CD2-CE2 4.27Å; L280-Y309 HydrophobicContact CD1-CD1 3.84Å; L280-Y309 HydrophobicContact CD1-CE1 3.65Å; L280-Y309 HydrophobicContact CD1-CE2 4.35Å; L280-Y309 HydrophobicContact CD1-CG 4.27Å; L280-Y309 HydrophobicContact CD2-CD2 4.4Å; L280-Y309 HydrophobicContact CD2-CE1 4.42Å; L280-Y309 HydrophobicContact CD2-CE2 3.82Å; L280-L312 HydrophobicContact CB-CD2 3.67Å; L280-L312 HydrophobicContact CD1-CD2 3.78Å; L280-L312 HydrophobicContact CG-CD2 4.39Å
281	V	89.9	Confident	86.1	Confident	30 Å²	30	72.9 Å²	72.9	18%	0.182	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-45	177	167.8	0	0	0	0	111.5	E277 Q278 E279 M283 V284 I285 L312 K316 F317	E277-V281 VanDerWaalsContact O-CG2 3.31Å; E277-V281 WeakPolarHBondContact O-CG2 3.48Å; E277-V281 PolarHBondContact O-N 3.44Å; Q278-V281 PolarHBondContact O-N 2.94Å; E279-V281 VanDerWaalsContact C-N 3.34Å; E279-V281 PolarHBondContact O-N 3.23Å; V281-M283 VanDerWaalsContact C-N 3.29Å; V281-M283 PolarHBondContact O-N 3.35Å; V281-V284 PolarHBondContact O-N 2.87Å; V281-I285 HydrophobicContact CG1-CD1 4.05Å; V281-I285 WeakPolarHBondContact O-CG1 3.28Å; V281-I285 PolarHBondContact O-N 3.49Å; V281-I285 VanDerWaalsContact O-N 3.11Å; V281-L312 HydrophobicContact CG2-CD1 4.21Å; V281-K316 HydrophobicContact CG2-CB 4.25Å; V281-K316 HydrophobicContact CG2-CD 4.5Å; V281-K316 HydrophobicContact CG2-CG 3.94Å; V281-F317 HydrophobicContact CB-CZ 4.16Å; V281-F317 HydrophobicContact CG1-CZ 3.93Å; V281-F317 HydrophobicContact CG2-CE2 4.16Å; V281-F317 HydrophobicContact CG2-CZ 4.06Å
282	K	88.6	Confident	86.4	Confident	103 Å²	103	73 Å²	73	45%	0.448	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-39.2	175.1	-74.3	175.3	-170.8	168.5	0	111.8	Q278 E279 I285 T286	Q278-K282 WeakPolarHBondContact O-CG 3.49Å; Q278-K282 PolarHBondContact O-N 2.77Å; E279-K282 PolarHBondContact O-N 3.07Å; E279-K282 IonicContact OE1-NZ 3.19Å; E279-K282 PolarHBondContact OE1-NZ 3.34Å; K282-I285 PolarHBondContact O-N 3.35Å; K282-T286 WeakPolarHBondContact O-CB 3.27Å; K282-T286 PolarHBondContact O-N 3.24Å; K282-T286 PolarHBondContact O-OG1 3.43Å
283	M	90.4	Very high	86.8	Confident	81 Å²	81	73.2 Å²	73.2	40%	0.399	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-46.3	178	-175.9	174.5	69.3	0	0	111.3	E279 L280 V281 I285 T286 V287 W301 F305	E279-M283 WeakPolarHBondContact O-CB 3.45Å; E279-M283 PolarHBondContact O-N 2.92Å; L280-M283 HydrophobicContact CD2-CE 3.75Å; L280-M283 WeakPolarHBondContact O-CB 3.28Å; L280-M283 PolarHBondContact O-N 2.81Å; V281-M283 VanDerWaalsContact C-N 3.29Å; V281-M283 PolarHBondContact O-N 3.35Å; M283-I285 PolarHBondContact O-N 2.98Å; M283-T286 PolarHBondContact O-N 2.92Å; M283-V287 WeakPolarHBondContact O-CG2 3.39Å; M283-V287 PolarHBondContact O-N 2.7Å; M283-W301 HydrophobicContact CE-CH2 4.25Å; M283-W301 HydrophobicContact CE-CZ2 3.72Å; M283-W301 HydrophobicContact CG-CH2 4.29Å; M283-W301 HydrophobicContact CG-CZ2 3.84Å; M283-W301 HydrophobicContact SD-CZ2 4.16Å; M283-F305 HydrophobicContact CE-CD2 4.35Å; M283-F305 HydrophobicContact CE-CE2 4.35Å
284	V	89.9	Confident	87	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-56.5	-52.2	174	176.2	0	0	0	0	110.3	L280 V281 T286 V287 M288 W301 L302 F305 F317 L320	L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 2.84Å; L280-V284 VanDerWaalsContact O-N 3.09Å; V281-V284 PolarHBondContact O-N 2.87Å; V284-T286 VanDerWaalsContact C-N 3.28Å; V284-T286 PolarHBondContact O-N 2.89Å; V284-V287 PolarHBondContact O-N 3.27Å; V284-M288 HydrophobicContact CG1-CG 4.07Å; V284-M288 WeakPolarHBondContact O-CG 3.35Å; V284-M288 PolarHBondContact O-N 2.87Å; V284-W301 HydrophobicContact CB-CH2 4.11Å; V284-W301 HydrophobicContact CB-CZ3 4.14Å; V284-W301 HydrophobicContact CG1-CZ3 4.25Å; V284-W301 HydrophobicContact CG2-CH2 3.58Å; V284-W301 HydrophobicContact CG2-CZ3 3.77Å; V284-L302 HydrophobicContact CG1-CD1 4.34Å; V284-F305 HydrophobicContact CG2-CD1 3.99Å; V284-F305 HydrophobicContact CG2-CD2 3.83Å; V284-F305 HydrophobicContact CG2-CE1 3.67Å; V284-F305 HydrophobicContact CG2-CE2 3.49Å; V284-F305 VanDerWaalsContact CG2-CE2 3.49Å; V284-F305 HydrophobicContact CG2-CG 4.07Å; V284-F305 HydrophobicContact CG2-CZ 3.39Å; V284-F317 HydrophobicContact CB-CE1 3.97Å; V284-F317 HydrophobicContact CB-CE2 3.94Å; V284-F317 HydrophobicContact CB-CZ 3.51Å; V284-F317 HydrophobicContact CG1-CD1 3.96Å; V284-F317 HydrophobicContact CG1-CD2 4.36Å; V284-F317 HydrophobicContact CG1-CE1 3.59Å; V284-F317 HydrophobicContact CG1-CE2 4.03Å; V284-F317 HydrophobicContact CG1-CG 4.33Å; V284-F317 HydrophobicContact CG1-CZ 3.62Å; V284-F317 HydrophobicContact CG2-CD2 4.37Å; V284-F317 HydrophobicContact CG2-CE2 3.67Å; V284-F317 HydrophobicContact CG2-CZ 3.78Å; V284-L320 HydrophobicContact CG1-CD1 3.95Å
285	I	87.8	Confident	87.1	Confident	66 Å²	66	76 Å²	76	34%	0.338	40%	0.403	S	S	.	.	H	α-helix	trans	-57.4	-43.4	-179	-66.1	167.6	0	0	0	111.3	V281 K282 M283 M288 R289	V281-I285 HydrophobicContact CG1-CD1 4.05Å; V281-I285 WeakPolarHBondContact O-CG1 3.28Å; V281-I285 PolarHBondContact O-N 3.49Å; V281-I285 VanDerWaalsContact O-N 3.11Å; K282-I285 PolarHBondContact O-N 3.35Å; M283-I285 PolarHBondContact O-N 2.98Å; I285-M288 PolarHBondContact O-N 3.2Å; I285-R289 HydrophobicContact CG2-CG 4.48Å; I285-R289 WeakPolarHBondContact O-CB 3.46Å; I285-R289 VanDerWaalsContact O-CG 3.29Å; I285-R289 WeakPolarHBondContact O-CG 3.34Å; I285-R289 PolarHBondContact O-N 3Å
286	T	89.4	Confident	87.4	Confident	95 Å²	95	76.8 Å²	76.8	58%	0.583	41%	0.407	S	S	*	.	H	α-helix	trans	-62.4	-46.8	178.1	-59.5	0	0	0	0	111.6	K282 M283 V284 R289 S290	K282-T286 WeakPolarHBondContact O-CB 3.27Å; K282-T286 PolarHBondContact O-N 3.24Å; K282-T286 PolarHBondContact O-OG1 3.43Å; M283-T286 PolarHBondContact O-N 2.92Å; V284-T286 VanDerWaalsContact C-N 3.28Å; V284-T286 PolarHBondContact O-N 2.89Å; T286-R289 PolarHBondContact O-N 3.42Å; T286-S290 WeakPolarHBondContact O-CB 3.34Å; T286-S290 PolarHBondContact O-N 3.11Å
287	V	89.2	Confident	87.6	Confident	19 Å²	19	77.9 Å²	77.9	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-44.1	177.8	169.2	0	0	0	0	111.3	M283 V284 R289 S290 L293 K298 W301	M283-V287 WeakPolarHBondContact O-CG2 3.39Å; M283-V287 PolarHBondContact O-N 2.7Å; V284-V287 PolarHBondContact O-N 3.27Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 3.04Å; V287-S290 PolarHBondContact O-N 3.1Å; V287-L293 HydrophobicContact CG1-CD1 3.8Å; V287-K298 WeakPolarHBondContact O-CE 3.32Å; V287-W301 HydrophobicContact CB-CD2 4.19Å; V287-W301 HydrophobicContact CB-CE3 4.11Å; V287-W301 HydrophobicContact CB-CH2 4.36Å; V287-W301 HydrophobicContact CB-CZ2 4.4Å; V287-W301 HydrophobicContact CB-CZ3 4.21Å; V287-W301 HydrophobicContact CG1-CB 4.35Å; V287-W301 HydrophobicContact CG1-CD2 3.65Å; V287-W301 HydrophobicContact CG1-CE3 3.66Å; V287-W301 HydrophobicContact CG1-CG 3.94Å; V287-W301 HydrophobicContact CG1-CZ3 4.24Å; V287-W301 HydrophobicContact CG2-CD2 4.09Å; V287-W301 HydrophobicContact CG2-CE3 4.43Å; V287-W301 HydrophobicContact CG2-CH2 4.22Å; V287-W301 HydrophobicContact CG2-CZ2 3.82Å
288	M	84.9	Confident	87.7	Confident	33 Å²	33	75.7 Å²	75.7	16%	0.163	40%	0.395	C	S	.	.	H	α-helix	trans	-65.1	-34.3	180	-60.2	-36.7	-79.6	0	0	112.2	V284 I285 K298 L302 L320 F324	V284-M288 HydrophobicContact CG1-CG 4.07Å; V284-M288 WeakPolarHBondContact O-CG 3.35Å; V284-M288 PolarHBondContact O-N 2.87Å; I285-M288 PolarHBondContact O-N 3.2Å; M288-K298 PolarHBondContact O-NZ 3.01Å; M288-L302 HydrophobicContact CE-CD2 4.41Å; M288-L302 HydrophobicContact SD-CD1 4.25Å; M288-L320 HydrophobicContact CG-CD1 4.39Å; M288-F324 HydrophobicContact CE-CD2 3.92Å; M288-F324 HydrophobicContact CE-CE1 3.85Å; M288-F324 HydrophobicContact CE-CE2 2.98Å; M288-F324 HydrophobicContact CE-CZ 2.94Å
289	R	86.1	Confident	87.7	Confident	197 Å²	197	72.1 Å²	72.1	74%	0.743	38%	0.381	S	S	*	.	H	α-helix	trans	-86	-12.9	178.7	-70.3	179.3	177	174.1	-0.6	114.6	I285 T286 V287 N291	I285-R289 HydrophobicContact CG2-CG 4.48Å; I285-R289 WeakPolarHBondContact O-CB 3.46Å; I285-R289 VanDerWaalsContact O-CG 3.29Å; I285-R289 WeakPolarHBondContact O-CG 3.34Å; I285-R289 PolarHBondContact O-N 3Å; T286-R289 PolarHBondContact O-N 3.42Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 3.04Å; R289-N291 PolarHBondContact O-N 3.11Å
290	S	86.2	Confident	87.8	Confident	37 Å²	37	75 Å²	75	26%	0.259	39%	0.388	S	S	.	.			trans	-64.4	129.3	-178.1	178.9	0	0	0	0	111.8	T286 V287 A292 K298	T286-S290 WeakPolarHBondContact O-CB 3.34Å; T286-S290 PolarHBondContact O-N 3.11Å; V287-S290 PolarHBondContact O-N 3.1Å; S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact OG-N 3.03Å; S290-K298 WeakPolarHBondContact O-CE 3.42Å; S290-K298 PolarHBondContact O-NZ 3.04Å
291	N	86.4	Confident	87.9	Confident	165 Å²	165	76.5 Å²	76.5	88%	0.882	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.8	171.7	-66.5	-21.3	0	0	0	112.5	R289	R289-N291 PolarHBondContact O-N 3.11Å
292	A	88.1	Confident	87.9	Confident	90 Å²	90	75.4 Å²	75.4	74%	0.744	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.1	-179.8	0	0	0	0	0	113.4	S290	S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact OG-N 3.03Å
293	L	85.6	Confident	87.9	Confident	60 Å²	60	74.6 Å²	74.6	31%	0.314	39%	0.386	S	S	.	.	S	Bend	trans	-110.1	131.4	-178.9	-63.6	172.6	0	0	0	110.4	V287 E297 K298	V287-L293 HydrophobicContact CG1-CD1 3.8Å; L293-E297 HydrophobicContact CB-CB 4.32Å; L293-E297 HydrophobicContact CD2-CB 4.24Å; L293-K298 HydrophobicContact CB-CG 3.91Å; L293-K298 WeakPolarHBondContact O-CE 3.47Å
294	S	87	Confident	87.9	Confident	56 Å²	56	74.9 Å²	74.9	39%	0.392	39%	0.389	S	S	.	.			trans	-64.3	162.2	170	68.5	0	0	0	0	111.4	V296 E297 K298	S294-V296 PolarHBondContact O-N 3.32Å; S294-E297 VanDerWaalsContact CB-OE2 3.25Å; S294-E297 WeakPolarHBondContact CB-OE2 3.24Å; S294-E297 PolarHBondContact N-OE2 2.77Å; S294-E297 PolarHBondContact O-N 3.16Å; S294-E297 VanDerWaalsContact OG-CD 3.29Å; S294-E297 VanDerWaalsContact OG-CG 3.29Å; S294-E297 WeakPolarHBondContact OG-CG 3.38Å; S294-E297 PolarHBondContact OG-N 3.07Å; S294-E297 PolarHBondContact OG-OE2 2.94Å; S294-K298 WeakPolarHBondContact O-CG 3.13Å; S294-K298 PolarHBondContact O-N 2.69Å
295	H	84	Confident	87.9	Confident	110 Å²	110	75.3 Å²	75.3	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-56.3	-40.6	175.9	-176.2	-78.6	0	0	0	112.2	E297 K298 V299 F324	H295-E297 PolarHBondContact O-N 3.02Å; H295-K298 PolarHBondContact O-N 2.98Å; H295-V299 WeakPolarHBondContact O-CG2 3.47Å; H295-V299 PolarHBondContact O-N 3.05Å; H295-F324 AromaticContact CE1-CD1 3.87Å; H295-F324 AromaticContact NE2-CD1 3.56Å; H295-F324 AromaticContact NE2-CE1 3.68Å
296	V	86.3	Confident	88	Confident	96 Å²	96	76.1 Å²	76.1	58%	0.582	39%	0.391	S	S	*	.	H	α-helix	trans	-63.9	-41.1	179.9	178.8	0	0	0	0	111.2	S294 V299 R300	S294-V296 PolarHBondContact O-N 3.32Å; V296-V299 PolarHBondContact O-N 3.24Å; V296-R300 WeakPolarHBondContact O-CB 3.42Å; V296-R300 PolarHBondContact O-N 3.4Å
297	E	88.7	Confident	88.1	Confident	83 Å²	83	78.8 Å²	78.8	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-68.2	-40.2	177.7	-70.3	164.2	129.9	0	0	112	L293 S294 H295 R300 W301	L293-E297 HydrophobicContact CB-CB 4.32Å; L293-E297 HydrophobicContact CD2-CB 4.24Å; S294-E297 VanDerWaalsContact CB-OE2 3.25Å; S294-E297 WeakPolarHBondContact CB-OE2 3.24Å; S294-E297 PolarHBondContact N-OE2 2.77Å; S294-E297 PolarHBondContact O-N 3.16Å; S294-E297 VanDerWaalsContact OG-CD 3.29Å; S294-E297 VanDerWaalsContact OG-CG 3.29Å; S294-E297 WeakPolarHBondContact OG-CG 3.38Å; S294-E297 PolarHBondContact OG-N 3.07Å; S294-E297 PolarHBondContact OG-OE2 2.94Å; H295-E297 PolarHBondContact O-N 3.02Å; E297-R300 PolarHBondContact O-N 2.99Å; E297-W301 WeakPolarHBondContact O-CB 3.46Å; E297-W301 PolarHBondContact O-N 2.84Å
298	K	89.4	Confident	88	Confident	30 Å²	30	84.6 Å²	84.6	13%	0.13	42%	0.423	C	S	.	.	H	α-helix	trans	-61.6	-43.8	174.6	-69.8	179.8	-178.1	-176.4	0	111.9	V287 M288 S290 L293 S294 H295 W301 L302	V287-K298 WeakPolarHBondContact O-CE 3.32Å; M288-K298 PolarHBondContact O-NZ 3.01Å; S290-K298 WeakPolarHBondContact O-CE 3.42Å; S290-K298 PolarHBondContact O-NZ 3.04Å; L293-K298 HydrophobicContact CB-CG 3.91Å; L293-K298 WeakPolarHBondContact O-CE 3.47Å; S294-K298 WeakPolarHBondContact O-CG 3.13Å; S294-K298 PolarHBondContact O-N 2.69Å; H295-K298 PolarHBondContact O-N 2.98Å; K298-W301 PolarHBondContact O-N 3.29Å; K298-L302 WeakPolarHBondContact O-CB 3.43Å; K298-L302 PolarHBondContact O-N 3.24Å
299	V	87.3	Confident	88.3	Confident	39 Å²	39	87.7 Å²	87.7	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-63.5	-45.6	176.2	171.9	0	0	0	0	111.2	H295 V296 W301 L302 N303 F324	H295-V299 WeakPolarHBondContact O-CG2 3.47Å; H295-V299 PolarHBondContact O-N 3.05Å; V296-V299 PolarHBondContact O-N 3.24Å; V299-W301 PolarHBondContact O-N 2.96Å; V299-L302 PolarHBondContact O-N 3.04Å; V299-N303 PolarHBondContact O-N 3.48Å; V299-N303 PolarHBondContact O-ND2 3.44Å; V299-F324 HydrophobicContact CG2-CB 4.28Å; V299-F324 HydrophobicContact CG2-CD1 3.48Å; V299-F324 VanDerWaalsContact CG2-CD1 3.48Å; V299-F324 HydrophobicContact CG2-CE1 4.28Å; V299-F324 HydrophobicContact CG2-CG 4.18Å
300	R	89.3	Confident	88.4	Confident	154 Å²	154	81.7 Å²	81.7	58%	0.581	42%	0.421	S	S	*	.	H	α-helix	trans	-59.9	-46.9	177.5	-173	-173.1	-63.2	157.1	0.2	111.3	V296 E297 L302 N303 N304	V296-R300 WeakPolarHBondContact O-CB 3.42Å; V296-R300 PolarHBondContact O-N 3.4Å; E297-R300 PolarHBondContact O-N 2.99Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.34Å; R300-N303 PolarHBondContact O-N 2.95Å; R300-N304 PolarHBondContact O-N 3.5Å; R300-N304 PolarHBondContact O-OD1 3.3Å
301	W	91.2	Very high	88.5	Confident	62 Å²	62	87 Å²	87	24%	0.235	44%	0.441	C	S	.	.	H	α-helix	trans	-61.1	-43.5	177.6	-174.7	94.6	0	0	0	111.7	M283 V284 V287 E297 K298 V299 N303 N304 F305	M283-W301 HydrophobicContact CE-CH2 4.25Å; M283-W301 HydrophobicContact CE-CZ2 3.72Å; M283-W301 HydrophobicContact CG-CH2 4.29Å; M283-W301 HydrophobicContact CG-CZ2 3.84Å; M283-W301 HydrophobicContact SD-CZ2 4.16Å; V284-W301 HydrophobicContact CB-CH2 4.11Å; V284-W301 HydrophobicContact CB-CZ3 4.14Å; V284-W301 HydrophobicContact CG1-CZ3 4.25Å; V284-W301 HydrophobicContact CG2-CH2 3.58Å; V284-W301 HydrophobicContact CG2-CZ3 3.77Å; V287-W301 HydrophobicContact CB-CD2 4.19Å; V287-W301 HydrophobicContact CB-CE3 4.11Å; V287-W301 HydrophobicContact CB-CH2 4.36Å; V287-W301 HydrophobicContact CB-CZ2 4.4Å; V287-W301 HydrophobicContact CB-CZ3 4.21Å; V287-W301 HydrophobicContact CG1-CB 4.35Å; V287-W301 HydrophobicContact CG1-CD2 3.65Å; V287-W301 HydrophobicContact CG1-CE3 3.66Å; V287-W301 HydrophobicContact CG1-CG 3.94Å; V287-W301 HydrophobicContact CG1-CZ3 4.24Å; V287-W301 HydrophobicContact CG2-CD2 4.09Å; V287-W301 HydrophobicContact CG2-CE3 4.43Å; V287-W301 HydrophobicContact CG2-CH2 4.22Å; V287-W301 HydrophobicContact CG2-CZ2 3.82Å; E297-W301 WeakPolarHBondContact O-CB 3.46Å; E297-W301 PolarHBondContact O-N 2.84Å; K298-W301 PolarHBondContact O-N 3.29Å; V299-W301 PolarHBondContact O-N 2.96Å; W301-N303 VanDerWaalsContact C-N 3.33Å; W301-N303 PolarHBondContact O-N 3.08Å; W301-N304 PolarHBondContact O-N 3.45Å; W301-F305 HydrophobicContact CE3-CB 4.27Å; W301-F305 HydrophobicContact CH2-CB 4.19Å; W301-F305 AromaticContact CH2-CD2 3.68Å; W301-F305 HydrophobicContact CH2-CD2 3.68Å; W301-F305 HydrophobicContact CH2-CE2 4.36Å; W301-F305 HydrophobicContact CH2-CG 4.08Å; W301-F305 HydrophobicContact CZ2-CD2 4.23Å; W301-F305 HydrophobicContact CZ3-CB 3.97Å; W301-F305 HydrophobicContact CZ3-CD2 4.2Å; W301-F305 HydrophobicContact CZ3-CG 4.13Å; W301-F305 PolarHBondContact O-N 3.31Å
302	L	90.3	Very high	88.6	Confident	7 Å²	7	80.2 Å²	80.2	4%	0.037	41%	0.405	C	S	.	.	H	α-helix	trans	-64.5	-37.3	179	-164.3	69.1	0	0	0	112.3	V284 M288 K298 V299 R300 F305 K306 Y313 L320 F324	V284-L302 HydrophobicContact CG1-CD1 4.34Å; M288-L302 HydrophobicContact CE-CD2 4.41Å; M288-L302 HydrophobicContact SD-CD1 4.25Å; K298-L302 WeakPolarHBondContact O-CB 3.43Å; K298-L302 PolarHBondContact O-N 3.24Å; V299-L302 PolarHBondContact O-N 3.04Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.34Å; L302-F305 PolarHBondContact O-N 3.1Å; L302-K306 WeakPolarHBondContact O-CB 3.2Å; L302-K306 PolarHBondContact O-N 2.93Å; L302-Y313 HydrophobicContact CD1-CD2 4.43Å; L302-Y313 HydrophobicContact CD1-CE2 3.76Å; L302-Y313 HydrophobicContact CD2-CE2 4.13Å; L302-Y313 HydrophobicContact CG-CE2 3.78Å; L302-L320 HydrophobicContact CD1-CD1 3.81Å; L302-L320 HydrophobicContact CD2-CB 4.03Å; L302-L320 HydrophobicContact CD2-CD1 4.26Å; L302-F324 HydrophobicContact CD2-CD2 3.96Å; L302-F324 HydrophobicContact CD2-CG 4.47Å
303	N	88.3	Confident	88.6	Confident	87 Å²	87	76.6 Å²	76.6	47%	0.465	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-42.7	173.8	-76.8	-25.6	0	0	0	111.9	V299 R300 W301 K306 Q307	V299-N303 PolarHBondContact O-N 3.48Å; V299-N303 PolarHBondContact O-ND2 3.44Å; R300-N303 PolarHBondContact O-N 2.95Å; W301-N303 VanDerWaalsContact C-N 3.33Å; W301-N303 PolarHBondContact O-N 3.08Å; N303-K306 PolarHBondContact O-N 2.68Å; N303-Q307 WeakPolarHBondContact O-CG 3.42Å; N303-Q307 PolarHBondContact O-N 3.29Å
304	N	90	Very high	88.8	Confident	87 Å²	87	81.3 Å²	81.3	47%	0.465	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-44.6	174.5	-66.2	-3.7	0	0	0	110.8	R300 W301 K306 Q307 E308	R300-N304 PolarHBondContact O-N 3.5Å; R300-N304 PolarHBondContact O-OD1 3.3Å; W301-N304 PolarHBondContact O-N 3.45Å; N304-K306 VanDerWaalsContact C-N 3.32Å; N304-K306 PolarHBondContact O-N 3.47Å; N304-Q307 PolarHBondContact O-N 2.89Å; N304-Q307 VanDerWaalsContact O-N 3.15Å; N304-E308 WeakPolarHBondContact O-CG 3.39Å; N304-E308 PolarHBondContact O-N 2.83Å
305	F	90.8	Very high	88.8	Confident	8 Å²	8	82.6 Å²	82.6	4%	0.035	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-40.4	176.3	-176.3	-87.5	0	0	0	112.3	L280 M283 V284 W301 L302 Q307 E308 Y309 L312 Y313 F317	L280-F305 HydrophobicContact CB-CE2 4.27Å; L280-F305 HydrophobicContact CB-CZ 4.45Å; L280-F305 HydrophobicContact CD2-CE2 4.27Å; M283-F305 HydrophobicContact CE-CD2 4.35Å; M283-F305 HydrophobicContact CE-CE2 4.35Å; V284-F305 HydrophobicContact CG2-CD1 3.99Å; V284-F305 HydrophobicContact CG2-CD2 3.83Å; V284-F305 HydrophobicContact CG2-CE1 3.67Å; V284-F305 HydrophobicContact CG2-CE2 3.49Å; V284-F305 VanDerWaalsContact CG2-CE2 3.49Å; V284-F305 HydrophobicContact CG2-CG 4.07Å; V284-F305 HydrophobicContact CG2-CZ 3.39Å; W301-F305 HydrophobicContact CE3-CB 4.27Å; W301-F305 HydrophobicContact CH2-CB 4.19Å; W301-F305 AromaticContact CH2-CD2 3.68Å; W301-F305 HydrophobicContact CH2-CD2 3.68Å; W301-F305 HydrophobicContact CH2-CE2 4.36Å; W301-F305 HydrophobicContact CH2-CG 4.08Å; W301-F305 HydrophobicContact CZ2-CD2 4.23Å; W301-F305 HydrophobicContact CZ3-CB 3.97Å; W301-F305 HydrophobicContact CZ3-CD2 4.2Å; W301-F305 HydrophobicContact CZ3-CG 4.13Å; W301-F305 PolarHBondContact O-N 3.31Å; L302-F305 PolarHBondContact O-N 3.1Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.19Å; F305-E308 PolarHBondContact O-N 3.42Å; F305-Y309 AromaticContact CD2-CD2 3.85Å; F305-Y309 HydrophobicContact CD2-CD2 3.85Å; F305-Y309 HydrophobicContact CD2-CE2 4.43Å; F305-Y309 AromaticContact CE2-CD2 3.76Å; F305-Y309 HydrophobicContact CE2-CD2 3.76Å; F305-Y309 HydrophobicContact CE2-CE2 4.38Å; F305-Y309 HydrophobicContact CE2-CG 4.44Å; F305-Y309 HydrophobicContact CG-CD2 4.4Å; F305-Y309 HydrophobicContact CZ-CD2 4.24Å; F305-Y309 PolarHBondContact O-N 3.42Å; F305-L312 HydrophobicContact CZ-CD2 3.92Å; F305-L312 HydrophobicContact CZ-CG 4.38Å; F305-Y313 HydrophobicContact CD1-CD2 4.02Å; F305-Y313 HydrophobicContact CE1-CD2 4.36Å; F305-F317 HydrophobicContact CE1-CD2 4.22Å; F305-F317 HydrophobicContact CE1-CE2 4.19Å; F305-F317 HydrophobicContact CZ-CE2 4.33Å
306	K	90.3	Very high	88.9	Confident	83 Å²	83	81.7 Å²	81.7	36%	0.361	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-34.5	176.2	-179.5	176.5	175.3	175.2	0	112.5	L302 N303 N304 P310 Y313 E321	L302-K306 WeakPolarHBondContact O-CB 3.2Å; L302-K306 PolarHBondContact O-N 2.93Å; N303-K306 PolarHBondContact O-N 2.68Å; N304-K306 VanDerWaalsContact C-N 3.32Å; N304-K306 PolarHBondContact O-N 3.47Å; K306-P310 WeakPolarHBondContact O-CA 3.48Å; K306-Y313 HydrophobicContact CB-CD1 4.35Å; K306-Y313 HydrophobicContact CB-CD2 4.22Å; K306-Y313 HydrophobicContact CB-CG 4.13Å; K306-Y313 HydrophobicContact CD-CD1 3.99Å; K306-Y313 HydrophobicContact CD-CE1 3.86Å; K306-Y313 HydrophobicContact CG-CD1 3.9Å; K306-Y313 HydrophobicContact CG-CE1 4.26Å; K306-Y313 HydrophobicContact CG-CG 4.11Å; K306-E321 IonicContact NZ-OE1 3.78Å; K306-E321 PolarHBondContact NZ-OE1 3.48Å
307	Q	89.8	Confident	89	Confident	152 Å²	152	77.5 Å²	77.5	71%	0.71	37%	0.368	S	S	*	.	H	α-helix	trans	-70.3	-44.3	176	-74.1	-178.8	-6.7	0	0	111.9	N303 N304 F305	N303-Q307 WeakPolarHBondContact O-CG 3.42Å; N303-Q307 PolarHBondContact O-N 3.29Å; N304-Q307 PolarHBondContact O-N 2.89Å; N304-Q307 VanDerWaalsContact O-N 3.15Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.19Å
308	E	87.9	Confident	88.4	Confident	140 Å²	140	77 Å²	77	65%	0.654	37%	0.372	S	S	*	.	H	α-helix	trans	-76.5	-36	-178	-65.4	-62.4	145.7	0	0	112.9	N304 F305 P310	N304-E308 WeakPolarHBondContact O-CG 3.39Å; N304-E308 PolarHBondContact O-N 2.83Å; F305-E308 PolarHBondContact O-N 3.42Å; E308-P310 VanDerWaalsContact C-CD 3.45Å; E308-P310 WeakPolarHBondContact O-CD 3.5Å
309	Y	90.3	Very high	87.8	Confident	98 Å²	98	81.2 Å²	81.2	38%	0.384	39%	0.39	S	S	.	.			trans	-128.9	59.9	-174.4	-53.9	-75.4	0	0	0	113	L280 F305 Q311 L312 Y313	L280-Y309 HydrophobicContact CD1-CD1 3.84Å; L280-Y309 HydrophobicContact CD1-CE1 3.65Å; L280-Y309 HydrophobicContact CD1-CE2 4.35Å; L280-Y309 HydrophobicContact CD1-CG 4.27Å; L280-Y309 HydrophobicContact CD2-CD2 4.4Å; L280-Y309 HydrophobicContact CD2-CE1 4.42Å; L280-Y309 HydrophobicContact CD2-CE2 3.82Å; F305-Y309 AromaticContact CD2-CD2 3.85Å; F305-Y309 HydrophobicContact CD2-CD2 3.85Å; F305-Y309 HydrophobicContact CD2-CE2 4.43Å; F305-Y309 AromaticContact CE2-CD2 3.76Å; F305-Y309 HydrophobicContact CE2-CD2 3.76Å; F305-Y309 HydrophobicContact CE2-CE2 4.38Å; F305-Y309 HydrophobicContact CE2-CG 4.44Å; F305-Y309 HydrophobicContact CG-CD2 4.4Å; F305-Y309 HydrophobicContact CZ-CD2 4.24Å; F305-Y309 PolarHBondContact O-N 3.42Å; Y309-Q311 PolarHBondContact O-N 3.43Å; Y309-L312 PolarHBondContact O-N 2.88Å; Y309-Y313 WeakPolarHBondContact O-CB 3.37Å; Y309-Y313 PolarHBondContact O-N 3.05Å
310	P	90	Very high	87.2	Confident	72 Å²	72	79.8 Å²	79.8	47%	0.468	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-38.5	-170.8	23	-33.8	0	0	0	113.6	K306 E308 K314	K306-P310 WeakPolarHBondContact O-CA 3.48Å; E308-P310 VanDerWaalsContact C-CD 3.45Å; E308-P310 WeakPolarHBondContact O-CD 3.5Å; P310-K314 WeakPolarHBondContact O-CB 3.38Å; P310-K314 PolarHBondContact O-N 2.96Å; P310-K314 VanDerWaalsContact O-N 3.1Å
311	Q	87.9	Confident	86	Confident	147 Å²	147	76.7 Å²	76.7	69%	0.687	37%	0.373	S	S	*	.	H	α-helix	trans	-71.4	-41.8	-179.9	-60.7	-61.3	-8.2	0	0	112	Y309 Y313 K314 S315	Y309-Q311 PolarHBondContact O-N 3.43Å; Q311-Y313 VanDerWaalsContact C-N 3.35Å; Q311-K314 PolarHBondContact O-N 2.81Å; Q311-S315 WeakPolarHBondContact O-CB 3.49Å; Q311-S315 PolarHBondContact O-N 3.11Å
312	L	88.1	Confident	84.4	Confident	24 Å²	24	80.4 Å²	80.4	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-42.5	177.4	-175.2	57.2	0	0	0	111	E277 L280 V281 F305 Y309 S315 K316	E277-L312 HydrophobicContact CG-CD1 3.45Å; E277-L312 VanDerWaalsContact CG-CD1 3.45Å; E277-L312 HydrophobicContact CG-CD2 4.35Å; L280-L312 HydrophobicContact CB-CD2 3.67Å; L280-L312 HydrophobicContact CD1-CD2 3.78Å; L280-L312 HydrophobicContact CG-CD2 4.39Å; V281-L312 HydrophobicContact CG2-CD1 4.21Å; F305-L312 HydrophobicContact CZ-CD2 3.92Å; F305-L312 HydrophobicContact CZ-CG 4.38Å; Y309-L312 PolarHBondContact O-N 2.88Å; L312-S315 PolarHBondContact O-N 3.23Å; L312-K316 HydrophobicContact CD1-CB 4.47Å; L312-K316 HydrophobicContact CD1-CG 3.64Å; L312-K316 PolarHBondContact O-N 3.42Å
313	Y	88.8	Confident	82.8	Confident	13 Å²	13	89.2 Å²	89.2	5%	0.051	43%	0.426	C	S	.	.	H	α-helix	trans	-58.7	-50.4	175.8	-174.4	-92.6	0	0	0	112.1	L302 F305 K306 Y309 Q311 S315 F317 E321	L302-Y313 HydrophobicContact CD1-CD2 4.43Å; L302-Y313 HydrophobicContact CD1-CE2 3.76Å; L302-Y313 HydrophobicContact CD2-CE2 4.13Å; L302-Y313 HydrophobicContact CG-CE2 3.78Å; F305-Y313 HydrophobicContact CD1-CD2 4.02Å; F305-Y313 HydrophobicContact CE1-CD2 4.36Å; K306-Y313 HydrophobicContact CB-CD1 4.35Å; K306-Y313 HydrophobicContact CB-CD2 4.22Å; K306-Y313 HydrophobicContact CB-CG 4.13Å; K306-Y313 HydrophobicContact CD-CD1 3.99Å; K306-Y313 HydrophobicContact CD-CE1 3.86Å; K306-Y313 HydrophobicContact CG-CD1 3.9Å; K306-Y313 HydrophobicContact CG-CE1 4.26Å; K306-Y313 HydrophobicContact CG-CG 4.11Å; Y309-Y313 WeakPolarHBondContact O-CB 3.37Å; Y309-Y313 PolarHBondContact O-N 3.05Å; Q311-Y313 VanDerWaalsContact C-N 3.35Å; Y313-S315 VanDerWaalsContact C-N 3.28Å; Y313-S315 PolarHBondContact O-N 3.29Å; Y313-F317 HydrophobicContact CD2-CB 4.07Å; Y313-F317 HydrophobicContact CE2-CB 4.12Å; Y313-F317 CarbonylContact O-C 3.59Å; Y313-F317 WeakPolarHBondContact O-CA 3.47Å; Y313-F317 WeakPolarHBondContact O-CB 3.36Å; Y313-F317 PolarHBondContact O-N 2.9Å; Y313-E321 HydrophobicContact CE1-CG 3.94Å; Y313-E321 WeakPolarHBondContact OH-CG 3.39Å
314	K	88.1	Confident	81.5	Confident	159 Å²	159	87.1 Å²	87.1	69%	0.691	41%	0.413	S	S	*	.	H	α-helix	trans	-61.4	-36.5	179.4	-172.1	177.9	179.5	-178	0	112.7	P310 Q311	P310-K314 WeakPolarHBondContact O-CB 3.38Å; P310-K314 PolarHBondContact O-N 2.96Å; P310-K314 VanDerWaalsContact O-N 3.1Å; Q311-K314 PolarHBondContact O-N 2.81Å
315	S	88	Confident	79.7	Confident	84 Å²	84	87.3 Å²	87.3	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-77.4	-48.5	-178.2	-180	0	0	0	0	113.2	Q311 L312 Y313	Q311-S315 WeakPolarHBondContact O-CB 3.49Å; Q311-S315 PolarHBondContact O-N 3.11Å; L312-S315 PolarHBondContact O-N 3.23Å; Y313-S315 VanDerWaalsContact C-N 3.28Å; Y313-S315 PolarHBondContact O-N 3.29Å
316	K	86.5	Confident	77.4	Confident	91 Å²	91	95 Å²	95	40%	0.396	46%	0.455	S	S	.	.	H	α-helix	trans	-100.1	-19.8	-169.7	-61.7	-66.7	-172.6	179.1	0	114.5	E277 V281 L312 P318 F319	E277-K316 WeakPolarHBondContact OE1-CE 3.42Å; E277-K316 IonicContact OE1-NZ 2.68Å; E277-K316 PolarHBondContact OE1-NZ 3.3Å; V281-K316 HydrophobicContact CG2-CB 4.25Å; V281-K316 HydrophobicContact CG2-CD 4.5Å; V281-K316 HydrophobicContact CG2-CG 3.94Å; L312-K316 HydrophobicContact CD1-CB 4.47Å; L312-K316 HydrophobicContact CD1-CG 3.64Å; L312-K316 PolarHBondContact O-N 3.42Å; K316-P318 VanDerWaalsContact C-CD 3.4Å; K316-F319 WeakPolarHBondContact O-CE1 3.3Å
317	F	86.9	Confident	75	Confident	8 Å²	8	97.3 Å²	97.3	4%	0.035	48%	0.476	C	S	.	.			trans	-130	35.9	-172.3	-56.3	-67.3	0	0	0	115.4	V281 V284 F305 Y313 F319 L320	V281-F317 HydrophobicContact CB-CZ 4.16Å; V281-F317 HydrophobicContact CG1-CZ 3.93Å; V281-F317 HydrophobicContact CG2-CE2 4.16Å; V281-F317 HydrophobicContact CG2-CZ 4.06Å; V284-F317 HydrophobicContact CB-CE1 3.97Å; V284-F317 HydrophobicContact CB-CE2 3.94Å; V284-F317 HydrophobicContact CB-CZ 3.51Å; V284-F317 HydrophobicContact CG1-CD1 3.96Å; V284-F317 HydrophobicContact CG1-CD2 4.36Å; V284-F317 HydrophobicContact CG1-CE1 3.59Å; V284-F317 HydrophobicContact CG1-CE2 4.03Å; V284-F317 HydrophobicContact CG1-CG 4.33Å; V284-F317 HydrophobicContact CG1-CZ 3.62Å; V284-F317 HydrophobicContact CG2-CD2 4.37Å; V284-F317 HydrophobicContact CG2-CE2 3.67Å; V284-F317 HydrophobicContact CG2-CZ 3.78Å; F305-F317 HydrophobicContact CE1-CD2 4.22Å; F305-F317 HydrophobicContact CE1-CE2 4.19Å; F305-F317 HydrophobicContact CZ-CE2 4.33Å; Y313-F317 HydrophobicContact CD2-CB 4.07Å; Y313-F317 HydrophobicContact CE2-CB 4.12Å; Y313-F317 CarbonylContact O-C 3.59Å; Y313-F317 WeakPolarHBondContact O-CA 3.47Å; Y313-F317 WeakPolarHBondContact O-CB 3.36Å; Y313-F317 PolarHBondContact O-N 2.9Å; F317-F319 HydrophobicContact CD1-CZ 4.03Å; F317-F319 PolarHBondContact O-N 3.19Å; F317-F319 VanDerWaalsContact O-N 3.15Å; F317-L320 HydrophobicContact CB-CB 4.42Å; F317-L320 HydrophobicContact CB-CD1 3.77Å; F317-L320 HydrophobicContact CB-CG 4.02Å; F317-L320 HydrophobicContact CD1-CD1 3.7Å; F317-L320 HydrophobicContact CD1-CG 4.29Å; F317-L320 HydrophobicContact CG-CD1 3.91Å; F317-L320 PolarHBondContact O-N 3.48Å; F317-L320 VanDerWaalsContact O-N 3.09Å
318	P	76.1	Confident	72.3	Confident	73 Å²	73	100.5 Å²	100.5	47%	0.474	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.6	-178.9	27.2	-35.1	0	0	0	112.8	K316 L320	K316-P318 VanDerWaalsContact C-CD 3.4Å; P318-L320 PolarHBondContact O-N 3.15Å
319	F	78	Confident	69.6	Low	117 Å²	117	100.1 Å²	100.1	51%	0.513	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.9	179.9	57.1	-93.4	0	0	0	114.2	K316 F317 E321 E322	K316-F319 WeakPolarHBondContact O-CE1 3.3Å; F317-F319 HydrophobicContact CD1-CZ 4.03Å; F317-F319 PolarHBondContact O-N 3.19Å; F317-F319 VanDerWaalsContact O-N 3.15Å; F319-E321 VanDerWaalsContact C-N 3.29Å; F319-E322 PolarHBondContact O-N 2.99Å
320	L	74.8	Confident	66.8	Low	10 Å²	10	106.3 Å²	106.3	5%	0.052	51%	0.512	C	S	.	.	H	α-helix	trans	-72.5	-26.1	178.7	-67	-174.8	0	0	0	111.5	V284 M288 L302 F317 P318 E322 R323 F324	V284-L320 HydrophobicContact CG1-CD1 3.95Å; M288-L320 HydrophobicContact CG-CD1 4.39Å; L302-L320 HydrophobicContact CD1-CD1 3.81Å; L302-L320 HydrophobicContact CD2-CB 4.03Å; L302-L320 HydrophobicContact CD2-CD1 4.26Å; F317-L320 HydrophobicContact CB-CB 4.42Å; F317-L320 HydrophobicContact CB-CD1 3.77Å; F317-L320 HydrophobicContact CB-CG 4.02Å; F317-L320 HydrophobicContact CD1-CD1 3.7Å; F317-L320 HydrophobicContact CD1-CG 4.29Å; F317-L320 HydrophobicContact CG-CD1 3.91Å; F317-L320 PolarHBondContact O-N 3.48Å; F317-L320 VanDerWaalsContact O-N 3.09Å; P318-L320 PolarHBondContact O-N 3.15Å; L320-E322 VanDerWaalsContact C-N 3.3Å; L320-E322 PolarHBondContact O-N 3.27Å; L320-R323 PolarHBondContact O-N 2.85Å; L320-F324 HydrophobicContact CB-CD2 4.46Å; L320-F324 HydrophobicContact CD2-CE2 4.18Å; L320-F324 VanDerWaalsContact O-CD2 3.3Å; L320-F324 WeakPolarHBondContact O-CD2 3.47Å; L320-F324 PolarHBondContact O-N 2.96Å
321	E	63.1	Low	63.9	Low	88 Å²	88	107.6 Å²	107.6	41%	0.411	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-39.3	173.6	-73.8	-171	157.2	0	0	111.8	K306 Y313 F319 R323 S325	K306-E321 IonicContact NZ-OE1 3.78Å; K306-E321 PolarHBondContact NZ-OE1 3.48Å; Y313-E321 HydrophobicContact CE1-CG 3.94Å; Y313-E321 WeakPolarHBondContact OH-CG 3.39Å; F319-E321 VanDerWaalsContact C-N 3.29Å; E321-R323 VanDerWaalsContact C-N 3.32Å; E321-R323 PolarHBondContact O-N 3.06Å; E321-S325 WeakPolarHBondContact O-CB 3.34Å; E321-S325 PolarHBondContact O-N 3.41Å; E321-S325 PolarHBondContact O-OG 2.96Å
322	E	57.8	Low	61.4	Low	141 Å²	141	110.9 Å²	110.9	66%	0.659	55%	0.553	S	S	*	*	H	α-helix	trans	-69.8	-30.1	179.7	-66.1	-172	168.6	0	0	113.3	F319 L320	F319-E322 PolarHBondContact O-N 2.99Å; L320-E322 VanDerWaalsContact C-N 3.3Å; L320-E322 PolarHBondContact O-N 3.27Å
323	R	58.2	Low	60.1	Low	192 Å²	192	115.2 Å²	115.2	73%	0.725	57%	0.574	S	S	*	*	H	α-helix	trans	-83.5	-27.6	-174.7	-153.8	173.6	-173.8	166.7	2	112.9	L320 E321	L320-R323 PolarHBondContact O-N 2.85Å; E321-R323 VanDerWaalsContact C-N 3.32Å; E321-R323 PolarHBondContact O-N 3.06Å
324	F	60.3	Low	58.6	Low	42 Å²	42	120.6 Å²	120.6	18%	0.184	60%	0.602	C	S	.	*	H	α-helix	trans	-104.7	-12.9	179.8	-68.3	-77.1	0	0	0	113.9	M288 H295 V299 L302 L320	M288-F324 HydrophobicContact CE-CD2 3.92Å; M288-F324 HydrophobicContact CE-CE1 3.85Å; M288-F324 HydrophobicContact CE-CE2 2.98Å; M288-F324 HydrophobicContact CE-CZ 2.94Å; H295-F324 AromaticContact CE1-CD1 3.87Å; H295-F324 AromaticContact NE2-CD1 3.56Å; H295-F324 AromaticContact NE2-CE1 3.68Å; V299-F324 HydrophobicContact CG2-CB 4.28Å; V299-F324 HydrophobicContact CG2-CD1 3.48Å; V299-F324 VanDerWaalsContact CG2-CD1 3.48Å; V299-F324 HydrophobicContact CG2-CE1 4.28Å; V299-F324 HydrophobicContact CG2-CG 4.18Å; L302-F324 HydrophobicContact CD2-CD2 3.96Å; L302-F324 HydrophobicContact CD2-CG 4.47Å; L320-F324 HydrophobicContact CB-CD2 4.46Å; L320-F324 HydrophobicContact CD2-CE2 4.18Å; L320-F324 VanDerWaalsContact O-CD2 3.3Å; L320-F324 WeakPolarHBondContact O-CD2 3.47Å; L320-F324 PolarHBondContact O-N 2.96Å
325	S	52.5	Low	56.9	Low	92 Å²	92	118.4 Å²	118.4	64%	0.643	60%	0.597	S	S	*	*	S	Bend	trans	-86.2	-6.9	173.9	-52.9	0	0	0	0	113.8	E321 T327	E321-S325 WeakPolarHBondContact O-CB 3.34Å; E321-S325 PolarHBondContact O-N 3.41Å; E321-S325 PolarHBondContact O-OG 2.96Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact O-N 3.48Å; S325-T327 VanDerWaalsContact O-N 3.15Å
326	K	42.1	Very low	55.1	Low	170 Å²	170	120.5 Å²	120.5	74%	0.739	60%	0.597	S	S	*	*			trans	-88.4	67.2	174.8	-74.6	-177.2	-178.4	175.1	0	111.8	R328	K326-R328 PolarHBondContact O-N 3.28Å
327	T	39	Very low	53.1	Low	131 Å²	131	122.3 Å²	122.3	80%	0.804	61%	0.61	S	S	*	*			trans	-86.9	71.6	145.3	-35.8	0	0	0	0	106.7	S325	S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact O-N 3.48Å; S325-T327 VanDerWaalsContact O-N 3.15Å
328	R	34	Very low	50.9	Low	218 Å²	218	129.9 Å²	129.9	82%	0.823	65%	0.648	S	S	*	*			trans	-125.7	105.3	169.1	-92.9	-170.9	-172.3	177.6	3.6	109	K326	K326-R328 PolarHBondContact O-N 3.28Å
329	I	31.2	Very low	49.1	Very low	133 Å²	133	134 Å²	134	68%	0.682	66%	0.66	S	S	*	*			trans	83.7	84.2	147.2	-45.5	157.6	0	0	0	115.6
330	F	30.5	Very low	46.9	Very low	228 Å²	228	135.3 Å²	135.3	100%	1	67%	0.672	S	S	*	*			trans	-119.9	91.9	132.5	-79.7	-76.7	0	0	0	107
331	S	29.5	Very low	44.5	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	72%	0.723	S	S	*	*			trans	-139.3	80.2	164.7	61.6	0	0	0	0	107.3
332	T	36.4	Very low	42.9	Very low	216 Å²	216	151 Å²	151	100%	1.325	75%	0.752	S	S	*	*			trans	-152.2	0	143.4	-35.9	0	0	0	0	107.1

Retrieved 332 of 332 residues in 444.8 ms (Link to these results)

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