A0A5K4F6Z6_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6Z6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 757 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	52.8	Low	77.2	Confident	224 Å²	224	138.5 Å²	138.5	100%	1.103	66%	0.657	S	S	*	*				0	-39.3	0	-146.6	159.9	164.4	0	0	112.8	L3 K4	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.11Å; M1-K4 PolarHBondContact O-N 3.04Å
2	I	63.3	Low	78	Confident	153 Å²	153	136.3 Å²	136.3	79%	0.785	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-63.8	-29.3	178.1	-61.2	171.1	0	0	0	113.9	K4	I2-K4 PolarHBondContact O-N 2.97Å; I2-K4 VanDerWaalsContact O-N 3.14Å
3	L	67.9	Low	78.6	Confident	106 Å²	106	133.3 Å²	133.3	56%	0.555	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-63.4	-18.8	-179.4	-82.3	151.8	0	0	0	115.6	M1 L6 K11 L14	M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.11Å; L3-L6 HydrophobicContact CD2-CD1 4.27Å; L3-K11 VanDerWaalsContact O-CE 3.28Å; L3-K11 WeakPolarHBondContact O-CE 3.45Å; L3-L14 HydrophobicContact CD2-CD2 3.74Å
4	K	75.1	Confident	79	Confident	189 Å²	189	129.2 Å²	129.2	82%	0.822	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-74	-25	-175.9	-88.9	-173.8	174.8	-178.7	0	113.7	M1 I2	M1-K4 PolarHBondContact O-N 3.04Å; I2-K4 PolarHBondContact O-N 2.97Å; I2-K4 VanDerWaalsContact O-N 3.14Å
5	N	80.5	Confident	79.3	Confident	158 Å²	158	124.7 Å²	124.7	85%	0.845	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-96.9	3.3	-177.1	-81.9	-5.8	0	0	0	115.1
6	L	81.1	Confident	79.7	Confident	42 Å²	42	123.6 Å²	123.6	22%	0.22	61%	0.606	C	S	.	*			trans	-80.9	132.8	180	-65.8	172.4	0	0	0	111.5	L3 Q10 K11 L14	L3-L6 HydrophobicContact CD2-CD1 4.27Å; L6-Q10 HydrophobicContact CB-CB 3.89Å; L6-Q10 HydrophobicContact CD2-CB 3.85Å; L6-Q10 HydrophobicContact CD2-CG 4.29Å; L6-Q10 HydrophobicContact CG-CB 4.33Å; L6-K11 HydrophobicContact CB-CG 3.86Å; L6-K11 WeakPolarHBondContact O-CE 3.35Å; L6-L14 HydrophobicContact CD1-CD2 4.25Å
7	S	88.3	Confident	80.1	Confident	59 Å²	59	123.1 Å²	123.1	41%	0.413	61%	0.605	S	S	.	*			trans	-58.6	158.8	169.7	68.8	0	0	0	0	111.2	R9 Q10 K11	S7-R9 PolarHBondContact O-N 3.16Å; S7-R9 VanDerWaalsContact O-N 3.11Å; S7-Q10 PolarHBondContact O-N 3.14Å; S7-Q10 WeakPolarHBondContact OG-CG 3.34Å; S7-Q10 PolarHBondContact OG-N 3.14Å; S7-Q10 PolarHBondContact OG-OE1 3.34Å; S7-K11 PolarHBondContact O-N 3.49Å
8	K	84.2	Confident	80.3	Confident	197 Å²	197	120.7 Å²	120.7	86%	0.857	60%	0.599	S	S	*	*	H	α-helix	trans	-50.8	-37.5	174.7	-95	-175.9	175.2	-179.6	0	112.4	L12	K8-L12 PolarHBondContact O-N 3.27Å; K8-L12 VanDerWaalsContact O-N 3.14Å
9	R	85.8	Confident	80.6	Confident	206 Å²	206	119.8 Å²	119.8	78%	0.777	60%	0.595	S	S	*	*	H	α-helix	trans	-67.5	-43.3	178.9	-134.6	-179.7	-172.7	-172.7	1.4	111.8	S7 L12 I13	S7-R9 PolarHBondContact O-N 3.16Å; S7-R9 VanDerWaalsContact O-N 3.11Å; R9-L12 PolarHBondContact O-N 3.06Å; R9-I13 WeakPolarHBondContact O-CG1 3.28Å; R9-I13 PolarHBondContact O-N 3.32Å
10	Q	85.9	Confident	80.8	Confident	94 Å²	94	115.9 Å²	115.9	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-67.5	-38	177.1	-75.1	166.9	-41.8	0	0	112.5	L6 S7 L12 I13 L14	L6-Q10 HydrophobicContact CB-CB 3.89Å; L6-Q10 HydrophobicContact CD2-CB 3.85Å; L6-Q10 HydrophobicContact CD2-CG 4.29Å; L6-Q10 HydrophobicContact CG-CB 4.33Å; S7-Q10 PolarHBondContact O-N 3.14Å; S7-Q10 WeakPolarHBondContact OG-CG 3.34Å; S7-Q10 PolarHBondContact OG-N 3.14Å; S7-Q10 PolarHBondContact OG-OE1 3.34Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 2.92Å; Q10-I13 PolarHBondContact O-N 3.46Å; Q10-L14 WeakPolarHBondContact O-CB 3.34Å; Q10-L14 PolarHBondContact O-N 2.66Å
11	K	84.5	Confident	80.8	Confident	95 Å²	95	113.3 Å²	113.3	41%	0.413	58%	0.584	S	S	.	*	H	α-helix	trans	-62	-40	174	-71.2	-178.8	-179.8	174.5	0	111.7	L3 L6 S7 L14 S15	L3-K11 VanDerWaalsContact O-CE 3.28Å; L3-K11 WeakPolarHBondContact O-CE 3.45Å; L6-K11 HydrophobicContact CB-CG 3.86Å; L6-K11 WeakPolarHBondContact O-CE 3.35Å; S7-K11 PolarHBondContact O-N 3.49Å; K11-L14 PolarHBondContact O-N 2.98Å; K11-S15 WeakPolarHBondContact O-CB 3.46Å; K11-S15 PolarHBondContact O-N 3.47Å; K11-S15 PolarHBondContact O-OG 3.01Å
12	L	86.4	Confident	82.2	Confident	113 Å²	113	107.5 Å²	107.5	59%	0.592	56%	0.556	S	S	*	*	H	α-helix	trans	-64.2	-45.7	176.2	-167.3	73.8	0	0	0	111.5	K8 R9 Q10 L14 S15 I16	K8-L12 PolarHBondContact O-N 3.27Å; K8-L12 VanDerWaalsContact O-N 3.14Å; R9-L12 PolarHBondContact O-N 3.06Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 2.92Å; L12-L14 PolarHBondContact O-N 3.34Å; L12-S15 WeakPolarHBondContact O-CB 3.44Å; L12-S15 PolarHBondContact O-N 3.47Å; L12-I16 HydrophobicContact CG-CD1 4.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.28Å; L12-I16 PolarHBondContact O-N 3Å
13	I	86.4	Confident	83.1	Confident	97 Å²	97	103.7 Å²	103.7	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-45.3	176.9	-66.3	165.9	0	0	0	111	R9 Q10 S15 I16 L17	R9-I13 WeakPolarHBondContact O-CG1 3.28Å; R9-I13 PolarHBondContact O-N 3.32Å; Q10-I13 PolarHBondContact O-N 3.46Å; I13-S15 VanDerWaalsContact C-N 3.29Å; I13-S15 PolarHBondContact O-N 3.01Å; I13-I16 PolarHBondContact O-N 3.4Å; I13-L17 HydrophobicContact CG2-CD1 4.06Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.4Å
14	L	84.3	Confident	83.5	Confident	76 Å²	76	101.6 Å²	101.6	40%	0.398	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-38.1	178.3	-154	81.6	0	0	0	111.6	L3 L6 Q10 K11 L12 L17 V18	L3-L14 HydrophobicContact CD2-CD2 3.74Å; L6-L14 HydrophobicContact CD1-CD2 4.25Å; Q10-L14 WeakPolarHBondContact O-CB 3.34Å; Q10-L14 PolarHBondContact O-N 2.66Å; K11-L14 PolarHBondContact O-N 2.98Å; L12-L14 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 3.23Å; L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.46Å; L14-V18 PolarHBondContact O-N 3.22Å
15	S	82.5	Confident	83.4	Confident	61 Å²	61	95.9 Å²	95.9	43%	0.427	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-42	176.4	-51.9	0	0	0	0	111.5	K11 L12 I13 V18 I19	K11-S15 WeakPolarHBondContact O-CB 3.46Å; K11-S15 PolarHBondContact O-N 3.47Å; K11-S15 PolarHBondContact O-OG 3.01Å; L12-S15 WeakPolarHBondContact O-CB 3.44Å; L12-S15 PolarHBondContact O-N 3.47Å; I13-S15 VanDerWaalsContact C-N 3.29Å; I13-S15 PolarHBondContact O-N 3.01Å; S15-V18 PolarHBondContact O-N 3.46Å; S15-I19 WeakPolarHBondContact O-CB 3.48Å; S15-I19 WeakPolarHBondContact O-CD1 3.48Å; S15-I19 WeakPolarHBondContact O-CG1 3.45Å; S15-I19 PolarHBondContact O-N 3.39Å
16	I	87.1	Confident	83.3	Confident	107 Å²	107	91.8 Å²	91.8	55%	0.549	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-42.1	177.5	-67.1	165.5	0	0	0	110.8	L12 I13 I19 G20	L12-I16 HydrophobicContact CG-CD1 4.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.28Å; L12-I16 PolarHBondContact O-N 3Å; I13-I16 PolarHBondContact O-N 3.4Å; I16-I19 PolarHBondContact O-N 3.38Å; I16-G20 PolarHBondContact O-N 3.42Å
17	L	84.9	Confident	83.1	Confident	115 Å²	115	94 Å²	94	60%	0.602	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-42.3	177.6	-74.1	168.5	0	0	0	112.4	I13 L14 G20 A21	I13-L17 HydrophobicContact CG2-CD1 4.06Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.4Å; L14-L17 PolarHBondContact O-N 3.23Å; L17-G20 PolarHBondContact O-N 2.95Å; L17-A21 PolarHBondContact O-N 2.92Å
18	V	85	Confident	82.1	Confident	80 Å²	80	96.8 Å²	96.8	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-42.5	177.2	172.1	0	0	0	0	111	L14 S15 G20 A21 I22	L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.46Å; L14-V18 PolarHBondContact O-N 3.22Å; S15-V18 PolarHBondContact O-N 3.46Å; V18-G20 VanDerWaalsContact C-N 3.33Å; V18-G20 PolarHBondContact O-N 2.98Å; V18-A21 PolarHBondContact O-N 3.36Å; V18-I22 HydrophobicContact CG1-CD1 3.8Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.27Å; V18-I22 PolarHBondContact O-N 2.77Å
19	I	86.2	Confident	81.1	Confident	104 Å²	104	91 Å²	91	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-41.7	175.5	-67.7	165.5	0	0	0	110.5	S15 I16 A21 I22 C23	S15-I19 WeakPolarHBondContact O-CB 3.48Å; S15-I19 WeakPolarHBondContact O-CD1 3.48Å; S15-I19 WeakPolarHBondContact O-CG1 3.45Å; S15-I19 PolarHBondContact O-N 3.39Å; I16-I19 PolarHBondContact O-N 3.38Å; I19-A21 PolarHBondContact O-N 3.5Å; I19-I22 PolarHBondContact O-N 3.31Å; I19-C23 WeakPolarHBondContact O-CB 3.21Å; I19-C23 PolarHBondContact O-N 2.89Å; I19-C23 PolarHBondContact O-SG 3.48Å; I19-C23 VanDerWaalsContact O-SG 3.4Å
20	G	84.5	Confident	80.3	Confident	41 Å²	41	85.3 Å²	85.3	42%	0.423	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.8	0	0	0	0	0	113.2	I16 L17 V18 C23 A24	I16-G20 PolarHBondContact O-N 3.42Å; L17-G20 PolarHBondContact O-N 2.95Å; V18-G20 VanDerWaalsContact C-N 3.33Å; V18-G20 PolarHBondContact O-N 2.98Å; G20-C23 PolarHBondContact O-N 2.85Å; G20-A24 PolarHBondContact O-N 3.02Å
21	A	79.5	Confident	79	Confident	63 Å²	63	87.5 Å²	87.5	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-65.7	-40.5	177.9	0	0	0	0	0	112.5	L17 V18 I19 A24 S25	L17-A21 PolarHBondContact O-N 2.92Å; V18-A21 PolarHBondContact O-N 3.36Å; I19-A21 PolarHBondContact O-N 3.5Å; A21-A24 PolarHBondContact O-N 3.4Å; A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 3.35Å
22	I	83.2	Confident	77.5	Confident	101 Å²	101	87.9 Å²	87.9	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-43	176.1	-66	167.1	0	0	0	110.4	V18 I19 A24 S25 V26	V18-I22 HydrophobicContact CG1-CD1 3.8Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.27Å; V18-I22 PolarHBondContact O-N 2.77Å; I19-I22 PolarHBondContact O-N 3.31Å; I22-A24 PolarHBondContact O-N 3.5Å; I22-S25 PolarHBondContact O-N 3.39Å; I22-V26 HydrophobicContact CG2-CG2 4.43Å; I22-V26 VanDerWaalsContact O-CG2 3.31Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.39Å
23	C	81.1	Confident	76	Confident	73 Å²	73	86.6 Å²	86.6	49%	0.493	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-41.9	176	-75.4	0	0	0	0	112.3	I19 G20 V26 V27	I19-C23 WeakPolarHBondContact O-CB 3.21Å; I19-C23 PolarHBondContact O-N 2.89Å; I19-C23 PolarHBondContact O-SG 3.48Å; I19-C23 VanDerWaalsContact O-SG 3.4Å; G20-C23 PolarHBondContact O-N 2.85Å; C23-V26 PolarHBondContact O-N 3.19Å; C23-V27 VanDerWaalsContact O-CG2 3.27Å; C23-V27 WeakPolarHBondContact O-CG2 3.5Å; C23-V27 PolarHBondContact O-N 3.2Å
24	A	76.1	Confident	74.3	Confident	62 Å²	62	91.1 Å²	91.1	51%	0.512	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-43.3	177.3	0	0	0	0	0	112.2	G20 A21 I22 V27 L28	G20-A24 PolarHBondContact O-N 3.02Å; A21-A24 PolarHBondContact O-N 3.4Å; I22-A24 PolarHBondContact O-N 3.5Å; A24-V27 PolarHBondContact O-N 3.36Å; A24-L28 WeakPolarHBondContact O-CB 3.12Å; A24-L28 PolarHBondContact O-N 2.98Å
25	S	74.9	Confident	72.5	Confident	69 Å²	69	93.6 Å²	93.6	48%	0.483	53%	0.525	S	S	.	.	H	α-helix	trans	-59	-47.3	174.2	159.1	0	0	0	0	111.9	A21 I22 V27 L28 T29	A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 3.35Å; I22-S25 PolarHBondContact O-N 3.39Å; S25-V27 PolarHBondContact O-N 2.77Å; S25-L28 PolarHBondContact O-N 2.83Å; S25-T29 PolarHBondContact O-N 2.95Å; S25-T29 PolarHBondContact O-OG1 3.35Å
26	V	77.8	Confident	70.6	Confident	72 Å²	72	97.1 Å²	97.1	44%	0.436	54%	0.539	S	S	.	.	H	α-helix	trans	-66	-40.1	-179.7	173.6	0	0	0	0	111.3	I22 C23 T29 I30	I22-V26 HydrophobicContact CG2-CG2 4.43Å; I22-V26 VanDerWaalsContact O-CG2 3.31Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.39Å; C23-V26 PolarHBondContact O-N 3.19Å; V26-T29 PolarHBondContact O-N 3.37Å; V26-I30 HydrophobicContact CG1-CD1 3.71Å; V26-I30 HydrophobicContact CG1-CG1 4.37Å; V26-I30 WeakPolarHBondContact O-CB 3.37Å; V26-I30 VanDerWaalsContact O-CG1 3.24Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 3.32Å
27	V	77	Confident	68.7	Low	88 Å²	88	100 Å²	100	53%	0.533	55%	0.547	S	S	.	.	H	α-helix	trans	-64.9	-42.8	176.5	172.8	0	0	0	0	111.2	C23 A24 S25 T29 I30 F31	C23-V27 VanDerWaalsContact O-CG2 3.27Å; C23-V27 WeakPolarHBondContact O-CG2 3.5Å; C23-V27 PolarHBondContact O-N 3.2Å; A24-V27 PolarHBondContact O-N 3.36Å; S25-V27 PolarHBondContact O-N 2.77Å; V27-T29 VanDerWaalsContact C-N 3.32Å; V27-T29 PolarHBondContact O-N 3.01Å; V27-I30 PolarHBondContact O-N 2.99Å; V27-F31 WeakPolarHBondContact O-CB 3.3Å; V27-F31 PolarHBondContact O-N 2.71Å
28	L	66.7	Low	66.6	Low	119 Å²	119	98.6 Å²	98.6	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-63.1	-40.4	177.2	-153.8	80.3	0	0	0	111.5	A24 S25 F31 L32	A24-L28 WeakPolarHBondContact O-CB 3.12Å; A24-L28 PolarHBondContact O-N 2.98Å; S25-L28 PolarHBondContact O-N 2.83Å; L28-F31 PolarHBondContact O-N 2.7Å; L28-L32 WeakPolarHBondContact O-CB 3.24Å; L28-L32 PolarHBondContact O-N 3.21Å
29	T	63.6	Low	64.4	Low	76 Å²	76	101.3 Å²	101.3	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-67.7	-40.7	177.7	-38.5	0	0	0	0	111.3	S25 V26 V27 L32 V33	S25-T29 PolarHBondContact O-N 2.95Å; S25-T29 PolarHBondContact O-OG1 3.35Å; V26-T29 PolarHBondContact O-N 3.37Å; V27-T29 VanDerWaalsContact C-N 3.32Å; V27-T29 PolarHBondContact O-N 3.01Å; T29-L32 PolarHBondContact O-N 2.76Å; T29-V33 WeakPolarHBondContact O-CB 2.95Å; T29-V33 VanDerWaalsContact O-CG2 3.22Å; T29-V33 WeakPolarHBondContact O-CG2 3.2Å; T29-V33 PolarHBondContact O-N 3.34Å
30	I	69	Low	61.8	Low	85 Å²	85	101.1 Å²	101.1	44%	0.436	56%	0.562	S	S	.	*	H	α-helix	trans	-66.9	-37.6	175.7	-68.6	168.2	0	0	0	111.2	V26 V27 R34	V26-I30 HydrophobicContact CG1-CD1 3.71Å; V26-I30 HydrophobicContact CG1-CG1 4.37Å; V26-I30 WeakPolarHBondContact O-CB 3.37Å; V26-I30 VanDerWaalsContact O-CG1 3.24Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 3.32Å; V27-I30 PolarHBondContact O-N 2.99Å; I30-R34 WeakPolarHBondContact O-CB 3.29Å; I30-R34 PolarHBondContact O-N 2.8Å
31	F	58.6	Low	59.3	Low	141 Å²	141	106.8 Å²	106.8	62%	0.618	58%	0.583	S	S	*	*	H	α-helix	trans	-66.4	-44.9	176.3	-120.2	-87.4	0	0	0	111.5	V27 L28 V33 R34 H35	V27-F31 WeakPolarHBondContact O-CB 3.3Å; V27-F31 PolarHBondContact O-N 2.71Å; L28-F31 PolarHBondContact O-N 2.7Å; F31-V33 PolarHBondContact O-N 3.14Å; F31-R34 PolarHBondContact O-N 3.02Å; F31-H35 WeakPolarHBondContact O-CB 3.37Å; F31-H35 PolarHBondContact O-N 3.23Å
32	L	52.6	Low	57.1	Low	103 Å²	103	111.8 Å²	111.8	54%	0.539	60%	0.601	S	S	.	*	H	α-helix	trans	-61.5	-43.4	174.7	-83	159.8	0	0	0	111.9	L28 T29 H35 L36	L28-L32 WeakPolarHBondContact O-CB 3.24Å; L28-L32 PolarHBondContact O-N 3.21Å; T29-L32 PolarHBondContact O-N 2.76Å; L32-H35 PolarHBondContact O-N 3.45Å; L32-L36 WeakPolarHBondContact O-CB 3.33Å; L32-L36 VanDerWaalsContact O-CG 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 3Å
33	V	54.4	Low	54.8	Low	85 Å²	85	115.5 Å²	115.5	52%	0.515	62%	0.616	S	S	.	*	H	α-helix	trans	-67.3	-37.7	177.4	172.9	0	0	0	0	111.6	T29 F31 K37	T29-V33 WeakPolarHBondContact O-CB 2.95Å; T29-V33 VanDerWaalsContact O-CG2 3.22Å; T29-V33 WeakPolarHBondContact O-CG2 3.2Å; T29-V33 PolarHBondContact O-N 3.34Å; F31-V33 PolarHBondContact O-N 3.14Å; V33-K37 WeakPolarHBondContact O-CB 3.47Å; V33-K37 PolarHBondContact O-N 3.43Å
34	R	52.1	Low	52.4	Low	192 Å²	192	119.8 Å²	119.8	73%	0.725	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-37.2	175	-90.9	-176.5	170	155	-1.9	112.7	I30 F31 L36 K37 S38	I30-R34 WeakPolarHBondContact O-CB 3.29Å; I30-R34 PolarHBondContact O-N 2.8Å; F31-R34 PolarHBondContact O-N 3.02Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-K37 PolarHBondContact O-N 3.06Å; R34-S38 PolarHBondContact O-N 3.36Å
35	H	46.1	Very low	50.2	Low	129 Å²	129	124.9 Å²	124.9	60%	0.597	65%	0.652	S	S	*	*	H	α-helix	trans	-69.7	-33.3	177.5	-126.6	-38	0	0	0	112.1	F31 L32	F31-H35 WeakPolarHBondContact O-CB 3.37Å; F31-H35 PolarHBondContact O-N 3.23Å; L32-H35 PolarHBondContact O-N 3.45Å
36	L	43.3	Very low	48.2	Very low	134 Å²	134	126.8 Å²	126.8	70%	0.702	67%	0.666	S	S	*	*	H	α-helix	trans	-73.6	-27.4	173.3	-72.9	166	0	0	0	112.9	L32 R34	L32-L36 WeakPolarHBondContact O-CB 3.33Å; L32-L36 VanDerWaalsContact O-CG 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.42Å; L32-L36 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact C-N 3.33Å
37	K	46.2	Very low	46	Very low	168 Å²	168	128.1 Å²	128.1	73%	0.73	68%	0.675	S	S	*	*	H	α-helix	trans	-88.3	-11.2	-178.7	-129.1	174.8	-174	177.9	0	115.1	V33 R34	V33-K37 WeakPolarHBondContact O-CB 3.47Å; V33-K37 PolarHBondContact O-N 3.43Å; R34-K37 PolarHBondContact O-N 3.06Å
38	S	41.7	Very low	44.1	Very low	85 Å²	85	129.7 Å²	129.7	59%	0.594	69%	0.687	S	S	*	*	S	Bend	trans	-90.4	-3.2	178.2	89.5	0	0	0	0	114.4	R34	R34-S38 PolarHBondContact O-N 3.36Å
39	N	37.4	Very low	42.9	Very low	137 Å²	137	129.2 Å²	129.2	73%	0.733	69%	0.69	S	S	*	*	S	Bend	trans	-101.5	17.7	-176.2	-90.3	4.1	0	0	0	114.7
40	T	32.9	Very low	42	Very low	100 Å²	100	129.7 Å²	129.7	61%	0.613	70%	0.702	S	S	*	*			trans	-135.4	94.5	178.2	44.5	0	0	0	0	109.8
41	N	32.1	Very low	40.8	Very low	161 Å²	161	129.1 Å²	129.1	86%	0.861	71%	0.709	S	S	*	*			trans	168	82.6	154.8	-83.5	-17.2	0	0	0	109.3
42	N	32.4	Very low	40.4	Very low	168 Å²	168	126.4 Å²	126.4	90%	0.898	71%	0.706	S	S	*	*			trans	-173.4	129.5	134.8	-102.1	-12.3	0	0	0	109.6	D44	N42-D44 PolarHBondContact O-N 2.52Å
43	E	34.1	Very low	40.2	Very low	179 Å²	179	124.4 Å²	124.4	84%	0.836	70%	0.698	S	S	*	*			trans	-68.3	114.9	-178.5	-64.7	167.8	141.5	0	0	110.3
44	D	31.9	Very low	40.1	Very low	163 Å²	163	125.4 Å²	125.4	87%	0.872	70%	0.7	S	S	*	*			trans	-165.9	79.8	144.4	-101.1	-24.1	0	0	0	105.8	N42 S46	N42-D44 PolarHBondContact O-N 2.52Å; D44-S46 PolarHBondContact O-N 2.79Å
45	L	29.7	Very low	40.3	Very low	169 Å²	169	118.1 Å²	118.1	89%	0.885	68%	0.675	S	S	*	*			trans	-81.5	92.6	-173.9	-79.1	159.4	0	0	0	110.4
46	S	32	Very low	40.7	Very low	109 Å²	109	116.5 Å²	116.5	76%	0.762	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-102.2	119.7	146.7	-60.5	0	0	0	0	106.8	D44	D44-S46 PolarHBondContact O-N 2.79Å
47	P	32.9	Very low	41	Very low	99 Å²	99	113 Å²	113	64%	0.643	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-69.8	142.1	-169.1	29.3	-33.8	0	0	0	110.5	T49	P47-T49 PolarHBondContact O-N 3.38Å
48	P	37.4	Very low	41.5	Very low	121 Å²	121	106 Å²	106	79%	0.786	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-66.4	118.5	165.7	27.8	-29.2	0	0	0	108.3	A50	P48-A50 VanDerWaalsContact C-N 3.3Å; P48-A50 PolarHBondContact O-N 2.97Å
49	T	40.2	Very low	41.9	Very low	110 Å²	110	108 Å²	108	68%	0.675	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	53.3	-167.8	31.1	0	0	0	0	114.9	P47 T71	P47-T49 PolarHBondContact O-N 3.38Å; T49-T71 HydrophobicContact CG2-CG2 3.54Å
50	A	45	Very low	42.6	Very low	86 Å²	86	108.8 Å²	108.8	71%	0.711	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	9.2	179.7	0	0	0	0	0	117.6	P48	P48-A50 VanDerWaalsContact C-N 3.3Å; P48-A50 PolarHBondContact O-N 2.97Å
51	A	44.5	Very low	43.2	Very low	73 Å²	73	108.1 Å²	108.1	60%	0.603	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-87.7	133.7	-179.5	0	0	0	0	0	112.2	A73	A51-A73 WeakPolarHBondContact O-CB 3.33Å
52	P	49.2	Very low	43.8	Very low	83 Å²	83	102.5 Å²	102.5	54%	0.539	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-65.2	145.3	174.2	24.3	-30.9	0	0	0	112.1	P74	P52-P74 WeakPolarHBondContact CA-O 3.4Å; P52-P74 HydrophobicContact CB-CG 4.22Å; P52-P74 VanDerWaalsContact CB-O 3.26Å; P52-P74 WeakPolarHBondContact CB-O 3.43Å
53	V	49.1	Very low	44.2	Very low	61 Å²	61	101.7 Å²	101.7	37%	0.37	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	122.9	175.1	179.4	0	0	0	0	108.9	I55 P74 L76	V53-I55 HydrophobicContact CG1-CG1 4.29Å; V53-P74 PolarHBondContact N-O 2.99Å; V53-L76 PolarHBondContact O-N 3.37Å
54	L	51.5	Low	44.7	Very low	106 Å²	106	98.2 Å²	98.2	56%	0.555	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.7	116.5	176.1	179.3	72.7	0	0	0	110.2	T56 L76 T78	L54-T56 HydrophobicContact CD2-CG2 4.31Å; L54-T56 HydrophobicContact CG-CG2 4.34Å; L54-L76 CarbonylContact C-O 3.55Å; L54-L76 WeakPolarHBondContact CA-O 3.45Å; L54-L76 HydrophobicContact CD1-CB 4.18Å; L54-L76 HydrophobicContact CD1-CD2 3.45Å; L54-L76 VanDerWaalsContact CD1-CD2 3.45Å; L54-L76 HydrophobicContact CD1-CG 3.74Å; L54-T78 HydrophobicContact CD1-CG2 3.78Å
55	I	57.9	Low	45.5	Very low	39 Å²	39	98.6 Å²	98.6	20%	0.2	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	113	172.7	-59.7	178.4	0	0	0	107.7	V53 V58 L67 V75 L76 I77 T78	V53-I55 HydrophobicContact CG1-CG1 4.29Å; I55-V58 HydrophobicContact CG2-CG2 3.69Å; I55-L67 HydrophobicContact CD1-CD2 3.91Å; I55-V75 HydrophobicContact CD1-CG1 3.81Å; I55-V75 HydrophobicContact CG1-CG1 4.33Å; I55-L76 PolarHBondContact N-O 3.38Å; I55-I77 HydrophobicContact CB-CG1 4.23Å; I55-I77 HydrophobicContact CD1-CG1 4.24Å; I55-I77 HydrophobicContact CG2-CG2 4.5Å; I55-I77 CarbonylContact O-C 3.24Å; I55-I77 WeakPolarHBondContact O-CA 3.31Å; I55-T78 PolarHBondContact O-N 3.38Å; I55-T78 PolarHBondContact O-OG1 3.5Å
56	T	52.5	Low	46.2	Very low	95 Å²	95	96.3 Å²	96.3	58%	0.583	55%	0.552	S	S	*	*			trans	-79.9	-27.4	-171.9	49.8	0	0	0	0	114.4	L54 T78	L54-T56 HydrophobicContact CD2-CG2 4.31Å; L54-T56 HydrophobicContact CG-CG2 4.34Å; T56-T78 WeakPolarHBondContact CA-OG1 3.44Å; T56-T78 PolarHBondContact O-OG1 3.33Å
57	E	49.8	Very low	46.8	Very low	61 Å²	61	94 Å²	94	29%	0.285	53%	0.531	S	S	.	.			trans	-163.9	125.7	-175.7	-156.1	177	173.8	0	0	108.9	K59 E79 K81	E57-K59 VanDerWaalsContact CD-NZ 3.33Å; E57-K59 HydrophobicContact CG-CG 4.19Å; E57-K59 WeakPolarHBondContact OE1-CE 3.49Å; E57-K59 IonicContact OE1-NZ 2.77Å; E57-K59 PolarHBondContact OE1-NZ 3.48Å; E57-K59 WeakPolarHBondContact OE2-CE 3.27Å; E57-K59 IonicContact OE2-NZ 3.4Å; E57-K59 PolarHBondContact OE2-NZ 2.97Å; E57-E79 HydrophobicContact CG-CB 4.46Å; E57-K81 WeakPolarHBondContact OE1-CE 3.49Å; E57-K81 IonicContact OE1-NZ 3.33Å; E57-K81 PolarHBondContact OE1-NZ 3.05Å
58	V	57.1	Low	47.3	Very low	21 Å²	21	93.3 Å²	93.3	13%	0.127	53%	0.528	C	S	.	.	B	Isolated β-bridge	trans	-102	110.3	172	-178	0	0	0	0	108.3	I55 E60 V62 I77 E79	I55-V58 HydrophobicContact CG2-CG2 3.69Å; V58-E60 WeakPolarHBondContact CG1-O 3.33Å; V58-V62 HydrophobicContact CG1-CG2 3.83Å; V58-I77 HydrophobicContact CG2-CG2 3.91Å; V58-E79 PolarHBondContact N-O 3.03Å
59	K	51.3	Low	47.6	Very low	127 Å²	127	90 Å²	90	55%	0.552	51%	0.507	S	S	*	.			trans	-104.5	-15.3	-176.1	-74.6	-174.2	177.7	152.9	0	115	E57	E57-K59 VanDerWaalsContact CD-NZ 3.33Å; E57-K59 HydrophobicContact CG-CG 4.19Å; E57-K59 WeakPolarHBondContact OE1-CE 3.49Å; E57-K59 IonicContact OE1-NZ 2.77Å; E57-K59 PolarHBondContact OE1-NZ 3.48Å; E57-K59 WeakPolarHBondContact OE2-CE 3.27Å; E57-K59 IonicContact OE2-NZ 3.4Å; E57-K59 PolarHBondContact OE2-NZ 2.97Å
60	E	50.9	Low	47.8	Very low	154 Å²	154	91.1 Å²	91.1	72%	0.72	52%	0.516	S	S	*	.	S	Bend	trans	-147.1	153.5	-179.2	-69.5	-172.9	176.7	0	0	107.7	V58 V62	V58-E60 WeakPolarHBondContact CG1-O 3.33Å; E60-V62 PolarHBondContact O-N 3.41Å; E60-V62 VanDerWaalsContact O-N 3.11Å
61	P	45.2	Very low	48.1	Very low	86 Å²	86	89.2 Å²	89.2	56%	0.558	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-55.7	118.2	176.6	20.2	-31	0	0	0	110.3	K63	P61-K63 PolarHBondContact O-N 3.21Å
62	V	46.1	Very low	48.5	Very low	42 Å²	42	89.9 Å²	89.9	26%	0.255	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-74.9	118.9	178.2	-174.2	0	0	0	0	107	V58 E60 D66 L67	V58-V62 HydrophobicContact CG1-CG2 3.83Å; E60-V62 PolarHBondContact O-N 3.41Å; E60-V62 VanDerWaalsContact O-N 3.11Å; V62-D66 HydrophobicContact CG1-CB 3.55Å; V62-L67 HydrophobicContact CB-CD1 4.23Å; V62-L67 HydrophobicContact CG1-CD1 3.89Å; V62-L67 HydrophobicContact CG1-CD2 4.35Å; V62-L67 HydrophobicContact CG1-CG 3.66Å
63	K	40.2	Very low	48.7	Very low	152 Å²	152	86.5 Å²	86.5	66%	0.661	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-69.7	147.8	178.7	-66.4	178.5	-179	175.6	0	108.9	P61 E65 D66	P61-K63 PolarHBondContact O-N 3.21Å; K63-E65 PolarHBondContact O-N 2.69Å; K63-D66 WeakPolarHBondContact O-CB 3.33Å; K63-D66 PolarHBondContact O-N 2.67Å
64	D	44.5	Very low	48.9	Very low	106 Å²	106	86.3 Å²	86.3	57%	0.567	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-45.7	-30.3	178.4	-75.5	-32.8	0	0	0	114.3	D66 S68	D64-D66 VanDerWaalsContact C-N 3.3Å; D64-D66 PolarHBondContact O-N 2.65Å; D64-S68 PolarHBondContact O-OG 3.22Å
65	E	48.4	Very low	49.1	Very low	170 Å²	170	82.5 Å²	82.5	79%	0.794	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-70.6	-21.3	179.6	-65	178.6	164.9	0	0	113.7	K63	K63-E65 PolarHBondContact O-N 2.69Å
66	D	45.5	Very low	49	Very low	121 Å²	121	83.2 Å²	83.2	65%	0.647	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-90.6	-13.6	-175.4	-65	-40.4	0	0	0	113.4	V62 K63 D64	V62-D66 HydrophobicContact CG1-CB 3.55Å; K63-D66 WeakPolarHBondContact O-CB 3.33Å; K63-D66 PolarHBondContact O-N 2.67Å; D64-D66 VanDerWaalsContact C-N 3.3Å; D64-D66 PolarHBondContact O-N 2.65Å
67	L	43.3	Very low	49.5	Very low	61 Å²	61	79.4 Å²	79.4	32%	0.319	44%	0.441	S	S	.	.	S	Bend	trans	-105.5	24.7	-177.8	-75.3	169	0	0	0	114.2	I55 V62 P69	I55-L67 HydrophobicContact CD1-CD2 3.91Å; V62-L67 HydrophobicContact CB-CD1 4.23Å; V62-L67 HydrophobicContact CG1-CD1 3.89Å; V62-L67 HydrophobicContact CG1-CD2 4.35Å; V62-L67 HydrophobicContact CG1-CG 3.66Å; L67-P69 WeakPolarHBondContact O-CD 3.33Å
68	S	43.6	Very low	49.9	Very low	84 Å²	84	78.4 Å²	78.4	59%	0.587	44%	0.44	S	S	*	.			trans	-103.8	74.4	-174.7	-63.2	0	0	0	0	114	D64	D64-S68 PolarHBondContact O-OG 3.22Å
69	P	42.9	Very low	49.7	Very low	53 Å²	53	78.9 Å²	78.9	34%	0.344	44%	0.44	S	S	.	.			trans	-86.2	146.9	163.6	33.2	-28.3	0	0	0	111.1	L67 T71	L67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-T71 PolarHBondContact O-N 2.78Å
70	P	46.2	Very low	50.1	Low	133 Å²	133	73.5 Å²	73.5	86%	0.864	42%	0.418	S	S	*	.	S	Bend	trans	-74.3	20.3	-172.7	-12.7	29	0	0	0	116
71	T	50.6	Low	50.3	Low	45 Å²	45	69.9 Å²	69.9	28%	0.276	40%	0.4	S	S	.	.	S	Bend	trans	-146.4	143.9	-164.3	36.2	0	0	0	0	114.4	T49 P69 A73	T49-T71 HydrophobicContact CG2-CG2 3.54Å; P69-T71 PolarHBondContact O-N 2.78Å; T71-A73 PolarHBondContact O-N 2.9Å
72	A	53.5	Low	50.8	Low	87 Å²	87	71 Å²	71	72%	0.719	40%	0.397	S	S	*	.			trans	-66.3	33.4	176.9	0	0	0	0	0	115.2
73	A	52.5	Low	50.9	Low	12 Å²	12	73.1 Å²	73.1	10%	0.099	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-86.9	140.5	178.5	0	0	0	0	0	110.6	A51 T71	A51-A73 WeakPolarHBondContact O-CB 3.33Å; T71-A73 PolarHBondContact O-N 2.9Å
74	P	53.8	Low	51.4	Low	58 Å²	58	68.2 Å²	68.2	38%	0.377	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-66.2	145.7	178	20	-24.2	0	0	0	112.2	P52 V53 P96	P52-P74 WeakPolarHBondContact CA-O 3.4Å; P52-P74 HydrophobicContact CB-CG 4.22Å; P52-P74 VanDerWaalsContact CB-O 3.26Å; P52-P74 WeakPolarHBondContact CB-O 3.43Å; V53-P74 PolarHBondContact N-O 2.99Å; P74-P96 WeakPolarHBondContact CA-O 3.32Å; P74-P96 HydrophobicContact CB-CG 4.28Å; P74-P96 WeakPolarHBondContact CB-O 3.32Å
75	V	55.3	Low	51.5	Low	26 Å²	26	69.7 Å²	69.7	16%	0.158	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.5	175.7	-177.2	0	0	0	0	108.8	I55 I77 P96 V97 L98	I55-V75 HydrophobicContact CD1-CG1 3.81Å; I55-V75 HydrophobicContact CG1-CG1 4.33Å; V75-I77 HydrophobicContact CG1-CG1 4.16Å; V75-P96 PolarHBondContact N-O 3.47Å; V75-V97 WeakPolarHBondContact O-CA 3.38Å; V75-L98 PolarHBondContact O-N 2.88Å
76	L	56.7	Low	51.2	Low	53 Å²	53	65.1 Å²	65.1	28%	0.277	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	110.8	179.4	-178.9	63.7	0	0	0	109.2	V53 L54 I55 L98 T100	V53-L76 PolarHBondContact O-N 3.37Å; L54-L76 CarbonylContact C-O 3.55Å; L54-L76 WeakPolarHBondContact CA-O 3.45Å; L54-L76 HydrophobicContact CD1-CB 4.18Å; L54-L76 HydrophobicContact CD1-CD2 3.45Å; L54-L76 VanDerWaalsContact CD1-CD2 3.45Å; L54-L76 HydrophobicContact CD1-CG 3.74Å; I55-L76 PolarHBondContact N-O 3.38Å; L76-L98 CarbonylContact C-O 3.47Å; L76-L98 WeakPolarHBondContact CA-O 3.44Å; L76-L98 HydrophobicContact CD1-CB 3.78Å; L76-L98 HydrophobicContact CD1-CD2 3.5Å; L76-L98 VanDerWaalsContact CD1-CD2 3.5Å; L76-L98 HydrophobicContact CD1-CG 3.88Å; L76-T100 HydrophobicContact CD1-CG2 3.94Å
77	I	62.3	Low	51.5	Low	15 Å²	15	66.7 Å²	66.7	8%	0.077	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	177.9	-56.6	175.4	0	0	0	108.5	I55 V58 V75 V80 V97 L98 I99 T100	I55-I77 HydrophobicContact CB-CG1 4.23Å; I55-I77 HydrophobicContact CD1-CG1 4.24Å; I55-I77 HydrophobicContact CG2-CG2 4.5Å; I55-I77 CarbonylContact O-C 3.24Å; I55-I77 WeakPolarHBondContact O-CA 3.31Å; V58-I77 HydrophobicContact CG2-CG2 3.91Å; V75-I77 HydrophobicContact CG1-CG1 4.16Å; I77-V80 HydrophobicContact CG2-CG2 3.66Å; I77-V97 HydrophobicContact CD1-CG1 3.96Å; I77-V97 HydrophobicContact CG1-CG1 4.41Å; I77-L98 PolarHBondContact N-O 2.78Å; I77-I99 HydrophobicContact CB-CG1 4.38Å; I77-I99 HydrophobicContact CD1-CG1 4.42Å; I77-I99 CarbonylContact O-C 3.46Å; I77-I99 WeakPolarHBondContact O-CA 3.24Å; I77-T100 PolarHBondContact O-N 3.19Å
78	T	57.6	Low	51.6	Low	41 Å²	41	66.3 Å²	66.3	25%	0.252	38%	0.379	S	S	.	.			trans	-85.4	-28	-175.2	58.2	0	0	0	0	115	L54 I55 T56 T100 E101	L54-T78 HydrophobicContact CD1-CG2 3.78Å; I55-T78 PolarHBondContact O-N 3.38Å; I55-T78 PolarHBondContact O-OG1 3.5Å; T56-T78 WeakPolarHBondContact CA-OG1 3.44Å; T56-T78 PolarHBondContact O-OG1 3.33Å; T78-T100 VanDerWaalsContact C-OG1 3.32Å; T78-T100 WeakPolarHBondContact CA-OG1 3.38Å; T78-T100 PolarHBondContact O-OG1 2.99Å; T78-E101 WeakPolarHBondContact O-CB 3.46Å; T78-E101 PolarHBondContact O-N 2.99Å
79	E	53.8	Low	51.6	Low	31 Å²	31	66.2 Å²	66.2	15%	0.145	37%	0.372	C	S	.	.			trans	-153	125.2	-177.2	-161.1	178.6	-178.3	0	0	111.1	E57 V58 K81 K103	E57-E79 HydrophobicContact CG-CB 4.46Å; V58-E79 PolarHBondContact N-O 3.03Å; E79-K81 HydrophobicContact CG-CG 4.36Å; E79-K81 WeakPolarHBondContact OE1-CE 3.38Å; E79-K81 IonicContact OE1-NZ 2.77Å; E79-K81 PolarHBondContact OE1-NZ 3.23Å; E79-K81 IonicContact OE2-NZ 2.94Å; E79-K103 HydrophobicContact CG-CD 4.47Å; E79-K103 VanDerWaalsContact OE1-CE 3.27Å; E79-K103 WeakPolarHBondContact OE1-CE 3.4Å; E79-K103 IonicContact OE1-NZ 2.73Å; E79-K103 PolarHBondContact OE1-NZ 2.87Å
80	V	58.8	Low	51.8	Low	13 Å²	13	67.4 Å²	67.4	8%	0.079	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-114.3	119	174.1	-177.3	0	0	0	0	109.4	I77 E82 V84 I99 E101 K103	I77-V80 HydrophobicContact CG2-CG2 3.66Å; V80-E82 WeakPolarHBondContact CG1-O 3.07Å; V80-V84 HydrophobicContact CG1-CG2 3.88Å; V80-I99 HydrophobicContact CG2-CG2 3.9Å; V80-E101 PolarHBondContact N-O 3.34Å; V80-K103 PolarHBondContact O-N 3.35Å
81	K	56.2	Low	51.8	Low	79 Å²	79	63.6 Å²	63.6	34%	0.343	36%	0.356	S	S	.	.			trans	-106.8	-5	-173.1	-73.8	-172.4	177.8	170.7	0	116	E57 E79	E57-K81 WeakPolarHBondContact OE1-CE 3.49Å; E57-K81 IonicContact OE1-NZ 3.33Å; E57-K81 PolarHBondContact OE1-NZ 3.05Å; E79-K81 HydrophobicContact CG-CG 4.36Å; E79-K81 WeakPolarHBondContact OE1-CE 3.38Å; E79-K81 IonicContact OE1-NZ 2.77Å; E79-K81 PolarHBondContact OE1-NZ 3.23Å; E79-K81 IonicContact OE2-NZ 2.94Å
82	E	54.2	Low	51.7	Low	108 Å²	108	67.3 Å²	67.3	51%	0.505	38%	0.381	S	S	.	.	S	Bend	trans	-138.8	153.8	177.9	-77.3	-161.9	167	0	0	110.6	V80 V84	V80-E82 WeakPolarHBondContact CG1-O 3.07Å; E82-V84 PolarHBondContact O-N 2.9Å
83	P	49.1	Very low	51.5	Low	87 Å²	87	65.9 Å²	65.9	57%	0.565	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-71.1	118.1	-176.4	27.3	-29	0	0	0	109.8	E104	P83-E104 WeakPolarHBondContact CD-OE2 3.49Å
84	V	49.7	Very low	51.4	Low	49 Å²	49	69.8 Å²	69.8	30%	0.297	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-88.1	123.7	177.6	-166.7	0	0	0	0	107.8	V80 E82 D88 L89	V80-V84 HydrophobicContact CG1-CG2 3.88Å; E82-V84 PolarHBondContact O-N 2.9Å; V84-D88 HydrophobicContact CG1-CB 3.52Å; V84-L89 HydrophobicContact CB-CD1 3.86Å; V84-L89 HydrophobicContact CB-CG 4.28Å; V84-L89 HydrophobicContact CG1-CD1 3.63Å; V84-L89 HydrophobicContact CG1-CD2 4.29Å; V84-L89 HydrophobicContact CG1-CG 3.49Å; V84-L89 VanDerWaalsContact CG1-CG 3.49Å
85	K	46.6	Very low	51.2	Low	138 Å²	138	67.5 Å²	67.5	60%	0.6	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-75.9	153.8	177.3	-64.2	177.1	-179.4	174.5	0	109.3	E87 D88	K85-E87 PolarHBondContact O-N 3.43Å; K85-D88 PolarHBondContact N-OD2 2.98Å; K85-D88 WeakPolarHBondContact O-CA 3.38Å; K85-D88 WeakPolarHBondContact O-CB 3.4Å; K85-D88 PolarHBondContact O-N 3.1Å
86	D	43.9	Very low	51	Low	74 Å²	74	69.1 Å²	69.1	40%	0.396	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-47.5	-33.1	174.6	-93.7	-15.2	0	0	0	113.8	D88 D110	D86-D88 PolarHBondContact O-N 3.49Å; D86-D110 VanDerWaalsContact OD1-CA 3.31Å; D86-D110 WeakPolarHBondContact OD1-CA 3.45Å
87	E	50.6	Low	50.7	Low	154 Å²	154	67.6 Å²	67.6	72%	0.72	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21.6	178.4	-64.5	174.3	172.3	0	0	113.1	K85	K85-E87 PolarHBondContact O-N 3.43Å
88	D	46.1	Very low	50.3	Low	53 Å²	53	69.9 Å²	69.9	28%	0.283	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-98	-3.2	-174.9	-57.4	-44.3	0	0	0	113.1	V84 K85 D86	V84-D88 HydrophobicContact CG1-CB 3.52Å; K85-D88 PolarHBondContact N-OD2 2.98Å; K85-D88 WeakPolarHBondContact O-CA 3.38Å; K85-D88 WeakPolarHBondContact O-CB 3.4Å; K85-D88 PolarHBondContact O-N 3.1Å; D86-D88 PolarHBondContact O-N 3.49Å
89	L	42.9	Very low	50.2	Low	82 Å²	82	68.6 Å²	68.6	43%	0.429	39%	0.389	S	S	.	.			trans	-122.8	35.9	-179.7	-78.5	168.1	0	0	0	113.5	V84 P91	V84-L89 HydrophobicContact CB-CD1 3.86Å; V84-L89 HydrophobicContact CB-CG 4.28Å; V84-L89 HydrophobicContact CG1-CD1 3.63Å; V84-L89 HydrophobicContact CG1-CD2 4.29Å; V84-L89 HydrophobicContact CG1-CG 3.49Å; V84-L89 VanDerWaalsContact CG1-CG 3.49Å; L89-P91 WeakPolarHBondContact O-CD 3.09Å
90	S	47.4	Very low	50.2	Low	77 Å²	77	69 Å²	69	54%	0.538	39%	0.394	S	S	.	.			trans	-97.5	77.7	177	-69.1	0	0	0	0	111.7
91	P	46.3	Very low	49.9	Very low	54 Å²	54	69.9 Å²	69.9	35%	0.351	40%	0.397	S	S	.	.			trans	-69.6	133.9	174.5	30.1	-32.5	0	0	0	108.9	L89 T93	L89-P91 WeakPolarHBondContact O-CD 3.09Å; P91-T93 PolarHBondContact O-N 3.3Å
92	P	48	Very low	49.8	Very low	122 Å²	122	67.1 Å²	67.1	79%	0.792	39%	0.387	S	S	*	.	S	Bend	trans	-71.1	10.6	174.4	27.1	-32.2	0	0	0	113.6
93	T	50	Low	49.8	Very low	57 Å²	57	65.9 Å²	65.9	35%	0.35	38%	0.38	S	S	.	.	S	Bend	trans	-123.3	136.8	-169.6	42.4	0	0	0	0	113.2	P91 A95	P91-T93 PolarHBondContact O-N 3.3Å; T93-A95 PolarHBondContact O-N 2.92Å
94	A	50.4	Low	50	Low	95 Å²	95	66.1 Å²	66.1	79%	0.785	37%	0.373	S	S	*	.	S	Bend	trans	-67.9	21.5	178.2	0	0	0	0	0	115.4
95	A	49.9	Very low	49.7	Very low	9 Å²	9	66.8 Å²	66.8	7%	0.074	38%	0.378	C	S	.	.			trans	-97.5	137.9	-177.5	0	0	0	0	0	110.8	T93	T93-A95 PolarHBondContact O-N 2.92Å
96	P	51	Low	49.7	Very low	60 Å²	60	62.5 Å²	62.5	39%	0.39	36%	0.364	S	S	.	.			trans	-70.6	145.3	179.5	26.4	-30.7	0	0	0	112	P74 V75 P118	P74-P96 WeakPolarHBondContact CA-O 3.32Å; P74-P96 HydrophobicContact CB-CG 4.28Å; P74-P96 WeakPolarHBondContact CB-O 3.32Å; V75-P96 PolarHBondContact N-O 3.47Å; P96-P118 HydrophobicContact CB-CG 4.46Å; P96-P118 WeakPolarHBondContact CB-O 3.02Å
97	V	50.9	Low	49.7	Very low	21 Å²	21	66.1 Å²	66.1	13%	0.127	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.2	173.4	-177.8	0	0	0	0	108.6	V75 I77 I99 L120	V75-V97 WeakPolarHBondContact O-CA 3.38Å; I77-V97 HydrophobicContact CD1-CG1 3.96Å; I77-V97 HydrophobicContact CG1-CG1 4.41Å; V97-I99 HydrophobicContact CG1-CG1 4.2Å; V97-L120 PolarHBondContact O-N 2.91Å
98	L	52.5	Low	49.3	Very low	64 Å²	64	64.9 Å²	64.9	34%	0.335	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.9	176.7	-165.8	72.1	0	0	0	109.4	V75 L76 I77 L120 T122	V75-L98 PolarHBondContact O-N 2.88Å; L76-L98 CarbonylContact C-O 3.47Å; L76-L98 WeakPolarHBondContact CA-O 3.44Å; L76-L98 HydrophobicContact CD1-CB 3.78Å; L76-L98 HydrophobicContact CD1-CD2 3.5Å; L76-L98 VanDerWaalsContact CD1-CD2 3.5Å; L76-L98 HydrophobicContact CD1-CG 3.88Å; I77-L98 PolarHBondContact N-O 2.78Å; L98-L120 WeakPolarHBondContact CA-O 3.24Å; L98-L120 HydrophobicContact CD1-CB 3.49Å; L98-L120 VanDerWaalsContact CD1-CB 3.49Å; L98-L120 HydrophobicContact CD1-CD2 4.23Å; L98-L120 HydrophobicContact CD1-CG 4.49Å; L98-T122 HydrophobicContact CD1-CG2 3.77Å; L98-T122 HydrophobicContact CD2-CG2 4.47Å; L98-T122 HydrophobicContact CG-CG2 4.2Å
99	I	56.8	Low	49.4	Very low	13 Å²	13	69.9 Å²	69.9	7%	0.067	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.5	177.1	-54.2	177.3	0	0	0	108.6	I77 V80 V97 V102 V119 L120 I121 T122	I77-I99 HydrophobicContact CB-CG1 4.38Å; I77-I99 HydrophobicContact CD1-CG1 4.42Å; I77-I99 CarbonylContact O-C 3.46Å; I77-I99 WeakPolarHBondContact O-CA 3.24Å; V80-I99 HydrophobicContact CG2-CG2 3.9Å; V97-I99 HydrophobicContact CG1-CG1 4.2Å; I99-V102 HydrophobicContact CG2-CG2 3.62Å; I99-V119 HydrophobicContact CD1-CG1 4.11Å; I99-L120 PolarHBondContact N-O 3.02Å; I99-I121 HydrophobicContact CB-CG1 4.39Å; I99-I121 WeakPolarHBondContact O-CA 3.45Å; I99-T122 PolarHBondContact O-N 3.1Å
100	T	53.8	Low	49.5	Very low	39 Å²	39	68.5 Å²	68.5	24%	0.239	39%	0.389	C	S	.	.	S	Bend	trans	-85.6	-28.9	-175.8	68.7	0	0	0	0	114.9	L76 I77 T78 T122 E123	L76-T100 HydrophobicContact CD1-CG2 3.94Å; I77-T100 PolarHBondContact O-N 3.19Å; T78-T100 VanDerWaalsContact C-OG1 3.32Å; T78-T100 WeakPolarHBondContact CA-OG1 3.38Å; T78-T100 PolarHBondContact O-OG1 2.99Å; T100-T122 VanDerWaalsContact CA-OG1 3.26Å; T100-T122 WeakPolarHBondContact CA-OG1 3.33Å; T100-T122 PolarHBondContact O-OG1 3.12Å; T100-E123 VanDerWaalsContact O-CB 3.25Å; T100-E123 WeakPolarHBondContact O-CB 3.48Å; T100-E123 PolarHBondContact O-N 3.43Å
101	E	50.8	Low	49.1	Very low	33 Å²	33	69.7 Å²	69.7	15%	0.154	39%	0.389	C	S	.	.			trans	-149.7	122.1	-178.6	-163.4	173.9	-173.8	0	0	110.9	T78 V80 K103 K125	T78-E101 WeakPolarHBondContact O-CB 3.46Å; T78-E101 PolarHBondContact O-N 2.99Å; V80-E101 PolarHBondContact N-O 3.34Å; E101-K103 VanDerWaalsContact CD-CE 3.44Å; E101-K103 HydrophobicContact CG-CG 4.38Å; E101-K103 WeakPolarHBondContact OE1-CE 3.17Å; E101-K103 IonicContact OE1-NZ 2.89Å; E101-K125 HydrophobicContact CG-CD 4.49Å; E101-K125 WeakPolarHBondContact OE1-CD 3.05Å; E101-K125 WeakPolarHBondContact OE1-CE 3.27Å; E101-K125 IonicContact OE1-NZ 3.61Å; E101-K125 PolarHBondContact OE1-NZ 3.18Å; E101-K125 IonicContact OE2-NZ 2.64Å
102	V	55.5	Low	48.7	Very low	20 Å²	20	71 Å²	71	12%	0.121	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-111.8	122.1	173	-178	0	0	0	0	108.8	I99 E104 V106 I121	I99-V102 HydrophobicContact CG2-CG2 3.62Å; V102-E104 WeakPolarHBondContact CG1-O 3.29Å; V102-V106 HydrophobicContact CG1-CG2 4.38Å; V102-I121 HydrophobicContact CG2-CD1 4.4Å; V102-I121 HydrophobicContact CG2-CG2 3.99Å
103	K	54.3	Low	48.3	Very low	82 Å²	82	69.1 Å²	69.1	36%	0.357	39%	0.387	S	S	.	.			trans	-102.8	2	-174.8	-72.2	-172.2	175.4	174.9	0	115.5	E79 V80 E101	E79-K103 HydrophobicContact CG-CD 4.47Å; E79-K103 VanDerWaalsContact OE1-CE 3.27Å; E79-K103 WeakPolarHBondContact OE1-CE 3.4Å; E79-K103 IonicContact OE1-NZ 2.73Å; E79-K103 PolarHBondContact OE1-NZ 2.87Å; V80-K103 PolarHBondContact O-N 3.35Å; E101-K103 VanDerWaalsContact CD-CE 3.44Å; E101-K103 HydrophobicContact CG-CG 4.38Å; E101-K103 WeakPolarHBondContact OE1-CE 3.17Å; E101-K103 IonicContact OE1-NZ 2.89Å
104	E	51.9	Low	47.8	Very low	92 Å²	92	72.7 Å²	72.7	43%	0.43	41%	0.411	S	S	.	.	S	Bend	trans	-139.3	153.5	178	-76.1	-152	173.3	0	0	112.8	P83 V102 V106	P83-E104 WeakPolarHBondContact CD-OE2 3.49Å; V102-E104 WeakPolarHBondContact CG1-O 3.29Å; E104-V106 PolarHBondContact O-N 3.39Å
105	P	44.4	Very low	47.3	Very low	63 Å²	63	72.6 Å²	72.6	41%	0.409	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-70.5	126.7	-170.7	26.2	-34.4	0	0	0	113.7
106	V	46.9	Very low	46.9	Very low	49 Å²	49	77.4 Å²	77.4	30%	0.297	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-87.3	134.4	170.1	-173.7	0	0	0	0	109.1	V102 E104 D110 L111	V102-V106 HydrophobicContact CG1-CG2 4.38Å; E104-V106 PolarHBondContact O-N 3.39Å; V106-D110 HydrophobicContact CG1-CB 3.8Å; V106-L111 HydrophobicContact CG1-CD1 4.18Å; V106-L111 HydrophobicContact CG1-CD2 4.18Å; V106-L111 HydrophobicContact CG1-CG 3.81Å
107	K	44.1	Very low	46.5	Very low	149 Å²	149	75.5 Å²	75.5	65%	0.648	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-84.9	152.2	177.5	-64.5	176.1	-179.4	172.5	0	110.1	E109 D110	K107-E109 PolarHBondContact O-N 3.5Å; K107-D110 WeakPolarHBondContact CB-OD2 3.48Å; K107-D110 PolarHBondContact N-OD2 3.23Å; K107-D110 PolarHBondContact O-N 3.01Å
108	D	41.1	Very low	46.2	Very low	129 Å²	129	78.3 Å²	78.3	69%	0.69	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-52.6	-25	179.8	-88.1	-26.6	0	0	0	114.2	D110	D108-D110 VanDerWaalsContact C-N 3.33Å
109	E	48.2	Very low	45.8	Very low	158 Å²	158	79.3 Å²	79.3	74%	0.738	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-75.5	-21.8	179.1	-69.1	167.1	174.1	0	0	112.4	K107	K107-E109 PolarHBondContact O-N 3.5Å
110	D	44.4	Very low	45.3	Very low	52 Å²	52	83.4 Å²	83.4	28%	0.278	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-96.4	10.7	-172.9	-52.7	-51.7	0	0	0	114.1	D86 V106 K107 D108	D86-D110 VanDerWaalsContact OD1-CA 3.31Å; D86-D110 WeakPolarHBondContact OD1-CA 3.45Å; V106-D110 HydrophobicContact CG1-CB 3.8Å; K107-D110 WeakPolarHBondContact CB-OD2 3.48Å; K107-D110 PolarHBondContact N-OD2 3.23Å; K107-D110 PolarHBondContact O-N 3.01Å; D108-D110 VanDerWaalsContact C-N 3.33Å
111	L	39.3	Very low	44.9	Very low	102 Å²	102	84.5 Å²	84.5	53%	0.534	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-118.8	15.9	-177.6	-74.9	172.1	0	0	0	113.9	V106 P113	V106-L111 HydrophobicContact CG1-CD1 4.18Å; V106-L111 HydrophobicContact CG1-CD2 4.18Å; V106-L111 HydrophobicContact CG1-CG 3.81Å; L111-P113 VanDerWaalsContact O-CD 3.25Å; L111-P113 WeakPolarHBondContact O-CD 3.47Å
112	S	38.4	Very low	44.5	Very low	81 Å²	81	86 Å²	86	57%	0.566	49%	0.494	S	S	*	.			trans	-102.1	94.8	175.7	-61.6	0	0	0	0	109.8	P114	S112-P114 WeakPolarHBondContact O-CD 3.49Å
113	P	40.5	Very low	43.8	Very low	84 Å²	84	89.8 Å²	89.8	55%	0.545	51%	0.51	S	S	.	.			trans	-71.1	126.1	175.2	28.6	-31.1	0	0	0	109.1	L111 T115	L111-P113 VanDerWaalsContact O-CD 3.25Å; L111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-T115 PolarHBondContact O-N 2.79Å
114	P	39.2	Very low	43.3	Very low	131 Å²	131	89.9 Å²	89.9	85%	0.851	52%	0.518	S	S	*	.	S	Bend	trans	-75.2	9.3	165.6	-8.9	27.2	0	0	0	112.4	S112	S112-P114 WeakPolarHBondContact O-CD 3.49Å
115	T	39.6	Very low	42.9	Very low	93 Å²	93	91 Å²	91	57%	0.571	52%	0.522	S	S	*	.	S	Bend	trans	-138.9	147.2	-165.1	38.3	0	0	0	0	113.5	P113 A117	P113-T115 PolarHBondContact O-N 2.79Å; T115-A117 PolarHBondContact O-N 3Å
116	A	41.9	Very low	42.6	Very low	110 Å²	110	93.9 Å²	93.9	91%	0.909	53%	0.529	S	S	*	.	S	Bend	trans	-73	23.9	-165.3	0	0	0	0	0	116.7
117	A	42.4	Very low	42.1	Very low	20 Å²	20	94.6 Å²	94.6	17%	0.165	54%	0.535	C	S	.	.	S	Bend	trans	-123.1	125.3	179.2	0	0	0	0	0	110.9	T115	T115-A117 PolarHBondContact O-N 3Å
118	P	45.3	Very low	41.7	Very low	81 Å²	81	89.9 Å²	89.9	53%	0.526	52%	0.519	S	S	.	.			trans	-75.5	134.8	179.7	28.5	-31.8	0	0	0	111.7	P96	P96-P118 HydrophobicContact CB-CG 4.46Å; P96-P118 WeakPolarHBondContact CB-O 3.02Å
119	V	42.7	Very low	41.3	Very low	84 Å²	84	92.7 Å²	92.7	51%	0.509	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.6	164.8	-179.8	0	0	0	0	107.7	I99	I99-V119 HydrophobicContact CD1-CG1 4.11Å
120	L	46.2	Very low	40.7	Very low	99 Å²	99	88.3 Å²	88.3	52%	0.518	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128	174	-106	93.5	0	0	0	110.2	V97 L98 I99	V97-L120 PolarHBondContact O-N 2.91Å; L98-L120 WeakPolarHBondContact CA-O 3.24Å; L98-L120 HydrophobicContact CD1-CB 3.49Å; L98-L120 VanDerWaalsContact CD1-CB 3.49Å; L98-L120 HydrophobicContact CD1-CD2 4.23Å; L98-L120 HydrophobicContact CD1-CG 4.49Å; I99-L120 PolarHBondContact N-O 3.02Å
121	I	45	Very low	40.3	Very low	62 Å²	62	89.7 Å²	89.7	32%	0.318	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.8	171.9	-55.9	172.6	0	0	0	108	I99 V102 V124	I99-I121 HydrophobicContact CB-CG1 4.39Å; I99-I121 WeakPolarHBondContact O-CA 3.45Å; V102-I121 HydrophobicContact CG2-CD1 4.4Å; V102-I121 HydrophobicContact CG2-CG2 3.99Å; I121-V124 HydrophobicContact CG2-CG2 3.74Å
122	T	43.4	Very low	40	Very low	64 Å²	64	88.5 Å²	88.5	39%	0.393	52%	0.523	S	S	.	.	S	Bend	trans	-93.4	-18.2	-174.1	63.8	0	0	0	0	114.6	L98 I99 T100	L98-T122 HydrophobicContact CD1-CG2 3.77Å; L98-T122 HydrophobicContact CD2-CG2 4.47Å; L98-T122 HydrophobicContact CG-CG2 4.2Å; I99-T122 PolarHBondContact O-N 3.1Å; T100-T122 VanDerWaalsContact CA-OG1 3.26Å; T100-T122 WeakPolarHBondContact CA-OG1 3.33Å; T100-T122 PolarHBondContact O-OG1 3.12Å
123	E	41.8	Very low	39.9	Very low	100 Å²	100	92 Å²	92	47%	0.467	54%	0.535	S	S	.	.			trans	-151.6	119.3	177	-142.4	-178.2	-170.2	0	0	110.7	T100 K125	T100-E123 VanDerWaalsContact O-CB 3.25Å; T100-E123 WeakPolarHBondContact O-CB 3.48Å; T100-E123 PolarHBondContact O-N 3.43Å; E123-K125 VanDerWaalsContact CD-CE 3.48Å; E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 3.91Å; E123-K125 PolarHBondContact OE2-NZ 3.26Å
124	V	43.5	Very low	40.1	Very low	85 Å²	85	92.9 Å²	92.9	52%	0.515	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-108.3	105.4	173.8	179.4	0	0	0	0	107.4	I121 E126	I121-V124 HydrophobicContact CG2-CG2 3.74Å; V124-E126 VanDerWaalsContact CG1-O 3.22Å; V124-E126 WeakPolarHBondContact CG1-O 3.24Å
125	K	43.7	Very low	40.6	Very low	116 Å²	116	91.9 Å²	91.9	50%	0.504	53%	0.525	S	S	.	.			trans	-90.1	-6.9	-176	-77.9	-172.5	-170.4	152.7	0	114.9	E101 E123	E101-K125 HydrophobicContact CG-CD 4.49Å; E101-K125 WeakPolarHBondContact OE1-CD 3.05Å; E101-K125 WeakPolarHBondContact OE1-CE 3.27Å; E101-K125 IonicContact OE1-NZ 3.61Å; E101-K125 PolarHBondContact OE1-NZ 3.18Å; E101-K125 IonicContact OE2-NZ 2.64Å; E123-K125 VanDerWaalsContact CD-CE 3.48Å; E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 3.91Å; E123-K125 PolarHBondContact OE2-NZ 3.26Å
126	E	37.2	Very low	41.4	Very low	123 Å²	123	88.9 Å²	88.9	58%	0.575	51%	0.506	S	S	*	.	S	Bend	trans	-135.9	153	176	-81.1	-155.8	178.7	0	0	113.1	V124 V128	V124-E126 VanDerWaalsContact CG1-O 3.22Å; V124-E126 WeakPolarHBondContact CG1-O 3.24Å; E126-V128 PolarHBondContact O-N 3.33Å
127	P	35.4	Very low	42.1	Very low	63 Å²	63	87.4 Å²	87.4	41%	0.409	48%	0.48	S	S	.	.			trans	-50	124.8	-175.2	-27.7	29.8	0	0	0	116.7	K129 V132	P127-K129 PolarHBondContact O-N 3.05Å; P127-V132 HydrophobicContact CB-CB 3.5Å; P127-V132 VanDerWaalsContact CB-CB 3.5Å; P127-V132 HydrophobicContact CB-CG1 3.84Å; P127-V132 HydrophobicContact CB-CG2 3.41Å; P127-V132 VanDerWaalsContact CB-CG2 3.41Å; P127-V132 HydrophobicContact CG-CB 3.92Å; P127-V132 HydrophobicContact CG-CG1 3.65Å; P127-V132 HydrophobicContact CG-CG2 4.16Å
128	V	36	Very low	43	Very low	51 Å²	51	91 Å²	91	31%	0.309	49%	0.492	S	S	.	.			trans	-61.6	108.7	148	-177.8	0	0	0	0	105.8	E126 G130 F131	E126-V128 PolarHBondContact O-N 3.33Å; V128-G130 PolarHBondContact O-N 2.97Å; V128-F131 PolarHBondContact O-N 2.94Å
129	K	33.6	Very low	44	Very low	187 Å²	187	87.3 Å²	87.3	81%	0.813	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	97.8	-179.7	-106.7	-179.5	176.6	172.4	0	108.9	P127	P127-K129 PolarHBondContact O-N 3.05Å
130	G	36.4	Very low	45.6	Very low	67 Å²	67	83.9 Å²	83.9	69%	0.691	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	143.1	-28.9	-177.2	0	0	0	0	0	114.5	V128	V128-G130 PolarHBondContact O-N 2.97Å
131	F	35.6	Very low	46.6	Very low	81 Å²	81	82.2 Å²	82.2	36%	0.355	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-0.8	-172.5	-92.9	-87.7	0	0	0	115.4	V128 D133 Q137 V141	V128-F131 PolarHBondContact O-N 2.94Å; F131-D133 PolarHBondContact O-N 3.4Å; F131-Q137 HydrophobicContact CD1-CB 4Å; F131-Q137 HydrophobicContact CE1-CB 3.86Å; F131-V141 HydrophobicContact CE1-CG2 3.96Å; F131-V141 HydrophobicContact CZ-CG2 3.73Å
132	V	32.6	Very low	47.8	Very low	77 Å²	77	81.6 Å²	81.6	47%	0.467	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	88.3	-170.6	-178.6	0	0	0	0	111.1	P127	P127-V132 HydrophobicContact CB-CB 3.5Å; P127-V132 VanDerWaalsContact CB-CB 3.5Å; P127-V132 HydrophobicContact CB-CG1 3.84Å; P127-V132 HydrophobicContact CB-CG2 3.41Å; P127-V132 VanDerWaalsContact CB-CG2 3.41Å; P127-V132 HydrophobicContact CG-CB 3.92Å; P127-V132 HydrophobicContact CG-CG1 3.65Å; P127-V132 HydrophobicContact CG-CG2 4.16Å
133	D	36.6	Very low	49.1	Very low	153 Å²	153	79 Å²	79	82%	0.818	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179	9.7	142.7	-92.9	-23	0	0	0	111.1	F131	F131-D133 PolarHBondContact O-N 3.4Å
134	Q	43.7	Very low	50.1	Low	103 Å²	103	76 Å²	76	48%	0.481	41%	0.41	S	S	.	.			trans	-142.5	90.2	-174.4	-62	-168.8	-0.5	0	0	112.3	D136 Q137	Q134-D136 PolarHBondContact O-N 2.81Å; Q134-Q137 HydrophobicContact CB-CB 4.24Å; Q134-Q137 HydrophobicContact CB-CG 3.81Å; Q134-Q137 PolarHBondContact O-N 3.38Å
135	P	50.3	Low	50.8	Low	111 Å²	111	74.4 Å²	74.4	72%	0.721	41%	0.405	S	S	*	.	H	α-helix	trans	-55	-24.8	173.7	18.7	-30.2	0	0	0	113.2	Q137 F138	P135-Q137 VanDerWaalsContact C-N 3.32Å; P135-Q137 PolarHBondContact O-N 3.38Å; P135-F138 PolarHBondContact O-N 2.84Å
136	D	56.9	Low	51.4	Low	29 Å²	29	71.3 Å²	71.3	16%	0.155	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-32.2	173.5	-69.4	-20.2	0	0	0	112.6	Q134 A139 C140 K689 H737	Q134-D136 PolarHBondContact O-N 2.81Å; D136-A139 WeakPolarHBondContact O-CB 3.48Å; D136-C140 PolarHBondContact O-SG 2.91Å; D136-K689 IonicContact OD1-NZ 2.69Å; D136-K689 PolarHBondContact OD1-NZ 3.07Å; D136-K689 IonicContact OD2-NZ 3.22Å; D136-K689 PolarHBondContact OD2-NZ 2.7Å; D136-H737 WeakPolarHBondContact CB-O 3.48Å
137	Q	56.1	Low	52.5	Low	80 Å²	80	65.9 Å²	65.9	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-73.4	-31.2	178.7	-71.4	-169.8	-0.2	0	0	113.3	F131 Q134 P135 A139 C140	F131-Q137 HydrophobicContact CD1-CB 4Å; F131-Q137 HydrophobicContact CE1-CB 3.86Å; Q134-Q137 HydrophobicContact CB-CB 4.24Å; Q134-Q137 HydrophobicContact CB-CG 3.81Å; Q134-Q137 PolarHBondContact O-N 3.38Å; P135-Q137 VanDerWaalsContact C-N 3.32Å; P135-Q137 PolarHBondContact O-N 3.38Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-C140 WeakPolarHBondContact O-CB 3.17Å; Q137-C140 PolarHBondContact O-N 3.4Å; Q137-C140 VanDerWaalsContact O-N 3.14Å
138	F	62.2	Low	53.8	Low	94 Å²	94	65 Å²	65	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-36.8	177.3	-170.2	-91.6	0	0	0	111.7	P135 C140 V141 D142 A145	P135-F138 PolarHBondContact O-N 2.84Å; F138-C140 PolarHBondContact O-N 2.96Å; F138-C140 VanDerWaalsContact O-N 3.08Å; F138-V141 PolarHBondContact O-N 3.35Å; F138-D142 PolarHBondContact O-N 3.45Å; F138-A145 HydrophobicContact CE1-CB 4.21Å; F138-A145 HydrophobicContact CZ-CB 4.26Å
139	A	66.3	Low	54.6	Low	4 Å²	4	68.7 Å²	68.7	3%	0.033	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-22	173.4	0	0	0	0	0	113.1	D136 Q137 Y143 H737 M745	D136-A139 WeakPolarHBondContact O-CB 3.48Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; A139-Y143 HydrophobicContact CB-CD2 3.66Å; A139-Y143 HydrophobicContact CB-CE2 4.07Å; A139-H737 HydrophobicContact CB-CB 4.01Å; A139-M745 WeakPolarHBondContact O-CG 3.32Å
140	C	75	Confident	55.2	Low	12 Å²	12	66.1 Å²	66.1	8%	0.081	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.7	179.8	-54.9	0	0	0	0	114.3	D136 Q137 F138 H737 C739 M745	D136-C140 PolarHBondContact O-SG 2.91Å; Q137-C140 WeakPolarHBondContact O-CB 3.17Å; Q137-C140 PolarHBondContact O-N 3.4Å; Q137-C140 VanDerWaalsContact O-N 3.14Å; F138-C140 PolarHBondContact O-N 2.96Å; F138-C140 VanDerWaalsContact O-N 3.08Å; C140-H737 PolarHBondContact SG-O 2.73Å; C140-C739 WeakPolarHBondContact CA-SG 3.22Å; C140-C739 HydrophobicContact CB-CB 3.74Å; C140-C739 WeakPolarHBondContact CB-SG 3.35Å; C140-C739 WeakPolarHBondContact SG-CA 3.32Å; C140-C739 WeakPolarHBondContact SG-CB 3.32Å; C140-C739 CovalentContact SG-SG 2.04Å; C140-C739 PolarHBondContact SG-SG 2.88Å; C140-M745 WeakPolarHBondContact O-CG 3.27Å; C140-M745 PolarHBondContact O-N 2.89Å
141	V	67.6	Low	55.7	Low	65 Å²	65	68.5 Å²	68.5	39%	0.394	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-53	177.7	-178	0	0	0	0	110.9	F131 F138 K744	F131-V141 HydrophobicContact CE1-CG2 3.96Å; F131-V141 HydrophobicContact CZ-CG2 3.73Å; F138-V141 PolarHBondContact O-N 3.35Å; V141-K744 WeakPolarHBondContact O-CD 3.44Å
142	D	69.5	Low	56.1	Low	49 Å²	49	67.4 Å²	67.4	26%	0.262	37%	0.365	S	S	.	.			trans	-154.8	99.8	178.7	-164.9	-22.2	0	0	0	111.4	F138 L144 A145 N724	F138-D142 PolarHBondContact O-N 3.45Å; D142-L144 VanDerWaalsContact C-N 3.34Å; D142-L144 WeakPolarHBondContact OD1-CB 3.5Å; D142-L144 PolarHBondContact OD1-N 3.1Å; D142-L144 VanDerWaalsContact OD1-N 3.09Å; D142-A145 HydrophobicContact CB-CB 4.04Å; D142-A145 PolarHBondContact OD1-N 2.65Å; D142-N724 PolarHBondContact OD1-ND2 3.27Å
143	Y	71.1	Confident	56.4	Low	10 Å²	10	70.4 Å²	70.4	4%	0.039	38%	0.377	C	S	.	.	H	α-helix	trans	-74.4	-26.1	-179	-165	-105.6	0	0	0	113.1	A139 S146 S147 F692 S693 A696 V723 N724 L727 F733 H737	A139-Y143 HydrophobicContact CB-CD2 3.66Å; A139-Y143 HydrophobicContact CB-CE2 4.07Å; Y143-S146 PolarHBondContact O-OG 3.37Å; Y143-S147 WeakPolarHBondContact CE1-OG 3.3Å; Y143-S147 VanDerWaalsContact O-CB 3.27Å; Y143-S147 WeakPolarHBondContact O-CB 3.16Å; Y143-S147 PolarHBondContact O-N 3.4Å; Y143-S147 VanDerWaalsContact O-N 3.15Å; Y143-S147 PolarHBondContact O-OG 3.31Å; Y143-F692 HydrophobicContact CE1-CB 4.41Å; Y143-F692 WeakPolarHBondContact CE1-O 3.5Å; Y143-F692 VanDerWaalsContact OH-C 3.31Å; Y143-S693 WeakPolarHBondContact OH-CA 3.21Å; Y143-S693 PolarHBondContact OH-N 3.19Å; Y143-A696 HydrophobicContact CD1-CB 3.66Å; Y143-A696 HydrophobicContact CE1-CB 3.47Å; Y143-A696 VanDerWaalsContact CE1-CB 3.47Å; Y143-V723 HydrophobicContact CD1-CG1 4.43Å; Y143-N724 WeakPolarHBondContact CB-OD1 3.29Å; Y143-N724 PolarHBondContact N-OD1 2.73Å; Y143-L727 HydrophobicContact CD1-CD1 3.37Å; Y143-L727 HydrophobicContact CE1-CD1 4.01Å; Y143-L727 HydrophobicContact CG-CD1 3.86Å; Y143-F733 HydrophobicContact CD1-CE2 4.28Å; Y143-F733 AromaticContact CD2-CE2 3.73Å; Y143-F733 HydrophobicContact CD2-CE2 3.73Å; Y143-F733 AromaticContact CD2-CZ 3.67Å; Y143-F733 HydrophobicContact CD2-CZ 3.67Å; Y143-F733 HydrophobicContact CE1-CE2 4.35Å; Y143-F733 AromaticContact CE2-CE2 3.82Å; Y143-F733 HydrophobicContact CE2-CE2 3.82Å; Y143-F733 HydrophobicContact CE2-CZ 4.19Å; Y143-F733 AromaticContact CG-CE2 3.96Å; Y143-F733 HydrophobicContact CG-CE2 3.96Å; Y143-F733 AromaticContact CG-CZ 3.89Å; Y143-F733 HydrophobicContact CG-CZ 3.89Å; Y143-H737 AromaticContact CE2-CE1 3.69Å; Y143-H737 AromaticContact CE2-NE2 3.74Å
144	L	63.8	Low	56.7	Low	37 Å²	37	66.6 Å²	66.6	19%	0.194	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-46.1	176.9	-84.6	160.7	0	0	0	111.3	D142 S146 S147 C148 V723 N724	D142-L144 VanDerWaalsContact C-N 3.34Å; D142-L144 WeakPolarHBondContact OD1-CB 3.5Å; D142-L144 PolarHBondContact OD1-N 3.1Å; D142-L144 VanDerWaalsContact OD1-N 3.09Å; L144-S146 PolarHBondContact O-N 2.91Å; L144-S147 PolarHBondContact O-N 2.77Å; L144-S147 VanDerWaalsContact O-N 3.08Å; L144-C148 VanDerWaalsContact CD2-SG 3.58Å; L144-C148 PolarHBondContact O-N 2.96Å; L144-C148 PolarHBondContact O-SG 2.87Å; L144-V723 HydrophobicContact CD1-CB 3.93Å; L144-V723 HydrophobicContact CD2-CB 3.6Å; L144-V723 HydrophobicContact CD2-CG1 4.39Å; L144-V723 HydrophobicContact CD2-CG2 3.54Å; L144-V723 HydrophobicContact CG-CB 3.66Å; L144-V723 HydrophobicContact CG-CG1 4.32Å; L144-V723 HydrophobicContact CG-CG2 4.2Å; L144-N724 HydrophobicContact CD1-CB 4.5Å; L144-N724 PolarHBondContact N-OD1 2.82Å
145	A	57.8	Low	56.4	Low	50 Å²	50	63.4 Å²	63.4	41%	0.413	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-35.2	-179.2	0	0	0	0	0	112.1	F138 D142	F138-A145 HydrophobicContact CE1-CB 4.21Å; F138-A145 HydrophobicContact CZ-CB 4.26Å; D142-A145 HydrophobicContact CB-CB 4.04Å; D142-A145 PolarHBondContact OD1-N 2.65Å
146	S	55.5	Low	55.8	Low	51 Å²	51	59.2 Å²	59.2	36%	0.357	33%	0.326	S	S	.	.	H	α-helix	trans	-81.1	-28.4	176.2	56.8	0	0	0	0	114.1	Y143 L144	Y143-S146 PolarHBondContact O-OG 3.37Å; L144-S146 PolarHBondContact O-N 2.91Å
147	S	60.5	Low	54.8	Low	9 Å²	9	58.4 Å²	58.4	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-95.1	-25.3	-170.5	-58.8	0	0	0	0	114.4	Y143 L144	Y143-S147 WeakPolarHBondContact CE1-OG 3.3Å; Y143-S147 VanDerWaalsContact O-CB 3.27Å; Y143-S147 WeakPolarHBondContact O-CB 3.16Å; Y143-S147 PolarHBondContact O-N 3.4Å; Y143-S147 VanDerWaalsContact O-N 3.15Å; Y143-S147 PolarHBondContact O-OG 3.31Å; L144-S147 PolarHBondContact O-N 2.77Å; L144-S147 VanDerWaalsContact O-N 3.08Å
148	C	62.7	Low	53.7	Low	44 Å²	44	58.9 Å²	58.9	30%	0.297	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.4	-176.9	-60.8	0	0	0	0	115	L144 E150 C700	L144-C148 VanDerWaalsContact CD2-SG 3.58Å; L144-C148 PolarHBondContact O-N 2.96Å; L144-C148 PolarHBondContact O-SG 2.87Å; C148-E150 VanDerWaalsContact C-N 3.26Å; C148-E150 PolarHBondContact O-N 3.35Å; C148-C700 WeakPolarHBondContact CA-SG 3.37Å; C148-C700 HydrophobicContact CB-CB 3.8Å; C148-C700 WeakPolarHBondContact CB-SG 3.15Å; C148-C700 WeakPolarHBondContact SG-CB 3.46Å; C148-C700 CovalentContact SG-SG 2.03Å; C148-C700 PolarHBondContact SG-SG 3.07Å
149	L	51.9	Low	52.8	Low	129 Å²	129	57.4 Å²	57.4	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.2	-176.1	-105.1	135.6	0	0	0	114
150	E	47.8	Very low	51.4	Low	133 Å²	133	62.5 Å²	62.5	62%	0.621	36%	0.363	S	S	*	.	S	Bend	trans	-100.1	97.1	170.4	-71.9	179.1	152	0	0	109.4	C148 F152 K697	C148-E150 VanDerWaalsContact C-N 3.26Å; C148-E150 PolarHBondContact O-N 3.35Å; E150-F152 PolarHBondContact O-N 3.49Å; E150-K697 IonicContact OE2-NZ 2.65Å; E150-K697 PolarHBondContact OE2-NZ 2.96Å
151	Q	45.8	Very low	50.1	Low	118 Å²	118	64.1 Å²	64.1	55%	0.551	37%	0.372	S	S	*	.			trans	-62.3	120.9	167.1	-72.2	-174.5	6.5	0	0	108.5	I153	Q151-I153 HydrophobicContact CB-CD1 4.34Å; Q151-I153 HydrophobicContact CB-CG1 3.87Å; Q151-I153 PolarHBondContact O-N 3.39Å
152	F	45.4	Very low	49.4	Very low	58 Å²	58	61.2 Å²	61.2	25%	0.254	36%	0.356	S	S	.	.			trans	-65	86.7	164.2	-79.4	-109.2	0	0	0	108.1	E150 D154 P590 K697 T701	E150-F152 PolarHBondContact O-N 3.49Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 2.64Å; F152-P590 HydrophobicContact CB-CB 4.29Å; F152-P590 HydrophobicContact CD1-CB 3.4Å; F152-P590 HydrophobicContact CE1-CB 3.9Å; F152-P590 HydrophobicContact CG-CB 4.1Å; F152-K697 HydrophobicContact CE2-CB 4.04Å; F152-K697 HydrophobicContact CE2-CD 4.4Å; F152-T701 HydrophobicContact CB-CG2 4.44Å
153	I	37.6	Very low	49	Very low	140 Å²	140	59 Å²	59	72%	0.718	34%	0.344	S	S	*	.			trans	-91.2	76.3	169.8	-50.8	176.7	0	0	0	106.6	Q151	Q151-I153 HydrophobicContact CB-CD1 4.34Å; Q151-I153 HydrophobicContact CB-CG1 3.87Å; Q151-I153 PolarHBondContact O-N 3.39Å
154	D	43.8	Very low	49	Very low	72 Å²	72	61.2 Å²	61.2	39%	0.385	36%	0.356	S	S	.	.			trans	-97.9	116	154.5	-157.3	-6	0	0	0	105.8	F152 A156 A157	F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 2.64Å; D154-A156 PolarHBondContact O-N 3.33Å; D154-A156 VanDerWaalsContact O-N 3.08Å; D154-A157 WeakPolarHBondContact O-CA 3.32Å; D154-A157 WeakPolarHBondContact O-CB 3.32Å; D154-A157 PolarHBondContact O-N 2.96Å
155	G	36.5	Very low	49.8	Very low	37 Å²	37	61.6 Å²	61.6	38%	0.381	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-56.9	-30.6	-166.7	0	0	0	0	0	113.7	A157 S158	G155-A157 PolarHBondContact O-N 2.87Å; G155-S158 PolarHBondContact O-N 3.45Å; G155-S158 PolarHBondContact O-OG 3.04Å
156	A	37.2	Very low	51.1	Low	22 Å²	22	63.9 Å²	63.9	18%	0.182	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.2	174.6	0	0	0	0	0	113	D154 S158 Y703	D154-A156 PolarHBondContact O-N 3.33Å; D154-A156 VanDerWaalsContact O-N 3.08Å; A156-S158 VanDerWaalsContact C-N 3.32Å; A156-S158 PolarHBondContact O-N 3.45Å; A156-Y703 PolarHBondContact O-OH 3.46Å
157	A	36.7	Very low	52.5	Low	13 Å²	13	64.1 Å²	64.1	11%	0.107	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-79.8	-7	-177.4	0	0	0	0	0	114.7	D154 G155 P590 Y703	D154-A157 WeakPolarHBondContact O-CA 3.32Å; D154-A157 WeakPolarHBondContact O-CB 3.32Å; D154-A157 PolarHBondContact O-N 2.96Å; G155-A157 PolarHBondContact O-N 2.87Å; A157-P590 HydrophobicContact CB-CG 4.43Å; A157-Y703 WeakPolarHBondContact CA-OH 3.18Å; A157-Y703 HydrophobicContact CB-CD2 4.28Å; A157-Y703 HydrophobicContact CB-CE2 3.52Å; A157-Y703 VanDerWaalsContact O-CD2 3.31Å; A157-Y703 WeakPolarHBondContact O-CD2 3.49Å; A157-Y703 WeakPolarHBondContact O-CE1 3.46Å; A157-Y703 WeakPolarHBondContact O-CE2 3.21Å
158	S	34.1	Very low	53.7	Low	90 Å²	90	63.7 Å²	63.7	63%	0.629	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-108.6	-8.2	-169.1	67.5	0	0	0	0	114.7	G155 A156	G155-S158 PolarHBondContact O-N 3.45Å; G155-S158 PolarHBondContact O-OG 3.04Å; A156-S158 VanDerWaalsContact C-N 3.32Å; A156-S158 PolarHBondContact O-N 3.45Å
159	H	41.9	Very low	55	Low	62 Å²	62	64 Å²	64	29%	0.287	35%	0.354	S	S	.	.	S	Bend	trans	-87.5	133.6	-176.2	-131.5	-89.8	0	0	0	111	T161 G162 D165	H159-T161 PolarHBondContact O-N 3.28Å; H159-G162 PolarHBondContact O-N 3.27Å; H159-D165 IonicContact CE1-OD1 3.79Å
160	P	36.9	Very low	56.7	Low	111 Å²	111	63.1 Å²	63.1	72%	0.721	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.7	-177.5	18.3	-29.8	0	0	0	114.8
161	T	47.3	Very low	58.8	Low	46 Å²	46	57.5 Å²	57.5	28%	0.282	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.9	174.3	61.1	0	0	0	0	113.6	H159 V163 K445	H159-T161 PolarHBondContact O-N 3.28Å; T161-V163 PolarHBondContact O-N 2.83Å; T161-V163 PolarHBondContact OG1-O 3.43Å; T161-K445 PolarHBondContact OG1-NZ 3.37Å; T161-K445 VanDerWaalsContact OG1-NZ 3.14Å
162	G	53.9	Low	61	Low	5 Å²	5	51.9 Å²	51.9	5%	0.052	30%	0.298	C	S	.	.	S	Bend	trans	67.9	4.7	-173	0	0	0	0	0	115.2	H159 F567	H159-G162 PolarHBondContact O-N 3.27Å; G162-F567 WeakPolarHBondContact O-CE2 3.11Å
163	V	61.1	Low	63	Low	1 Å²	1	54 Å²	54	1%	0.006	31%	0.312	C	S	.	.	S	Bend	trans	-128.2	121.9	-179.7	-165.3	0	0	0	0	110.3	T161 F167 I168 K445 F567	T161-V163 PolarHBondContact O-N 2.83Å; T161-V163 PolarHBondContact OG1-O 3.43Å; V163-F167 HydrophobicContact CG1-CD1 3.57Å; V163-F167 HydrophobicContact CG1-CE1 4.28Å; V163-F167 HydrophobicContact CG1-CG 4.48Å; V163-I168 HydrophobicContact CG1-CD1 3.62Å; V163-I168 HydrophobicContact CG1-CG1 3.69Å; V163-K445 PolarHBondContact O-NZ 2.87Å; V163-F567 HydrophobicContact CB-CZ 4.42Å; V163-F567 HydrophobicContact CG2-CD2 4.35Å; V163-F567 HydrophobicContact CG2-CE1 3.85Å; V163-F567 HydrophobicContact CG2-CE2 3.25Å; V163-F567 HydrophobicContact CG2-CZ 2.95Å
164	D	70.8	Confident	65.1	Low	57 Å²	57	50.3 Å²	50.3	31%	0.305	29%	0.294	S	S	.	.			trans	-61.6	131.6	170.6	-173.1	-2.6	0	0	0	110.7	D166 F167 I168	D164-D166 PolarHBondContact O-N 2.96Å; D164-D166 PolarHBondContact OD1-N 3.46Å; D164-F167 HydrophobicContact CB-CB 4.25Å; D164-F167 WeakPolarHBondContact O-CB 3.19Å; D164-F167 PolarHBondContact O-N 3.41Å; D164-F167 VanDerWaalsContact O-N 3.14Å; D164-I168 PolarHBondContact O-N 3.29Å
165	D	81.3	Confident	66.7	Low	45 Å²	45	50.3 Å²	50.3	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-35.6	176.3	-74.3	-6.2	0	0	0	110.7	H159 F167 I168 I169 I441 K445	H159-D165 IonicContact CE1-OD1 3.79Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.03Å; D165-I168 PolarHBondContact O-N 3.49Å; D165-I168 VanDerWaalsContact O-N 3.16Å; D165-I169 VanDerWaalsContact O-CG1 3.25Å; D165-I169 WeakPolarHBondContact O-CG1 3.4Å; D165-I169 PolarHBondContact O-N 3.48Å; D165-I441 HydrophobicContact CB-CG2 4.24Å; D165-I441 WeakPolarHBondContact OD1-CG2 3.35Å; D165-K445 WeakPolarHBondContact OD1-CE 3.36Å; D165-K445 IonicContact OD1-NZ 3.64Å; D165-K445 PolarHBondContact OD1-NZ 3.2Å
166	D	84	Confident	68.6	Low	98 Å²	98	54.6 Å²	54.6	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-34.6	178	-76.1	-14.3	0	0	0	112	D164 N170	D164-D166 PolarHBondContact O-N 2.96Å; D164-D166 PolarHBondContact OD1-N 3.46Å; D166-N170 VanDerWaalsContact O-CB 3.29Å; D166-N170 WeakPolarHBondContact O-CB 3.44Å; D166-N170 VanDerWaalsContact O-CG 3.24Å; D166-N170 PolarHBondContact O-N 3.45Å; D166-N170 PolarHBondContact O-ND2 3.43Å
167	F	84.7	Confident	70.4	Confident	56 Å²	56	56.7 Å²	56.7	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-46.8	173.4	168.1	-98.5	0	0	0	110.8	V163 D164 D165 N170 L171 I452 H456	V163-F167 HydrophobicContact CG1-CD1 3.57Å; V163-F167 HydrophobicContact CG1-CE1 4.28Å; V163-F167 HydrophobicContact CG1-CG 4.48Å; D164-F167 HydrophobicContact CB-CB 4.25Å; D164-F167 WeakPolarHBondContact O-CB 3.19Å; D164-F167 PolarHBondContact O-N 3.41Å; D164-F167 VanDerWaalsContact O-N 3.14Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.03Å; F167-N170 PolarHBondContact O-N 2.97Å; F167-L171 HydrophobicContact CE1-CD2 3.99Å; F167-L171 HydrophobicContact CZ-CD2 3.99Å; F167-L171 WeakPolarHBondContact O-CB 3.47Å; F167-L171 PolarHBondContact O-N 3Å; F167-I452 HydrophobicContact CE1-CG2 4.07Å; F167-H456 AromaticContact CD1-CD2 3.85Å; F167-H456 HydrophobicContact CE1-CB 4.26Å; F167-H456 AromaticContact CE1-CD2 3.56Å; F167-H456 HydrophobicContact CZ-CB 4.1Å; F167-H456 AromaticContact CZ-CD2 3.84Å
168	I	86.7	Confident	72.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-45.1	178.8	-59.9	-61.6	0	0	0	111	V163 D164 D165 N170 L171 M172 I441 V444 K445 I452	V163-I168 HydrophobicContact CG1-CD1 3.62Å; V163-I168 HydrophobicContact CG1-CG1 3.69Å; D164-I168 PolarHBondContact O-N 3.29Å; D165-I168 PolarHBondContact O-N 3.49Å; D165-I168 VanDerWaalsContact O-N 3.16Å; I168-N170 VanDerWaalsContact C-N 3.35Å; I168-N170 PolarHBondContact O-N 2.98Å; I168-L171 PolarHBondContact O-N 3.5Å; I168-M172 HydrophobicContact CG2-CG 3.99Å; I168-M172 VanDerWaalsContact O-CG 3.31Å; I168-M172 WeakPolarHBondContact O-CG 3.18Å; I168-M172 PolarHBondContact O-N 3.28Å; I168-I441 HydrophobicContact CB-CD1 4.24Å; I168-I441 HydrophobicContact CB-CG2 4.09Å; I168-I441 HydrophobicContact CG1-CG2 4.35Å; I168-I441 HydrophobicContact CG2-CD1 3.76Å; I168-I441 HydrophobicContact CG2-CG2 4.09Å; I168-V444 HydrophobicContact CG2-CG1 4.25Å; I168-K445 HydrophobicContact CG1-CG 4.27Å; I168-I452 HydrophobicContact CD1-CB 4.24Å; I168-I452 HydrophobicContact CD1-CD1 3.65Å; I168-I452 HydrophobicContact CD1-CG1 3.78Å; I168-I452 HydrophobicContact CD1-CG2 3.4Å
169	I	88.9	Confident	74.7	Confident	50 Å²	50	63.3 Å²	63.3	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-49.1	178.8	-68.7	163.9	0	0	0	110.1	D165 L171 M172 N173 I441	D165-I169 VanDerWaalsContact O-CG1 3.25Å; D165-I169 WeakPolarHBondContact O-CG1 3.4Å; D165-I169 PolarHBondContact O-N 3.48Å; I169-L171 VanDerWaalsContact C-N 3.3Å; I169-L171 PolarHBondContact O-N 3.27Å; I169-M172 PolarHBondContact O-N 3.38Å; I169-N173 WeakPolarHBondContact CG2-ND2 3.28Å; I169-N173 WeakPolarHBondContact O-CB 3.48Å; I169-N173 VanDerWaalsContact O-CG 3.31Å; I169-N173 PolarHBondContact O-N 2.88Å; I169-N173 PolarHBondContact O-ND2 2.89Å; I169-N173 VanDerWaalsContact O-ND2 3.15Å; I169-I441 HydrophobicContact CD1-CD1 4.4Å; I169-I441 HydrophobicContact CD1-CG1 4.5Å; I169-I441 HydrophobicContact CG1-CD1 3.47Å; I169-I441 VanDerWaalsContact CG1-CD1 3.47Å; I169-I441 HydrophobicContact CG1-CG1 4.07Å
170	N	89.5	Confident	76.9	Confident	111 Å²	111	61.4 Å²	61.4	59%	0.594	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-37.4	178.3	-74.2	-43.4	0	0	0	112	D166 F167 I168 N174	D166-N170 VanDerWaalsContact O-CB 3.29Å; D166-N170 WeakPolarHBondContact O-CB 3.44Å; D166-N170 VanDerWaalsContact O-CG 3.24Å; D166-N170 PolarHBondContact O-N 3.45Å; D166-N170 PolarHBondContact O-ND2 3.43Å; F167-N170 PolarHBondContact O-N 2.97Å; I168-N170 VanDerWaalsContact C-N 3.35Å; I168-N170 PolarHBondContact O-N 2.98Å; N170-N174 VanDerWaalsContact O-CB 3.22Å; N170-N174 WeakPolarHBondContact O-CB 3.37Å; N170-N174 PolarHBondContact O-N 3.19Å
171	L	89.9	Confident	79.4	Confident	15 Å²	15	60.2 Å²	60.2	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-49.2	177	-178	63.4	0	0	0	111.3	F167 I168 I169 N173 N174 F183 Y455	F167-L171 HydrophobicContact CE1-CD2 3.99Å; F167-L171 HydrophobicContact CZ-CD2 3.99Å; F167-L171 WeakPolarHBondContact O-CB 3.47Å; F167-L171 PolarHBondContact O-N 3Å; I168-L171 PolarHBondContact O-N 3.5Å; I169-L171 VanDerWaalsContact C-N 3.3Å; I169-L171 PolarHBondContact O-N 3.27Å; L171-N173 VanDerWaalsContact C-N 3.33Å; L171-N173 PolarHBondContact O-N 3.27Å; L171-N174 WeakPolarHBondContact O-CB 3.44Å; L171-N174 PolarHBondContact O-N 2.98Å; L171-N174 VanDerWaalsContact O-N 3.1Å; L171-F183 HydrophobicContact CD1-CE2 3.69Å; L171-F183 HydrophobicContact CD1-CZ 4.1Å; L171-F183 HydrophobicContact CD2-CE2 4.4Å; L171-F183 HydrophobicContact CG-CE2 3.8Å; L171-F183 HydrophobicContact CG-CZ 4.37Å; L171-F183 WeakPolarHBondContact O-CZ 3.26Å; L171-Y455 HydrophobicContact CD1-CD1 4.26Å; L171-Y455 HydrophobicContact CD1-CD2 4.43Å; L171-Y455 HydrophobicContact CD1-CG 3.86Å; L171-Y455 HydrophobicContact CD2-CG 4.5Å
172	M	92.2	Very high	81.4	Confident	1 Å²	1	61 Å²	61	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-30.2	-179	-64.2	-60.3	111.8	0	0	113	I168 I169 N174 F183 A186 V187 Y190 V444	I168-M172 HydrophobicContact CG2-CG 3.99Å; I168-M172 VanDerWaalsContact O-CG 3.31Å; I168-M172 WeakPolarHBondContact O-CG 3.18Å; I168-M172 PolarHBondContact O-N 3.28Å; I169-M172 PolarHBondContact O-N 3.38Å; M172-N174 VanDerWaalsContact C-N 3.26Å; M172-N174 PolarHBondContact O-N 2.83Å; M172-F183 HydrophobicContact CE-CE2 4.25Å; M172-A186 HydrophobicContact CE-CB 4.14Å; M172-A186 HydrophobicContact SD-CB 3.94Å; M172-V187 HydrophobicContact SD-CG2 4.39Å; M172-Y190 HydrophobicContact CB-CD1 3.34Å; M172-Y190 HydrophobicContact CB-CD2 4.4Å; M172-Y190 HydrophobicContact CB-CE1 3.8Å; M172-Y190 HydrophobicContact CB-CG 3.65Å; M172-Y190 HydrophobicContact CG-CD1 4.02Å; M172-Y190 HydrophobicContact CG-CD2 4.24Å; M172-Y190 HydrophobicContact CG-CG 3.77Å; M172-V444 HydrophobicContact CE-CG1 4.21Å; M172-V444 HydrophobicContact CG-CG1 4.26Å; M172-V444 HydrophobicContact SD-CG1 3.79Å
173	N	88.9	Confident	83.1	Confident	102 Å²	102	60.8 Å²	60.8	55%	0.545	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.8	173.8	-73.1	-32.6	0	0	0	113.3	I169 L171 T175	I169-N173 WeakPolarHBondContact CG2-ND2 3.28Å; I169-N173 WeakPolarHBondContact O-CB 3.48Å; I169-N173 VanDerWaalsContact O-CG 3.31Å; I169-N173 PolarHBondContact O-N 2.88Å; I169-N173 PolarHBondContact O-ND2 2.89Å; I169-N173 VanDerWaalsContact O-ND2 3.15Å; L171-N173 VanDerWaalsContact C-N 3.33Å; L171-N173 PolarHBondContact O-N 3.27Å; N173-T175 PolarHBondContact O-N 3.04Å
174	N	81.8	Confident	84.6	Confident	63 Å²	63	62.8 Å²	62.8	34%	0.337	34%	0.341	S	S	.	.			trans	-95.5	94.4	-178	-177.3	-2.9	0	0	0	111.1	N170 L171 M172 N176 F183	N170-N174 VanDerWaalsContact O-CB 3.22Å; N170-N174 WeakPolarHBondContact O-CB 3.37Å; N170-N174 PolarHBondContact O-N 3.19Å; L171-N174 WeakPolarHBondContact O-CB 3.44Å; L171-N174 PolarHBondContact O-N 2.98Å; L171-N174 VanDerWaalsContact O-N 3.1Å; M172-N174 VanDerWaalsContact C-N 3.26Å; M172-N174 PolarHBondContact O-N 2.83Å; N174-N176 PolarHBondContact O-N 3.16Å; N174-N176 WeakPolarHBondContact OD1-CB 3.42Å; N174-N176 PolarHBondContact OD1-N 3.02Å; N174-N176 VanDerWaalsContact OD1-N 3.16Å; N174-N176 PolarHBondContact OD1-ND2 3.38Å; N174-F183 WeakPolarHBondContact O-CE1 3.03Å; N174-F183 WeakPolarHBondContact O-CZ 3.4Å
175	T	75.6	Confident	85.7	Confident	72 Å²	72	61.1 Å²	61.1	44%	0.442	33%	0.333	S	S	.	.			trans	-84.7	24.5	179.1	61.8	0	0	0	0	113.8	N173 N177 V187	N173-T175 PolarHBondContact O-N 3.04Å; T175-N177 PolarHBondContact O-N 2.71Å; T175-V187 HydrophobicContact CG2-CG1 4.4Å
176	N	76.3	Confident	86.3	Confident	126 Å²	126	59 Å²	59	67%	0.674	32%	0.322	S	S	*	.			trans	-74.3	-6.5	-175.6	-70.9	-26.3	0	0	0	114.5	N174 P178	N174-N176 PolarHBondContact O-N 3.16Å; N174-N176 WeakPolarHBondContact OD1-CB 3.42Å; N174-N176 PolarHBondContact OD1-N 3.02Å; N174-N176 VanDerWaalsContact OD1-N 3.16Å; N174-N176 PolarHBondContact OD1-ND2 3.38Å; N176-P178 VanDerWaalsContact O-CD 3.28Å; N176-P178 WeakPolarHBondContact O-CD 3.35Å
177	N	76.4	Confident	86.8	Confident	66 Å²	66	54.3 Å²	54.3	35%	0.353	30%	0.297	S	S	.	.			trans	-118	59.3	177.7	-58.5	-59	0	0	0	111.8	T175 D179 D180 F183 Y455	T175-N177 PolarHBondContact O-N 2.71Å; N177-D179 PolarHBondContact O-N 3.32Å; N177-D179 VanDerWaalsContact O-N 3.17Å; N177-D180 PolarHBondContact O-N 3.02Å; N177-F183 HydrophobicContact CB-CD1 4.22Å; N177-F183 HydrophobicContact CB-CE1 4.46Å; N177-Y455 WeakPolarHBondContact ND2-CE1 3.48Å
178	P	78.3	Confident	87.3	Confident	81 Å²	81	53.3 Å²	53.3	53%	0.526	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19	-175.7	29.9	-36.5	0	0	0	113.4	N176 D180	N176-P178 VanDerWaalsContact O-CD 3.28Å; N176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-D180 VanDerWaalsContact C-N 3.32Å
179	D	83	Confident	87.7	Confident	161 Å²	161	53.3 Å²	53.3	86%	0.861	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.5	-178.9	-61.1	-33.4	0	0	0	113	N177 S181	N177-D179 PolarHBondContact O-N 3.32Å; N177-D179 VanDerWaalsContact O-N 3.17Å; D179-S181 PolarHBondContact O-N 2.89Å
180	D	87.3	Confident	88	Confident	23 Å²	23	52.1 Å²	52.1	12%	0.123	29%	0.287	C	S	.	.			trans	-87.2	94.3	173.9	-173	-21.7	0	0	0	109.5	N177 P178 R182 F183 M184 K454 Y455	N177-D180 PolarHBondContact O-N 3.02Å; P178-D180 VanDerWaalsContact C-N 3.32Å; D180-R182 PolarHBondContact O-N 3.31Å; D180-R182 VanDerWaalsContact O-N 3.16Å; D180-R182 PolarHBondContact OD1-N 3.01Å; D180-F183 HydrophobicContact CB-CB 3.74Å; D180-F183 WeakPolarHBondContact O-CB 3.42Å; D180-F183 PolarHBondContact O-N 3.17Å; D180-F183 PolarHBondContact OD1-N 2.89Å; D180-F183 VanDerWaalsContact OD1-N 3.1Å; D180-M184 PolarHBondContact O-N 3.33Å; D180-K454 IonicContact OD2-NZ 2.76Å; D180-K454 PolarHBondContact OD2-NZ 3.32Å; D180-Y455 PolarHBondContact OD2-OH 3.39Å
181	S	88.9	Confident	88.2	Confident	86 Å²	86	49.4 Å²	49.4	60%	0.601	27%	0.27	S	S	*	.	H	α-helix	trans	-58.9	-30.6	-175.9	64.6	0	0	0	0	113.2	D179 M184 S185	D179-S181 PolarHBondContact O-N 2.89Å; S181-M184 PolarHBondContact O-N 3.28Å; S181-S185 PolarHBondContact O-N 3.29Å; S181-S185 PolarHBondContact O-OG 3.35Å
182	R	89.8	Confident	88.3	Confident	62 Å²	62	48.9 Å²	48.9	23%	0.234	27%	0.267	C	S	.	.	H	α-helix	trans	-79.3	-37.3	-178.2	-63	-177.4	177.5	166.5	-0.9	111.2	D180 M184 S185 A186 E518 E521 F527	D180-R182 PolarHBondContact O-N 3.31Å; D180-R182 VanDerWaalsContact O-N 3.16Å; D180-R182 PolarHBondContact OD1-N 3.01Å; R182-M184 VanDerWaalsContact C-N 3.31Å; R182-S185 WeakPolarHBondContact O-CB 3.37Å; R182-S185 PolarHBondContact O-N 3.16Å; R182-A186 PolarHBondContact O-N 3.45Å; R182-A186 VanDerWaalsContact O-N 3.14Å; R182-E518 PolarHBondContact NH1-O 3.41Å; R182-E521 WeakPolarHBondContact CB-OE1 3.46Å; R182-E521 WeakPolarHBondContact CD-OE1 3.49Å; R182-E521 WeakPolarHBondContact CD-OE2 3.28Å; R182-E521 IonicContact CZ-OE2 2.75Å; R182-E521 IonicContact NE-OE2 2.84Å; R182-E521 IonicContact NH1-OE2 2.88Å; R182-E521 PolarHBondContact NH1-OE2 3.27Å; R182-F527 HydrophobicContact CB-CD1 4.18Å; R182-F527 HydrophobicContact CB-CE1 3.57Å; R182-F527 HydrophobicContact CB-CZ 3.86Å; R182-F527 HydrophobicContact CG-CD1 3.93Å; R182-F527 HydrophobicContact CG-CE1 3.83Å; R182-F527 HydrophobicContact CG-CG 4.38Å; R182-F527 HydrophobicContact CG-CZ 4.21Å
183	F	90.5	Very high	88.3	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-46	165.4	-179.4	-105.4	0	0	0	111.7	L171 M172 N174 N177 D180 S185 A186 V187 T451 Y455	L171-F183 HydrophobicContact CD1-CE2 3.69Å; L171-F183 HydrophobicContact CD1-CZ 4.1Å; L171-F183 HydrophobicContact CD2-CE2 4.4Å; L171-F183 HydrophobicContact CG-CE2 3.8Å; L171-F183 HydrophobicContact CG-CZ 4.37Å; L171-F183 WeakPolarHBondContact O-CZ 3.26Å; M172-F183 HydrophobicContact CE-CE2 4.25Å; N174-F183 WeakPolarHBondContact O-CE1 3.03Å; N174-F183 WeakPolarHBondContact O-CZ 3.4Å; N177-F183 HydrophobicContact CB-CD1 4.22Å; N177-F183 HydrophobicContact CB-CE1 4.46Å; D180-F183 HydrophobicContact CB-CB 3.74Å; D180-F183 WeakPolarHBondContact O-CB 3.42Å; D180-F183 PolarHBondContact O-N 3.17Å; D180-F183 PolarHBondContact OD1-N 2.89Å; D180-F183 VanDerWaalsContact OD1-N 3.1Å; F183-S185 VanDerWaalsContact C-N 3.3Å; F183-S185 PolarHBondContact O-N 3.09Å; F183-A186 WeakPolarHBondContact O-CB 3.27Å; F183-A186 PolarHBondContact O-N 3.32Å; F183-V187 HydrophobicContact CD1-CG2 4.19Å; F183-V187 HydrophobicContact CE1-CG2 3.76Å; F183-V187 HydrophobicContact CE2-CG2 4.46Å; F183-V187 HydrophobicContact CZ-CG2 3.92Å; F183-V187 WeakPolarHBondContact O-CG2 3.35Å; F183-V187 PolarHBondContact O-N 3.46Å; F183-T451 HydrophobicContact CB-CG2 4.17Å; F183-T451 HydrophobicContact CD2-CG2 4.28Å; F183-Y455 HydrophobicContact CB-CE2 4.03Å; F183-Y455 AromaticContact CD2-CD2 3.84Å; F183-Y455 HydrophobicContact CD2-CD2 3.84Å; F183-Y455 AromaticContact CD2-CE2 3.4Å; F183-Y455 HydrophobicContact CD2-CE2 3.4Å; F183-Y455 VanDerWaalsContact CD2-CE2 3.4Å; F183-Y455 AromaticContact CD2-CZ 3.88Å; F183-Y455 HydrophobicContact CE2-CD2 4.18Å; F183-Y455 HydrophobicContact CE2-CE2 4.11Å; F183-Y455 AromaticContact CG-CE2 3.91Å; F183-Y455 HydrophobicContact CG-CE2 3.91Å
184	M	92.4	Very high	88.3	Confident	43 Å²	43	45.9 Å²	45.9	21%	0.212	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-34.3	176.3	-69.7	-54.9	-55.5	0	0	112.8	D180 S181 R182 A186 V187 N188	D180-M184 PolarHBondContact O-N 3.33Å; S181-M184 PolarHBondContact O-N 3.28Å; R182-M184 VanDerWaalsContact C-N 3.31Å; M184-A186 VanDerWaalsContact C-N 3.32Å; M184-A186 PolarHBondContact O-N 2.97Å; M184-V187 HydrophobicContact CE-CG1 4.41Å; M184-V187 PolarHBondContact O-N 3.43Å; M184-N188 WeakPolarHBondContact O-CB 3.18Å; M184-N188 PolarHBondContact O-N 2.83Å; M184-N188 PolarHBondContact O-OD1 3.02Å
185	S	94	Very high	88.4	Confident	21 Å²	21	47 Å²	47	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-39.9	170.6	-65.9	0	0	0	0	112.6	S181 R182 F183 N188 Y189 I531	S181-S185 PolarHBondContact O-N 3.29Å; S181-S185 PolarHBondContact O-OG 3.35Å; R182-S185 WeakPolarHBondContact O-CB 3.37Å; R182-S185 PolarHBondContact O-N 3.16Å; F183-S185 VanDerWaalsContact C-N 3.3Å; F183-S185 PolarHBondContact O-N 3.09Å; S185-N188 PolarHBondContact O-N 3.48Å; S185-Y189 WeakPolarHBondContact O-CB 3.48Å; S185-Y189 PolarHBondContact O-N 3.32Å; S185-I531 WeakPolarHBondContact O-CG2 3.25Å
186	A	94.1	Very high	88.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-43.9	175.3	0	0	0	0	0	111.6	M172 R182 F183 M184 Y189 Y190 F448 T451	M172-A186 HydrophobicContact CE-CB 4.14Å; M172-A186 HydrophobicContact SD-CB 3.94Å; R182-A186 PolarHBondContact O-N 3.45Å; R182-A186 VanDerWaalsContact O-N 3.14Å; F183-A186 WeakPolarHBondContact O-CB 3.27Å; F183-A186 PolarHBondContact O-N 3.32Å; M184-A186 VanDerWaalsContact C-N 3.32Å; M184-A186 PolarHBondContact O-N 2.97Å; A186-Y189 PolarHBondContact O-N 2.88Å; A186-Y190 WeakPolarHBondContact O-CB 3.33Å; A186-Y190 PolarHBondContact O-N 2.66Å; A186-F448 HydrophobicContact CB-CB 3.75Å; A186-F448 HydrophobicContact CB-CD1 3.61Å; A186-F448 HydrophobicContact CB-CD2 3.94Å; A186-F448 HydrophobicContact CB-CE1 4.2Å; A186-F448 HydrophobicContact CB-CE2 4.5Å; A186-F448 HydrophobicContact CB-CG 3.47Å; A186-F448 VanDerWaalsContact CB-CG 3.47Å; A186-T451 HydrophobicContact CB-CG2 4.23Å
187	V	94.7	Very high	87.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-47.5	175.1	174	0	0	0	0	111.1	M172 T175 F183 M184 Y189 Y190 K191	M172-V187 HydrophobicContact SD-CG2 4.39Å; T175-V187 HydrophobicContact CG2-CG1 4.4Å; F183-V187 HydrophobicContact CD1-CG2 4.19Å; F183-V187 HydrophobicContact CE1-CG2 3.76Å; F183-V187 HydrophobicContact CE2-CG2 4.46Å; F183-V187 HydrophobicContact CZ-CG2 3.92Å; F183-V187 WeakPolarHBondContact O-CG2 3.35Å; F183-V187 PolarHBondContact O-N 3.46Å; M184-V187 HydrophobicContact CE-CG1 4.41Å; M184-V187 PolarHBondContact O-N 3.43Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 2.97Å; V187-Y190 WeakPolarHBondContact O-CB 3.33Å; V187-Y190 PolarHBondContact O-N 3.11Å; V187-K191 HydrophobicContact CG1-CD 4.14Å; V187-K191 HydrophobicContact CG1-CG 4.33Å; V187-K191 WeakPolarHBondContact O-CB 3.46Å; V187-K191 WeakPolarHBondContact O-CG 3.41Å; V187-K191 PolarHBondContact O-N 3.48Å
188	N	94.7	Very high	87.2	Confident	35 Å²	35	44.8 Å²	44.8	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-42	178.8	-70.2	-2.9	0	0	0	111.4	M184 S185 S192 I531 E533	M184-N188 WeakPolarHBondContact O-CB 3.18Å; M184-N188 PolarHBondContact O-N 2.83Å; M184-N188 PolarHBondContact O-OD1 3.02Å; S185-N188 PolarHBondContact O-N 3.48Å; N188-S192 WeakPolarHBondContact O-CB 3.36Å; N188-S192 PolarHBondContact O-N 3.47Å; N188-S192 PolarHBondContact O-OG 3.21Å; N188-I531 HydrophobicContact CB-CG2 4.18Å; N188-I531 PolarHBondContact ND2-O 3.34Å; N188-I531 VanDerWaalsContact ND2-O 3.12Å; N188-E533 HydrophobicContact CB-CB 4.28Å
189	Y	95.3	Very high	86.7	Confident	1 Å²	1	42.4 Å²	42.4	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-47.4	174.9	-163.8	-73.8	0	0	0	111.6	S185 A186 V187 K191 S192 C193 E443 V444 N447 F448 I531 N539	S185-Y189 WeakPolarHBondContact O-CB 3.48Å; S185-Y189 PolarHBondContact O-N 3.32Å; A186-Y189 PolarHBondContact O-N 2.88Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 2.97Å; Y189-K191 PolarHBondContact O-N 2.86Å; Y189-S192 PolarHBondContact O-N 3.37Å; Y189-S192 PolarHBondContact O-OG 3.35Å; Y189-C193 WeakPolarHBondContact O-CB 3.32Å; Y189-C193 PolarHBondContact O-N 3.4Å; Y189-E443 HydrophobicContact CE1-CB 3.68Å; Y189-E443 HydrophobicContact CE1-CG 4.48Å; Y189-E443 PolarHBondContact OH-OE2 2.81Å; Y189-E443 VanDerWaalsContact OH-OE2 3.12Å; Y189-V444 HydrophobicContact CD1-CG2 4.2Å; Y189-N447 PolarHBondContact OH-ND2 3.39Å; Y189-F448 HydrophobicContact CD1-CE2 4.21Å; Y189-F448 AromaticContact CD2-CE2 3.65Å; Y189-F448 HydrophobicContact CD2-CE2 3.65Å; Y189-F448 AromaticContact CD2-CZ 3.88Å; Y189-F448 HydrophobicContact CD2-CZ 3.88Å; Y189-F448 HydrophobicContact CE2-CE2 4.47Å; Y189-F448 AromaticContact CG-CE2 3.5Å; Y189-F448 HydrophobicContact CG-CE2 3.5Å; Y189-F448 VanDerWaalsContact CG-CE2 3.5Å; Y189-F448 HydrophobicContact CG-CZ 4.03Å; Y189-I531 HydrophobicContact CD2-CG2 4.12Å; Y189-I531 HydrophobicContact CG-CG2 4.49Å; Y189-N539 HydrophobicContact CD2-CB 3.72Å; Y189-N539 HydrophobicContact CE2-CB 3.66Å; Y189-N539 WeakPolarHBondContact CE2-O 3.49Å
190	Y	94.6	Very high	86.6	Confident	25 Å²	25	41.5 Å²	41.5	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-51.6	-179.8	178	-113.6	0	0	0	110.8	M172 A186 V187 C193 T194 C440 I441 V444	M172-Y190 HydrophobicContact CB-CD1 3.34Å; M172-Y190 HydrophobicContact CB-CD2 4.4Å; M172-Y190 HydrophobicContact CB-CE1 3.8Å; M172-Y190 HydrophobicContact CB-CG 3.65Å; M172-Y190 HydrophobicContact CG-CD1 4.02Å; M172-Y190 HydrophobicContact CG-CD2 4.24Å; M172-Y190 HydrophobicContact CG-CG 3.77Å; A186-Y190 WeakPolarHBondContact O-CB 3.33Å; A186-Y190 PolarHBondContact O-N 2.66Å; V187-Y190 WeakPolarHBondContact O-CB 3.33Å; V187-Y190 PolarHBondContact O-N 3.11Å; Y190-C193 WeakPolarHBondContact O-CB 3.3Å; Y190-C193 PolarHBondContact O-N 3.2Å; Y190-T194 HydrophobicContact CD1-CG2 4.49Å; Y190-T194 HydrophobicContact CD2-CG2 4.06Å; Y190-T194 HydrophobicContact CE1-CG2 4.1Å; Y190-T194 HydrophobicContact CE2-CG2 3.59Å; Y190-T194 HydrophobicContact CG-CG2 4.5Å; Y190-T194 WeakPolarHBondContact O-CG2 3.32Å; Y190-T194 PolarHBondContact O-N 3.37Å; Y190-T194 PolarHBondContact O-OG1 2.87Å; Y190-C440 HydrophobicContact CD2-CB 4.36Å; Y190-C440 HydrophobicContact CE2-CB 4.36Å; Y190-I441 HydrophobicContact CD2-CD1 4.09Å; Y190-I441 HydrophobicContact CE2-CD1 3.36Å; Y190-I441 HydrophobicContact CE2-CG1 4.3Å; Y190-V444 HydrophobicContact CD2-CG2 3.97Å; Y190-V444 HydrophobicContact CG-CG2 4.36Å
191	K	93.2	Very high	86.3	Confident	53 Å²	53	45.1 Å²	45.1	23%	0.23	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-45.8	179.8	-71.4	-175.7	-178.5	-179.5	0	112.8	V187 Y189 C193 T194 D195 E533	V187-K191 HydrophobicContact CG1-CD 4.14Å; V187-K191 HydrophobicContact CG1-CG 4.33Å; V187-K191 WeakPolarHBondContact O-CB 3.46Å; V187-K191 WeakPolarHBondContact O-CG 3.41Å; V187-K191 PolarHBondContact O-N 3.48Å; Y189-K191 PolarHBondContact O-N 2.86Å; K191-C193 PolarHBondContact O-N 3.29Å; K191-T194 WeakPolarHBondContact CA-OG1 3.25Å; K191-T194 PolarHBondContact O-N 2.82Å; K191-T194 VanDerWaalsContact O-N 3.07Å; K191-T194 PolarHBondContact O-OG1 2.9Å; K191-D195 VanDerWaalsContact O-CB 3.29Å; K191-D195 WeakPolarHBondContact O-CB 3.33Å; K191-D195 VanDerWaalsContact O-CG 3.28Å; K191-D195 PolarHBondContact O-N 2.82Å; K191-E533 HydrophobicContact CB-CG 3.86Å; K191-E533 HydrophobicContact CD-CG 3.9Å; K191-E533 WeakPolarHBondContact CD-OE1 3.41Å; K191-E533 WeakPolarHBondContact CD-OE2 3.42Å; K191-E533 IonicContact NZ-OE1 3.31Å; K191-E533 PolarHBondContact NZ-OE1 3.39Å; K191-E533 IonicContact NZ-OE2 2.66Å; K191-E533 PolarHBondContact NZ-OE2 2.85Å
192	S	92.9	Very high	86	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-35.4	178	76.8	0	0	0	0	111.6	N188 Y189 S196 E533 Y536 N539	N188-S192 WeakPolarHBondContact O-CB 3.36Å; N188-S192 PolarHBondContact O-N 3.47Å; N188-S192 PolarHBondContact O-OG 3.21Å; Y189-S192 PolarHBondContact O-N 3.37Å; Y189-S192 PolarHBondContact O-OG 3.35Å; S192-S196 WeakPolarHBondContact O-CB 3.43Å; S192-S196 PolarHBondContact O-N 3.14Å; S192-E533 VanDerWaalsContact CA-O 3.3Å; S192-E533 WeakPolarHBondContact CA-O 3.34Å; S192-E533 WeakPolarHBondContact CB-O 3.39Å; S192-Y536 WeakPolarHBondContact O-CB 3.24Å; S192-N539 PolarHBondContact OG-ND2 3.25Å
193	C	92.4	Very high	85.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.7	-38.5	173	-172.8	0	0	0	0	113.8	Y189 Y190 K191 P197 C440 E443 Y536	Y189-C193 WeakPolarHBondContact O-CB 3.32Å; Y189-C193 PolarHBondContact O-N 3.4Å; Y190-C193 WeakPolarHBondContact O-CB 3.3Å; Y190-C193 PolarHBondContact O-N 3.2Å; K191-C193 PolarHBondContact O-N 3.29Å; C193-P197 WeakPolarHBondContact O-CD 3.37Å; C193-P197 WeakPolarHBondContact O-CG 3.33Å; C193-C440 HydrophobicContact CB-CB 3.71Å; C193-C440 WeakPolarHBondContact CB-SG 3.31Å; C193-C440 PolarHBondContact O-SG 3.17Å; C193-C440 WeakPolarHBondContact SG-CA 3.18Å; C193-C440 WeakPolarHBondContact SG-CB 3.42Å; C193-C440 CovalentContact SG-SG 2.04Å; C193-C440 PolarHBondContact SG-SG 3.1Å; C193-E443 PolarHBondContact SG-OE1 3.29Å; C193-Y536 VanDerWaalsContact CA-CD2 3.47Å; C193-Y536 HydrophobicContact CB-CD2 3.74Å; C193-Y536 HydrophobicContact CB-CE2 3.48Å; C193-Y536 VanDerWaalsContact CB-CE2 3.48Å; C193-Y536 VanDerWaalsContact SG-CE2 3.6Å
194	T	89	Confident	85.5	Confident	41 Å²	41	43.4 Å²	43.4	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-81.1	-27.8	-178	53.2	0	0	0	0	113.8	Y190 K191 P197 C440	Y190-T194 HydrophobicContact CD1-CG2 4.49Å; Y190-T194 HydrophobicContact CD2-CG2 4.06Å; Y190-T194 HydrophobicContact CE1-CG2 4.1Å; Y190-T194 HydrophobicContact CE2-CG2 3.59Å; Y190-T194 HydrophobicContact CG-CG2 4.5Å; Y190-T194 WeakPolarHBondContact O-CG2 3.32Å; Y190-T194 PolarHBondContact O-N 3.37Å; Y190-T194 PolarHBondContact O-OG1 2.87Å; K191-T194 WeakPolarHBondContact CA-OG1 3.25Å; K191-T194 PolarHBondContact O-N 2.82Å; K191-T194 VanDerWaalsContact O-N 3.07Å; K191-T194 PolarHBondContact O-OG1 2.9Å; T194-P197 WeakPolarHBondContact O-CD 3.43Å; T194-C440 HydrophobicContact CG2-CB 4.09Å
195	D	83.8	Confident	85.1	Confident	87 Å²	87	43.5 Å²	43.5	47%	0.465	24%	0.24	S	C	.	.	H	α-helix	trans	-84.4	-32.8	-178.9	-66.6	-15.4	0	0	0	111.5	K191 N198	K191-D195 VanDerWaalsContact O-CB 3.29Å; K191-D195 WeakPolarHBondContact O-CB 3.33Å; K191-D195 VanDerWaalsContact O-CG 3.28Å; K191-D195 PolarHBondContact O-N 2.82Å; D195-N198 PolarHBondContact O-N 3.21Å; D195-N198 VanDerWaalsContact O-N 3.11Å
196	S	73.4	Confident	84.6	Confident	7 Å²	7	47.3 Å²	47.3	5%	0.049	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.1	-41.2	178.5	-173.7	0	0	0	0	114.1	S192 N198 A199 I204 Y424	S192-S196 WeakPolarHBondContact O-CB 3.43Å; S192-S196 PolarHBondContact O-N 3.14Å; S196-N198 PolarHBondContact O-N 2.94Å; S196-N198 VanDerWaalsContact O-N 3.13Å; S196-A199 WeakPolarHBondContact O-CB 3.2Å; S196-A199 PolarHBondContact O-N 2.84Å; S196-I204 WeakPolarHBondContact OG-CD1 3.36Å; S196-Y424 WeakPolarHBondContact CB-OH 3.46Å; S196-Y424 PolarHBondContact OG-OH 3.47Å; S196-Y424 VanDerWaalsContact OG-OH 3.07Å
197	P	63.5	Low	84.3	Confident	71 Å²	71	49.1 Å²	49.1	46%	0.461	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-57.8	-23	174.1	-28.1	34	0	0	0	115.9	C193 T194 A199	C193-P197 WeakPolarHBondContact O-CD 3.37Å; C193-P197 WeakPolarHBondContact O-CG 3.33Å; T194-P197 WeakPolarHBondContact O-CD 3.43Å; P197-A199 VanDerWaalsContact C-N 3.32Å
198	N	64.7	Low	84.1	Confident	138 Å²	138	49.1 Å²	49.1	74%	0.738	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-88.3	-4.4	177.6	-63.9	-46.2	0	0	0	112.7	D195 S196	D195-N198 PolarHBondContact O-N 3.21Å; D195-N198 VanDerWaalsContact O-N 3.11Å; S196-N198 PolarHBondContact O-N 2.94Å; S196-N198 VanDerWaalsContact O-N 3.13Å
199	A	68.9	Low	83.7	Confident	31 Å²	31	48.6 Å²	48.6	26%	0.256	26%	0.264	S	S	.	.	S	Bend	trans	-78.4	143.5	179.8	0	0	0	0	0	111.1	S196 P197 V203 I204	S196-A199 WeakPolarHBondContact O-CB 3.2Å; S196-A199 PolarHBondContact O-N 2.84Å; P197-A199 VanDerWaalsContact C-N 3.32Å; A199-V203 HydrophobicContact CB-CB 3.81Å; A199-V203 HydrophobicContact CB-CG1 3.85Å; A199-V203 HydrophobicContact CB-CG2 4.35Å; A199-I204 HydrophobicContact CB-CD1 4.23Å
200	E	79.8	Confident	83.3	Confident	143 Å²	143	53.7 Å²	53.7	67%	0.668	29%	0.286	S	S	*	.			trans	-58.2	148.8	172	-63.7	-178.3	166.7	0	0	110.2	S202 V203 I204	E200-S202 PolarHBondContact O-N 2.94Å; E200-V203 HydrophobicContact CB-CG2 4.32Å; E200-V203 WeakPolarHBondContact O-CA 3.03Å; E200-V203 VanDerWaalsContact O-CB 3.31Å; E200-V203 WeakPolarHBondContact O-CB 2.82Å; E200-V203 PolarHBondContact O-N 2.88Å; E200-I204 PolarHBondContact O-N 3.3Å
201	I	82.5	Confident	83.2	Confident	98 Å²	98	52.5 Å²	52.5	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-50.5	-37.5	178.6	-69.4	173.8	0	0	0	111.6	V203 I204 E205 Y425	I201-V203 VanDerWaalsContact C-N 3.27Å; I201-V203 PolarHBondContact O-N 3.44Å; I201-I204 WeakPolarHBondContact O-CB 3.42Å; I201-I204 PolarHBondContact O-N 2.69Å; I201-E205 HydrophobicContact CG2-CG 4.18Å; I201-E205 WeakPolarHBondContact O-CG 3.3Å; I201-E205 PolarHBondContact O-N 2.69Å; I201-Y425 HydrophobicContact CG2-CE1 3.67Å
202	S	81.1	Confident	83.1	Confident	54 Å²	54	50 Å²	50	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-28.5	176.3	44.3	0	0	0	0	114.4	E200 N206	E200-S202 PolarHBondContact O-N 2.94Å; S202-N206 VanDerWaalsContact O-CG 3.31Å; S202-N206 PolarHBondContact O-N 3.33Å; S202-N206 PolarHBondContact O-ND2 3.01Å
203	V	83.8	Confident	82.8	Confident	58 Å²	58	52.2 Å²	52.2	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-70.7	-48.5	173.5	-179.5	0	0	0	0	109.4	A199 E200 I201 E205 N206 E207	A199-V203 HydrophobicContact CB-CB 3.81Å; A199-V203 HydrophobicContact CB-CG1 3.85Å; A199-V203 HydrophobicContact CB-CG2 4.35Å; E200-V203 HydrophobicContact CB-CG2 4.32Å; E200-V203 WeakPolarHBondContact O-CA 3.03Å; E200-V203 VanDerWaalsContact O-CB 3.31Å; E200-V203 WeakPolarHBondContact O-CB 2.82Å; E200-V203 PolarHBondContact O-N 2.88Å; I201-V203 VanDerWaalsContact C-N 3.27Å; I201-V203 PolarHBondContact O-N 3.44Å; V203-E205 VanDerWaalsContact C-N 3.33Å; V203-E205 PolarHBondContact O-N 2.96Å; V203-N206 WeakPolarHBondContact O-CB 3.22Å; V203-N206 PolarHBondContact O-N 3.43Å; V203-E207 PolarHBondContact O-N 3.29Å
204	I	85.9	Confident	82.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-44.5	176	-57.3	-59	0	0	0	111.4	S196 A199 E200 I201 N206 E207 V208 Y424 Y425 F537	S196-I204 WeakPolarHBondContact OG-CD1 3.36Å; A199-I204 HydrophobicContact CB-CD1 4.23Å; E200-I204 PolarHBondContact O-N 3.3Å; I201-I204 WeakPolarHBondContact O-CB 3.42Å; I201-I204 PolarHBondContact O-N 2.69Å; I204-N206 VanDerWaalsContact C-N 3.3Å; I204-N206 PolarHBondContact O-N 3.39Å; I204-E207 PolarHBondContact O-N 3.1Å; I204-V208 HydrophobicContact CG2-CG2 4.45Å; I204-V208 WeakPolarHBondContact O-CG2 3.39Å; I204-V208 PolarHBondContact O-N 3.28Å; I204-Y424 HydrophobicContact CD1-CD1 3.84Å; I204-Y424 HydrophobicContact CD1-CE1 3.59Å; I204-Y424 HydrophobicContact CD1-CG 4.48Å; I204-Y424 HydrophobicContact CG1-CD1 3.76Å; I204-Y424 HydrophobicContact CG1-CE1 4.06Å; I204-Y424 HydrophobicContact CG1-CG 4.26Å; I204-Y424 HydrophobicContact CG2-CD1 4.32Å; I204-Y424 HydrophobicContact CG2-CD2 4.18Å; I204-Y424 HydrophobicContact CG2-CG 3.96Å; I204-Y425 HydrophobicContact CG2-CE2 3.86Å; I204-F537 HydrophobicContact CD1-CE2 4.18Å; I204-F537 HydrophobicContact CG2-CE2 3.83Å; I204-F537 HydrophobicContact CG2-CZ 3.72Å
205	E	85.2	Confident	82.8	Confident	45 Å²	45	55.5 Å²	55.5	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-54.8	-46.7	173.9	-73.1	-178.7	178.5	0	0	111.3	I201 V203 V208 I209 G310 Y425	I201-E205 HydrophobicContact CG2-CG 4.18Å; I201-E205 WeakPolarHBondContact O-CG 3.3Å; I201-E205 PolarHBondContact O-N 2.69Å; V203-E205 VanDerWaalsContact C-N 3.33Å; V203-E205 PolarHBondContact O-N 2.96Å; E205-V208 PolarHBondContact O-N 2.88Å; E205-I209 WeakPolarHBondContact O-CB 2.81Å; E205-I209 WeakPolarHBondContact O-CD1 3.26Å; E205-I209 WeakPolarHBondContact O-CG1 3.36Å; E205-I209 PolarHBondContact O-N 3.45Å; E205-G310 PolarHBondContact OE1-N 2.73Å; E205-Y425 VanDerWaalsContact CG-OH 3.3Å; E205-Y425 WeakPolarHBondContact CG-OH 3.4Å; E205-Y425 PolarHBondContact N-OH 3Å
206	N	83.7	Confident	83.1	Confident	102 Å²	102	51.6 Å²	51.6	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-38.1	179.7	-75.6	-43.8	0	0	0	112.7	S202 V203 I204 I209 K210	S202-N206 VanDerWaalsContact O-CG 3.31Å; S202-N206 PolarHBondContact O-N 3.33Å; S202-N206 PolarHBondContact O-ND2 3.01Å; V203-N206 WeakPolarHBondContact O-CB 3.22Å; V203-N206 PolarHBondContact O-N 3.43Å; I204-N206 VanDerWaalsContact C-N 3.3Å; I204-N206 PolarHBondContact O-N 3.39Å; N206-I209 PolarHBondContact O-N 3.14Å; N206-K210 WeakPolarHBondContact O-CB 3.41Å; N206-K210 PolarHBondContact O-N 3.45Å
207	E	87.6	Confident	83.5	Confident	38 Å²	38	57.5 Å²	57.5	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-46.1	176.2	-70.7	179.2	178.9	0	0	111.7	V203 I204 I209 K210 L211 F537	V203-E207 PolarHBondContact O-N 3.29Å; I204-E207 PolarHBondContact O-N 3.1Å; E207-I209 VanDerWaalsContact C-N 3.32Å; E207-I209 PolarHBondContact O-N 3.16Å; E207-K210 WeakPolarHBondContact O-CB 3.47Å; E207-K210 PolarHBondContact O-N 3.02Å; E207-K210 VanDerWaalsContact O-N 3.16Å; E207-L211 PolarHBondContact O-N 2.96Å; E207-F537 HydrophobicContact CB-CD2 3.65Å; E207-F537 HydrophobicContact CB-CE2 4.15Å; E207-F537 VanDerWaalsContact OE2-CD2 3.29Å; E207-F537 WeakPolarHBondContact OE2-CD2 3.41Å; E207-F537 WeakPolarHBondContact OE2-CE2 3.42Å
208	V	89.4	Confident	84.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-42.3	175.2	175.7	0	0	0	0	110.6	I204 E205 K210 L211 I212 W219 L309 L414 L421 F537	I204-V208 HydrophobicContact CG2-CG2 4.45Å; I204-V208 WeakPolarHBondContact O-CG2 3.39Å; I204-V208 PolarHBondContact O-N 3.28Å; E205-V208 PolarHBondContact O-N 2.88Å; V208-K210 PolarHBondContact O-N 3.47Å; V208-L211 PolarHBondContact O-N 3.1Å; V208-I212 WeakPolarHBondContact O-CG1 3.39Å; V208-I212 PolarHBondContact O-N 2.9Å; V208-W219 HydrophobicContact CG1-CZ3 4.4Å; V208-L309 HydrophobicContact CG1-CD1 4.16Å; V208-L309 HydrophobicContact CG1-CD2 4.21Å; V208-L309 HydrophobicContact CG2-CD2 4.43Å; V208-L414 HydrophobicContact CG1-CD2 3.72Å; V208-L421 HydrophobicContact CG2-CD2 3.85Å; V208-F537 HydrophobicContact CG2-CD1 3.99Å; V208-F537 HydrophobicContact CG2-CD2 4.3Å; V208-F537 HydrophobicContact CG2-CE1 3.71Å; V208-F537 HydrophobicContact CG2-CE2 4.04Å; V208-F537 HydrophobicContact CG2-CG 4.27Å; V208-F537 HydrophobicContact CG2-CZ 3.74Å
209	I	86.8	Confident	85.1	Confident	23 Å²	23	47.6 Å²	47.6	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-46.3	174.2	-73.1	167.1	0	0	0	110.9	E205 N206 E207 L211 I212 I213 W219 A224	E205-I209 WeakPolarHBondContact O-CB 2.81Å; E205-I209 WeakPolarHBondContact O-CD1 3.26Å; E205-I209 WeakPolarHBondContact O-CG1 3.36Å; E205-I209 PolarHBondContact O-N 3.45Å; N206-I209 PolarHBondContact O-N 3.14Å; E207-I209 VanDerWaalsContact C-N 3.32Å; E207-I209 PolarHBondContact O-N 3.16Å; I209-L211 VanDerWaalsContact C-N 3.34Å; I209-L211 PolarHBondContact O-N 2.74Å; I209-I212 PolarHBondContact O-N 3.29Å; I209-I213 HydrophobicContact CG2-CD1 3.67Å; I209-I213 HydrophobicContact CG2-CG1 4.34Å; I209-I213 WeakPolarHBondContact O-CB 3.09Å; I209-I213 VanDerWaalsContact O-CG1 3.26Å; I209-I213 WeakPolarHBondContact O-CG1 3.25Å; I209-I213 PolarHBondContact O-N 2.89Å; I209-W219 HydrophobicContact CB-CE3 4.36Å; I209-W219 HydrophobicContact CB-CZ3 4.44Å; I209-W219 HydrophobicContact CG1-CE3 3.74Å; I209-W219 HydrophobicContact CG1-CZ3 3.54Å; I209-A224 HydrophobicContact CD1-CB 4.5Å; I209-A224 HydrophobicContact CG2-CB 3.32Å
210	K	87.3	Confident	85.7	Confident	108 Å²	108	47.9 Å²	47.9	47%	0.47	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-43	178.8	-175.6	-166.9	175.6	-154.5	0	111	N206 E207 V208 I213 T214 D535	N206-K210 WeakPolarHBondContact O-CB 3.41Å; N206-K210 PolarHBondContact O-N 3.45Å; E207-K210 WeakPolarHBondContact O-CB 3.47Å; E207-K210 PolarHBondContact O-N 3.02Å; E207-K210 VanDerWaalsContact O-N 3.16Å; V208-K210 PolarHBondContact O-N 3.47Å; K210-I213 PolarHBondContact O-N 3.4Å; K210-T214 WeakPolarHBondContact O-CB 3.4Å; K210-T214 PolarHBondContact O-N 2.98Å; K210-T214 PolarHBondContact O-OG1 3.12Å; K210-D535 IonicContact NZ-OD2 2.73Å; K210-D535 PolarHBondContact NZ-OD2 3.16Å
211	L	92.1	Very high	85.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-52.1	175.7	178.2	64.3	0	0	0	111.2	E207 V208 I209 I213 T214 L215 F413 M417 F537 M538	E207-L211 PolarHBondContact O-N 2.96Å; V208-L211 PolarHBondContact O-N 3.1Å; I209-L211 VanDerWaalsContact C-N 3.34Å; I209-L211 PolarHBondContact O-N 2.74Å; L211-I213 VanDerWaalsContact C-N 3.35Å; L211-I213 PolarHBondContact O-N 3.48Å; L211-T214 PolarHBondContact O-N 3.37Å; L211-L215 HydrophobicContact CD1-CD1 3.56Å; L211-L215 HydrophobicContact CD1-CG 4.02Å; L211-L215 HydrophobicContact CG-CD1 4.03Å; L211-L215 PolarHBondContact O-N 2.91Å; L211-F413 HydrophobicContact CD2-CE1 3.76Å; L211-F413 HydrophobicContact CD2-CZ 4.01Å; L211-F413 HydrophobicContact CG-CE1 4.15Å; L211-F413 HydrophobicContact CG-CZ 4.34Å; L211-M417 HydrophobicContact CD2-CE 3.77Å; L211-M417 HydrophobicContact CD2-SD 3.82Å; L211-F537 HydrophobicContact CB-CB 4.47Å; L211-F537 HydrophobicContact CD2-CB 3.96Å; L211-M538 HydrophobicContact CD1-CE 3.73Å; L211-M538 HydrophobicContact CD1-SD 3.72Å
212	I	91.1	Very high	85.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-41	-179.4	-59.5	-64.4	0	0	0	111.5	V208 I209 T214 F216 W219 T410 F413 L414	V208-I212 WeakPolarHBondContact O-CG1 3.39Å; V208-I212 PolarHBondContact O-N 2.9Å; I209-I212 PolarHBondContact O-N 3.29Å; I212-T214 VanDerWaalsContact C-N 3.29Å; I212-T214 PolarHBondContact O-N 2.95Å; I212-F216 HydrophobicContact CD1-CD2 4.16Å; I212-F216 HydrophobicContact CD1-CE2 4.16Å; I212-F216 HydrophobicContact CG2-CB 4.43Å; I212-F216 HydrophobicContact CG2-CD2 4.03Å; I212-F216 WeakPolarHBondContact O-CB 3.47Å; I212-F216 PolarHBondContact O-N 3.27Å; I212-W219 HydrophobicContact CB-CB 4.21Å; I212-W219 HydrophobicContact CB-CD2 4.23Å; I212-W219 HydrophobicContact CB-CE3 4.21Å; I212-W219 HydrophobicContact CB-CG 4.25Å; I212-W219 HydrophobicContact CG1-CD2 4.28Å; I212-W219 HydrophobicContact CG1-CE3 4.18Å; I212-W219 HydrophobicContact CG2-CB 3.52Å; I212-W219 HydrophobicContact CG2-CD2 3.98Å; I212-W219 HydrophobicContact CG2-CE3 4.45Å; I212-W219 HydrophobicContact CG2-CG 3.55Å; I212-T410 HydrophobicContact CG2-CG2 3.69Å; I212-F413 HydrophobicContact CD1-CD1 3.46Å; I212-F413 VanDerWaalsContact CD1-CD1 3.46Å; I212-F413 HydrophobicContact CD1-CE1 3.77Å; I212-L414 HydrophobicContact CD1-CD2 4.08Å; I212-L414 HydrophobicContact CD1-CG 4.19Å; I212-L414 HydrophobicContact CG1-CD2 4.48Å
213	I	86.6	Confident	84.8	Confident	50 Å²	50	37.7 Å²	37.7	26%	0.256	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-41.8	176.4	-69.9	173.1	0	0	0	110.9	I209 K210 L211 K217 G218 A224 I228	I209-I213 HydrophobicContact CG2-CD1 3.67Å; I209-I213 HydrophobicContact CG2-CG1 4.34Å; I209-I213 WeakPolarHBondContact O-CB 3.09Å; I209-I213 VanDerWaalsContact O-CG1 3.26Å; I209-I213 WeakPolarHBondContact O-CG1 3.25Å; I209-I213 PolarHBondContact O-N 2.89Å; K210-I213 PolarHBondContact O-N 3.4Å; L211-I213 VanDerWaalsContact C-N 3.35Å; L211-I213 PolarHBondContact O-N 3.48Å; I213-K217 CarbonylContact O-C 3.5Å; I213-K217 WeakPolarHBondContact O-CA 3.27Å; I213-K217 PolarHBondContact O-N 3.47Å; I213-G218 PolarHBondContact O-N 2.94Å; I213-A224 HydrophobicContact CD1-CB 4.02Å; I213-I228 HydrophobicContact CD1-CD1 4.38Å; I213-I228 HydrophobicContact CD1-CG1 4.44Å; I213-I228 HydrophobicContact CG1-CD1 4.14Å; I213-I228 HydrophobicContact CG2-CD1 4.13Å; I213-I228 HydrophobicContact CG2-CG1 4.45Å
214	T	88.9	Confident	84	Confident	81 Å²	81	35.5 Å²	35.5	50%	0.497	18%	0.177	S	C	.	.	H	α-helix	trans	-67	-48.1	-178.3	-56.9	0	0	0	0	111.4	K210 L211 I212 M538	K210-T214 WeakPolarHBondContact O-CB 3.4Å; K210-T214 PolarHBondContact O-N 2.98Å; K210-T214 PolarHBondContact O-OG1 3.12Å; L211-T214 PolarHBondContact O-N 3.37Å; I212-T214 VanDerWaalsContact C-N 3.29Å; I212-T214 PolarHBondContact O-N 2.95Å; T214-M538 HydrophobicContact CG2-CE 3.59Å
215	L	91.8	Very high	83	Confident	29 Å²	29	35.6 Å²	35.6	15%	0.152	18%	0.177	C	C	.	.	H	α-helix	trans	-78.9	-42.1	-175.1	-65.1	179.7	0	0	0	113.2	L211 P250 F413 M538 Y541	L211-L215 HydrophobicContact CD1-CD1 3.56Å; L211-L215 HydrophobicContact CD1-CG 4.02Å; L211-L215 HydrophobicContact CG-CD1 4.03Å; L211-L215 PolarHBondContact O-N 2.91Å; L215-P250 HydrophobicContact CB-CB 4Å; L215-P250 HydrophobicContact CB-CG 4.18Å; L215-P250 HydrophobicContact CD1-CB 4.44Å; L215-P250 HydrophobicContact CD2-CB 4.36Å; L215-P250 WeakPolarHBondContact O-CG 3.09Å; L215-F413 HydrophobicContact CD1-CE1 4.06Å; L215-F413 HydrophobicContact CD1-CE2 3.72Å; L215-F413 HydrophobicContact CD1-CZ 3.3Å; L215-M538 HydrophobicContact CD2-SD 4.45Å; L215-Y541 HydrophobicContact CD1-CD1 4.11Å; L215-Y541 HydrophobicContact CD1-CD2 3.81Å; L215-Y541 HydrophobicContact CD1-CE1 4.24Å; L215-Y541 HydrophobicContact CD1-CE2 3.97Å; L215-Y541 HydrophobicContact CD1-CG 3.88Å; L215-Y541 HydrophobicContact CD2-CD1 3.95Å; L215-Y541 HydrophobicContact CD2-CE1 3.57Å
216	F	90.2	Very high	82.1	Confident	5 Å²	5	37 Å²	37	2%	0.022	19%	0.186	C	C	.	.	H	α-helix	trans	-108.1	13.1	-171.9	-58.8	-79.2	0	0	0	113.3	I212 G218 L247 P250 H406 T409 T410 F413	I212-F216 HydrophobicContact CD1-CD2 4.16Å; I212-F216 HydrophobicContact CD1-CE2 4.16Å; I212-F216 HydrophobicContact CG2-CB 4.43Å; I212-F216 HydrophobicContact CG2-CD2 4.03Å; I212-F216 WeakPolarHBondContact O-CB 3.47Å; I212-F216 PolarHBondContact O-N 3.27Å; F216-G218 PolarHBondContact O-N 2.77Å; F216-G218 VanDerWaalsContact O-N 3.09Å; F216-L247 HydrophobicContact CD1-CD1 4.07Å; F216-L247 WeakPolarHBondContact CE1-O 3.35Å; F216-P250 HydrophobicContact CD1-CG 4.49Å; F216-P250 HydrophobicContact CE1-CB 4.03Å; F216-P250 HydrophobicContact CE1-CG 4.17Å; F216-P250 HydrophobicContact CZ-CB 3.94Å; F216-H406 PolarHBondContact O-NE2 3.46Å; F216-T409 HydrophobicContact CD1-CG2 4.03Å; F216-T409 HydrophobicContact CE1-CG2 3.48Å; F216-T409 VanDerWaalsContact CE1-CG2 3.48Å; F216-T409 HydrophobicContact CZ-CG2 4.29Å; F216-T410 HydrophobicContact CB-CG2 4Å; F216-T410 HydrophobicContact CD1-CG2 4.37Å; F216-T410 HydrophobicContact CD2-CG2 3.91Å; F216-T410 HydrophobicContact CG-CG2 3.82Å; F216-F413 HydrophobicContact CE2-CB 3.92Å; F216-F413 AromaticContact CE2-CD1 3.72Å; F216-F413 HydrophobicContact CE2-CD1 3.72Å; F216-F413 AromaticContact CE2-CD2 3.76Å; F216-F413 HydrophobicContact CE2-CD2 3.76Å; F216-F413 HydrophobicContact CE2-CE1 4.12Å; F216-F413 HydrophobicContact CE2-CE2 4.19Å; F216-F413 AromaticContact CE2-CG 3.51Å; F216-F413 HydrophobicContact CE2-CG 3.51Å; F216-F413 HydrophobicContact CE2-CZ 4.37Å; F216-F413 HydrophobicContact CZ-CB 3.73Å; F216-F413 HydrophobicContact CZ-CD1 4.29Å; F216-F413 AromaticContact CZ-CD2 3.57Å; F216-F413 HydrophobicContact CZ-CD2 3.57Å; F216-F413 HydrophobicContact CZ-CE2 4.26Å; F216-F413 AromaticContact CZ-CG 3.6Å; F216-F413 HydrophobicContact CZ-CG 3.6Å
217	K	82.4	Confident	81.2	Confident	132 Å²	132	40.6 Å²	40.6	57%	0.574	20%	0.197	S	C	*	.	S	Bend	trans	54.6	27.3	179.8	-63	179.5	-177.1	177	0	113.4	I213 L236	I213-K217 CarbonylContact O-C 3.5Å; I213-K217 WeakPolarHBondContact O-CA 3.27Å; I213-K217 PolarHBondContact O-N 3.47Å; K217-L236 HydrophobicContact CB-CD1 3.56Å; K217-L236 WeakPolarHBondContact O-CD2 3.49Å
218	G	79.6	Confident	80.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.			trans	144.1	168.8	176.4	0	0	0	0	0	112.8	I213 F216 H406	I213-G218 PolarHBondContact O-N 2.94Å; F216-G218 PolarHBondContact O-N 2.77Å; F216-G218 VanDerWaalsContact O-N 3.09Å; G218-H406 PolarHBondContact O-CE1 3.31Å; G218-H406 PolarHBondContact O-NE2 2.66Å
219	W	82.9	Confident	79.1	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.22	C	C	.	.			trans	-131.5	94.8	175.5	-168.8	10.8	0	0	0	111.8	V208 I209 I212 L221 T222 Y225 L309 L414	V208-W219 HydrophobicContact CG1-CZ3 4.4Å; I209-W219 HydrophobicContact CB-CE3 4.36Å; I209-W219 HydrophobicContact CB-CZ3 4.44Å; I209-W219 HydrophobicContact CG1-CE3 3.74Å; I209-W219 HydrophobicContact CG1-CZ3 3.54Å; I212-W219 HydrophobicContact CB-CB 4.21Å; I212-W219 HydrophobicContact CB-CD2 4.23Å; I212-W219 HydrophobicContact CB-CE3 4.21Å; I212-W219 HydrophobicContact CB-CG 4.25Å; I212-W219 HydrophobicContact CG1-CD2 4.28Å; I212-W219 HydrophobicContact CG1-CE3 4.18Å; I212-W219 HydrophobicContact CG2-CB 3.52Å; I212-W219 HydrophobicContact CG2-CD2 3.98Å; I212-W219 HydrophobicContact CG2-CE3 4.45Å; I212-W219 HydrophobicContact CG2-CG 3.55Å; W219-L221 PolarHBondContact O-N 3.18Å; W219-T222 HydrophobicContact CD2-CG2 3.58Å; W219-T222 HydrophobicContact CE3-CG2 3.5Å; W219-T222 HydrophobicContact CG-CG2 4.25Å; W219-T222 HydrophobicContact CH2-CG2 3.89Å; W219-T222 HydrophobicContact CZ2-CG2 3.99Å; W219-T222 HydrophobicContact CZ3-CG2 3.68Å; W219-T222 PolarHBondContact O-N 2.88Å; W219-T222 PolarHBondContact O-OG1 3.49Å; W219-Y225 WeakPolarHBondContact O-CB 3.05Å; W219-L309 HydrophobicContact CH2-CB 3.77Å; W219-L309 HydrophobicContact CH2-CD1 3.71Å; W219-L309 HydrophobicContact CH2-CG 4.4Å; W219-L309 HydrophobicContact CZ2-CD1 4.26Å; W219-L414 HydrophobicContact CH2-CD1 4.17Å; W219-L414 HydrophobicContact CZ2-CD1 3.65Å
220	Y	81.2	Confident	78	Confident	36 Å²	36	49.9 Å²	49.9	14%	0.141	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	-170.3	-171.4	-115.5	0	0	0	114	T222 Y225 K315 I318 K403	Y220-T222 PolarHBondContact O-N 3.32Å; Y220-Y225 AromaticContact CD2-CD1 3.8Å; Y220-Y225 HydrophobicContact CD2-CD1 3.8Å; Y220-Y225 AromaticContact CD2-CE1 3.68Å; Y220-Y225 HydrophobicContact CD2-CE1 3.68Å; Y220-Y225 HydrophobicContact CD2-CG 4.32Å; Y220-Y225 HydrophobicContact CE2-CD1 4.31Å; Y220-Y225 HydrophobicContact CE2-CE1 4.08Å; Y220-K315 PolarHBondContact O-NZ 2.7Å; Y220-I318 HydrophobicContact CD1-CD1 3.73Å; Y220-I318 HydrophobicContact CE1-CD1 3.2Å; Y220-I318 HydrophobicContact CE1-CG1 4.2Å; Y220-K403 HydrophobicContact CD1-CB 3.71Å; Y220-K403 HydrophobicContact CD1-CD 4.36Å; Y220-K403 HydrophobicContact CD1-CG 3.83Å; Y220-K403 HydrophobicContact CD2-CG 4.29Å; Y220-K403 HydrophobicContact CE1-CB 3.55Å; Y220-K403 HydrophobicContact CE1-CD 3.51Å; Y220-K403 HydrophobicContact CE1-CG 3.48Å; Y220-K403 VanDerWaalsContact CE1-CG 3.48Å; Y220-K403 HydrophobicContact CE2-CD 4.02Å; Y220-K403 HydrophobicContact CE2-CG 4.02Å; Y220-K403 HydrophobicContact CG-CB 4.46Å; Y220-K403 HydrophobicContact CG-CG 4.23Å; Y220-K403 VanDerWaalsContact CZ-CE 3.4Å; Y220-K403 VanDerWaalsContact OH-CD 3.28Å; Y220-K403 WeakPolarHBondContact OH-CD 3.5Å; Y220-K403 WeakPolarHBondContact OH-CE 3.48Å; Y220-K403 PolarHBondContact OH-NZ 3.32Å
221	L	81.3	Confident	76.8	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.2	-177.7	-62.8	175	0	0	0	114.3	W219 L306 L312 I318 A407 I411	W219-L221 PolarHBondContact O-N 3.18Å; L221-L306 HydrophobicContact CD1-CD1 4.02Å; L221-L312 HydrophobicContact CB-CD2 4.04Å; L221-I318 HydrophobicContact CD2-CB 4.35Å; L221-I318 HydrophobicContact CD2-CG2 3.82Å; L221-A407 HydrophobicContact CD1-CB 4.24Å; L221-A407 HydrophobicContact CD2-CB 4.04Å; L221-A407 HydrophobicContact CG-CB 4.16Å; L221-I411 HydrophobicContact CD1-CD1 4.01Å; L221-I411 HydrophobicContact CD1-CG1 4.05Å
222	T	75.9	Confident	75.2	Confident	5 Å²	5	52 Å²	52	3%	0.031	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-113	165.5	-175.2	69.1	0	0	0	0	113	W219 Y220 A224 Y225 L312	W219-T222 HydrophobicContact CD2-CG2 3.58Å; W219-T222 HydrophobicContact CE3-CG2 3.5Å; W219-T222 HydrophobicContact CG-CG2 4.25Å; W219-T222 HydrophobicContact CH2-CG2 3.89Å; W219-T222 HydrophobicContact CZ2-CG2 3.99Å; W219-T222 HydrophobicContact CZ3-CG2 3.68Å; W219-T222 PolarHBondContact O-N 2.88Å; W219-T222 PolarHBondContact O-OG1 3.49Å; Y220-T222 PolarHBondContact O-N 3.32Å; T222-A224 PolarHBondContact O-N 2.78Å; T222-A224 WeakPolarHBondContact OG1-CB 3.29Å; T222-A224 PolarHBondContact OG1-N 3.41Å; T222-Y225 PolarHBondContact O-N 2.93Å; T222-L312 HydrophobicContact CG2-CD2 4.16Å
223	N	67.8	Low	73.9	Confident	74 Å²	74	55.1 Å²	55.1	40%	0.396	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-66.9	-15.5	172.2	-71.4	-19.2	0	0	0	112.8	Y225 D226	N223-Y225 PolarHBondContact O-N 3.47Å; N223-D226 WeakPolarHBondContact O-CB 3.35Å; N223-D226 PolarHBondContact O-N 3.36Å
224	A	66.8	Low	73	Confident	12 Å²	12	60.6 Å²	60.6	10%	0.099	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-62.6	-28.4	178.9	0	0	0	0	0	112	I209 I213 T222 D226 K227	I209-A224 HydrophobicContact CD1-CB 4.5Å; I209-A224 HydrophobicContact CG2-CB 3.32Å; I213-A224 HydrophobicContact CD1-CB 4.02Å; T222-A224 PolarHBondContact O-N 2.78Å; T222-A224 WeakPolarHBondContact OG1-CB 3.29Å; T222-A224 PolarHBondContact OG1-N 3.41Å; A224-D226 PolarHBondContact O-N 3.37Å; A224-K227 WeakPolarHBondContact O-CB 3.36Å; A224-K227 PolarHBondContact O-N 3.49Å
225	Y	65.1	Low	71.7	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.012	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-57.4	-34.6	171.4	-169.4	-110.8	0	0	0	113.6	W219 Y220 T222 N223 K227 I228 K233 L236 L237	W219-Y225 WeakPolarHBondContact O-CB 3.05Å; Y220-Y225 AromaticContact CD2-CD1 3.8Å; Y220-Y225 HydrophobicContact CD2-CD1 3.8Å; Y220-Y225 AromaticContact CD2-CE1 3.68Å; Y220-Y225 HydrophobicContact CD2-CE1 3.68Å; Y220-Y225 HydrophobicContact CD2-CG 4.32Å; Y220-Y225 HydrophobicContact CE2-CD1 4.31Å; Y220-Y225 HydrophobicContact CE2-CE1 4.08Å; T222-Y225 PolarHBondContact O-N 2.93Å; N223-Y225 PolarHBondContact O-N 3.47Å; Y225-K227 PolarHBondContact O-N 2.88Å; Y225-I228 HydrophobicContact CD2-CD1 4.1Å; Y225-I228 PolarHBondContact O-N 3.36Å; Y225-K233 HydrophobicContact CD1-CD 4.31Å; Y225-K233 HydrophobicContact CD1-CG 4.47Å; Y225-K233 HydrophobicContact CE1-CD 3.88Å; Y225-K233 HydrophobicContact CE1-CG 3.64Å; Y225-K233 PolarHBondContact OH-O 3.21Å; Y225-L236 HydrophobicContact CE2-CD2 3.62Å; Y225-L237 HydrophobicContact CE1-CD1 4.42Å; Y225-L237 WeakPolarHBondContact OH-CD1 3.33Å; Y225-L237 WeakPolarHBondContact OH-CG 3.01Å
226	D	65.5	Low	70.4	Confident	75 Å²	75	59.8 Å²	59.8	40%	0.401	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-76	-13.2	179.3	-68.7	-31.5	0	0	0	112.1	N223 A224 K233 K313	N223-D226 WeakPolarHBondContact O-CB 3.35Å; N223-D226 PolarHBondContact O-N 3.36Å; A224-D226 PolarHBondContact O-N 3.37Å; D226-K233 IonicContact OD1-NZ 2.72Å; D226-K233 PolarHBondContact OD1-NZ 3.03Å; D226-K313 IonicContact OD2-NZ 3.58Å; D226-K313 PolarHBondContact OD2-NZ 3.02Å
227	K	65.7	Low	69.4	Low	177 Å²	177	60.9 Å²	60.9	77%	0.77	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-87.9	-12.6	175	-59.6	-177.4	179.1	178.8	0	113.5	A224 Y225	A224-K227 WeakPolarHBondContact O-CB 3.36Å; A224-K227 PolarHBondContact O-N 3.49Å; Y225-K227 PolarHBondContact O-N 2.88Å
228	I	66.4	Low	68.8	Low	20 Å²	20	56.9 Å²	56.9	10%	0.103	28%	0.283	C	S	.	.	S	Bend	trans	-74.5	139.9	179	-59.7	174.9	0	0	0	108.9	I213 Y225 F230 V232	I213-I228 HydrophobicContact CD1-CD1 4.38Å; I213-I228 HydrophobicContact CD1-CG1 4.44Å; I213-I228 HydrophobicContact CG1-CD1 4.14Å; I213-I228 HydrophobicContact CG2-CD1 4.13Å; I213-I228 HydrophobicContact CG2-CG1 4.45Å; Y225-I228 HydrophobicContact CD2-CD1 4.1Å; Y225-I228 PolarHBondContact O-N 3.36Å; I228-F230 PolarHBondContact O-N 2.8Å; I228-V232 HydrophobicContact CG2-CB 3.63Å; I228-V232 HydrophobicContact CG2-CG1 3.56Å; I228-V232 HydrophobicContact CG2-CG2 4.43Å
229	P	66.4	Low	68.2	Low	87 Å²	87	61.5 Å²	61.5	57%	0.565	31%	0.307	S	S	*	.			trans	-47.6	135.4	177.9	-29	34.8	0	0	0	112.5	T231 V232 K233	P229-T231 PolarHBondContact O-N 2.93Å; P229-V232 HydrophobicContact CB-CG2 4.43Å; P229-V232 PolarHBondContact O-N 2.95Å; P229-K233 PolarHBondContact O-N 3.06Å; P229-K233 VanDerWaalsContact O-N 3.11Å
230	F	63.9	Low	67.4	Low	149 Å²	149	69.8 Å²	69.8	65%	0.654	35%	0.346	S	S	*	.	H	α-helix	trans	-52.4	-35.5	-174.6	-179.8	-99.5	0	0	0	113.2	I228 K233 R234	I228-F230 PolarHBondContact O-N 2.8Å; F230-K233 WeakPolarHBondContact O-CB 3.29Å; F230-K233 PolarHBondContact O-N 2.97Å; F230-R234 PolarHBondContact O-N 3.31Å
231	T	60.4	Low	67.1	Low	94 Å²	94	71.6 Å²	71.6	58%	0.577	36%	0.361	S	S	*	.	H	α-helix	trans	-62.1	-43.3	176.7	-45.9	0	0	0	0	112.4	P229 R234 N235	P229-T231 PolarHBondContact O-N 2.93Å; T231-R234 PolarHBondContact O-N 3.08Å; T231-N235 WeakPolarHBondContact O-CB 3.22Å; T231-N235 PolarHBondContact O-N 3.18Å; T231-N235 PolarHBondContact O-OD1 3.24Å
232	V	58.9	Low	67.3	Low	60 Å²	60	72.1 Å²	72.1	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-68.7	-40.6	177.4	176.6	0	0	0	0	110.1	I228 P229 R234 N235 L236	I228-V232 HydrophobicContact CG2-CB 3.63Å; I228-V232 HydrophobicContact CG2-CG1 3.56Å; I228-V232 HydrophobicContact CG2-CG2 4.43Å; P229-V232 HydrophobicContact CB-CG2 4.43Å; P229-V232 PolarHBondContact O-N 2.95Å; V232-R234 VanDerWaalsContact C-N 3.3Å; V232-R234 PolarHBondContact O-N 3.14Å; V232-N235 PolarHBondContact O-N 2.03Å; V232-L236 WeakPolarHBondContact O-CB 3.34Å; V232-L236 PolarHBondContact O-N 2.86Å
233	K	64.9	Low	67.9	Low	64 Å²	64	74.1 Å²	74.1	28%	0.278	38%	0.377	S	S	.	.	H	α-helix	trans	-57.3	-42.8	173.7	-176.5	170.1	-179.8	173.1	0	112	Y225 D226 P229 F230	Y225-K233 HydrophobicContact CD1-CD 4.31Å; Y225-K233 HydrophobicContact CD1-CG 4.47Å; Y225-K233 HydrophobicContact CE1-CD 3.88Å; Y225-K233 HydrophobicContact CE1-CG 3.64Å; Y225-K233 PolarHBondContact OH-O 3.21Å; D226-K233 IonicContact OD1-NZ 2.72Å; D226-K233 PolarHBondContact OD1-NZ 3.03Å; P229-K233 PolarHBondContact O-N 3.06Å; P229-K233 VanDerWaalsContact O-N 3.11Å; F230-K233 WeakPolarHBondContact O-CB 3.29Å; F230-K233 PolarHBondContact O-N 2.97Å
234	R	66.4	Low	69.1	Low	166 Å²	166	70.7 Å²	70.7	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-45.8	176	-165.1	-178.6	-155.7	145.4	4.2	111.4	F230 T231 V232 L236 L237 N238	F230-R234 PolarHBondContact O-N 3.31Å; T231-R234 PolarHBondContact O-N 3.08Å; V232-R234 VanDerWaalsContact C-N 3.3Å; V232-R234 PolarHBondContact O-N 3.14Å; R234-L236 VanDerWaalsContact C-N 3.35Å; R234-L236 PolarHBondContact O-N 3.08Å; R234-L237 CarbonylContact O-C 3.58Å; R234-L237 PolarHBondContact O-N 3.31Å; R234-N238 WeakPolarHBondContact O-CB 3.44Å; R234-N238 PolarHBondContact O-N 2.82Å
235	N	62.2	Low	70.5	Confident	74 Å²	74	70.5 Å²	70.5	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-31.6	-178.9	-66.5	-6.4	0	0	0	112.5	T231 V232 L237 T241	T231-N235 WeakPolarHBondContact O-CB 3.22Å; T231-N235 PolarHBondContact O-N 3.18Å; T231-N235 PolarHBondContact O-OD1 3.24Å; V232-N235 PolarHBondContact O-N 2.03Å; N235-L237 PolarHBondContact O-N 3.02Å; N235-T241 WeakPolarHBondContact CA-OG1 3.45Å; N235-T241 PolarHBondContact O-OG1 2.96Å
236	L	64.6	Low	71.7	Confident	18 Å²	18	73.6 Å²	73.6	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-69	-22.4	177.4	-161.4	72.7	0	0	0	112.5	K217 Y225 V232 R234 F242	K217-L236 HydrophobicContact CB-CD1 3.56Å; K217-L236 WeakPolarHBondContact O-CD2 3.49Å; Y225-L236 HydrophobicContact CE2-CD2 3.62Å; V232-L236 WeakPolarHBondContact O-CB 3.34Å; V232-L236 PolarHBondContact O-N 2.86Å; R234-L236 VanDerWaalsContact C-N 3.35Å; R234-L236 PolarHBondContact O-N 3.08Å; L236-F242 WeakPolarHBondContact O-CD2 3.29Å
237	L	68.4	Low	73.1	Confident	28 Å²	28	70.5 Å²	70.5	15%	0.147	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	14.7	-177.3	-59.9	176.4	0	0	0	112.3	Y225 R234 N235 R402 K403	Y225-L237 HydrophobicContact CE1-CD1 4.42Å; Y225-L237 WeakPolarHBondContact OH-CD1 3.33Å; Y225-L237 WeakPolarHBondContact OH-CG 3.01Å; R234-L237 CarbonylContact O-C 3.58Å; R234-L237 PolarHBondContact O-N 3.31Å; N235-L237 PolarHBondContact O-N 3.02Å; L237-R402 VanDerWaalsContact C-NH1 3.26Å; L237-R402 VanDerWaalsContact O-CZ 3.26Å; L237-R402 PolarHBondContact O-NH1 3.15Å; L237-R402 PolarHBondContact O-NH2 3.49Å; L237-K403 HydrophobicContact CD1-CG 4.26Å; L237-K403 HydrophobicContact CD2-CG 3.86Å
238	N	70.2	Confident	74.5	Confident	49 Å²	49	62.1 Å²	62.1	26%	0.262	33%	0.325	S	S	.	.			trans	-87.8	133	171.8	-179	9.8	0	0	0	108.7	R234 E240 T241 F242 R402	R234-N238 WeakPolarHBondContact O-CB 3.44Å; R234-N238 PolarHBondContact O-N 2.82Å; N238-E240 PolarHBondContact O-N 3.39Å; N238-E240 PolarHBondContact OD1-N 3.25Å; N238-T241 WeakPolarHBondContact CB-OG1 3.32Å; N238-T241 PolarHBondContact O-N 2.72Å; N238-T241 VanDerWaalsContact O-N 3.14Å; N238-F242 WeakPolarHBondContact O-CB 3.38Å; N238-F242 PolarHBondContact O-N 3.44Å; N238-R402 PolarHBondContact O-NH1 3.11Å
239	D	67.3	Low	75.9	Confident	97 Å²	97	63 Å²	63	52%	0.519	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.3	-175.2	-68.5	-66.4	0	0	0	110.9	T241 R402	D239-T241 VanDerWaalsContact C-N 3.34Å; D239-T241 PolarHBondContact O-N 2.04Å; D239-R402 IonicContact OD1-CZ 3.64Å; D239-R402 IonicContact OD1-NE 2.65Å; D239-R402 PolarHBondContact OD1-NE 3.06Å; D239-R402 IonicContact OD1-NH1 3.11Å; D239-R402 PolarHBondContact OD1-NH1 3.23Å; D239-R402 IonicContact OD1-NH2 2.83Å; D239-R402 PolarHBondContact OD1-NH2 2.76Å; D239-R402 IonicContact OD2-CZ 2.59Å; D239-R402 IonicContact OD2-NH1 3.76Å; D239-R402 IonicContact OD2-NH2 2.71Å; D239-R402 PolarHBondContact OD2-NH2 3.34Å
240	E	66.4	Low	77.3	Confident	174 Å²	174	59.4 Å²	59.4	81%	0.813	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.3	-179.4	-61.6	177.7	165.1	0	0	113.9	N238	N238-E240 PolarHBondContact O-N 3.39Å; N238-E240 PolarHBondContact OD1-N 3.25Å
241	T	75.4	Confident	78.8	Confident	74 Å²	74	52.4 Å²	52.4	45%	0.454	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-11.4	-171.5	52.6	0	0	0	0	114.1	N235 N238 D239 S243	N235-T241 WeakPolarHBondContact CA-OG1 3.45Å; N235-T241 PolarHBondContact O-OG1 2.96Å; N238-T241 WeakPolarHBondContact CB-OG1 3.32Å; N238-T241 PolarHBondContact O-N 2.72Å; N238-T241 VanDerWaalsContact O-N 3.14Å; D239-T241 VanDerWaalsContact C-N 3.34Å; D239-T241 PolarHBondContact O-N 2.04Å; T241-S243 PolarHBondContact O-N 3.44Å
242	F	84.4	Confident	80.6	Confident	15 Å²	15	48 Å²	48	7%	0.066	25%	0.249	C	C	.	.			trans	-80.4	106	175.8	-171	-102.6	0	0	0	110.6	L236 N238 L244 L247 M396 R402 H406	L236-F242 WeakPolarHBondContact O-CD2 3.29Å; N238-F242 WeakPolarHBondContact O-CB 3.38Å; N238-F242 PolarHBondContact O-N 3.44Å; F242-L244 HydrophobicContact CE1-CD2 4.2Å; F242-L247 HydrophobicContact CE1-CD2 4.43Å; F242-L247 HydrophobicContact CE2-CD2 4.45Å; F242-L247 HydrophobicContact CZ-CD2 3.75Å; F242-M396 HydrophobicContact CD1-CE 3.66Å; F242-M396 HydrophobicContact CD1-SD 3.42Å; F242-M396 WeakPolarHBondContact CD1-SD 3.41Å; F242-M396 HydrophobicContact CE1-CE 4.27Å; F242-M396 HydrophobicContact CE1-SD 3.44Å; F242-M396 WeakPolarHBondContact CE1-SD 3.44Å; F242-M396 WeakPolarHBondContact O-CE 3.25Å; F242-R402 HydrophobicContact CD1-CB 4.18Å; F242-R402 HydrophobicContact CD1-CG 3.81Å; F242-R402 HydrophobicContact CE1-CB 3.98Å; F242-R402 HydrophobicContact CE1-CG 3.91Å; F242-R402 HydrophobicContact CZ-CB 4.26Å; F242-H406 HydrophobicContact CZ-CB 4.47Å
243	S	89.7	Confident	82.3	Confident	47 Å²	47	45.5 Å²	45.5	33%	0.329	23%	0.234	S	C	.	.			trans	-106.9	124.2	178.9	167.4	0	0	0	0	110.6	T241 T245 S246 L247	T241-S243 PolarHBondContact O-N 3.44Å; S243-T245 VanDerWaalsContact C-N 3.31Å; S243-T245 PolarHBondContact OG-N 2.87Å; S243-S246 PolarHBondContact O-N 3.07Å; S243-S246 PolarHBondContact OG-N 3.08Å; S243-L247 PolarHBondContact O-N 3.39Å
244	L	93.1	Very high	83.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-36.3	172.4	-79.7	-179.8	0	0	0	112	F242 S246 L247 F248 L353 I354 H392 M396 L405	F242-L244 HydrophobicContact CE1-CD2 4.2Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 2.82Å; L244-L247 HydrophobicContact CD2-CD2 3.83Å; L244-L247 PolarHBondContact O-N 3.08Å; L244-F248 HydrophobicContact CB-CD2 4.5Å; L244-F248 HydrophobicContact CB-CE2 4.42Å; L244-F248 HydrophobicContact CD2-CE2 4.34Å; L244-F248 HydrophobicContact CD2-CZ 4.15Å; L244-F248 WeakPolarHBondContact O-CB 3.35Å; L244-F248 WeakPolarHBondContact O-CG 3.13Å; L244-F248 PolarHBondContact O-N 3.05Å; L244-L353 HydrophobicContact CD1-CB 4.2Å; L244-L353 HydrophobicContact CD1-CD1 3.9Å; L244-I354 HydrophobicContact CB-CD1 3.94Å; L244-H392 HydrophobicContact CD1-CB 4.19Å; L244-M396 HydrophobicContact CD1-CG 3.84Å; L244-M396 HydrophobicContact CD1-SD 3.93Å; L244-M396 HydrophobicContact CD2-SD 4.08Å; L244-M396 HydrophobicContact CG-CE 4.26Å; L244-M396 HydrophobicContact CG-CG 4.26Å; L244-M396 HydrophobicContact CG-SD 3.67Å; L244-L405 HydrophobicContact CD2-CB 4.49Å; L244-L405 HydrophobicContact CD2-CD1 4.23Å
245	T	94.6	Very high	85.1	Confident	8 Å²	8	37.5 Å²	37.5	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-48.9	172	-54.7	0	0	0	0	111.3	S243 L249 D355 V358 L359	S243-T245 VanDerWaalsContact C-N 3.31Å; S243-T245 PolarHBondContact OG-N 2.87Å; T245-L249 WeakPolarHBondContact O-CB 3.29Å; T245-L249 PolarHBondContact O-N 3.31Å; T245-L249 VanDerWaalsContact O-N 3.12Å; T245-D355 PolarHBondContact OG1-N 3.09Å; T245-V358 HydrophobicContact CG2-CG1 4.39Å; T245-L359 HydrophobicContact CG2-CB 4.04Å; T245-L359 HydrophobicContact CG2-CD1 4.02Å
246	S	92	Very high	86.7	Confident	68 Å²	68	34.2 Å²	34.2	48%	0.476	19%	0.194	S	C	.	.	H	α-helix	trans	-68.6	-36.4	179	-64.9	0	0	0	0	113	S243 L244 P250	S243-S246 PolarHBondContact O-N 3.07Å; S243-S246 PolarHBondContact OG-N 3.08Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 2.82Å; S246-P250 WeakPolarHBondContact O-CD 3.48Å
247	L	93.3	Very high	88.2	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-40.8	178.7	-179.6	70.3	0	0	0	111.8	F216 F242 S243 L244 T409	F216-L247 HydrophobicContact CD1-CD1 4.07Å; F216-L247 WeakPolarHBondContact CE1-O 3.35Å; F242-L247 HydrophobicContact CE1-CD2 4.43Å; F242-L247 HydrophobicContact CE2-CD2 4.45Å; F242-L247 HydrophobicContact CZ-CD2 3.75Å; S243-L247 PolarHBondContact O-N 3.39Å; L244-L247 HydrophobicContact CD2-CD2 3.83Å; L244-L247 PolarHBondContact O-N 3.08Å; L247-T409 HydrophobicContact CD1-CG2 4.49Å; L247-T409 WeakPolarHBondContact CD2-OG1 3.43Å; L247-T409 HydrophobicContact CG-CG2 4.13Å
248	F	95.9	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-82.4	-24.1	-175.7	-74.9	-20.8	0	0	0	113.8	L244 L251 L252 T258 L260 F261 I354 H392 T409	L244-F248 HydrophobicContact CB-CD2 4.5Å; L244-F248 HydrophobicContact CB-CE2 4.42Å; L244-F248 HydrophobicContact CD2-CE2 4.34Å; L244-F248 HydrophobicContact CD2-CZ 4.15Å; L244-F248 WeakPolarHBondContact O-CB 3.35Å; L244-F248 WeakPolarHBondContact O-CG 3.13Å; L244-F248 PolarHBondContact O-N 3.05Å; F248-L251 PolarHBondContact O-N 2.67Å; F248-L251 VanDerWaalsContact O-N 3.11Å; F248-L252 WeakPolarHBondContact O-CB 3.37Å; F248-L252 PolarHBondContact O-N 3.39Å; F248-T258 HydrophobicContact CB-CG2 3.69Å; F248-T258 HydrophobicContact CD1-CG2 4.27Å; F248-T258 HydrophobicContact CD2-CG2 4.22Å; F248-T258 HydrophobicContact CG-CG2 3.83Å; F248-L260 HydrophobicContact CD2-CB 4.47Å; F248-L260 HydrophobicContact CE2-CB 3.58Å; F248-L260 HydrophobicContact CE2-CD2 4Å; F248-L260 HydrophobicContact CE2-CG 4.33Å; F248-L260 HydrophobicContact CZ-CB 4.01Å; F248-F261 HydrophobicContact CD2-CE1 4.28Å; F248-I354 HydrophobicContact CD2-CD1 3.98Å; F248-I354 HydrophobicContact CE2-CD1 4.26Å; F248-H392 AromaticContact CZ-CD2 3.98Å; F248-T409 HydrophobicContact CD1-CG2 4.07Å; F248-T409 WeakPolarHBondContact CE1-OG1 3.39Å
249	L	95.5	Very high	90.7	Very high	40 Å²	40	30.6 Å²	30.6	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-52.8	-46	-175.9	-177.8	65.1	0	0	0	113.8	T245 L251 L252 L253 L359 I363	T245-L249 WeakPolarHBondContact O-CB 3.29Å; T245-L249 PolarHBondContact O-N 3.31Å; T245-L249 VanDerWaalsContact O-N 3.12Å; L249-L251 PolarHBondContact O-N 3.35Å; L249-L252 PolarHBondContact O-N 3.24Å; L249-L253 HydrophobicContact CD1-CD1 4.06Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 4.06Å; L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 2.77Å; L249-L359 HydrophobicContact CD1-CD1 4.32Å; L249-I363 HydrophobicContact CD1-CG1 4.47Å
250	P	95.9	Very high	92.1	Very high	11 Å²	11	26 Å²	26	7%	0.071	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-41.5	178.1	-21.8	32.8	0	0	0	113.3	L215 F216 S246 L253 Q254 Y541	L215-P250 HydrophobicContact CB-CB 4Å; L215-P250 HydrophobicContact CB-CG 4.18Å; L215-P250 HydrophobicContact CD1-CB 4.44Å; L215-P250 HydrophobicContact CD2-CB 4.36Å; L215-P250 WeakPolarHBondContact O-CG 3.09Å; F216-P250 HydrophobicContact CD1-CG 4.49Å; F216-P250 HydrophobicContact CE1-CB 4.03Å; F216-P250 HydrophobicContact CE1-CG 4.17Å; F216-P250 HydrophobicContact CZ-CB 3.94Å; S246-P250 WeakPolarHBondContact O-CD 3.48Å; P250-L253 PolarHBondContact O-N 3.27Å; P250-Q254 WeakPolarHBondContact O-CB 3.21Å; P250-Q254 PolarHBondContact O-N 2.88Å; P250-Y541 WeakPolarHBondContact CA-OH 3.42Å; P250-Y541 HydrophobicContact CB-CE2 4.49Å; P250-Y541 WeakPolarHBondContact O-CE2 3.27Å; P250-Y541 PolarHBondContact O-OH 3.2Å
251	L	96.5	Very high	93.6	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-68.7	-39.8	178.4	178.8	59.8	0	0	0	111.4	F248 L249 Q254 S255 S257 T409 F413 N416	F248-L251 PolarHBondContact O-N 2.67Å; F248-L251 VanDerWaalsContact O-N 3.11Å; L249-L251 PolarHBondContact O-N 3.35Å; L251-Q254 WeakPolarHBondContact O-CB 3.19Å; L251-Q254 PolarHBondContact O-N 3.4Å; L251-Q254 VanDerWaalsContact O-N 3.16Å; L251-S255 PolarHBondContact O-N 3.3Å; L251-S255 VanDerWaalsContact O-N 3.15Å; L251-S255 PolarHBondContact O-OG 3.49Å; L251-S257 WeakPolarHBondContact CG-O 3.4Å; L251-T409 HydrophobicContact CB-CG2 4.17Å; L251-T409 HydrophobicContact CD2-CG2 3.84Å; L251-F413 HydrophobicContact CD1-CB 4.11Å; L251-F413 HydrophobicContact CD1-CD2 4.41Å; L251-N416 WeakPolarHBondContact CD1-ND2 3.21Å
252	L	96.5	Very high	94.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-43.8	175.5	-172.2	69.8	0	0	0	111.3	F248 L249 Q254 G256 T258 F261 L263 L359 I363	F248-L252 WeakPolarHBondContact O-CB 3.37Å; F248-L252 PolarHBondContact O-N 3.39Å; L249-L252 PolarHBondContact O-N 3.24Å; L252-Q254 PolarHBondContact O-N 3.26Å; L252-G256 WeakPolarHBondContact O-CA 3.4Å; L252-G256 PolarHBondContact O-N 3.03Å; L252-T258 HydrophobicContact CB-CG2 4.06Å; L252-T258 HydrophobicContact CD1-CG2 4.12Å; L252-F261 HydrophobicContact CD1-CE2 3.94Å; L252-F261 HydrophobicContact CD1-CZ 4.45Å; L252-F261 HydrophobicContact CD2-CE2 4.04Å; L252-F261 HydrophobicContact CD2-CZ 4.13Å; L252-L263 HydrophobicContact CD1-CB 4.03Å; L252-L359 HydrophobicContact CD2-CD1 3.77Å; L252-L359 HydrophobicContact CD2-CD2 3.97Å; L252-L359 HydrophobicContact CD2-CG 4.09Å; L252-I363 HydrophobicContact CD2-CD1 3.63Å; L252-I363 HydrophobicContact CG-CD1 4.5Å
253	L	95.7	Very high	95.2	Very high	8 Å²	8	14.2 Å²	14.2	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-28.5	174	-74.5	172.5	0	0	0	112.1	L249 P250 K545 F548 L549	L249-L253 HydrophobicContact CD1-CD1 4.06Å; L249-L253 HydrophobicContact CD1-CG 4.13Å; L249-L253 HydrophobicContact CG-CD1 4.06Å; L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 2.77Å; P250-L253 PolarHBondContact O-N 3.27Å; L253-K545 HydrophobicContact CB-CG 4.23Å; L253-K545 HydrophobicContact CD1-CD 4.36Å; L253-K545 HydrophobicContact CD2-CG 4.45Å; L253-K545 VanDerWaalsContact O-CA 3.27Å; L253-K545 WeakPolarHBondContact O-CA 3.35Å; L253-F548 HydrophobicContact CD2-CD1 4.27Å; L253-F548 HydrophobicContact CD2-CE1 4.34Å; L253-F548 WeakPolarHBondContact O-CB 3.22Å; L253-L549 HydrophobicContact CD2-CD2 4.28Å
254	Q	95.8	Very high	95.5	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.047	11%	0.106	C	C	.	.	H	α-helix	trans	-71	-43.4	179	-167.5	-170	30.9	0	0	113.3	P250 L251 L252 F413 N416 Y541 Q544	P250-Q254 WeakPolarHBondContact O-CB 3.21Å; P250-Q254 PolarHBondContact O-N 2.88Å; L251-Q254 WeakPolarHBondContact O-CB 3.19Å; L251-Q254 PolarHBondContact O-N 3.4Å; L251-Q254 VanDerWaalsContact O-N 3.16Å; L252-Q254 PolarHBondContact O-N 3.26Å; Q254-F413 HydrophobicContact CB-CD2 4.44Å; Q254-F413 HydrophobicContact CB-CE2 4.31Å; Q254-F413 VanDerWaalsContact CD-CE2 3.46Å; Q254-F413 HydrophobicContact CG-CD2 4.38Å; Q254-F413 HydrophobicContact CG-CE2 4.14Å; Q254-F413 PolarHBondContact NE2-O 3.36Å; Q254-N416 HydrophobicContact CG-CB 4.5Å; Q254-N416 PolarHBondContact OE1-ND2 3.36Å; Q254-N416 VanDerWaalsContact OE1-ND2 3.16Å; Q254-Y541 HydrophobicContact CB-CE2 4.29Å; Q254-Q544 HydrophobicContact CG-CB 3.95Å; Q254-Q544 HydrophobicContact CG-CG 4.46Å
255	S	94	Very high	95.4	Very high	52 Å²	52	19 Å²	19	36%	0.364	11%	0.108	S	C	.	.	H	α-helix	trans	-138.4	0	-167.8	65.8	0	0	0	0	115.4	L251 S257 N416	L251-S255 PolarHBondContact O-N 3.3Å; L251-S255 VanDerWaalsContact O-N 3.15Å; L251-S255 PolarHBondContact O-OG 3.49Å; S255-S257 PolarHBondContact O-N 3.1Å; S255-S257 PolarHBondContact OG-O 3.21Å; S255-N416 WeakPolarHBondContact CB-ND2 3.36Å; S255-N416 PolarHBondContact OG-ND2 2.81Å; S255-N416 VanDerWaalsContact OG-ND2 3.11Å
256	G	95.9	Very high	95.1	Very high	5 Å²	5	20.6 Å²	20.6	5%	0.052	12%	0.118	C	C	.	.	S	Bend	trans	67.8	12.4	-172.2	0	0	0	0	0	114.3	L252 S262 L263	L252-G256 WeakPolarHBondContact O-CA 3.4Å; L252-G256 PolarHBondContact O-N 3.03Å; G256-S262 CarbonylContact O-C 3.57Å; G256-S262 WeakPolarHBondContact O-CA 3.3Å; G256-L263 PolarHBondContact O-N 3.49Å
257	S	96.8	Very high	94.6	Very high	16 Å²	16	19.4 Å²	19.4	11%	0.112	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-145.5	141.3	-175.9	-170.6	0	0	0	0	112.2	L251 S255 S262 S279	L251-S257 WeakPolarHBondContact CG-O 3.4Å; S255-S257 PolarHBondContact O-N 3.1Å; S255-S257 PolarHBondContact OG-O 3.21Å; S257-S262 WeakPolarHBondContact CB-OG 3.36Å; S257-S262 PolarHBondContact OG-OG 3.24Å; S257-S279 WeakPolarHBondContact OG-CB 3.5Å; S257-S279 PolarHBondContact OG-N 3.13Å
258	T	96.7	Very high	93.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.143	C	C	.	.			trans	-119	-176.6	173.6	70	0	0	0	0	108.8	F248 L252 L260 F261 G278 S279	F248-T258 HydrophobicContact CB-CG2 3.69Å; F248-T258 HydrophobicContact CD1-CG2 4.27Å; F248-T258 HydrophobicContact CD2-CG2 4.22Å; F248-T258 HydrophobicContact CG-CG2 3.83Å; L252-T258 HydrophobicContact CB-CG2 4.06Å; L252-T258 HydrophobicContact CD1-CG2 4.12Å; T258-L260 VanDerWaalsContact C-N 3.26Å; T258-L260 PolarHBondContact O-N 3.19Å; T258-L260 PolarHBondContact OG1-N 3.01Å; T258-L260 VanDerWaalsContact OG1-N 3.17Å; T258-F261 HydrophobicContact CG2-CE1 4.45Å; T258-F261 HydrophobicContact CG2-CZ 4.46Å; T258-F261 PolarHBondContact N-O 3.43Å; T258-F261 PolarHBondContact OG1-N 2.87Å; T258-F261 PolarHBondContact OG1-O 2.97Å; T258-G278 CarbonylContact O-C 3.54Å; T258-G278 VanDerWaalsContact O-C 3.31Å; T258-G278 WeakPolarHBondContact O-CA 3.24Å; T258-S279 PolarHBondContact O-N 2.79Å
259	T	94.4	Very high	92.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	17%	0.174	C	C	.	.	S	Bend	trans	-79.3	-9.2	172.7	56.2	0	0	0	0	113.6	F283 M408 S412	T259-F283 HydrophobicContact CG2-CE2 4.31Å; T259-M408 HydrophobicContact CG2-CE 3.68Å; T259-M408 HydrophobicContact CG2-CG 4.03Å; T259-M408 HydrophobicContact CG2-SD 4.08Å; T259-S412 WeakPolarHBondContact CG2-OG 3.22Å
260	L	96.6	Very high	92	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-98.5	-54.3	179.6	-178.6	86	0	0	0	110.7	F248 T258 G278 I354 V388 C389 H392	F248-L260 HydrophobicContact CD2-CB 4.47Å; F248-L260 HydrophobicContact CE2-CB 3.58Å; F248-L260 HydrophobicContact CE2-CD2 4Å; F248-L260 HydrophobicContact CE2-CG 4.33Å; F248-L260 HydrophobicContact CZ-CB 4.01Å; T258-L260 VanDerWaalsContact C-N 3.26Å; T258-L260 PolarHBondContact O-N 3.19Å; T258-L260 PolarHBondContact OG1-N 3.01Å; T258-L260 VanDerWaalsContact OG1-N 3.17Å; L260-G278 PolarHBondContact O-N 3.19Å; L260-I354 HydrophobicContact CD2-CD1 3.73Å; L260-I354 HydrophobicContact CD2-CG1 3.49Å; L260-I354 VanDerWaalsContact CD2-CG1 3.49Å; L260-V388 HydrophobicContact CD1-CG1 4.03Å; L260-C389 HydrophobicContact CD1-CB 4.26Å; L260-H392 HydrophobicContact CD1-CB 4.05Å; L260-H392 WeakPolarHBondContact CD1-ND1 3.3Å
261	F	97.2	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.2	-176.7	69.3	-83.4	0	0	0	112	F248 L252 T258 L263 I275 S276 G278 I354 W356 L359 L385	F248-F261 HydrophobicContact CD2-CE1 4.28Å; L252-F261 HydrophobicContact CD1-CE2 3.94Å; L252-F261 HydrophobicContact CD1-CZ 4.45Å; L252-F261 HydrophobicContact CD2-CE2 4.04Å; L252-F261 HydrophobicContact CD2-CZ 4.13Å; T258-F261 HydrophobicContact CG2-CE1 4.45Å; T258-F261 HydrophobicContact CG2-CZ 4.46Å; T258-F261 PolarHBondContact N-O 3.43Å; T258-F261 PolarHBondContact OG1-N 2.87Å; T258-F261 PolarHBondContact OG1-O 2.97Å; F261-L263 HydrophobicContact CE2-CB 4.4Å; F261-I275 HydrophobicContact CB-CG2 4.16Å; F261-I275 HydrophobicContact CD2-CD1 4.47Å; F261-I275 HydrophobicContact CD2-CG2 4.46Å; F261-S276 CarbonylContact C-O 3.52Å; F261-S276 VanDerWaalsContact CA-O 3.23Å; F261-S276 WeakPolarHBondContact CA-O 3.12Å; F261-S276 WeakPolarHBondContact CB-O 3.32Å; F261-G278 VanDerWaalsContact C-CA 3.5Å; F261-I354 HydrophobicContact CE1-CD1 4.26Å; F261-I354 HydrophobicContact CE1-CG1 4.14Å; F261-I354 HydrophobicContact CE1-CG2 4.47Å; F261-W356 HydrophobicContact CD1-CH2 4.02Å; F261-W356 HydrophobicContact CD2-CH2 4.01Å; F261-W356 HydrophobicContact CD2-CZ3 4.05Å; F261-W356 HydrophobicContact CE1-CH2 4.22Å; F261-W356 HydrophobicContact CE1-CZ3 4.46Å; F261-W356 HydrophobicContact CE2-CH2 4.22Å; F261-W356 AromaticContact CE2-CZ3 3.9Å; F261-W356 HydrophobicContact CE2-CZ3 3.9Å; F261-W356 AromaticContact CG-CH2 3.93Å; F261-W356 HydrophobicContact CG-CH2 3.93Å; F261-W356 HydrophobicContact CG-CZ3 4.41Å; F261-W356 HydrophobicContact CZ-CH2 4.33Å; F261-W356 HydrophobicContact CZ-CZ3 4.12Å; F261-L359 HydrophobicContact CE2-CD2 3.83Å; F261-L359 HydrophobicContact CZ-CD2 3.49Å; F261-L359 VanDerWaalsContact CZ-CD2 3.49Å; F261-L385 HydrophobicContact CB-CD1 4.11Å
262	S	97.4	Very high	91.4	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.2	167.9	-52.1	0	0	0	0	109.9	G256 S257 I275 S276 L277	G256-S262 CarbonylContact O-C 3.57Å; G256-S262 WeakPolarHBondContact O-CA 3.3Å; S257-S262 WeakPolarHBondContact CB-OG 3.36Å; S257-S262 PolarHBondContact OG-OG 3.24Å; S262-I275 WeakPolarHBondContact O-CA 3.21Å; S262-S276 PolarHBondContact N-O 2.99Å; S262-S276 PolarHBondContact O-N 3.17Å; S262-L277 PolarHBondContact OG-O 2.82Å
263	L	96.6	Very high	91.3	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.1	178.4	-173.5	152.4	0	0	0	109.8	L252 G256 F261 I273 D274 I275 F360 I363 F548 I552	L252-L263 HydrophobicContact CD1-CB 4.03Å; G256-L263 PolarHBondContact O-N 3.49Å; F261-L263 HydrophobicContact CE2-CB 4.4Å; L263-I273 HydrophobicContact CD1-CG2 4.19Å; L263-I273 HydrophobicContact CG-CG2 4.2Å; L263-D274 WeakPolarHBondContact CA-O 3.26Å; L263-I275 HydrophobicContact CB-CD1 4.14Å; L263-I275 HydrophobicContact CD1-CD1 3.85Å; L263-I275 HydrophobicContact CG-CD1 3.93Å; L263-F360 HydrophobicContact CD1-CD1 4.02Å; L263-F360 HydrophobicContact CD1-CE1 3.62Å; L263-I363 HydrophobicContact CD1-CD1 3.91Å; L263-F548 HydrophobicContact CD2-CZ 4.14Å; L263-I552 HydrophobicContact CD2-CD1 4.3Å
264	K	94.4	Very high	91.3	Very high	137 Å²	137	35.3 Å²	35.3	60%	0.596	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	163.8	169.4	-66.5	-178	-179	175.7	0	109.8	D274	K264-D274 PolarHBondContact N-O 3.28Å; K264-D274 PolarHBondContact O-N 2.76Å
265	L	92.1	Very high	91.4	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.9	168	-162.2	80	0	0	0	108.5	P271 S272 I273 F364 M375 I552 S555 L556	L265-P271 HydrophobicContact CD2-CB 4.32Å; L265-S272 VanDerWaalsContact CD1-O 3.26Å; L265-S272 WeakPolarHBondContact CD1-O 3.23Å; L265-I273 HydrophobicContact CD1-CG1 3.83Å; L265-F364 HydrophobicContact CD1-CZ 4.49Å; L265-M375 HydrophobicContact CD1-SD 3.9Å; L265-I552 HydrophobicContact CB-CG2 3.97Å; L265-I552 HydrophobicContact CD2-CG2 3.85Å; L265-I552 HydrophobicContact CG-CG2 4.44Å; L265-S555 WeakPolarHBondContact O-CB 3.33Å; L265-S555 PolarHBondContact O-OG 3.13Å; L265-L556 HydrophobicContact CD2-CD1 4.32Å; L265-L556 HydrophobicContact CD2-CD2 3.27Å; L265-L556 HydrophobicContact CD2-CG 3.47Å; L265-L556 VanDerWaalsContact CD2-CG 3.47Å
266	V	87.2	Confident	91.5	Very high	41 Å²	41	34 Å²	34	25%	0.248	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.3	177.9	-63.7	0	0	0	0	109.2	P271 S272 D274 I378	V266-P271 WeakPolarHBondContact O-CA 3.36Å; V266-S272 PolarHBondContact N-O 3.01Å; V266-S272 PolarHBondContact O-N 3.2Å; V266-D274 HydrophobicContact CG1-CB 4.2Å; V266-D274 HydrophobicContact CG2-CB 4.26Å; V266-I378 HydrophobicContact CG2-CD1 4.26Å
267	N	82.5	Confident	91.5	Very high	44 Å²	44	35.1 Å²	35.1	24%	0.235	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	94.5	178.7	-173.4	-4.8	0	0	0	110	G269 N270 S555 T558	N267-G269 VanDerWaalsContact C-N 3.3Å; N267-G269 WeakPolarHBondContact OD1-CA 3.45Å; N267-G269 PolarHBondContact OD1-N 3.04Å; N267-G269 VanDerWaalsContact OD1-N 3.07Å; N267-N270 PolarHBondContact OD1-N 3.12Å; N267-S555 WeakPolarHBondContact CB-O 3.44Å; N267-S555 PolarHBondContact ND2-O 2.86Å; N267-T558 WeakPolarHBondContact ND2-CG2 3.38Å
268	D	73.4	Confident	91.4	Very high	155 Å²	155	35 Å²	35	83%	0.829	21%	0.206	S	C	*	.	S	Bend	trans	-99.3	41.3	173.9	-61.9	-29.1	0	0	0	110.3
269	G	74.7	Confident	91.3	Very high	63 Å²	63	36.6 Å²	36.6	65%	0.649	22%	0.217	S	C	*	.	S	Bend	trans	103.6	-23.8	-174.3	0	0	0	0	0	113.9	N267	N267-G269 VanDerWaalsContact C-N 3.3Å; N267-G269 WeakPolarHBondContact OD1-CA 3.45Å; N267-G269 PolarHBondContact OD1-N 3.04Å; N267-G269 VanDerWaalsContact OD1-N 3.07Å
270	N	81.6	Confident	91.2	Very high	123 Å²	123	37 Å²	37	66%	0.658	22%	0.219	S	C	*	.	S	Bend	trans	-136.2	128.3	167.7	-80	-37	0	0	0	110.1	N267 S272	N267-N270 PolarHBondContact OD1-N 3.12Å; N270-S272 PolarHBondContact O-N 3.13Å; N270-S272 PolarHBondContact O-OG 3.31Å
271	P	87	Confident	90.9	Very high	32 Å²	32	42.4 Å²	42.4	21%	0.208	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	128.8	177.5	-23.9	32.8	0	0	0	112.7	L265 V266 M375 L556	L265-P271 HydrophobicContact CD2-CB 4.32Å; V266-P271 WeakPolarHBondContact O-CA 3.36Å; P271-M375 HydrophobicContact CB-CE 4.13Å; P271-L556 HydrophobicContact CB-CD2 4.07Å; P271-L556 HydrophobicContact CG-CD2 4.42Å
272	S	92.2	Very high	90.6	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143	-179.7	-57.2	0	0	0	0	111	L265 V266 N270 E376	L265-S272 VanDerWaalsContact CD1-O 3.26Å; L265-S272 WeakPolarHBondContact CD1-O 3.23Å; V266-S272 PolarHBondContact N-O 3.01Å; V266-S272 PolarHBondContact O-N 3.2Å; N270-S272 PolarHBondContact O-N 3.13Å; N270-S272 PolarHBondContact O-OG 3.31Å; S272-E376 CarbonylContact C-O 3.57Å; S272-E376 WeakPolarHBondContact CA-O 3.1Å
273	I	95.4	Very high	90.3	Very high	3 Å²	3	42 Å²	42	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.6	175.6	-58.6	171.7	0	0	0	108.3	L263 L265 I275 F360 F364 M375 E376 I377 I378	L263-I273 HydrophobicContact CD1-CG2 4.19Å; L263-I273 HydrophobicContact CG-CG2 4.2Å; L265-I273 HydrophobicContact CD1-CG1 3.83Å; I273-I275 HydrophobicContact CG2-CD1 4.02Å; I273-I275 HydrophobicContact CG2-CG1 4.41Å; I273-F360 HydrophobicContact CD1-CD2 4.31Å; I273-F360 HydrophobicContact CD1-CE2 4.27Å; I273-F360 HydrophobicContact CD1-CZ 4.46Å; I273-F360 HydrophobicContact CG2-CE1 4.15Å; I273-F360 HydrophobicContact CG2-CZ 4.1Å; I273-F364 HydrophobicContact CD1-CE2 3.76Å; I273-F364 HydrophobicContact CD1-CZ 3.97Å; I273-F364 HydrophobicContact CG1-CE2 4.41Å; I273-F364 HydrophobicContact CG1-CZ 4.17Å; I273-M375 HydrophobicContact CD1-CB 4.29Å; I273-M375 HydrophobicContact CD1-SD 4.41Å; I273-M375 HydrophobicContact CG1-CB 4.23Å; I273-M375 HydrophobicContact CG1-SD 4.13Å; I273-E376 PolarHBondContact N-O 3.01Å; I273-I377 CarbonylContact O-C 3.07Å; I273-I377 WeakPolarHBondContact O-CA 3.49Å; I273-I378 PolarHBondContact O-N 3.09Å
274	D	95.9	Very high	89.9	Confident	22 Å²	22	44.7 Å²	44.7	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120	179.2	-169.9	-39.7	0	0	0	110.2	L263 K264 V266 H380	L263-D274 WeakPolarHBondContact CA-O 3.26Å; K264-D274 PolarHBondContact N-O 3.28Å; K264-D274 PolarHBondContact O-N 2.76Å; V266-D274 HydrophobicContact CG1-CB 4.2Å; V266-D274 HydrophobicContact CG2-CB 4.26Å; D274-H380 IonicContact OD1-CD2 3.11Å; D274-H380 PolarHBondContact OD1-CD2 2.93Å; D274-H380 IonicContact OD1-NE2 2.75Å; D274-H380 PolarHBondContact OD1-NE2 3.39Å; D274-H380 IonicContact OD2-CD2 2.81Å; D274-H380 IonicContact OD2-CE1 2.7Å; D274-H380 IonicContact OD2-NE2 3.49Å; D274-H380 PolarHBondContact OD2-NE2 3.14Å
275	I	97.4	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.2	173.6	-54.5	-59.5	0	0	0	109.3	F261 S262 L263 I273 L347 W356 F360 I377 I378 V379 H380 L385	F261-I275 HydrophobicContact CB-CG2 4.16Å; F261-I275 HydrophobicContact CD2-CD1 4.47Å; F261-I275 HydrophobicContact CD2-CG2 4.46Å; S262-I275 WeakPolarHBondContact O-CA 3.21Å; L263-I275 HydrophobicContact CB-CD1 4.14Å; L263-I275 HydrophobicContact CD1-CD1 3.85Å; L263-I275 HydrophobicContact CG-CD1 3.93Å; I273-I275 HydrophobicContact CG2-CD1 4.02Å; I273-I275 HydrophobicContact CG2-CG1 4.41Å; I275-L347 HydrophobicContact CG1-CD2 4.35Å; I275-W356 HydrophobicContact CD1-CZ3 3.9Å; I275-W356 HydrophobicContact CG1-CZ3 4.34Å; I275-W356 HydrophobicContact CG2-CH2 4.03Å; I275-W356 HydrophobicContact CG2-CZ3 4.44Å; I275-F360 HydrophobicContact CD1-CE1 4.33Å; I275-F360 HydrophobicContact CD1-CZ 4.42Å; I275-I377 HydrophobicContact CG1-CG2 4.18Å; I275-I378 PolarHBondContact N-O 3.47Å; I275-V379 HydrophobicContact CB-CG2 4.33Å; I275-V379 WeakPolarHBondContact O-CA 3.4Å; I275-H380 PolarHBondContact O-N 3.46Å; I275-L385 HydrophobicContact CG2-CD2 4.03Å
276	S	96.3	Very high	88.8	Confident	33 Å²	33	39.5 Å²	39.5	23%	0.231	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	176.8	176.2	50.4	0	0	0	0	110.9	F261 S262	F261-S276 CarbonylContact C-O 3.52Å; F261-S276 VanDerWaalsContact CA-O 3.23Å; F261-S276 WeakPolarHBondContact CA-O 3.12Å; F261-S276 WeakPolarHBondContact CB-O 3.32Å; S262-S276 PolarHBondContact N-O 2.99Å; S262-S276 PolarHBondContact O-N 3.17Å
277	L	95.9	Very high	87.9	Confident	29 Å²	29	39.3 Å²	39.3	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	147.9	177.6	-67	168.4	0	0	0	111.7	S262 I333 D381 L385 V388	S262-L277 PolarHBondContact OG-O 2.82Å; L277-I333 HydrophobicContact CD1-CB 4.46Å; L277-I333 HydrophobicContact CD1-CG1 4.19Å; L277-I333 HydrophobicContact CD1-CG2 3.67Å; L277-D381 HydrophobicContact CD1-CB 4.28Å; L277-L385 HydrophobicContact CD2-CB 4.27Å; L277-V388 HydrophobicContact CD2-CG2 4.4Å
278	G	95.1	Very high	86.7	Confident	14 Å²	14	41.7 Å²	41.7	14%	0.144	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-68.6	163.7	179.7	0	0	0	0	0	114	T258 L260 F261	T258-G278 CarbonylContact O-C 3.54Å; T258-G278 VanDerWaalsContact O-C 3.31Å; T258-G278 WeakPolarHBondContact O-CA 3.24Å; L260-G278 PolarHBondContact O-N 3.19Å; F261-G278 VanDerWaalsContact C-CA 3.5Å
279	S	94	Very high	85.6	Confident	34 Å²	34	36.7 Å²	36.7	24%	0.238	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-84	133.3	175.1	-179.1	0	0	0	0	111.9	S257 T258 E281	S257-S279 WeakPolarHBondContact OG-CB 3.5Å; S257-S279 PolarHBondContact OG-N 3.13Å; T258-S279 PolarHBondContact O-N 2.79Å; S279-E281 VanDerWaalsContact OG-CG 3.32Å; S279-E281 WeakPolarHBondContact OG-CG 3.43Å; S279-E281 PolarHBondContact OG-N 3.31Å
280	L	92.9	Very high	83.9	Confident	12 Å²	12	42 Å²	42	6%	0.063	25%	0.248	C	C	.	.			trans	-111.1	11.9	173.2	-59	-178.3	0	0	0	112.6	A282 F283 D284 I329 K330 I333 M408	L280-A282 VanDerWaalsContact C-N 3.26Å; L280-A282 PolarHBondContact O-N 3.42Å; L280-A282 VanDerWaalsContact O-N 3.15Å; L280-F283 PolarHBondContact O-N 3.13Å; L280-D284 PolarHBondContact O-N 3.3Å; L280-I329 HydrophobicContact CD1-CG2 3.98Å; L280-I329 HydrophobicContact CD2-CG2 4.09Å; L280-K330 HydrophobicContact CD1-CB 4.1Å; L280-I333 HydrophobicContact CD1-CD1 3.9Å; L280-M408 HydrophobicContact CD2-CE 3.9Å
281	E	90.5	Very high	81.9	Confident	113 Å²	113	39 Å²	39	53%	0.528	24%	0.237	S	C	.	.	H	α-helix	trans	-54.6	-38.2	-172.3	-74.6	175.6	-158.5	0	0	113.6	S279 F283 D284 A285 F415	S279-E281 VanDerWaalsContact OG-CG 3.32Å; S279-E281 WeakPolarHBondContact OG-CG 3.43Å; S279-E281 PolarHBondContact OG-N 3.31Å; E281-F283 PolarHBondContact O-N 3.4Å; E281-F283 VanDerWaalsContact O-N 3.17Å; E281-D284 PolarHBondContact O-N 3.17Å; E281-A285 VanDerWaalsContact O-CB 3.23Å; E281-A285 WeakPolarHBondContact O-CB 3.23Å; E281-A285 PolarHBondContact O-N 3.2Å; E281-F415 HydrophobicContact CB-CE1 3.6Å; E281-F415 HydrophobicContact CB-CZ 3.99Å
282	A	89.7	Confident	80	Confident	3 Å²	3	45 Å²	45	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-29.7	-179.8	0	0	0	0	0	113.5	L280 I411 F415 Y429	L280-A282 VanDerWaalsContact C-N 3.26Å; L280-A282 PolarHBondContact O-N 3.42Å; L280-A282 VanDerWaalsContact O-N 3.15Å; A282-I411 HydrophobicContact CB-CG2 4.48Å; A282-F415 HydrophobicContact CB-CB 3.49Å; A282-F415 VanDerWaalsContact CB-CB 3.49Å; A282-F415 HydrophobicContact CB-CD1 3.81Å; A282-F415 HydrophobicContact CB-CD2 4.09Å; A282-F415 HydrophobicContact CB-CG 3.53Å; A282-Y429 WeakPolarHBondContact O-CE1 3.39Å; A282-Y429 PolarHBondContact O-OH 2.95Å; A282-Y429 VanDerWaalsContact O-OH 3.08Å
283	F	91.5	Very high	77.8	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-99.3	-33.8	-179.3	-56.9	-75.6	0	0	0	111.5	T259 L280 E281 A285 V286 A287 L302 V322 L323 H326 M408 I411	T259-F283 HydrophobicContact CG2-CE2 4.31Å; L280-F283 PolarHBondContact O-N 3.13Å; E281-F283 PolarHBondContact O-N 3.4Å; E281-F283 VanDerWaalsContact O-N 3.17Å; F283-A285 VanDerWaalsContact C-N 3.25Å; F283-A285 PolarHBondContact O-N 3.25Å; F283-V286 WeakPolarHBondContact O-CG2 3.39Å; F283-V286 PolarHBondContact O-N 2.78Å; F283-A287 PolarHBondContact O-N 3.1Å; F283-L302 HydrophobicContact CD1-CD2 4.15Å; F283-L302 HydrophobicContact CE1-CD2 4.15Å; F283-V322 HydrophobicContact CD1-CG1 4.3Å; F283-V322 HydrophobicContact CE1-CG1 3.46Å; F283-V322 VanDerWaalsContact CE1-CG1 3.46Å; F283-V322 HydrophobicContact CZ-CG1 3.9Å; F283-L323 HydrophobicContact CD1-CD2 4.09Å; F283-H326 HydrophobicContact CB-CB 4.22Å; F283-H326 WeakPolarHBondContact CB-CD2 3.29Å; F283-H326 WeakPolarHBondContact CB-NE2 3.44Å; F283-H326 HydrophobicContact CG-CB 4.19Å; F283-H326 AromaticContact CG-CD2 3.88Å; F283-M408 HydrophobicContact CD2-CE 3.88Å; F283-M408 HydrophobicContact CE1-CG 4.33Å; F283-M408 HydrophobicContact CE2-CE 3.62Å; F283-M408 HydrophobicContact CE2-CG 3.47Å; F283-M408 VanDerWaalsContact CE2-CG 3.47Å; F283-M408 HydrophobicContact CE2-SD 4.43Å; F283-M408 HydrophobicContact CZ-CB 4.21Å; F283-M408 HydrophobicContact CZ-CE 4.33Å; F283-M408 HydrophobicContact CZ-CG 3.35Å; F283-I411 HydrophobicContact CE1-CB 4.3Å; F283-I411 HydrophobicContact CE1-CD1 4.27Å; F283-I411 HydrophobicContact CE1-CG2 3.77Å; F283-I411 HydrophobicContact CZ-CB 4.04Å; F283-I411 HydrophobicContact CZ-CG2 3.79Å
284	D	88	Confident	75.7	Confident	61 Å²	61	56.4 Å²	56.4	33%	0.326	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-31.9	172.6	-71.4	-30.4	0	0	0	111.9	L280 E281 V286 A287 H326 K330	L280-D284 PolarHBondContact O-N 3.3Å; E281-D284 PolarHBondContact O-N 3.17Å; D284-V286 VanDerWaalsContact C-N 3.25Å; D284-V286 PolarHBondContact O-N 2.75Å; D284-A287 VanDerWaalsContact O-CB 3.28Å; D284-A287 WeakPolarHBondContact O-CB 3.44Å; D284-A287 PolarHBondContact O-N 3Å; D284-H326 IonicContact OD1-CE1 3.43Å; D284-H326 PolarHBondContact OD1-CE1 2.65Å; D284-H326 IonicContact OD1-NE2 2.93Å; D284-H326 PolarHBondContact OD1-NE2 2.94Å; D284-H326 VanDerWaalsContact OD1-NE2 3.16Å; D284-K330 IonicContact OD1-NZ 3.22Å; D284-K330 PolarHBondContact OD1-NZ 3.16Å
285	A	83.6	Confident	73.8	Confident	39 Å²	39	64.2 Å²	64.2	32%	0.322	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.2	175.9	0	0	0	0	0	114.5	E281 F283 F415 Y429	E281-A285 VanDerWaalsContact O-CB 3.23Å; E281-A285 WeakPolarHBondContact O-CB 3.23Å; E281-A285 PolarHBondContact O-N 3.2Å; F283-A285 VanDerWaalsContact C-N 3.25Å; F283-A285 PolarHBondContact O-N 3.25Å; A285-F415 HydrophobicContact CB-CE2 3.83Å; A285-F415 HydrophobicContact CB-CZ 4.25Å; A285-Y429 HydrophobicContact CB-CD1 4.23Å; A285-Y429 HydrophobicContact CB-CE1 4.27Å
286	V	80.6	Confident	72.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-4	174.7	-66.2	0	0	0	0	112.9	F283 D284 A298 Q301 L302 Y305 L323 Y429	F283-V286 WeakPolarHBondContact O-CG2 3.39Å; F283-V286 PolarHBondContact O-N 2.78Å; D284-V286 VanDerWaalsContact C-N 3.25Å; D284-V286 PolarHBondContact O-N 2.75Å; V286-A298 HydrophobicContact CG2-CB 4.4Å; V286-A298 VanDerWaalsContact O-CA 3.31Å; V286-A298 WeakPolarHBondContact O-CA 3.42Å; V286-A298 WeakPolarHBondContact O-CB 2.95Å; V286-Q301 HydrophobicContact CG1-CG 4.33Å; V286-L302 HydrophobicContact CG1-CB 4.3Å; V286-L302 HydrophobicContact CG2-CB 4.36Å; V286-Y305 HydrophobicContact CG1-CD2 4.05Å; V286-Y305 HydrophobicContact CG1-CE2 3.67Å; V286-L323 HydrophobicContact CG2-CD2 4.32Å; V286-Y429 HydrophobicContact CG1-CE1 3.81Å
287	A	68.1	Low	71.2	Confident	37 Å²	37	69.5 Å²	69.5	31%	0.306	40%	0.397	S	S	.	.	S	Bend	trans	-54.6	143.4	173	0	0	0	0	0	108.9	F283 D284 S289	F283-A287 PolarHBondContact O-N 3.1Å; D284-A287 VanDerWaalsContact O-CB 3.28Å; D284-A287 WeakPolarHBondContact O-CB 3.44Å; D284-A287 PolarHBondContact O-N 3Å; A287-S289 PolarHBondContact O-N 3.19Å
288	P	57.3	Low	70.6	Confident	94 Å²	94	68.8 Å²	68.8	61%	0.61	40%	0.396	S	S	*	.			trans	-50.5	97.5	-162.2	15.5	-29.5	0	0	0	111.8
289	S	49	Very low	70	Confident	51 Å²	51	68.6 Å²	68.6	36%	0.357	39%	0.393	S	S	.	.			trans	-80.2	127	174.1	51.2	0	0	0	0	106.5	A287 S291	A287-S289 PolarHBondContact O-N 3.19Å; S289-S291 PolarHBondContact O-N 3.37Å
290	M	39.4	Very low	69.6	Low	175 Å²	175	72.5 Å²	72.5	86%	0.862	41%	0.407	S	S	*	.			trans	-74.2	83.4	175.9	-69.6	-102	-79.3	0	0	108
291	S	40.4	Very low	69.2	Low	60 Å²	60	73.1 Å²	73.1	42%	0.42	41%	0.41	S	S	.	.			trans	-105	122	168.6	164	0	0	0	0	108.3	S289 G293	S289-S291 PolarHBondContact O-N 3.37Å; S291-G293 PolarHBondContact O-N 2.69Å
292	D	47.4	Very low	69.1	Low	158 Å²	158	67.7 Å²	67.7	85%	0.845	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	40.1	173.2	-63.3	-19.3	0	0	0	117.5	K294	D292-K294 PolarHBondContact O-N 3.17Å
293	G	46.3	Very low	68.9	Low	83 Å²	83	69 Å²	69	86%	0.856	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	3.1	169	0	0	0	0	0	115.6	S291	S291-G293 PolarHBondContact O-N 2.69Å
294	K	51.3	Low	68.6	Low	166 Å²	166	71.2 Å²	71.2	72%	0.722	41%	0.408	S	S	*	.			trans	-109.9	117.8	171.8	-75.4	178.6	179.8	172.4	0	108.9	D292 I296	D292-K294 PolarHBondContact O-N 3.17Å; K294-I296 VanDerWaalsContact C-N 3.33Å; K294-I296 PolarHBondContact O-N 2.81Å
295	K	56.1	Low	68.6	Low	186 Å²	186	69.1 Å²	69.1	81%	0.809	40%	0.396	S	S	*	.			trans	-62	94.9	168.1	-73.9	-176.8	179	-179.4	0	108.5	N297	K295-N297 PolarHBondContact O-N 3.19Å
296	I	60.3	Low	68.9	Low	66 Å²	66	67.3 Å²	67.3	34%	0.338	38%	0.381	S	S	.	.			trans	-69.5	129.2	168.5	-60.3	176.7	0	0	0	106.8	K294 A298 Q301	K294-I296 VanDerWaalsContact C-N 3.33Å; K294-I296 PolarHBondContact O-N 2.81Å; I296-A298 PolarHBondContact O-N 3.45Å; I296-Q301 HydrophobicContact CG2-CB 4.08Å
297	N	77.8	Confident	69.1	Low	77 Å²	77	73.6 Å²	73.6	41%	0.412	41%	0.408	S	S	.	.			trans	-68.6	126.9	177.7	-179.7	-11.4	0	0	0	109.1	K295 A299 E300 Q301	K295-N297 PolarHBondContact O-N 3.19Å; N297-A299 PolarHBondContact O-N 2.99Å; N297-A299 WeakPolarHBondContact OD1-CB 3.38Å; N297-A299 PolarHBondContact OD1-N 2.78Å; N297-E300 HydrophobicContact CB-CB 4.21Å; N297-E300 HydrophobicContact CB-CG 3.91Å; N297-E300 WeakPolarHBondContact O-CA 3.12Å; N297-E300 WeakPolarHBondContact O-CB 3.34Å; N297-E300 PolarHBondContact O-N 3.07Å; N297-Q301 PolarHBondContact O-N 2.92Å
298	A	82.4	Confident	69.9	Low	15 Å²	15	74.7 Å²	74.7	12%	0.124	41%	0.406	C	S	.	.	H	α-helix	trans	-49.3	-37	177.5	0	0	0	0	0	112.7	V286 I296 Q301 L302 L323	V286-A298 HydrophobicContact CG2-CB 4.4Å; V286-A298 VanDerWaalsContact O-CA 3.31Å; V286-A298 WeakPolarHBondContact O-CA 3.42Å; V286-A298 WeakPolarHBondContact O-CB 2.95Å; I296-A298 PolarHBondContact O-N 3.45Å; A298-Q301 PolarHBondContact O-N 3.37Å; A298-L302 VanDerWaalsContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.47Å; A298-L302 PolarHBondContact O-N 2.91Å; A298-L323 HydrophobicContact CB-CD1 4.11Å
299	A	84.2	Confident	71.2	Confident	10 Å²	10	70.3 Å²	70.3	8%	0.083	38%	0.377	C	S	.	.	H	α-helix	trans	-66.3	-37.2	176.9	0	0	0	0	0	112.8	N297 F303 I319 K320 L323	N297-A299 PolarHBondContact O-N 2.99Å; N297-A299 WeakPolarHBondContact OD1-CB 3.38Å; N297-A299 PolarHBondContact OD1-N 2.78Å; A299-F303 WeakPolarHBondContact O-CB 3.37Å; A299-F303 PolarHBondContact O-N 2.84Å; A299-I319 HydrophobicContact CB-CG2 4.2Å; A299-K320 HydrophobicContact CB-CG 4.12Å; A299-L323 HydrophobicContact CB-CD1 3.62Å
300	E	84.1	Confident	72.6	Confident	115 Å²	115	68.1 Å²	68.1	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-72	-40.6	178.2	-67.9	177.9	157.2	0	0	111	N297 F303 A304	N297-E300 HydrophobicContact CB-CB 4.21Å; N297-E300 HydrophobicContact CB-CG 3.91Å; N297-E300 WeakPolarHBondContact O-CA 3.12Å; N297-E300 WeakPolarHBondContact O-CB 3.34Å; N297-E300 PolarHBondContact O-N 3.07Å; E300-F303 PolarHBondContact O-N 3.47Å; E300-A304 VanDerWaalsContact O-CB 3.32Å; E300-A304 WeakPolarHBondContact O-CB 3.19Å; E300-A304 PolarHBondContact O-N 3.31Å
301	Q	85.4	Confident	74.1	Confident	25 Å²	25	63.9 Å²	63.9	12%	0.117	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-48.8	177.1	-169.2	169.3	32.1	0	0	111.3	V286 I296 N297 A298 F303 A304 Y305	V286-Q301 HydrophobicContact CG1-CG 4.33Å; I296-Q301 HydrophobicContact CG2-CB 4.08Å; N297-Q301 PolarHBondContact O-N 2.92Å; A298-Q301 PolarHBondContact O-N 3.37Å; Q301-F303 VanDerWaalsContact C-N 3.33Å; Q301-F303 PolarHBondContact O-N 3.3Å; Q301-A304 WeakPolarHBondContact O-CB 3.37Å; Q301-A304 PolarHBondContact O-N 3.07Å; Q301-A304 VanDerWaalsContact O-N 3.1Å; Q301-Y305 HydrophobicContact CG-CE1 4.18Å; Q301-Y305 HydrophobicContact CG-CE2 3.77Å; Q301-Y305 WeakPolarHBondContact CG-OH 3.23Å; Q301-Y305 PolarHBondContact NE2-OH 2.78Å; Q301-Y305 PolarHBondContact O-N 3.36Å
302	L	87.6	Confident	75.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-41.2	176.2	-177.3	52.3	0	0	0	112.1	F283 V286 A298 A304 Y305 L306 I319 L323 I411 Y429	F283-L302 HydrophobicContact CD1-CD2 4.15Å; F283-L302 HydrophobicContact CE1-CD2 4.15Å; V286-L302 HydrophobicContact CG1-CB 4.3Å; V286-L302 HydrophobicContact CG2-CB 4.36Å; A298-L302 VanDerWaalsContact O-CB 3.28Å; A298-L302 WeakPolarHBondContact O-CB 3.47Å; A298-L302 PolarHBondContact O-N 2.91Å; L302-A304 VanDerWaalsContact C-N 3.32Å; L302-A304 PolarHBondContact O-N 2.64Å; L302-Y305 PolarHBondContact O-N 3.02Å; L302-L306 HydrophobicContact CD1-CD1 3.96Å; L302-L306 HydrophobicContact CD1-CG 4.22Å; L302-L306 HydrophobicContact CG-CD1 4.04Å; L302-L306 WeakPolarHBondContact O-CG 3.36Å; L302-L306 PolarHBondContact O-N 2.79Å; L302-L306 VanDerWaalsContact O-N 3.09Å; L302-I319 HydrophobicContact CB-CG2 4.17Å; L302-I319 HydrophobicContact CD2-CG2 3.89Å; L302-I319 HydrophobicContact CG-CG2 4.08Å; L302-L323 HydrophobicContact CD2-CD2 4.28Å; L302-L323 HydrophobicContact CD2-CG 4.42Å; L302-I411 HydrophobicContact CD1-CG2 3.97Å; L302-I411 HydrophobicContact CD2-CD1 4.29Å; L302-Y429 WeakPolarHBondContact CD1-OH 3.48Å
303	F	86.5	Confident	76.5	Confident	31 Å²	31	59.2 Å²	59.2	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-40.8	173.4	-172.9	-95.2	0	0	0	111.6	A299 E300 Q301 L306 K307 L312 K316 I319	A299-F303 WeakPolarHBondContact O-CB 3.37Å; A299-F303 PolarHBondContact O-N 2.84Å; E300-F303 PolarHBondContact O-N 3.47Å; Q301-F303 VanDerWaalsContact C-N 3.33Å; Q301-F303 PolarHBondContact O-N 3.3Å; F303-L306 PolarHBondContact O-N 3.18Å; F303-K307 HydrophobicContact CE1-CD 3.99Å; F303-K307 WeakPolarHBondContact O-CB 3.42Å; F303-K307 PolarHBondContact O-N 3.35Å; F303-L312 HydrophobicContact CD2-CD1 3.8Å; F303-L312 HydrophobicContact CE2-CB 3.94Å; F303-L312 HydrophobicContact CE2-CD1 3.76Å; F303-L312 HydrophobicContact CG-CD1 4.37Å; F303-L312 HydrophobicContact CZ-CB 4.25Å; F303-L312 HydrophobicContact CZ-CD1 4.3Å; F303-K316 HydrophobicContact CD2-CG 3.84Å; F303-K316 HydrophobicContact CE2-CG 3.79Å; F303-K316 HydrophobicContact CG-CG 4.29Å; F303-K316 HydrophobicContact CZ-CG 4.18Å; F303-I319 HydrophobicContact CB-CD1 3.73Å; F303-I319 HydrophobicContact CD2-CD1 3.59Å; F303-I319 HydrophobicContact CG-CD1 4.13Å
304	A	85.8	Confident	77.2	Confident	47 Å²	47	62.1 Å²	62.1	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-41	179	0	0	0	0	0	112.1	E300 Q301 L302	E300-A304 VanDerWaalsContact O-CB 3.32Å; E300-A304 WeakPolarHBondContact O-CB 3.19Å; E300-A304 PolarHBondContact O-N 3.31Å; Q301-A304 WeakPolarHBondContact O-CB 3.37Å; Q301-A304 PolarHBondContact O-N 3.07Å; Q301-A304 VanDerWaalsContact O-N 3.1Å; L302-A304 VanDerWaalsContact C-N 3.32Å; L302-A304 PolarHBondContact O-N 2.64Å
305	Y	88	Confident	78.1	Confident	17 Å²	17	55.3 Å²	55.3	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-54.2	174.5	-63.4	-22.6	0	0	0	111.7	V286 Q301 L302 K307 K308 F428 Y429 P430	V286-Y305 HydrophobicContact CG1-CD2 4.05Å; V286-Y305 HydrophobicContact CG1-CE2 3.67Å; Q301-Y305 HydrophobicContact CG-CE1 4.18Å; Q301-Y305 HydrophobicContact CG-CE2 3.77Å; Q301-Y305 WeakPolarHBondContact CG-OH 3.23Å; Q301-Y305 PolarHBondContact NE2-OH 2.78Å; Q301-Y305 PolarHBondContact O-N 3.36Å; L302-Y305 PolarHBondContact O-N 3.02Å; Y305-K307 VanDerWaalsContact C-N 3.25Å; Y305-K307 PolarHBondContact O-N 2.97Å; Y305-K308 VanDerWaalsContact O-CB 3.29Å; Y305-K308 WeakPolarHBondContact O-CB 3.46Å; Y305-K308 PolarHBondContact O-N 3.49Å; Y305-F428 WeakPolarHBondContact CB-O 3.46Å; Y305-F428 WeakPolarHBondContact CD1-O 3.39Å; Y305-F428 WeakPolarHBondContact CD2-O 3.25Å; Y305-F428 WeakPolarHBondContact O-CD2 3.39Å; Y305-F428 WeakPolarHBondContact O-CE2 3.28Å; Y305-Y429 AromaticContact CD2-CD1 3.91Å; Y305-Y429 HydrophobicContact CD2-CD1 3.91Å; Y305-Y429 AromaticContact CD2-CD2 3.91Å; Y305-Y429 HydrophobicContact CD2-CD2 3.91Å; Y305-Y429 AromaticContact CD2-CE1 3.92Å; Y305-Y429 HydrophobicContact CD2-CE1 3.92Å; Y305-Y429 AromaticContact CD2-CE2 3.89Å; Y305-Y429 HydrophobicContact CD2-CE2 3.89Å; Y305-Y429 AromaticContact CD2-CG 3.94Å; Y305-Y429 HydrophobicContact CD2-CG 3.94Å; Y305-Y429 AromaticContact CD2-CZ 3.92Å; Y305-Y429 AromaticContact CE2-CD1 3.77Å; Y305-Y429 HydrophobicContact CE2-CD1 3.77Å; Y305-Y429 HydrophobicContact CE2-CD2 4.49Å; Y305-Y429 HydrophobicContact CE2-CE1 4.03Å; Y305-Y429 HydrophobicContact CE2-CG 4.05Å; Y305-Y429 HydrophobicContact CG-CD2 4.45Å; Y305-P430 VanDerWaalsContact CZ-CD 3.45Å; Y305-P430 WeakPolarHBondContact OH-CD 3.41Å; Y305-P430 WeakPolarHBondContact OH-CG 3.45Å
306	L	88.1	Confident	79.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-30.4	-177.1	-66.6	169.6	0	0	0	112.6	L221 L302 F303 K308 L309 L312 I319 I411 L414 F428	L221-L306 HydrophobicContact CD1-CD1 4.02Å; L302-L306 HydrophobicContact CD1-CD1 3.96Å; L302-L306 HydrophobicContact CD1-CG 4.22Å; L302-L306 HydrophobicContact CG-CD1 4.04Å; L302-L306 WeakPolarHBondContact O-CG 3.36Å; L302-L306 PolarHBondContact O-N 2.79Å; L302-L306 VanDerWaalsContact O-N 3.09Å; F303-L306 PolarHBondContact O-N 3.18Å; L306-K308 PolarHBondContact O-N 2.54Å; L306-L309 PolarHBondContact O-N 2.96Å; L306-L309 VanDerWaalsContact O-N 3.1Å; L306-L312 HydrophobicContact CB-CD1 3.55Å; L306-L312 HydrophobicContact CB-CD2 4.22Å; L306-L312 HydrophobicContact CB-CG 4.42Å; L306-I319 HydrophobicContact CD1-CD1 3.92Å; L306-I411 HydrophobicContact CD1-CD1 3.88Å; L306-I411 HydrophobicContact CD1-CG1 3.87Å; L306-I411 HydrophobicContact CD2-CG1 4.16Å; L306-L414 HydrophobicContact CD2-CD1 3.96Å; L306-F428 HydrophobicContact CD2-CZ 4.39Å
307	K	86.4	Confident	80.2	Confident	131 Å²	131	53 Å²	53	57%	0.57	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.5	177.3	-171.9	-179.7	177.6	-169.6	0	112.7	F303 Y305 L309 G310 L312	F303-K307 HydrophobicContact CE1-CD 3.99Å; F303-K307 WeakPolarHBondContact O-CB 3.42Å; F303-K307 PolarHBondContact O-N 3.35Å; Y305-K307 VanDerWaalsContact C-N 3.25Å; Y305-K307 PolarHBondContact O-N 2.97Å; K307-L309 PolarHBondContact O-N 3.31Å; K307-G310 PolarHBondContact O-N 3.34Å; K307-L312 HydrophobicContact CB-CD1 4.12Å
308	K	84.8	Confident	80.6	Confident	61 Å²	61	50.3 Å²	50.3	27%	0.265	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-67.9	-24	172.9	-61.6	-179.4	-178.7	179.9	0	112.2	Y305 L306 G310 Y425 S426 E427 F428	Y305-K308 VanDerWaalsContact O-CB 3.29Å; Y305-K308 WeakPolarHBondContact O-CB 3.46Å; Y305-K308 PolarHBondContact O-N 3.49Å; L306-K308 PolarHBondContact O-N 2.54Å; K308-G310 PolarHBondContact O-N 3.45Å; K308-Y425 HydrophobicContact CB-CD1 3.8Å; K308-Y425 HydrophobicContact CB-CE1 4.38Å; K308-Y425 HydrophobicContact CB-CG 4.19Å; K308-Y425 WeakPolarHBondContact O-CE1 3.46Å; K308-S426 PolarHBondContact NZ-O 3.13Å; K308-E427 VanDerWaalsContact NZ-C 3.34Å; K308-E427 PolarHBondContact NZ-O 2.83Å; K308-F428 HydrophobicContact CB-CD2 4.41Å
309	L	83.7	Confident	80.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-88.2	20.2	178.1	-58.4	174	0	0	0	113.1	V208 W219 L306 K307 L414 L421 Y425 F428	V208-L309 HydrophobicContact CG1-CD1 4.16Å; V208-L309 HydrophobicContact CG1-CD2 4.21Å; V208-L309 HydrophobicContact CG2-CD2 4.43Å; W219-L309 HydrophobicContact CH2-CB 3.77Å; W219-L309 HydrophobicContact CH2-CD1 3.71Å; W219-L309 HydrophobicContact CH2-CG 4.4Å; W219-L309 HydrophobicContact CZ2-CD1 4.26Å; L306-L309 PolarHBondContact O-N 2.96Å; L306-L309 VanDerWaalsContact O-N 3.1Å; K307-L309 PolarHBondContact O-N 3.31Å; L309-L414 HydrophobicContact CD1-CD1 3.69Å; L309-L414 HydrophobicContact CD1-CD2 3.85Å; L309-L414 HydrophobicContact CD1-CG 4.34Å; L309-L421 HydrophobicContact CD2-CD2 4.15Å; L309-Y425 HydrophobicContact CD2-CD2 3.99Å; L309-Y425 HydrophobicContact CD2-CE2 3.44Å; L309-Y425 VanDerWaalsContact CD2-CE2 3.44Å; L309-F428 HydrophobicContact CD1-CE2 3.47Å; L309-F428 VanDerWaalsContact CD1-CE2 3.47Å; L309-F428 HydrophobicContact CD1-CZ 3.46Å; L309-F428 VanDerWaalsContact CD1-CZ 3.46Å; L309-F428 HydrophobicContact CD2-CD2 4.46Å; L309-F428 HydrophobicContact CD2-CE2 4.05Å; L309-F428 HydrophobicContact CG-CD2 4.31Å; L309-F428 HydrophobicContact CG-CE2 3.52Å; L309-F428 HydrophobicContact CG-CZ 4.06Å
310	G	77.9	Confident	81.1	Confident	5 Å²	5	54.5 Å²	54.5	5%	0.052	27%	0.272	C	S	.	.	S	Bend	trans	107.2	-178.3	179.9	0	0	0	0	0	114.6	E205 K307 K308 L312	E205-G310 PolarHBondContact OE1-N 2.73Å; K307-G310 PolarHBondContact O-N 3.34Å; K308-G310 PolarHBondContact O-N 3.45Å; G310-L312 PolarHBondContact O-N 2.86Å
311	P	71.1	Confident	81.4	Confident	87 Å²	87	51.7 Å²	51.7	57%	0.565	26%	0.26	S	S	*	.			trans	-68.7	103.1	-172	26.1	-33.1	0	0	0	111.4
312	L	72.5	Confident	81.8	Confident	22 Å²	22	50.5 Å²	50.5	12%	0.115	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-68.1	129.8	161.3	-55.4	176.9	0	0	0	108	L221 T222 F303 L306 K307 G310	L221-L312 HydrophobicContact CB-CD2 4.04Å; T222-L312 HydrophobicContact CG2-CD2 4.16Å; F303-L312 HydrophobicContact CD2-CD1 3.8Å; F303-L312 HydrophobicContact CE2-CB 3.94Å; F303-L312 HydrophobicContact CE2-CD1 3.76Å; F303-L312 HydrophobicContact CG-CD1 4.37Å; F303-L312 HydrophobicContact CZ-CB 4.25Å; F303-L312 HydrophobicContact CZ-CD1 4.3Å; L306-L312 HydrophobicContact CB-CD1 3.55Å; L306-L312 HydrophobicContact CB-CD2 4.22Å; L306-L312 HydrophobicContact CB-CG 4.42Å; K307-L312 HydrophobicContact CB-CD1 4.12Å; G310-L312 PolarHBondContact O-N 2.86Å
313	K	66.1	Low	82	Confident	98 Å²	98	51.8 Å²	51.8	43%	0.426	26%	0.261	S	S	.	.			trans	-57.6	165.2	169.4	-164.6	174.5	-163.6	164.1	0	108.6	D226 K315	D226-K313 IonicContact OD2-NZ 3.58Å; D226-K313 PolarHBondContact OD2-NZ 3.02Å; K313-K315 HydrophobicContact CB-CD 3.85Å; K313-K315 HydrophobicContact CB-CG 3.88Å; K313-K315 HydrophobicContact CG-CG 4.42Å; K313-K315 WeakPolarHBondContact O-CB 3.37Å; K313-K315 PolarHBondContact O-N 3.46Å
314	D	60.9	Low	82.3	Confident	143 Å²	143	55.9 Å²	55.9	77%	0.765	28%	0.281	S	S	*	.	S	Bend	trans	-64.8	69.9	174.6	-166.2	14.1	0	0	0	111.5
315	K	69.8	Low	82.6	Confident	23 Å²	23	54 Å²	54	10%	0.1	27%	0.265	C	S	.	.			trans	-119.2	20.9	-167.2	-81.4	-175.1	178.7	-158.6	0	109.6	Y220 K313 N317 I318 I319	Y220-K315 PolarHBondContact O-NZ 2.7Å; K313-K315 HydrophobicContact CB-CD 3.85Å; K313-K315 HydrophobicContact CB-CG 3.88Å; K313-K315 HydrophobicContact CG-CG 4.42Å; K313-K315 WeakPolarHBondContact O-CB 3.37Å; K313-K315 PolarHBondContact O-N 3.46Å; K315-N317 PolarHBondContact O-N 3.33Å; K315-N317 VanDerWaalsContact O-N 3.09Å; K315-I318 HydrophobicContact CB-CD1 3.81Å; K315-I318 HydrophobicContact CB-CG1 4.45Å; K315-I318 HydrophobicContact CD-CD1 3.51Å; K315-I318 HydrophobicContact CG-CD1 3.54Å; K315-I318 WeakPolarHBondContact O-CB 3.25Å; K315-I318 PolarHBondContact O-N 3.07Å; K315-I319 PolarHBondContact O-N 3Å
316	K	77.7	Confident	82.9	Confident	100 Å²	100	54 Å²	54	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-51.1	-32.6	170.8	-71.7	-174.7	176.9	-175.2	0	111.5	F303 I319 K320	F303-K316 HydrophobicContact CD2-CG 3.84Å; F303-K316 HydrophobicContact CE2-CG 3.79Å; F303-K316 HydrophobicContact CG-CG 4.29Å; F303-K316 HydrophobicContact CZ-CG 4.18Å; K316-I319 PolarHBondContact O-N 3.42Å; K316-K320 WeakPolarHBondContact O-CG 3.29Å; K316-K320 PolarHBondContact O-N 3.12Å
317	N	83.9	Confident	83.1	Confident	105 Å²	105	57.4 Å²	57.4	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-62.1	-42.3	174.8	-65.4	-14.3	0	0	0	112.3	K315 I319 K320 D321	K315-N317 PolarHBondContact O-N 3.33Å; K315-N317 VanDerWaalsContact O-N 3.09Å; N317-I319 VanDerWaalsContact C-N 3.33Å; N317-I319 PolarHBondContact O-N 2.97Å; N317-K320 WeakPolarHBondContact O-CB 3.26Å; N317-K320 PolarHBondContact O-N 3.06Å; N317-D321 PolarHBondContact O-N 3.04Å
318	I	85.8	Confident	83.4	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.097	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.4	-63.1	164.1	0	0	0	110.6	Y220 L221 K315 K320 D321 V322 A407	Y220-I318 HydrophobicContact CD1-CD1 3.73Å; Y220-I318 HydrophobicContact CE1-CD1 3.2Å; Y220-I318 HydrophobicContact CE1-CG1 4.2Å; L221-I318 HydrophobicContact CD2-CB 4.35Å; L221-I318 HydrophobicContact CD2-CG2 3.82Å; K315-I318 HydrophobicContact CB-CD1 3.81Å; K315-I318 HydrophobicContact CB-CG1 4.45Å; K315-I318 HydrophobicContact CD-CD1 3.51Å; K315-I318 HydrophobicContact CG-CD1 3.54Å; K315-I318 WeakPolarHBondContact O-CB 3.25Å; K315-I318 PolarHBondContact O-N 3.07Å; I318-K320 VanDerWaalsContact C-N 3.29Å; I318-K320 PolarHBondContact O-N 2.93Å; I318-D321 PolarHBondContact O-N 3.42Å; I318-V322 HydrophobicContact CG2-CG2 4.17Å; I318-V322 WeakPolarHBondContact O-CB 3.09Å; I318-V322 VanDerWaalsContact O-CG2 3.25Å; I318-V322 WeakPolarHBondContact O-CG2 3.3Å; I318-V322 PolarHBondContact O-N 2.89Å; I318-A407 HydrophobicContact CG2-CB 4.02Å
319	I	88.1	Confident	83.9	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-40.5	177	-63.1	-168.2	0	0	0	111	A299 L302 F303 L306 K315 K316 N317 V322 L323	A299-I319 HydrophobicContact CB-CG2 4.2Å; L302-I319 HydrophobicContact CB-CG2 4.17Å; L302-I319 HydrophobicContact CD2-CG2 3.89Å; L302-I319 HydrophobicContact CG-CG2 4.08Å; F303-I319 HydrophobicContact CB-CD1 3.73Å; F303-I319 HydrophobicContact CD2-CD1 3.59Å; F303-I319 HydrophobicContact CG-CD1 4.13Å; L306-I319 HydrophobicContact CD1-CD1 3.92Å; K315-I319 PolarHBondContact O-N 3Å; K316-I319 PolarHBondContact O-N 3.42Å; N317-I319 VanDerWaalsContact C-N 3.33Å; N317-I319 PolarHBondContact O-N 2.97Å; I319-V322 PolarHBondContact O-N 3.4Å; I319-L323 HydrophobicContact CG2-CD1 4.15Å; I319-L323 WeakPolarHBondContact O-CG 3.48Å; I319-L323 PolarHBondContact O-N 3.11Å
320	K	89.1	Confident	84.4	Confident	112 Å²	112	57.2 Å²	57.2	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-44.5	173.6	-70.4	174.7	-179.9	-179.5	0	111.5	A299 K316 N317 I318 L323 Q324	A299-K320 HydrophobicContact CB-CG 4.12Å; K316-K320 WeakPolarHBondContact O-CG 3.29Å; K316-K320 PolarHBondContact O-N 3.12Å; N317-K320 WeakPolarHBondContact O-CB 3.26Å; N317-K320 PolarHBondContact O-N 3.06Å; I318-K320 VanDerWaalsContact C-N 3.29Å; I318-K320 PolarHBondContact O-N 2.93Å; K320-L323 PolarHBondContact O-N 2.9Å; K320-Q324 WeakPolarHBondContact O-CB 3.31Å; K320-Q324 PolarHBondContact O-N 3.18Å
321	D	91.3	Very high	85	Confident	56 Å²	56	61 Å²	61	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-66.8	-36.9	179.9	-58.7	-16.9	0	0	0	111.8	N317 I318 Q324 L325 N404	N317-D321 PolarHBondContact O-N 3.04Å; I318-D321 PolarHBondContact O-N 3.42Å; D321-Q324 PolarHBondContact O-N 2.98Å; D321-L325 WeakPolarHBondContact O-CB 3.48Å; D321-L325 PolarHBondContact O-N 3.11Å; D321-N404 VanDerWaalsContact CB-ND2 3.29Å; D321-N404 WeakPolarHBondContact CB-ND2 2.98Å
322	V	92.9	Very high	86	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-42.4	173.4	170	0	0	0	0	111.1	F283 I318 I319 Q324 L325 H326 N404 A407 M408 I411	F283-V322 HydrophobicContact CD1-CG1 4.3Å; F283-V322 HydrophobicContact CE1-CG1 3.46Å; F283-V322 VanDerWaalsContact CE1-CG1 3.46Å; F283-V322 HydrophobicContact CZ-CG1 3.9Å; I318-V322 HydrophobicContact CG2-CG2 4.17Å; I318-V322 WeakPolarHBondContact O-CB 3.09Å; I318-V322 VanDerWaalsContact O-CG2 3.25Å; I318-V322 WeakPolarHBondContact O-CG2 3.3Å; I318-V322 PolarHBondContact O-N 2.89Å; I319-V322 PolarHBondContact O-N 3.4Å; V322-Q324 VanDerWaalsContact C-N 3.32Å; V322-L325 PolarHBondContact O-N 3.44Å; V322-H326 PolarHBondContact O-N 3.47Å; V322-N404 HydrophobicContact CG2-CB 4.1Å; V322-A407 HydrophobicContact CG2-CB 3.79Å; V322-M408 HydrophobicContact CG1-CB 4.04Å; V322-M408 HydrophobicContact CG1-CG 4.06Å; V322-I411 HydrophobicContact CG1-CD1 4.38Å
323	L	91.7	Very high	86.8	Confident	27 Å²	27	58.6 Å²	58.6	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-33	175.4	-73.3	170.2	0	0	0	112.3	F283 V286 A298 A299 L302 I319 K320 S327	F283-L323 HydrophobicContact CD1-CD2 4.09Å; V286-L323 HydrophobicContact CG2-CD2 4.32Å; A298-L323 HydrophobicContact CB-CD1 4.11Å; A299-L323 HydrophobicContact CB-CD1 3.62Å; L302-L323 HydrophobicContact CD2-CD2 4.28Å; L302-L323 HydrophobicContact CD2-CG 4.42Å; I319-L323 HydrophobicContact CG2-CD1 4.15Å; I319-L323 WeakPolarHBondContact O-CG 3.48Å; I319-L323 PolarHBondContact O-N 3.11Å; K320-L323 PolarHBondContact O-N 2.9Å; L323-S327 WeakPolarHBondContact O-CB 3.33Å; L323-S327 PolarHBondContact O-N 2.81Å
324	Q	92.1	Very high	87.8	Confident	116 Å²	116	59.8 Å²	59.8	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-44	171.4	-178	175.5	-7	0	0	111.1	K320 D321 V322 S327 Q328	K320-Q324 WeakPolarHBondContact O-CB 3.31Å; K320-Q324 PolarHBondContact O-N 3.18Å; D321-Q324 PolarHBondContact O-N 2.98Å; V322-Q324 VanDerWaalsContact C-N 3.32Å; Q324-S327 WeakPolarHBondContact O-CB 3.26Å; Q324-S327 PolarHBondContact O-N 3.03Å; Q324-Q328 WeakPolarHBondContact O-CG 3.41Å; Q324-Q328 PolarHBondContact O-N 3.06Å
325	L	93.5	Very high	88.7	Confident	9 Å²	9	57.5 Å²	57.5	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-44.7	175	-178.2	61.5	0	0	0	111.6	D321 V322 S327 Q328 I329 I391 A395 N404 L405 M408	D321-L325 WeakPolarHBondContact O-CB 3.48Å; D321-L325 PolarHBondContact O-N 3.11Å; V322-L325 PolarHBondContact O-N 3.44Å; L325-S327 VanDerWaalsContact C-N 3.33Å; L325-S327 PolarHBondContact O-N 3.26Å; L325-Q328 WeakPolarHBondContact O-CB 3.27Å; L325-Q328 PolarHBondContact O-N 2.98Å; L325-I329 HydrophobicContact CD1-CD1 4.39Å; L325-I329 HydrophobicContact CG-CD1 4.08Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.36Å; L325-I391 HydrophobicContact CD1-CG2 3.58Å; L325-A395 HydrophobicContact CD1-CB 4.35Å; L325-N404 HydrophobicContact CD2-CB 4.36Å; L325-L405 HydrophobicContact CD2-CD2 3.93Å; L325-L405 HydrophobicContact CD2-CG 4.33Å; L325-M408 HydrophobicContact CD2-SD 4.15Å; L325-M408 HydrophobicContact CG-SD 4.43Å
326	H	93.6	Very high	89.4	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.069	32%	0.322	C	S	.	.	H	α-helix	trans	-55	-47.1	171.8	164.2	-102	0	0	0	111.7	F283 D284 V322 Q328 I329 K330 M408	F283-H326 HydrophobicContact CB-CB 4.22Å; F283-H326 WeakPolarHBondContact CB-CD2 3.29Å; F283-H326 WeakPolarHBondContact CB-NE2 3.44Å; F283-H326 HydrophobicContact CG-CB 4.19Å; F283-H326 AromaticContact CG-CD2 3.88Å; D284-H326 IonicContact OD1-CE1 3.43Å; D284-H326 PolarHBondContact OD1-CE1 2.65Å; D284-H326 IonicContact OD1-NE2 2.93Å; D284-H326 PolarHBondContact OD1-NE2 2.94Å; D284-H326 VanDerWaalsContact OD1-NE2 3.16Å; V322-H326 PolarHBondContact O-N 3.47Å; H326-Q328 VanDerWaalsContact C-N 3.31Å; H326-Q328 PolarHBondContact O-N 3.32Å; H326-I329 PolarHBondContact O-N 2.99Å; H326-K330 WeakPolarHBondContact O-CB 3.45Å; H326-K330 PolarHBondContact O-N 3.45Å; H326-M408 HydrophobicContact CB-CE 4.22Å
327	S	92	Very high	89.8	Confident	73 Å²	73	58.4 Å²	58.4	51%	0.51	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-38.5	178	-175.1	0	0	0	0	112.4	L323 Q324 L325 S331	L323-S327 WeakPolarHBondContact O-CB 3.33Å; L323-S327 PolarHBondContact O-N 2.81Å; Q324-S327 WeakPolarHBondContact O-CB 3.26Å; Q324-S327 PolarHBondContact O-N 3.03Å; L325-S327 VanDerWaalsContact C-N 3.33Å; L325-S327 PolarHBondContact O-N 3.26Å; S327-S331 WeakPolarHBondContact O-CB 3.5Å; S327-S331 PolarHBondContact O-N 3.29Å; S327-S331 PolarHBondContact O-OG 3.31Å
328	Q	93.9	Very high	90	Very high	86 Å²	86	55.8 Å²	55.8	40%	0.402	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-49.2	175.3	-72.4	173.7	-19.7	0	0	110.8	Q324 L325 H326 K330 S331 A332 I391	Q324-Q328 WeakPolarHBondContact O-CG 3.41Å; Q324-Q328 PolarHBondContact O-N 3.06Å; L325-Q328 WeakPolarHBondContact O-CB 3.27Å; L325-Q328 PolarHBondContact O-N 2.98Å; H326-Q328 VanDerWaalsContact C-N 3.31Å; H326-Q328 PolarHBondContact O-N 3.32Å; Q328-K330 PolarHBondContact O-N 2.8Å; Q328-S331 PolarHBondContact O-N 3.4Å; Q328-S331 PolarHBondContact O-OG 2.86Å; Q328-A332 PolarHBondContact O-N 3.2Å; Q328-A332 VanDerWaalsContact O-N 3.1Å; Q328-I391 HydrophobicContact CB-CD1 4.29Å; Q328-I391 HydrophobicContact CB-CG2 4.3Å; Q328-I391 WeakPolarHBondContact O-CD1 3.47Å
329	I	94.7	Very high	90.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-49.5	177.9	-65.3	163.8	0	0	0	110.2	L280 L325 H326 S331 A332 I333 V388 I391 H392 M408	L280-I329 HydrophobicContact CD1-CG2 3.98Å; L280-I329 HydrophobicContact CD2-CG2 4.09Å; L325-I329 HydrophobicContact CD1-CD1 4.39Å; L325-I329 HydrophobicContact CG-CD1 4.08Å; L325-I329 WeakPolarHBondContact O-CG1 3.38Å; L325-I329 PolarHBondContact O-N 3.36Å; H326-I329 PolarHBondContact O-N 2.99Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 3.39Å; I329-A332 WeakPolarHBondContact O-CB 3.39Å; I329-A332 PolarHBondContact O-N 2.87Å; I329-I333 HydrophobicContact CG2-CD1 4.18Å; I329-I333 WeakPolarHBondContact O-CG1 3.09Å; I329-I333 PolarHBondContact O-N 2.83Å; I329-V388 HydrophobicContact CG2-CG1 3.85Å; I329-V388 HydrophobicContact CG2-CG2 4.03Å; I329-I391 HydrophobicContact CG1-CG2 3.88Å; I329-H392 VanDerWaalsContact CD1-CE1 3.49Å; I329-H392 WeakPolarHBondContact CD1-CE1 3.43Å; I329-M408 HydrophobicContact CD1-CE 3.8Å; I329-M408 HydrophobicContact CD1-SD 3.99Å
330	K	92.9	Very high	90.6	Very high	103 Å²	103	60.6 Å²	60.6	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-38.7	178.7	-172	169.8	-173.2	163.1	0	112.5	L280 D284 H326 Q328 A332	L280-K330 HydrophobicContact CD1-CB 4.1Å; D284-K330 IonicContact OD1-NZ 3.22Å; D284-K330 PolarHBondContact OD1-NZ 3.16Å; H326-K330 WeakPolarHBondContact O-CB 3.45Å; H326-K330 PolarHBondContact O-N 3.45Å; Q328-K330 PolarHBondContact O-N 2.8Å; K330-A332 VanDerWaalsContact C-N 3.32Å
331	S	91.8	Very high	90.8	Very high	85 Å²	85	61.8 Å²	61.8	59%	0.594	36%	0.356	S	S	*	.	H	α-helix	trans	-71.8	-24.5	177.6	71.9	0	0	0	0	114	S327 Q328 I329	S327-S331 WeakPolarHBondContact O-CB 3.5Å; S327-S331 PolarHBondContact O-N 3.29Å; S327-S331 PolarHBondContact O-OG 3.31Å; Q328-S331 PolarHBondContact O-N 3.4Å; Q328-S331 PolarHBondContact O-OG 2.86Å; I329-S331 VanDerWaalsContact C-N 3.27Å; I329-S331 PolarHBondContact O-N 3.39Å
332	A	91.5	Very high	91	Very high	13 Å²	13	60 Å²	60	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-81.6	-22.5	178.2	0	0	0	0	0	113.2	Q328 I329 K330 Q334 K387 V388 I391	Q328-A332 PolarHBondContact O-N 3.2Å; Q328-A332 VanDerWaalsContact O-N 3.1Å; I329-A332 WeakPolarHBondContact O-CB 3.39Å; I329-A332 PolarHBondContact O-N 2.87Å; K330-A332 VanDerWaalsContact C-N 3.32Å; A332-Q334 PolarHBondContact O-N 2.89Å; A332-K387 HydrophobicContact CB-CB 4.03Å; A332-V388 HydrophobicContact CB-CG2 4.33Å; A332-I391 HydrophobicContact CB-CD1 3.5Å
333	I	90.6	Very high	91.1	Very high	45 Å²	45	63.9 Å²	63.9	23%	0.231	37%	0.371	C	S	.	.			trans	-72.3	109.8	177.7	-67.2	167.6	0	0	0	109.3	L277 L280 I329 P335 V388	L277-I333 HydrophobicContact CD1-CB 4.46Å; L277-I333 HydrophobicContact CD1-CG1 4.19Å; L277-I333 HydrophobicContact CD1-CG2 3.67Å; L280-I333 HydrophobicContact CD1-CD1 3.9Å; I329-I333 HydrophobicContact CG2-CD1 4.18Å; I329-I333 WeakPolarHBondContact O-CG1 3.09Å; I329-I333 PolarHBondContact O-N 2.83Å; I333-P335 HydrophobicContact CG2-CG 3.86Å; I333-V388 HydrophobicContact CG1-CG2 3.82Å
334	Q	86.5	Confident	91.1	Very high	123 Å²	123	64.3 Å²	64.3	58%	0.575	37%	0.374	S	S	*	.			trans	-124.8	85	172.7	-69.6	179.2	-19.3	0	0	107.4	A332 S336 S384	A332-Q334 PolarHBondContact O-N 2.89Å; Q334-S336 PolarHBondContact O-N 3.44Å; Q334-S336 VanDerWaalsContact O-N 3.12Å; Q334-S384 PolarHBondContact N-OG 3.37Å; Q334-S384 PolarHBondContact O-OG 3.14Å
335	P	79	Confident	91.3	Very high	94 Å²	94	64.5 Å²	64.5	61%	0.61	37%	0.374	S	S	*	.			trans	-64.3	118.4	-176.8	-12.2	25.8	0	0	0	108.7	I333	I333-P335 HydrophobicContact CG2-CG 3.86Å
336	S	84.8	Confident	91.4	Very high	84 Å²	84	67.7 Å²	67.7	59%	0.587	39%	0.388	S	S	*	.			trans	-92.2	-18.9	174.1	62	0	0	0	0	111.7	Q334 S338 D381	Q334-S336 PolarHBondContact O-N 3.44Å; Q334-S336 VanDerWaalsContact O-N 3.12Å; S336-S338 PolarHBondContact O-N 3.14Å; S336-S338 VanDerWaalsContact OG-CB 3.26Å; S336-S338 WeakPolarHBondContact OG-CB 3.41Å; S336-S338 PolarHBondContact OG-N 2.77Å; S336-S338 VanDerWaalsContact OG-N 3.12Å; S336-S338 PolarHBondContact OG-OG 3.09Å; S336-D381 WeakPolarHBondContact CA-OD1 3.39Å; S336-D381 WeakPolarHBondContact CB-OD1 3.07Å; S336-D381 PolarHBondContact N-OD1 3.36Å; S336-D381 PolarHBondContact OG-OD1 3.02Å
337	G	85.6	Confident	91.5	Very high	58 Å²	58	67 Å²	67	60%	0.598	38%	0.384	S	S	*	.			trans	71.6	14.2	-167.1	0	0	0	0	0	112.7	D381	G337-D381 PolarHBondContact N-OD1 2.86Å
338	S	89	Confident	91.7	Very high	50 Å²	50	65.2 Å²	65.2	35%	0.35	37%	0.372	S	S	.	.			trans	-71.2	132	178.4	58	0	0	0	0	110.1	S336 H380 D381	S336-S338 PolarHBondContact O-N 3.14Å; S336-S338 VanDerWaalsContact OG-CB 3.26Å; S336-S338 WeakPolarHBondContact OG-CB 3.41Å; S336-S338 PolarHBondContact OG-N 2.77Å; S336-S338 VanDerWaalsContact OG-N 3.12Å; S336-S338 PolarHBondContact OG-OG 3.09Å; S338-H380 CarbonylContact O-C 3.56Å; S338-H380 VanDerWaalsContact O-CA 3.3Å; S338-H380 WeakPolarHBondContact O-CA 3.45Å; S338-D381 PolarHBondContact N-OD1 3.38Å; S338-D381 PolarHBondContact O-N 3.11Å
339	V	92.5	Very high	91.8	Very high	91 Å²	91	67 Å²	67	55%	0.552	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.1	178.2	-172.5	0	0	0	0	107.7	I378 H380	V339-I378 HydrophobicContact CG1-CG2 3.35Å; V339-H380 WeakPolarHBondContact CG2-ND1 3.36Å
340	S	93.2	Very high	91.9	Very high	32 Å²	32	67 Å²	67	22%	0.224	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	134.2	-171	46.5	0	0	0	0	111.3	I378 V379 Q382	S340-I378 WeakPolarHBondContact O-CA 3.28Å; S340-V379 PolarHBondContact N-O 3.01Å; S340-V379 PolarHBondContact O-N 2.61Å; S340-V379 PolarHBondContact OG-O 3.15Å; S340-Q382 VanDerWaalsContact OG-CD 3.31Å; S340-Q382 WeakPolarHBondContact OG-CG 3.01Å; S340-Q382 PolarHBondContact OG-NE2 2.99Å
341	K	94.3	Very high	92.1	Very high	136 Å²	136	62.1 Å²	62.1	59%	0.591	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.5	172.8	-60.8	-173.3	179.8	-165.4	0	109.5	E376 I377 I378	K341-E376 WeakPolarHBondContact CE-OE2 3.36Å; K341-E376 VanDerWaalsContact NZ-CD 3.28Å; K341-E376 IonicContact NZ-OE1 3.49Å; K341-E376 PolarHBondContact NZ-OE1 3.15Å; K341-E376 VanDerWaalsContact NZ-OE1 3.1Å; K341-E376 IonicContact NZ-OE2 2.72Å; K341-E376 PolarHBondContact NZ-OE2 3.02Å; K341-I377 CarbonylContact C-O 3.56Å; K341-I377 WeakPolarHBondContact CA-O 3.32Å; K341-I378 HydrophobicContact CG-CG1 4.38Å
342	V	94.7	Very high	92.2	Very high	20 Å²	20	62.7 Å²	62.7	12%	0.121	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.3	-178	-58.8	0	0	0	0	111.4	K346 L347 I350 I377 V379	V342-K346 HydrophobicContact CB-CB 4.08Å; V342-K346 HydrophobicContact CB-CG 4.08Å; V342-K346 HydrophobicContact CG1-CG 4.07Å; V342-L347 HydrophobicContact CG2-CB 4.19Å; V342-I350 HydrophobicContact CG1-CD1 4.43Å; V342-I377 HydrophobicContact CG2-CB 4.07Å; V342-I377 HydrophobicContact CG2-CG2 3.91Å; V342-I377 PolarHBondContact N-O 2.58Å; V342-V379 HydrophobicContact CG1-CG2 4.37Å; V342-V379 HydrophobicContact CG2-CG2 3.46Å; V342-V379 VanDerWaalsContact CG2-CG2 3.46Å
343	T	94.4	Very high	92.4	Very high	80 Å²	80	64.3 Å²	64.3	49%	0.491	37%	0.368	S	S	.	.			trans	-82.7	165.8	166.7	76.7	0	0	0	0	110.5	E345 K346 L347	T343-E345 VanDerWaalsContact C-N 3.26Å; T343-E345 WeakPolarHBondContact CB-OE2 3.32Å; T343-E345 PolarHBondContact O-N 3.42Å; T343-E345 PolarHBondContact OG1-N 3.43Å; T343-E345 PolarHBondContact OG1-OE2 3.43Å; T343-K346 PolarHBondContact O-N 3.45Å; T343-K346 VanDerWaalsContact O-N 3.16Å; T343-K346 PolarHBondContact OG1-N 2.97Å; T343-L347 PolarHBondContact O-N 2.88Å
344	I	93.6	Very high	92.6	Very high	37 Å²	37	62.4 Å²	62.4	19%	0.19	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-32.3	176.3	-168.3	158.5	0	0	0	112.4	L347 S348 W356 N357 F360 I377	I344-L347 PolarHBondContact O-N 3.39Å; I344-S348 WeakPolarHBondContact O-CB 3.33Å; I344-S348 PolarHBondContact O-N 3.32Å; I344-S348 PolarHBondContact O-OG 3.32Å; I344-W356 HydrophobicContact CD1-CB 4.49Å; I344-W356 HydrophobicContact CG1-CB 4.31Å; I344-N357 WeakPolarHBondContact CD1-OD1 3.13Å; I344-F360 HydrophobicContact CD1-CD2 4.01Å; I344-F360 HydrophobicContact CD1-CE2 4.16Å; I344-I377 HydrophobicContact CB-CD1 4Å; I344-I377 HydrophobicContact CG1-CD1 4.44Å
345	E	94.6	Very high	93.1	Very high	120 Å²	120	60.3 Å²	60.3	56%	0.561	35%	0.351	S	S	*	.	H	α-helix	trans	-64	-45.5	173.6	-58.4	72.4	-155.4	0	0	109.7	T343 L347 S348 E349	T343-E345 VanDerWaalsContact C-N 3.26Å; T343-E345 WeakPolarHBondContact CB-OE2 3.32Å; T343-E345 PolarHBondContact O-N 3.42Å; T343-E345 PolarHBondContact OG1-N 3.43Å; T343-E345 PolarHBondContact OG1-OE2 3.43Å; E345-L347 PolarHBondContact O-N 3.14Å; E345-S348 CarbonylContact O-C 3.59Å; E345-S348 WeakPolarHBondContact O-CB 3.49Å; E345-S348 PolarHBondContact O-N 3.16Å; E345-S348 VanDerWaalsContact O-N 3.17Å; E345-E349 WeakPolarHBondContact O-CG 3.33Å; E345-E349 PolarHBondContact O-N 2.82Å
346	K	95.4	Very high	93.9	Very high	75 Å²	75	55.9 Å²	55.9	33%	0.326	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-37.4	178.6	-175.6	58.8	178.5	-178.8	0	112.3	V342 T343 S348 E349 I350	V342-K346 HydrophobicContact CB-CB 4.08Å; V342-K346 HydrophobicContact CB-CG 4.08Å; V342-K346 HydrophobicContact CG1-CG 4.07Å; T343-K346 PolarHBondContact O-N 3.45Å; T343-K346 VanDerWaalsContact O-N 3.16Å; T343-K346 PolarHBondContact OG1-N 2.97Å; K346-S348 VanDerWaalsContact C-N 3.31Å; K346-E349 HydrophobicContact CD-CB 4.42Å; K346-E349 WeakPolarHBondContact CD-OE2 3.45Å; K346-E349 IonicContact NZ-OE2 2.73Å; K346-E349 PolarHBondContact NZ-OE2 3.39Å; K346-E349 WeakPolarHBondContact O-CB 3.45Å; K346-E349 PolarHBondContact O-N 3Å; K346-I350 HydrophobicContact CG-CD1 4.37Å; K346-I350 VanDerWaalsContact O-CG1 3.29Å; K346-I350 WeakPolarHBondContact O-CG1 3.48Å; K346-I350 PolarHBondContact O-N 3.22Å
347	L	96.3	Very high	94.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-41.1	172.4	-178.9	61.9	0	0	0	111.5	I275 V342 T343 I344 E345 E349 I350 C351 W356 F360 I377 V379	I275-L347 HydrophobicContact CG1-CD2 4.35Å; V342-L347 HydrophobicContact CG2-CB 4.19Å; T343-L347 PolarHBondContact O-N 2.88Å; I344-L347 PolarHBondContact O-N 3.39Å; E345-L347 PolarHBondContact O-N 3.14Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.06Å; L347-I350 PolarHBondContact O-N 3.01Å; L347-I350 VanDerWaalsContact O-N 3.14Å; L347-C351 PolarHBondContact O-N 3.45Å; L347-W356 HydrophobicContact CD1-CD2 4.4Å; L347-W356 HydrophobicContact CD1-CH2 4.22Å; L347-W356 HydrophobicContact CD1-CZ2 3.85Å; L347-W356 HydrophobicContact CD2-CB 4.31Å; L347-W356 HydrophobicContact CD2-CD2 3.43Å; L347-W356 VanDerWaalsContact CD2-CD2 3.43Å; L347-W356 HydrophobicContact CD2-CE3 3.56Å; L347-W356 HydrophobicContact CD2-CG 3.77Å; L347-W356 HydrophobicContact CD2-CH2 4.41Å; L347-W356 HydrophobicContact CD2-CZ2 4.32Å; L347-W356 HydrophobicContact CD2-CZ3 4.06Å; L347-W356 HydrophobicContact CG-CD2 3.67Å; L347-W356 HydrophobicContact CG-CE3 4.22Å; L347-W356 HydrophobicContact CG-CG 3.92Å; L347-W356 HydrophobicContact CG-CH2 4.49Å; L347-W356 HydrophobicContact CG-CZ2 4Å; L347-W356 PolarHBondContact O-NE1 3.25Å; L347-F360 HydrophobicContact CD2-CE2 4.22Å; L347-F360 HydrophobicContact CD2-CZ 3.83Å; L347-I377 HydrophobicContact CD2-CD1 4.18Å; L347-I377 HydrophobicContact CD2-CG2 3.92Å; L347-V379 HydrophobicContact CD1-CG2 3.81Å
348	S	96.5	Very high	94.7	Very high	37 Å²	37	56.7 Å²	56.7	26%	0.259	31%	0.308	S	S	.	.	H	α-helix	trans	-66.5	-31.9	175.5	-55.6	0	0	0	0	112.5	I344 E345 K346 C351 P352	I344-S348 WeakPolarHBondContact O-CB 3.33Å; I344-S348 PolarHBondContact O-N 3.32Å; I344-S348 PolarHBondContact O-OG 3.32Å; E345-S348 CarbonylContact O-C 3.59Å; E345-S348 WeakPolarHBondContact O-CB 3.49Å; E345-S348 PolarHBondContact O-N 3.16Å; E345-S348 VanDerWaalsContact O-N 3.17Å; K346-S348 VanDerWaalsContact C-N 3.31Å; S348-C351 CarbonylContact O-C 3.35Å; S348-P352 WeakPolarHBondContact O-CA 3.46Å; S348-P352 WeakPolarHBondContact O-CB 3.46Å; S348-P352 VanDerWaalsContact O-N 3.16Å
349	E	96.2	Very high	95	Very high	123 Å²	123	54.3 Å²	54.3	58%	0.575	29%	0.292	S	S	*	.	H	α-helix	trans	-68.7	-36.5	169.5	-69.8	177.3	-173	0	0	112.7	E345 K346 L347	E345-E349 WeakPolarHBondContact O-CG 3.33Å; E345-E349 PolarHBondContact O-N 2.82Å; K346-E349 HydrophobicContact CD-CB 4.42Å; K346-E349 WeakPolarHBondContact CD-OE2 3.45Å; K346-E349 IonicContact NZ-OE2 2.73Å; K346-E349 PolarHBondContact NZ-OE2 3.39Å; K346-E349 WeakPolarHBondContact O-CB 3.45Å; K346-E349 PolarHBondContact O-N 3Å; L347-E349 VanDerWaalsContact C-N 3.32Å; L347-E349 PolarHBondContact O-N 3.06Å
350	I	96.2	Very high	95.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-42.8	-179.9	-69.2	162.5	0	0	0	110.7	V342 K346 L347 Q382 L385 R386	V342-I350 HydrophobicContact CG1-CD1 4.43Å; K346-I350 HydrophobicContact CG-CD1 4.37Å; K346-I350 VanDerWaalsContact O-CG1 3.29Å; K346-I350 WeakPolarHBondContact O-CG1 3.48Å; K346-I350 PolarHBondContact O-N 3.22Å; L347-I350 PolarHBondContact O-N 3.01Å; L347-I350 VanDerWaalsContact O-N 3.14Å; I350-Q382 HydrophobicContact CD1-CB 4.35Å; I350-Q382 HydrophobicContact CD1-CG 4.03Å; I350-L385 HydrophobicContact CG2-CB 4.32Å; I350-L385 HydrophobicContact CG2-CD2 3.92Å; I350-L385 HydrophobicContact CG2-CG 4.06Å; I350-R386 HydrophobicContact CG2-CB 4.38Å
351	C	97	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.			trans	-140	93.9	174.4	-173	0	0	0	0	111.6	L347 S348 L353 W356 C389	L347-C351 PolarHBondContact O-N 3.45Å; S348-C351 CarbonylContact O-C 3.35Å; C351-L353 VanDerWaalsContact C-N 3.27Å; C351-L353 PolarHBondContact O-N 2.95Å; C351-W356 HydrophobicContact CB-CZ2 4.21Å; C351-W356 PolarHBondContact O-NE1 3.25Å; C351-W356 VanDerWaalsContact O-NE1 3.07Å; C351-C389 WeakPolarHBondContact CA-SG 3.39Å; C351-C389 HydrophobicContact CB-CB 3.65Å; C351-C389 WeakPolarHBondContact CB-SG 3.11Å; C351-C389 WeakPolarHBondContact SG-CB 3.41Å; C351-C389 CovalentContact SG-SG 2.04Å; C351-C389 PolarHBondContact SG-SG 3.25Å
352	P	95.5	Very high	95.1	Very high	98 Å²	98	47.4 Å²	47.4	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.5	-176.4	29.3	-35.5	0	0	0	113.9	S348 I354	S348-P352 WeakPolarHBondContact O-CA 3.46Å; S348-P352 WeakPolarHBondContact O-CB 3.46Å; S348-P352 VanDerWaalsContact O-N 3.16Å; P352-I354 PolarHBondContact O-N 3.48Å
353	L	93.8	Very high	95	Very high	47 Å²	47	46.4 Å²	46.4	25%	0.246	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.6	177.6	-64.6	178.2	0	0	0	113.6	L244 C351 C389 H392 A393	L244-L353 HydrophobicContact CD1-CB 4.2Å; L244-L353 HydrophobicContact CD1-CD1 3.9Å; C351-L353 VanDerWaalsContact C-N 3.27Å; C351-L353 PolarHBondContact O-N 2.95Å; L353-C389 VanDerWaalsContact CD1-O 3.32Å; L353-C389 WeakPolarHBondContact CD1-O 3.25Å; L353-H392 HydrophobicContact CD1-CB 3.68Å; L353-A393 HydrophobicContact CD1-CB 3.79Å; L353-A393 VanDerWaalsContact CD1-N 3.25Å; L353-A393 HydrophobicContact CD2-CB 3.94Å; L353-A393 HydrophobicContact CG-CB 4.16Å
354	I	96.2	Very high	94.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-105.1	119	-179.3	-55.7	-56.9	0	0	0	108.1	L244 F248 L260 F261 P352 W356 L359	L244-I354 HydrophobicContact CB-CD1 3.94Å; F248-I354 HydrophobicContact CD2-CD1 3.98Å; F248-I354 HydrophobicContact CE2-CD1 4.26Å; L260-I354 HydrophobicContact CD2-CD1 3.73Å; L260-I354 HydrophobicContact CD2-CG1 3.49Å; L260-I354 VanDerWaalsContact CD2-CG1 3.49Å; F261-I354 HydrophobicContact CE1-CD1 4.26Å; F261-I354 HydrophobicContact CE1-CG1 4.14Å; F261-I354 HydrophobicContact CE1-CG2 4.47Å; P352-I354 PolarHBondContact O-N 3.48Å; I354-W356 VanDerWaalsContact C-N 3.3Å; I354-W356 HydrophobicContact CB-CD2 4.23Å; I354-W356 HydrophobicContact CB-CZ2 4.08Å; I354-W356 HydrophobicContact CG1-CZ2 4.38Å; I354-W356 HydrophobicContact CG2-CD2 3.81Å; I354-W356 HydrophobicContact CG2-CE3 4.02Å; I354-W356 HydrophobicContact CG2-CG 4.25Å; I354-W356 HydrophobicContact CG2-CH2 4.45Å; I354-W356 HydrophobicContact CG2-CZ2 4.25Å; I354-W356 HydrophobicContact CG2-CZ3 4.34Å; I354-W356 PolarHBondContact O-N 3.07Å; I354-W356 PolarHBondContact O-NE1 3.4Å; I354-L359 HydrophobicContact CG2-CD2 4.14Å
355	D	95.5	Very high	94.8	Very high	79 Å²	79	47.8 Å²	47.8	42%	0.422	24%	0.241	S	C	.	.			trans	-71.3	89.9	163.4	-169.5	-29.2	0	0	0	109.2	T245 N357 V358 L359	T245-D355 PolarHBondContact OG1-N 3.09Å; D355-N357 VanDerWaalsContact C-N 3.29Å; D355-N357 PolarHBondContact O-N 2.87Å; D355-N357 PolarHBondContact OD1-N 3.1Å; D355-V358 HydrophobicContact CB-CB 4.08Å; D355-V358 HydrophobicContact CB-CG2 4.31Å; D355-V358 PolarHBondContact O-N 3.45Å; D355-V358 WeakPolarHBondContact OD1-CG2 3.4Å; D355-V358 PolarHBondContact OD1-N 3.05Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.41Å; D355-L359 WeakPolarHBondContact O-CB 3.43Å; D355-L359 PolarHBondContact O-N 3.29Å
356	W	95.8	Very high	94.5	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-33.4	-177	-65.1	100.6	0	0	0	112.8	F261 I275 I344 L347 C351 I354 L359 F360	F261-W356 HydrophobicContact CD1-CH2 4.02Å; F261-W356 HydrophobicContact CD2-CH2 4.01Å; F261-W356 HydrophobicContact CD2-CZ3 4.05Å; F261-W356 HydrophobicContact CE1-CH2 4.22Å; F261-W356 HydrophobicContact CE1-CZ3 4.46Å; F261-W356 HydrophobicContact CE2-CH2 4.22Å; F261-W356 AromaticContact CE2-CZ3 3.9Å; F261-W356 HydrophobicContact CE2-CZ3 3.9Å; F261-W356 AromaticContact CG-CH2 3.93Å; F261-W356 HydrophobicContact CG-CH2 3.93Å; F261-W356 HydrophobicContact CG-CZ3 4.41Å; F261-W356 HydrophobicContact CZ-CH2 4.33Å; F261-W356 HydrophobicContact CZ-CZ3 4.12Å; I275-W356 HydrophobicContact CD1-CZ3 3.9Å; I275-W356 HydrophobicContact CG1-CZ3 4.34Å; I275-W356 HydrophobicContact CG2-CH2 4.03Å; I275-W356 HydrophobicContact CG2-CZ3 4.44Å; I344-W356 HydrophobicContact CD1-CB 4.49Å; I344-W356 HydrophobicContact CG1-CB 4.31Å; L347-W356 HydrophobicContact CD1-CD2 4.4Å; L347-W356 HydrophobicContact CD1-CH2 4.22Å; L347-W356 HydrophobicContact CD1-CZ2 3.85Å; L347-W356 HydrophobicContact CD2-CB 4.31Å; L347-W356 HydrophobicContact CD2-CD2 3.43Å; L347-W356 VanDerWaalsContact CD2-CD2 3.43Å; L347-W356 HydrophobicContact CD2-CE3 3.56Å; L347-W356 HydrophobicContact CD2-CG 3.77Å; L347-W356 HydrophobicContact CD2-CH2 4.41Å; L347-W356 HydrophobicContact CD2-CZ2 4.32Å; L347-W356 HydrophobicContact CD2-CZ3 4.06Å; L347-W356 HydrophobicContact CG-CD2 3.67Å; L347-W356 HydrophobicContact CG-CE3 4.22Å; L347-W356 HydrophobicContact CG-CG 3.92Å; L347-W356 HydrophobicContact CG-CH2 4.49Å; L347-W356 HydrophobicContact CG-CZ2 4Å; L347-W356 PolarHBondContact O-NE1 3.25Å; C351-W356 HydrophobicContact CB-CZ2 4.21Å; C351-W356 PolarHBondContact O-NE1 3.25Å; C351-W356 VanDerWaalsContact O-NE1 3.07Å; I354-W356 VanDerWaalsContact C-N 3.3Å; I354-W356 HydrophobicContact CB-CD2 4.23Å; I354-W356 HydrophobicContact CB-CZ2 4.08Å; I354-W356 HydrophobicContact CG1-CZ2 4.38Å; I354-W356 HydrophobicContact CG2-CD2 3.81Å; I354-W356 HydrophobicContact CG2-CE3 4.02Å; I354-W356 HydrophobicContact CG2-CG 4.25Å; I354-W356 HydrophobicContact CG2-CH2 4.45Å; I354-W356 HydrophobicContact CG2-CZ2 4.25Å; I354-W356 HydrophobicContact CG2-CZ3 4.34Å; I354-W356 PolarHBondContact O-N 3.07Å; I354-W356 PolarHBondContact O-NE1 3.4Å; W356-L359 HydrophobicContact CE3-CD2 3.94Å; W356-L359 HydrophobicContact CZ3-CD2 4.04Å; W356-L359 PolarHBondContact O-N 3.46Å; W356-F360 HydrophobicContact CB-CE2 4.37Å; W356-F360 AromaticContact CE3-CE1 3.88Å; W356-F360 HydrophobicContact CE3-CE1 3.88Å; W356-F360 AromaticContact CE3-CZ 3.81Å; W356-F360 HydrophobicContact CE3-CZ 3.81Å; W356-F360 HydrophobicContact CZ3-CE1 4.39Å; W356-F360 HydrophobicContact CZ3-CZ 4.47Å; W356-F360 WeakPolarHBondContact O-CB 2.98Å; W356-F360 WeakPolarHBondContact O-CD2 3.31Å; W356-F360 WeakPolarHBondContact O-CG 3.18Å; W356-F360 PolarHBondContact O-N 2.9Å
357	N	93.6	Very high	94	Very high	93 Å²	93	41.4 Å²	41.4	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-51.3	176.3	-78.6	-60.3	0	0	0	110.7	I344 D355 L359 F360 E361	I344-N357 WeakPolarHBondContact CD1-OD1 3.13Å; D355-N357 VanDerWaalsContact C-N 3.29Å; D355-N357 PolarHBondContact O-N 2.87Å; D355-N357 PolarHBondContact OD1-N 3.1Å; N357-L359 VanDerWaalsContact C-N 3.3Å; N357-L359 PolarHBondContact O-N 3.31Å; N357-F360 PolarHBondContact O-N 2.88Å; N357-E361 VanDerWaalsContact O-CB 3.24Å; N357-E361 WeakPolarHBondContact O-CB 3.1Å; N357-E361 PolarHBondContact O-N 2.84Å
358	V	94	Very high	93.4	Very high	66 Å²	66	50.4 Å²	50.4	40%	0.4	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-37.8	178.1	172	0	0	0	0	111.3	T245 D355 S362	T245-V358 HydrophobicContact CG2-CG1 4.39Å; D355-V358 HydrophobicContact CB-CB 4.08Å; D355-V358 HydrophobicContact CB-CG2 4.31Å; D355-V358 PolarHBondContact O-N 3.45Å; D355-V358 WeakPolarHBondContact OD1-CG2 3.4Å; D355-V358 PolarHBondContact OD1-N 3.05Å; D355-V358 WeakPolarHBondContact OD2-CG2 3.41Å; V358-S362 VanDerWaalsContact O-CB 3.28Å; V358-S362 WeakPolarHBondContact O-CB 3.42Å; V358-S362 PolarHBondContact O-N 2.82Å; V358-S362 PolarHBondContact O-OG 3.12Å
359	L	95.4	Very high	92.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-54.2	177	-171.9	78	0	0	0	111.3	T245 L249 L252 F261 I354 D355 W356 N357 S362 I363	T245-L359 HydrophobicContact CG2-CB 4.04Å; T245-L359 HydrophobicContact CG2-CD1 4.02Å; L249-L359 HydrophobicContact CD1-CD1 4.32Å; L252-L359 HydrophobicContact CD2-CD1 3.77Å; L252-L359 HydrophobicContact CD2-CD2 3.97Å; L252-L359 HydrophobicContact CD2-CG 4.09Å; F261-L359 HydrophobicContact CE2-CD2 3.83Å; F261-L359 HydrophobicContact CZ-CD2 3.49Å; F261-L359 VanDerWaalsContact CZ-CD2 3.49Å; I354-L359 HydrophobicContact CG2-CD2 4.14Å; D355-L359 WeakPolarHBondContact O-CB 3.43Å; D355-L359 PolarHBondContact O-N 3.29Å; W356-L359 HydrophobicContact CE3-CD2 3.94Å; W356-L359 HydrophobicContact CZ3-CD2 4.04Å; W356-L359 PolarHBondContact O-N 3.46Å; N357-L359 VanDerWaalsContact C-N 3.3Å; N357-L359 PolarHBondContact O-N 3.31Å; L359-S362 PolarHBondContact O-N 3.17Å; L359-I363 HydrophobicContact CG-CD1 4.32Å; L359-I363 WeakPolarHBondContact O-CG1 3.31Å; L359-I363 PolarHBondContact O-N 3.14Å; L359-I363 VanDerWaalsContact O-N 3.11Å
360	F	95.1	Very high	92.1	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-44.9	-179.3	-64.5	-19.1	0	0	0	111.1	L263 I273 I275 I344 L347 W356 N357 S362 I363 F364 Y372 I377	L263-F360 HydrophobicContact CD1-CD1 4.02Å; L263-F360 HydrophobicContact CD1-CE1 3.62Å; I273-F360 HydrophobicContact CD1-CD2 4.31Å; I273-F360 HydrophobicContact CD1-CE2 4.27Å; I273-F360 HydrophobicContact CD1-CZ 4.46Å; I273-F360 HydrophobicContact CG2-CE1 4.15Å; I273-F360 HydrophobicContact CG2-CZ 4.1Å; I275-F360 HydrophobicContact CD1-CE1 4.33Å; I275-F360 HydrophobicContact CD1-CZ 4.42Å; I344-F360 HydrophobicContact CD1-CD2 4.01Å; I344-F360 HydrophobicContact CD1-CE2 4.16Å; L347-F360 HydrophobicContact CD2-CE2 4.22Å; L347-F360 HydrophobicContact CD2-CZ 3.83Å; W356-F360 HydrophobicContact CB-CE2 4.37Å; W356-F360 AromaticContact CE3-CE1 3.88Å; W356-F360 HydrophobicContact CE3-CE1 3.88Å; W356-F360 AromaticContact CE3-CZ 3.81Å; W356-F360 HydrophobicContact CE3-CZ 3.81Å; W356-F360 HydrophobicContact CZ3-CE1 4.39Å; W356-F360 HydrophobicContact CZ3-CZ 4.47Å; W356-F360 WeakPolarHBondContact O-CB 2.98Å; W356-F360 WeakPolarHBondContact O-CD2 3.31Å; W356-F360 WeakPolarHBondContact O-CG 3.18Å; W356-F360 PolarHBondContact O-N 2.9Å; N357-F360 PolarHBondContact O-N 2.88Å; F360-S362 PolarHBondContact O-N 3.1Å; F360-I363 PolarHBondContact O-N 3.3Å; F360-I363 VanDerWaalsContact O-N 3.13Å; F360-F364 HydrophobicContact CB-CD2 4.16Å; F360-F364 HydrophobicContact CB-CE2 4.38Å; F360-F364 WeakPolarHBondContact O-CB 3.43Å; F360-F364 VanDerWaalsContact O-CD2 3.23Å; F360-F364 WeakPolarHBondContact O-CD2 3.5Å; F360-F364 PolarHBondContact O-N 3.21Å; F360-Y372 HydrophobicContact CB-CD2 4.07Å; F360-Y372 HydrophobicContact CB-CE2 3.73Å; F360-I377 HydrophobicContact CE2-CD1 3.87Å; F360-I377 HydrophobicContact CZ-CD1 4.49Å
361	E	93.8	Very high	91.5	Very high	95 Å²	95	58 Å²	58	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-56	-41.8	174.6	-171.5	-174.1	149.5	0	0	111.6	N357 I363 R365 Y372	N357-E361 VanDerWaalsContact O-CB 3.24Å; N357-E361 WeakPolarHBondContact O-CB 3.1Å; N357-E361 PolarHBondContact O-N 2.84Å; E361-I363 PolarHBondContact O-N 3.11Å; E361-R365 WeakPolarHBondContact O-CB 3.46Å; E361-R365 PolarHBondContact O-N 3Å; E361-R365 IonicContact OE1-NH1 2.71Å; E361-Y372 VanDerWaalsContact CA-OH 3.28Å; E361-Y372 WeakPolarHBondContact CA-OH 3.43Å; E361-Y372 WeakPolarHBondContact CB-OH 3.48Å
362	S	93.1	Very high	91.1	Very high	14 Å²	14	59.2 Å²	59.2	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-37.6	178.9	-62.5	0	0	0	0	112.9	V358 L359 F360 E366	V358-S362 VanDerWaalsContact O-CB 3.28Å; V358-S362 WeakPolarHBondContact O-CB 3.42Å; V358-S362 PolarHBondContact O-N 2.82Å; V358-S362 PolarHBondContact O-OG 3.12Å; L359-S362 PolarHBondContact O-N 3.17Å; F360-S362 PolarHBondContact O-N 3.1Å; S362-E366 WeakPolarHBondContact O-CG 3.4Å
363	I	93	Very high	90.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-74.4	-50.6	177.9	-62.4	167.1	0	0	0	110.7	L249 L252 L263 L359 F360 E361 R365 E366 F548 L549 I552	L249-I363 HydrophobicContact CD1-CG1 4.47Å; L252-I363 HydrophobicContact CD2-CD1 3.63Å; L252-I363 HydrophobicContact CG-CD1 4.5Å; L263-I363 HydrophobicContact CD1-CD1 3.91Å; L359-I363 HydrophobicContact CG-CD1 4.32Å; L359-I363 WeakPolarHBondContact O-CG1 3.31Å; L359-I363 PolarHBondContact O-N 3.14Å; L359-I363 VanDerWaalsContact O-N 3.11Å; F360-I363 PolarHBondContact O-N 3.3Å; F360-I363 VanDerWaalsContact O-N 3.13Å; E361-I363 PolarHBondContact O-N 3.11Å; I363-R365 VanDerWaalsContact C-N 3.31Å; I363-R365 PolarHBondContact O-N 3.45Å; I363-E366 WeakPolarHBondContact O-CB 3.21Å; I363-E366 PolarHBondContact O-N 3.14Å; I363-E366 VanDerWaalsContact O-N 3.16Å; I363-F548 HydrophobicContact CG2-CE1 4.46Å; I363-L549 HydrophobicContact CG2-CD2 4.5Å; I363-I552 HydrophobicContact CG2-CD1 3.71Å
364	F	92.1	Very high	90.3	Very high	3 Å²	3	67 Å²	67	1%	0.013	32%	0.323	C	S	.	.	H	α-helix	trans	-74	-21.7	-174.2	-74.7	-75.1	0	0	0	113.4	L265 I273 F360 E366 L367 K368 Y369 Y372 M375 I552	L265-F364 HydrophobicContact CD1-CZ 4.49Å; I273-F364 HydrophobicContact CD1-CE2 3.76Å; I273-F364 HydrophobicContact CD1-CZ 3.97Å; I273-F364 HydrophobicContact CG1-CE2 4.41Å; I273-F364 HydrophobicContact CG1-CZ 4.17Å; F360-F364 HydrophobicContact CB-CD2 4.16Å; F360-F364 HydrophobicContact CB-CE2 4.38Å; F360-F364 WeakPolarHBondContact O-CB 3.43Å; F360-F364 VanDerWaalsContact O-CD2 3.23Å; F360-F364 WeakPolarHBondContact O-CD2 3.5Å; F360-F364 PolarHBondContact O-N 3.21Å; F364-E366 VanDerWaalsContact C-N 3.33Å; F364-L367 HydrophobicContact CD1-CD1 3.83Å; F364-L367 HydrophobicContact CE1-CD1 4.17Å; F364-L367 CarbonylContact O-C 3.54Å; F364-L367 PolarHBondContact O-N 2.8Å; F364-K368 PolarHBondContact O-N 3.37Å; F364-Y369 AromaticContact CD1-CD1 4Å; F364-Y369 HydrophobicContact CD1-CD1 4Å; F364-Y369 HydrophobicContact CE1-CD1 4.33Å; F364-Y369 PolarHBondContact O-N 3.3Å; F364-Y369 VanDerWaalsContact O-N 3.08Å; F364-Y372 HydrophobicContact CB-CD1 3.44Å; F364-Y372 VanDerWaalsContact CB-CD1 3.44Å; F364-Y372 HydrophobicContact CB-CD2 4.32Å; F364-Y372 HydrophobicContact CB-CE1 3.71Å; F364-Y372 HydrophobicContact CB-CG 3.77Å; F364-Y372 HydrophobicContact CD1-CD1 4.28Å; F364-Y372 AromaticContact CD1-CG 3.99Å; F364-Y372 HydrophobicContact CD1-CG 3.99Å; F364-Y372 AromaticContact CD2-CD1 3.96Å; F364-Y372 HydrophobicContact CD2-CD1 3.96Å; F364-Y372 AromaticContact CD2-CD2 3.33Å; F364-Y372 HydrophobicContact CD2-CD2 3.33Å; F364-Y372 AromaticContact CD2-CE2 3.97Å; F364-Y372 HydrophobicContact CD2-CE2 3.97Å; F364-Y372 AromaticContact CD2-CG 3.32Å; F364-Y372 HydrophobicContact CD2-CG 3.32Å; F364-Y372 HydrophobicContact CE1-CG 4.43Å; F364-Y372 AromaticContact CE2-CD2 3.77Å; F364-Y372 HydrophobicContact CE2-CD2 3.77Å; F364-Y372 AromaticContact CE2-CG 3.85Å; F364-Y372 HydrophobicContact CE2-CG 3.85Å; F364-Y372 AromaticContact CG-CD1 3.65Å; F364-Y372 HydrophobicContact CG-CD1 3.65Å; F364-Y372 AromaticContact CG-CD2 3.93Å; F364-Y372 HydrophobicContact CG-CD2 3.93Å; F364-Y372 HydrophobicContact CG-CE1 4.3Å; F364-Y372 AromaticContact CG-CG 3.42Å; F364-Y372 HydrophobicContact CG-CG 3.42Å; F364-Y372 VanDerWaalsContact CG-CG 3.42Å; F364-Y372 HydrophobicContact CZ-CG 4.37Å; F364-M375 HydrophobicContact CE1-SD 4.3Å; F364-M375 HydrophobicContact CZ-SD 4.09Å; F364-I552 HydrophobicContact CE1-CG2 4.35Å
365	R	91	Very high	90	Very high	143 Å²	143	68 Å²	68	54%	0.54	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-37.3	168.4	-177.5	176.3	64	-127.6	-5.9	112.2	E361 I363 L367 K368	E361-R365 WeakPolarHBondContact O-CB 3.46Å; E361-R365 PolarHBondContact O-N 3Å; E361-R365 IonicContact OE1-NH1 2.71Å; I363-R365 VanDerWaalsContact C-N 3.31Å; I363-R365 PolarHBondContact O-N 3.45Å; R365-L367 PolarHBondContact O-N 3.05Å; R365-K368 PolarHBondContact O-N 3.43Å; R365-K368 VanDerWaalsContact O-N 3.14Å
366	E	88.7	Confident	89.9	Confident	48 Å²	48	68.2 Å²	68.2	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-33.3	174.1	-61	-77.8	170.9	0	0	111.3	S362 I363 F364 K368 K545 L549	S362-E366 WeakPolarHBondContact O-CG 3.4Å; I363-E366 WeakPolarHBondContact O-CB 3.21Å; I363-E366 PolarHBondContact O-N 3.14Å; I363-E366 VanDerWaalsContact O-N 3.16Å; F364-E366 VanDerWaalsContact C-N 3.33Å; E366-K368 VanDerWaalsContact C-N 3.33Å; E366-K545 VanDerWaalsContact CD-CE 3.43Å; E366-K545 IonicContact OE1-NZ 3.36Å; E366-K545 PolarHBondContact OE1-NZ 2.96Å; E366-K545 WeakPolarHBondContact OE2-CE 3.5Å; E366-K545 IonicContact OE2-NZ 3.79Å; E366-K545 PolarHBondContact OE2-NZ 2.95Å; E366-L549 HydrophobicContact CB-CD1 3.82Å; E366-L549 HydrophobicContact CB-CD2 3.93Å
367	L	85.3	Confident	89.9	Confident	13 Å²	13	68.6 Å²	68.6	7%	0.068	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.6	177	-60.1	173.4	0	0	0	113.6	F364 R365 Y369 F525 L549 I552	F364-L367 HydrophobicContact CD1-CD1 3.83Å; F364-L367 HydrophobicContact CE1-CD1 4.17Å; F364-L367 CarbonylContact O-C 3.54Å; F364-L367 PolarHBondContact O-N 2.8Å; R365-L367 PolarHBondContact O-N 3.05Å; L367-Y369 PolarHBondContact O-N 3.37Å; L367-F525 HydrophobicContact CD2-CD1 4.39Å; L367-F525 HydrophobicContact CD2-CE1 3.63Å; L367-F525 HydrophobicContact CD2-CE2 3.85Å; L367-F525 HydrophobicContact CD2-CZ 3.31Å; L367-L549 HydrophobicContact CD2-CB 3.83Å; L367-L549 HydrophobicContact CD2-CD2 3.8Å; L367-L549 HydrophobicContact CD2-CG 4.34Å; L367-L549 HydrophobicContact CG-CD2 4.05Å; L367-I552 HydrophobicContact CD1-CB 4.04Å; L367-I552 HydrophobicContact CD1-CG2 3.45Å; L367-I552 VanDerWaalsContact CD1-CG2 3.45Å
368	K	84.7	Confident	90	Very high	188 Å²	188	65.2 Å²	65.2	82%	0.817	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	35.7	-168.6	-57.4	178.4	-178	172.6	0	112.8	F364 R365 E366	F364-K368 PolarHBondContact O-N 3.37Å; R365-K368 PolarHBondContact O-N 3.43Å; R365-K368 VanDerWaalsContact O-N 3.14Å; E366-K368 VanDerWaalsContact C-N 3.33Å
369	Y	84.4	Confident	90.1	Very high	73 Å²	73	62 Å²	62	29%	0.286	29%	0.291	S	S	.	.			trans	-112.4	110.3	-175.5	-173.6	-90.5	0	0	0	109.9	F364 L367 Y372 M375 L556	F364-Y369 AromaticContact CD1-CD1 4Å; F364-Y369 HydrophobicContact CD1-CD1 4Å; F364-Y369 HydrophobicContact CE1-CD1 4.33Å; F364-Y369 PolarHBondContact O-N 3.3Å; F364-Y369 VanDerWaalsContact O-N 3.08Å; L367-Y369 PolarHBondContact O-N 3.37Å; Y369-Y372 WeakPolarHBondContact O-CD1 3.41Å; Y369-M375 HydrophobicContact CD1-CE 4.18Å; Y369-M375 HydrophobicContact CE1-CE 3.26Å; Y369-L556 HydrophobicContact CD1-CD1 4.21Å; Y369-L556 HydrophobicContact CD2-CD1 3.95Å; Y369-L556 HydrophobicContact CE1-CD1 4.46Å; Y369-L556 HydrophobicContact CE1-CD2 4.11Å; Y369-L556 HydrophobicContact CE2-CD1 4.19Å; Y369-L556 HydrophobicContact CE2-CD2 4.31Å; Y369-L556 HydrophobicContact CG-CD1 3.94Å
370	E	80.8	Confident	90.1	Very high	171 Å²	171	64.2 Å²	64.2	80%	0.799	30%	0.301	S	S	*	.			trans	-92.3	-22.1	-173.1	-63.8	-171.8	171	0	0	114.1	Y372	E370-Y372 WeakPolarHBondContact O-CD1 3.49Å; E370-Y372 PolarHBondContact O-N 3.36Å; E370-Y372 VanDerWaalsContact O-N 3.08Å
371	S	83.6	Confident	90	Very high	76 Å²	76	64.9 Å²	64.9	53%	0.531	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-74.1	3	-174.4	-56.8	0	0	0	0	114.6	K373 N374	S371-K373 PolarHBondContact O-N 2.97Å; S371-N374 PolarHBondContact O-N 2.85Å
372	Y	88	Confident	90.1	Very high	26 Å²	26	62 Å²	62	10%	0.102	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.6	-22.2	-178.6	72.1	-82.1	0	0	0	113.5	F360 E361 F364 Y369 E370 N374 M375	F360-Y372 HydrophobicContact CB-CD2 4.07Å; F360-Y372 HydrophobicContact CB-CE2 3.73Å; E361-Y372 VanDerWaalsContact CA-OH 3.28Å; E361-Y372 WeakPolarHBondContact CA-OH 3.43Å; E361-Y372 WeakPolarHBondContact CB-OH 3.48Å; F364-Y372 HydrophobicContact CB-CD1 3.44Å; F364-Y372 VanDerWaalsContact CB-CD1 3.44Å; F364-Y372 HydrophobicContact CB-CD2 4.32Å; F364-Y372 HydrophobicContact CB-CE1 3.71Å; F364-Y372 HydrophobicContact CB-CG 3.77Å; F364-Y372 HydrophobicContact CD1-CD1 4.28Å; F364-Y372 AromaticContact CD1-CG 3.99Å; F364-Y372 HydrophobicContact CD1-CG 3.99Å; F364-Y372 AromaticContact CD2-CD1 3.96Å; F364-Y372 HydrophobicContact CD2-CD1 3.96Å; F364-Y372 AromaticContact CD2-CD2 3.33Å; F364-Y372 HydrophobicContact CD2-CD2 3.33Å; F364-Y372 AromaticContact CD2-CE2 3.97Å; F364-Y372 HydrophobicContact CD2-CE2 3.97Å; F364-Y372 AromaticContact CD2-CG 3.32Å; F364-Y372 HydrophobicContact CD2-CG 3.32Å; F364-Y372 HydrophobicContact CE1-CG 4.43Å; F364-Y372 AromaticContact CE2-CD2 3.77Å; F364-Y372 HydrophobicContact CE2-CD2 3.77Å; F364-Y372 AromaticContact CE2-CG 3.85Å; F364-Y372 HydrophobicContact CE2-CG 3.85Å; F364-Y372 AromaticContact CG-CD1 3.65Å; F364-Y372 HydrophobicContact CG-CD1 3.65Å; F364-Y372 AromaticContact CG-CD2 3.93Å; F364-Y372 HydrophobicContact CG-CD2 3.93Å; F364-Y372 HydrophobicContact CG-CE1 4.3Å; F364-Y372 AromaticContact CG-CG 3.42Å; F364-Y372 HydrophobicContact CG-CG 3.42Å; F364-Y372 VanDerWaalsContact CG-CG 3.42Å; F364-Y372 HydrophobicContact CZ-CG 4.37Å; Y369-Y372 WeakPolarHBondContact O-CD1 3.41Å; E370-Y372 WeakPolarHBondContact O-CD1 3.49Å; E370-Y372 PolarHBondContact O-N 3.36Å; E370-Y372 VanDerWaalsContact O-N 3.08Å; Y372-N374 PolarHBondContact O-N 2.99Å; Y372-N374 VanDerWaalsContact O-N 3.1Å; Y372-M375 WeakPolarHBondContact O-CB 3.34Å; Y372-M375 PolarHBondContact O-N 3.12Å
373	K	87.3	Confident	90.1	Very high	160 Å²	160	66.3 Å²	66.3	70%	0.696	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.9	-177.9	-65.9	-178.1	178.6	177.4	0	113.7	S371	S371-K373 PolarHBondContact O-N 2.97Å
374	N	85.5	Confident	90.2	Very high	150 Å²	150	66.4 Å²	66.4	80%	0.802	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-101.5	2.3	179.1	-60.6	-27.5	0	0	0	113.1	S371 Y372	S371-N374 PolarHBondContact O-N 2.85Å; Y372-N374 PolarHBondContact O-N 2.99Å; Y372-N374 VanDerWaalsContact O-N 3.1Å
375	M	90	Very high	90.4	Very high	24 Å²	24	66.3 Å²	66.3	12%	0.118	31%	0.314	C	S	.	.			trans	-69	143.9	179.6	-74.1	174.6	178.6	0	0	111.2	L265 P271 I273 F364 Y369 Y372 L556	L265-M375 HydrophobicContact CD1-SD 3.9Å; P271-M375 HydrophobicContact CB-CE 4.13Å; I273-M375 HydrophobicContact CD1-CB 4.29Å; I273-M375 HydrophobicContact CD1-SD 4.41Å; I273-M375 HydrophobicContact CG1-CB 4.23Å; I273-M375 HydrophobicContact CG1-SD 4.13Å; F364-M375 HydrophobicContact CE1-SD 4.3Å; F364-M375 HydrophobicContact CZ-SD 4.09Å; Y369-M375 HydrophobicContact CD1-CE 4.18Å; Y369-M375 HydrophobicContact CE1-CE 3.26Å; Y372-M375 WeakPolarHBondContact O-CB 3.34Å; Y372-M375 PolarHBondContact O-N 3.12Å; M375-L556 HydrophobicContact CE-CD2 3.21Å
376	E	92.1	Very high	90.7	Very high	83 Å²	83	63.5 Å²	63.5	39%	0.388	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.4	169.5	-62.7	-172.3	137.4	0	0	109.7	S272 I273 K341	S272-E376 CarbonylContact C-O 3.57Å; S272-E376 WeakPolarHBondContact CA-O 3.1Å; I273-E376 PolarHBondContact N-O 3.01Å; K341-E376 WeakPolarHBondContact CE-OE2 3.36Å; K341-E376 VanDerWaalsContact NZ-CD 3.28Å; K341-E376 IonicContact NZ-OE1 3.49Å; K341-E376 PolarHBondContact NZ-OE1 3.15Å; K341-E376 VanDerWaalsContact NZ-OE1 3.1Å; K341-E376 IonicContact NZ-OE2 2.72Å; K341-E376 PolarHBondContact NZ-OE2 3.02Å
377	I	95.7	Very high	91	Very high	10 Å²	10	65.2 Å²	65.2	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.2	173.7	-54.9	170.9	0	0	0	107.5	I273 I275 K341 V342 I344 L347 F360 V379	I273-I377 CarbonylContact O-C 3.07Å; I273-I377 WeakPolarHBondContact O-CA 3.49Å; I275-I377 HydrophobicContact CG1-CG2 4.18Å; K341-I377 CarbonylContact C-O 3.56Å; K341-I377 WeakPolarHBondContact CA-O 3.32Å; V342-I377 HydrophobicContact CG2-CB 4.07Å; V342-I377 HydrophobicContact CG2-CG2 3.91Å; V342-I377 PolarHBondContact N-O 2.58Å; I344-I377 HydrophobicContact CB-CD1 4Å; I344-I377 HydrophobicContact CG1-CD1 4.44Å; L347-I377 HydrophobicContact CD2-CD1 4.18Å; L347-I377 HydrophobicContact CD2-CG2 3.92Å; F360-I377 HydrophobicContact CE2-CD1 3.87Å; F360-I377 HydrophobicContact CZ-CD1 4.49Å; I377-V379 HydrophobicContact CG2-CG2 4.19Å
378	I	95.6	Very high	91.6	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.108	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.3	174.8	-61	172.8	0	0	0	107.6	V266 I273 I275 V339 S340 K341	V266-I378 HydrophobicContact CG2-CD1 4.26Å; I273-I378 PolarHBondContact O-N 3.09Å; I275-I378 PolarHBondContact N-O 3.47Å; V339-I378 HydrophobicContact CG1-CG2 3.35Å; S340-I378 WeakPolarHBondContact O-CA 3.28Å; K341-I378 HydrophobicContact CG-CG1 4.38Å
379	V	96.6	Very high	92.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.5	175	-175.4	0	0	0	0	109.5	I275 S340 V342 L347 I377 Q382 L385	I275-V379 HydrophobicContact CB-CG2 4.33Å; I275-V379 WeakPolarHBondContact O-CA 3.4Å; S340-V379 PolarHBondContact N-O 3.01Å; S340-V379 PolarHBondContact O-N 2.61Å; S340-V379 PolarHBondContact OG-O 3.15Å; V342-V379 HydrophobicContact CG1-CG2 4.37Å; V342-V379 HydrophobicContact CG2-CG2 3.46Å; V342-V379 VanDerWaalsContact CG2-CG2 3.46Å; L347-V379 HydrophobicContact CD1-CG2 3.81Å; I377-V379 HydrophobicContact CG2-CG2 4.19Å; V379-Q382 HydrophobicContact CB-CG 4.06Å; V379-Q382 HydrophobicContact CG1-CB 4.5Å; V379-Q382 HydrophobicContact CG1-CG 3.75Å; V379-L385 HydrophobicContact CG1-CD2 3.72Å
380	H	95	Very high	92.8	Very high	47 Å²	47	56.2 Å²	56.2	22%	0.218	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.9	172.1	-62.3	-106	0	0	0	110.3	D274 I275 S338 V339 Q382	D274-H380 IonicContact OD1-CD2 3.11Å; D274-H380 PolarHBondContact OD1-CD2 2.93Å; D274-H380 IonicContact OD1-NE2 2.75Å; D274-H380 PolarHBondContact OD1-NE2 3.39Å; D274-H380 IonicContact OD2-CD2 2.81Å; D274-H380 IonicContact OD2-CE1 2.7Å; D274-H380 IonicContact OD2-NE2 3.49Å; D274-H380 PolarHBondContact OD2-NE2 3.14Å; I275-H380 PolarHBondContact O-N 3.46Å; S338-H380 CarbonylContact O-C 3.56Å; S338-H380 VanDerWaalsContact O-CA 3.3Å; S338-H380 WeakPolarHBondContact O-CA 3.45Å; V339-H380 WeakPolarHBondContact CG2-ND1 3.36Å; H380-Q382 PolarHBondContact O-N 3.02Å
381	D	94.4	Very high	93.6	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.091	25%	0.246	C	C	.	.	S	Bend	trans	49.7	52	172.9	-66	-50.2	0	0	0	113.7	L277 S336 G337 S338 D383 S384 L385	L277-D381 HydrophobicContact CD1-CB 4.28Å; S336-D381 WeakPolarHBondContact CA-OD1 3.39Å; S336-D381 WeakPolarHBondContact CB-OD1 3.07Å; S336-D381 PolarHBondContact N-OD1 3.36Å; S336-D381 PolarHBondContact OG-OD1 3.02Å; G337-D381 PolarHBondContact N-OD1 2.86Å; S338-D381 PolarHBondContact N-OD1 3.38Å; S338-D381 PolarHBondContact O-N 3.11Å; D381-D383 PolarHBondContact O-N 3.22Å; D381-S384 WeakPolarHBondContact O-CA 3.03Å; D381-S384 WeakPolarHBondContact O-CB 3.35Å; D381-S384 PolarHBondContact O-N 3.45Å; D381-L385 PolarHBondContact O-N 3.48Å
382	Q	94.6	Very high	94.2	Very high	35 Å²	35	46 Å²	46	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-48.2	-41.8	-174.1	-65	-166.1	3.3	0	0	114	S340 I350 V379 H380 L385 R386	S340-Q382 VanDerWaalsContact OG-CD 3.31Å; S340-Q382 WeakPolarHBondContact OG-CG 3.01Å; S340-Q382 PolarHBondContact OG-NE2 2.99Å; I350-Q382 HydrophobicContact CD1-CB 4.35Å; I350-Q382 HydrophobicContact CD1-CG 4.03Å; V379-Q382 HydrophobicContact CB-CG 4.06Å; V379-Q382 HydrophobicContact CG1-CB 4.5Å; V379-Q382 HydrophobicContact CG1-CG 3.75Å; H380-Q382 PolarHBondContact O-N 3.02Å; Q382-L385 PolarHBondContact O-N 3.32Å; Q382-R386 PolarHBondContact O-N 2.97Å
383	D	93.9	Very high	94.5	Very high	104 Å²	104	46.2 Å²	46.2	56%	0.556	23%	0.227	S	C	*	.	H	α-helix	trans	-68.1	-37.3	-179.1	-72.9	-29.5	0	0	0	112.2	D381 R386 K387	D381-D383 PolarHBondContact O-N 3.22Å; D383-R386 IonicContact OD1-NH1 3.54Å; D383-K387 VanDerWaalsContact O-CG 3.28Å; D383-K387 WeakPolarHBondContact O-CG 3.39Å; D383-K387 PolarHBondContact O-N 2.88Å; D383-K387 VanDerWaalsContact O-N 3.08Å
384	S	95.3	Very high	94.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-42.8	173.2	-70.4	0	0	0	0	110.5	Q334 D381 R386 K387 V388	Q334-S384 PolarHBondContact N-OG 3.37Å; Q334-S384 PolarHBondContact O-OG 3.14Å; D381-S384 WeakPolarHBondContact O-CA 3.03Å; D381-S384 WeakPolarHBondContact O-CB 3.35Å; D381-S384 PolarHBondContact O-N 3.45Å; S384-R386 VanDerWaalsContact C-N 3.32Å; S384-R386 PolarHBondContact O-N 3.24Å; S384-K387 PolarHBondContact O-N 2.6Å; S384-V388 WeakPolarHBondContact O-CB 3.37Å; S384-V388 VanDerWaalsContact O-CG2 3.28Å; S384-V388 WeakPolarHBondContact O-CG2 3.39Å; S384-V388 PolarHBondContact O-N 3.5Å
385	L	95.9	Very high	95.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-43.2	176.4	-178.1	62.1	0	0	0	111.5	F261 I275 L277 I350 V379 D381 Q382 V388 C389	F261-L385 HydrophobicContact CB-CD1 4.11Å; I275-L385 HydrophobicContact CG2-CD2 4.03Å; L277-L385 HydrophobicContact CD2-CB 4.27Å; I350-L385 HydrophobicContact CG2-CB 4.32Å; I350-L385 HydrophobicContact CG2-CD2 3.92Å; I350-L385 HydrophobicContact CG2-CG 4.06Å; V379-L385 HydrophobicContact CG1-CD2 3.72Å; D381-L385 PolarHBondContact O-N 3.48Å; Q382-L385 PolarHBondContact O-N 3.32Å; L385-V388 PolarHBondContact O-N 2.99Å; L385-C389 WeakPolarHBondContact O-CB 3.17Å; L385-C389 PolarHBondContact O-N 3.06Å
386	R	96.4	Very high	95.4	Very high	84 Å²	84	36.6 Å²	36.6	32%	0.317	19%	0.188	S	C	.	.	H	α-helix	trans	-60	-52	174.9	-174.2	179.8	-66	131.2	7.2	111.5	I350 Q382 D383 S384 V388 C389 D390	I350-R386 HydrophobicContact CG2-CB 4.38Å; Q382-R386 PolarHBondContact O-N 2.97Å; D383-R386 IonicContact OD1-NH1 3.54Å; S384-R386 VanDerWaalsContact C-N 3.32Å; S384-R386 PolarHBondContact O-N 3.24Å; R386-V388 VanDerWaalsContact C-N 3.29Å; R386-V388 PolarHBondContact O-N 2.73Å; R386-C389 CarbonylContact O-C 3.56Å; R386-C389 WeakPolarHBondContact O-CA 3.4Å; R386-C389 WeakPolarHBondContact O-CB 3.34Å; R386-C389 PolarHBondContact O-N 2.9Å; R386-D390 VanDerWaalsContact O-CG 3.29Å; R386-D390 PolarHBondContact O-N 3.42Å
387	K	96.8	Very high	95.4	Very high	84 Å²	84	39.8 Å²	39.8	37%	0.365	20%	0.203	S	C	.	.	H	α-helix	trans	-58.4	-41.3	179.1	-69.8	169	-176	172.4	0	112.3	A332 D383 S384 C389 D390 I391	A332-K387 HydrophobicContact CB-CB 4.03Å; D383-K387 VanDerWaalsContact O-CG 3.28Å; D383-K387 WeakPolarHBondContact O-CG 3.39Å; D383-K387 PolarHBondContact O-N 2.88Å; D383-K387 VanDerWaalsContact O-N 3.08Å; S384-K387 PolarHBondContact O-N 2.6Å; K387-C389 VanDerWaalsContact C-N 3.34Å; K387-D390 PolarHBondContact O-N 3.37Å; K387-I391 WeakPolarHBondContact O-CG1 3.4Å; K387-I391 PolarHBondContact O-N 2.91Å; K387-I391 VanDerWaalsContact O-N 3.12Å
388	V	97	Very high	95.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-66.4	-39	177.1	171.7	0	0	0	0	110.6	L260 L277 I329 A332 I333 S384 L385 R386 I391 H392	L260-V388 HydrophobicContact CD1-CG1 4.03Å; L277-V388 HydrophobicContact CD2-CG2 4.4Å; I329-V388 HydrophobicContact CG2-CG1 3.85Å; I329-V388 HydrophobicContact CG2-CG2 4.03Å; A332-V388 HydrophobicContact CB-CG2 4.33Å; I333-V388 HydrophobicContact CG1-CG2 3.82Å; S384-V388 WeakPolarHBondContact O-CB 3.37Å; S384-V388 VanDerWaalsContact O-CG2 3.28Å; S384-V388 WeakPolarHBondContact O-CG2 3.39Å; S384-V388 PolarHBondContact O-N 3.5Å; L385-V388 PolarHBondContact O-N 2.99Å; R386-V388 VanDerWaalsContact C-N 3.29Å; R386-V388 PolarHBondContact O-N 2.73Å; V388-I391 PolarHBondContact O-N 2.85Å; V388-H392 PolarHBondContact O-N 2.74Å; V388-H392 PolarHBondContact O-ND1 2.93Å
389	C	97.2	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-43	172.1	-165.3	0	0	0	0	112.5	L260 C351 L353 L385 R386 K387 I391 H392 A393	L260-C389 HydrophobicContact CD1-CB 4.26Å; C351-C389 WeakPolarHBondContact CA-SG 3.39Å; C351-C389 HydrophobicContact CB-CB 3.65Å; C351-C389 WeakPolarHBondContact CB-SG 3.11Å; C351-C389 WeakPolarHBondContact SG-CB 3.41Å; C351-C389 CovalentContact SG-SG 2.04Å; C351-C389 PolarHBondContact SG-SG 3.25Å; L353-C389 VanDerWaalsContact CD1-O 3.32Å; L353-C389 WeakPolarHBondContact CD1-O 3.25Å; L385-C389 WeakPolarHBondContact O-CB 3.17Å; L385-C389 PolarHBondContact O-N 3.06Å; R386-C389 CarbonylContact O-C 3.56Å; R386-C389 WeakPolarHBondContact O-CA 3.4Å; R386-C389 WeakPolarHBondContact O-CB 3.34Å; R386-C389 PolarHBondContact O-N 2.9Å; K387-C389 VanDerWaalsContact C-N 3.34Å; C389-I391 VanDerWaalsContact C-N 3.3Å; C389-I391 PolarHBondContact O-N 2.79Å; C389-H392 CarbonylContact O-C 3.56Å; C389-H392 WeakPolarHBondContact O-CB 3.43Å; C389-H392 PolarHBondContact O-N 3.5Å; C389-H392 VanDerWaalsContact O-N 3.08Å; C389-A393 PolarHBondContact O-N 2.73Å
390	D	97.1	Very high	94.4	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-37.2	177.4	-64.3	-27	0	0	0	112.3	R386 K387 A393 T394	R386-D390 VanDerWaalsContact O-CG 3.29Å; R386-D390 PolarHBondContact O-N 3.42Å; K387-D390 PolarHBondContact O-N 3.37Å; D390-A393 WeakPolarHBondContact O-CB 3.5Å; D390-A393 PolarHBondContact O-N 2.67Å; D390-T394 PolarHBondContact O-N 2.75Å; D390-T394 PolarHBondContact O-OG1 2.98Å
391	I	97.1	Very high	94.2	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-43.4	173.7	-69.2	166.5	0	0	0	110.9	L325 Q328 I329 A332 K387 V388 C389 A393 T394 A395	L325-I391 HydrophobicContact CD1-CG2 3.58Å; Q328-I391 HydrophobicContact CB-CD1 4.29Å; Q328-I391 HydrophobicContact CB-CG2 4.3Å; Q328-I391 WeakPolarHBondContact O-CD1 3.47Å; I329-I391 HydrophobicContact CG1-CG2 3.88Å; A332-I391 HydrophobicContact CB-CD1 3.5Å; K387-I391 WeakPolarHBondContact O-CG1 3.4Å; K387-I391 PolarHBondContact O-N 2.91Å; K387-I391 VanDerWaalsContact O-N 3.12Å; V388-I391 PolarHBondContact O-N 2.85Å; C389-I391 VanDerWaalsContact C-N 3.3Å; C389-I391 PolarHBondContact O-N 2.79Å; I391-A393 VanDerWaalsContact C-N 3.31Å; I391-A393 PolarHBondContact O-N 2.94Å; I391-T394 PolarHBondContact O-N 3.44Å; I391-A395 PolarHBondContact O-N 3.45Å
392	H	96.3	Very high	94	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-36.8	175	-73	71.1	0	0	0	111.2	L244 F248 L260 I329 L353 V388 C389 A395 M396 L405	L244-H392 HydrophobicContact CD1-CB 4.19Å; F248-H392 AromaticContact CZ-CD2 3.98Å; L260-H392 HydrophobicContact CD1-CB 4.05Å; L260-H392 WeakPolarHBondContact CD1-ND1 3.3Å; I329-H392 VanDerWaalsContact CD1-CE1 3.49Å; I329-H392 WeakPolarHBondContact CD1-CE1 3.43Å; L353-H392 HydrophobicContact CD1-CB 3.68Å; V388-H392 PolarHBondContact O-N 2.74Å; V388-H392 PolarHBondContact O-ND1 2.93Å; C389-H392 CarbonylContact O-C 3.56Å; C389-H392 WeakPolarHBondContact O-CB 3.43Å; C389-H392 PolarHBondContact O-N 3.5Å; C389-H392 VanDerWaalsContact O-N 3.08Å; H392-A395 PolarHBondContact O-N 3.34Å; H392-M396 WeakPolarHBondContact O-CG 3.38Å; H392-M396 PolarHBondContact O-N 3.02Å; H392-L405 WeakPolarHBondContact CD2-CD2 3.05Å
393	A	95.5	Very high	93.8	Very high	29 Å²	29	46.9 Å²	46.9	24%	0.24	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-46.5	177.9	0	0	0	0	0	110.3	L353 C389 D390 I391 A395 M396 E397	L353-A393 HydrophobicContact CD1-CB 3.79Å; L353-A393 VanDerWaalsContact CD1-N 3.25Å; L353-A393 HydrophobicContact CD2-CB 3.94Å; L353-A393 HydrophobicContact CG-CB 4.16Å; C389-A393 PolarHBondContact O-N 2.73Å; D390-A393 WeakPolarHBondContact O-CB 3.5Å; D390-A393 PolarHBondContact O-N 2.67Å; I391-A393 VanDerWaalsContact C-N 3.31Å; I391-A393 PolarHBondContact O-N 2.94Å; A393-A395 VanDerWaalsContact C-N 3.31Å; A393-A395 PolarHBondContact O-N 3.22Å; A393-M396 VanDerWaalsContact O-CB 3.32Å; A393-M396 WeakPolarHBondContact O-CB 3.42Å; A393-M396 PolarHBondContact O-N 2.88Å; A393-E397 PolarHBondContact O-N 3.24Å
394	T	96	Very high	93.7	Very high	87 Å²	87	42.7 Å²	42.7	53%	0.534	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-41.8	176.2	-53.4	0	0	0	0	111.4	D390 I391 M396 E397	D390-T394 PolarHBondContact O-N 2.75Å; D390-T394 PolarHBondContact O-OG1 2.98Å; I391-T394 PolarHBondContact O-N 3.44Å; T394-M396 VanDerWaalsContact C-N 3.3Å; T394-M396 PolarHBondContact O-N 3.24Å; T394-E397 PolarHBondContact O-N 2.84Å
395	A	94.1	Very high	93.6	Very high	12 Å²	12	42.6 Å²	42.6	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-32.5	175.8	0	0	0	0	0	112.4	L325 I391 H392 A393 E397 G401 R402 L405	L325-A395 HydrophobicContact CD1-CB 4.35Å; I391-A395 PolarHBondContact O-N 3.45Å; H392-A395 PolarHBondContact O-N 3.34Å; A393-A395 VanDerWaalsContact C-N 3.31Å; A393-A395 PolarHBondContact O-N 3.22Å; A395-E397 VanDerWaalsContact C-N 3.29Å; A395-E397 PolarHBondContact O-N 3.02Å; A395-G401 CarbonylContact O-C 3.11Å; A395-G401 WeakPolarHBondContact O-CA 3.31Å; A395-R402 PolarHBondContact O-N 3.29Å; A395-L405 HydrophobicContact CB-CD1 3.74Å; A395-L405 HydrophobicContact CB-CD2 4.39Å; A395-L405 HydrophobicContact CB-CG 4Å
396	M	91.9	Very high	93.4	Very high	34 Å²	34	42.6 Å²	42.6	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-29.1	177.8	-74.8	-76	-67.9	0	0	113.5	F242 L244 H392 A393 T394 T398 R402 L405	F242-M396 HydrophobicContact CD1-CE 3.66Å; F242-M396 HydrophobicContact CD1-SD 3.42Å; F242-M396 WeakPolarHBondContact CD1-SD 3.41Å; F242-M396 HydrophobicContact CE1-CE 4.27Å; F242-M396 HydrophobicContact CE1-SD 3.44Å; F242-M396 WeakPolarHBondContact CE1-SD 3.44Å; F242-M396 WeakPolarHBondContact O-CE 3.25Å; L244-M396 HydrophobicContact CD1-CG 3.84Å; L244-M396 HydrophobicContact CD1-SD 3.93Å; L244-M396 HydrophobicContact CD2-SD 4.08Å; L244-M396 HydrophobicContact CG-CE 4.26Å; L244-M396 HydrophobicContact CG-CG 4.26Å; L244-M396 HydrophobicContact CG-SD 3.67Å; H392-M396 WeakPolarHBondContact O-CG 3.38Å; H392-M396 PolarHBondContact O-N 3.02Å; A393-M396 VanDerWaalsContact O-CB 3.32Å; A393-M396 WeakPolarHBondContact O-CB 3.42Å; A393-M396 PolarHBondContact O-N 2.88Å; T394-M396 VanDerWaalsContact C-N 3.3Å; T394-M396 PolarHBondContact O-N 3.24Å; M396-T398 PolarHBondContact O-N 2.65Å; M396-T398 VanDerWaalsContact O-N 3.13Å; M396-R402 WeakPolarHBondContact O-CD 3.32Å; M396-R402 WeakPolarHBondContact O-CG 3.47Å; M396-R402 HydrophobicContact SD-CG 3.98Å; M396-L405 HydrophobicContact CG-CD1 3.76Å; M396-L405 HydrophobicContact SD-CD1 3.81Å
397	E	90.9	Very high	93.2	Very high	150 Å²	150	38.6 Å²	38.6	70%	0.701	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.9	-177.1	-66.7	176.9	175.7	0	0	114.3	A393 T394 A395	A393-E397 PolarHBondContact O-N 3.24Å; T394-E397 PolarHBondContact O-N 2.84Å; A395-E397 VanDerWaalsContact C-N 3.29Å; A395-E397 PolarHBondContact O-N 3.02Å
398	T	90.9	Very high	93	Very high	71 Å²	71	34.6 Å²	34.6	44%	0.436	19%	0.191	S	C	.	.	S	Bend	trans	-123.1	148.9	-177.2	71.2	0	0	0	0	111.9	M396 N400 G401 R402	M396-T398 PolarHBondContact O-N 2.65Å; M396-T398 VanDerWaalsContact O-N 3.13Å; T398-N400 PolarHBondContact O-N 2.98Å; T398-G401 PolarHBondContact O-N 2.89Å; T398-G401 PolarHBondContact OG1-N 3.14Å; T398-R402 WeakPolarHBondContact O-CG 3.42Å; T398-R402 PolarHBondContact O-N 3.45Å; T398-R402 PolarHBondContact O-NE 3.32Å
399	N	87	Confident	92.9	Very high	69 Å²	69	34.6 Å²	34.6	37%	0.369	19%	0.19	S	C	.	.	H	α-helix	trans	-57.8	-38.8	173.4	-173.9	5.4	0	0	0	111.7	K403	N399-K403 PolarHBondContact ND2-NZ 3.01Å; N399-K403 VanDerWaalsContact O-CD 3.3Å; N399-K403 WeakPolarHBondContact O-CD 2.92Å; N399-K403 VanDerWaalsContact O-CG 3.25Å; N399-K403 WeakPolarHBondContact O-CG 3.05Å; N399-K403 PolarHBondContact O-N 2.73Å; N399-K403 WeakPolarHBondContact OD1-CE 3.45Å; N399-K403 PolarHBondContact OD1-NZ 2.9Å
400	N	88.6	Confident	92.8	Very high	97 Å²	97	34.5 Å²	34.5	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-68.5	-42.6	177.8	-75.4	-8.8	0	0	0	112.3	T398 R402 K403 N404	T398-N400 PolarHBondContact O-N 2.98Å; N400-R402 PolarHBondContact O-N 2.82Å; N400-K403 WeakPolarHBondContact O-CB 3.25Å; N400-K403 PolarHBondContact O-N 2.78Å; N400-N404 PolarHBondContact O-N 2.99Å; N400-N404 PolarHBondContact O-ND2 3.15Å; N400-N404 PolarHBondContact O-OD1 2.61Å
401	G	91.7	Very high	92.6	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-37.3	176.8	0	0	0	0	0	112.5	A395 T398 K403 N404 L405	A395-G401 CarbonylContact O-C 3.11Å; A395-G401 WeakPolarHBondContact O-CA 3.31Å; T398-G401 PolarHBondContact O-N 2.89Å; T398-G401 PolarHBondContact OG1-N 3.14Å; G401-K403 PolarHBondContact O-N 2.86Å; G401-N404 WeakPolarHBondContact O-CB 3.41Å; G401-N404 PolarHBondContact O-N 3.2Å; G401-N404 VanDerWaalsContact O-N 3.12Å; G401-L405 WeakPolarHBondContact O-CG 3.48Å; G401-L405 PolarHBondContact O-N 2.83Å
402	R	90.4	Very high	92.5	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-39.2	171.7	-70	179.4	-70.7	166.2	-6.6	113.5	L237 N238 D239 F242 A395 M396 T398 N400 N404 L405 H406	L237-R402 VanDerWaalsContact C-NH1 3.26Å; L237-R402 VanDerWaalsContact O-CZ 3.26Å; L237-R402 PolarHBondContact O-NH1 3.15Å; L237-R402 PolarHBondContact O-NH2 3.49Å; N238-R402 PolarHBondContact O-NH1 3.11Å; D239-R402 IonicContact OD1-CZ 3.64Å; D239-R402 IonicContact OD1-NE 2.65Å; D239-R402 PolarHBondContact OD1-NE 3.06Å; D239-R402 IonicContact OD1-NH1 3.11Å; D239-R402 PolarHBondContact OD1-NH1 3.23Å; D239-R402 IonicContact OD1-NH2 2.83Å; D239-R402 PolarHBondContact OD1-NH2 2.76Å; D239-R402 IonicContact OD2-CZ 2.59Å; D239-R402 IonicContact OD2-NH1 3.76Å; D239-R402 IonicContact OD2-NH2 2.71Å; D239-R402 PolarHBondContact OD2-NH2 3.34Å; F242-R402 HydrophobicContact CD1-CB 4.18Å; F242-R402 HydrophobicContact CD1-CG 3.81Å; F242-R402 HydrophobicContact CE1-CB 3.98Å; F242-R402 HydrophobicContact CE1-CG 3.91Å; F242-R402 HydrophobicContact CZ-CB 4.26Å; A395-R402 PolarHBondContact O-N 3.29Å; M396-R402 WeakPolarHBondContact O-CD 3.32Å; M396-R402 WeakPolarHBondContact O-CG 3.47Å; M396-R402 HydrophobicContact SD-CG 3.98Å; T398-R402 WeakPolarHBondContact O-CG 3.42Å; T398-R402 PolarHBondContact O-N 3.45Å; T398-R402 PolarHBondContact O-NE 3.32Å; N400-R402 PolarHBondContact O-N 2.82Å; R402-N404 VanDerWaalsContact C-N 3.3Å; R402-N404 PolarHBondContact O-N 3.36Å; R402-L405 PolarHBondContact O-N 3.44Å; R402-H406 WeakPolarHBondContact O-CB 3.21Å; R402-H406 PolarHBondContact O-N 2.96Å
403	K	89.1	Confident	92.5	Very high	28 Å²	28	29.5 Å²	29.5	12%	0.122	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-38.6	171.1	-73.2	158.3	173.3	169.3	0	112	Y220 L237 N399 N400 G401 A407	Y220-K403 HydrophobicContact CD1-CB 3.71Å; Y220-K403 HydrophobicContact CD1-CD 4.36Å; Y220-K403 HydrophobicContact CD1-CG 3.83Å; Y220-K403 HydrophobicContact CD2-CG 4.29Å; Y220-K403 HydrophobicContact CE1-CB 3.55Å; Y220-K403 HydrophobicContact CE1-CD 3.51Å; Y220-K403 HydrophobicContact CE1-CG 3.48Å; Y220-K403 VanDerWaalsContact CE1-CG 3.48Å; Y220-K403 HydrophobicContact CE2-CD 4.02Å; Y220-K403 HydrophobicContact CE2-CG 4.02Å; Y220-K403 HydrophobicContact CG-CB 4.46Å; Y220-K403 HydrophobicContact CG-CG 4.23Å; Y220-K403 VanDerWaalsContact CZ-CE 3.4Å; Y220-K403 VanDerWaalsContact OH-CD 3.28Å; Y220-K403 WeakPolarHBondContact OH-CD 3.5Å; Y220-K403 WeakPolarHBondContact OH-CE 3.48Å; Y220-K403 PolarHBondContact OH-NZ 3.32Å; L237-K403 HydrophobicContact CD1-CG 4.26Å; L237-K403 HydrophobicContact CD2-CG 3.86Å; N399-K403 PolarHBondContact ND2-NZ 3.01Å; N399-K403 VanDerWaalsContact O-CD 3.3Å; N399-K403 WeakPolarHBondContact O-CD 2.92Å; N399-K403 VanDerWaalsContact O-CG 3.25Å; N399-K403 WeakPolarHBondContact O-CG 3.05Å; N399-K403 PolarHBondContact O-N 2.73Å; N399-K403 WeakPolarHBondContact OD1-CE 3.45Å; N399-K403 PolarHBondContact OD1-NZ 2.9Å; N400-K403 WeakPolarHBondContact O-CB 3.25Å; N400-K403 PolarHBondContact O-N 2.78Å; G401-K403 PolarHBondContact O-N 2.86Å; K403-A407 VanDerWaalsContact O-CB 3.32Å; K403-A407 WeakPolarHBondContact O-CB 3.38Å; K403-A407 PolarHBondContact O-N 2.95Å
404	N	92	Very high	92.4	Very high	17 Å²	17	28.1 Å²	28.1	9%	0.091	15%	0.153	C	C	.	.	H	α-helix	trans	-68.8	-42.8	177.6	-63.6	-15.9	0	0	0	111	D321 V322 L325 N400 G401 R402 A407 M408	D321-N404 VanDerWaalsContact CB-ND2 3.29Å; D321-N404 WeakPolarHBondContact CB-ND2 2.98Å; V322-N404 HydrophobicContact CG2-CB 4.1Å; L325-N404 HydrophobicContact CD2-CB 4.36Å; N400-N404 PolarHBondContact O-N 2.99Å; N400-N404 PolarHBondContact O-ND2 3.15Å; N400-N404 PolarHBondContact O-OD1 2.61Å; G401-N404 WeakPolarHBondContact O-CB 3.41Å; G401-N404 PolarHBondContact O-N 3.2Å; G401-N404 VanDerWaalsContact O-N 3.12Å; R402-N404 VanDerWaalsContact C-N 3.3Å; R402-N404 PolarHBondContact O-N 3.36Å; N404-A407 PolarHBondContact O-N 3.25Å; N404-M408 VanDerWaalsContact O-CB 3.27Å; N404-M408 WeakPolarHBondContact O-CB 3.32Å; N404-M408 PolarHBondContact O-N 2.9Å
405	L	93.6	Very high	92.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.1	-71.5	166.4	0	0	0	111.6	L244 L325 H392 A395 M396 G401 R402 M408 T409	L244-L405 HydrophobicContact CD2-CB 4.49Å; L244-L405 HydrophobicContact CD2-CD1 4.23Å; L325-L405 HydrophobicContact CD2-CD2 3.93Å; L325-L405 HydrophobicContact CD2-CG 4.33Å; H392-L405 WeakPolarHBondContact CD2-CD2 3.05Å; A395-L405 HydrophobicContact CB-CD1 3.74Å; A395-L405 HydrophobicContact CB-CD2 4.39Å; A395-L405 HydrophobicContact CB-CG 4Å; M396-L405 HydrophobicContact CG-CD1 3.76Å; M396-L405 HydrophobicContact SD-CD1 3.81Å; G401-L405 WeakPolarHBondContact O-CG 3.48Å; G401-L405 PolarHBondContact O-N 2.83Å; R402-L405 PolarHBondContact O-N 3.44Å; L405-M408 PolarHBondContact O-N 3.5Å; L405-T409 PolarHBondContact O-N 3.23Å; L405-T409 PolarHBondContact O-OG1 2.92Å
406	H	92.1	Very high	92.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174.7	-174.5	-76.2	0	0	0	112.2	F216 G218 F242 R402 M408 T409 T410	F216-H406 PolarHBondContact O-NE2 3.46Å; G218-H406 PolarHBondContact O-CE1 3.31Å; G218-H406 PolarHBondContact O-NE2 2.66Å; F242-H406 HydrophobicContact CZ-CB 4.47Å; R402-H406 WeakPolarHBondContact O-CB 3.21Å; R402-H406 PolarHBondContact O-N 2.96Å; H406-M408 VanDerWaalsContact C-N 3.35Å; H406-M408 PolarHBondContact O-N 3.11Å; H406-T409 PolarHBondContact O-N 2.69Å; H406-T410 WeakPolarHBondContact O-CG2 3.22Å; H406-T410 PolarHBondContact O-N 2.95Å; H406-T410 PolarHBondContact O-OG1 2.86Å
407	A	91.8	Very high	92.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-42.1	175.8	0	0	0	0	0	111.7	L221 I318 V322 K403 N404 T410 I411	L221-A407 HydrophobicContact CD1-CB 4.24Å; L221-A407 HydrophobicContact CD2-CB 4.04Å; L221-A407 HydrophobicContact CG-CB 4.16Å; I318-A407 HydrophobicContact CG2-CB 4.02Å; V322-A407 HydrophobicContact CG2-CB 3.79Å; K403-A407 VanDerWaalsContact O-CB 3.32Å; K403-A407 WeakPolarHBondContact O-CB 3.38Å; K403-A407 PolarHBondContact O-N 2.95Å; N404-A407 PolarHBondContact O-N 3.25Å; A407-T410 WeakPolarHBondContact CA-OG1 3.22Å; A407-T410 PolarHBondContact O-N 3.42Å; A407-T410 PolarHBondContact O-OG1 3.14Å; A407-T410 VanDerWaalsContact O-OG1 3.06Å; A407-I411 WeakPolarHBondContact O-CB 3.18Å; A407-I411 WeakPolarHBondContact O-CD1 3.22Å; A407-I411 WeakPolarHBondContact O-CG1 3.37Å; A407-I411 PolarHBondContact O-N 3.48Å
408	M	94.1	Very high	92	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-48.2	178.9	-162.4	-175.6	-178.4	0	0	111	T259 L280 F283 V322 L325 H326 I329 N404 L405 H406 T410 I411 S412	T259-M408 HydrophobicContact CG2-CE 3.68Å; T259-M408 HydrophobicContact CG2-CG 4.03Å; T259-M408 HydrophobicContact CG2-SD 4.08Å; L280-M408 HydrophobicContact CD2-CE 3.9Å; F283-M408 HydrophobicContact CD2-CE 3.88Å; F283-M408 HydrophobicContact CE1-CG 4.33Å; F283-M408 HydrophobicContact CE2-CE 3.62Å; F283-M408 HydrophobicContact CE2-CG 3.47Å; F283-M408 VanDerWaalsContact CE2-CG 3.47Å; F283-M408 HydrophobicContact CE2-SD 4.43Å; F283-M408 HydrophobicContact CZ-CB 4.21Å; F283-M408 HydrophobicContact CZ-CE 4.33Å; F283-M408 HydrophobicContact CZ-CG 3.35Å; V322-M408 HydrophobicContact CG1-CB 4.04Å; V322-M408 HydrophobicContact CG1-CG 4.06Å; L325-M408 HydrophobicContact CD2-SD 4.15Å; L325-M408 HydrophobicContact CG-SD 4.43Å; H326-M408 HydrophobicContact CB-CE 4.22Å; I329-M408 HydrophobicContact CD1-CE 3.8Å; I329-M408 HydrophobicContact CD1-SD 3.99Å; N404-M408 VanDerWaalsContact O-CB 3.27Å; N404-M408 WeakPolarHBondContact O-CB 3.32Å; N404-M408 PolarHBondContact O-N 2.9Å; L405-M408 PolarHBondContact O-N 3.5Å; H406-M408 VanDerWaalsContact C-N 3.35Å; H406-M408 PolarHBondContact O-N 3.11Å; M408-T410 PolarHBondContact O-N 3.26Å; M408-I411 PolarHBondContact O-N 2.81Å; M408-S412 PolarHBondContact O-N 3.45Å; M408-S412 PolarHBondContact O-OG 2.96Å
409	T	94.8	Very high	91.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-46	177.3	-54.4	0	0	0	0	112.1	F216 L247 F248 L251 L405 H406 I411 S412 F413	F216-T409 HydrophobicContact CD1-CG2 4.03Å; F216-T409 HydrophobicContact CE1-CG2 3.48Å; F216-T409 VanDerWaalsContact CE1-CG2 3.48Å; F216-T409 HydrophobicContact CZ-CG2 4.29Å; L247-T409 HydrophobicContact CD1-CG2 4.49Å; L247-T409 WeakPolarHBondContact CD2-OG1 3.43Å; L247-T409 HydrophobicContact CG-CG2 4.13Å; F248-T409 HydrophobicContact CD1-CG2 4.07Å; F248-T409 WeakPolarHBondContact CE1-OG1 3.39Å; L251-T409 HydrophobicContact CB-CG2 4.17Å; L251-T409 HydrophobicContact CD2-CG2 3.84Å; L405-T409 PolarHBondContact O-N 3.23Å; L405-T409 PolarHBondContact O-OG1 2.92Å; H406-T409 PolarHBondContact O-N 2.69Å; T409-I411 VanDerWaalsContact C-N 3.35Å; T409-I411 PolarHBondContact O-N 2.91Å; T409-S412 PolarHBondContact O-N 3.37Å; T409-F413 WeakPolarHBondContact O-CB 3.34Å; T409-F413 PolarHBondContact O-N 3.21Å
410	T	93.3	Very high	91.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.5	-33.9	-179.4	51.7	0	0	0	0	112.6	I212 F216 H406 A407 M408 F413 L414	I212-T410 HydrophobicContact CG2-CG2 3.69Å; F216-T410 HydrophobicContact CB-CG2 4Å; F216-T410 HydrophobicContact CD1-CG2 4.37Å; F216-T410 HydrophobicContact CD2-CG2 3.91Å; F216-T410 HydrophobicContact CG-CG2 3.82Å; H406-T410 WeakPolarHBondContact O-CG2 3.22Å; H406-T410 PolarHBondContact O-N 2.95Å; H406-T410 PolarHBondContact O-OG1 2.86Å; A407-T410 WeakPolarHBondContact CA-OG1 3.22Å; A407-T410 PolarHBondContact O-N 3.42Å; A407-T410 PolarHBondContact O-OG1 3.14Å; A407-T410 VanDerWaalsContact O-OG1 3.06Å; M408-T410 PolarHBondContact O-N 3.26Å; T410-F413 PolarHBondContact O-N 3.46Å; T410-L414 VanDerWaalsContact O-CG 3.3Å; T410-L414 WeakPolarHBondContact O-CG 3.35Å; T410-L414 PolarHBondContact O-N 3.47Å; T410-L414 VanDerWaalsContact O-N 3.08Å
411	I	93.9	Very high	91.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-47.2	173.1	-70.2	165.4	0	0	0	110.8	L221 A282 F283 L302 L306 V322 A407 M408 T409 F413 L414 F415	L221-I411 HydrophobicContact CD1-CD1 4.01Å; L221-I411 HydrophobicContact CD1-CG1 4.05Å; A282-I411 HydrophobicContact CB-CG2 4.48Å; F283-I411 HydrophobicContact CE1-CB 4.3Å; F283-I411 HydrophobicContact CE1-CD1 4.27Å; F283-I411 HydrophobicContact CE1-CG2 3.77Å; F283-I411 HydrophobicContact CZ-CB 4.04Å; F283-I411 HydrophobicContact CZ-CG2 3.79Å; L302-I411 HydrophobicContact CD1-CG2 3.97Å; L302-I411 HydrophobicContact CD2-CD1 4.29Å; L306-I411 HydrophobicContact CD1-CD1 3.88Å; L306-I411 HydrophobicContact CD1-CG1 3.87Å; L306-I411 HydrophobicContact CD2-CG1 4.16Å; V322-I411 HydrophobicContact CG1-CD1 4.38Å; A407-I411 WeakPolarHBondContact O-CB 3.18Å; A407-I411 WeakPolarHBondContact O-CD1 3.22Å; A407-I411 WeakPolarHBondContact O-CG1 3.37Å; A407-I411 PolarHBondContact O-N 3.48Å; M408-I411 PolarHBondContact O-N 2.81Å; T409-I411 VanDerWaalsContact C-N 3.35Å; T409-I411 PolarHBondContact O-N 2.91Å; I411-F413 VanDerWaalsContact C-N 3.29Å; I411-F413 PolarHBondContact O-N 3.48Å; I411-L414 PolarHBondContact O-N 3.41Å; I411-F415 PolarHBondContact O-N 3.45Å
412	S	95.2	Very high	91.4	Very high	9 Å²	9	13.7 Å²	13.7	6%	0.063	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-40.6	176.3	-65.3	0	0	0	0	112.1	T259 M408 T409 F415 N416	T259-S412 WeakPolarHBondContact CG2-OG 3.22Å; M408-S412 PolarHBondContact O-N 3.45Å; M408-S412 PolarHBondContact O-OG 2.96Å; T409-S412 PolarHBondContact O-N 3.37Å; S412-F415 WeakPolarHBondContact O-CB 3.49Å; S412-F415 PolarHBondContact O-N 3.37Å; S412-N416 PolarHBondContact O-N 2.96Å; S412-N416 VanDerWaalsContact O-N 3.08Å
413	F	95.7	Very high	91	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.6	-44.2	175.9	-179.4	-95.2	0	0	0	112.9	L211 I212 L215 F216 L251 Q254 T409 T410 I411 N416 M417 Y541	L211-F413 HydrophobicContact CD2-CE1 3.76Å; L211-F413 HydrophobicContact CD2-CZ 4.01Å; L211-F413 HydrophobicContact CG-CE1 4.15Å; L211-F413 HydrophobicContact CG-CZ 4.34Å; I212-F413 HydrophobicContact CD1-CD1 3.46Å; I212-F413 VanDerWaalsContact CD1-CD1 3.46Å; I212-F413 HydrophobicContact CD1-CE1 3.77Å; L215-F413 HydrophobicContact CD1-CE1 4.06Å; L215-F413 HydrophobicContact CD1-CE2 3.72Å; L215-F413 HydrophobicContact CD1-CZ 3.3Å; F216-F413 HydrophobicContact CE2-CB 3.92Å; F216-F413 AromaticContact CE2-CD1 3.72Å; F216-F413 HydrophobicContact CE2-CD1 3.72Å; F216-F413 AromaticContact CE2-CD2 3.76Å; F216-F413 HydrophobicContact CE2-CD2 3.76Å; F216-F413 HydrophobicContact CE2-CE1 4.12Å; F216-F413 HydrophobicContact CE2-CE2 4.19Å; F216-F413 AromaticContact CE2-CG 3.51Å; F216-F413 HydrophobicContact CE2-CG 3.51Å; F216-F413 HydrophobicContact CE2-CZ 4.37Å; F216-F413 HydrophobicContact CZ-CB 3.73Å; F216-F413 HydrophobicContact CZ-CD1 4.29Å; F216-F413 AromaticContact CZ-CD2 3.57Å; F216-F413 HydrophobicContact CZ-CD2 3.57Å; F216-F413 HydrophobicContact CZ-CE2 4.26Å; F216-F413 AromaticContact CZ-CG 3.6Å; F216-F413 HydrophobicContact CZ-CG 3.6Å; L251-F413 HydrophobicContact CD1-CB 4.11Å; L251-F413 HydrophobicContact CD1-CD2 4.41Å; Q254-F413 HydrophobicContact CB-CD2 4.44Å; Q254-F413 HydrophobicContact CB-CE2 4.31Å; Q254-F413 VanDerWaalsContact CD-CE2 3.46Å; Q254-F413 HydrophobicContact CG-CD2 4.38Å; Q254-F413 HydrophobicContact CG-CE2 4.14Å; Q254-F413 PolarHBondContact NE2-O 3.36Å; T409-F413 WeakPolarHBondContact O-CB 3.34Å; T409-F413 PolarHBondContact O-N 3.21Å; T410-F413 PolarHBondContact O-N 3.46Å; I411-F413 VanDerWaalsContact C-N 3.29Å; I411-F413 PolarHBondContact O-N 3.48Å; F413-N416 PolarHBondContact O-N 2.87Å; F413-M417 HydrophobicContact CD1-CE 3.62Å; F413-M417 HydrophobicContact CE1-CE 3.22Å; F413-M417 HydrophobicContact CE1-SD 3.91Å; F413-M417 HydrophobicContact CZ-CE 4.05Å; F413-M417 HydrophobicContact CZ-SD 4.14Å; F413-M417 PolarHBondContact O-N 3.3Å; F413-Y541 AromaticContact CE2-CD2 3.7Å; F413-Y541 HydrophobicContact CE2-CD2 3.7Å; F413-Y541 AromaticContact CE2-CE2 3.94Å; F413-Y541 HydrophobicContact CE2-CE2 3.94Å; F413-Y541 AromaticContact CZ-CD2 3.88Å; F413-Y541 HydrophobicContact CZ-CD2 3.88Å; F413-Y541 HydrophobicContact CZ-CE2 4.49Å
414	L	93.9	Very high	90.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-67.5	-36.3	176.2	-69.8	167.5	0	0	0	112.1	V208 I212 W219 L306 L309 T410 I411 N416 M417 K418 L421 F428	V208-L414 HydrophobicContact CG1-CD2 3.72Å; I212-L414 HydrophobicContact CD1-CD2 4.08Å; I212-L414 HydrophobicContact CD1-CG 4.19Å; I212-L414 HydrophobicContact CG1-CD2 4.48Å; W219-L414 HydrophobicContact CH2-CD1 4.17Å; W219-L414 HydrophobicContact CZ2-CD1 3.65Å; L306-L414 HydrophobicContact CD2-CD1 3.96Å; L309-L414 HydrophobicContact CD1-CD1 3.69Å; L309-L414 HydrophobicContact CD1-CD2 3.85Å; L309-L414 HydrophobicContact CD1-CG 4.34Å; T410-L414 VanDerWaalsContact O-CG 3.3Å; T410-L414 WeakPolarHBondContact O-CG 3.35Å; T410-L414 PolarHBondContact O-N 3.47Å; T410-L414 VanDerWaalsContact O-N 3.08Å; I411-L414 PolarHBondContact O-N 3.41Å; L414-N416 VanDerWaalsContact C-N 3.31Å; L414-N416 PolarHBondContact O-N 3.45Å; L414-M417 HydrophobicContact CD2-CE 3.81Å; L414-M417 CarbonylContact O-C 3.31Å; L414-M417 WeakPolarHBondContact O-CA 3.36Å; L414-M417 PolarHBondContact O-N 3.41Å; L414-K418 PolarHBondContact O-N 2.95Å; L414-L421 HydrophobicContact CD2-CD1 4.1Å; L414-F428 HydrophobicContact CB-CE1 4.08Å; L414-F428 HydrophobicContact CB-CZ 4.2Å
415	F	92.6	Very high	90.3	Very high	13 Å²	13	16.6 Å²	16.6	6%	0.057	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-36.6	174.8	175.2	-99	0	0	0	112.7	E281 A282 A285 I411 S412 M417 K418 Y429	E281-F415 HydrophobicContact CB-CE1 3.6Å; E281-F415 HydrophobicContact CB-CZ 3.99Å; A282-F415 HydrophobicContact CB-CB 3.49Å; A282-F415 VanDerWaalsContact CB-CB 3.49Å; A282-F415 HydrophobicContact CB-CD1 3.81Å; A282-F415 HydrophobicContact CB-CD2 4.09Å; A282-F415 HydrophobicContact CB-CG 3.53Å; A285-F415 HydrophobicContact CB-CE2 3.83Å; A285-F415 HydrophobicContact CB-CZ 4.25Å; I411-F415 PolarHBondContact O-N 3.45Å; S412-F415 WeakPolarHBondContact O-CB 3.49Å; S412-F415 PolarHBondContact O-N 3.37Å; F415-M417 PolarHBondContact O-N 2.82Å; F415-K418 HydrophobicContact CD2-CD 4.07Å; F415-K418 HydrophobicContact CE2-CD 3.85Å; F415-K418 HydrophobicContact CZ-CD 4.28Å; F415-K418 VanDerWaalsContact O-CB 3.27Å; F415-K418 WeakPolarHBondContact O-CB 3.25Å; F415-K418 WeakPolarHBondContact O-CG 3.48Å; F415-K418 PolarHBondContact O-N 3.33Å; F415-K418 VanDerWaalsContact O-N 3.15Å; F415-K418 PolarHBondContact O-NZ 2.87Å; F415-Y429 HydrophobicContact CB-CE2 4.43Å; F415-Y429 AromaticContact CD2-CD1 3.53Å; F415-Y429 HydrophobicContact CD2-CD1 3.53Å; F415-Y429 HydrophobicContact CD2-CD2 4.08Å; F415-Y429 AromaticContact CD2-CE1 3.55Å; F415-Y429 HydrophobicContact CD2-CE1 3.55Å; F415-Y429 HydrophobicContact CD2-CE2 4.13Å; F415-Y429 AromaticContact CD2-CG 3.78Å; F415-Y429 HydrophobicContact CD2-CG 3.78Å; F415-Y429 AromaticContact CD2-CZ 3.85Å; F415-Y429 AromaticContact CE2-CD1 3.71Å; F415-Y429 HydrophobicContact CE2-CD1 3.71Å; F415-Y429 AromaticContact CE2-CE1 3.97Å; F415-Y429 HydrophobicContact CE2-CE1 3.97Å; F415-Y429 HydrophobicContact CE2-CG 4.2Å
416	N	91.9	Very high	89.5	Confident	47 Å²	47	21.1 Å²	21.1	25%	0.251	11%	0.111	S	C	.	.	H	α-helix	trans	-67.2	-22.5	173.7	-72.5	-16.3	0	0	0	112.6	L251 Q254 S255 S412 F413 L414	L251-N416 WeakPolarHBondContact CD1-ND2 3.21Å; Q254-N416 HydrophobicContact CG-CB 4.5Å; Q254-N416 PolarHBondContact OE1-ND2 3.36Å; Q254-N416 VanDerWaalsContact OE1-ND2 3.16Å; S255-N416 WeakPolarHBondContact CB-ND2 3.36Å; S255-N416 PolarHBondContact OG-ND2 2.81Å; S255-N416 VanDerWaalsContact OG-ND2 3.11Å; S412-N416 PolarHBondContact O-N 2.96Å; S412-N416 VanDerWaalsContact O-N 3.08Å; F413-N416 PolarHBondContact O-N 2.87Å; L414-N416 VanDerWaalsContact C-N 3.31Å; L414-N416 PolarHBondContact O-N 3.45Å
417	M	91.2	Very high	88.6	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.7	173	-62.9	-168.6	-63.2	0	0	114.1	L211 F413 L414 F415 N419 I420 L421 V540	L211-M417 HydrophobicContact CD2-CE 3.77Å; L211-M417 HydrophobicContact CD2-SD 3.82Å; F413-M417 HydrophobicContact CD1-CE 3.62Å; F413-M417 HydrophobicContact CE1-CE 3.22Å; F413-M417 HydrophobicContact CE1-SD 3.91Å; F413-M417 HydrophobicContact CZ-CE 4.05Å; F413-M417 HydrophobicContact CZ-SD 4.14Å; F413-M417 PolarHBondContact O-N 3.3Å; L414-M417 HydrophobicContact CD2-CE 3.81Å; L414-M417 CarbonylContact O-C 3.31Å; L414-M417 WeakPolarHBondContact O-CA 3.36Å; L414-M417 PolarHBondContact O-N 3.41Å; F415-M417 PolarHBondContact O-N 2.82Å; M417-N419 VanDerWaalsContact C-N 3.27Å; M417-N419 PolarHBondContact O-N 3.47Å; M417-N419 VanDerWaalsContact O-N 3.11Å; M417-I420 PolarHBondContact O-N 3.47Å; M417-L421 HydrophobicContact CB-CD1 4.13Å; M417-L421 HydrophobicContact CB-CG 4.29Å; M417-L421 PolarHBondContact O-N 3.24Å; M417-V540 HydrophobicContact SD-CG1 4.45Å
418	K	88.9	Confident	88.1	Confident	35 Å²	35	27.7 Å²	27.7	15%	0.152	14%	0.141	C	C	.	.	H	α-helix	trans	-52.8	-38.6	-173.6	66.8	-177	163.4	-81.7	0	114.5	L414 F415 I420 L421 N422	L414-K418 PolarHBondContact O-N 2.95Å; F415-K418 HydrophobicContact CD2-CD 4.07Å; F415-K418 HydrophobicContact CE2-CD 3.85Å; F415-K418 HydrophobicContact CZ-CD 4.28Å; F415-K418 VanDerWaalsContact O-CB 3.27Å; F415-K418 WeakPolarHBondContact O-CB 3.25Å; F415-K418 WeakPolarHBondContact O-CG 3.48Å; F415-K418 PolarHBondContact O-N 3.33Å; F415-K418 VanDerWaalsContact O-N 3.15Å; F415-K418 PolarHBondContact O-NZ 2.87Å; K418-I420 VanDerWaalsContact C-N 3.3Å; K418-I420 PolarHBondContact O-N 2.04Å; K418-L421 PolarHBondContact O-N 3.31Å; K418-N422 WeakPolarHBondContact O-CB 3.44Å; K418-N422 PolarHBondContact O-N 3.12Å; K418-N422 PolarHBondContact O-ND2 2.81Å; K418-N422 PolarHBondContact O-OD1 3.49Å
419	N	84.6	Confident	87.4	Confident	67 Å²	67	27.8 Å²	27.8	36%	0.358	14%	0.142	S	C	.	.	H	α-helix	trans	-67.3	-32.5	-178.6	-68.1	-23	0	0	0	112.3	M417 S431	M417-N419 VanDerWaalsContact C-N 3.27Å; M417-N419 PolarHBondContact O-N 3.47Å; M417-N419 VanDerWaalsContact O-N 3.11Å; N419-S431 PolarHBondContact OD1-OG 3.31Å
420	I	87.2	Confident	86	Confident	21 Å²	21	31 Å²	31	11%	0.108	16%	0.163	C	C	.	.	H	α-helix	trans	-79.4	-45.8	177.4	-65	171.3	0	0	0	109.3	M417 K418 N422 R423 Y536 F537 V540	M417-I420 PolarHBondContact O-N 3.47Å; K418-I420 VanDerWaalsContact C-N 3.3Å; K418-I420 PolarHBondContact O-N 2.04Å; I420-N422 PolarHBondContact O-N 2.71Å; I420-R423 WeakPolarHBondContact O-CB 3.4Å; I420-R423 WeakPolarHBondContact O-CG 3.22Å; I420-R423 PolarHBondContact O-N 3.48Å; I420-R423 VanDerWaalsContact O-N 3.08Å; I420-Y536 HydrophobicContact CG2-CE1 3.83Å; I420-F537 HydrophobicContact CG2-CE1 4.27Å; I420-V540 HydrophobicContact CD1-CB 4.14Å; I420-V540 HydrophobicContact CD1-CG1 3.17Å; I420-V540 HydrophobicContact CD1-CG2 3.83Å; I420-V540 HydrophobicContact CG2-CG2 4.44Å
421	L	88.6	Confident	84.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-31.2	176.5	-68.4	172.7	0	0	0	112.7	V208 L309 L414 M417 K418 R423 Y424 Y425 F428 F537	V208-L421 HydrophobicContact CG2-CD2 3.85Å; L309-L421 HydrophobicContact CD2-CD2 4.15Å; L414-L421 HydrophobicContact CD2-CD1 4.1Å; M417-L421 HydrophobicContact CB-CD1 4.13Å; M417-L421 HydrophobicContact CB-CG 4.29Å; M417-L421 PolarHBondContact O-N 3.24Å; K418-L421 PolarHBondContact O-N 3.31Å; L421-R423 PolarHBondContact O-N 3.2Å; L421-R423 VanDerWaalsContact O-N 3.16Å; L421-Y424 PolarHBondContact O-N 2.55Å; L421-Y425 HydrophobicContact CB-CD2 4.44Å; L421-Y425 HydrophobicContact CD2-CD2 4.39Å; L421-Y425 HydrophobicContact CD2-CE2 4.25Å; L421-Y425 WeakPolarHBondContact O-CD2 3.08Å; L421-Y425 PolarHBondContact O-N 2.94Å; L421-F428 HydrophobicContact CB-CB 4.2Å; L421-F428 HydrophobicContact CB-CD1 3.95Å; L421-F428 HydrophobicContact CB-CG 4.07Å; L421-F428 HydrophobicContact CD1-CD1 3.61Å; L421-F428 HydrophobicContact CD1-CE1 3.47Å; L421-F428 VanDerWaalsContact CD1-CE1 3.47Å; L421-F428 HydrophobicContact CD1-CG 4.28Å; L421-F428 HydrophobicContact CD1-CZ 4.03Å; L421-F428 HydrophobicContact CG-CD1 4.44Å; L421-F537 HydrophobicContact CD2-CE1 3.74Å; L421-F537 HydrophobicContact CD2-CZ 4.23Å
422	N	84.3	Confident	82.5	Confident	39 Å²	39	40 Å²	40	21%	0.209	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.6	175.7	-80.1	-16.3	0	0	0	113.6	K418 I420 Y424 Y425 F428 Y429	K418-N422 WeakPolarHBondContact O-CB 3.44Å; K418-N422 PolarHBondContact O-N 3.12Å; K418-N422 PolarHBondContact O-ND2 2.81Å; K418-N422 PolarHBondContact O-OD1 3.49Å; I420-N422 PolarHBondContact O-N 2.71Å; N422-Y424 VanDerWaalsContact C-N 3.33Å; N422-Y425 WeakPolarHBondContact CA-O 3.47Å; N422-F428 WeakPolarHBondContact OD1-CB 3.31Å; N422-F428 PolarHBondContact OD1-N 3.36Å; N422-Y429 PolarHBondContact ND2-O 2.7Å
423	R	81.7	Confident	80.5	Confident	65 Å²	65	44.6 Å²	44.6	25%	0.245	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.7	171.2	-64	-175.4	-167.6	157.4	13.1	112.9	I420 L421 P437 T438 E443 Y536	I420-R423 WeakPolarHBondContact O-CB 3.4Å; I420-R423 WeakPolarHBondContact O-CG 3.22Å; I420-R423 PolarHBondContact O-N 3.48Å; I420-R423 VanDerWaalsContact O-N 3.08Å; L421-R423 PolarHBondContact O-N 3.2Å; L421-R423 VanDerWaalsContact O-N 3.16Å; R423-P437 HydrophobicContact CG-CB 3.83Å; R423-T438 PolarHBondContact NE-O 3.18Å; R423-T438 PolarHBondContact NH2-O 3.12Å; R423-E443 IonicContact CZ-OE1 2.69Å; R423-E443 IonicContact NH1-OE1 3.16Å; R423-E443 PolarHBondContact NH1-OE1 3.01Å; R423-E443 IonicContact NH2-OE1 3.36Å; R423-E443 PolarHBondContact NH2-OE1 3.22Å; R423-Y536 PolarHBondContact NH1-OH 2.93Å
424	Y	83.5	Confident	78.2	Confident	36 Å²	36	50.8 Å²	50.8	14%	0.141	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-33.1	-174.8	-54.2	-77.9	0	0	0	112	S196 I204 L421 N422 Y536 F537	S196-Y424 WeakPolarHBondContact CB-OH 3.46Å; S196-Y424 PolarHBondContact OG-OH 3.47Å; S196-Y424 VanDerWaalsContact OG-OH 3.07Å; I204-Y424 HydrophobicContact CD1-CD1 3.84Å; I204-Y424 HydrophobicContact CD1-CE1 3.59Å; I204-Y424 HydrophobicContact CD1-CG 4.48Å; I204-Y424 HydrophobicContact CG1-CD1 3.76Å; I204-Y424 HydrophobicContact CG1-CE1 4.06Å; I204-Y424 HydrophobicContact CG1-CG 4.26Å; I204-Y424 HydrophobicContact CG2-CD1 4.32Å; I204-Y424 HydrophobicContact CG2-CD2 4.18Å; I204-Y424 HydrophobicContact CG2-CG 3.96Å; L421-Y424 PolarHBondContact O-N 2.55Å; N422-Y424 VanDerWaalsContact C-N 3.33Å; Y424-Y536 HydrophobicContact CE2-CE1 4.37Å; Y424-F537 HydrophobicContact CD2-CZ 4.15Å; Y424-F537 AromaticContact CE2-CZ 3.86Å; Y424-F537 HydrophobicContact CE2-CZ 3.86Å
425	Y	83.9	Confident	76.3	Confident	12 Å²	12	57.8 Å²	57.8	5%	0.047	31%	0.313	C	S	.	.	S	Bend	trans	-123.3	100.9	-176.7	-53.5	-74.9	0	0	0	109	I201 I204 E205 K308 L309 L421 N422 E427 F428	I201-Y425 HydrophobicContact CG2-CE1 3.67Å; I204-Y425 HydrophobicContact CG2-CE2 3.86Å; E205-Y425 VanDerWaalsContact CG-OH 3.3Å; E205-Y425 WeakPolarHBondContact CG-OH 3.4Å; E205-Y425 PolarHBondContact N-OH 3Å; K308-Y425 HydrophobicContact CB-CD1 3.8Å; K308-Y425 HydrophobicContact CB-CE1 4.38Å; K308-Y425 HydrophobicContact CB-CG 4.19Å; K308-Y425 WeakPolarHBondContact O-CE1 3.46Å; L309-Y425 HydrophobicContact CD2-CD2 3.99Å; L309-Y425 HydrophobicContact CD2-CE2 3.44Å; L309-Y425 VanDerWaalsContact CD2-CE2 3.44Å; L421-Y425 HydrophobicContact CB-CD2 4.44Å; L421-Y425 HydrophobicContact CD2-CD2 4.39Å; L421-Y425 HydrophobicContact CD2-CE2 4.25Å; L421-Y425 WeakPolarHBondContact O-CD2 3.08Å; L421-Y425 PolarHBondContact O-N 2.94Å; N422-Y425 WeakPolarHBondContact CA-O 3.47Å; Y425-E427 PolarHBondContact O-N 3.26Å; Y425-F428 PolarHBondContact O-N 3.12Å; Y425-F428 VanDerWaalsContact O-N 3.15Å
426	S	76.7	Confident	74.9	Confident	96 Å²	96	66.1 Å²	66.1	67%	0.671	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	120.3	175.1	59.6	0	0	0	0	109.5	K308	K308-S426 PolarHBondContact NZ-O 3.13Å
427	E	72.7	Confident	73.5	Confident	139 Å²	139	67.1 Å²	67.1	65%	0.65	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	47.9	-179.4	-49	170.8	175.7	0	0	114.2	K308 Y425 Y429	K308-E427 VanDerWaalsContact NZ-C 3.34Å; K308-E427 PolarHBondContact NZ-O 2.83Å; Y425-E427 PolarHBondContact O-N 3.26Å; E427-Y429 PolarHBondContact O-N 3.37Å
428	F	81.6	Confident	72.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-59.3	-36.4	168.4	-176.4	-104.3	0	0	0	110.9	Y305 L306 K308 L309 L414 L421 N422 Y425	Y305-F428 WeakPolarHBondContact CB-O 3.46Å; Y305-F428 WeakPolarHBondContact CD1-O 3.39Å; Y305-F428 WeakPolarHBondContact CD2-O 3.25Å; Y305-F428 WeakPolarHBondContact O-CD2 3.39Å; Y305-F428 WeakPolarHBondContact O-CE2 3.28Å; L306-F428 HydrophobicContact CD2-CZ 4.39Å; K308-F428 HydrophobicContact CB-CD2 4.41Å; L309-F428 HydrophobicContact CD1-CE2 3.47Å; L309-F428 VanDerWaalsContact CD1-CE2 3.47Å; L309-F428 HydrophobicContact CD1-CZ 3.46Å; L309-F428 VanDerWaalsContact CD1-CZ 3.46Å; L309-F428 HydrophobicContact CD2-CD2 4.46Å; L309-F428 HydrophobicContact CD2-CE2 4.05Å; L309-F428 HydrophobicContact CG-CD2 4.31Å; L309-F428 HydrophobicContact CG-CE2 3.52Å; L309-F428 HydrophobicContact CG-CZ 4.06Å; L414-F428 HydrophobicContact CB-CE1 4.08Å; L414-F428 HydrophobicContact CB-CZ 4.2Å; L421-F428 HydrophobicContact CB-CB 4.2Å; L421-F428 HydrophobicContact CB-CD1 3.95Å; L421-F428 HydrophobicContact CB-CG 4.07Å; L421-F428 HydrophobicContact CD1-CD1 3.61Å; L421-F428 HydrophobicContact CD1-CE1 3.47Å; L421-F428 VanDerWaalsContact CD1-CE1 3.47Å; L421-F428 HydrophobicContact CD1-CG 4.28Å; L421-F428 HydrophobicContact CD1-CZ 4.03Å; L421-F428 HydrophobicContact CG-CD1 4.44Å; N422-F428 WeakPolarHBondContact OD1-CB 3.31Å; N422-F428 PolarHBondContact OD1-N 3.36Å; Y425-F428 PolarHBondContact O-N 3.12Å; Y425-F428 VanDerWaalsContact O-N 3.15Å
429	Y	80.2	Confident	72.2	Confident	1 Å²	1	70.1 Å²	70.1	0%	0.004	38%	0.381	C	S	.	.	S	Bend	trans	-145.7	138.9	159.4	-93.2	-99.1	0	0	0	107.9	A282 A285 V286 L302 Y305 F415 N422 E427 S431	A282-Y429 WeakPolarHBondContact O-CE1 3.39Å; A282-Y429 PolarHBondContact O-OH 2.95Å; A282-Y429 VanDerWaalsContact O-OH 3.08Å; A285-Y429 HydrophobicContact CB-CD1 4.23Å; A285-Y429 HydrophobicContact CB-CE1 4.27Å; V286-Y429 HydrophobicContact CG1-CE1 3.81Å; L302-Y429 WeakPolarHBondContact CD1-OH 3.48Å; Y305-Y429 AromaticContact CD2-CD1 3.91Å; Y305-Y429 HydrophobicContact CD2-CD1 3.91Å; Y305-Y429 AromaticContact CD2-CD2 3.91Å; Y305-Y429 HydrophobicContact CD2-CD2 3.91Å; Y305-Y429 AromaticContact CD2-CE1 3.92Å; Y305-Y429 HydrophobicContact CD2-CE1 3.92Å; Y305-Y429 AromaticContact CD2-CE2 3.89Å; Y305-Y429 HydrophobicContact CD2-CE2 3.89Å; Y305-Y429 AromaticContact CD2-CG 3.94Å; Y305-Y429 HydrophobicContact CD2-CG 3.94Å; Y305-Y429 AromaticContact CD2-CZ 3.92Å; Y305-Y429 AromaticContact CE2-CD1 3.77Å; Y305-Y429 HydrophobicContact CE2-CD1 3.77Å; Y305-Y429 HydrophobicContact CE2-CD2 4.49Å; Y305-Y429 HydrophobicContact CE2-CE1 4.03Å; Y305-Y429 HydrophobicContact CE2-CG 4.05Å; Y305-Y429 HydrophobicContact CG-CD2 4.45Å; F415-Y429 HydrophobicContact CB-CE2 4.43Å; F415-Y429 AromaticContact CD2-CD1 3.53Å; F415-Y429 HydrophobicContact CD2-CD1 3.53Å; F415-Y429 HydrophobicContact CD2-CD2 4.08Å; F415-Y429 AromaticContact CD2-CE1 3.55Å; F415-Y429 HydrophobicContact CD2-CE1 3.55Å; F415-Y429 HydrophobicContact CD2-CE2 4.13Å; F415-Y429 AromaticContact CD2-CG 3.78Å; F415-Y429 HydrophobicContact CD2-CG 3.78Å; F415-Y429 AromaticContact CD2-CZ 3.85Å; F415-Y429 AromaticContact CE2-CD1 3.71Å; F415-Y429 HydrophobicContact CE2-CD1 3.71Å; F415-Y429 AromaticContact CE2-CE1 3.97Å; F415-Y429 HydrophobicContact CE2-CE1 3.97Å; F415-Y429 HydrophobicContact CE2-CG 4.2Å; N422-Y429 PolarHBondContact ND2-O 2.7Å; E427-Y429 PolarHBondContact O-N 3.37Å; Y429-S431 PolarHBondContact O-N 2.96Å
430	P	64.4	Low	72.4	Confident	69 Å²	69	67.9 Å²	67.9	45%	0.448	37%	0.371	S	S	.	.			trans	-66.6	120	175.1	24.2	-30.9	0	0	0	109.1	Y305	Y305-P430 VanDerWaalsContact CZ-CD 3.45Å; Y305-P430 WeakPolarHBondContact OH-CD 3.41Å; Y305-P430 WeakPolarHBondContact OH-CG 3.45Å
431	S	58.8	Low	72.5	Confident	45 Å²	45	67.5 Å²	67.5	32%	0.315	37%	0.369	S	S	.	.			trans	-86.4	119.5	170.2	-66.7	0	0	0	0	108	N419 Y429 I433	N419-S431 PolarHBondContact OD1-OG 3.31Å; Y429-S431 PolarHBondContact O-N 2.96Å; S431-I433 WeakPolarHBondContact CB-O 3.42Å; S431-I433 PolarHBondContact O-N 3.47Å
432	T	54.3	Low	72.3	Confident	145 Å²	145	70.6 Å²	70.6	89%	0.89	39%	0.385	S	S	*	.	S	Bend	trans	-64.8	-18.5	172.5	48.7	0	0	0	0	112.5
433	I	53.1	Low	72.5	Confident	105 Å²	105	69 Å²	69	54%	0.538	38%	0.377	S	S	.	.	S	Bend	trans	-105.4	117.5	176	-50.6	173.1	0	0	0	107.1	S431 K435	S431-I433 WeakPolarHBondContact CB-O 3.42Å; S431-I433 PolarHBondContact O-N 3.47Å; I433-K435 HydrophobicContact CB-CG 4.46Å; I433-K435 HydrophobicContact CG2-CG 3.78Å; I433-K435 PolarHBondContact O-N 3.2Å
434	P	48	Very low	73	Confident	130 Å²	130	66 Å²	66	84%	0.844	37%	0.365	S	S	*	.			trans	-70.3	72.2	170.7	29.6	-32.6	0	0	0	109	K436	P434-K436 PolarHBondContact O-N 3.29Å
435	K	55.1	Low	73.1	Confident	148 Å²	148	64.8 Å²	64.8	64%	0.643	36%	0.361	S	S	*	.			trans	-78.3	115.1	162.8	-70.7	-167.5	177.2	-175.2	0	106	I433	I433-K435 HydrophobicContact CB-CG 4.46Å; I433-K435 HydrophobicContact CG2-CG 3.78Å; I433-K435 PolarHBondContact O-N 3.2Å
436	K	62.2	Low	73.1	Confident	187 Å²	187	68.4 Å²	68.4	81%	0.813	38%	0.378	S	S	*	.			trans	-45.6	135.2	165	-175.7	-178.3	176.7	-173.5	0	107.3	P434 T438	P434-K436 PolarHBondContact O-N 3.29Å; K436-T438 PolarHBondContact O-N 3.05Å; K436-T438 VanDerWaalsContact O-N 3.12Å
437	P	61.6	Low	73.6	Confident	68 Å²	68	64 Å²	64	44%	0.442	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-51.4	126.6	174.3	-22.8	31.3	0	0	0	108.6	R423 S439	R423-P437 HydrophobicContact CG-CB 3.83Å; P437-S439 PolarHBondContact O-N 3.38Å
438	T	71	Confident	74.4	Confident	58 Å²	58	57.4 Å²	57.4	36%	0.356	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-49.2	134	175	-52.4	0	0	0	0	107.9	R423 K436 D442 E443	R423-T438 PolarHBondContact NE-O 3.18Å; R423-T438 PolarHBondContact NH2-O 3.12Å; K436-T438 PolarHBondContact O-N 3.05Å; K436-T438 VanDerWaalsContact O-N 3.12Å; T438-D442 HydrophobicContact CG2-CB 3.38Å; T438-E443 HydrophobicContact CG2-CG 3.94Å
439	S	82.2	Confident	74.4	Confident	41 Å²	41	60 Å²	60	29%	0.287	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-76.4	162.6	174.7	69.3	0	0	0	0	110.4	P437 I441 D442 E443	P437-S439 PolarHBondContact O-N 3.38Å; S439-I441 PolarHBondContact O-N 3.45Å; S439-I441 PolarHBondContact OG-N 3.07Å; S439-D442 WeakPolarHBondContact CB-OD2 3.5Å; S439-D442 PolarHBondContact N-OD2 3.24Å; S439-D442 WeakPolarHBondContact O-CB 3.47Å; S439-D442 PolarHBondContact O-N 3.2Å; S439-D442 VanDerWaalsContact O-N 3.11Å; S439-D442 PolarHBondContact OG-N 3.43Å; S439-D442 PolarHBondContact OG-OD2 3.22Å; S439-E443 PolarHBondContact O-N 3.31Å; S439-E443 VanDerWaalsContact O-N 3.07Å
440	C	89.5	Confident	74.5	Confident	20 Å²	20	61 Å²	61	14%	0.135	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-31.3	171.2	-65.3	0	0	0	0	111.8	Y190 C193 T194 E443 V444	Y190-C440 HydrophobicContact CD2-CB 4.36Å; Y190-C440 HydrophobicContact CE2-CB 4.36Å; C193-C440 HydrophobicContact CB-CB 3.71Å; C193-C440 WeakPolarHBondContact CB-SG 3.31Å; C193-C440 PolarHBondContact O-SG 3.17Å; C193-C440 WeakPolarHBondContact SG-CA 3.18Å; C193-C440 WeakPolarHBondContact SG-CB 3.42Å; C193-C440 CovalentContact SG-SG 2.04Å; C193-C440 PolarHBondContact SG-SG 3.1Å; T194-C440 HydrophobicContact CG2-CB 4.09Å; C440-E443 PolarHBondContact O-N 3.3Å; C440-V444 VanDerWaalsContact O-CG2 3.27Å; C440-V444 WeakPolarHBondContact O-CG2 3.27Å; C440-V444 PolarHBondContact O-N 2.97Å
441	I	89	Confident	75.5	Confident	13 Å²	13	57.7 Å²	57.7	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-42.4	175.2	-60.3	-62.3	0	0	0	111.2	D165 I168 I169 Y190 S439 E443 V444 K445	D165-I441 HydrophobicContact CB-CG2 4.24Å; D165-I441 WeakPolarHBondContact OD1-CG2 3.35Å; I168-I441 HydrophobicContact CB-CD1 4.24Å; I168-I441 HydrophobicContact CB-CG2 4.09Å; I168-I441 HydrophobicContact CG1-CG2 4.35Å; I168-I441 HydrophobicContact CG2-CD1 3.76Å; I168-I441 HydrophobicContact CG2-CG2 4.09Å; I169-I441 HydrophobicContact CD1-CD1 4.4Å; I169-I441 HydrophobicContact CD1-CG1 4.5Å; I169-I441 HydrophobicContact CG1-CD1 3.47Å; I169-I441 VanDerWaalsContact CG1-CD1 3.47Å; I169-I441 HydrophobicContact CG1-CG1 4.07Å; Y190-I441 HydrophobicContact CD2-CD1 4.09Å; Y190-I441 HydrophobicContact CE2-CD1 3.36Å; Y190-I441 HydrophobicContact CE2-CG1 4.3Å; S439-I441 PolarHBondContact O-N 3.45Å; S439-I441 PolarHBondContact OG-N 3.07Å; I441-E443 VanDerWaalsContact C-N 3.32Å; I441-E443 PolarHBondContact O-N 3.27Å; I441-V444 PolarHBondContact O-N 3.49Å; I441-K445 HydrophobicContact CG2-CD 4.06Å; I441-K445 HydrophobicContact CG2-CG 4.38Å; I441-K445 WeakPolarHBondContact O-CB 3.29Å; I441-K445 VanDerWaalsContact O-CG 3.29Å; I441-K445 WeakPolarHBondContact O-CG 3.41Å; I441-K445 PolarHBondContact O-N 2.86Å
442	D	84.5	Confident	76.8	Confident	65 Å²	65	55.6 Å²	55.6	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-40.5	175.8	-62.6	-47.6	0	0	0	111.4	T438 S439 K445 E446	T438-D442 HydrophobicContact CG2-CB 3.38Å; S439-D442 WeakPolarHBondContact CB-OD2 3.5Å; S439-D442 PolarHBondContact N-OD2 3.24Å; S439-D442 WeakPolarHBondContact O-CB 3.47Å; S439-D442 PolarHBondContact O-N 3.2Å; S439-D442 VanDerWaalsContact O-N 3.11Å; S439-D442 PolarHBondContact OG-N 3.43Å; S439-D442 PolarHBondContact OG-OD2 3.22Å; D442-K445 PolarHBondContact O-N 3.33Å; D442-E446 WeakPolarHBondContact O-CB 3.46Å; D442-E446 PolarHBondContact O-N 2.91Å
443	E	89.1	Confident	78.1	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-41.9	174.8	-72.2	173.6	-110.3	0	0	112	Y189 C193 R423 T438 S439 C440 I441 E446 N447 Y536	Y189-E443 HydrophobicContact CE1-CB 3.68Å; Y189-E443 HydrophobicContact CE1-CG 4.48Å; Y189-E443 PolarHBondContact OH-OE2 2.81Å; Y189-E443 VanDerWaalsContact OH-OE2 3.12Å; C193-E443 PolarHBondContact SG-OE1 3.29Å; R423-E443 IonicContact CZ-OE1 2.69Å; R423-E443 IonicContact NH1-OE1 3.16Å; R423-E443 PolarHBondContact NH1-OE1 3.01Å; R423-E443 IonicContact NH2-OE1 3.36Å; R423-E443 PolarHBondContact NH2-OE1 3.22Å; T438-E443 HydrophobicContact CG2-CG 3.94Å; S439-E443 PolarHBondContact O-N 3.31Å; S439-E443 VanDerWaalsContact O-N 3.07Å; C440-E443 PolarHBondContact O-N 3.3Å; I441-E443 VanDerWaalsContact C-N 3.32Å; I441-E443 PolarHBondContact O-N 3.27Å; E443-E446 PolarHBondContact O-N 3Å; E443-N447 WeakPolarHBondContact O-CB 3.45Å; E443-N447 PolarHBondContact O-N 3.17Å; E443-N447 PolarHBondContact O-ND2 3.23Å; E443-Y536 PolarHBondContact OE1-OH 3.08Å; E443-Y536 WeakPolarHBondContact OE2-CE2 3.43Å; E443-Y536 PolarHBondContact OE2-OH 2.88Å
444	V	91.8	Very high	79.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-42.1	178	175.6	0	0	0	0	110.9	I168 M172 Y189 Y190 C440 I441 E446 N447 F448 I452	I168-V444 HydrophobicContact CG2-CG1 4.25Å; M172-V444 HydrophobicContact CE-CG1 4.21Å; M172-V444 HydrophobicContact CG-CG1 4.26Å; M172-V444 HydrophobicContact SD-CG1 3.79Å; Y189-V444 HydrophobicContact CD1-CG2 4.2Å; Y190-V444 HydrophobicContact CD2-CG2 3.97Å; Y190-V444 HydrophobicContact CG-CG2 4.36Å; C440-V444 VanDerWaalsContact O-CG2 3.27Å; C440-V444 WeakPolarHBondContact O-CG2 3.27Å; C440-V444 PolarHBondContact O-N 2.97Å; I441-V444 PolarHBondContact O-N 3.49Å; V444-E446 VanDerWaalsContact C-N 3.28Å; V444-E446 PolarHBondContact O-N 3.36Å; V444-N447 PolarHBondContact O-N 3.42Å; V444-F448 HydrophobicContact CG1-CB 4.5Å; V444-F448 HydrophobicContact CG1-CD2 4.23Å; V444-F448 WeakPolarHBondContact O-CB 3.49Å; V444-F448 PolarHBondContact O-N 2.8Å; V444-I452 HydrophobicContact CG1-CD1 4.19Å
445	K	86.1	Confident	81.2	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-40.3	174.4	-76.7	174.8	173.4	-175.3	0	112.2	T161 V163 D165 I168 I441 D442 I452	T161-K445 PolarHBondContact OG1-NZ 3.37Å; T161-K445 VanDerWaalsContact OG1-NZ 3.14Å; V163-K445 PolarHBondContact O-NZ 2.87Å; D165-K445 WeakPolarHBondContact OD1-CE 3.36Å; D165-K445 IonicContact OD1-NZ 3.64Å; D165-K445 PolarHBondContact OD1-NZ 3.2Å; I168-K445 HydrophobicContact CG1-CG 4.27Å; I441-K445 HydrophobicContact CG2-CD 4.06Å; I441-K445 HydrophobicContact CG2-CG 4.38Å; I441-K445 WeakPolarHBondContact O-CB 3.29Å; I441-K445 VanDerWaalsContact O-CG 3.29Å; I441-K445 WeakPolarHBondContact O-CG 3.41Å; I441-K445 PolarHBondContact O-N 2.86Å; D442-K445 PolarHBondContact O-N 3.33Å; K445-I452 HydrophobicContact CG-CD1 4.38Å
446	E	82.8	Confident	82.6	Confident	89 Å²	89	37.4 Å²	37.4	42%	0.416	18%	0.184	S	C	.	.	H	α-helix	trans	-75.3	-39.5	-178.5	-171	175.6	-169.2	0	0	112.8	D442 E443 V444 K547	D442-E446 WeakPolarHBondContact O-CB 3.46Å; D442-E446 PolarHBondContact O-N 2.91Å; E443-E446 PolarHBondContact O-N 3Å; V444-E446 VanDerWaalsContact C-N 3.28Å; V444-E446 PolarHBondContact O-N 3.36Å; E446-K547 WeakPolarHBondContact OE1-CE 3.47Å; E446-K547 IonicContact OE1-NZ 3.92Å; E446-K547 PolarHBondContact OE1-NZ 3.4Å; E446-K547 WeakPolarHBondContact OE2-CE 2.96Å; E446-K547 IonicContact OE2-NZ 2.73Å; E446-K547 PolarHBondContact OE2-NZ 3.11Å
447	N	88.3	Confident	83.6	Confident	2 Å²	2	35 Å²	35	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-88.8	-31.9	-174.7	-71.1	-66.9	0	0	0	114.1	Y189 E443 V444 S543	Y189-N447 PolarHBondContact OH-ND2 3.39Å; E443-N447 WeakPolarHBondContact O-CB 3.45Å; E443-N447 PolarHBondContact O-N 3.17Å; E443-N447 PolarHBondContact O-ND2 3.23Å; V444-N447 PolarHBondContact O-N 3.42Å; N447-S543 PolarHBondContact ND2-OG 3.13Å; N447-S543 WeakPolarHBondContact OD1-CA 3.46Å; N447-S543 WeakPolarHBondContact OD1-CB 3.34Å; N447-S543 PolarHBondContact OD1-OG 3.11Å
448	F	89.3	Confident	84.7	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.158	C	C	.	.	S	Bend	trans	-120.7	32.9	-171.1	-57.9	-82	0	0	0	111.9	A186 Y189 V444 W450 T451 I452 I526 F527 I531	A186-F448 HydrophobicContact CB-CB 3.75Å; A186-F448 HydrophobicContact CB-CD1 3.61Å; A186-F448 HydrophobicContact CB-CD2 3.94Å; A186-F448 HydrophobicContact CB-CE1 4.2Å; A186-F448 HydrophobicContact CB-CE2 4.5Å; A186-F448 HydrophobicContact CB-CG 3.47Å; A186-F448 VanDerWaalsContact CB-CG 3.47Å; Y189-F448 HydrophobicContact CD1-CE2 4.21Å; Y189-F448 AromaticContact CD2-CE2 3.65Å; Y189-F448 HydrophobicContact CD2-CE2 3.65Å; Y189-F448 AromaticContact CD2-CZ 3.88Å; Y189-F448 HydrophobicContact CD2-CZ 3.88Å; Y189-F448 HydrophobicContact CE2-CE2 4.47Å; Y189-F448 AromaticContact CG-CE2 3.5Å; Y189-F448 HydrophobicContact CG-CE2 3.5Å; Y189-F448 VanDerWaalsContact CG-CE2 3.5Å; Y189-F448 HydrophobicContact CG-CZ 4.03Å; V444-F448 HydrophobicContact CG1-CB 4.5Å; V444-F448 HydrophobicContact CG1-CD2 4.23Å; V444-F448 WeakPolarHBondContact O-CB 3.49Å; V444-F448 PolarHBondContact O-N 2.8Å; F448-W450 PolarHBondContact O-N 2.82Å; F448-T451 WeakPolarHBondContact O-CB 3.22Å; F448-T451 PolarHBondContact O-N 2.89Å; F448-T451 VanDerWaalsContact O-N 3.14Å; F448-I452 WeakPolarHBondContact O-CG1 3.43Å; F448-I452 PolarHBondContact O-N 3.19Å; F448-I526 HydrophobicContact CE1-CG1 4.28Å; F448-I526 HydrophobicContact CE1-CG2 4.36Å; F448-I526 HydrophobicContact CZ-CG1 4.17Å; F448-F527 HydrophobicContact CD1-CE1 4.07Å; F448-F527 AromaticContact CD1-CZ 3.9Å; F448-F527 HydrophobicContact CD1-CZ 3.9Å; F448-F527 AromaticContact CE1-CE1 3.96Å; F448-F527 HydrophobicContact CE1-CE1 3.96Å; F448-F527 HydrophobicContact CE1-CZ 4.22Å; F448-I531 HydrophobicContact CZ-CG1 4.35Å
449	R	82.1	Confident	85.3	Confident	55 Å²	55	30.4 Å²	30.4	21%	0.208	14%	0.141	C	C	.	.	H	α-helix	trans	-47.6	-53.9	-179.8	155.4	168.3	-69.5	179.4	-7	112.3	T451 I452 E453 D563 F565	R449-T451 PolarHBondContact O-N 3.07Å; R449-I452 PolarHBondContact O-N 2.04Å; R449-E453 WeakPolarHBondContact O-CB 3.1Å; R449-E453 PolarHBondContact O-N 3.05Å; R449-D563 IonicContact CZ-OD1 3.1Å; R449-D563 VanDerWaalsContact NH1-C 3.31Å; R449-D563 PolarHBondContact NH1-O 2.86Å; R449-D563 IonicContact NH1-OD1 3.01Å; R449-D563 PolarHBondContact NH1-OD1 3.35Å; R449-D563 IonicContact NH1-OD2 3.38Å; R449-D563 PolarHBondContact NH1-OD2 3.27Å; R449-F565 HydrophobicContact CB-CD1 4.45Å; R449-F565 HydrophobicContact CB-CE1 3.7Å; R449-F565 HydrophobicContact CB-CZ 3.8Å; R449-F565 HydrophobicContact CG-CD1 3.65Å; R449-F565 HydrophobicContact CG-CE1 3.39Å; R449-F565 HydrophobicContact CG-CE2 4.3Å; R449-F565 HydrophobicContact CG-CG 4.26Å; R449-F565 HydrophobicContact CG-CZ 3.71Å; R449-F565 VanDerWaalsContact O-CE1 3.28Å; R449-F565 WeakPolarHBondContact O-CE1 3.42Å
450	W	81.1	Confident	85.5	Confident	21 Å²	21	30.2 Å²	30.2	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-68.4	-35.7	-177.7	-50.5	121.2	0	0	0	112.8	F448 E453 K454 R520 E521	F448-W450 PolarHBondContact O-N 2.82Å; W450-E453 WeakPolarHBondContact CZ3-OE2 3.43Å; W450-E453 WeakPolarHBondContact O-CB 3.29Å; W450-E453 PolarHBondContact O-N 3.45Å; W450-K454 PolarHBondContact O-N 3.03Å; W450-K454 VanDerWaalsContact O-N 3.17Å; W450-R520 HydrophobicContact CD2-CB 3.75Å; W450-R520 HydrophobicContact CE3-CB 4.27Å; W450-R520 HydrophobicContact CG-CB 3.88Å; W450-E521 HydrophobicContact CB-CB 3.75Å; W450-E521 HydrophobicContact CB-CG 4.22Å; W450-E521 HydrophobicContact CG-CB 4.48Å
451	T	85.9	Confident	85.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-47	174.8	-47.3	0	0	0	0	110.8	F183 A186 F448 R449 E453 K454 Y455 E521 F527	F183-T451 HydrophobicContact CB-CG2 4.17Å; F183-T451 HydrophobicContact CD2-CG2 4.28Å; A186-T451 HydrophobicContact CB-CG2 4.23Å; F448-T451 WeakPolarHBondContact O-CB 3.22Å; F448-T451 PolarHBondContact O-N 2.89Å; F448-T451 VanDerWaalsContact O-N 3.14Å; R449-T451 PolarHBondContact O-N 3.07Å; T451-E453 VanDerWaalsContact C-N 3.31Å; T451-E453 PolarHBondContact O-N 3.36Å; T451-K454 WeakPolarHBondContact O-CB 3.19Å; T451-K454 PolarHBondContact O-N 3.21Å; T451-Y455 VanDerWaalsContact O-CD2 3.24Å; T451-Y455 WeakPolarHBondContact O-CD2 3.39Å; T451-E521 WeakPolarHBondContact CB-OE1 3.48Å; T451-E521 PolarHBondContact OG1-OE1 3Å; T451-F527 WeakPolarHBondContact OG1-CZ 3.39Å
452	I	85.4	Confident	85.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-45.7	175.4	-70	161.8	0	0	0	110.5	F167 I168 V444 K445 F448 R449 K454 Y455 H456	F167-I452 HydrophobicContact CE1-CG2 4.07Å; I168-I452 HydrophobicContact CD1-CB 4.24Å; I168-I452 HydrophobicContact CD1-CD1 3.65Å; I168-I452 HydrophobicContact CD1-CG1 3.78Å; I168-I452 HydrophobicContact CD1-CG2 3.4Å; V444-I452 HydrophobicContact CG1-CD1 4.19Å; K445-I452 HydrophobicContact CG-CD1 4.38Å; F448-I452 WeakPolarHBondContact O-CG1 3.43Å; F448-I452 PolarHBondContact O-N 3.19Å; R449-I452 PolarHBondContact O-N 2.04Å; I452-K454 VanDerWaalsContact C-N 3.27Å; I452-K454 PolarHBondContact O-N 2.69Å; I452-Y455 PolarHBondContact O-N 3.25Å; I452-H456 PolarHBondContact O-N 2.86Å
453	E	81.6	Confident	85.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-41.1	-178	-167.4	-174.7	117.9	0	0	112.3	R449 W450 T451 Y455 H456 S459 F565 T566 F567	R449-E453 WeakPolarHBondContact O-CB 3.1Å; R449-E453 PolarHBondContact O-N 3.05Å; W450-E453 WeakPolarHBondContact CZ3-OE2 3.43Å; W450-E453 WeakPolarHBondContact O-CB 3.29Å; W450-E453 PolarHBondContact O-N 3.45Å; T451-E453 VanDerWaalsContact C-N 3.31Å; T451-E453 PolarHBondContact O-N 3.36Å; E453-Y455 PolarHBondContact O-N 2.99Å; E453-Y455 VanDerWaalsContact O-N 3.12Å; E453-H456 PolarHBondContact O-N 3.44Å; E453-H456 VanDerWaalsContact O-N 3.09Å; E453-S459 WeakPolarHBondContact CG-OG 3.04Å; E453-S459 WeakPolarHBondContact O-CB 3.03Å; E453-S459 PolarHBondContact O-OG 2.74Å; E453-S459 VanDerWaalsContact O-OG 3.13Å; E453-F565 HydrophobicContact CB-CD1 4.27Å; E453-F565 WeakPolarHBondContact OE2-CA 3.33Å; E453-T566 WeakPolarHBondContact CG-OG1 3.02Å; E453-T566 WeakPolarHBondContact OE1-CB 3.48Å; E453-T566 WeakPolarHBondContact OE1-CG2 3.18Å; E453-T566 PolarHBondContact OE1-OG1 3.46Å; E453-T566 PolarHBondContact OE2-N 3.04Å; E453-F567 HydrophobicContact CG-CD1 4.35Å; E453-F567 HydrophobicContact CG-CE1 4.49Å
454	K	82.6	Confident	86.1	Confident	76 Å²	76	41.3 Å²	41.3	33%	0.33	20%	0.203	S	C	.	.	H	α-helix	trans	-54.5	-32.7	176.8	-173.4	179.8	179	-177.5	0	113.1	D180 W450 T451 I452	D180-K454 IonicContact OD2-NZ 2.76Å; D180-K454 PolarHBondContact OD2-NZ 3.32Å; W450-K454 PolarHBondContact O-N 3.03Å; W450-K454 VanDerWaalsContact O-N 3.17Å; T451-K454 WeakPolarHBondContact O-CB 3.19Å; T451-K454 PolarHBondContact O-N 3.21Å; I452-K454 VanDerWaalsContact C-N 3.27Å; I452-K454 PolarHBondContact O-N 2.69Å
455	Y	83.8	Confident	86.2	Confident	56 Å²	56	42.8 Å²	42.8	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-100.3	-3	-177.6	-65.2	-83.1	0	0	0	113.7	L171 N177 D180 F183 T451 I452 E453	L171-Y455 HydrophobicContact CD1-CD1 4.26Å; L171-Y455 HydrophobicContact CD1-CD2 4.43Å; L171-Y455 HydrophobicContact CD1-CG 3.86Å; L171-Y455 HydrophobicContact CD2-CG 4.5Å; N177-Y455 WeakPolarHBondContact ND2-CE1 3.48Å; D180-Y455 PolarHBondContact OD2-OH 3.39Å; F183-Y455 HydrophobicContact CB-CE2 4.03Å; F183-Y455 AromaticContact CD2-CD2 3.84Å; F183-Y455 HydrophobicContact CD2-CD2 3.84Å; F183-Y455 AromaticContact CD2-CE2 3.4Å; F183-Y455 HydrophobicContact CD2-CE2 3.4Å; F183-Y455 VanDerWaalsContact CD2-CE2 3.4Å; F183-Y455 AromaticContact CD2-CZ 3.88Å; F183-Y455 HydrophobicContact CE2-CD2 4.18Å; F183-Y455 HydrophobicContact CE2-CE2 4.11Å; F183-Y455 AromaticContact CG-CE2 3.91Å; F183-Y455 HydrophobicContact CG-CE2 3.91Å; T451-Y455 VanDerWaalsContact O-CD2 3.24Å; T451-Y455 WeakPolarHBondContact O-CD2 3.39Å; I452-Y455 PolarHBondContact O-N 3.25Å; E453-Y455 PolarHBondContact O-N 2.99Å; E453-Y455 VanDerWaalsContact O-N 3.12Å
456	H	83.9	Confident	86.5	Confident	14 Å²	14	46.3 Å²	46.3	7%	0.065	23%	0.229	C	C	.	.			trans	-83.7	125.5	-178.9	-166.5	-89.6	0	0	0	111.1	F167 I452 E453 Y458 S459 F567	F167-H456 AromaticContact CD1-CD2 3.85Å; F167-H456 HydrophobicContact CE1-CB 4.26Å; F167-H456 AromaticContact CE1-CD2 3.56Å; F167-H456 HydrophobicContact CZ-CB 4.1Å; F167-H456 AromaticContact CZ-CD2 3.84Å; I452-H456 PolarHBondContact O-N 2.86Å; E453-H456 PolarHBondContact O-N 3.44Å; E453-H456 VanDerWaalsContact O-N 3.09Å; H456-Y458 AromaticContact CE1-CD2 3.68Å; H456-Y458 AromaticContact CE1-CG 3.99Å; H456-Y458 PolarHBondContact ND1-N 3.11Å; H456-Y458 PolarHBondContact O-N 3.45Å; H456-Y458 VanDerWaalsContact O-N 3.16Å; H456-S459 VanDerWaalsContact O-CB 3.32Å; H456-S459 WeakPolarHBondContact O-CB 3.38Å; H456-S459 PolarHBondContact O-N 3.07Å; H456-F567 HydrophobicContact CB-CD1 3.72Å; H456-F567 HydrophobicContact CB-CE1 4.19Å; H456-F567 AromaticContact CE1-CG 3.73Å; H456-F567 AromaticContact CG-CD1 3.53Å; H456-F567 AromaticContact CG-CG 3.94Å; H456-F567 WeakPolarHBondContact ND1-CB 3.45Å; H456-F567 AromaticContact ND1-CD1 3.51Å; H456-F567 AromaticContact ND1-CG 3.45Å; H456-F567 WeakPolarHBondContact ND1-CG 3.49Å
457	K	83.6	Confident	87.1	Confident	137 Å²	137	44.9 Å²	44.9	60%	0.596	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-56.7	-35.8	-175.2	60.6	171	176.8	166.4	0	113.8	S459	K457-S459 VanDerWaalsContact C-N 3.28Å; K457-S459 PolarHBondContact O-N 3.01Å
458	Y	84.9	Confident	87.4	Confident	29 Å²	29	47.3 Å²	47.3	11%	0.114	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-87.1	5.7	-178.1	-55.5	-36.6	0	0	0	113.7	H456 S460 F567 A584 N588 P589	H456-Y458 AromaticContact CE1-CD2 3.68Å; H456-Y458 AromaticContact CE1-CG 3.99Å; H456-Y458 PolarHBondContact ND1-N 3.11Å; H456-Y458 PolarHBondContact O-N 3.45Å; H456-Y458 VanDerWaalsContact O-N 3.16Å; Y458-S460 VanDerWaalsContact C-N 3.26Å; Y458-F567 WeakPolarHBondContact O-CA 3.33Å; Y458-A584 CarbonylContact O-C 3.58Å; Y458-A584 VanDerWaalsContact O-CB 3.26Å; Y458-A584 WeakPolarHBondContact O-CB 3.5Å; Y458-N588 HydrophobicContact CD1-CB 3.65Å; Y458-N588 WeakPolarHBondContact CD1-OD1 2.89Å; Y458-N588 HydrophobicContact CE1-CB 4.29Å; Y458-N588 HydrophobicContact CG-CB 3.91Å; Y458-N588 PolarHBondContact O-ND2 3.4Å; Y458-P589 HydrophobicContact CE1-CG 4.48Å
459	S	83.5	Confident	87.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-82.3	-8.2	169.5	-73.6	0	0	0	0	113.1	E453 H456 K457 T511 S512 T566 F567	E453-S459 WeakPolarHBondContact CG-OG 3.04Å; E453-S459 WeakPolarHBondContact O-CB 3.03Å; E453-S459 PolarHBondContact O-OG 2.74Å; E453-S459 VanDerWaalsContact O-OG 3.13Å; H456-S459 VanDerWaalsContact O-CB 3.32Å; H456-S459 WeakPolarHBondContact O-CB 3.38Å; H456-S459 PolarHBondContact O-N 3.07Å; K457-S459 VanDerWaalsContact C-N 3.28Å; K457-S459 PolarHBondContact O-N 3.01Å; S459-T511 CarbonylContact O-C 3.07Å; S459-T511 WeakPolarHBondContact O-CA 3.37Å; S459-T511 VanDerWaalsContact O-CB 3.27Å; S459-T511 WeakPolarHBondContact O-CB 3.44Å; S459-S512 PolarHBondContact O-N 2.78Å; S459-S512 PolarHBondContact O-OG 2.93Å; S459-T566 VanDerWaalsContact CB-OG1 3.23Å; S459-T566 WeakPolarHBondContact CB-OG1 3.34Å; S459-T566 PolarHBondContact OG-OG1 2.98Å; S459-F567 VanDerWaalsContact OG-CD1 3.3Å; S459-F567 WeakPolarHBondContact OG-CD1 3.44Å
460	S	86.3	Confident	88.5	Confident	37 Å²	37	47.6 Å²	47.6	26%	0.259	25%	0.249	S	C	.	.			trans	-124.2	163.4	176.3	-71.2	0	0	0	0	110.1	Y458 S512 N588	Y458-S460 VanDerWaalsContact C-N 3.26Å; S460-S512 PolarHBondContact OG-OG 3.49Å; S460-N588 PolarHBondContact O-ND2 3.28Å; S460-N588 VanDerWaalsContact O-ND2 3.09Å
461	I	89.4	Confident	89.2	Confident	30 Å²	30	52 Å²	52	15%	0.154	27%	0.271	C	S	.	.			trans	-131.7	164.2	171.2	59	169.8	0	0	0	109.3	T465 E466 I509 T511 A584 L587	I461-T465 HydrophobicContact CB-CG2 4.27Å; I461-T465 HydrophobicContact CD1-CG2 4.35Å; I461-T465 HydrophobicContact CG2-CG2 4.49Å; I461-E466 HydrophobicContact CD1-CB 3.67Å; I461-E466 HydrophobicContact CD1-CG 4.49Å; I461-E466 HydrophobicContact CG1-CB 4.37Å; I461-I509 HydrophobicContact CD1-CD1 4.02Å; I461-I509 HydrophobicContact CD1-CG2 3.72Å; I461-T511 HydrophobicContact CG1-CG2 4.07Å; I461-A584 HydrophobicContact CG2-CB 4.19Å; I461-L587 HydrophobicContact CD1-CD1 3.94Å; I461-L587 HydrophobicContact CG2-CB 3.75Å
462	S	91.5	Very high	89.7	Confident	52 Å²	52	52.1 Å²	52.1	36%	0.364	27%	0.271	S	S	.	.			trans	-73.1	150.9	172.3	77.1	0	0	0	0	110.8	S464 T465 E466	S462-S464 PolarHBondContact O-N 3.38Å; S462-S464 PolarHBondContact OG-OG 2.91Å; S462-T465 WeakPolarHBondContact O-CB 3.39Å; S462-T465 PolarHBondContact O-N 3.38Å; S462-T465 WeakPolarHBondContact OG-CB 3.41Å; S462-T465 PolarHBondContact OG-N 3.26Å; S462-T465 PolarHBondContact OG-OG1 3.45Å; S462-E466 PolarHBondContact O-N 3.16Å
463	E	91.7	Very high	90.3	Very high	170 Å²	170	52.1 Å²	52.1	79%	0.794	27%	0.271	S	S	*	.	H	α-helix	trans	-57	-33.9	173.8	-67.9	177.3	-175.4	0	0	111.7	E466 A467	E463-E466 PolarHBondContact O-N 3.02Å; E463-A467 WeakPolarHBondContact O-CB 3.5Å; E463-A467 PolarHBondContact O-N 3.32Å
464	S	92.9	Very high	91	Very high	86 Å²	86	56.7 Å²	56.7	60%	0.601	29%	0.293	S	S	*	.	H	α-helix	trans	-65.5	-41.3	174	42	0	0	0	0	112.9	S462 E466 E468	S462-S464 PolarHBondContact O-N 3.38Å; S462-S464 PolarHBondContact OG-OG 2.91Å; S464-E466 VanDerWaalsContact C-N 3.34Å; S464-E468 WeakPolarHBondContact O-CB 3.2Å; S464-E468 PolarHBondContact O-N 3.01Å
465	T	93.2	Very high	91.7	Very high	31 Å²	31	56.1 Å²	56.1	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-42.1	176.4	-57.1	0	0	0	0	110.5	I461 S462 E468 V469 L592	I461-T465 HydrophobicContact CB-CG2 4.27Å; I461-T465 HydrophobicContact CD1-CG2 4.35Å; I461-T465 HydrophobicContact CG2-CG2 4.49Å; S462-T465 WeakPolarHBondContact O-CB 3.39Å; S462-T465 PolarHBondContact O-N 3.38Å; S462-T465 WeakPolarHBondContact OG-CB 3.41Å; S462-T465 PolarHBondContact OG-N 3.26Å; S462-T465 PolarHBondContact OG-OG1 3.45Å; T465-E468 PolarHBondContact O-N 2.76Å; T465-V469 HydrophobicContact CG2-CG2 4.31Å; T465-V469 WeakPolarHBondContact O-CB 3.21Å; T465-V469 VanDerWaalsContact O-CG2 3.24Å; T465-V469 WeakPolarHBondContact O-CG2 3.29Å; T465-V469 PolarHBondContact O-N 2.78Å; T465-L592 HydrophobicContact CG2-CD2 3.63Å
466	E	93.4	Very high	92.2	Very high	84 Å²	84	53.5 Å²	53.5	39%	0.393	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-52.2	176.8	175.5	164.6	-173.7	0	0	111.6	I461 S462 E463 S464 E468 V469 L470 I509	I461-E466 HydrophobicContact CD1-CB 3.67Å; I461-E466 HydrophobicContact CD1-CG 4.49Å; I461-E466 HydrophobicContact CG1-CB 4.37Å; S462-E466 PolarHBondContact O-N 3.16Å; E463-E466 PolarHBondContact O-N 3.02Å; S464-E466 VanDerWaalsContact C-N 3.34Å; E466-E468 VanDerWaalsContact C-N 3.3Å; E466-E468 PolarHBondContact O-N 2.95Å; E466-V469 PolarHBondContact O-N 2.98Å; E466-L470 HydrophobicContact CG-CD1 4.01Å; E466-L470 WeakPolarHBondContact O-CB 3.47Å; E466-L470 VanDerWaalsContact O-CG 3.29Å; E466-L470 WeakPolarHBondContact O-CG 3.35Å; E466-L470 PolarHBondContact O-N 3.36Å; E466-I509 HydrophobicContact CB-CD1 4.4Å; E466-I509 HydrophobicContact CG-CD1 4.09Å
467	A	95.3	Very high	92.8	Very high	60 Å²	60	53.3 Å²	53.3	50%	0.496	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-41.8	179.3	0	0	0	0	0	112.2	E463 Q471	E463-A467 WeakPolarHBondContact O-CB 3.5Å; E463-A467 PolarHBondContact O-N 3.32Å; A467-Q471 WeakPolarHBondContact O-CB 3.26Å; A467-Q471 PolarHBondContact O-N 3.36Å
468	E	94.9	Very high	93.4	Very high	52 Å²	52	50.3 Å²	50.3	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-43.8	-180	-171.3	179.2	79.5	0	0	112.5	S464 T465 E466 L470 Q471 M472 K601	S464-E468 WeakPolarHBondContact O-CB 3.2Å; S464-E468 PolarHBondContact O-N 3.01Å; T465-E468 PolarHBondContact O-N 2.76Å; E466-E468 VanDerWaalsContact C-N 3.3Å; E466-E468 PolarHBondContact O-N 2.95Å; E468-L470 PolarHBondContact O-N 3.46Å; E468-Q471 WeakPolarHBondContact O-CB 2.86Å; E468-Q471 PolarHBondContact O-N 3.03Å; E468-M472 WeakPolarHBondContact O-CG 3.37Å; E468-M472 PolarHBondContact O-N 2.82Å; E468-K601 WeakPolarHBondContact OE1-CD 3.39Å; E468-K601 WeakPolarHBondContact OE1-CE 3.36Å; E468-K601 IonicContact OE1-NZ 2.7Å; E468-K601 PolarHBondContact OE1-NZ 2.83Å; E468-K601 IonicContact OE2-NZ 2.71Å; E468-K601 PolarHBondContact OE2-NZ 2.79Å
469	V	95.8	Very high	93.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-40.3	178.2	170.4	0	0	0	0	111.3	T465 E466 Q471 M472 F473 L507 I509 L587 I605 I609	T465-V469 HydrophobicContact CG2-CG2 4.31Å; T465-V469 WeakPolarHBondContact O-CB 3.21Å; T465-V469 VanDerWaalsContact O-CG2 3.24Å; T465-V469 WeakPolarHBondContact O-CG2 3.29Å; T465-V469 PolarHBondContact O-N 2.78Å; E466-V469 PolarHBondContact O-N 2.98Å; V469-Q471 VanDerWaalsContact C-N 3.33Å; V469-M472 PolarHBondContact O-N 3.17Å; V469-F473 PolarHBondContact O-N 3.1Å; V469-L507 HydrophobicContact CG1-CD2 3.83Å; V469-I509 HydrophobicContact CB-CD1 4.01Å; V469-I509 HydrophobicContact CG1-CD1 3.84Å; V469-L587 HydrophobicContact CG1-CD1 4.24Å; V469-L587 HydrophobicContact CG1-CD2 4.18Å; V469-L587 HydrophobicContact CG2-CD1 4.24Å; V469-L587 HydrophobicContact CG2-CD2 3.77Å; V469-I605 HydrophobicContact CG1-CG2 4.48Å; V469-I605 HydrophobicContact CG2-CG2 4.42Å; V469-I609 HydrophobicContact CG1-CD1 3.94Å
470	L	96.8	Very high	94.3	Very high	61 Å²	61	50 Å²	50	32%	0.319	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-40.5	174.1	-70	173.7	0	0	0	111.4	E466 E468 F473 E474 L507 I509	E466-L470 HydrophobicContact CG-CD1 4.01Å; E466-L470 WeakPolarHBondContact O-CB 3.47Å; E466-L470 VanDerWaalsContact O-CG 3.29Å; E466-L470 WeakPolarHBondContact O-CG 3.35Å; E466-L470 PolarHBondContact O-N 3.36Å; E468-L470 PolarHBondContact O-N 3.46Å; L470-F473 WeakPolarHBondContact O-CB 2.87Å; L470-F473 PolarHBondContact O-N 3.41Å; L470-E474 PolarHBondContact O-N 3.28Å; L470-L507 HydrophobicContact CD2-CB 4.19Å; L470-L507 HydrophobicContact CD2-CD2 4.34Å; L470-L507 HydrophobicContact CD2-CG 4.4Å; L470-I509 HydrophobicContact CG-CD1 4.37Å
471	Q	96.4	Very high	94.6	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-46.8	174.8	-179.3	-179.7	-16.7	0	0	111.7	A467 E468 V469 F473 E474 E475	A467-Q471 WeakPolarHBondContact O-CB 3.26Å; A467-Q471 PolarHBondContact O-N 3.36Å; E468-Q471 WeakPolarHBondContact O-CB 2.86Å; E468-Q471 PolarHBondContact O-N 3.03Å; V469-Q471 VanDerWaalsContact C-N 3.33Å; Q471-F473 PolarHBondContact O-N 3.12Å; Q471-E474 PolarHBondContact O-N 3.42Å; Q471-E474 VanDerWaalsContact O-N 3.1Å; Q471-E475 HydrophobicContact CG-CG 4.49Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.41Å; Q471-E475 PolarHBondContact NE2-OE1 3.46Å; Q471-E475 WeakPolarHBondContact O-CG 3.38Å; Q471-E475 PolarHBondContact O-N 2.75Å
472	M	96.6	Very high	94.7	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-38.4	176	-71.1	174	65.5	0	0	111.8	E468 V469 E475 L476 M598 K601 Y602 I605	E468-M472 WeakPolarHBondContact O-CG 3.37Å; E468-M472 PolarHBondContact O-N 2.82Å; V469-M472 PolarHBondContact O-N 3.17Å; M472-E475 PolarHBondContact O-N 3.11Å; M472-L476 WeakPolarHBondContact O-CB 3.08Å; M472-L476 VanDerWaalsContact O-CG 3.25Å; M472-L476 WeakPolarHBondContact O-CG 3Å; M472-L476 PolarHBondContact O-N 2.99Å; M472-M598 HydrophobicContact CG-CE 4.41Å; M472-K601 HydrophobicContact CE-CB 4.02Å; M472-K601 HydrophobicContact SD-CB 4.15Å; M472-Y602 HydrophobicContact CB-CE1 4.44Å; M472-Y602 HydrophobicContact CE-CD1 3.94Å; M472-Y602 HydrophobicContact CE-CD2 4.26Å; M472-Y602 HydrophobicContact CE-CE1 3.99Å; M472-Y602 HydrophobicContact CE-CE2 4.35Å; M472-Y602 HydrophobicContact CE-CG 4.04Å; M472-Y602 HydrophobicContact CG-CE1 4.45Å; M472-Y602 HydrophobicContact CG-CE2 4.29Å; M472-I605 HydrophobicContact CE-CB 4.45Å
473	F	97.4	Very high	94.6	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-43	175.9	177.4	-115.1	0	0	0	113.1	V469 L470 Q471 E475 L476 K477 F505 L507 I580 I609 L613	V469-F473 PolarHBondContact O-N 3.1Å; L470-F473 WeakPolarHBondContact O-CB 2.87Å; L470-F473 PolarHBondContact O-N 3.41Å; Q471-F473 PolarHBondContact O-N 3.12Å; F473-E475 VanDerWaalsContact C-N 3.34Å; F473-L476 PolarHBondContact O-N 2.02Å; F473-K477 HydrophobicContact CD1-CD 4.4Å; F473-K477 HydrophobicContact CE1-CD 3.75Å; F473-K477 VanDerWaalsContact CE1-CE 3.44Å; F473-K477 HydrophobicContact CE1-CG 4.43Å; F473-K477 HydrophobicContact CE2-CD 4.3Å; F473-K477 HydrophobicContact CE2-CG 4.21Å; F473-K477 HydrophobicContact CZ-CD 3.72Å; F473-K477 HydrophobicContact CZ-CG 4.13Å; F473-K477 PolarHBondContact O-N 2.83Å; F473-F505 WeakPolarHBondContact CE1-O 3.46Å; F473-F505 HydrophobicContact CZ-CB 3.99Å; F473-L507 HydrophobicContact CB-CB 4.25Å; F473-L507 HydrophobicContact CB-CD2 3.75Å; F473-L507 HydrophobicContact CD1-CB 3.46Å; F473-L507 VanDerWaalsContact CD1-CB 3.46Å; F473-L507 HydrophobicContact CD2-CB 4.23Å; F473-L507 HydrophobicContact CE1-CB 3.74Å; F473-L507 HydrophobicContact CE2-CB 4.46Å; F473-L507 HydrophobicContact CG-CB 3.71Å; F473-L507 HydrophobicContact CG-CD2 4.04Å; F473-L507 HydrophobicContact CG-CG 4.44Å; F473-L507 HydrophobicContact CZ-CB 4.22Å; F473-I580 HydrophobicContact CE2-CD1 4.04Å; F473-I580 HydrophobicContact CZ-CD1 4.47Å; F473-I609 HydrophobicContact CB-CG2 4.36Å; F473-I609 HydrophobicContact CD2-CG2 3.44Å; F473-I609 VanDerWaalsContact CD2-CG2 3.44Å; F473-I609 HydrophobicContact CE2-CG2 4.19Å; F473-I609 HydrophobicContact CG-CG2 4.35Å; F473-L613 HydrophobicContact CE2-CD1 4.38Å; F473-L613 HydrophobicContact CE2-CD2 4.5Å
474	E	97.3	Very high	94.4	Very high	97 Å²	97	42.2 Å²	42.2	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-37.5	175.3	-65	-57.4	143.3	0	0	112.2	L470 Q471 K477 T478	L470-E474 PolarHBondContact O-N 3.28Å; Q471-E474 PolarHBondContact O-N 3.42Å; Q471-E474 VanDerWaalsContact O-N 3.1Å; E474-K477 PolarHBondContact O-N 2.99Å; E474-K477 VanDerWaalsContact OE1-CE 3.24Å; E474-K477 WeakPolarHBondContact OE1-CE 3.3Å; E474-K477 IonicContact OE1-NZ 2.65Å; E474-K477 PolarHBondContact OE1-NZ 3.19Å; E474-K477 WeakPolarHBondContact OE2-CE 3.49Å; E474-K477 IonicContact OE2-NZ 2.69Å; E474-K477 PolarHBondContact OE2-NZ 2.6Å; E474-T478 WeakPolarHBondContact O-CB 3Å; E474-T478 PolarHBondContact O-N 3.08Å; E474-T478 PolarHBondContact O-OG1 2.88Å
475	E	96	Very high	94.2	Very high	64 Å²	64	40.9 Å²	40.9	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-41.4	175.1	-71.1	174.2	-169.1	0	0	111.8	Q471 M472 F473 T478 T479 Y602 T678	Q471-E475 HydrophobicContact CG-CG 4.49Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.41Å; Q471-E475 PolarHBondContact NE2-OE1 3.46Å; Q471-E475 WeakPolarHBondContact O-CG 3.38Å; Q471-E475 PolarHBondContact O-N 2.75Å; M472-E475 PolarHBondContact O-N 3.11Å; F473-E475 VanDerWaalsContact C-N 3.34Å; E475-T478 PolarHBondContact O-N 2.72Å; E475-T479 WeakPolarHBondContact O-CB 3.16Å; E475-T479 PolarHBondContact O-N 2.71Å; E475-T479 PolarHBondContact O-OG1 2.7Å; E475-Y602 WeakPolarHBondContact CB-OH 3.47Å; E475-Y602 PolarHBondContact OE2-OH 2.9Å; E475-T678 HydrophobicContact CB-CG2 3.72Å
476	L	96.1	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-45.6	173.3	-72.8	164.9	0	0	0	111.7	M472 F473 T478 T479 L480 Y602 I609 L674 T678	M472-L476 WeakPolarHBondContact O-CB 3.08Å; M472-L476 VanDerWaalsContact O-CG 3.25Å; M472-L476 WeakPolarHBondContact O-CG 3Å; M472-L476 PolarHBondContact O-N 2.99Å; F473-L476 PolarHBondContact O-N 2.02Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 3.36Å; L476-T479 PolarHBondContact O-N 3.1Å; L476-L480 WeakPolarHBondContact O-CB 3.47Å; L476-L480 PolarHBondContact O-N 3.29Å; L476-Y602 HydrophobicContact CD2-CE1 4.35Å; L476-Y602 HydrophobicContact CG-CE1 4.35Å; L476-I609 HydrophobicContact CD1-CB 3.81Å; L476-I609 HydrophobicContact CD1-CG2 3.51Å; L476-L674 HydrophobicContact CD2-CD2 4.37Å; L476-L674 HydrophobicContact CD2-CG 3.9Å; L476-T678 HydrophobicContact CD2-CG2 4.48Å
477	K	95.9	Very high	93.3	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-39.7	176.5	-76.5	-170.4	-63.5	175.6	0	112.6	F473 E474 L480 S481 A502 F505 L613	F473-K477 HydrophobicContact CD1-CD 4.4Å; F473-K477 HydrophobicContact CE1-CD 3.75Å; F473-K477 VanDerWaalsContact CE1-CE 3.44Å; F473-K477 HydrophobicContact CE1-CG 4.43Å; F473-K477 HydrophobicContact CE2-CD 4.3Å; F473-K477 HydrophobicContact CE2-CG 4.21Å; F473-K477 HydrophobicContact CZ-CD 3.72Å; F473-K477 HydrophobicContact CZ-CG 4.13Å; F473-K477 PolarHBondContact O-N 2.83Å; E474-K477 PolarHBondContact O-N 2.99Å; E474-K477 VanDerWaalsContact OE1-CE 3.24Å; E474-K477 WeakPolarHBondContact OE1-CE 3.3Å; E474-K477 IonicContact OE1-NZ 2.65Å; E474-K477 PolarHBondContact OE1-NZ 3.19Å; E474-K477 WeakPolarHBondContact OE2-CE 3.49Å; E474-K477 IonicContact OE2-NZ 2.69Å; E474-K477 PolarHBondContact OE2-NZ 2.6Å; K477-L480 PolarHBondContact O-N 2.86Å; K477-S481 WeakPolarHBondContact O-CB 3.47Å; K477-S481 PolarHBondContact O-N 2.83Å; K477-S481 PolarHBondContact O-OG 2.94Å; K477-A502 WeakPolarHBondContact CD-O 3.4Å; K477-F505 PolarHBondContact NZ-O 3.19Å; K477-F505 VanDerWaalsContact NZ-O 3.1Å; K477-L613 HydrophobicContact CG-CD2 3.94Å
478	T	94.9	Very high	92.4	Very high	73 Å²	73	41.2 Å²	41.2	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-49.7	176.3	-57.6	0	0	0	0	110.2	E474 E475 L476 L480 S481 D482	E474-T478 WeakPolarHBondContact O-CB 3Å; E474-T478 PolarHBondContact O-N 3.08Å; E474-T478 PolarHBondContact O-OG1 2.88Å; E475-T478 PolarHBondContact O-N 2.72Å; L476-T478 VanDerWaalsContact C-N 3.33Å; L476-T478 PolarHBondContact O-N 3.36Å; T478-L480 VanDerWaalsContact C-N 3.28Å; T478-L480 PolarHBondContact O-N 3.28Å; T478-S481 WeakPolarHBondContact O-CB 3.38Å; T478-S481 PolarHBondContact O-N 3.08Å; T478-S481 VanDerWaalsContact O-N 3.1Å; T478-D482 PolarHBondContact O-N 3.32Å
479	T	94.5	Very high	91.4	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-39.3	177.6	-54.7	0	0	0	0	112	E475 L476 S483 L674 K677 T678	E475-T479 WeakPolarHBondContact O-CB 3.16Å; E475-T479 PolarHBondContact O-N 2.71Å; E475-T479 PolarHBondContact O-OG1 2.7Å; L476-T479 PolarHBondContact O-N 3.1Å; T479-S483 WeakPolarHBondContact O-CB 3.37Å; T479-S483 PolarHBondContact O-N 3.07Å; T479-S483 PolarHBondContact O-OG 3.22Å; T479-L674 HydrophobicContact CG2-CD1 3.89Å; T479-K677 HydrophobicContact CG2-CB 4.06Å; T479-K677 HydrophobicContact CG2-CD 3.93Å; T479-K677 HydrophobicContact CG2-CG 3.78Å; T479-T678 WeakPolarHBondContact CB-OG1 3.44Å; T479-T678 WeakPolarHBondContact CG2-OG1 3.42Å; T479-T678 PolarHBondContact OG1-OG1 2.04Å
480	L	92.9	Very high	90.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-47.4	175	176.3	55.4	0	0	0	111	L476 K477 T478 D482 S483 L484 A502 L613 M614 V617 L674 W754	L476-L480 WeakPolarHBondContact O-CB 3.47Å; L476-L480 PolarHBondContact O-N 3.29Å; K477-L480 PolarHBondContact O-N 2.86Å; T478-L480 VanDerWaalsContact C-N 3.28Å; T478-L480 PolarHBondContact O-N 3.28Å; L480-D482 VanDerWaalsContact C-N 3.35Å; L480-D482 PolarHBondContact O-N 2.59Å; L480-S483 PolarHBondContact O-N 3.33Å; L480-L484 HydrophobicContact CD1-CD1 3.94Å; L480-L484 HydrophobicContact CD1-CG 4.07Å; L480-L484 HydrophobicContact CG-CD1 3.97Å; L480-L484 WeakPolarHBondContact O-CB 3.5Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.08Å; L480-L484 PolarHBondContact O-N 2.71Å; L480-A502 HydrophobicContact CD2-CB 3.69Å; L480-A502 HydrophobicContact CG-CB 4.2Å; L480-L613 HydrophobicContact CD2-CD2 3.77Å; L480-L613 HydrophobicContact CD2-CG 3.91Å; L480-M614 HydrophobicContact CD1-SD 4.17Å; L480-V617 HydrophobicContact CD2-CG2 4.41Å; L480-L674 HydrophobicContact CB-CD1 3.91Å; L480-L674 HydrophobicContact CB-CD2 4.24Å; L480-W754 HydrophobicContact CD1-CE3 4.26Å; L480-W754 HydrophobicContact CD1-CH2 3.78Å; L480-W754 HydrophobicContact CD1-CZ3 3.29Å
481	S	93.1	Very high	89.8	Confident	11 Å²	11	48.1 Å²	48.1	8%	0.077	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-42.7	177.6	-65	0	0	0	0	112.4	K477 T478 L484 S485 N503	K477-S481 WeakPolarHBondContact O-CB 3.47Å; K477-S481 PolarHBondContact O-N 2.83Å; K477-S481 PolarHBondContact O-OG 2.94Å; T478-S481 WeakPolarHBondContact O-CB 3.38Å; T478-S481 PolarHBondContact O-N 3.08Å; T478-S481 VanDerWaalsContact O-N 3.1Å; S481-L484 PolarHBondContact O-N 3.13Å; S481-S485 VanDerWaalsContact O-CB 3.32Å; S481-S485 WeakPolarHBondContact O-CB 3.4Å; S481-S485 PolarHBondContact O-N 3.14Å; S481-S485 PolarHBondContact O-OG 3.22Å; S481-N503 PolarHBondContact OG-ND2 3.23Å; S481-N503 VanDerWaalsContact OG-ND2 3.1Å; S481-N503 PolarHBondContact OG-OD1 2.65Å
482	D	91.6	Very high	89.3	Confident	101 Å²	101	47.8 Å²	47.8	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-41.9	177.7	-70.6	-17.6	0	0	0	111.2	T478 L480 S485 S486	T478-D482 PolarHBondContact O-N 3.32Å; L480-D482 VanDerWaalsContact C-N 3.35Å; L480-D482 PolarHBondContact O-N 2.59Å; D482-S485 PolarHBondContact O-N 3.06Å; D482-S486 PolarHBondContact O-N 2.91Å; D482-S486 PolarHBondContact O-OG 3.45Å
483	S	89.2	Confident	88.7	Confident	14 Å²	14	53.2 Å²	53.2	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-52.7	175	-58.2	0	0	0	0	110.2	T479 L480 S485 S486 M487 K677	T479-S483 WeakPolarHBondContact O-CB 3.37Å; T479-S483 PolarHBondContact O-N 3.07Å; T479-S483 PolarHBondContact O-OG 3.22Å; L480-S483 PolarHBondContact O-N 3.33Å; S483-S485 PolarHBondContact O-N 2.94Å; S483-S486 PolarHBondContact O-N 3.46Å; S483-S486 VanDerWaalsContact O-N 3.14Å; S483-S486 PolarHBondContact O-OG 3.42Å; S483-M487 WeakPolarHBondContact O-CE 3.43Å; S483-M487 WeakPolarHBondContact O-CG 3.4Å; S483-M487 PolarHBondContact O-N 3.06Å; S483-K677 PolarHBondContact OG-NZ 3.25Å
484	L	88.4	Confident	88.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-38.9	178	-71.2	167.2	0	0	0	111.7	L480 S481 S486 M487 L490 K495 I499 W754	L480-L484 HydrophobicContact CD1-CD1 3.94Å; L480-L484 HydrophobicContact CD1-CG 4.07Å; L480-L484 HydrophobicContact CG-CD1 3.97Å; L480-L484 WeakPolarHBondContact O-CB 3.5Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.08Å; L480-L484 PolarHBondContact O-N 2.71Å; S481-L484 PolarHBondContact O-N 3.13Å; L484-S486 VanDerWaalsContact C-N 3.35Å; L484-S486 PolarHBondContact O-N 3.12Å; L484-M487 HydrophobicContact CD2-CE 3.96Å; L484-M487 HydrophobicContact CD2-SD 3.92Å; L484-M487 HydrophobicContact CG-CE 4.35Å; L484-M487 PolarHBondContact O-N 2.82Å; L484-L490 HydrophobicContact CD2-CD1 4.18Å; L484-K495 VanDerWaalsContact O-CE 3.25Å; L484-K495 WeakPolarHBondContact O-CE 3.5Å; L484-I499 HydrophobicContact CB-CD1 4.27Å; L484-I499 HydrophobicContact CB-CG1 3.79Å; L484-I499 HydrophobicContact CD1-CG1 4.04Å; L484-W754 HydrophobicContact CD2-CD2 4.21Å; L484-W754 HydrophobicContact CD2-CE3 4.35Å; L484-W754 HydrophobicContact CD2-CH2 4.25Å; L484-W754 HydrophobicContact CD2-CZ2 4.12Å; L484-W754 HydrophobicContact CD2-CZ3 4.36Å
485	S	88.7	Confident	87.5	Confident	58 Å²	58	53 Å²	53	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-37.5	179.1	-62.5	0	0	0	0	112.9	S481 D482 S483 M487 K495 I499	S481-S485 VanDerWaalsContact O-CB 3.32Å; S481-S485 WeakPolarHBondContact O-CB 3.4Å; S481-S485 PolarHBondContact O-N 3.14Å; S481-S485 PolarHBondContact O-OG 3.22Å; D482-S485 PolarHBondContact O-N 3.06Å; S483-S485 PolarHBondContact O-N 2.94Å; S485-M487 VanDerWaalsContact C-N 3.31Å; S485-M487 PolarHBondContact O-N 2.88Å; S485-K495 WeakPolarHBondContact O-CE 3.29Å; S485-K495 PolarHBondContact O-NZ 3.39Å; S485-I499 VanDerWaalsContact OG-CD1 3.24Å; S485-I499 WeakPolarHBondContact OG-CD1 3.41Å
486	S	85.3	Confident	87.2	Confident	77 Å²	77	55.2 Å²	55.2	54%	0.538	29%	0.291	S	S	.	.	H	α-helix	trans	-74.8	-15.5	-179.3	68.5	0	0	0	0	114.5	D482 S483 L484 S488	D482-S486 PolarHBondContact O-N 2.91Å; D482-S486 PolarHBondContact O-OG 3.45Å; S483-S486 PolarHBondContact O-N 3.46Å; S483-S486 VanDerWaalsContact O-N 3.14Å; S483-S486 PolarHBondContact O-OG 3.42Å; L484-S486 VanDerWaalsContact C-N 3.35Å; L484-S486 PolarHBondContact O-N 3.12Å; S486-S488 PolarHBondContact O-N 3.23Å
487	M	81.3	Confident	86.9	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.049	32%	0.319	C	S	.	.			trans	-68	121	-177.7	-67.4	163.6	-161.8	0	0	111.2	S483 L484 S485 W489 L490 K495 W754	S483-M487 WeakPolarHBondContact O-CE 3.43Å; S483-M487 WeakPolarHBondContact O-CG 3.4Å; S483-M487 PolarHBondContact O-N 3.06Å; L484-M487 HydrophobicContact CD2-CE 3.96Å; L484-M487 HydrophobicContact CD2-SD 3.92Å; L484-M487 HydrophobicContact CG-CE 4.35Å; L484-M487 PolarHBondContact O-N 2.82Å; S485-M487 VanDerWaalsContact C-N 3.31Å; S485-M487 PolarHBondContact O-N 2.88Å; M487-W489 HydrophobicContact SD-CZ2 4.27Å; M487-L490 HydrophobicContact CB-CB 4.46Å; M487-L490 HydrophobicContact CB-CD1 4.15Å; M487-L490 HydrophobicContact CB-CG 4.36Å; M487-L490 HydrophobicContact SD-CD1 3.53Å; M487-L490 VanDerWaalsContact SD-CD1 3.53Å; M487-L490 HydrophobicContact SD-CG 4.39Å; M487-K495 WeakPolarHBondContact O-CE 3.47Å; M487-K495 PolarHBondContact O-NZ 3.4Å; M487-W754 HydrophobicContact CE-CB 3.03Å; M487-W754 HydrophobicContact CE-CD2 3.85Å; M487-W754 HydrophobicContact CE-CE3 3.94Å; M487-W754 HydrophobicContact CE-CG 3.55Å; M487-W754 HydrophobicContact CG-CB 4.5Å; M487-W754 HydrophobicContact SD-CB 3.51Å; M487-W754 VanDerWaalsContact SD-CB 3.51Å; M487-W754 HydrophobicContact SD-CD2 4.46Å; M487-W754 HydrophobicContact SD-CG 3.83Å
488	S	76.9	Confident	86.4	Confident	96 Å²	96	60.8 Å²	60.8	67%	0.671	32%	0.32	S	S	*	.	S	Bend	trans	-80.7	-20.1	-177	53.8	0	0	0	0	113.9	S486	S486-S488 PolarHBondContact O-N 3.23Å
489	W	74.6	Confident	86.3	Confident	104 Å²	104	58.7 Å²	58.7	39%	0.394	31%	0.306	S	S	.	.	S	Bend	trans	-98.4	-19.2	-174.2	59.9	-93.7	0	0	0	114.1	M487 D640 W754	M487-W489 HydrophobicContact SD-CZ2 4.27Å; W489-D640 HydrophobicContact CH2-CB 4.09Å; W489-D640 WeakPolarHBondContact CH2-OD1 3.49Å; W489-D640 VanDerWaalsContact CH2-OD2 3.22Å; W489-D640 WeakPolarHBondContact CH2-OD2 3.45Å; W489-D640 VanDerWaalsContact CZ3-CG 3.43Å; W489-D640 WeakPolarHBondContact CZ3-OD1 3.49Å; W489-D640 WeakPolarHBondContact CZ3-OD2 3.32Å; W489-W754 AromaticContact CH2-CD1 3.87Å; W489-W754 HydrophobicContact CZ2-CB 4.21Å; W489-W754 AromaticContact CZ2-CD1 3.8Å; W489-W754 HydrophobicContact CZ2-CG 4.41Å
490	L	75	Confident	86.2	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.042	33%	0.326	C	S	.	.	S	Bend	trans	-72.7	133.8	171.5	-77.6	175.6	0	0	0	110.5	L484 M487 E494 K495 Y498	L484-L490 HydrophobicContact CD2-CD1 4.18Å; M487-L490 HydrophobicContact CB-CB 4.46Å; M487-L490 HydrophobicContact CB-CD1 4.15Å; M487-L490 HydrophobicContact CB-CG 4.36Å; M487-L490 HydrophobicContact SD-CD1 3.53Å; M487-L490 VanDerWaalsContact SD-CD1 3.53Å; M487-L490 HydrophobicContact SD-CG 4.39Å; L490-E494 HydrophobicContact CD2-CB 4.43Å; L490-K495 HydrophobicContact CB-CB 4.43Å; L490-Y498 HydrophobicContact CD1-CD2 4.48Å; L490-Y498 HydrophobicContact CD2-CE2 4.3Å
491	K	83	Confident	86	Confident	146 Å²	146	64 Å²	64	64%	0.635	33%	0.333	S	S	*	.			trans	-63.9	146.5	171.8	-65.7	172.3	-174.5	160.2	0	109.5	D493 E494 K495	K491-D493 PolarHBondContact O-N 2.81Å; K491-D493 VanDerWaalsContact O-N 3.11Å; K491-E494 HydrophobicContact CB-CG 4.33Å; K491-E494 PolarHBondContact N-OE2 2.93Å; K491-E494 PolarHBondContact O-N 2.99Å; K491-K495 WeakPolarHBondContact O-CB 3.07Å; K491-K495 PolarHBondContact O-N 2.87Å
492	E	86.1	Confident	86	Confident	109 Å²	109	63.5 Å²	63.5	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-56.6	-32.5	-177	-74.8	-61.2	132.9	0	0	113.7	K495 K496	E492-K495 IonicContact OE1-NZ 2.65Å; E492-K495 PolarHBondContact OE1-NZ 2.91Å; E492-K496 VanDerWaalsContact O-CG 3.3Å; E492-K496 WeakPolarHBondContact O-CG 3.34Å; E492-K496 PolarHBondContact O-N 2.97Å; E492-K496 VanDerWaalsContact O-N 3.11Å
493	D	85.5	Confident	86.1	Confident	116 Å²	116	62.2 Å²	62.2	62%	0.62	32%	0.323	S	S	*	.	H	α-helix	trans	-72.7	-38.5	176	-66.9	-28.4	0	0	0	112.4	K491 K496 N497	K491-D493 PolarHBondContact O-N 2.81Å; K491-D493 VanDerWaalsContact O-N 3.11Å; D493-K496 PolarHBondContact O-N 3.07Å; D493-N497 VanDerWaalsContact O-CG 3.22Å; D493-N497 PolarHBondContact O-N 3.12Å; D493-N497 PolarHBondContact O-ND2 2.91Å
494	E	83.2	Confident	86.3	Confident	71 Å²	71	63.1 Å²	63.1	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-43.8	176.2	-68.2	169.9	159.4	0	0	110.9	L490 K491 K496 N497 Y498	L490-E494 HydrophobicContact CD2-CB 4.43Å; K491-E494 HydrophobicContact CB-CG 4.33Å; K491-E494 PolarHBondContact N-OE2 2.93Å; K491-E494 PolarHBondContact O-N 2.99Å; E494-K496 PolarHBondContact O-N 3.19Å; E494-N497 WeakPolarHBondContact O-CB 3.46Å; E494-N497 PolarHBondContact O-N 3.29Å; E494-N497 VanDerWaalsContact O-N 3.12Å; E494-Y498 VanDerWaalsContact O-CD2 3.25Å; E494-Y498 WeakPolarHBondContact O-CD2 3.28Å; E494-Y498 PolarHBondContact O-N 3Å
495	K	86.2	Confident	86.6	Confident	21 Å²	21	63.1 Å²	63.1	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-53.6	-50.7	173.3	176.9	-178.9	-70.6	-179.7	0	111.2	L484 S485 M487 L490 K491 E492 N497 Y498 I499	L484-K495 VanDerWaalsContact O-CE 3.25Å; L484-K495 WeakPolarHBondContact O-CE 3.5Å; S485-K495 WeakPolarHBondContact O-CE 3.29Å; S485-K495 PolarHBondContact O-NZ 3.39Å; M487-K495 WeakPolarHBondContact O-CE 3.47Å; M487-K495 PolarHBondContact O-NZ 3.4Å; L490-K495 HydrophobicContact CB-CB 4.43Å; K491-K495 WeakPolarHBondContact O-CB 3.07Å; K491-K495 PolarHBondContact O-N 2.87Å; E492-K495 IonicContact OE1-NZ 2.65Å; E492-K495 PolarHBondContact OE1-NZ 2.91Å; K495-N497 VanDerWaalsContact C-N 3.32Å; K495-N497 PolarHBondContact O-N 2.83Å; K495-Y498 PolarHBondContact O-N 2.97Å; K495-I499 HydrophobicContact CG-CD1 3.72Å; K495-I499 WeakPolarHBondContact O-CB 3.12Å; K495-I499 WeakPolarHBondContact O-CD1 3.47Å; K495-I499 WeakPolarHBondContact O-CG1 3.46Å; K495-I499 PolarHBondContact O-N 2.69Å
496	K	89.5	Confident	86.8	Confident	112 Å²	112	66.8 Å²	66.8	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-40.5	176.2	-75.2	171.7	-172.5	167.8	0	112.6	E492 D493 E494 N500	E492-K496 VanDerWaalsContact O-CG 3.3Å; E492-K496 WeakPolarHBondContact O-CG 3.34Å; E492-K496 PolarHBondContact O-N 2.97Å; E492-K496 VanDerWaalsContact O-N 3.11Å; D493-K496 PolarHBondContact O-N 3.07Å; E494-K496 PolarHBondContact O-N 3.19Å; K496-N500 VanDerWaalsContact O-CB 3.26Å; K496-N500 WeakPolarHBondContact O-CB 3.38Å; K496-N500 PolarHBondContact O-N 3.18Å; K496-N500 PolarHBondContact O-ND2 2.63Å
497	N	88.4	Confident	87.2	Confident	108 Å²	108	64 Å²	64	58%	0.578	32%	0.319	S	S	*	.	H	α-helix	trans	-64.8	-46.9	179.8	-71.9	-20.5	0	0	0	112	D493 E494 K495 N500 L501	D493-N497 VanDerWaalsContact O-CG 3.22Å; D493-N497 PolarHBondContact O-N 3.12Å; D493-N497 PolarHBondContact O-ND2 2.91Å; E494-N497 WeakPolarHBondContact O-CB 3.46Å; E494-N497 PolarHBondContact O-N 3.29Å; E494-N497 VanDerWaalsContact O-N 3.12Å; K495-N497 VanDerWaalsContact C-N 3.32Å; K495-N497 PolarHBondContact O-N 2.83Å; N497-N500 PolarHBondContact O-N 3.13Å; N497-L501 WeakPolarHBondContact O-CB 2.89Å; N497-L501 PolarHBondContact O-N 3.43Å
498	Y	86.9	Confident	87.6	Confident	20 Å²	20	65.6 Å²	65.6	8%	0.078	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-42.3	177	-73.9	-63.3	0	0	0	112.2	L490 E494 K495 L501 A502 V617 K621	L490-Y498 HydrophobicContact CD1-CD2 4.48Å; L490-Y498 HydrophobicContact CD2-CE2 4.3Å; E494-Y498 VanDerWaalsContact O-CD2 3.25Å; E494-Y498 WeakPolarHBondContact O-CD2 3.28Å; E494-Y498 PolarHBondContact O-N 3Å; K495-Y498 PolarHBondContact O-N 2.97Å; Y498-L501 PolarHBondContact O-N 3.12Å; Y498-A502 VanDerWaalsContact O-CB 3.31Å; Y498-A502 WeakPolarHBondContact O-CB 3.19Å; Y498-A502 PolarHBondContact O-N 2.87Å; Y498-V617 HydrophobicContact CD1-CG1 3.93Å; Y498-K621 PolarHBondContact OH-NZ 2.65Å
499	I	91.6	Very high	88.2	Confident	28 Å²	28	61.4 Å²	61.4	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-46.1	176.6	-68.9	167.2	0	0	0	110.8	L484 S485 K495 L501 A502 N503	L484-I499 HydrophobicContact CB-CD1 4.27Å; L484-I499 HydrophobicContact CB-CG1 3.79Å; L484-I499 HydrophobicContact CD1-CG1 4.04Å; S485-I499 VanDerWaalsContact OG-CD1 3.24Å; S485-I499 WeakPolarHBondContact OG-CD1 3.41Å; K495-I499 HydrophobicContact CG-CD1 3.72Å; K495-I499 WeakPolarHBondContact O-CB 3.12Å; K495-I499 WeakPolarHBondContact O-CD1 3.47Å; K495-I499 WeakPolarHBondContact O-CG1 3.46Å; K495-I499 PolarHBondContact O-N 2.69Å; I499-L501 VanDerWaalsContact C-N 3.33Å; I499-L501 PolarHBondContact O-N 3.11Å; I499-A502 PolarHBondContact O-N 3.41Å; I499-N503 WeakPolarHBondContact CG2-ND2 3.05Å; I499-N503 WeakPolarHBondContact O-CB 3.47Å; I499-N503 PolarHBondContact O-N 2.65Å; I499-N503 PolarHBondContact O-ND2 3.41Å; I499-N503 VanDerWaalsContact O-ND2 3.12Å
500	N	92	Very high	88.6	Confident	104 Å²	104	56.5 Å²	56.5	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-63.6	-40.5	178.2	-74.5	-23.9	0	0	0	111.8	K496 N497 S504	K496-N500 VanDerWaalsContact O-CB 3.26Å; K496-N500 WeakPolarHBondContact O-CB 3.38Å; K496-N500 PolarHBondContact O-N 3.18Å; K496-N500 PolarHBondContact O-ND2 2.63Å; N497-N500 PolarHBondContact O-N 3.13Å; N500-S504 VanDerWaalsContact O-CB 3.27Å; N500-S504 WeakPolarHBondContact O-CB 3.18Å; N500-S504 PolarHBondContact O-N 3.35Å
501	L	90.2	Very high	89	Confident	30 Å²	30	56.7 Å²	56.7	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-52.5	176.5	175.6	60.3	0	0	0	111	N497 Y498 I499 N503 S504 F505 V617 N620	N497-L501 WeakPolarHBondContact O-CB 2.89Å; N497-L501 PolarHBondContact O-N 3.43Å; Y498-L501 PolarHBondContact O-N 3.12Å; I499-L501 VanDerWaalsContact C-N 3.33Å; I499-L501 PolarHBondContact O-N 3.11Å; L501-N503 VanDerWaalsContact C-N 3.33Å; L501-N503 PolarHBondContact O-N 2.64Å; L501-S504 WeakPolarHBondContact O-CB 3.04Å; L501-S504 PolarHBondContact O-N 2.98Å; L501-S504 PolarHBondContact O-OG 3.07Å; L501-F505 HydrophobicContact CD1-CE2 3.79Å; L501-F505 HydrophobicContact CD1-CZ 4.29Å; L501-F505 HydrophobicContact CG-CE2 3.98Å; L501-F505 VanDerWaalsContact O-CD2 3.26Å; L501-F505 WeakPolarHBondContact O-CD2 3.36Å; L501-V617 HydrophobicContact CD2-CG1 4.4Å; L501-N620 WeakPolarHBondContact CD1-ND2 3.45Å; L501-N620 HydrophobicContact CD2-CB 4.28Å; L501-N620 WeakPolarHBondContact CD2-ND2 3Å
502	A	91.7	Very high	88.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-54.9	-47.3	178.1	0	0	0	0	0	111.9	K477 L480 Y498 I499 S504 F505 V617	K477-A502 WeakPolarHBondContact CD-O 3.4Å; L480-A502 HydrophobicContact CD2-CB 3.69Å; L480-A502 HydrophobicContact CG-CB 4.2Å; Y498-A502 VanDerWaalsContact O-CB 3.31Å; Y498-A502 WeakPolarHBondContact O-CB 3.19Å; Y498-A502 PolarHBondContact O-N 2.87Å; I499-A502 PolarHBondContact O-N 3.41Å; A502-S504 PolarHBondContact O-N 3.11Å; A502-F505 PolarHBondContact O-N 3.18Å; A502-V617 HydrophobicContact CB-CG2 4.21Å
503	N	94.4	Very high	88.2	Confident	74 Å²	74	53.3 Å²	53.3	40%	0.396	27%	0.27	S	S	.	.	H	α-helix	trans	-71	-17.9	179.4	-72.7	-35.5	0	0	0	114	S481 I499 L501 F505	S481-N503 PolarHBondContact OG-ND2 3.23Å; S481-N503 VanDerWaalsContact OG-ND2 3.1Å; S481-N503 PolarHBondContact OG-OD1 2.65Å; I499-N503 WeakPolarHBondContact CG2-ND2 3.05Å; I499-N503 WeakPolarHBondContact O-CB 3.47Å; I499-N503 PolarHBondContact O-N 2.65Å; I499-N503 PolarHBondContact O-ND2 3.41Å; I499-N503 VanDerWaalsContact O-ND2 3.12Å; L501-N503 VanDerWaalsContact C-N 3.33Å; L501-N503 PolarHBondContact O-N 2.64Å; N503-F505 VanDerWaalsContact C-N 3.33Å
504	S	94	Very high	87.1	Confident	33 Å²	33	51.1 Å²	51.1	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-80.1	-15.3	178.3	77.1	0	0	0	0	113.7	N500 L501 A502 K578	N500-S504 VanDerWaalsContact O-CB 3.27Å; N500-S504 WeakPolarHBondContact O-CB 3.18Å; N500-S504 PolarHBondContact O-N 3.35Å; L501-S504 WeakPolarHBondContact O-CB 3.04Å; L501-S504 PolarHBondContact O-N 2.98Å; L501-S504 PolarHBondContact O-OG 3.07Å; A502-S504 PolarHBondContact O-N 3.11Å; S504-K578 WeakPolarHBondContact O-CB 3.28Å; S504-K578 VanDerWaalsContact OG-CD 3.29Å; S504-K578 WeakPolarHBondContact OG-CD 3.36Å; S504-K578 WeakPolarHBondContact OG-CE 3.38Å
505	F	93.8	Very high	85.9	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.251	C	S	.	.			trans	-71.1	138.3	176.9	-78	-81.8	0	0	0	112.4	F473 K477 L501 A502 N503 A575 K578 I580 L613 E616 V617	F473-F505 WeakPolarHBondContact CE1-O 3.46Å; F473-F505 HydrophobicContact CZ-CB 3.99Å; K477-F505 PolarHBondContact NZ-O 3.19Å; K477-F505 VanDerWaalsContact NZ-O 3.1Å; L501-F505 HydrophobicContact CD1-CE2 3.79Å; L501-F505 HydrophobicContact CD1-CZ 4.29Å; L501-F505 HydrophobicContact CG-CE2 3.98Å; L501-F505 VanDerWaalsContact O-CD2 3.26Å; L501-F505 WeakPolarHBondContact O-CD2 3.36Å; A502-F505 PolarHBondContact O-N 3.18Å; N503-F505 VanDerWaalsContact C-N 3.33Å; F505-A575 HydrophobicContact CZ-CB 4.31Å; F505-K578 VanDerWaalsContact CA-O 3.3Å; F505-K578 WeakPolarHBondContact CA-O 3.18Å; F505-K578 VanDerWaalsContact CD1-C 3.41Å; F505-K578 HydrophobicContact CD1-CB 4.42Å; F505-I580 HydrophobicContact CD1-CD1 4.38Å; F505-I580 HydrophobicContact CD1-CG1 4.07Å; F505-L613 HydrophobicContact CB-CD1 4.17Å; F505-L613 HydrophobicContact CD2-CD1 3.98Å; F505-L613 HydrophobicContact CG-CD1 4.18Å; F505-E616 HydrophobicContact CE1-CB 3.74Å; F505-E616 HydrophobicContact CE1-CG 4.06Å; F505-E616 HydrophobicContact CE2-CB 4.12Å; F505-E616 HydrophobicContact CZ-CB 3.41Å; F505-E616 VanDerWaalsContact CZ-CB 3.41Å; F505-E616 HydrophobicContact CZ-CG 4.24Å; F505-V617 HydrophobicContact CD2-CG2 4.31Å; F505-V617 HydrophobicContact CE2-CG2 3.95Å
506	Q	93.9	Very high	84.5	Confident	134 Å²	134	48.9 Å²	48.9	63%	0.626	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.3	170.2	-62.8	-177.2	2.8	0	0	110.4	K578 L579 I580	Q506-K578 PolarHBondContact N-O 2.76Å; Q506-L579 HydrophobicContact CB-CD1 4.11Å; Q506-I580 PolarHBondContact O-N 2.94Å
507	L	93.3	Very high	82.9	Confident	18 Å²	18	43.7 Å²	43.7	9%	0.094	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	171.6	-177	65.3	0	0	0	109.5	V469 L470 F473 I580 I582 I609	V469-L507 HydrophobicContact CG1-CD2 3.83Å; L470-L507 HydrophobicContact CD2-CB 4.19Å; L470-L507 HydrophobicContact CD2-CD2 4.34Å; L470-L507 HydrophobicContact CD2-CG 4.4Å; F473-L507 HydrophobicContact CB-CB 4.25Å; F473-L507 HydrophobicContact CB-CD2 3.75Å; F473-L507 HydrophobicContact CD1-CB 3.46Å; F473-L507 VanDerWaalsContact CD1-CB 3.46Å; F473-L507 HydrophobicContact CD2-CB 4.23Å; F473-L507 HydrophobicContact CE1-CB 3.74Å; F473-L507 HydrophobicContact CE2-CB 4.46Å; F473-L507 HydrophobicContact CG-CB 3.71Å; F473-L507 HydrophobicContact CG-CD2 4.04Å; F473-L507 HydrophobicContact CG-CG 4.44Å; F473-L507 HydrophobicContact CZ-CB 4.22Å; L507-I580 CarbonylContact C-O 3.59Å; L507-I580 WeakPolarHBondContact CA-O 2.96Å; L507-I580 HydrophobicContact CD1-CB 4.1Å; L507-I580 HydrophobicContact CD1-CG2 3.7Å; L507-I582 HydrophobicContact CD1-CB 4.27Å; L507-I582 HydrophobicContact CD1-CG2 3.78Å; L507-I582 HydrophobicContact CD2-CG2 4.37Å; L507-I582 HydrophobicContact CG-CG2 4.23Å; L507-I609 HydrophobicContact CD2-CD1 4Å
508	S	89.8	Confident	81.5	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.5	171.5	176.4	0	0	0	0	109.3	I580 K581 I582	S508-I580 PolarHBondContact N-O 3.48Å; S508-K581 WeakPolarHBondContact O-CA 3.47Å; S508-I582 PolarHBondContact O-N 3.35Å
509	I	89.8	Confident	80.5	Confident	9 Å²	9	47 Å²	47	5%	0.046	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.7	174.1	-54.3	-175.8	0	0	0	109.2	I461 E466 V469 L470 T511 S514 I582 L587	I461-I509 HydrophobicContact CD1-CD1 4.02Å; I461-I509 HydrophobicContact CD1-CG2 3.72Å; E466-I509 HydrophobicContact CB-CD1 4.4Å; E466-I509 HydrophobicContact CG-CD1 4.09Å; V469-I509 HydrophobicContact CB-CD1 4.01Å; V469-I509 HydrophobicContact CG1-CD1 3.84Å; L470-I509 HydrophobicContact CG-CD1 4.37Å; I509-T511 HydrophobicContact CG2-CG2 4.06Å; I509-S514 WeakPolarHBondContact O-CB 3.37Å; I509-S514 PolarHBondContact O-OG 2.99Å; I509-I582 WeakPolarHBondContact CA-O 3.44Å; I509-I582 HydrophobicContact CB-CG2 4.35Å; I509-I582 HydrophobicContact CG1-CG2 3.84Å; I509-I582 HydrophobicContact CG2-CG2 4.43Å; I509-L587 HydrophobicContact CD1-CD1 3.85Å; I509-L587 HydrophobicContact CG1-CD1 4.27Å; I509-L587 HydrophobicContact CG2-CD1 3.56Å
510	I	82.6	Confident	79.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.2	-173	-63.5	-176.2	0	0	0	108.8	L515 T566 Y570 K581 I582 S583 A584	I510-L515 HydrophobicContact CB-CD1 4.43Å; I510-L515 HydrophobicContact CB-CG 4.39Å; I510-L515 HydrophobicContact CG2-CD1 3.02Å; I510-L515 HydrophobicContact CG2-CD2 4Å; I510-L515 HydrophobicContact CG2-CG 3.31Å; I510-T566 HydrophobicContact CG2-CG2 3.61Å; I510-Y570 HydrophobicContact CD1-CE2 4.08Å; I510-Y570 WeakPolarHBondContact CD1-OH 3.49Å; I510-Y570 VanDerWaalsContact CG2-OH 3.23Å; I510-Y570 WeakPolarHBondContact CG2-OH 3.17Å; I510-K581 HydrophobicContact CD1-CB 3.55Å; I510-K581 HydrophobicContact CD1-CD 3.8Å; I510-K581 HydrophobicContact CD1-CG 3.77Å; I510-K581 HydrophobicContact CG1-CB 4.41Å; I510-I582 WeakPolarHBondContact CB-O 3.19Å; I510-I582 PolarHBondContact N-O 3.48Å; I510-S583 CarbonylContact O-C 3.56Å; I510-A584 PolarHBondContact O-N 3.25Å
511	T	83.9	Confident	78.3	Confident	12 Å²	12	41.9 Å²	41.9	7%	0.074	22%	0.222	C	C	.	.			trans	-124.7	168.3	179	68.9	0	0	0	0	108.9	S459 I461 I509 K513 S514 L515 A584	S459-T511 CarbonylContact O-C 3.07Å; S459-T511 WeakPolarHBondContact O-CA 3.37Å; S459-T511 VanDerWaalsContact O-CB 3.27Å; S459-T511 WeakPolarHBondContact O-CB 3.44Å; I461-T511 HydrophobicContact CG1-CG2 4.07Å; I509-T511 HydrophobicContact CG2-CG2 4.06Å; T511-K513 PolarHBondContact O-N 3.49Å; T511-K513 VanDerWaalsContact O-N 3.14Å; T511-K513 PolarHBondContact OG1-N 3.1Å; T511-S514 PolarHBondContact N-OG 3.22Å; T511-S514 PolarHBondContact O-N 2.88Å; T511-S514 WeakPolarHBondContact OG1-CB 3.42Å; T511-S514 PolarHBondContact OG1-N 3.23Å; T511-S514 PolarHBondContact OG1-OG 3.49Å; T511-L515 WeakPolarHBondContact O-CB 3.39Å; T511-L515 PolarHBondContact O-N 3.05Å; T511-A584 HydrophobicContact CG2-CB 4.22Å
512	S	77.2	Confident	77.3	Confident	15 Å²	15	43.5 Å²	43.5	11%	0.105	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.9	171.2	53.2	0	0	0	0	114.1	S459 S460 L515 A517	S459-S512 PolarHBondContact O-N 2.78Å; S459-S512 PolarHBondContact O-OG 2.93Å; S460-S512 PolarHBondContact OG-OG 3.49Å; S512-L515 CarbonylContact C-O 3.45Å; S512-A517 VanDerWaalsContact O-CB 3.28Å; S512-A517 WeakPolarHBondContact O-CB 2.94Å; S512-A517 PolarHBondContact O-N 3.47Å
513	K	73.6	Confident	76.3	Confident	168 Å²	168	49.4 Å²	49.4	73%	0.73	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-44.3	174.1	-67.4	-177.6	179.6	177.4	0	112.7	T511 L515	T511-K513 PolarHBondContact O-N 3.49Å; T511-K513 VanDerWaalsContact O-N 3.14Å; T511-K513 PolarHBondContact OG1-N 3.1Å; K513-L515 CarbonylContact C-O 3.58Å; K513-L515 VanDerWaalsContact C-O 3.24Å; K513-L515 CarbonylContact O-C 3.37Å
514	S	63.9	Low	75.6	Confident	70 Å²	70	46.1 Å²	46.1	49%	0.49	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-39.5	-171.6	58	0	0	0	0	112.3	I509 T511 S516	I509-S514 WeakPolarHBondContact O-CB 3.37Å; I509-S514 PolarHBondContact O-OG 2.99Å; T511-S514 PolarHBondContact N-OG 3.22Å; T511-S514 PolarHBondContact O-N 2.88Å; T511-S514 WeakPolarHBondContact OG1-CB 3.42Å; T511-S514 PolarHBondContact OG1-N 3.23Å; T511-S514 PolarHBondContact OG1-OG 3.49Å; S514-S516 PolarHBondContact O-N 3.45Å
515	L	57.5	Low	75.3	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.068	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	117.4	146.8	-59.5	177.7	0	0	0	104.3	I510 T511 S512 K513 A517 R520 E561 T566	I510-L515 HydrophobicContact CB-CD1 4.43Å; I510-L515 HydrophobicContact CB-CG 4.39Å; I510-L515 HydrophobicContact CG2-CD1 3.02Å; I510-L515 HydrophobicContact CG2-CD2 4Å; I510-L515 HydrophobicContact CG2-CG 3.31Å; T511-L515 WeakPolarHBondContact O-CB 3.39Å; T511-L515 PolarHBondContact O-N 3.05Å; S512-L515 CarbonylContact C-O 3.45Å; K513-L515 CarbonylContact C-O 3.58Å; K513-L515 VanDerWaalsContact C-O 3.24Å; K513-L515 CarbonylContact O-C 3.37Å; L515-A517 PolarHBondContact O-N 2.74Å; L515-R520 VanDerWaalsContact CD1-NH1 3.34Å; L515-E561 WeakPolarHBondContact CD2-OE2 3.47Å; L515-T566 HydrophobicContact CD1-CG2 3.52Å; L515-T566 HydrophobicContact CG-CG2 4.47Å
516	S	56.1	Low	75.2	Confident	33 Å²	33	45.3 Å²	45.3	23%	0.231	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	87.9	162.9	39.6	0	0	0	0	107.1	S514 E518 D519 R520	S514-S516 PolarHBondContact O-N 3.45Å; S516-E518 CarbonylContact O-C 3.12Å; S516-E518 PolarHBondContact O-N 3.26Å; S516-D519 VanDerWaalsContact CB-OD2 3.25Å; S516-D519 WeakPolarHBondContact CB-OD2 3.19Å; S516-D519 WeakPolarHBondContact O-CA 3.23Å; S516-D519 PolarHBondContact O-N 3.24Å; S516-D519 WeakPolarHBondContact OG-CB 3.32Å; S516-D519 PolarHBondContact OG-OD2 3.13Å; S516-R520 PolarHBondContact O-N 2.87Å
517	A	56.3	Low	75.1	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-50.1	-34.2	167.8	0	0	0	0	0	107.5	S512 L515 D519 R520 E521	S512-A517 VanDerWaalsContact O-CB 3.28Å; S512-A517 WeakPolarHBondContact O-CB 2.94Å; S512-A517 PolarHBondContact O-N 3.47Å; L515-A517 PolarHBondContact O-N 2.74Å; A517-D519 PolarHBondContact O-N 2.86Å; A517-R520 PolarHBondContact O-N 3.14Å; A517-E521 WeakPolarHBondContact O-CA 3.49Å; A517-E521 WeakPolarHBondContact O-CB 3.29Å; A517-E521 PolarHBondContact O-N 3.5Å
518	E	59.5	Low	74.8	Confident	117 Å²	117	43.4 Å²	43.4	55%	0.547	23%	0.227	S	C	.	.	H	α-helix	trans	-54.4	-44.1	167.6	-69.2	160.3	-176.5	0	0	114.9	R182 S516 S522	R182-E518 PolarHBondContact NH1-O 3.41Å; S516-E518 CarbonylContact O-C 3.12Å; S516-E518 PolarHBondContact O-N 3.26Å; E518-S522 WeakPolarHBondContact O-CB 3.16Å; E518-S522 PolarHBondContact O-N 2.63Å
519	D	65.1	Low	74.9	Confident	80 Å²	80	42.5 Å²	42.5	43%	0.428	22%	0.219	S	C	.	.	H	α-helix	trans	-75.1	-39	176.1	-66.5	-20.4	0	0	0	111.6	S516 A517 S522 R523	S516-D519 VanDerWaalsContact CB-OD2 3.25Å; S516-D519 WeakPolarHBondContact CB-OD2 3.19Å; S516-D519 WeakPolarHBondContact O-CA 3.23Å; S516-D519 PolarHBondContact O-N 3.24Å; S516-D519 WeakPolarHBondContact OG-CB 3.32Å; S516-D519 PolarHBondContact OG-OD2 3.13Å; A517-D519 PolarHBondContact O-N 2.86Å; D519-S522 WeakPolarHBondContact CA-OG 3.44Å; D519-S522 WeakPolarHBondContact O-CB 3.37Å; D519-S522 PolarHBondContact O-N 3.17Å; D519-S522 PolarHBondContact O-OG 3.1Å; D519-R523 WeakPolarHBondContact O-CG 3.31Å; D519-R523 PolarHBondContact O-N 3.41Å
520	R	66.9	Low	75	Confident	21 Å²	21	50.5 Å²	50.5	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176	-72.5	-174.4	169.3	-166.8	-2.8	110.9	W450 L515 S516 A517 S522 R523 D524 E561	W450-R520 HydrophobicContact CD2-CB 3.75Å; W450-R520 HydrophobicContact CE3-CB 4.27Å; W450-R520 HydrophobicContact CG-CB 3.88Å; L515-R520 VanDerWaalsContact CD1-NH1 3.34Å; S516-R520 PolarHBondContact O-N 2.87Å; A517-R520 PolarHBondContact O-N 3.14Å; R520-S522 VanDerWaalsContact C-N 3.27Å; R520-S522 PolarHBondContact O-N 3.26Å; R520-R523 CarbonylContact O-C 3.54Å; R520-R523 WeakPolarHBondContact O-CA 3.21Å; R520-R523 WeakPolarHBondContact O-CB 3.46Å; R520-R523 PolarHBondContact O-N 3.44Å; R520-D524 PolarHBondContact O-N 3.43Å; R520-D524 VanDerWaalsContact O-N 3.12Å; R520-E561 IonicContact CZ-OE2 2.82Å; R520-E561 IonicContact NE-OE2 3.01Å; R520-E561 IonicContact NH2-OE2 2.61Å; R520-E561 PolarHBondContact NH2-OE2 2.86Å
521	E	71.6	Confident	75.6	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-33.4	173.7	-167	-169	-149.8	0	0	110.8	R182 W450 T451 A517 R523 D524 F527	R182-E521 WeakPolarHBondContact CB-OE1 3.46Å; R182-E521 WeakPolarHBondContact CD-OE1 3.49Å; R182-E521 WeakPolarHBondContact CD-OE2 3.28Å; R182-E521 IonicContact CZ-OE2 2.75Å; R182-E521 IonicContact NE-OE2 2.84Å; R182-E521 IonicContact NH1-OE2 2.88Å; R182-E521 PolarHBondContact NH1-OE2 3.27Å; W450-E521 HydrophobicContact CB-CB 3.75Å; W450-E521 HydrophobicContact CB-CG 4.22Å; W450-E521 HydrophobicContact CG-CB 4.48Å; T451-E521 WeakPolarHBondContact CB-OE1 3.48Å; T451-E521 PolarHBondContact OG1-OE1 3Å; A517-E521 WeakPolarHBondContact O-CA 3.49Å; A517-E521 WeakPolarHBondContact O-CB 3.29Å; A517-E521 PolarHBondContact O-N 3.5Å; E521-R523 VanDerWaalsContact C-N 3.25Å; E521-R523 PolarHBondContact O-N 3.28Å; E521-D524 WeakPolarHBondContact O-CB 2.94Å; E521-D524 PolarHBondContact O-N 3.32Å; E521-F527 HydrophobicContact CB-CE2 4.47Å; E521-F527 HydrophobicContact CG-CD2 4.17Å; E521-F527 HydrophobicContact CG-CE2 3.34Å; E521-F527 HydrophobicContact CG-CZ 3.79Å; E521-F527 WeakPolarHBondContact O-CD2 3.46Å
522	S	67.8	Low	76	Confident	65 Å²	65	52.2 Å²	52.2	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-68	-24.9	172.3	82.7	0	0	0	0	114.1	E518 D519 R520	E518-S522 WeakPolarHBondContact O-CB 3.16Å; E518-S522 PolarHBondContact O-N 2.63Å; D519-S522 WeakPolarHBondContact CA-OG 3.44Å; D519-S522 WeakPolarHBondContact O-CB 3.37Å; D519-S522 PolarHBondContact O-N 3.17Å; D519-S522 PolarHBondContact O-OG 3.1Å; R520-S522 VanDerWaalsContact C-N 3.27Å; R520-S522 PolarHBondContact O-N 3.26Å
523	R	70.9	Confident	76.8	Confident	124 Å²	124	54.6 Å²	54.6	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.2	175.5	-72.1	-177	-112	-162.6	-2.7	112.4	D519 R520 E521 F525	D519-R523 WeakPolarHBondContact O-CG 3.31Å; D519-R523 PolarHBondContact O-N 3.41Å; R520-R523 CarbonylContact O-C 3.54Å; R520-R523 WeakPolarHBondContact O-CA 3.21Å; R520-R523 WeakPolarHBondContact O-CB 3.46Å; R520-R523 PolarHBondContact O-N 3.44Å; E521-R523 VanDerWaalsContact C-N 3.25Å; E521-R523 PolarHBondContact O-N 3.28Å; R523-F525 PolarHBondContact O-N 3.04Å
524	D	81	Confident	77.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.279	C	S	.	.			trans	-74.8	116.1	178.9	-154.6	-34.3	0	0	0	110.6	R520 E521 I526 F527 T546 K550	R520-D524 PolarHBondContact O-N 3.43Å; R520-D524 VanDerWaalsContact O-N 3.12Å; E521-D524 WeakPolarHBondContact O-CB 2.94Å; E521-D524 PolarHBondContact O-N 3.32Å; D524-I526 HydrophobicContact CB-CG2 4.17Å; D524-I526 PolarHBondContact O-N 3.48Å; D524-I526 PolarHBondContact OD1-N 3.31Å; D524-F527 HydrophobicContact CB-CD2 3.91Å; D524-F527 HydrophobicContact CB-CE2 3.96Å; D524-F527 PolarHBondContact O-N 3.28Å; D524-T546 WeakPolarHBondContact OD1-CG2 3.19Å; D524-K550 VanDerWaalsContact CG-CE 3.44Å; D524-K550 WeakPolarHBondContact OD1-CE 3.33Å; D524-K550 IonicContact OD1-NZ 3.15Å; D524-K550 PolarHBondContact OD1-NZ 3.42Å; D524-K550 VanDerWaalsContact OD1-NZ 3.11Å; D524-K550 WeakPolarHBondContact OD2-CE 3.33Å; D524-K550 IonicContact OD2-NZ 3.69Å; D524-K550 PolarHBondContact OD2-NZ 3.45Å
525	F	87.7	Confident	78.8	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.075	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-64.4	-12.4	-177	-55.7	-70.2	0	0	0	113.2	L367 R523 F527 T528 T546 L549 K550 Y553	L367-F525 HydrophobicContact CD2-CD1 4.39Å; L367-F525 HydrophobicContact CD2-CE1 3.63Å; L367-F525 HydrophobicContact CD2-CE2 3.85Å; L367-F525 HydrophobicContact CD2-CZ 3.31Å; R523-F525 PolarHBondContact O-N 3.04Å; F525-F527 PolarHBondContact O-N 3.24Å; F525-T528 HydrophobicContact CD1-CG2 4.43Å; F525-T528 PolarHBondContact O-N 2.95Å; F525-T528 VanDerWaalsContact O-N 3.1Å; F525-T528 PolarHBondContact O-OG1 3.4Å; F525-T546 HydrophobicContact CB-CG2 4.1Å; F525-L549 HydrophobicContact CB-CB 4.16Å; F525-L549 HydrophobicContact CB-CD1 3.81Å; F525-L549 HydrophobicContact CD1-CB 4.33Å; F525-L549 HydrophobicContact CD1-CD1 4.19Å; F525-L549 HydrophobicContact CD2-CB 3.43Å; F525-L549 VanDerWaalsContact CD2-CB 3.43Å; F525-L549 HydrophobicContact CE2-CB 3.86Å; F525-L549 HydrophobicContact CG-CB 3.71Å; F525-L549 HydrophobicContact CG-CD1 3.92Å; F525-L549 HydrophobicContact CG-CG 4.48Å; F525-L549 HydrophobicContact CZ-CB 4.5Å; F525-K550 HydrophobicContact CD2-CG 3.95Å; F525-K550 HydrophobicContact CE2-CG 4.26Å; F525-Y553 HydrophobicContact CE2-CG 4.41Å; F525-Y553 HydrophobicContact CZ-CD2 4.13Å; F525-Y553 HydrophobicContact CZ-CG 4.19Å
526	I	91.6	Very high	80.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.3	-36.4	175.2	-164.2	63.6	0	0	0	111.4	F448 D524 T528 N529 I531 T546	F448-I526 HydrophobicContact CE1-CG1 4.28Å; F448-I526 HydrophobicContact CE1-CG2 4.36Å; F448-I526 HydrophobicContact CZ-CG1 4.17Å; D524-I526 HydrophobicContact CB-CG2 4.17Å; D524-I526 PolarHBondContact O-N 3.48Å; D524-I526 PolarHBondContact OD1-N 3.31Å; I526-T528 VanDerWaalsContact C-N 3.26Å; I526-T528 PolarHBondContact O-N 2.76Å; I526-N529 PolarHBondContact O-N 2.91Å; I526-I531 HydrophobicContact CD1-CD1 4.06Å; I526-I531 HydrophobicContact CG1-CD1 4.11Å; I526-T546 WeakPolarHBondContact CA-OG1 3.46Å; I526-T546 HydrophobicContact CB-CG2 4.11Å; I526-T546 PolarHBondContact N-OG1 3.44Å; I526-T546 VanDerWaalsContact N-OG1 3.08Å
527	F	90.2	Very high	82.2	Confident	47 Å²	47	48.7 Å²	48.7	21%	0.206	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-81.1	2.3	-179.7	-55.2	-69.5	0	0	0	113.9	R182 F448 T451 E521 D524 F525 N529	R182-F527 HydrophobicContact CB-CD1 4.18Å; R182-F527 HydrophobicContact CB-CE1 3.57Å; R182-F527 HydrophobicContact CB-CZ 3.86Å; R182-F527 HydrophobicContact CG-CD1 3.93Å; R182-F527 HydrophobicContact CG-CE1 3.83Å; R182-F527 HydrophobicContact CG-CG 4.38Å; R182-F527 HydrophobicContact CG-CZ 4.21Å; F448-F527 HydrophobicContact CD1-CE1 4.07Å; F448-F527 AromaticContact CD1-CZ 3.9Å; F448-F527 HydrophobicContact CD1-CZ 3.9Å; F448-F527 AromaticContact CE1-CE1 3.96Å; F448-F527 HydrophobicContact CE1-CE1 3.96Å; F448-F527 HydrophobicContact CE1-CZ 4.22Å; T451-F527 WeakPolarHBondContact OG1-CZ 3.39Å; E521-F527 HydrophobicContact CB-CE2 4.47Å; E521-F527 HydrophobicContact CG-CD2 4.17Å; E521-F527 HydrophobicContact CG-CE2 3.34Å; E521-F527 HydrophobicContact CG-CZ 3.79Å; E521-F527 WeakPolarHBondContact O-CD2 3.46Å; D524-F527 HydrophobicContact CB-CD2 3.91Å; D524-F527 HydrophobicContact CB-CE2 3.96Å; D524-F527 PolarHBondContact O-N 3.28Å; F525-F527 PolarHBondContact O-N 3.24Å; F527-N529 PolarHBondContact O-N 2.98Å
528	T	88.3	Confident	84.1	Confident	65 Å²	65	49.2 Å²	49.2	40%	0.399	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-76	-9.6	167.8	70.5	0	0	0	0	112.3	F525 I526	F525-T528 HydrophobicContact CD1-CG2 4.43Å; F525-T528 PolarHBondContact O-N 2.95Å; F525-T528 VanDerWaalsContact O-N 3.1Å; F525-T528 PolarHBondContact O-OG1 3.4Å; I526-T528 VanDerWaalsContact C-N 3.26Å; I526-T528 PolarHBondContact O-N 2.76Å
529	N	90.6	Very high	85.8	Confident	26 Å²	26	43.7 Å²	43.7	14%	0.139	22%	0.223	C	C	.	.	S	Bend	trans	-124.6	149	178.9	-45.6	-89.4	0	0	0	109.3	I526 F527 Y542 K545	I526-N529 PolarHBondContact O-N 2.91Å; F527-N529 PolarHBondContact O-N 2.98Å; N529-Y542 HydrophobicContact CB-CD1 3.66Å; N529-Y542 HydrophobicContact CB-CD2 3.52Å; N529-Y542 HydrophobicContact CB-CE1 3.74Å; N529-Y542 HydrophobicContact CB-CE2 3.58Å; N529-Y542 HydrophobicContact CB-CG 3.56Å; N529-Y542 VanDerWaalsContact CG-CD1 3.46Å; N529-Y542 WeakPolarHBondContact OD1-CE1 3.43Å; N529-K545 PolarHBondContact OD1-NZ 3.17Å
530	E	92.7	Very high	87.2	Confident	176 Å²	176	39.9 Å²	39.9	82%	0.822	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-79	123.7	176.9	-173.5	176.7	-178.1	0	0	109.9
531	I	94.9	Very high	88.6	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-91.7	117.7	-179.9	-55.3	-56.6	0	0	0	109.3	S185 N188 Y189 F448 I526 Y542	S185-I531 WeakPolarHBondContact O-CG2 3.25Å; N188-I531 HydrophobicContact CB-CG2 4.18Å; N188-I531 PolarHBondContact ND2-O 3.34Å; N188-I531 VanDerWaalsContact ND2-O 3.12Å; Y189-I531 HydrophobicContact CD2-CG2 4.12Å; Y189-I531 HydrophobicContact CG-CG2 4.49Å; F448-I531 HydrophobicContact CZ-CG1 4.35Å; I526-I531 HydrophobicContact CD1-CD1 4.06Å; I526-I531 HydrophobicContact CG1-CD1 4.11Å; I531-Y542 HydrophobicContact CD1-CD2 4.06Å
532	S	93.4	Very high	89.7	Confident	46 Å²	46	41.7 Å²	41.7	32%	0.322	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-100.4	139.4	-176.4	-178.4	0	0	0	0	112.1	D534 N539	S532-D534 PolarHBondContact O-N 3.44Å; S532-D534 PolarHBondContact OG-N 3.09Å; S532-D534 VanDerWaalsContact OG-N 3.16Å; S532-N539 PolarHBondContact N-OD1 2.96Å; S532-N539 PolarHBondContact O-ND2 3.32Å
533	E	92.5	Very high	91	Very high	65 Å²	65	38.8 Å²	38.8	30%	0.304	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.5	170.8	-174.3	168.8	159.6	0	0	111.8	N188 K191 S192	N188-E533 HydrophobicContact CB-CB 4.28Å; K191-E533 HydrophobicContact CB-CG 3.86Å; K191-E533 HydrophobicContact CD-CG 3.9Å; K191-E533 WeakPolarHBondContact CD-OE1 3.41Å; K191-E533 WeakPolarHBondContact CD-OE2 3.42Å; K191-E533 IonicContact NZ-OE1 3.31Å; K191-E533 PolarHBondContact NZ-OE1 3.39Å; K191-E533 IonicContact NZ-OE2 2.66Å; K191-E533 PolarHBondContact NZ-OE2 2.85Å; S192-E533 VanDerWaalsContact CA-O 3.3Å; S192-E533 WeakPolarHBondContact CA-O 3.34Å; S192-E533 WeakPolarHBondContact CB-O 3.39Å
534	D	89.6	Confident	92.1	Very high	138 Å²	138	34.2 Å²	34.2	74%	0.738	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	6.5	-173.7	-58.5	-44.5	0	0	0	114.4	S532	S532-D534 PolarHBondContact O-N 3.44Å; S532-D534 PolarHBondContact OG-N 3.09Å; S532-D534 VanDerWaalsContact OG-N 3.16Å
535	D	90.6	Very high	92.8	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.102	18%	0.175	C	C	.	.			trans	-137.1	68.6	-176	-152.2	-34.2	0	0	0	112.8	K210 F537 M538 N539	K210-D535 IonicContact NZ-OD2 2.73Å; K210-D535 PolarHBondContact NZ-OD2 3.16Å; D535-F537 PolarHBondContact O-N 3.42Å; D535-M538 HydrophobicContact CB-CB 4.14Å; D535-M538 VanDerWaalsContact CG-CB 3.45Å; D535-M538 PolarHBondContact O-N 2.89Å; D535-M538 WeakPolarHBondContact OD1-CB 3.48Å; D535-M538 PolarHBondContact OD1-N 3.22Å; D535-M538 VanDerWaalsContact OD1-N 3.13Å; D535-N539 PolarHBondContact O-N 3.32Å; D535-N539 PolarHBondContact O-OD1 3.19Å
536	Y	92.8	Very high	93.1	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-56.2	-46.7	-178.1	175.9	-119.1	0	0	0	112.8	S192 C193 I420 R423 Y424 E443 M538 N539 V540	S192-Y536 WeakPolarHBondContact O-CB 3.24Å; C193-Y536 VanDerWaalsContact CA-CD2 3.47Å; C193-Y536 HydrophobicContact CB-CD2 3.74Å; C193-Y536 HydrophobicContact CB-CE2 3.48Å; C193-Y536 VanDerWaalsContact CB-CE2 3.48Å; C193-Y536 VanDerWaalsContact SG-CE2 3.6Å; I420-Y536 HydrophobicContact CG2-CE1 3.83Å; R423-Y536 PolarHBondContact NH1-OH 2.93Å; Y424-Y536 HydrophobicContact CE2-CE1 4.37Å; E443-Y536 PolarHBondContact OE1-OH 3.08Å; E443-Y536 WeakPolarHBondContact OE2-CE2 3.43Å; E443-Y536 PolarHBondContact OE2-OH 2.88Å; Y536-M538 PolarHBondContact O-N 3.08Å; Y536-N539 WeakPolarHBondContact O-CB 3.33Å; Y536-N539 PolarHBondContact O-N 3.4Å; Y536-V540 HydrophobicContact CD1-CG2 4.42Å; Y536-V540 HydrophobicContact CD2-CG2 4.1Å; Y536-V540 HydrophobicContact CE1-CG2 3.9Å; Y536-V540 HydrophobicContact CE2-CG2 3.51Å; Y536-V540 HydrophobicContact CG-CG2 4.5Å; Y536-V540 WeakPolarHBondContact O-CG2 3.43Å; Y536-V540 PolarHBondContact O-N 3.18Å
537	F	93	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.9	-33.3	-177	-76.9	-80.2	0	0	0	113.2	I204 E207 V208 L211 I420 L421 Y424 D535 Y541	I204-F537 HydrophobicContact CD1-CE2 4.18Å; I204-F537 HydrophobicContact CG2-CE2 3.83Å; I204-F537 HydrophobicContact CG2-CZ 3.72Å; E207-F537 HydrophobicContact CB-CD2 3.65Å; E207-F537 HydrophobicContact CB-CE2 4.15Å; E207-F537 VanDerWaalsContact OE2-CD2 3.29Å; E207-F537 WeakPolarHBondContact OE2-CD2 3.41Å; E207-F537 WeakPolarHBondContact OE2-CE2 3.42Å; V208-F537 HydrophobicContact CG2-CD1 3.99Å; V208-F537 HydrophobicContact CG2-CD2 4.3Å; V208-F537 HydrophobicContact CG2-CE1 3.71Å; V208-F537 HydrophobicContact CG2-CE2 4.04Å; V208-F537 HydrophobicContact CG2-CG 4.27Å; V208-F537 HydrophobicContact CG2-CZ 3.74Å; L211-F537 HydrophobicContact CB-CB 4.47Å; L211-F537 HydrophobicContact CD2-CB 3.96Å; I420-F537 HydrophobicContact CG2-CE1 4.27Å; L421-F537 HydrophobicContact CD2-CE1 3.74Å; L421-F537 HydrophobicContact CD2-CZ 4.23Å; Y424-F537 HydrophobicContact CD2-CZ 4.15Å; Y424-F537 AromaticContact CE2-CZ 3.86Å; Y424-F537 HydrophobicContact CE2-CZ 3.86Å; D535-F537 PolarHBondContact O-N 3.42Å; F537-Y541 PolarHBondContact O-N 3.07Å; F537-Y541 VanDerWaalsContact O-N 3.11Å
538	M	94.9	Very high	93.2	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.069	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-40.1	171.1	-167.3	66.1	71.6	0	0	111.7	L211 T214 L215 D535 Y536 V540 Y541 Y542	L211-M538 HydrophobicContact CD1-CE 3.73Å; L211-M538 HydrophobicContact CD1-SD 3.72Å; T214-M538 HydrophobicContact CG2-CE 3.59Å; L215-M538 HydrophobicContact CD2-SD 4.45Å; D535-M538 HydrophobicContact CB-CB 4.14Å; D535-M538 VanDerWaalsContact CG-CB 3.45Å; D535-M538 PolarHBondContact O-N 2.89Å; D535-M538 WeakPolarHBondContact OD1-CB 3.48Å; D535-M538 PolarHBondContact OD1-N 3.22Å; D535-M538 VanDerWaalsContact OD1-N 3.13Å; Y536-M538 PolarHBondContact O-N 3.08Å; M538-V540 VanDerWaalsContact C-N 3.31Å; M538-V540 PolarHBondContact O-N 3.18Å; M538-Y541 WeakPolarHBondContact O-CB 3.33Å; M538-Y541 PolarHBondContact O-N 3.36Å; M538-Y541 VanDerWaalsContact O-N 3.1Å; M538-Y541 HydrophobicContact SD-CD1 4.03Å; M538-Y542 HydrophobicContact CG-CD2 4.24Å; M538-Y542 HydrophobicContact CG-CE1 4.15Å; M538-Y542 HydrophobicContact CG-CE2 3.56Å; M538-Y542 VanDerWaalsContact CG-CZ 3.49Å; M538-Y542 WeakPolarHBondContact O-CD2 3.17Å; M538-Y542 PolarHBondContact O-N 2.89Å; M538-Y542 HydrophobicContact SD-CE1 4.11Å
539	N	95.4	Very high	93.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-40.6	174.8	-66.6	-11.2	0	0	0	111.9	Y189 S192 S532 D535 Y536 Y541 Y542 S543	Y189-N539 HydrophobicContact CD2-CB 3.72Å; Y189-N539 HydrophobicContact CE2-CB 3.66Å; Y189-N539 WeakPolarHBondContact CE2-O 3.49Å; S192-N539 PolarHBondContact OG-ND2 3.25Å; S532-N539 PolarHBondContact N-OD1 2.96Å; S532-N539 PolarHBondContact O-ND2 3.32Å; D535-N539 PolarHBondContact O-N 3.32Å; D535-N539 PolarHBondContact O-OD1 3.19Å; Y536-N539 WeakPolarHBondContact O-CB 3.33Å; Y536-N539 PolarHBondContact O-N 3.4Å; N539-Y541 VanDerWaalsContact C-N 3.33Å; N539-Y541 PolarHBondContact O-N 3.3Å; N539-Y542 PolarHBondContact O-N 3.03Å; N539-S543 PolarHBondContact O-N 3.5Å
540	V	94.3	Very high	93.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-44.8	171.9	160.6	0	0	0	0	111.4	M417 I420 Y536 M538 Y542 S543 Q544	M417-V540 HydrophobicContact SD-CG1 4.45Å; I420-V540 HydrophobicContact CD1-CB 4.14Å; I420-V540 HydrophobicContact CD1-CG1 3.17Å; I420-V540 HydrophobicContact CD1-CG2 3.83Å; I420-V540 HydrophobicContact CG2-CG2 4.44Å; Y536-V540 HydrophobicContact CD1-CG2 4.42Å; Y536-V540 HydrophobicContact CD2-CG2 4.1Å; Y536-V540 HydrophobicContact CE1-CG2 3.9Å; Y536-V540 HydrophobicContact CE2-CG2 3.51Å; Y536-V540 HydrophobicContact CG-CG2 4.5Å; Y536-V540 WeakPolarHBondContact O-CG2 3.43Å; Y536-V540 PolarHBondContact O-N 3.18Å; M538-V540 VanDerWaalsContact C-N 3.31Å; M538-V540 PolarHBondContact O-N 3.18Å; V540-Y542 VanDerWaalsContact C-N 3.35Å; V540-Y542 PolarHBondContact O-N 2.85Å; V540-S543 WeakPolarHBondContact O-CB 3.33Å; V540-S543 PolarHBondContact O-N 3.08Å; V540-Q544 WeakPolarHBondContact O-CG 3.4Å; V540-Q544 PolarHBondContact O-N 2.94Å
541	Y	96.1	Very high	92.9	Very high	12 Å²	12	29.3 Å²	29.3	5%	0.047	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-43	176	170.3	-106.7	0	0	0	111.7	L215 P250 Q254 F413 F537 M538 N539 S543 Q544 K545	L215-Y541 HydrophobicContact CD1-CD1 4.11Å; L215-Y541 HydrophobicContact CD1-CD2 3.81Å; L215-Y541 HydrophobicContact CD1-CE1 4.24Å; L215-Y541 HydrophobicContact CD1-CE2 3.97Å; L215-Y541 HydrophobicContact CD1-CG 3.88Å; L215-Y541 HydrophobicContact CD2-CD1 3.95Å; L215-Y541 HydrophobicContact CD2-CE1 3.57Å; P250-Y541 WeakPolarHBondContact CA-OH 3.42Å; P250-Y541 HydrophobicContact CB-CE2 4.49Å; P250-Y541 WeakPolarHBondContact O-CE2 3.27Å; P250-Y541 PolarHBondContact O-OH 3.2Å; Q254-Y541 HydrophobicContact CB-CE2 4.29Å; F413-Y541 AromaticContact CE2-CD2 3.7Å; F413-Y541 HydrophobicContact CE2-CD2 3.7Å; F413-Y541 AromaticContact CE2-CE2 3.94Å; F413-Y541 HydrophobicContact CE2-CE2 3.94Å; F413-Y541 AromaticContact CZ-CD2 3.88Å; F413-Y541 HydrophobicContact CZ-CD2 3.88Å; F413-Y541 HydrophobicContact CZ-CE2 4.49Å; F537-Y541 PolarHBondContact O-N 3.07Å; F537-Y541 VanDerWaalsContact O-N 3.11Å; M538-Y541 WeakPolarHBondContact O-CB 3.33Å; M538-Y541 PolarHBondContact O-N 3.36Å; M538-Y541 VanDerWaalsContact O-N 3.1Å; M538-Y541 HydrophobicContact SD-CD1 4.03Å; N539-Y541 VanDerWaalsContact C-N 3.33Å; N539-Y541 PolarHBondContact O-N 3.3Å; Y541-S543 VanDerWaalsContact C-N 3.32Å; Y541-S543 PolarHBondContact O-N 2.81Å; Y541-Q544 PolarHBondContact O-N 3.27Å; Y541-K545 WeakPolarHBondContact O-CB 3.46Å; Y541-K545 PolarHBondContact O-N 2.79Å
542	Y	95.9	Very high	92.7	Very high	49 Å²	49	29.1 Å²	29.1	19%	0.192	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-35.9	174.9	-61.6	-32.9	0	0	0	112.9	N529 I531 M538 N539 V540 K545 T546	N529-Y542 HydrophobicContact CB-CD1 3.66Å; N529-Y542 HydrophobicContact CB-CD2 3.52Å; N529-Y542 HydrophobicContact CB-CE1 3.74Å; N529-Y542 HydrophobicContact CB-CE2 3.58Å; N529-Y542 HydrophobicContact CB-CG 3.56Å; N529-Y542 VanDerWaalsContact CG-CD1 3.46Å; N529-Y542 WeakPolarHBondContact OD1-CE1 3.43Å; I531-Y542 HydrophobicContact CD1-CD2 4.06Å; M538-Y542 HydrophobicContact CG-CD2 4.24Å; M538-Y542 HydrophobicContact CG-CE1 4.15Å; M538-Y542 HydrophobicContact CG-CE2 3.56Å; M538-Y542 VanDerWaalsContact CG-CZ 3.49Å; M538-Y542 WeakPolarHBondContact O-CD2 3.17Å; M538-Y542 PolarHBondContact O-N 2.89Å; M538-Y542 HydrophobicContact SD-CE1 4.11Å; N539-Y542 PolarHBondContact O-N 3.03Å; V540-Y542 VanDerWaalsContact C-N 3.35Å; V540-Y542 PolarHBondContact O-N 2.85Å; Y542-K545 PolarHBondContact O-N 3.05Å; Y542-T546 WeakPolarHBondContact O-CB 3.33Å; Y542-T546 PolarHBondContact O-N 2.89Å; Y542-T546 PolarHBondContact O-OG1 3.16Å
543	S	94.8	Very high	92.3	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-49.8	170.7	176.1	0	0	0	0	111.6	N447 N539 V540 Y541 K545 T546 K547	N447-S543 PolarHBondContact ND2-OG 3.13Å; N447-S543 WeakPolarHBondContact OD1-CA 3.46Å; N447-S543 WeakPolarHBondContact OD1-CB 3.34Å; N447-S543 PolarHBondContact OD1-OG 3.11Å; N539-S543 PolarHBondContact O-N 3.5Å; V540-S543 WeakPolarHBondContact O-CB 3.33Å; V540-S543 PolarHBondContact O-N 3.08Å; Y541-S543 VanDerWaalsContact C-N 3.32Å; Y541-S543 PolarHBondContact O-N 2.81Å; S543-K545 PolarHBondContact O-N 3.3Å; S543-T546 WeakPolarHBondContact O-CB 3.47Å; S543-T546 PolarHBondContact O-N 3.44Å; S543-K547 WeakPolarHBondContact O-CG 3.38Å; S543-K547 PolarHBondContact O-N 2.74Å; S543-K547 WeakPolarHBondContact OG-CE 3.05Å
544	Q	94.8	Very high	91.7	Very high	28 Å²	28	34.6 Å²	34.6	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-43.8	178.6	-68.9	175.1	-23.3	0	0	111.8	Q254 V540 Y541 T546 K547 F548	Q254-Q544 HydrophobicContact CG-CB 3.95Å; Q254-Q544 HydrophobicContact CG-CG 4.46Å; V540-Q544 WeakPolarHBondContact O-CG 3.4Å; V540-Q544 PolarHBondContact O-N 2.94Å; Y541-Q544 PolarHBondContact O-N 3.27Å; Q544-T546 VanDerWaalsContact C-N 3.32Å; Q544-T546 PolarHBondContact O-N 3.05Å; Q544-K547 PolarHBondContact O-N 3.39Å; Q544-F548 PolarHBondContact O-N 3.39Å; Q544-F548 VanDerWaalsContact O-N 3.14Å
545	K	95.2	Very high	91.4	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-55.2	-46.3	172.6	178.3	179.5	170.8	-169.9	0	112	L253 E366 N529 Y541 Y542 S543 K547 F548 L549	L253-K545 HydrophobicContact CB-CG 4.23Å; L253-K545 HydrophobicContact CD1-CD 4.36Å; L253-K545 HydrophobicContact CD2-CG 4.45Å; L253-K545 VanDerWaalsContact O-CA 3.27Å; L253-K545 WeakPolarHBondContact O-CA 3.35Å; E366-K545 VanDerWaalsContact CD-CE 3.43Å; E366-K545 IonicContact OE1-NZ 3.36Å; E366-K545 PolarHBondContact OE1-NZ 2.96Å; E366-K545 WeakPolarHBondContact OE2-CE 3.5Å; E366-K545 IonicContact OE2-NZ 3.79Å; E366-K545 PolarHBondContact OE2-NZ 2.95Å; N529-K545 PolarHBondContact OD1-NZ 3.17Å; Y541-K545 WeakPolarHBondContact O-CB 3.46Å; Y541-K545 PolarHBondContact O-N 2.79Å; Y542-K545 PolarHBondContact O-N 3.05Å; S543-K545 PolarHBondContact O-N 3.3Å; K545-K547 PolarHBondContact O-N 2.99Å; K545-F548 PolarHBondContact O-N 2.85Å; K545-L549 HydrophobicContact CG-CD1 4.01Å; K545-L549 HydrophobicContact CG-CG 4.49Å; K545-L549 WeakPolarHBondContact O-CG 3.24Å; K545-L549 PolarHBondContact O-N 3.43Å
546	T	93.2	Very high	91	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-44.7	179.3	-62.7	0	0	0	0	111.8	D524 F525 I526 Y542 S543 Q544 F548 L549 K550	D524-T546 WeakPolarHBondContact OD1-CG2 3.19Å; F525-T546 HydrophobicContact CB-CG2 4.1Å; I526-T546 WeakPolarHBondContact CA-OG1 3.46Å; I526-T546 HydrophobicContact CB-CG2 4.11Å; I526-T546 PolarHBondContact N-OG1 3.44Å; I526-T546 VanDerWaalsContact N-OG1 3.08Å; Y542-T546 WeakPolarHBondContact O-CB 3.33Å; Y542-T546 PolarHBondContact O-N 2.89Å; Y542-T546 PolarHBondContact O-OG1 3.16Å; S543-T546 WeakPolarHBondContact O-CB 3.47Å; S543-T546 PolarHBondContact O-N 3.44Å; Q544-T546 VanDerWaalsContact C-N 3.32Å; Q544-T546 PolarHBondContact O-N 3.05Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 3.48Å; T546-L549 PolarHBondContact O-N 2.74Å; T546-K550 HydrophobicContact CG2-CD 4.12Å; T546-K550 HydrophobicContact CG2-CG 4.36Å; T546-K550 WeakPolarHBondContact O-CB 3.36Å; T546-K550 WeakPolarHBondContact O-CG 3.46Å; T546-K550 PolarHBondContact O-N 3.18Å
547	K	91.1	Very high	90	Very high	83 Å²	83	31.7 Å²	31.7	36%	0.361	15%	0.151	S	C	.	.	H	α-helix	trans	-60.5	-43.5	178.1	-66.9	175.9	-160.9	-167.2	0	111.9	E446 S543 Q544 K545 K550 S551	E446-K547 WeakPolarHBondContact OE1-CE 3.47Å; E446-K547 IonicContact OE1-NZ 3.92Å; E446-K547 PolarHBondContact OE1-NZ 3.4Å; E446-K547 WeakPolarHBondContact OE2-CE 2.96Å; E446-K547 IonicContact OE2-NZ 2.73Å; E446-K547 PolarHBondContact OE2-NZ 3.11Å; S543-K547 WeakPolarHBondContact O-CG 3.38Å; S543-K547 PolarHBondContact O-N 2.74Å; S543-K547 WeakPolarHBondContact OG-CE 3.05Å; Q544-K547 PolarHBondContact O-N 3.39Å; K545-K547 PolarHBondContact O-N 2.99Å; K547-K550 PolarHBondContact O-N 3.4Å; K547-S551 PolarHBondContact O-N 3.01Å
548	F	93	Very high	88.5	Confident	13 Å²	13	36.5 Å²	36.5	6%	0.057	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-47.9	176.2	175.1	-116	0	0	0	111.6	L253 L263 I363 Q544 K545 T546 K550 S551 I552	L253-F548 HydrophobicContact CD2-CD1 4.27Å; L253-F548 HydrophobicContact CD2-CE1 4.34Å; L253-F548 WeakPolarHBondContact O-CB 3.22Å; L263-F548 HydrophobicContact CD2-CZ 4.14Å; I363-F548 HydrophobicContact CG2-CE1 4.46Å; Q544-F548 PolarHBondContact O-N 3.39Å; Q544-F548 VanDerWaalsContact O-N 3.14Å; K545-F548 PolarHBondContact O-N 2.85Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 3.48Å; F548-K550 PolarHBondContact O-N 2.97Å; F548-S551 WeakPolarHBondContact O-CB 3.45Å; F548-S551 PolarHBondContact O-N 3.16Å; F548-S551 VanDerWaalsContact O-N 3.1Å; F548-S551 PolarHBondContact O-OG 3.42Å; F548-I552 HydrophobicContact CD1-CD1 4.35Å; F548-I552 HydrophobicContact CE1-CD1 3.7Å; F548-I552 HydrophobicContact CE2-CD1 4.06Å; F548-I552 HydrophobicContact CE2-CG1 4.32Å; F548-I552 HydrophobicContact CZ-CD1 3.56Å; F548-I552 HydrophobicContact CZ-CG1 4.3Å; F548-I552 PolarHBondContact O-N 2.88Å
549	L	92.1	Very high	86.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-40.9	178.6	-67.1	174.7	0	0	0	112.5	L253 I363 E366 L367 F525 K545 T546 S551 I552 Y553	L253-L549 HydrophobicContact CD2-CD2 4.28Å; I363-L549 HydrophobicContact CG2-CD2 4.5Å; E366-L549 HydrophobicContact CB-CD1 3.82Å; E366-L549 HydrophobicContact CB-CD2 3.93Å; L367-L549 HydrophobicContact CD2-CB 3.83Å; L367-L549 HydrophobicContact CD2-CD2 3.8Å; L367-L549 HydrophobicContact CD2-CG 4.34Å; L367-L549 HydrophobicContact CG-CD2 4.05Å; F525-L549 HydrophobicContact CB-CB 4.16Å; F525-L549 HydrophobicContact CB-CD1 3.81Å; F525-L549 HydrophobicContact CD1-CB 4.33Å; F525-L549 HydrophobicContact CD1-CD1 4.19Å; F525-L549 HydrophobicContact CD2-CB 3.43Å; F525-L549 VanDerWaalsContact CD2-CB 3.43Å; F525-L549 HydrophobicContact CE2-CB 3.86Å; F525-L549 HydrophobicContact CG-CB 3.71Å; F525-L549 HydrophobicContact CG-CD1 3.92Å; F525-L549 HydrophobicContact CG-CG 4.48Å; F525-L549 HydrophobicContact CZ-CB 4.5Å; K545-L549 HydrophobicContact CG-CD1 4.01Å; K545-L549 HydrophobicContact CG-CG 4.49Å; K545-L549 WeakPolarHBondContact O-CG 3.24Å; K545-L549 PolarHBondContact O-N 3.43Å; T546-L549 PolarHBondContact O-N 2.74Å; L549-S551 VanDerWaalsContact C-N 3.29Å; L549-S551 PolarHBondContact O-N 3.37Å; L549-I552 PolarHBondContact O-N 2.94Å; L549-Y553 PolarHBondContact O-N 3.43Å
550	K	87.6	Confident	84.7	Confident	59 Å²	59	44.6 Å²	44.6	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-39.8	172.3	-75.6	-178.6	178.3	175.8	0	111.9	D524 F525 T546 K547 F548 I552 Y553 K554	D524-K550 VanDerWaalsContact CG-CE 3.44Å; D524-K550 WeakPolarHBondContact OD1-CE 3.33Å; D524-K550 IonicContact OD1-NZ 3.15Å; D524-K550 PolarHBondContact OD1-NZ 3.42Å; D524-K550 VanDerWaalsContact OD1-NZ 3.11Å; D524-K550 WeakPolarHBondContact OD2-CE 3.33Å; D524-K550 IonicContact OD2-NZ 3.69Å; D524-K550 PolarHBondContact OD2-NZ 3.45Å; F525-K550 HydrophobicContact CD2-CG 3.95Å; F525-K550 HydrophobicContact CE2-CG 4.26Å; T546-K550 HydrophobicContact CG2-CD 4.12Å; T546-K550 HydrophobicContact CG2-CG 4.36Å; T546-K550 WeakPolarHBondContact O-CB 3.36Å; T546-K550 WeakPolarHBondContact O-CG 3.46Å; T546-K550 PolarHBondContact O-N 3.18Å; K547-K550 PolarHBondContact O-N 3.4Å; F548-K550 PolarHBondContact O-N 2.97Å; K550-I552 VanDerWaalsContact C-N 3.3Å; K550-I552 PolarHBondContact O-N 3.16Å; K550-Y553 PolarHBondContact O-N 3.15Å; K550-K554 WeakPolarHBondContact O-CB 3.49Å; K550-K554 PolarHBondContact O-N 2.75Å
551	S	86.9	Confident	82.8	Confident	65 Å²	65	47.8 Å²	47.8	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-34.5	177.3	81	0	0	0	0	112.8	K547 F548 L549	K547-S551 PolarHBondContact O-N 3.01Å; F548-S551 WeakPolarHBondContact O-CB 3.45Å; F548-S551 PolarHBondContact O-N 3.16Å; F548-S551 VanDerWaalsContact O-N 3.1Å; F548-S551 PolarHBondContact O-OG 3.42Å; L549-S551 VanDerWaalsContact C-N 3.29Å; L549-S551 PolarHBondContact O-N 3.37Å
552	I	89.4	Confident	80.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-72.2	-47.5	173.5	-62.9	176.2	0	0	0	110.3	L263 L265 I363 F364 L367 F548 L549 K550 K554 S555 L556	L263-I552 HydrophobicContact CD2-CD1 4.3Å; L265-I552 HydrophobicContact CB-CG2 3.97Å; L265-I552 HydrophobicContact CD2-CG2 3.85Å; L265-I552 HydrophobicContact CG-CG2 4.44Å; I363-I552 HydrophobicContact CG2-CD1 3.71Å; F364-I552 HydrophobicContact CE1-CG2 4.35Å; L367-I552 HydrophobicContact CD1-CB 4.04Å; L367-I552 HydrophobicContact CD1-CG2 3.45Å; L367-I552 VanDerWaalsContact CD1-CG2 3.45Å; F548-I552 HydrophobicContact CD1-CD1 4.35Å; F548-I552 HydrophobicContact CE1-CD1 3.7Å; F548-I552 HydrophobicContact CE2-CD1 4.06Å; F548-I552 HydrophobicContact CE2-CG1 4.32Å; F548-I552 HydrophobicContact CZ-CD1 3.56Å; F548-I552 HydrophobicContact CZ-CG1 4.3Å; F548-I552 PolarHBondContact O-N 2.88Å; L549-I552 PolarHBondContact O-N 2.94Å; K550-I552 VanDerWaalsContact C-N 3.3Å; K550-I552 PolarHBondContact O-N 3.16Å; I552-K554 VanDerWaalsContact C-N 3.3Å; I552-K554 PolarHBondContact O-N 2.73Å; I552-S555 PolarHBondContact O-N 3.48Å; I552-S555 VanDerWaalsContact O-N 3.09Å; I552-L556 HydrophobicContact CG2-CD1 4.39Å; I552-L556 PolarHBondContact O-N 2.9Å
553	Y	85.3	Confident	79.3	Confident	69 Å²	69	50.9 Å²	50.9	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-39.1	-177.1	-172.8	-96.7	0	0	0	112.6	F525 L549 K550 S555 L556 D557	F525-Y553 HydrophobicContact CE2-CG 4.41Å; F525-Y553 HydrophobicContact CZ-CD2 4.13Å; F525-Y553 HydrophobicContact CZ-CG 4.19Å; L549-Y553 PolarHBondContact O-N 3.43Å; K550-Y553 PolarHBondContact O-N 3.15Å; Y553-S555 PolarHBondContact O-N 3.46Å; Y553-L556 WeakPolarHBondContact O-CA 3.46Å; Y553-L556 WeakPolarHBondContact O-CB 3.37Å; Y553-L556 PolarHBondContact O-N 3.48Å; Y553-D557 HydrophobicContact CE1-CB 4.12Å; Y553-D557 PolarHBondContact O-N 3.01Å; Y553-D557 VanDerWaalsContact O-N 3.07Å
554	K	80.6	Confident	77.8	Confident	157 Å²	157	51.1 Å²	51.1	68%	0.683	27%	0.27	S	S	*	.	H	α-helix	trans	-57.2	-34.2	176.1	-173.7	177.6	-179.8	178.6	0	112.9	K550 I552 L556	K550-K554 WeakPolarHBondContact O-CB 3.49Å; K550-K554 PolarHBondContact O-N 2.75Å; I552-K554 VanDerWaalsContact C-N 3.3Å; I552-K554 PolarHBondContact O-N 2.73Å; K554-L556 VanDerWaalsContact C-N 3.31Å
555	S	82.9	Confident	76.6	Confident	26 Å²	26	50 Å²	50	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-77.5	-16.6	176.5	-64.6	0	0	0	0	112.9	L265 N267 I552 Y553	L265-S555 WeakPolarHBondContact O-CB 3.33Å; L265-S555 PolarHBondContact O-OG 3.13Å; N267-S555 WeakPolarHBondContact CB-O 3.44Å; N267-S555 PolarHBondContact ND2-O 2.86Å; I552-S555 PolarHBondContact O-N 3.48Å; I552-S555 VanDerWaalsContact O-N 3.09Å; Y553-S555 PolarHBondContact O-N 3.46Å
556	L	82.5	Confident	75.7	Confident	28 Å²	28	49.5 Å²	49.5	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-88	-34.6	176.7	-63.3	174	0	0	0	113.1	L265 P271 Y369 M375 I552 Y553 K554	L265-L556 HydrophobicContact CD2-CD1 4.32Å; L265-L556 HydrophobicContact CD2-CD2 3.27Å; L265-L556 HydrophobicContact CD2-CG 3.47Å; L265-L556 VanDerWaalsContact CD2-CG 3.47Å; P271-L556 HydrophobicContact CB-CD2 4.07Å; P271-L556 HydrophobicContact CG-CD2 4.42Å; Y369-L556 HydrophobicContact CD1-CD1 4.21Å; Y369-L556 HydrophobicContact CD2-CD1 3.95Å; Y369-L556 HydrophobicContact CE1-CD1 4.46Å; Y369-L556 HydrophobicContact CE1-CD2 4.11Å; Y369-L556 HydrophobicContact CE2-CD1 4.19Å; Y369-L556 HydrophobicContact CE2-CD2 4.31Å; Y369-L556 HydrophobicContact CG-CD1 3.94Å; M375-L556 HydrophobicContact CE-CD2 3.21Å; I552-L556 HydrophobicContact CG2-CD1 4.39Å; I552-L556 PolarHBondContact O-N 2.9Å; Y553-L556 WeakPolarHBondContact O-CA 3.46Å; Y553-L556 WeakPolarHBondContact O-CB 3.37Å; Y553-L556 PolarHBondContact O-N 3.48Å; K554-L556 VanDerWaalsContact C-N 3.31Å
557	D	72	Confident	75	Confident	43 Å²	43	49.9 Å²	49.9	23%	0.23	26%	0.264	C	S	.	.			trans	-116.2	90	-177.5	-172.4	2.9	0	0	0	110.5	Y553 N559 A560	Y553-D557 HydrophobicContact CE1-CB 4.12Å; Y553-D557 PolarHBondContact O-N 3.01Å; Y553-D557 VanDerWaalsContact O-N 3.07Å; D557-N559 PolarHBondContact O-N 3.11Å; D557-N559 PolarHBondContact OD1-N 3.45Å; D557-N559 VanDerWaalsContact OD1-N 3.12Å; D557-A560 HydrophobicContact CB-CB 4.35Å; D557-A560 VanDerWaalsContact O-CB 3.23Å; D557-A560 WeakPolarHBondContact O-CB 3.33Å; D557-A560 PolarHBondContact O-N 3.28Å; D557-A560 PolarHBondContact OD1-N 3.2Å
558	T	60.8	Low	74.2	Confident	102 Å²	102	47.4 Å²	47.4	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.7	176.5	53.4	0	0	0	0	112.9	N267 A560	N267-T558 WeakPolarHBondContact ND2-CG2 3.38Å; T558-A560 VanDerWaalsContact C-N 3.29Å
559	N	54.9	Low	73.4	Confident	137 Å²	137	46.9 Å²	46.9	73%	0.733	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	5.7	176.8	-65.6	-25.2	0	0	0	112.1	D557 E561	D557-N559 PolarHBondContact O-N 3.11Å; D557-N559 PolarHBondContact OD1-N 3.45Å; D557-N559 VanDerWaalsContact OD1-N 3.12Å; N559-E561 PolarHBondContact O-N 2.96Å
560	A	54.9	Low	72.7	Confident	47 Å²	47	47 Å²	47	39%	0.388	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-58.3	125.4	175.5	0	0	0	0	0	110	D557 T558	D557-A560 HydrophobicContact CB-CB 4.35Å; D557-A560 VanDerWaalsContact O-CB 3.23Å; D557-A560 WeakPolarHBondContact O-CB 3.33Å; D557-A560 PolarHBondContact O-N 3.28Å; D557-A560 PolarHBondContact OD1-N 3.2Å; T558-A560 VanDerWaalsContact C-N 3.29Å
561	E	56	Low	72.5	Confident	69 Å²	69	44.2 Å²	44.2	32%	0.322	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-60.6	156.1	176	-66.2	-179.3	135.5	0	0	111.2	L515 R520 N559 D563 K581	L515-E561 WeakPolarHBondContact CD2-OE2 3.47Å; R520-E561 IonicContact CZ-OE2 2.82Å; R520-E561 IonicContact NE-OE2 3.01Å; R520-E561 IonicContact NH2-OE2 2.61Å; R520-E561 PolarHBondContact NH2-OE2 2.86Å; N559-E561 PolarHBondContact O-N 2.96Å; E561-D563 PolarHBondContact O-N 3.02Å; E561-K581 IonicContact OE1-NZ 3.55Å; E561-K581 PolarHBondContact OE1-NZ 2.94Å
562	P	55.4	Low	72.1	Confident	21 Å²	21	41.5 Å²	41.5	14%	0.136	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-49.7	134.3	178.1	-25.5	32.7	0	0	0	111.4	A564 N711	P562-A564 HydrophobicContact CB-CB 4.32Å; P562-A564 PolarHBondContact O-N 2.88Å; P562-N711 WeakPolarHBondContact CG-ND2 3.44Å
563	D	62.4	Low	71.6	Confident	105 Å²	105	42.5 Å²	42.5	56%	0.561	23%	0.232	S	C	*	.	S	Bend	trans	-74.8	67.1	171.1	-168.7	12.2	0	0	0	109	R449 E561	R449-D563 IonicContact CZ-OD1 3.1Å; R449-D563 VanDerWaalsContact NH1-C 3.31Å; R449-D563 PolarHBondContact NH1-O 2.86Å; R449-D563 IonicContact NH1-OD1 3.01Å; R449-D563 PolarHBondContact NH1-OD1 3.35Å; R449-D563 IonicContact NH1-OD2 3.38Å; R449-D563 PolarHBondContact NH1-OD2 3.27Å; E561-D563 PolarHBondContact O-N 3.02Å
564	A	62.6	Low	71.2	Confident	10 Å²	10	40.9 Å²	40.9	8%	0.083	23%	0.231	C	C	.	.			trans	-129.7	146.5	179.2	0	0	0	0	0	109.6	P562 Y570	P562-A564 HydrophobicContact CB-CB 4.32Å; P562-A564 PolarHBondContact O-N 2.88Å; A564-Y570 HydrophobicContact CB-CD1 4.3Å; A564-Y570 HydrophobicContact CB-CE1 4.31Å
565	F	70.8	Confident	70.9	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.018	21%	0.205	C	C	.	.			trans	-70.7	145.1	175.4	-68.2	-87.9	0	0	0	110.9	R449 E453 F567 M568	R449-F565 HydrophobicContact CB-CD1 4.45Å; R449-F565 HydrophobicContact CB-CE1 3.7Å; R449-F565 HydrophobicContact CB-CZ 3.8Å; R449-F565 HydrophobicContact CG-CD1 3.65Å; R449-F565 HydrophobicContact CG-CE1 3.39Å; R449-F565 HydrophobicContact CG-CE2 4.3Å; R449-F565 HydrophobicContact CG-CG 4.26Å; R449-F565 HydrophobicContact CG-CZ 3.71Å; R449-F565 VanDerWaalsContact O-CE1 3.28Å; R449-F565 WeakPolarHBondContact O-CE1 3.42Å; E453-F565 HydrophobicContact CB-CD1 4.27Å; E453-F565 WeakPolarHBondContact OE2-CA 3.33Å; F565-F567 VanDerWaalsContact C-N 3.25Å; F565-F567 HydrophobicContact CB-CD1 3.91Å; F565-F567 HydrophobicContact CB-CD2 4.08Å; F565-F567 HydrophobicContact CB-CE1 3.45Å; F565-F567 VanDerWaalsContact CB-CE1 3.45Å; F565-F567 HydrophobicContact CB-CE2 3.59Å; F565-F567 HydrophobicContact CB-CG 4.18Å; F565-F567 HydrophobicContact CB-CZ 3.21Å; F565-F567 HydrophobicContact CD1-CD1 4.3Å; F565-F567 AromaticContact CD1-CE1 3.21Å; F565-F567 HydrophobicContact CD1-CE1 3.21Å; F565-F567 HydrophobicContact CD1-CE2 4.32Å; F565-F567 AromaticContact CD1-CZ 3.18Å; F565-F567 HydrophobicContact CD1-CZ 3.18Å; F565-F567 HydrophobicContact CD2-CE1 4.36Å; F565-F567 HydrophobicContact CD2-CE2 4.04Å; F565-F567 AromaticContact CD2-CZ 3.52Å; F565-F567 HydrophobicContact CD2-CZ 3.52Å; F565-F567 AromaticContact CE1-CE1 3.88Å; F565-F567 HydrophobicContact CE1-CE1 3.88Å; F565-F567 AromaticContact CE1-CZ 3.71Å; F565-F567 HydrophobicContact CE1-CZ 3.71Å; F565-F567 HydrophobicContact CE2-CZ 4.05Å; F565-F567 HydrophobicContact CG-CD1 4.41Å; F565-F567 AromaticContact CG-CE1 3.48Å; F565-F567 HydrophobicContact CG-CE1 3.48Å; F565-F567 VanDerWaalsContact CG-CE1 3.48Å; F565-F567 AromaticContact CG-CE2 3.8Å; F565-F567 HydrophobicContact CG-CE2 3.8Å; F565-F567 AromaticContact CG-CZ 3.05Å; F565-F567 HydrophobicContact CG-CZ 3.05Å; F565-F567 HydrophobicContact CZ-CZ 4.15Å; F565-F567 PolarHBondContact O-N 3.1Å; F565-M568 HydrophobicContact CB-CB 4.46Å; F565-M568 HydrophobicContact CB-CG 4.01Å; F565-M568 HydrophobicContact CB-SD 4.2Å; F565-M568 HydrophobicContact CD2-CG 4.39Å; F565-M568 HydrophobicContact CD2-SD 3.76Å; F565-M568 HydrophobicContact CG-SD 4.47Å; F565-M568 WeakPolarHBondContact O-CB 3.4Å; F565-M568 PolarHBondContact O-N 3.34Å
566	T	75.9	Confident	70.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26	177.3	51.7	0	0	0	0	114.6	E453 S459 I510 L515 M568 S583 A584 G585	E453-T566 WeakPolarHBondContact CG-OG1 3.02Å; E453-T566 WeakPolarHBondContact OE1-CB 3.48Å; E453-T566 WeakPolarHBondContact OE1-CG2 3.18Å; E453-T566 PolarHBondContact OE1-OG1 3.46Å; E453-T566 PolarHBondContact OE2-N 3.04Å; S459-T566 VanDerWaalsContact CB-OG1 3.23Å; S459-T566 WeakPolarHBondContact CB-OG1 3.34Å; S459-T566 PolarHBondContact OG-OG1 2.98Å; I510-T566 HydrophobicContact CG2-CG2 3.61Å; L515-T566 HydrophobicContact CD1-CG2 3.52Å; L515-T566 HydrophobicContact CG-CG2 4.47Å; T566-M568 VanDerWaalsContact C-N 3.3Å; T566-S583 WeakPolarHBondContact O-CB 3.4Å; T566-A584 PolarHBondContact O-N 3.01Å; T566-G585 PolarHBondContact O-N 3.08Å
567	F	77.2	Confident	70.2	Confident	9 Å²	9	45.1 Å²	45.1	4%	0.039	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.5	173.5	61.6	-106.8	0	0	0	113.1	G162 V163 E453 H456 Y458 S459 F565 G585	G162-F567 WeakPolarHBondContact O-CE2 3.11Å; V163-F567 HydrophobicContact CB-CZ 4.42Å; V163-F567 HydrophobicContact CG2-CD2 4.35Å; V163-F567 HydrophobicContact CG2-CE1 3.85Å; V163-F567 HydrophobicContact CG2-CE2 3.25Å; V163-F567 HydrophobicContact CG2-CZ 2.95Å; E453-F567 HydrophobicContact CG-CD1 4.35Å; E453-F567 HydrophobicContact CG-CE1 4.49Å; H456-F567 HydrophobicContact CB-CD1 3.72Å; H456-F567 HydrophobicContact CB-CE1 4.19Å; H456-F567 AromaticContact CE1-CG 3.73Å; H456-F567 AromaticContact CG-CD1 3.53Å; H456-F567 AromaticContact CG-CG 3.94Å; H456-F567 WeakPolarHBondContact ND1-CB 3.45Å; H456-F567 AromaticContact ND1-CD1 3.51Å; H456-F567 AromaticContact ND1-CG 3.45Å; H456-F567 WeakPolarHBondContact ND1-CG 3.49Å; Y458-F567 WeakPolarHBondContact O-CA 3.33Å; S459-F567 VanDerWaalsContact OG-CD1 3.3Å; S459-F567 WeakPolarHBondContact OG-CD1 3.44Å; F565-F567 VanDerWaalsContact C-N 3.25Å; F565-F567 HydrophobicContact CB-CD1 3.91Å; F565-F567 HydrophobicContact CB-CD2 4.08Å; F565-F567 HydrophobicContact CB-CE1 3.45Å; F565-F567 VanDerWaalsContact CB-CE1 3.45Å; F565-F567 HydrophobicContact CB-CE2 3.59Å; F565-F567 HydrophobicContact CB-CG 4.18Å; F565-F567 HydrophobicContact CB-CZ 3.21Å; F565-F567 HydrophobicContact CD1-CD1 4.3Å; F565-F567 AromaticContact CD1-CE1 3.21Å; F565-F567 HydrophobicContact CD1-CE1 3.21Å; F565-F567 HydrophobicContact CD1-CE2 4.32Å; F565-F567 AromaticContact CD1-CZ 3.18Å; F565-F567 HydrophobicContact CD1-CZ 3.18Å; F565-F567 HydrophobicContact CD2-CE1 4.36Å; F565-F567 HydrophobicContact CD2-CE2 4.04Å; F565-F567 AromaticContact CD2-CZ 3.52Å; F565-F567 HydrophobicContact CD2-CZ 3.52Å; F565-F567 AromaticContact CE1-CE1 3.88Å; F565-F567 HydrophobicContact CE1-CE1 3.88Å; F565-F567 AromaticContact CE1-CZ 3.71Å; F565-F567 HydrophobicContact CE1-CZ 3.71Å; F565-F567 HydrophobicContact CE2-CZ 4.05Å; F565-F567 HydrophobicContact CG-CD1 4.41Å; F565-F567 AromaticContact CG-CE1 3.48Å; F565-F567 HydrophobicContact CG-CE1 3.48Å; F565-F567 VanDerWaalsContact CG-CE1 3.48Å; F565-F567 AromaticContact CG-CE2 3.8Å; F565-F567 HydrophobicContact CG-CE2 3.8Å; F565-F567 AromaticContact CG-CZ 3.05Å; F565-F567 HydrophobicContact CG-CZ 3.05Å; F565-F567 HydrophobicContact CZ-CZ 4.15Å; F565-F567 PolarHBondContact O-N 3.1Å; F567-G585 VanDerWaalsContact C-CA 3.45Å; F567-G585 WeakPolarHBondContact O-CA 3.43Å
568	M	75.2	Confident	71	Confident	30 Å²	30	47.7 Å²	47.7	15%	0.148	27%	0.265	C	S	.	.	S	Bend	trans	-76.9	131.9	172	-76.7	175.8	69.9	0	0	108.7	F565 T566 Y570 S583 V707	F565-M568 HydrophobicContact CB-CB 4.46Å; F565-M568 HydrophobicContact CB-CG 4.01Å; F565-M568 HydrophobicContact CB-SD 4.2Å; F565-M568 HydrophobicContact CD2-CG 4.39Å; F565-M568 HydrophobicContact CD2-SD 3.76Å; F565-M568 HydrophobicContact CG-SD 4.47Å; F565-M568 WeakPolarHBondContact O-CB 3.4Å; F565-M568 PolarHBondContact O-N 3.34Å; T566-M568 VanDerWaalsContact C-N 3.3Å; M568-Y570 WeakPolarHBondContact O-CD1 3.28Å; M568-Y570 PolarHBondContact O-N 3.06Å; M568-Y570 VanDerWaalsContact O-N 3.12Å; M568-S583 WeakPolarHBondContact O-CB 3.44Å; M568-S583 PolarHBondContact O-OG 2.66Å; M568-V707 HydrophobicContact CB-CG1 4.28Å; M568-V707 HydrophobicContact CE-CG1 3.84Å; M568-V707 HydrophobicContact CE-CG2 4.48Å
569	P	75.8	Confident	72.2	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.013	25%	0.246	C	C	.	.			trans	-68.4	110.1	-178.9	26.4	-33.8	0	0	0	110.9	L586 Y591 V707	P569-L586 HydrophobicContact CB-CD2 3.43Å; P569-L586 VanDerWaalsContact CB-CD2 3.43Å; P569-L586 HydrophobicContact CB-CG 3.61Å; P569-Y591 HydrophobicContact CB-CD2 4.25Å; P569-Y591 HydrophobicContact CB-CE2 3.57Å; P569-Y591 HydrophobicContact CG-CE2 3.73Å; P569-V707 HydrophobicContact CG-CG1 3.61Å; P569-V707 CarbonylContact O-C 3.57Å
570	Y	77.2	Confident	73.8	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.008	21%	0.211	C	C	.	.			trans	-146.1	151.6	173.1	78.8	-97.2	0	0	0	112	I510 A564 M568 S583 L586	I510-Y570 HydrophobicContact CD1-CE2 4.08Å; I510-Y570 WeakPolarHBondContact CD1-OH 3.49Å; I510-Y570 VanDerWaalsContact CG2-OH 3.23Å; I510-Y570 WeakPolarHBondContact CG2-OH 3.17Å; A564-Y570 HydrophobicContact CB-CD1 4.3Å; A564-Y570 HydrophobicContact CB-CE1 4.31Å; M568-Y570 WeakPolarHBondContact O-CD1 3.28Å; M568-Y570 PolarHBondContact O-N 3.06Å; M568-Y570 VanDerWaalsContact O-N 3.12Å; Y570-S583 PolarHBondContact N-OG 3.42Å; Y570-S583 PolarHBondContact O-N 3.05Å; Y570-S583 PolarHBondContact O-OG 3.34Å; Y570-L586 WeakPolarHBondContact O-CD1 3.42Å
571	I	82.9	Confident	75.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.9	171.4	-170.7	168.9	0	0	0	108.8	I580 K581 I582 L586 F608 I609 Q612	I571-I580 HydrophobicContact CD1-CG2 4.03Å; I571-I580 HydrophobicContact CG1-CG2 4.01Å; I571-K581 CarbonylContact C-O 3.57Å; I571-K581 VanDerWaalsContact CA-O 3.25Å; I571-K581 WeakPolarHBondContact CA-O 3.23Å; I571-K581 WeakPolarHBondContact CG1-O 3.26Å; I571-I582 HydrophobicContact CD1-CD1 4.42Å; I571-I582 HydrophobicContact CG1-CB 4.41Å; I571-L586 HydrophobicContact CB-CD1 3.95Å; I571-L586 HydrophobicContact CG2-CD1 4.28Å; I571-F608 HydrophobicContact CD1-CB 4.38Å; I571-I609 HydrophobicContact CD1-CG1 4.44Å; I571-Q612 HydrophobicContact CD1-CB 3.71Å; I571-Q612 HydrophobicContact CD1-CG 4.28Å; I571-Q612 HydrophobicContact CG1-CB 4.03Å; I571-Q612 HydrophobicContact CG1-CG 4.08Å
572	S	79.9	Confident	76.8	Confident	8 Å²	8	35 Å²	35	6%	0.056	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.8	179.3	63.1	0	0	0	0	110.4	I580 K581	S572-I580 CarbonylContact O-C 3.52Å; S572-I580 WeakPolarHBondContact O-CA 3.3Å; S572-K581 PolarHBondContact N-O 3.23Å; S572-K581 PolarHBondContact O-N 3.15Å
573	G	78.5	Confident	78.3	Confident	22 Å²	22	34 Å²	34	23%	0.227	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	164.1	171.3	0	0	0	0	0	112.4	L579 E616	G573-L579 CarbonylContact C-O 3.56Å; G573-L579 WeakPolarHBondContact CA-O 3.36Å; G573-E616 VanDerWaalsContact CA-CD 3.49Å; G573-E616 WeakPolarHBondContact CA-OE1 3.37Å
574	S	76.1	Confident	79.5	Confident	36 Å²	36	29 Å²	29	25%	0.252	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	108.9	167.3	170	0	0	0	0	107.2	E576 N577 K578 L579	S574-E576 VanDerWaalsContact C-N 3.27Å; S574-E576 PolarHBondContact O-N 3.44Å; S574-N577 CarbonylContact O-C 3.58Å; S574-N577 PolarHBondContact O-N 3.33Å; S574-N577 PolarHBondContact OG-N 2.88Å; S574-N577 PolarHBondContact OG-ND2 3.48Å; S574-K578 WeakPolarHBondContact O-CA 3.39Å; S574-K578 PolarHBondContact O-N 3.15Å; S574-L579 PolarHBondContact N-O 3.25Å; S574-L579 PolarHBondContact O-N 3.3Å; S574-L579 VanDerWaalsContact O-N 3.14Å
575	A	74.7	Confident	80.5	Confident	16 Å²	16	28.8 Å²	28.8	13%	0.132	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.7	176.1	0	0	0	0	0	112.9	F505 K578 E616 N620	F505-A575 HydrophobicContact CZ-CB 4.31Å; A575-K578 WeakPolarHBondContact O-CG 3.24Å; A575-K578 PolarHBondContact O-N 3.25Å; A575-E616 PolarHBondContact N-OE2 3.48Å; A575-N620 WeakPolarHBondContact CB-OD1 3.42Å
576	E	72.5	Confident	81.2	Confident	176 Å²	176	28.6 Å²	28.6	82%	0.822	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-48.5	174.5	-174.8	-179.1	-173.4	0	0	111.6	S574 K578	S574-E576 VanDerWaalsContact C-N 3.27Å; S574-E576 PolarHBondContact O-N 3.44Å; E576-K578 VanDerWaalsContact C-N 3.32Å
577	N	77.6	Confident	81.9	Confident	108 Å²	108	28.8 Å²	28.8	58%	0.578	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.1	179.8	-65.4	-58	0	0	0	113.5	S574 L579	S574-N577 CarbonylContact O-C 3.58Å; S574-N577 PolarHBondContact O-N 3.33Å; S574-N577 PolarHBondContact OG-N 2.88Å; S574-N577 PolarHBondContact OG-ND2 3.48Å; N577-L579 HydrophobicContact CB-CB 4.19Å; N577-L579 PolarHBondContact O-N 3.41Å
578	K	88.7	Confident	82.3	Confident	97 Å²	97	29.5 Å²	29.5	42%	0.422	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	44.6	-174.9	-59.8	165.4	167.5	-169.9	0	112	S504 F505 Q506 S574 A575 E576	S504-K578 WeakPolarHBondContact O-CB 3.28Å; S504-K578 VanDerWaalsContact OG-CD 3.29Å; S504-K578 WeakPolarHBondContact OG-CD 3.36Å; S504-K578 WeakPolarHBondContact OG-CE 3.38Å; F505-K578 VanDerWaalsContact CA-O 3.3Å; F505-K578 WeakPolarHBondContact CA-O 3.18Å; F505-K578 VanDerWaalsContact CD1-C 3.41Å; F505-K578 HydrophobicContact CD1-CB 4.42Å; Q506-K578 PolarHBondContact N-O 2.76Å; S574-K578 WeakPolarHBondContact O-CA 3.39Å; S574-K578 PolarHBondContact O-N 3.15Å; A575-K578 WeakPolarHBondContact O-CG 3.24Å; A575-K578 PolarHBondContact O-N 3.25Å; E576-K578 VanDerWaalsContact C-N 3.32Å
579	L	87.4	Confident	82.6	Confident	42 Å²	42	29.7 Å²	29.7	22%	0.22	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.7	-171.4	-173.3	64.4	0	0	0	110.4	Q506 G573 S574 N577 K581	Q506-L579 HydrophobicContact CB-CD1 4.11Å; G573-L579 CarbonylContact C-O 3.56Å; G573-L579 WeakPolarHBondContact CA-O 3.36Å; S574-L579 PolarHBondContact N-O 3.25Å; S574-L579 PolarHBondContact O-N 3.3Å; S574-L579 VanDerWaalsContact O-N 3.14Å; N577-L579 HydrophobicContact CB-CB 4.19Å; N577-L579 PolarHBondContact O-N 3.41Å; L579-K581 HydrophobicContact CD2-CD 4.37Å; L579-K581 VanDerWaalsContact CD2-CE 3.41Å; L579-K581 HydrophobicContact CD2-CG 4.18Å; L579-K581 HydrophobicContact CG-CG 4.2Å
580	I	88.2	Confident	82.6	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.7	166.7	-64.1	173.9	0	0	0	107.6	F473 F505 Q506 L507 S508 I571 S572 Q612 L613	F473-I580 HydrophobicContact CE2-CD1 4.04Å; F473-I580 HydrophobicContact CZ-CD1 4.47Å; F505-I580 HydrophobicContact CD1-CD1 4.38Å; F505-I580 HydrophobicContact CD1-CG1 4.07Å; Q506-I580 PolarHBondContact O-N 2.94Å; L507-I580 CarbonylContact C-O 3.59Å; L507-I580 WeakPolarHBondContact CA-O 2.96Å; L507-I580 HydrophobicContact CD1-CB 4.1Å; L507-I580 HydrophobicContact CD1-CG2 3.7Å; S508-I580 PolarHBondContact N-O 3.48Å; I571-I580 HydrophobicContact CD1-CG2 4.03Å; I571-I580 HydrophobicContact CG1-CG2 4.01Å; S572-I580 CarbonylContact O-C 3.52Å; S572-I580 WeakPolarHBondContact O-CA 3.3Å; I580-Q612 HydrophobicContact CD1-CB 4.42Å; I580-Q612 HydrophobicContact CD1-CG 4.22Å; I580-Q612 HydrophobicContact CG1-CG 4.15Å; I580-Q612 HydrophobicContact CG2-CB 4.3Å; I580-Q612 HydrophobicContact CG2-CG 3.9Å; I580-L613 HydrophobicContact CD1-CB 4.07Å; I580-L613 HydrophobicContact CD1-CD1 4.04Å
581	K	86.9	Confident	82.7	Confident	47 Å²	47	30.3 Å²	30.3	20%	0.204	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.2	-176.7	-78.7	179.8	176.8	-162.1	0	108.5	S508 I510 E561 I571 S572 L579	S508-K581 WeakPolarHBondContact O-CA 3.47Å; I510-K581 HydrophobicContact CD1-CB 3.55Å; I510-K581 HydrophobicContact CD1-CD 3.8Å; I510-K581 HydrophobicContact CD1-CG 3.77Å; I510-K581 HydrophobicContact CG1-CB 4.41Å; E561-K581 IonicContact OE1-NZ 3.55Å; E561-K581 PolarHBondContact OE1-NZ 2.94Å; I571-K581 CarbonylContact C-O 3.57Å; I571-K581 VanDerWaalsContact CA-O 3.25Å; I571-K581 WeakPolarHBondContact CA-O 3.23Å; I571-K581 WeakPolarHBondContact CG1-O 3.26Å; S572-K581 PolarHBondContact N-O 3.23Å; S572-K581 PolarHBondContact O-N 3.15Å; L579-K581 HydrophobicContact CD2-CD 4.37Å; L579-K581 VanDerWaalsContact CD2-CE 3.41Å; L579-K581 HydrophobicContact CD2-CG 4.18Å; L579-K581 HydrophobicContact CG-CG 4.2Å
582	I	87.2	Confident	83	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.9	176.6	-172.6	166.3	0	0	0	110.1	L507 S508 I509 I510 I571 L586 L587 I605 I609	L507-I582 HydrophobicContact CD1-CB 4.27Å; L507-I582 HydrophobicContact CD1-CG2 3.78Å; L507-I582 HydrophobicContact CD2-CG2 4.37Å; L507-I582 HydrophobicContact CG-CG2 4.23Å; S508-I582 PolarHBondContact O-N 3.35Å; I509-I582 WeakPolarHBondContact CA-O 3.44Å; I509-I582 HydrophobicContact CB-CG2 4.35Å; I509-I582 HydrophobicContact CG1-CG2 3.84Å; I509-I582 HydrophobicContact CG2-CG2 4.43Å; I510-I582 WeakPolarHBondContact CB-O 3.19Å; I510-I582 PolarHBondContact N-O 3.48Å; I571-I582 HydrophobicContact CD1-CD1 4.42Å; I571-I582 HydrophobicContact CG1-CB 4.41Å; I582-L586 HydrophobicContact CD1-CB 4.12Å; I582-L586 HydrophobicContact CD1-CD1 4.22Å; I582-L586 HydrophobicContact CG1-CB 4.01Å; I582-L586 HydrophobicContact CG1-CD1 3.99Å; I582-L587 HydrophobicContact CD1-CD2 3.75Å; I582-L587 HydrophobicContact CD1-CG 4.21Å; I582-L587 HydrophobicContact CG1-CD2 4.45Å; I582-L587 HydrophobicContact CG1-CG 4.38Å; I582-L587 HydrophobicContact CG2-CD1 4.26Å; I582-I605 HydrophobicContact CD1-CG2 4.41Å; I582-I609 HydrophobicContact CD1-CG1 4.3Å
583	S	86.2	Confident	83.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	152.8	179.9	78.3	0	0	0	0	113.1	I510 T566 M568 Y570 G585 L586	I510-S583 CarbonylContact O-C 3.56Å; T566-S583 WeakPolarHBondContact O-CB 3.4Å; M568-S583 WeakPolarHBondContact O-CB 3.44Å; M568-S583 PolarHBondContact O-OG 2.66Å; Y570-S583 PolarHBondContact N-OG 3.42Å; Y570-S583 PolarHBondContact O-N 3.05Å; Y570-S583 PolarHBondContact O-OG 3.34Å; S583-G585 PolarHBondContact O-N 3.36Å; S583-G585 PolarHBondContact OG-N 3.04Å; S583-L586 PolarHBondContact O-N 3.4Å; S583-L586 VanDerWaalsContact O-N 3.14Å
584	A	88.3	Confident	83.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.9	171.7	0	0	0	0	0	112.3	Y458 I461 I510 T511 T566 L586 L587 N588	Y458-A584 CarbonylContact O-C 3.58Å; Y458-A584 VanDerWaalsContact O-CB 3.26Å; Y458-A584 WeakPolarHBondContact O-CB 3.5Å; I461-A584 HydrophobicContact CG2-CB 4.19Å; I510-A584 PolarHBondContact O-N 3.25Å; T511-A584 HydrophobicContact CG2-CB 4.22Å; T566-A584 PolarHBondContact O-N 3.01Å; A584-L586 VanDerWaalsContact C-N 3.34Å; A584-L586 PolarHBondContact O-N 3.24Å; A584-L587 CarbonylContact O-C 3.6Å; A584-L587 WeakPolarHBondContact O-CA 3.45Å; A584-L587 PolarHBondContact O-N 3.44Å; A584-N588 PolarHBondContact O-N 3.08Å; A584-N588 PolarHBondContact O-ND2 3.01Å
585	G	83.4	Confident	84	Confident	4 Å²	4	44.9 Å²	44.9	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.4	175.7	0	0	0	0	0	113.9	T566 F567 S583 L587	T566-G585 PolarHBondContact O-N 3.08Å; F567-G585 VanDerWaalsContact C-CA 3.45Å; F567-G585 WeakPolarHBondContact O-CA 3.43Å; S583-G585 PolarHBondContact O-N 3.36Å; S583-G585 PolarHBondContact OG-N 3.04Å; G585-L587 PolarHBondContact O-N 3.37Å
586	L	84.5	Confident	84.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.3	173.3	-83.3	177.7	0	0	0	112.5	P569 Y570 I571 I582 S583 A584 N588 Y591 I605 F608	P569-L586 HydrophobicContact CB-CD2 3.43Å; P569-L586 VanDerWaalsContact CB-CD2 3.43Å; P569-L586 HydrophobicContact CB-CG 3.61Å; Y570-L586 WeakPolarHBondContact O-CD1 3.42Å; I571-L586 HydrophobicContact CB-CD1 3.95Å; I571-L586 HydrophobicContact CG2-CD1 4.28Å; I582-L586 HydrophobicContact CD1-CB 4.12Å; I582-L586 HydrophobicContact CD1-CD1 4.22Å; I582-L586 HydrophobicContact CG1-CB 4.01Å; I582-L586 HydrophobicContact CG1-CD1 3.99Å; S583-L586 PolarHBondContact O-N 3.4Å; S583-L586 VanDerWaalsContact O-N 3.14Å; A584-L586 VanDerWaalsContact C-N 3.34Å; A584-L586 PolarHBondContact O-N 3.24Å; L586-N588 VanDerWaalsContact C-N 3.34Å; L586-Y591 HydrophobicContact CD2-CD1 4.09Å; L586-Y591 HydrophobicContact CD2-CD2 4.23Å; L586-Y591 HydrophobicContact CD2-CE1 4.27Å; L586-Y591 HydrophobicContact CD2-CE2 4.4Å; L586-Y591 HydrophobicContact CD2-CG 4.08Å; L586-Y591 WeakPolarHBondContact O-CB 3.17Å; L586-I605 WeakPolarHBondContact O-CD1 3.42Å; L586-F608 HydrophobicContact CD1-CD1 4.47Å; L586-F608 HydrophobicContact CD1-CD2 4.48Å; L586-F608 HydrophobicContact CD1-CG 4.33Å; L586-F608 HydrophobicContact CD2-CD2 3.9Å; L586-F608 HydrophobicContact CD2-CE1 4.24Å; L586-F608 HydrophobicContact CD2-CE2 3.49Å; L586-F608 VanDerWaalsContact CD2-CE2 3.49Å; L586-F608 HydrophobicContact CD2-CG 4.42Å; L586-F608 HydrophobicContact CD2-CZ 3.69Å
587	L	91.3	Very high	85.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	23.1	-176.8	-57.5	-177.2	0	0	0	112.7	I461 V469 I509 I582 A584 G585 L592 I605	I461-L587 HydrophobicContact CD1-CD1 3.94Å; I461-L587 HydrophobicContact CG2-CB 3.75Å; V469-L587 HydrophobicContact CG1-CD1 4.24Å; V469-L587 HydrophobicContact CG1-CD2 4.18Å; V469-L587 HydrophobicContact CG2-CD1 4.24Å; V469-L587 HydrophobicContact CG2-CD2 3.77Å; I509-L587 HydrophobicContact CD1-CD1 3.85Å; I509-L587 HydrophobicContact CG1-CD1 4.27Å; I509-L587 HydrophobicContact CG2-CD1 3.56Å; I582-L587 HydrophobicContact CD1-CD2 3.75Å; I582-L587 HydrophobicContact CD1-CG 4.21Å; I582-L587 HydrophobicContact CG1-CD2 4.45Å; I582-L587 HydrophobicContact CG1-CG 4.38Å; I582-L587 HydrophobicContact CG2-CD1 4.26Å; A584-L587 CarbonylContact O-C 3.6Å; A584-L587 WeakPolarHBondContact O-CA 3.45Å; A584-L587 PolarHBondContact O-N 3.44Å; G585-L587 PolarHBondContact O-N 3.37Å; L587-L592 HydrophobicContact CB-CD2 4.45Å; L587-L592 HydrophobicContact CD2-CD2 4.48Å; L587-I605 HydrophobicContact CD2-CD1 4.09Å; L587-I605 HydrophobicContact CD2-CG1 4.22Å; L587-I605 HydrophobicContact CD2-CG2 3.74Å
588	N	86.7	Confident	86.6	Confident	24 Å²	24	37.6 Å²	37.6	13%	0.128	20%	0.204	C	C	.	.	S	Bend	trans	-135.3	168.5	177.8	-86.4	-73.6	0	0	0	110.2	Y458 S460 A584 L586 Y591 L592	Y458-N588 HydrophobicContact CD1-CB 3.65Å; Y458-N588 WeakPolarHBondContact CD1-OD1 2.89Å; Y458-N588 HydrophobicContact CE1-CB 4.29Å; Y458-N588 HydrophobicContact CG-CB 3.91Å; Y458-N588 PolarHBondContact O-ND2 3.4Å; S460-N588 PolarHBondContact O-ND2 3.28Å; S460-N588 VanDerWaalsContact O-ND2 3.09Å; A584-N588 PolarHBondContact O-N 3.08Å; A584-N588 PolarHBondContact O-ND2 3.01Å; L586-N588 VanDerWaalsContact C-N 3.34Å; N588-Y591 PolarHBondContact O-N 3.19Å; N588-L592 CarbonylContact C-O 3.51Å; N588-L592 PolarHBondContact O-N 3.25Å
589	P	81.4	Confident	86.9	Confident	35 Å²	35	33.3 Å²	33.3	23%	0.227	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	142.5	175.1	-25.8	34.9	0	0	0	111.7	Y458 L592 K593	Y458-P589 HydrophobicContact CE1-CG 4.48Å; P589-L592 WeakPolarHBondContact CD-O 3.38Å; P589-K593 HydrophobicContact CB-CG 4.02Å; P589-K593 HydrophobicContact CG-CG 4.03Å
590	P	74.3	Confident	87.2	Confident	9 Å²	9	33.3 Å²	33.3	6%	0.058	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.1	-9	8.1	34	-36.9	0	0	0	115.2	F152 A157 Y596 T701	F152-P590 HydrophobicContact CB-CB 4.29Å; F152-P590 HydrophobicContact CD1-CB 3.4Å; F152-P590 HydrophobicContact CE1-CB 3.9Å; F152-P590 HydrophobicContact CG-CB 4.1Å; A157-P590 HydrophobicContact CB-CG 4.43Å; P590-Y596 PolarHBondContact O-OH 3.36Å; P590-T701 HydrophobicContact CB-CG2 4.46Å; P590-T701 HydrophobicContact CG-CG2 4.13Å
591	Y	80.9	Confident	87.5	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.027	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-40.6	-172.3	-57.5	-75.5	0	0	0	113.1	P569 L586 N588 Y596 T604 F608 M698 Y703	P569-Y591 HydrophobicContact CB-CD2 4.25Å; P569-Y591 HydrophobicContact CB-CE2 3.57Å; P569-Y591 HydrophobicContact CG-CE2 3.73Å; L586-Y591 HydrophobicContact CD2-CD1 4.09Å; L586-Y591 HydrophobicContact CD2-CD2 4.23Å; L586-Y591 HydrophobicContact CD2-CE1 4.27Å; L586-Y591 HydrophobicContact CD2-CE2 4.4Å; L586-Y591 HydrophobicContact CD2-CG 4.08Å; L586-Y591 WeakPolarHBondContact O-CB 3.17Å; N588-Y591 PolarHBondContact O-N 3.19Å; Y591-Y596 WeakPolarHBondContact O-CE2 3.15Å; Y591-T604 PolarHBondContact O-OG1 2.88Å; Y591-F608 AromaticContact CD1-CE2 3.95Å; Y591-F608 HydrophobicContact CD1-CE2 3.95Å; Y591-F608 HydrophobicContact CD1-CZ 4.32Å; Y591-F608 HydrophobicContact CE1-CE2 4.41Å; Y591-F608 HydrophobicContact CE1-CZ 4.33Å; Y591-M698 HydrophobicContact CD1-CG 3.97Å; Y591-M698 HydrophobicContact CE1-CG 4.35Å; Y591-Y703 HydrophobicContact CE2-CD2 4.44Å; Y591-Y703 WeakPolarHBondContact OH-CD2 3.29Å
592	L	87.3	Confident	88	Confident	13 Å²	13	32.7 Å²	32.7	7%	0.068	18%	0.182	C	C	.	.	S	Bend	trans	-135.3	113.4	177	-177.3	61.9	0	0	0	109.8	T465 L587 N588 P589 Y596 K601 I605	T465-L592 HydrophobicContact CG2-CD2 3.63Å; L587-L592 HydrophobicContact CB-CD2 4.45Å; L587-L592 HydrophobicContact CD2-CD2 4.48Å; N588-L592 CarbonylContact C-O 3.51Å; N588-L592 PolarHBondContact O-N 3.25Å; P589-L592 WeakPolarHBondContact CD-O 3.38Å; L592-Y596 HydrophobicContact CD1-CD2 4.06Å; L592-K601 HydrophobicContact CD1-CG 3.8Å; L592-I605 HydrophobicContact CB-CD1 4.22Å; L592-I605 HydrophobicContact CB-CG1 4.15Å; L592-I605 HydrophobicContact CD1-CG1 4.31Å; L592-I605 HydrophobicContact CD2-CG1 4.34Å
593	K	86.1	Confident	88.2	Confident	81 Å²	81	32.7 Å²	32.7	35%	0.352	18%	0.182	S	C	.	.			trans	-104	151.8	175.9	-59.3	179.7	178.6	168.7	0	111.3	P589 G595 Y596	P589-K593 HydrophobicContact CB-CG 4.02Å; P589-K593 HydrophobicContact CG-CG 4.03Å; K593-G595 PolarHBondContact O-N 3.16Å; K593-Y596 HydrophobicContact CB-CD1 3.75Å; K593-Y596 HydrophobicContact CB-CE1 3.51Å; K593-Y596 HydrophobicContact CB-CE2 4.48Å; K593-Y596 HydrophobicContact CB-CG 4.35Å; K593-Y596 HydrophobicContact CD-CE1 3.73Å; K593-Y596 HydrophobicContact CG-CD1 4.47Å; K593-Y596 HydrophobicContact CG-CE1 3.74Å; K593-Y596 PolarHBondContact O-N 3.23Å
594	E	82.8	Confident	88.4	Confident	204 Å²	204	32.9 Å²	32.9	95%	0.953	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	128.7	166.7	-168.8	175.7	-176	0	0	109.5
595	G	88.3	Confident	88.6	Confident	75 Å²	75	32.9 Å²	32.9	77%	0.773	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	-3.3	-177.9	0	0	0	0	0	115.8	K593 S597	K593-G595 PolarHBondContact O-N 3.16Å; G595-S597 PolarHBondContact O-N 3.11Å
596	Y	91.9	Very high	89.2	Confident	31 Å²	31	32.7 Å²	32.7	12%	0.122	18%	0.181	C	C	.	.			trans	-56.1	133.1	170.9	-83.4	9	0	0	0	111.6	P590 Y591 L592 K593 E600 K601	P590-Y596 PolarHBondContact O-OH 3.36Å; Y591-Y596 WeakPolarHBondContact O-CE2 3.15Å; L592-Y596 HydrophobicContact CD1-CD2 4.06Å; K593-Y596 HydrophobicContact CB-CD1 3.75Å; K593-Y596 HydrophobicContact CB-CE1 3.51Å; K593-Y596 HydrophobicContact CB-CE2 4.48Å; K593-Y596 HydrophobicContact CB-CG 4.35Å; K593-Y596 HydrophobicContact CD-CE1 3.73Å; K593-Y596 HydrophobicContact CG-CD1 4.47Å; K593-Y596 HydrophobicContact CG-CE1 3.74Å; K593-Y596 PolarHBondContact O-N 3.23Å; Y596-E600 HydrophobicContact CD1-CB 4.42Å; Y596-E600 HydrophobicContact CD2-CB 3.9Å; Y596-E600 HydrophobicContact CG-CB 3.87Å; Y596-K601 WeakPolarHBondContact O-CE 3.27Å; Y596-K601 PolarHBondContact O-NZ 3.42Å
597	S	94.2	Very high	89.6	Confident	40 Å²	40	32.7 Å²	32.7	28%	0.28	18%	0.181	S	C	.	.			trans	-68	164.2	169.6	62	0	0	0	0	111.7	G595 S599 E600 K601	G595-S597 PolarHBondContact O-N 3.11Å; S597-S599 PolarHBondContact O-N 3.09Å; S597-S599 PolarHBondContact OG-OG 3.05Å; S597-E600 WeakPolarHBondContact CB-OE2 3.5Å; S597-E600 PolarHBondContact N-OE2 3.27Å; S597-E600 PolarHBondContact O-N 2.77Å; S597-E600 VanDerWaalsContact O-N 3.1Å; S597-E600 WeakPolarHBondContact OG-CG 3.26Å; S597-E600 PolarHBondContact OG-N 3.46Å; S597-E600 PolarHBondContact OG-OE2 2.83Å; S597-K601 WeakPolarHBondContact O-CG 3.4Å; S597-K601 PolarHBondContact O-N 3.12Å
598	M	93.7	Very high	89.6	Confident	77 Å²	77	32.7 Å²	32.7	38%	0.379	18%	0.181	S	C	.	.	H	α-helix	trans	-60.3	-33.3	174.8	-66.5	-53.8	-67.1	0	0	112.2	M472 E600 K601 Y602 Y679	M472-M598 HydrophobicContact CG-CE 4.41Å; M598-E600 PolarHBondContact O-N 3.38Å; M598-K601 PolarHBondContact O-N 2.98Å; M598-K601 HydrophobicContact SD-CD 3.89Å; M598-Y602 HydrophobicContact CE-CD2 4.01Å; M598-Y602 HydrophobicContact CE-CE2 3.54Å; M598-Y602 WeakPolarHBondContact O-CB 3.37Å; M598-Y602 WeakPolarHBondContact O-CD2 3.3Å; M598-Y602 PolarHBondContact O-N 3.45Å; M598-Y679 HydrophobicContact CB-CD2 4.37Å; M598-Y679 HydrophobicContact CB-CE2 4.27Å
599	S	94.3	Very high	89.9	Confident	7 Å²	7	31.6 Å²	31.6	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-45.1	172.2	30.8	0	0	0	0	112.7	S597 G603 G687 F691	S597-S599 PolarHBondContact O-N 3.09Å; S597-S599 PolarHBondContact OG-OG 3.05Å; S599-G603 PolarHBondContact O-N 3.11Å; S599-G687 WeakPolarHBondContact CB-O 3.43Å; S599-F691 WeakPolarHBondContact O-CA 3.43Å
600	E	93.6	Very high	90.5	Very high	42 Å²	42	29.9 Å²	29.9	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-41.6	-179.6	-67	164.4	104.8	0	0	110.8	Y596 S597 M598 G603 T604 L690 S694	Y596-E600 HydrophobicContact CD1-CB 4.42Å; Y596-E600 HydrophobicContact CD2-CB 3.9Å; Y596-E600 HydrophobicContact CG-CB 3.87Å; S597-E600 WeakPolarHBondContact CB-OE2 3.5Å; S597-E600 PolarHBondContact N-OE2 3.27Å; S597-E600 PolarHBondContact O-N 2.77Å; S597-E600 VanDerWaalsContact O-N 3.1Å; S597-E600 WeakPolarHBondContact OG-CG 3.26Å; S597-E600 PolarHBondContact OG-N 3.46Å; S597-E600 PolarHBondContact OG-OE2 2.83Å; M598-E600 PolarHBondContact O-N 3.38Å; E600-G603 PolarHBondContact O-N 2.82Å; E600-T604 WeakPolarHBondContact O-CB 3.41Å; E600-T604 WeakPolarHBondContact O-CG2 3.46Å; E600-T604 PolarHBondContact O-N 2.9Å; E600-T604 PolarHBondContact O-OG1 2.92Å; E600-L690 HydrophobicContact CG-CD1 3.99Å; E600-L690 HydrophobicContact CG-CD2 3.82Å; E600-L690 HydrophobicContact CG-CG 3.72Å; E600-S694 VanDerWaalsContact CG-OG 3.27Å; E600-S694 WeakPolarHBondContact CG-OG 3.45Å
601	K	95.3	Very high	91.3	Very high	28 Å²	28	30.1 Å²	30.1	12%	0.122	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-46.8	177.4	-70.6	171.1	179.3	170.5	0	112.1	E468 M472 L592 Y596 S597 M598 T604 I605 G606	E468-K601 WeakPolarHBondContact OE1-CD 3.39Å; E468-K601 WeakPolarHBondContact OE1-CE 3.36Å; E468-K601 IonicContact OE1-NZ 2.7Å; E468-K601 PolarHBondContact OE1-NZ 2.83Å; E468-K601 IonicContact OE2-NZ 2.71Å; E468-K601 PolarHBondContact OE2-NZ 2.79Å; M472-K601 HydrophobicContact CE-CB 4.02Å; M472-K601 HydrophobicContact SD-CB 4.15Å; L592-K601 HydrophobicContact CD1-CG 3.8Å; Y596-K601 WeakPolarHBondContact O-CE 3.27Å; Y596-K601 PolarHBondContact O-NZ 3.42Å; S597-K601 WeakPolarHBondContact O-CG 3.4Å; S597-K601 PolarHBondContact O-N 3.12Å; M598-K601 PolarHBondContact O-N 2.98Å; M598-K601 HydrophobicContact SD-CD 3.89Å; K601-T604 CarbonylContact O-C 3.57Å; K601-T604 PolarHBondContact O-N 3.43Å; K601-T604 PolarHBondContact O-OG1 2.8Å; K601-I605 PolarHBondContact O-N 2.83Å; K601-G606 PolarHBondContact O-N 3.31Å
602	Y	95.8	Very high	91.8	Very high	5 Å²	5	30 Å²	30	2%	0.02	16%	0.163	C	C	.	.	I	π-helix	trans	-68.1	-39.1	175.9	-87	-72.5	0	0	0	111.6	M472 E475 L476 M598 T604 G606 W607 S675 T678 Y679	M472-Y602 HydrophobicContact CB-CE1 4.44Å; M472-Y602 HydrophobicContact CE-CD1 3.94Å; M472-Y602 HydrophobicContact CE-CD2 4.26Å; M472-Y602 HydrophobicContact CE-CE1 3.99Å; M472-Y602 HydrophobicContact CE-CE2 4.35Å; M472-Y602 HydrophobicContact CE-CG 4.04Å; M472-Y602 HydrophobicContact CG-CE1 4.45Å; M472-Y602 HydrophobicContact CG-CE2 4.29Å; E475-Y602 WeakPolarHBondContact CB-OH 3.47Å; E475-Y602 PolarHBondContact OE2-OH 2.9Å; L476-Y602 HydrophobicContact CD2-CE1 4.35Å; L476-Y602 HydrophobicContact CG-CE1 4.35Å; M598-Y602 HydrophobicContact CE-CD2 4.01Å; M598-Y602 HydrophobicContact CE-CE2 3.54Å; M598-Y602 WeakPolarHBondContact O-CB 3.37Å; M598-Y602 WeakPolarHBondContact O-CD2 3.3Å; M598-Y602 PolarHBondContact O-N 3.45Å; Y602-T604 PolarHBondContact O-N 3.45Å; Y602-T604 VanDerWaalsContact O-N 3.17Å; Y602-G606 CarbonylContact O-C 3.55Å; Y602-G606 WeakPolarHBondContact O-CA 3.5Å; Y602-W607 PolarHBondContact O-N 2.78Å; Y602-W607 VanDerWaalsContact O-N 3.11Å; Y602-S675 PolarHBondContact O-OG 2.92Å; Y602-T678 HydrophobicContact CD1-CG2 4.48Å; Y602-T678 HydrophobicContact CE1-CG2 3.55Å; Y602-T678 WeakPolarHBondContact OH-CG2 2.93Å; Y602-Y679 HydrophobicContact CD2-CD2 4.1Å; Y602-Y679 HydrophobicContact CD2-CG 4.41Å
603	G	92.4	Very high	92	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-61.6	-21.7	174.7	0	0	0	0	0	114.2	S599 E600 F691 F695	S599-G603 PolarHBondContact O-N 3.11Å; E600-G603 PolarHBondContact O-N 2.82Å; G603-F691 VanDerWaalsContact N-CD2 3.28Å; G603-F695 WeakPolarHBondContact O-CA 3.44Å; G603-F695 VanDerWaalsContact O-CB 3.26Å; G603-F695 WeakPolarHBondContact O-CB 3.44Å
604	T	90.8	Very high	92.2	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.025	14%	0.144	C	C	.	.	I	π-helix	trans	-112.6	-81.2	-178.4	53.8	0	0	0	0	112.2	Y591 E600 K601 Y602 G606 W607 F608 M698	Y591-T604 PolarHBondContact O-OG1 2.88Å; E600-T604 WeakPolarHBondContact O-CB 3.41Å; E600-T604 WeakPolarHBondContact O-CG2 3.46Å; E600-T604 PolarHBondContact O-N 2.9Å; E600-T604 PolarHBondContact O-OG1 2.92Å; K601-T604 CarbonylContact O-C 3.57Å; K601-T604 PolarHBondContact O-N 3.43Å; K601-T604 PolarHBondContact O-OG1 2.8Å; Y602-T604 PolarHBondContact O-N 3.45Å; Y602-T604 VanDerWaalsContact O-N 3.17Å; T604-G606 PolarHBondContact O-N 2.69Å; T604-W607 WeakPolarHBondContact O-CB 3.44Å; T604-W607 PolarHBondContact O-N 3.41Å; T604-F608 WeakPolarHBondContact O-CD2 3.19Å; T604-F608 PolarHBondContact O-N 3.26Å; T604-M698 HydrophobicContact CG2-CB 3.94Å; T604-M698 HydrophobicContact CG2-CG 4.36Å; T604-M698 HydrophobicContact CG2-SD 3.98Å
605	I	92.7	Very high	92.3	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.101	C	C	.	.	I	π-helix	trans	-66.3	-39.3	-176.6	-53.7	-49	0	0	0	111.7	V469 M472 I582 L586 L587 L592 K601 W607 F608 I609	V469-I605 HydrophobicContact CG1-CG2 4.48Å; V469-I605 HydrophobicContact CG2-CG2 4.42Å; M472-I605 HydrophobicContact CE-CB 4.45Å; I582-I605 HydrophobicContact CD1-CG2 4.41Å; L586-I605 WeakPolarHBondContact O-CD1 3.42Å; L587-I605 HydrophobicContact CD2-CD1 4.09Å; L587-I605 HydrophobicContact CD2-CG1 4.22Å; L587-I605 HydrophobicContact CD2-CG2 3.74Å; L592-I605 HydrophobicContact CB-CD1 4.22Å; L592-I605 HydrophobicContact CB-CG1 4.15Å; L592-I605 HydrophobicContact CD1-CG1 4.31Å; L592-I605 HydrophobicContact CD2-CG1 4.34Å; K601-I605 PolarHBondContact O-N 2.83Å; I605-W607 PolarHBondContact O-N 3.39Å; I605-F608 HydrophobicContact CD1-CD2 4.45Å; I605-F608 PolarHBondContact O-N 3.01Å; I605-I609 HydrophobicContact CG2-CD1 3.75Å; I605-I609 HydrophobicContact CG2-CG1 4.3Å; I605-I609 WeakPolarHBondContact O-CG1 3.15Å; I605-I609 PolarHBondContact O-N 3.43Å
606	G	95	Very high	92.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-58.8	-37.7	175.2	0	0	0	0	0	112.1	K601 Y602 T604 G610 S675	K601-G606 PolarHBondContact O-N 3.31Å; Y602-G606 CarbonylContact O-C 3.55Å; Y602-G606 WeakPolarHBondContact O-CA 3.5Å; T604-G606 PolarHBondContact O-N 2.69Å; G606-G610 PolarHBondContact O-N 3.1Å; G606-S675 WeakPolarHBondContact CA-OG 3.43Å
607	W	93.1	Very high	91.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.5	-47.1	174.4	173.1	74.6	0	0	0	112.4	Y602 T604 I605 I609 G610 R611 D668 L672 S675 F695 M698 M699 Y719	Y602-W607 PolarHBondContact O-N 2.78Å; Y602-W607 VanDerWaalsContact O-N 3.11Å; T604-W607 WeakPolarHBondContact O-CB 3.44Å; T604-W607 PolarHBondContact O-N 3.41Å; I605-W607 PolarHBondContact O-N 3.39Å; W607-I609 VanDerWaalsContact C-N 3.35Å; W607-I609 PolarHBondContact O-N 3.45Å; W607-G610 PolarHBondContact O-N 3.1Å; W607-R611 VanDerWaalsContact O-CB 3.29Å; W607-R611 WeakPolarHBondContact O-CB 3.39Å; W607-R611 PolarHBondContact O-N 3.26Å; W607-D668 HydrophobicContact CZ2-CB 4.21Å; W607-D668 WeakPolarHBondContact CZ2-OD1 3.12Å; W607-D668 PolarHBondContact NE1-O 3.06Å; W607-D668 VanDerWaalsContact NE1-O 3.13Å; W607-L672 HydrophobicContact CG-CD1 4.34Å; W607-S675 PolarHBondContact N-OG 3.27Å; W607-F695 HydrophobicContact CB-CD2 4.4Å; W607-F695 AromaticContact CD1-CE2 3.87Å; W607-F695 HydrophobicContact CD2-CD2 4.05Å; W607-F695 AromaticContact CD2-CE2 3.64Å; W607-F695 HydrophobicContact CD2-CE2 3.64Å; W607-F695 AromaticContact CE2-CE2 3.47Å; W607-F695 VanDerWaalsContact CE2-CE2 3.47Å; W607-F695 HydrophobicContact CE3-CE2 4.23Å; W607-F695 AromaticContact CG-CD2 3.96Å; W607-F695 HydrophobicContact CG-CD2 3.96Å; W607-F695 AromaticContact CG-CE2 3.86Å; W607-F695 HydrophobicContact CG-CE2 3.86Å; W607-F695 HydrophobicContact CH2-CE2 4.37Å; W607-F695 AromaticContact CZ2-CE2 3.84Å; W607-F695 HydrophobicContact CZ2-CE2 3.84Å; W607-F695 HydrophobicContact CZ2-CZ 4.43Å; W607-F695 AromaticContact NE1-CE2 3.65Å; W607-M698 HydrophobicContact CD2-CE 4.01Å; W607-M698 HydrophobicContact CE3-CE 3.23Å; W607-M698 HydrophobicContact CE3-SD 4.18Å; W607-M698 HydrophobicContact CH2-CE 4.42Å; W607-M698 HydrophobicContact CZ3-CE 3.47Å; W607-M698 VanDerWaalsContact CZ3-CE 3.47Å; W607-M698 HydrophobicContact CZ3-SD 4.47Å; W607-M699 HydrophobicContact CH2-CE 4.13Å; W607-M699 HydrophobicContact CH2-SD 3.4Å; W607-M699 WeakPolarHBondContact CH2-SD 3.25Å; W607-M699 HydrophobicContact CZ2-CE 4.45Å; W607-M699 HydrophobicContact CZ2-SD 4.09Å; W607-M699 HydrophobicContact CZ3-SD 3.81Å; W607-Y719 HydrophobicContact CH2-CE1 4.47Å
608	F	91.2	Very high	91.2	Very high	4 Å²	4	11 Å²	11	2%	0.018	5%	0.053	C	C	.	.	H	α-helix	trans	-57.4	-48.6	178.2	-80.8	-59.7	0	0	0	112.1	I571 L586 Y591 T604 I605 Q612 M698 I708	I571-F608 HydrophobicContact CD1-CB 4.38Å; L586-F608 HydrophobicContact CD1-CD1 4.47Å; L586-F608 HydrophobicContact CD1-CD2 4.48Å; L586-F608 HydrophobicContact CD1-CG 4.33Å; L586-F608 HydrophobicContact CD2-CD2 3.9Å; L586-F608 HydrophobicContact CD2-CE1 4.24Å; L586-F608 HydrophobicContact CD2-CE2 3.49Å; L586-F608 VanDerWaalsContact CD2-CE2 3.49Å; L586-F608 HydrophobicContact CD2-CG 4.42Å; L586-F608 HydrophobicContact CD2-CZ 3.69Å; Y591-F608 AromaticContact CD1-CE2 3.95Å; Y591-F608 HydrophobicContact CD1-CE2 3.95Å; Y591-F608 HydrophobicContact CD1-CZ 4.32Å; Y591-F608 HydrophobicContact CE1-CE2 4.41Å; Y591-F608 HydrophobicContact CE1-CZ 4.33Å; T604-F608 WeakPolarHBondContact O-CD2 3.19Å; T604-F608 PolarHBondContact O-N 3.26Å; I605-F608 HydrophobicContact CD1-CD2 4.45Å; I605-F608 PolarHBondContact O-N 3.01Å; F608-Q612 PolarHBondContact O-N 3.24Å; F608-M698 HydrophobicContact CD2-SD 3.99Å; F608-M698 HydrophobicContact CE2-CE 4.36Å; F608-M698 HydrophobicContact CE2-CG 4.25Å; F608-M698 HydrophobicContact CE2-SD 3.3Å; F608-M698 WeakPolarHBondContact CE2-SD 3.12Å; F608-M698 HydrophobicContact CZ-CE 4.43Å; F608-M698 HydrophobicContact CZ-CG 4.48Å; F608-M698 HydrophobicContact CZ-SD 3.81Å; F608-I708 HydrophobicContact CE1-CD1 3.5Å; F608-I708 HydrophobicContact CZ-CD1 3.85Å
609	I	94	Very high	89.9	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.5	-45.5	179.7	-65	174.2	0	0	0	110.3	V469 F473 L476 L507 I571 I582 I605 W607 Q612 L613	V469-I609 HydrophobicContact CG1-CD1 3.94Å; F473-I609 HydrophobicContact CB-CG2 4.36Å; F473-I609 HydrophobicContact CD2-CG2 3.44Å; F473-I609 VanDerWaalsContact CD2-CG2 3.44Å; F473-I609 HydrophobicContact CE2-CG2 4.19Å; F473-I609 HydrophobicContact CG-CG2 4.35Å; L476-I609 HydrophobicContact CD1-CB 3.81Å; L476-I609 HydrophobicContact CD1-CG2 3.51Å; L507-I609 HydrophobicContact CD2-CD1 4Å; I571-I609 HydrophobicContact CD1-CG1 4.44Å; I582-I609 HydrophobicContact CD1-CG1 4.3Å; I605-I609 HydrophobicContact CG2-CD1 3.75Å; I605-I609 HydrophobicContact CG2-CG1 4.3Å; I605-I609 WeakPolarHBondContact O-CG1 3.15Å; I605-I609 PolarHBondContact O-N 3.43Å; W607-I609 VanDerWaalsContact C-N 3.35Å; W607-I609 PolarHBondContact O-N 3.45Å; I609-Q612 PolarHBondContact O-N 3.42Å; I609-L613 WeakPolarHBondContact O-CB 3.47Å; I609-L613 PolarHBondContact O-N 2.94Å
610	G	93.8	Very high	87.9	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.5	-46.9	177.6	0	0	0	0	0	112.2	G606 W607 Q612 L613 M614 G671	G606-G610 PolarHBondContact O-N 3.1Å; W607-G610 PolarHBondContact O-N 3.1Å; G610-Q612 PolarHBondContact O-N 3.09Å; G610-L613 PolarHBondContact O-N 3.29Å; G610-M614 WeakPolarHBondContact O-CB 3.39Å; G610-M614 WeakPolarHBondContact O-CG 3.49Å; G610-M614 PolarHBondContact O-N 3.4Å; G610-G671 VanDerWaalsContact C-CA 3.45Å
611	R	91.2	Very high	85.9	Confident	14 Å²	14	16.9 Å²	16.9	5%	0.053	8%	0.081	C	C	.	.	H	α-helix	trans	-55.6	-51.6	174.8	176.5	-156.3	178.9	133.2	7.2	110.8	W607 L613 M614 Y615 S664 A667 D668 Y719	W607-R611 VanDerWaalsContact O-CB 3.29Å; W607-R611 WeakPolarHBondContact O-CB 3.39Å; W607-R611 PolarHBondContact O-N 3.26Å; R611-L613 PolarHBondContact O-N 2.99Å; R611-M614 PolarHBondContact O-N 3.25Å; R611-Y615 VanDerWaalsContact O-CB 3.31Å; R611-Y615 WeakPolarHBondContact O-CB 3.37Å; R611-Y615 PolarHBondContact O-N 3.46Å; R611-S664 PolarHBondContact NH2-OG 3.43Å; R611-A667 WeakPolarHBondContact CA-O 3.41Å; R611-A667 HydrophobicContact CG-CB 3.87Å; R611-D668 WeakPolarHBondContact CD-OD1 3.23Å; R611-D668 WeakPolarHBondContact CG-OD1 3.28Å; R611-D668 VanDerWaalsContact CZ-CG 3.44Å; R611-D668 IonicContact CZ-OD1 2.95Å; R611-D668 IonicContact CZ-OD2 3.64Å; R611-D668 IonicContact NE-OD1 3.89Å; R611-D668 PolarHBondContact NE-OD1 3.03Å; R611-D668 VanDerWaalsContact NH1-CG 3.27Å; R611-D668 IonicContact NH1-OD1 2.76Å; R611-D668 PolarHBondContact NH1-OD1 3.17Å; R611-D668 IonicContact NH1-OD2 3.32Å; R611-D668 PolarHBondContact NH1-OD2 3.45Å; R611-D668 VanDerWaalsContact NH1-OD2 3.15Å; R611-D668 IonicContact NH2-OD1 2.79Å; R611-D668 IonicContact NH2-OD2 2.69Å; R611-D668 PolarHBondContact NH2-OD2 3.01Å; R611-Y719 PolarHBondContact NH1-OH 3.32Å
612	Q	90.8	Very high	83.7	Confident	3 Å²	3	17.3 Å²	17.3	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-65.4	-41.8	-177.4	-167.2	64.9	41	0	0	111.6	I571 I580 F608 I609 G610 M614 Y615 E616	I571-Q612 HydrophobicContact CD1-CB 3.71Å; I571-Q612 HydrophobicContact CD1-CG 4.28Å; I571-Q612 HydrophobicContact CG1-CB 4.03Å; I571-Q612 HydrophobicContact CG1-CG 4.08Å; I580-Q612 HydrophobicContact CD1-CB 4.42Å; I580-Q612 HydrophobicContact CD1-CG 4.22Å; I580-Q612 HydrophobicContact CG1-CG 4.15Å; I580-Q612 HydrophobicContact CG2-CB 4.3Å; I580-Q612 HydrophobicContact CG2-CG 3.9Å; F608-Q612 PolarHBondContact O-N 3.24Å; I609-Q612 PolarHBondContact O-N 3.42Å; G610-Q612 PolarHBondContact O-N 3.09Å; Q612-M614 PolarHBondContact O-N 3.23Å; Q612-Y615 WeakPolarHBondContact O-CB 3.46Å; Q612-Y615 PolarHBondContact O-N 2.91Å; Q612-E616 HydrophobicContact CG-CG 4.44Å; Q612-E616 PolarHBondContact NE2-OE1 3.45Å; Q612-E616 WeakPolarHBondContact O-CG 3.38Å; Q612-E616 PolarHBondContact O-N 2.97Å
613	L	91.1	Very high	81.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-45.6	177	-175.8	61.7	0	0	0	111.3	F473 K477 L480 F505 I580 I609 G610 R611 Y615 E616 V617 L674	F473-L613 HydrophobicContact CE2-CD1 4.38Å; F473-L613 HydrophobicContact CE2-CD2 4.5Å; K477-L613 HydrophobicContact CG-CD2 3.94Å; L480-L613 HydrophobicContact CD2-CD2 3.77Å; L480-L613 HydrophobicContact CD2-CG 3.91Å; F505-L613 HydrophobicContact CB-CD1 4.17Å; F505-L613 HydrophobicContact CD2-CD1 3.98Å; F505-L613 HydrophobicContact CG-CD1 4.18Å; I580-L613 HydrophobicContact CD1-CB 4.07Å; I580-L613 HydrophobicContact CD1-CD1 4.04Å; I609-L613 WeakPolarHBondContact O-CB 3.47Å; I609-L613 PolarHBondContact O-N 2.94Å; G610-L613 PolarHBondContact O-N 3.29Å; R611-L613 PolarHBondContact O-N 2.99Å; L613-Y615 VanDerWaalsContact C-N 3.31Å; L613-Y615 PolarHBondContact O-N 3.3Å; L613-E616 PolarHBondContact O-N 3Å; L613-V617 HydrophobicContact CD1-CG2 4.16Å; L613-V617 WeakPolarHBondContact O-CB 3.37Å; L613-V617 VanDerWaalsContact O-CG2 3.22Å; L613-V617 WeakPolarHBondContact O-CG2 3.36Å; L613-V617 PolarHBondContact O-N 3.5Å; L613-L674 HydrophobicContact CD2-CD2 4.26Å
614	M	89.3	Confident	78.6	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-40.6	175	-72.6	-57.3	-58	0	0	112.1	L480 G610 R611 Q612 N618 N670 L674 L753 W754	L480-M614 HydrophobicContact CD1-SD 4.17Å; G610-M614 WeakPolarHBondContact O-CB 3.39Å; G610-M614 WeakPolarHBondContact O-CG 3.49Å; G610-M614 PolarHBondContact O-N 3.4Å; R611-M614 PolarHBondContact O-N 3.25Å; Q612-M614 PolarHBondContact O-N 3.23Å; M614-N618 WeakPolarHBondContact O-CB 3.1Å; M614-N618 VanDerWaalsContact O-CG 3.3Å; M614-N618 PolarHBondContact O-N 3.39Å; M614-N618 PolarHBondContact O-ND2 3.03Å; M614-N670 HydrophobicContact CE-CB 3.44Å; M614-N670 VanDerWaalsContact CE-CB 3.44Å; M614-N670 HydrophobicContact CG-CB 4.05Å; M614-N670 HydrophobicContact SD-CB 4.33Å; M614-L674 HydrophobicContact CG-CD2 4.34Å; M614-L674 HydrophobicContact SD-CD2 4.29Å; M614-L753 HydrophobicContact CE-CD1 4.13Å; M614-W754 HydrophobicContact CE-CE3 3.76Å; M614-W754 HydrophobicContact CE-CH2 3.24Å; M614-W754 HydrophobicContact CE-CZ2 4.07Å; M614-W754 HydrophobicContact CE-CZ3 3.05Å; M614-W754 HydrophobicContact SD-CE3 4.42Å; M614-W754 HydrophobicContact SD-CH2 3.7Å; M614-W754 HydrophobicContact SD-CZ3 3.37Å; M614-W754 WeakPolarHBondContact SD-CZ3 3.2Å
615	Y	86.5	Confident	76	Confident	13 Å²	13	40.7 Å²	40.7	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-51	178.4	-170.8	-88.9	0	0	0	111.6	R611 Q612 L613 N618 N619 R663 A667 L712	R611-Y615 VanDerWaalsContact O-CB 3.31Å; R611-Y615 WeakPolarHBondContact O-CB 3.37Å; R611-Y615 PolarHBondContact O-N 3.46Å; Q612-Y615 WeakPolarHBondContact O-CB 3.46Å; Q612-Y615 PolarHBondContact O-N 2.91Å; L613-Y615 VanDerWaalsContact C-N 3.31Å; L613-Y615 PolarHBondContact O-N 3.3Å; Y615-N618 PolarHBondContact O-N 3.41Å; Y615-N619 WeakPolarHBondContact CE1-ND2 3.16Å; Y615-N619 WeakPolarHBondContact O-CB 3.4Å; Y615-N619 PolarHBondContact O-N 3.19Å; Y615-N619 VanDerWaalsContact O-N 3.1Å; Y615-N619 PolarHBondContact OH-ND2 3.34Å; Y615-R663 HydrophobicContact CE2-CB 4.44Å; Y615-A667 HydrophobicContact CD2-CB 3.81Å; Y615-A667 HydrophobicContact CG-CB 4.33Å; Y615-L712 HydrophobicContact CD1-CD1 4.38Å; Y615-L712 HydrophobicContact CD2-CD1 4.48Å; Y615-L712 HydrophobicContact CE1-CD1 3.55Å; Y615-L712 HydrophobicContact CE1-CD2 3.57Å; Y615-L712 HydrophobicContact CE1-CG 4.03Å; Y615-L712 HydrophobicContact CE2-CD1 3.67Å; Y615-L712 WeakPolarHBondContact OH-CD1 3.25Å; Y615-L712 WeakPolarHBondContact OH-CD2 3.19Å
616	E	85.4	Confident	73.4	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.065	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-37.8	-178	-62.6	-57.9	139	0	0	113.3	F505 G573 A575 Q612 L613 N618	F505-E616 HydrophobicContact CE1-CB 3.74Å; F505-E616 HydrophobicContact CE1-CG 4.06Å; F505-E616 HydrophobicContact CE2-CB 4.12Å; F505-E616 HydrophobicContact CZ-CB 3.41Å; F505-E616 VanDerWaalsContact CZ-CB 3.41Å; F505-E616 HydrophobicContact CZ-CG 4.24Å; G573-E616 VanDerWaalsContact CA-CD 3.49Å; G573-E616 WeakPolarHBondContact CA-OE1 3.37Å; A575-E616 PolarHBondContact N-OE2 3.48Å; Q612-E616 HydrophobicContact CG-CG 4.44Å; Q612-E616 PolarHBondContact NE2-OE1 3.45Å; Q612-E616 WeakPolarHBondContact O-CG 3.38Å; Q612-E616 PolarHBondContact O-N 2.97Å; L613-E616 PolarHBondContact O-N 3Å; E616-N618 VanDerWaalsContact C-N 3.29Å; E616-N618 PolarHBondContact O-N 3.06Å
617	V	85.7	Confident	70.5	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-33.4	179.9	170.5	0	0	0	0	111.4	L480 Y498 L501 A502 F505 L613 W754	L480-V617 HydrophobicContact CD2-CG2 4.41Å; Y498-V617 HydrophobicContact CD1-CG1 3.93Å; L501-V617 HydrophobicContact CD2-CG1 4.4Å; A502-V617 HydrophobicContact CB-CG2 4.21Å; F505-V617 HydrophobicContact CD2-CG2 4.31Å; F505-V617 HydrophobicContact CE2-CG2 3.95Å; L613-V617 HydrophobicContact CD1-CG2 4.16Å; L613-V617 WeakPolarHBondContact O-CB 3.37Å; L613-V617 VanDerWaalsContact O-CG2 3.22Å; L613-V617 WeakPolarHBondContact O-CG2 3.36Å; L613-V617 PolarHBondContact O-N 3.5Å; V617-W754 HydrophobicContact CG1-CH2 4.34Å
618	N	79.1	Confident	67.8	Low	15 Å²	15	60.3 Å²	60.3	8%	0.08	31%	0.314	C	S	.	.	H	α-helix	trans	-88.6	-23.9	-177.8	-68.8	-37.5	0	0	0	114.2	M614 Y615 E616 N620 L753 W754	M614-N618 WeakPolarHBondContact O-CB 3.1Å; M614-N618 VanDerWaalsContact O-CG 3.3Å; M614-N618 PolarHBondContact O-N 3.39Å; M614-N618 PolarHBondContact O-ND2 3.03Å; Y615-N618 PolarHBondContact O-N 3.41Å; E616-N618 VanDerWaalsContact C-N 3.29Å; E616-N618 PolarHBondContact O-N 3.06Å; N618-N620 VanDerWaalsContact C-N 3.31Å; N618-N620 PolarHBondContact O-N 3.02Å; N618-L753 WeakPolarHBondContact ND2-CD1 3.29Å; N618-W754 VanDerWaalsContact OD1-CZ2 3.22Å; N618-W754 WeakPolarHBondContact OD1-CZ2 3.19Å
619	N	66.5	Low	65.8	Low	46 Å²	46	63.6 Å²	63.6	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-73.6	-15.8	-176.2	-98.1	14.3	0	0	0	115.3	Y615 K621	Y615-N619 WeakPolarHBondContact CE1-ND2 3.16Å; Y615-N619 WeakPolarHBondContact O-CB 3.4Å; Y615-N619 PolarHBondContact O-N 3.19Å; Y615-N619 VanDerWaalsContact O-N 3.1Å; Y615-N619 PolarHBondContact OH-ND2 3.34Å; N619-K621 PolarHBondContact O-N 3.47Å
620	N	52.9	Low	63.5	Low	83 Å²	83	72 Å²	72	44%	0.444	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	19.3	-168.5	-92.8	-19.9	0	0	0	116.9	L501 A575 N618	L501-N620 WeakPolarHBondContact CD1-ND2 3.45Å; L501-N620 HydrophobicContact CD2-CB 4.28Å; L501-N620 WeakPolarHBondContact CD2-ND2 3Å; A575-N620 WeakPolarHBondContact CB-OD1 3.42Å; N618-N620 VanDerWaalsContact C-N 3.31Å; N618-N620 PolarHBondContact O-N 3.02Å
621	K	50.5	Low	61.4	Low	120 Å²	120	76.5 Å²	76.5	52%	0.522	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-3.1	-177.4	-70.1	-174	175.9	172.1	0	116.2	Y498 N619 T639	Y498-K621 PolarHBondContact OH-NZ 2.65Å; N619-K621 PolarHBondContact O-N 3.47Å; K621-T639 HydrophobicContact CB-CG2 4.44Å; K621-T639 HydrophobicContact CD-CG2 4.08Å
622	E	49.3	Very low	59.8	Low	36 Å²	36	77 Å²	77	17%	0.168	41%	0.413	C	S	.	.			trans	-125	5.1	-160.3	-68.3	-167.2	-155.8	0	0	118.2	D624 E642 K659 R663	E622-D624 VanDerWaalsContact C-N 3.25Å; E622-D624 PolarHBondContact O-N 3.37Å; E622-E642 WeakPolarHBondContact OE1-CG 3.42Å; E622-K659 IonicContact OE1-NZ 3.59Å; E622-K659 WeakPolarHBondContact OE2-CE 3.33Å; E622-K659 IonicContact OE2-NZ 3.42Å; E622-K659 PolarHBondContact OE2-NZ 2.95Å; E622-R663 IonicContact OE2-CZ 2.79Å; E622-R663 IonicContact OE2-NE 3.53Å; E622-R663 IonicContact OE2-NH2 3.81Å; E622-R663 PolarHBondContact OE2-NH2 3.41Å
623	E	43.5	Very low	58.5	Low	192 Å²	192	79 Å²	79	90%	0.897	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.4	178	-73.7	-168.1	160.2	0	0	114.7
624	D	37.8	Very low	56.8	Low	159 Å²	159	87.1 Å²	87.1	85%	0.85	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.4	-173.4	-81.5	-21.3	0	0	0	116.3	E622	E622-D624 VanDerWaalsContact C-N 3.25Å; E622-D624 PolarHBondContact O-N 3.37Å
625	N	36.6	Very low	55.5	Low	149 Å²	149	89.2 Å²	89.2	80%	0.797	48%	0.482	S	S	*	.			trans	-128.1	92.9	-176.2	-83.5	-31.6	0	0	0	114.3	G627	N625-G627 PolarHBondContact O-N 3.5Å
626	H	37.1	Very low	54.4	Low	206 Å²	206	98.6 Å²	98.6	95%	0.954	53%	0.526	S	S	*	.			trans	-69.7	36.4	165.5	-78.5	-56.7	0	0	0	114
627	G	34.8	Very low	53.4	Low	59 Å²	59	106.3 Å²	106.3	61%	0.608	56%	0.562	S	S	*	*			trans	-85	143.2	179.6	0	0	0	0	0	113.4	N625 S629	N625-G627 PolarHBondContact O-N 3.5Å; G627-S629 PolarHBondContact O-N 2.95Å
628	N	36.5	Very low	52.2	Low	149 Å²	149	107.5 Å²	107.5	80%	0.797	57%	0.573	S	S	*	*			trans	-56.7	129.2	-175.4	-151.5	10.8	0	0	0	112.7	Q630 S631	N628-Q630 VanDerWaalsContact C-N 3.29Å; N628-Q630 PolarHBondContact O-N 3.5Å; N628-S631 PolarHBondContact O-OG 3.41Å
629	S	49.5	Very low	51.9	Low	72 Å²	72	108.1 Å²	108.1	50%	0.503	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	5	-155.2	72.5	0	0	0	0	117.8	G627	G627-S629 PolarHBondContact O-N 2.95Å
630	Q	45.7	Very low	52.2	Low	176 Å²	176	107.9 Å²	107.9	82%	0.822	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-18.5	-173.4	-131.9	167.7	-13.1	0	0	113.6	N628	N628-Q630 VanDerWaalsContact C-N 3.29Å; N628-Q630 PolarHBondContact O-N 3.5Å
631	S	48.7	Very low	53.1	Low	95 Å²	95	104.2 Å²	104.2	66%	0.664	56%	0.557	S	S	*	*	S	Bend	trans	-82.9	-15.8	178.9	57.8	0	0	0	0	114.1	N628	N628-S631 PolarHBondContact O-OG 3.41Å
632	S	58.2	Low	54.4	Low	24 Å²	24	99.7 Å²	99.7	17%	0.168	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-73.7	-34	-177.8	158.6	0	0	0	0	112.4	M634 S635 A638 E642	S632-M634 PolarHBondContact O-N 3.27Å; S632-S635 PolarHBondContact O-N 3.35Å; S632-S635 PolarHBondContact O-OG 3.36Å; S632-A638 WeakPolarHBondContact O-CB 3.14Å; S632-E642 PolarHBondContact OG-OE1 2.85Å; S632-E642 PolarHBondContact OG-OE2 3.05Å
633	C	64.3	Low	55.9	Low	45 Å²	45	100.7 Å²	100.7	30%	0.304	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-63.5	-13.3	-176.5	-69.3	0	0	0	0	116.5	C646	C633-C646 WeakPolarHBondContact CA-SG 3.46Å; C633-C646 HydrophobicContact CB-CB 3.61Å; C633-C646 WeakPolarHBondContact CB-SG 3.45Å; C633-C646 WeakPolarHBondContact SG-CB 3.47Å; C633-C646 CovalentContact SG-SG 2.02Å; C633-C646 PolarHBondContact SG-SG 3.28Å
634	M	54.9	Low	57.9	Low	172 Å²	172	91.9 Å²	91.9	85%	0.847	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-126.4	12.3	-177.6	-62.3	-154.3	162.8	0	0	113.1	S632	S632-M634 PolarHBondContact O-N 3.27Å
635	S	62.8	Low	60.2	Low	46 Å²	46	84.4 Å²	84.4	32%	0.322	47%	0.47	S	S	.	.			trans	-83.5	142.9	174.2	70.9	0	0	0	0	110.6	S632 E637 A638	S632-S635 PolarHBondContact O-N 3.35Å; S632-S635 PolarHBondContact O-OG 3.36Å; S635-E637 PolarHBondContact O-N 2.92Å; S635-E637 VanDerWaalsContact O-N 3.13Å; S635-A638 WeakPolarHBondContact O-CB 3.46Å; S635-A638 PolarHBondContact O-N 3.11Å; S635-A638 PolarHBondContact OG-N 3.33Å
636	E	63.2	Low	62.5	Low	210 Å²	210	77.8 Å²	77.8	98%	0.981	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.5	166.9	-67.2	-177.1	173.1	0	0	112.2
637	E	63.6	Low	65	Low	176 Å²	176	69.8 Å²	69.8	82%	0.822	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-4.1	-179.7	-61.4	178.4	170.8	0	0	113	S635 T639	S635-E637 PolarHBondContact O-N 2.92Å; S635-E637 VanDerWaalsContact O-N 3.13Å; E637-T639 PolarHBondContact O-N 3.02Å
638	A	61.9	Low	67.6	Low	28 Å²	28	67 Å²	67	23%	0.231	37%	0.374	C	S	.	.			trans	-61.4	134	-177.4	0	0	0	0	0	110.7	S632 S635 E642	S632-A638 WeakPolarHBondContact O-CB 3.14Å; S635-A638 WeakPolarHBondContact O-CB 3.46Å; S635-A638 PolarHBondContact O-N 3.11Å; S635-A638 PolarHBondContact OG-N 3.33Å; A638-E642 WeakPolarHBondContact CA-OE2 3.44Å; A638-E642 HydrophobicContact CB-CB 4.2Å
639	T	71.1	Confident	70	Confident	27 Å²	27	62.2 Å²	62.2	17%	0.166	35%	0.346	C	S	.	.			trans	-70.3	159.7	173.7	77.1	0	0	0	0	110.5	K621 E637 S641 E642 A643	K621-T639 HydrophobicContact CB-CG2 4.44Å; K621-T639 HydrophobicContact CD-CG2 4.08Å; E637-T639 PolarHBondContact O-N 3.02Å; T639-S641 PolarHBondContact O-N 3.02Å; T639-E642 PolarHBondContact N-OE2 2.69Å; T639-E642 CarbonylContact O-C 3.53Å; T639-E642 WeakPolarHBondContact O-CA 3.36Å; T639-E642 WeakPolarHBondContact O-CB 3.48Å; T639-E642 PolarHBondContact O-N 2.85Å; T639-E642 WeakPolarHBondContact OG1-CG 3.47Å; T639-E642 PolarHBondContact OG1-N 3.07Å; T639-A643 PolarHBondContact O-N 2.82Å
640	D	72.7	Confident	71.8	Confident	42 Å²	42	65.9 Å²	65.9	23%	0.225	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-34.1	177.2	-47.5	-44.9	0	0	0	112	W489 E642 A643 Q644 L753	W489-D640 HydrophobicContact CH2-CB 4.09Å; W489-D640 WeakPolarHBondContact CH2-OD1 3.49Å; W489-D640 VanDerWaalsContact CH2-OD2 3.22Å; W489-D640 WeakPolarHBondContact CH2-OD2 3.45Å; W489-D640 VanDerWaalsContact CZ3-CG 3.43Å; W489-D640 WeakPolarHBondContact CZ3-OD1 3.49Å; W489-D640 WeakPolarHBondContact CZ3-OD2 3.32Å; D640-E642 VanDerWaalsContact C-N 3.3Å; D640-E642 PolarHBondContact O-N 3.49Å; D640-A643 PolarHBondContact O-N 2.9Å; D640-Q644 PolarHBondContact O-N 3.23Å; D640-L753 VanDerWaalsContact C-CD2 3.45Å; D640-L753 HydrophobicContact CB-CD2 4Å; D640-L753 VanDerWaalsContact O-CD2 3.22Å; D640-L753 WeakPolarHBondContact O-CD2 3.28Å
641	S	73.5	Confident	73.8	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-41.3	171.6	-169	0	0	0	0	111.4	T639 I645	T639-S641 PolarHBondContact O-N 3.02Å; S641-I645 WeakPolarHBondContact O-CB 3.38Å; S641-I645 VanDerWaalsContact O-CD1 3.28Å; S641-I645 WeakPolarHBondContact O-CD1 3.33Å; S641-I645 WeakPolarHBondContact O-CG1 3.45Å; S641-I645 PolarHBondContact O-N 3.35Å
642	E	77.1	Confident	75.4	Confident	25 Å²	25	61.4 Å²	61.4	12%	0.117	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-44	176.2	-65.3	-179.7	129.9	0	0	111	E622 S632 A638 T639 D640 Q644 I645 C646 K659	E622-E642 WeakPolarHBondContact OE1-CG 3.42Å; S632-E642 PolarHBondContact OG-OE1 2.85Å; S632-E642 PolarHBondContact OG-OE2 3.05Å; A638-E642 WeakPolarHBondContact CA-OE2 3.44Å; A638-E642 HydrophobicContact CB-CB 4.2Å; T639-E642 PolarHBondContact N-OE2 2.69Å; T639-E642 CarbonylContact O-C 3.53Å; T639-E642 WeakPolarHBondContact O-CA 3.36Å; T639-E642 WeakPolarHBondContact O-CB 3.48Å; T639-E642 PolarHBondContact O-N 2.85Å; T639-E642 WeakPolarHBondContact OG1-CG 3.47Å; T639-E642 PolarHBondContact OG1-N 3.07Å; D640-E642 VanDerWaalsContact C-N 3.3Å; D640-E642 PolarHBondContact O-N 3.49Å; E642-Q644 VanDerWaalsContact C-N 3.33Å; E642-Q644 PolarHBondContact O-N 2.95Å; E642-I645 WeakPolarHBondContact O-CB 3.33Å; E642-I645 PolarHBondContact O-N 3.31Å; E642-I645 VanDerWaalsContact O-N 3.13Å; E642-C646 WeakPolarHBondContact O-CB 3Å; E642-C646 PolarHBondContact O-N 2.58Å; E642-C646 PolarHBondContact O-SG 2.98Å; E642-K659 IonicContact OE1-NZ 2.67Å; E642-K659 PolarHBondContact OE1-NZ 3.07Å
643	A	80.8	Confident	76.6	Confident	56 Å²	56	63.5 Å²	63.5	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-43.9	176	0	0	0	0	0	112.3	T639 D640 C646 C647	T639-A643 PolarHBondContact O-N 2.82Å; D640-A643 PolarHBondContact O-N 2.9Å; A643-C646 PolarHBondContact O-N 2.84Å; A643-C647 PolarHBondContact O-N 3.48Å
644	Q	85.2	Confident	77.6	Confident	7 Å²	7	61.4 Å²	61.4	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-65.9	-42.2	175.2	-163.7	-160.7	22.4	0	0	111.8	D640 E642 C646 C647 L648 S666 N670 C751 L753	D640-Q644 PolarHBondContact O-N 3.23Å; E642-Q644 VanDerWaalsContact C-N 3.33Å; E642-Q644 PolarHBondContact O-N 2.95Å; Q644-C646 PolarHBondContact O-N 3.39Å; Q644-C647 WeakPolarHBondContact O-CB 3.44Å; Q644-C647 PolarHBondContact O-N 3.34Å; Q644-L648 WeakPolarHBondContact O-CG 3.34Å; Q644-L648 PolarHBondContact O-N 2.88Å; Q644-S666 PolarHBondContact OE1-OG 3.41Å; Q644-N670 PolarHBondContact NE2-ND2 2.69Å; Q644-N670 PolarHBondContact OE1-ND2 2.93Å; Q644-C751 HydrophobicContact CG-CB 4.14Å; Q644-C751 PolarHBondContact NE2-O 3.05Å; Q644-L753 HydrophobicContact CB-CD2 3.9Å; Q644-L753 HydrophobicContact CB-CG 4.11Å; Q644-L753 HydrophobicContact CG-CG 4.37Å
645	I	85.6	Confident	78.9	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-57.4	-42.5	175.3	-71.3	162	0	0	0	110.1	S641 E642 L648 Q649 K659 L662 R663	S641-I645 WeakPolarHBondContact O-CB 3.38Å; S641-I645 VanDerWaalsContact O-CD1 3.28Å; S641-I645 WeakPolarHBondContact O-CD1 3.33Å; S641-I645 WeakPolarHBondContact O-CG1 3.45Å; S641-I645 PolarHBondContact O-N 3.35Å; E642-I645 WeakPolarHBondContact O-CB 3.33Å; E642-I645 PolarHBondContact O-N 3.31Å; E642-I645 VanDerWaalsContact O-N 3.13Å; I645-L648 WeakPolarHBondContact O-CB 3.45Å; I645-L648 PolarHBondContact O-N 3.22Å; I645-Q649 HydrophobicContact CG2-CG 4.42Å; I645-Q649 WeakPolarHBondContact O-CG 3.23Å; I645-Q649 PolarHBondContact O-N 2.78Å; I645-K659 HydrophobicContact CD1-CG 4.18Å; I645-K659 HydrophobicContact CG2-CG 4.33Å; I645-L662 HydrophobicContact CG1-CB 4.45Å; I645-L662 HydrophobicContact CG2-CB 4.06Å; I645-L662 HydrophobicContact CG2-CD1 3.97Å; I645-R663 HydrophobicContact CD1-CG 3.51Å; I645-R663 HydrophobicContact CG1-CG 4.41Å
646	C	86.1	Confident	79.8	Confident	10 Å²	10	65.2 Å²	65.2	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-43.3	178.7	-60.5	0	0	0	0	112	C633 E642 A643 Q644 L648 Q649 E650	C633-C646 WeakPolarHBondContact CA-SG 3.46Å; C633-C646 HydrophobicContact CB-CB 3.61Å; C633-C646 WeakPolarHBondContact CB-SG 3.45Å; C633-C646 WeakPolarHBondContact SG-CB 3.47Å; C633-C646 CovalentContact SG-SG 2.02Å; C633-C646 PolarHBondContact SG-SG 3.28Å; E642-C646 WeakPolarHBondContact O-CB 3Å; E642-C646 PolarHBondContact O-N 2.58Å; E642-C646 PolarHBondContact O-SG 2.98Å; A643-C646 PolarHBondContact O-N 2.84Å; Q644-C646 PolarHBondContact O-N 3.39Å; C646-L648 PolarHBondContact O-N 3.4Å; C646-Q649 WeakPolarHBondContact O-CB 3.44Å; C646-Q649 PolarHBondContact O-N 2.82Å; C646-Q649 VanDerWaalsContact O-N 3.08Å; C646-E650 WeakPolarHBondContact O-CG 3.4Å; C646-E650 PolarHBondContact O-N 3.06Å
647	C	89.6	Confident	80.7	Confident	39 Å²	39	58 Å²	58	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-55.4	-42.2	171	178.4	0	0	0	0	111.7	A643 Q644 E650 C751	A643-C647 PolarHBondContact O-N 3.48Å; Q644-C647 WeakPolarHBondContact O-CB 3.44Å; Q644-C647 PolarHBondContact O-N 3.34Å; C647-E650 PolarHBondContact O-N 3.01Å; C647-C751 HydrophobicContact CB-CB 3.71Å; C647-C751 WeakPolarHBondContact CB-SG 3.48Å; C647-C751 PolarHBondContact O-SG 3.38Å; C647-C751 WeakPolarHBondContact SG-CA 3.42Å; C647-C751 WeakPolarHBondContact SG-CB 3.37Å; C647-C751 CovalentContact SG-SG 2.04Å; C647-C751 PolarHBondContact SG-SG 2.88Å
648	L	89	Confident	81.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-44.4	175.8	-68.4	169.1	0	0	0	110.9	Q644 I645 C646 E650 Q651 F654 L662 L665 I669 C751	Q644-L648 WeakPolarHBondContact O-CG 3.34Å; Q644-L648 PolarHBondContact O-N 2.88Å; I645-L648 WeakPolarHBondContact O-CB 3.45Å; I645-L648 PolarHBondContact O-N 3.22Å; C646-L648 PolarHBondContact O-N 3.4Å; L648-E650 PolarHBondContact O-N 3Å; L648-Q651 WeakPolarHBondContact O-CB 3.42Å; L648-Q651 PolarHBondContact O-N 2.93Å; L648-F654 HydrophobicContact CB-CD2 4.3Å; L648-F654 HydrophobicContact CD2-CD2 4.03Å; L648-F654 HydrophobicContact CD2-CE2 3.96Å; L648-F654 WeakPolarHBondContact O-CB 3.49Å; L648-L662 HydrophobicContact CB-CD2 4.28Å; L648-L665 HydrophobicContact CD1-CD2 4.22Å; L648-L665 HydrophobicContact CD1-CG 4.32Å; L648-L665 HydrophobicContact CD2-CD2 4.09Å; L648-I669 HydrophobicContact CD1-CD1 4.44Å; L648-I669 HydrophobicContact CD2-CD1 3.93Å; L648-C751 HydrophobicContact CD2-CB 3.75Å; L648-C751 HydrophobicContact CG-CB 3.93Å; L648-C751 PolarHBondContact N-SG 3.43Å
649	Q	87.2	Confident	82.3	Confident	48 Å²	48	54.7 Å²	54.7	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-27.1	178.6	-72.6	179.3	-50	0	0	114.1	I645 C646 Q651 L662	I645-Q649 HydrophobicContact CG2-CG 4.42Å; I645-Q649 WeakPolarHBondContact O-CG 3.23Å; I645-Q649 PolarHBondContact O-N 2.78Å; C646-Q649 WeakPolarHBondContact O-CB 3.44Å; C646-Q649 PolarHBondContact O-N 2.82Å; C646-Q649 VanDerWaalsContact O-N 3.08Å; Q649-Q651 PolarHBondContact O-N 3.31Å; Q649-L662 HydrophobicContact CG-CD1 3.22Å
650	E	87	Confident	82.6	Confident	149 Å²	149	56.2 Å²	56.2	70%	0.696	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.6	174.8	-72.6	179.5	176.9	0	0	112.9	C646 C647 L648	C646-E650 WeakPolarHBondContact O-CG 3.4Å; C646-E650 PolarHBondContact O-N 3.06Å; C647-E650 PolarHBondContact O-N 3.01Å; L648-E650 PolarHBondContact O-N 3Å
651	Q	87	Confident	82.9	Confident	29 Å²	29	54.8 Å²	54.8	14%	0.136	29%	0.291	C	S	.	.	S	Bend	trans	-79.8	130.9	175	-52	-161.5	-2.3	0	0	110.7	L648 Q649 S653 F654 K655 H729 N749 C751	L648-Q651 WeakPolarHBondContact O-CB 3.42Å; L648-Q651 PolarHBondContact O-N 2.93Å; Q649-Q651 PolarHBondContact O-N 3.31Å; Q651-S653 PolarHBondContact O-N 2.81Å; Q651-F654 HydrophobicContact CB-CD2 3.97Å; Q651-F654 HydrophobicContact CG-CD2 4.47Å; Q651-F654 PolarHBondContact O-N 2.93Å; Q651-K655 PolarHBondContact O-N 3.2Å; Q651-H729 PolarHBondContact NE2-CE1 3.28Å; Q651-N749 PolarHBondContact NE2-O 2.71Å; Q651-N749 VanDerWaalsContact NE2-O 3.11Å; Q651-C751 PolarHBondContact NE2-SG 3.36Å; Q651-C751 VanDerWaalsContact NE2-SG 3.45Å
652	D	83.3	Confident	83.4	Confident	148 Å²	148	54.5 Å²	54.5	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32	-179.7	-72.2	-33.5	0	0	0	113.2	F654	D652-F654 PolarHBondContact O-N 2.94Å
653	S	82.4	Confident	83.7	Confident	69 Å²	69	55.8 Å²	55.8	48%	0.483	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.9	177.6	-51.6	0	0	0	0	114.4	Q651 Y657	Q651-S653 PolarHBondContact O-N 2.81Å; S653-Y657 WeakPolarHBondContact O-CE2 3.38Å
654	F	85.7	Confident	83.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-0.1	-168.9	-55.3	-46.6	0	0	0	114.2	L648 Q651 D652 D656 Y657 L662 L665 F721 E725 K728	L648-F654 HydrophobicContact CB-CD2 4.3Å; L648-F654 HydrophobicContact CD2-CD2 4.03Å; L648-F654 HydrophobicContact CD2-CE2 3.96Å; L648-F654 WeakPolarHBondContact O-CB 3.49Å; Q651-F654 HydrophobicContact CB-CD2 3.97Å; Q651-F654 HydrophobicContact CG-CD2 4.47Å; Q651-F654 PolarHBondContact O-N 2.93Å; D652-F654 PolarHBondContact O-N 2.94Å; F654-D656 VanDerWaalsContact C-N 3.26Å; F654-D656 PolarHBondContact O-N 2.82Å; F654-Y657 HydrophobicContact CB-CD2 4.47Å; F654-Y657 HydrophobicContact CD1-CD2 4.44Å; F654-Y657 HydrophobicContact CD1-CE2 4.4Å; F654-Y657 WeakPolarHBondContact O-CB 3.47Å; F654-Y657 PolarHBondContact O-N 2.98Å; F654-Y657 VanDerWaalsContact O-N 3.11Å; F654-L662 HydrophobicContact CB-CD2 3.94Å; F654-L665 HydrophobicContact CD1-CD2 4Å; F654-L665 HydrophobicContact CD2-CD2 4.19Å; F654-L665 HydrophobicContact CE1-CD2 3.67Å; F654-L665 HydrophobicContact CE2-CD2 3.86Å; F654-L665 HydrophobicContact CG-CD2 4.26Å; F654-L665 HydrophobicContact CZ-CD2 3.59Å; F654-F721 HydrophobicContact CD1-CD1 4.1Å; F654-F721 AromaticContact CD1-CE1 3.82Å; F654-F721 HydrophobicContact CD1-CE1 3.82Å; F654-F721 AromaticContact CE1-CD1 3.74Å; F654-F721 HydrophobicContact CE1-CD1 3.74Å; F654-F721 AromaticContact CE1-CE1 3.94Å; F654-F721 HydrophobicContact CE1-CE1 3.94Å; F654-E725 HydrophobicContact CE1-CB 4.1Å; F654-E725 HydrophobicContact CE1-CG 3.82Å; F654-E725 WeakPolarHBondContact CE1-OE1 3.46Å; F654-E725 HydrophobicContact CZ-CB 3.82Å; F654-E725 HydrophobicContact CZ-CG 3.77Å; F654-K728 VanDerWaalsContact CE2-NZ 3.32Å
655	K	82.2	Confident	83.8	Confident	138 Å²	138	54 Å²	54	60%	0.6	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.6	-174	-169.1	174.8	-175.3	171.9	0	114.5	Q651	Q651-K655 PolarHBondContact O-N 3.2Å
656	D	82.7	Confident	83.9	Confident	160 Å²	160	54.1 Å²	54.1	86%	0.856	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.7	-176.9	-63.9	-35.2	0	0	0	113.9	F654	F654-D656 VanDerWaalsContact C-N 3.26Å; F654-D656 PolarHBondContact O-N 2.82Å
657	Y	80.3	Confident	84	Confident	60 Å²	60	53.7 Å²	53.7	24%	0.235	28%	0.276	C	S	.	.			trans	-82.1	143.4	178.5	-77.1	-97.1	0	0	0	111.9	S653 F654 D661 K720 F721	S653-Y657 WeakPolarHBondContact O-CE2 3.38Å; F654-Y657 HydrophobicContact CB-CD2 4.47Å; F654-Y657 HydrophobicContact CD1-CD2 4.44Å; F654-Y657 HydrophobicContact CD1-CE2 4.4Å; F654-Y657 WeakPolarHBondContact O-CB 3.47Å; F654-Y657 PolarHBondContact O-N 2.98Å; F654-Y657 VanDerWaalsContact O-N 3.11Å; Y657-D661 HydrophobicContact CD1-CB 3.81Å; Y657-K720 HydrophobicContact CD1-CD 4.15Å; Y657-K720 HydrophobicContact CE1-CB 3.66Å; Y657-K720 HydrophobicContact CE1-CD 3.68Å; Y657-K720 HydrophobicContact CE1-CG 4.29Å; Y657-K720 PolarHBondContact OH-O 3.22Å; Y657-F721 AromaticContact CD1-CE1 3.65Å; Y657-F721 HydrophobicContact CD1-CE1 3.65Å; Y657-F721 AromaticContact CD1-CZ 3.53Å; Y657-F721 HydrophobicContact CD1-CZ 3.53Å; Y657-F721 HydrophobicContact CD2-CE1 4.27Å; Y657-F721 HydrophobicContact CE1-CD1 4.28Å; Y657-F721 AromaticContact CE1-CE1 3.44Å; Y657-F721 HydrophobicContact CE1-CE1 3.44Å; Y657-F721 VanDerWaalsContact CE1-CE1 3.44Å; Y657-F721 AromaticContact CE1-CZ 3.64Å; Y657-F721 HydrophobicContact CE1-CZ 3.64Å; Y657-F721 HydrophobicContact CE2-CE1 4.08Å; Y657-F721 HydrophobicContact CG-CE1 4.04Å; Y657-F721 HydrophobicContact CG-CZ 4.14Å; Y657-F721 AromaticContact CZ-CE1 3.67Å
658	N	81.1	Confident	84	Confident	81 Å²	81	52 Å²	52	43%	0.433	26%	0.264	S	S	.	.			trans	-75.9	162.6	176.9	68.1	50.9	0	0	0	111.7	T660 D661 L662	N658-T660 PolarHBondContact O-N 3.45Å; N658-T660 WeakPolarHBondContact OD1-CA 3.5Å; N658-T660 WeakPolarHBondContact OD1-CB 3.36Å; N658-T660 PolarHBondContact OD1-N 3.46Å; N658-T660 VanDerWaalsContact OD1-N 3.07Å; N658-D661 VanDerWaalsContact CG-OD2 3.3Å; N658-D661 PolarHBondContact ND2-OD2 2.72Å; N658-D661 PolarHBondContact O-N 2.79Å; N658-D661 VanDerWaalsContact O-N 3.17Å; N658-D661 VanDerWaalsContact OD1-CG 3.31Å; N658-D661 PolarHBondContact OD1-N 3.46Å; N658-D661 PolarHBondContact OD1-OD2 3.16Å; N658-L662 WeakPolarHBondContact O-CG 3.11Å; N658-L662 PolarHBondContact O-N 2.93Å; N658-L662 VanDerWaalsContact O-N 3.1Å
659	K	78.5	Confident	84.1	Confident	53 Å²	53	52.1 Å²	52.1	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-35.7	-178.6	-162.7	176.6	-169.7	-171.2	0	112.3	E622 E642 I645 L662 R663	E622-K659 IonicContact OE1-NZ 3.59Å; E622-K659 WeakPolarHBondContact OE2-CE 3.33Å; E622-K659 IonicContact OE2-NZ 3.42Å; E622-K659 PolarHBondContact OE2-NZ 2.95Å; E642-K659 IonicContact OE1-NZ 2.67Å; E642-K659 PolarHBondContact OE1-NZ 3.07Å; I645-K659 HydrophobicContact CD1-CG 4.18Å; I645-K659 HydrophobicContact CG2-CG 4.33Å; K659-L662 PolarHBondContact O-N 3.48Å; K659-R663 WeakPolarHBondContact O-CG 3.2Å; K659-R663 PolarHBondContact O-N 3.02Å
660	T	77.2	Confident	84.3	Confident	58 Å²	58	50.1 Å²	50.1	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-44.6	179.4	-53.1	0	0	0	0	112	N658 L662 R663 S664	N658-T660 PolarHBondContact O-N 3.45Å; N658-T660 WeakPolarHBondContact OD1-CA 3.5Å; N658-T660 WeakPolarHBondContact OD1-CB 3.36Å; N658-T660 PolarHBondContact OD1-N 3.46Å; N658-T660 VanDerWaalsContact OD1-N 3.07Å; T660-L662 VanDerWaalsContact C-N 3.34Å; T660-R663 PolarHBondContact O-N 2.86Å; T660-S664 PolarHBondContact O-N 3.1Å; T660-S664 VanDerWaalsContact O-N 3.12Å
661	D	79.5	Confident	84.6	Confident	13 Å²	13	43 Å²	43	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-42.5	176.2	-65.3	-37.6	0	0	0	110.6	Y657 N658 S664 L665 K720 F721	Y657-D661 HydrophobicContact CD1-CB 3.81Å; N658-D661 VanDerWaalsContact CG-OD2 3.3Å; N658-D661 PolarHBondContact ND2-OD2 2.72Å; N658-D661 PolarHBondContact O-N 2.79Å; N658-D661 VanDerWaalsContact O-N 3.17Å; N658-D661 VanDerWaalsContact OD1-CG 3.31Å; N658-D661 PolarHBondContact OD1-N 3.46Å; N658-D661 PolarHBondContact OD1-OD2 3.16Å; D661-S664 WeakPolarHBondContact O-CA 3.41Å; D661-S664 WeakPolarHBondContact O-CB 3.41Å; D661-S664 PolarHBondContact O-N 3.39Å; D661-S664 VanDerWaalsContact O-N 3.12Å; D661-L665 PolarHBondContact O-N 2.89Å; D661-K720 IonicContact OD1-NZ 2.93Å; D661-K720 PolarHBondContact OD1-NZ 3.23Å; D661-K720 IonicContact OD2-NZ 2.61Å; D661-K720 PolarHBondContact OD2-NZ 3.34Å; D661-F721 HydrophobicContact CB-CE2 4.32Å; D661-F721 HydrophobicContact CB-CZ 4.05Å; D661-F721 VanDerWaalsContact O-CE2 3.29Å; D661-F721 WeakPolarHBondContact O-CE2 3.39Å
662	L	85	Confident	84.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-34.7	179.9	-64.1	175.6	0	0	0	113.4	I645 L648 Q649 F654 N658 K659 T660 S664 L665 S666	I645-L662 HydrophobicContact CG1-CB 4.45Å; I645-L662 HydrophobicContact CG2-CB 4.06Å; I645-L662 HydrophobicContact CG2-CD1 3.97Å; L648-L662 HydrophobicContact CB-CD2 4.28Å; Q649-L662 HydrophobicContact CG-CD1 3.22Å; F654-L662 HydrophobicContact CB-CD2 3.94Å; N658-L662 WeakPolarHBondContact O-CG 3.11Å; N658-L662 PolarHBondContact O-N 2.93Å; N658-L662 VanDerWaalsContact O-N 3.1Å; K659-L662 PolarHBondContact O-N 3.48Å; T660-L662 VanDerWaalsContact C-N 3.34Å; L662-S664 VanDerWaalsContact C-N 3.27Å; L662-S664 PolarHBondContact O-N 2.86Å; L662-L665 PolarHBondContact O-N 2.98Å; L662-S666 WeakPolarHBondContact O-CB 3.32Å; L662-S666 PolarHBondContact O-N 3.08Å
663	R	82.6	Confident	85.4	Confident	51 Å²	51	36.6 Å²	36.6	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-39.1	168.5	-77.6	-178.9	-165.7	148	2.3	111.5	Y615 E622 I645 K659 T660 S666 A667	Y615-R663 HydrophobicContact CE2-CB 4.44Å; E622-R663 IonicContact OE2-CZ 2.79Å; E622-R663 IonicContact OE2-NE 3.53Å; E622-R663 IonicContact OE2-NH2 3.81Å; E622-R663 PolarHBondContact OE2-NH2 3.41Å; I645-R663 HydrophobicContact CD1-CG 3.51Å; I645-R663 HydrophobicContact CG1-CG 4.41Å; K659-R663 WeakPolarHBondContact O-CG 3.2Å; K659-R663 PolarHBondContact O-N 3.02Å; T660-R663 PolarHBondContact O-N 2.86Å; R663-S666 WeakPolarHBondContact O-CB 3.34Å; R663-S666 PolarHBondContact O-N 3.31Å; R663-A667 PolarHBondContact O-N 2.88Å
664	S	82.4	Confident	86	Confident	27 Å²	27	33.9 Å²	33.9	19%	0.189	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-45	176	-159.2	0	0	0	0	111.4	R611 T660 D661 L662 A667 D668	R611-S664 PolarHBondContact NH2-OG 3.43Å; T660-S664 PolarHBondContact O-N 3.1Å; T660-S664 VanDerWaalsContact O-N 3.12Å; D661-S664 WeakPolarHBondContact O-CA 3.41Å; D661-S664 WeakPolarHBondContact O-CB 3.41Å; D661-S664 PolarHBondContact O-N 3.39Å; D661-S664 VanDerWaalsContact O-N 3.12Å; L662-S664 VanDerWaalsContact C-N 3.27Å; L662-S664 PolarHBondContact O-N 2.86Å; S664-A667 PolarHBondContact O-N 3.47Å; S664-D668 PolarHBondContact O-N 3.22Å
665	L	86	Confident	86.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-41.5	174.2	179.7	57.5	0	0	0	112.5	L648 F654 D661 L662 A667 D668 I669 F721 I726	L648-L665 HydrophobicContact CD1-CD2 4.22Å; L648-L665 HydrophobicContact CD1-CG 4.32Å; L648-L665 HydrophobicContact CD2-CD2 4.09Å; F654-L665 HydrophobicContact CD1-CD2 4Å; F654-L665 HydrophobicContact CD2-CD2 4.19Å; F654-L665 HydrophobicContact CE1-CD2 3.67Å; F654-L665 HydrophobicContact CE2-CD2 3.86Å; F654-L665 HydrophobicContact CG-CD2 4.26Å; F654-L665 HydrophobicContact CZ-CD2 3.59Å; D661-L665 PolarHBondContact O-N 2.89Å; L662-L665 PolarHBondContact O-N 2.98Å; L665-A667 VanDerWaalsContact C-N 3.33Å; L665-A667 PolarHBondContact O-N 2.93Å; L665-D668 WeakPolarHBondContact O-CB 3.34Å; L665-D668 PolarHBondContact O-N 3.42Å; L665-D668 VanDerWaalsContact O-N 3.11Å; L665-I669 HydrophobicContact CD1-CD1 4.07Å; L665-I669 HydrophobicContact CD1-CG1 4.17Å; L665-I669 HydrophobicContact CG-CD1 3.87Å; L665-I669 HydrophobicContact CG-CG1 4.44Å; L665-I669 WeakPolarHBondContact O-CG1 3.38Å; L665-I669 PolarHBondContact O-N 3.33Å; L665-F721 HydrophobicContact CB-CD2 3.8Å; L665-F721 HydrophobicContact CB-CE1 4.42Å; L665-F721 HydrophobicContact CB-CE2 3.62Å; L665-F721 HydrophobicContact CB-CG 4.3Å; L665-F721 HydrophobicContact CB-CZ 3.93Å; L665-F721 HydrophobicContact CD1-CB 3.99Å; L665-F721 HydrophobicContact CD1-CD1 4.3Å; L665-F721 HydrophobicContact CD1-CD2 4.04Å; L665-F721 HydrophobicContact CD1-CG 3.83Å; L665-F721 HydrophobicContact CD2-CD1 3.89Å; L665-F721 HydrophobicContact CD2-CE1 3.84Å; L665-F721 HydrophobicContact CD2-CE2 4.5Å; L665-F721 HydrophobicContact CD2-CG 4.22Å; L665-F721 HydrophobicContact CD2-CZ 4.14Å; L665-F721 HydrophobicContact CG-CD1 4.49Å; L665-F721 HydrophobicContact CG-CD2 4.32Å; L665-F721 HydrophobicContact CG-CE2 4.46Å; L665-F721 HydrophobicContact CG-CG 4.33Å; L665-I726 HydrophobicContact CD1-CG1 4.01Å
666	S	87.8	Confident	87.1	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-55.7	-49.1	173.8	164.7	0	0	0	0	110.8	Q644 L662 R663 D668 I669 N670	Q644-S666 PolarHBondContact OE1-OG 3.41Å; L662-S666 WeakPolarHBondContact O-CB 3.32Å; L662-S666 PolarHBondContact O-N 3.08Å; R663-S666 WeakPolarHBondContact O-CB 3.34Å; R663-S666 PolarHBondContact O-N 3.31Å; S666-D668 VanDerWaalsContact C-N 3.28Å; S666-D668 PolarHBondContact O-N 2.55Å; S666-I669 PolarHBondContact O-N 2.97Å; S666-N670 WeakPolarHBondContact O-CB 3.16Å; S666-N670 PolarHBondContact O-N 3.15Å; S666-N670 PolarHBondContact O-ND2 3.23Å; S666-N670 PolarHBondContact OG-ND2 3.31Å
667	A	88.3	Confident	87.7	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-36.6	175.7	0	0	0	0	0	112.4	R611 Y615 R663 S664 L665 G671	R611-A667 WeakPolarHBondContact CA-O 3.41Å; R611-A667 HydrophobicContact CG-CB 3.87Å; Y615-A667 HydrophobicContact CD2-CB 3.81Å; Y615-A667 HydrophobicContact CG-CB 4.33Å; R663-A667 PolarHBondContact O-N 2.88Å; S664-A667 PolarHBondContact O-N 3.47Å; L665-A667 VanDerWaalsContact C-N 3.33Å; L665-A667 PolarHBondContact O-N 2.93Å; A667-G671 WeakPolarHBondContact O-CA 3.47Å; A667-G671 PolarHBondContact O-N 2.96Å
668	D	88.7	Confident	88.3	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-46.6	177.1	-78.5	-25.9	0	0	0	113.3	W607 R611 S664 L665 S666 L672 I726	W607-D668 HydrophobicContact CZ2-CB 4.21Å; W607-D668 WeakPolarHBondContact CZ2-OD1 3.12Å; W607-D668 PolarHBondContact NE1-O 3.06Å; W607-D668 VanDerWaalsContact NE1-O 3.13Å; R611-D668 WeakPolarHBondContact CD-OD1 3.23Å; R611-D668 WeakPolarHBondContact CG-OD1 3.28Å; R611-D668 VanDerWaalsContact CZ-CG 3.44Å; R611-D668 IonicContact CZ-OD1 2.95Å; R611-D668 IonicContact CZ-OD2 3.64Å; R611-D668 IonicContact NE-OD1 3.89Å; R611-D668 PolarHBondContact NE-OD1 3.03Å; R611-D668 VanDerWaalsContact NH1-CG 3.27Å; R611-D668 IonicContact NH1-OD1 2.76Å; R611-D668 PolarHBondContact NH1-OD1 3.17Å; R611-D668 IonicContact NH1-OD2 3.32Å; R611-D668 PolarHBondContact NH1-OD2 3.45Å; R611-D668 VanDerWaalsContact NH1-OD2 3.15Å; R611-D668 IonicContact NH2-OD1 2.79Å; R611-D668 IonicContact NH2-OD2 2.69Å; R611-D668 PolarHBondContact NH2-OD2 3.01Å; S664-D668 PolarHBondContact O-N 3.22Å; L665-D668 WeakPolarHBondContact O-CB 3.34Å; L665-D668 PolarHBondContact O-N 3.42Å; L665-D668 VanDerWaalsContact O-N 3.11Å; S666-D668 VanDerWaalsContact C-N 3.28Å; S666-D668 PolarHBondContact O-N 2.55Å; D668-L672 WeakPolarHBondContact O-CB 3.31Å; D668-L672 PolarHBondContact O-N 3.28Å; D668-I726 HydrophobicContact CB-CD1 3.88Å; D668-I726 HydrophobicContact CB-CG1 4.17Å
669	I	91.7	Very high	89	Confident	3 Å²	3	20.5 Å²	20.5	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-54.6	177.9	-67.6	163.2	0	0	0	110	L648 L665 S666 L672 M673 I726 H729 L752	L648-I669 HydrophobicContact CD1-CD1 4.44Å; L648-I669 HydrophobicContact CD2-CD1 3.93Å; L665-I669 HydrophobicContact CD1-CD1 4.07Å; L665-I669 HydrophobicContact CD1-CG1 4.17Å; L665-I669 HydrophobicContact CG-CD1 3.87Å; L665-I669 HydrophobicContact CG-CG1 4.44Å; L665-I669 WeakPolarHBondContact O-CG1 3.38Å; L665-I669 PolarHBondContact O-N 3.33Å; S666-I669 PolarHBondContact O-N 2.97Å; I669-L672 PolarHBondContact O-N 3.34Å; I669-M673 HydrophobicContact CG2-SD 4.42Å; I669-M673 WeakPolarHBondContact O-CG 3.28Å; I669-M673 PolarHBondContact O-N 3.41Å; I669-M673 VanDerWaalsContact O-N 3.13Å; I669-I726 HydrophobicContact CG1-CG2 4.29Å; I669-H729 HydrophobicContact CD1-CB 4.36Å; I669-H729 VanDerWaalsContact CD1-CD2 3.41Å; I669-H729 WeakPolarHBondContact CD1-CD2 3.19Å; I669-H729 HydrophobicContact CG1-CB 4.33Å; I669-H729 HydrophobicContact CG2-CB 3.74Å; I669-L752 HydrophobicContact CG2-CD2 3.69Å
670	N	91.6	Very high	89.4	Confident	6 Å²	6	18.8 Å²	18.8	3%	0.032	10%	0.096	C	C	.	.	H	α-helix	trans	-74.6	-31.3	-172.2	-62.7	-62.3	0	0	0	112.1	M614 Q644 S666 L672 M673 L674 L753	M614-N670 HydrophobicContact CE-CB 3.44Å; M614-N670 VanDerWaalsContact CE-CB 3.44Å; M614-N670 HydrophobicContact CG-CB 4.05Å; M614-N670 HydrophobicContact SD-CB 4.33Å; Q644-N670 PolarHBondContact NE2-ND2 2.69Å; Q644-N670 PolarHBondContact OE1-ND2 2.93Å; S666-N670 WeakPolarHBondContact O-CB 3.16Å; S666-N670 PolarHBondContact O-N 3.15Å; S666-N670 PolarHBondContact O-ND2 3.23Å; S666-N670 PolarHBondContact OG-ND2 3.31Å; N670-L672 VanDerWaalsContact C-N 3.33Å; N670-M673 PolarHBondContact O-N 3.49Å; N670-L674 WeakPolarHBondContact O-CB 3.19Å; N670-L674 PolarHBondContact O-N 3.17Å; N670-L753 VanDerWaalsContact ND2-CD1 3.25Å; N670-L753 WeakPolarHBondContact ND2-CD1 3.4Å; N670-L753 WeakPolarHBondContact ND2-CG 3.46Å; N670-L753 WeakPolarHBondContact OD1-CB 3.41Å; N670-L753 PolarHBondContact OD1-N 3.35Å
671	G	92.8	Very high	89.3	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-38.4	172.3	0	0	0	0	0	112.6	G610 A667 S675	G610-G671 VanDerWaalsContact C-CA 3.45Å; A667-G671 WeakPolarHBondContact O-CA 3.47Å; A667-G671 PolarHBondContact O-N 2.96Å; G671-S675 WeakPolarHBondContact O-CB 3.42Å; G671-S675 PolarHBondContact O-N 2.77Å
672	L	93.5	Very high	88.9	Confident	2 Å²	2	27 Å²	27	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-44.8	174.7	-173.7	68.4	0	0	0	111.8	W607 D668 I669 N670 S675 F676 F691 F692 F695 I726 L727	W607-L672 HydrophobicContact CG-CD1 4.34Å; D668-L672 WeakPolarHBondContact O-CB 3.31Å; D668-L672 PolarHBondContact O-N 3.28Å; I669-L672 PolarHBondContact O-N 3.34Å; N670-L672 VanDerWaalsContact C-N 3.33Å; L672-S675 PolarHBondContact O-N 2.94Å; L672-F676 WeakPolarHBondContact O-CB 3.22Å; L672-F676 PolarHBondContact O-N 3.29Å; L672-F691 HydrophobicContact CD1-CE1 3.71Å; L672-F691 HydrophobicContact CD1-CZ 3.85Å; L672-F691 HydrophobicContact CG-CE1 4.4Å; L672-F692 HydrophobicContact CD2-CE1 4.31Å; L672-F695 HydrophobicContact CD1-CB 4.28Å; L672-F695 HydrophobicContact CD1-CD1 4.01Å; L672-F695 HydrophobicContact CD1-CD2 3.75Å; L672-F695 HydrophobicContact CD1-CE1 4.28Å; L672-F695 HydrophobicContact CD1-CE2 4.09Å; L672-F695 HydrophobicContact CD1-CG 3.72Å; L672-F695 HydrophobicContact CD1-CZ 4.33Å; L672-F695 HydrophobicContact CD2-CD1 4.13Å; L672-F695 HydrophobicContact CD2-CE1 3.88Å; L672-F695 HydrophobicContact CD2-CZ 4.24Å; L672-I726 HydrophobicContact CB-CG2 4.44Å; L672-I726 HydrophobicContact CD2-CG2 3.83Å; L672-L727 HydrophobicContact CD2-CD2 3.67Å
673	M	93.9	Very high	88.5	Confident	41 Å²	41	27.5 Å²	27.5	20%	0.202	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-44.1	177.4	-69.6	-178.9	79	0	0	112.3	I669 N670 F676 K677 L752	I669-M673 HydrophobicContact CG2-SD 4.42Å; I669-M673 WeakPolarHBondContact O-CG 3.28Å; I669-M673 PolarHBondContact O-N 3.41Å; I669-M673 VanDerWaalsContact O-N 3.13Å; N670-M673 PolarHBondContact O-N 3.49Å; M673-F676 PolarHBondContact O-N 2.88Å; M673-K677 VanDerWaalsContact O-CB 3.28Å; M673-K677 WeakPolarHBondContact O-CB 3.32Å; M673-K677 PolarHBondContact O-N 2.98Å; M673-L752 HydrophobicContact CE-CD1 3.66Å; M673-L752 HydrophobicContact CE-CD2 4.01Å; M673-L752 HydrophobicContact CE-CG 4.3Å; M673-L752 HydrophobicContact SD-CB 4.44Å; M673-L752 HydrophobicContact SD-CD1 4.09Å; M673-L752 HydrophobicContact SD-CD2 3.23Å; M673-L752 WeakPolarHBondContact SD-CD2 3.27Å; M673-L752 HydrophobicContact SD-CG 4.08Å
674	L	94.5	Very high	88.7	Confident	11 Å²	11	30 Å²	30	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-50.2	176.3	178.4	59.9	0	0	0	110.2	L476 T479 L480 L613 M614 N670 F676 K677 T678	L476-L674 HydrophobicContact CD2-CD2 4.37Å; L476-L674 HydrophobicContact CD2-CG 3.9Å; T479-L674 HydrophobicContact CG2-CD1 3.89Å; L480-L674 HydrophobicContact CB-CD1 3.91Å; L480-L674 HydrophobicContact CB-CD2 4.24Å; L613-L674 HydrophobicContact CD2-CD2 4.26Å; M614-L674 HydrophobicContact CG-CD2 4.34Å; M614-L674 HydrophobicContact SD-CD2 4.29Å; N670-L674 WeakPolarHBondContact O-CB 3.19Å; N670-L674 PolarHBondContact O-N 3.17Å; L674-F676 PolarHBondContact O-N 3.3Å; L674-K677 PolarHBondContact O-N 3.45Å; L674-T678 PolarHBondContact O-N 3.37Å; L674-T678 PolarHBondContact O-OG1 2.87Å
675	S	95.7	Very high	89	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-46.2	178.1	-173.2	0	0	0	0	112.9	Y602 G606 W607 G671 L672 K677 T678 Y679	Y602-S675 PolarHBondContact O-OG 2.92Å; G606-S675 WeakPolarHBondContact CA-OG 3.43Å; W607-S675 PolarHBondContact N-OG 3.27Å; G671-S675 WeakPolarHBondContact O-CB 3.42Å; G671-S675 PolarHBondContact O-N 2.77Å; L672-S675 PolarHBondContact O-N 2.94Å; S675-K677 PolarHBondContact O-N 3.14Å; S675-T678 PolarHBondContact O-N 3.21Å; S675-Y679 PolarHBondContact O-N 3.06Å; S675-Y679 VanDerWaalsContact O-N 3.12Å
676	F	95.8	Very high	89.2	Confident	13 Å²	13	38.3 Å²	38.3	6%	0.057	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-45.6	177.5	-177.7	-97.5	0	0	0	111.4	L672 M673 L674 T678 Y679 A680 K688 F691 F692 E732 I736	L672-F676 WeakPolarHBondContact O-CB 3.22Å; L672-F676 PolarHBondContact O-N 3.29Å; M673-F676 PolarHBondContact O-N 2.88Å; L674-F676 PolarHBondContact O-N 3.3Å; F676-T678 VanDerWaalsContact C-N 3.32Å; F676-T678 PolarHBondContact O-N 3.39Å; F676-Y679 PolarHBondContact O-N 2.93Å; F676-A680 HydrophobicContact CD1-CB 3.98Å; F676-A680 HydrophobicContact CE1-CB 3.54Å; F676-A680 HydrophobicContact CE2-CB 4.39Å; F676-A680 HydrophobicContact CZ-CB 3.77Å; F676-A680 WeakPolarHBondContact O-CB 3.44Å; F676-A680 PolarHBondContact O-N 3.37Å; F676-K688 HydrophobicContact CE2-CB 4.26Å; F676-K688 HydrophobicContact CE2-CG 4Å; F676-K688 HydrophobicContact CZ-CB 4.46Å; F676-K688 HydrophobicContact CZ-CD 4.25Å; F676-K688 HydrophobicContact CZ-CG 3.96Å; F676-F691 HydrophobicContact CB-CE1 3.77Å; F676-F691 HydrophobicContact CB-CE2 4.22Å; F676-F691 HydrophobicContact CB-CZ 3.6Å; F676-F691 AromaticContact CD2-CD1 3.56Å; F676-F691 HydrophobicContact CD2-CD1 3.56Å; F676-F691 HydrophobicContact CD2-CD2 4.35Å; F676-F691 AromaticContact CD2-CE1 3.67Å; F676-F691 HydrophobicContact CD2-CE1 3.67Å; F676-F691 HydrophobicContact CD2-CE2 4.41Å; F676-F691 AromaticContact CD2-CG 3.95Å; F676-F691 HydrophobicContact CD2-CG 3.95Å; F676-F691 HydrophobicContact CD2-CZ 4.11Å; F676-F691 HydrophobicContact CE2-CD1 4.32Å; F676-F691 HydrophobicContact CG-CD1 4.5Å; F676-F691 HydrophobicContact CG-CE1 4.19Å; F676-F691 HydrophobicContact CG-CZ 4.38Å; F676-F692 AromaticContact CD2-CE2 3.69Å; F676-F692 HydrophobicContact CD2-CE2 3.69Å; F676-F692 AromaticContact CD2-CZ 3.65Å; F676-F692 HydrophobicContact CD2-CZ 3.65Å; F676-F692 HydrophobicContact CE2-CD2 4.34Å; F676-F692 AromaticContact CE2-CE2 3.46Å; F676-F692 HydrophobicContact CE2-CE2 3.46Å; F676-F692 VanDerWaalsContact CE2-CE2 3.46Å; F676-F692 AromaticContact CE2-CZ 3.88Å; F676-F692 HydrophobicContact CE2-CZ 3.88Å; F676-F692 HydrophobicContact CG-CE2 4.48Å; F676-F692 HydrophobicContact CG-CZ 4.07Å; F676-F692 HydrophobicContact CZ-CE2 4.14Å; F676-F692 HydrophobicContact CZ-CZ 4.5Å; F676-E732 HydrophobicContact CD1-CB 3.83Å; F676-E732 HydrophobicContact CD1-CG 3.82Å; F676-E732 HydrophobicContact CE1-CB 3.44Å; F676-E732 VanDerWaalsContact CE1-CB 3.44Å; F676-E732 HydrophobicContact CE1-CG 3.58Å; F676-E732 HydrophobicContact CZ-CB 4.05Å; F676-I736 HydrophobicContact CE2-CD1 3.86Å; F676-I736 HydrophobicContact CZ-CD1 3.56Å
677	K	94.4	Very high	89.4	Confident	109 Å²	109	38.5 Å²	38.5	47%	0.474	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-40.3	179.8	-173.6	174.8	-178.6	177.4	0	111.9	T479 S483 M673 L674 S675 Y679	T479-K677 HydrophobicContact CG2-CB 4.06Å; T479-K677 HydrophobicContact CG2-CD 3.93Å; T479-K677 HydrophobicContact CG2-CG 3.78Å; S483-K677 PolarHBondContact OG-NZ 3.25Å; M673-K677 VanDerWaalsContact O-CB 3.28Å; M673-K677 WeakPolarHBondContact O-CB 3.32Å; M673-K677 PolarHBondContact O-N 2.98Å; L674-K677 PolarHBondContact O-N 3.45Å; S675-K677 PolarHBondContact O-N 3.14Å; K677-Y679 VanDerWaalsContact C-N 3.33Å
678	T	94.8	Very high	89.7	Confident	14 Å²	14	40.8 Å²	40.8	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-40.3	175.7	-58.2	0	0	0	0	111.7	E475 L476 T479 Y602 L674 S675 F676	E475-T678 HydrophobicContact CB-CG2 3.72Å; L476-T678 HydrophobicContact CD2-CG2 4.48Å; T479-T678 WeakPolarHBondContact CB-OG1 3.44Å; T479-T678 WeakPolarHBondContact CG2-OG1 3.42Å; T479-T678 PolarHBondContact OG1-OG1 2.04Å; Y602-T678 HydrophobicContact CD1-CG2 4.48Å; Y602-T678 HydrophobicContact CE1-CG2 3.55Å; Y602-T678 WeakPolarHBondContact OH-CG2 2.93Å; L674-T678 PolarHBondContact O-N 3.37Å; L674-T678 PolarHBondContact O-OG1 2.87Å; S675-T678 PolarHBondContact O-N 3.21Å; F676-T678 VanDerWaalsContact C-N 3.32Å; F676-T678 PolarHBondContact O-N 3.39Å
679	Y	94.3	Very high	89.8	Confident	22 Å²	22	43.2 Å²	43.2	9%	0.086	23%	0.232	C	C	.	.	H	α-helix	trans	-76.9	-38.4	177.8	168.5	-106.8	0	0	0	114.1	M598 Y602 S675 F676 K677 S681 D682 G683 G687 K688 F691	M598-Y679 HydrophobicContact CB-CD2 4.37Å; M598-Y679 HydrophobicContact CB-CE2 4.27Å; Y602-Y679 HydrophobicContact CD2-CD2 4.1Å; Y602-Y679 HydrophobicContact CD2-CG 4.41Å; S675-Y679 PolarHBondContact O-N 3.06Å; S675-Y679 VanDerWaalsContact O-N 3.12Å; F676-Y679 PolarHBondContact O-N 2.93Å; K677-Y679 VanDerWaalsContact C-N 3.33Å; Y679-S681 VanDerWaalsContact C-N 3.27Å; Y679-S681 PolarHBondContact O-N 3.04Å; Y679-S681 VanDerWaalsContact O-N 3.14Å; Y679-D682 PolarHBondContact O-N 3.14Å; Y679-G683 WeakPolarHBondContact OH-CA 3.37Å; Y679-G687 VanDerWaalsContact OH-C 3.31Å; Y679-G687 VanDerWaalsContact OH-CA 3.27Å; Y679-G687 WeakPolarHBondContact OH-CA 3.49Å; Y679-K688 HydrophobicContact CE1-CG 4.15Å; Y679-F691 HydrophobicContact CD1-CB 4.33Å; Y679-F691 HydrophobicContact CD1-CD2 4.09Å; Y679-F691 HydrophobicContact CD1-CG 4.48Å; Y679-F691 HydrophobicContact CE1-CB 4.35Å; Y679-F691 HydrophobicContact CG-CD2 4.43Å
680	A	86.9	Confident	89.7	Confident	18 Å²	18	46.1 Å²	46.1	15%	0.149	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-17.2	-160.1	0	0	0	0	0	115.4	F676 D682 K688	F676-A680 HydrophobicContact CD1-CB 3.98Å; F676-A680 HydrophobicContact CE1-CB 3.54Å; F676-A680 HydrophobicContact CE2-CB 4.39Å; F676-A680 HydrophobicContact CZ-CB 3.77Å; F676-A680 WeakPolarHBondContact O-CB 3.44Å; F676-A680 PolarHBondContact O-N 3.37Å; A680-D682 PolarHBondContact O-N 3Å; A680-K688 VanDerWaalsContact O-CE 3.24Å; A680-K688 WeakPolarHBondContact O-CE 3.43Å; A680-K688 PolarHBondContact O-NZ 3.04Å
681	S	75.5	Confident	89.9	Confident	95 Å²	95	45.9 Å²	45.9	66%	0.664	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.4	175.7	60.6	0	0	0	0	112	Y679	Y679-S681 VanDerWaalsContact C-N 3.27Å; Y679-S681 PolarHBondContact O-N 3.04Å; Y679-S681 VanDerWaalsContact O-N 3.14Å
682	D	71.4	Confident	89.8	Confident	148 Å²	148	45.9 Å²	45.9	79%	0.791	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	-13.6	-169.2	-62.7	-0.6	0	0	0	112.5	Y679 A680	Y679-D682 PolarHBondContact O-N 3.14Å; A680-D682 PolarHBondContact O-N 3Å
683	G	75.3	Confident	89.6	Confident	10 Å²	10	47.1 Å²	47.1	10%	0.103	26%	0.255	C	S	.	.			trans	-85.4	133.5	-174.1	0	0	0	0	0	115	Y679 K688	Y679-G683 WeakPolarHBondContact OH-CA 3.37Å; G683-K688 VanDerWaalsContact O-CE 3.3Å; G683-K688 WeakPolarHBondContact O-CE 3.48Å; G683-K688 PolarHBondContact O-NZ 3.17Å
684	D	88.3	Confident	89.3	Confident	104 Å²	104	45.7 Å²	45.7	56%	0.556	25%	0.249	S	C	*	.			trans	-70.1	176	163.6	68.3	8	0	0	0	111.6	D686 G687 K688	D684-D686 VanDerWaalsContact C-N 3.28Å; D684-D686 PolarHBondContact O-N 3.43Å; D684-D686 PolarHBondContact OD1-N 2.92Å; D684-G687 PolarHBondContact O-N 2.92Å; D684-G687 PolarHBondContact OD1-N 3.47Å; D684-K688 WeakPolarHBondContact O-CB 3.05Å; D684-K688 VanDerWaalsContact O-CG 3.29Å; D684-K688 WeakPolarHBondContact O-CG 3.28Å; D684-K688 PolarHBondContact O-N 2.93Å
685	L	88.7	Confident	89	Confident	85 Å²	85	45.2 Å²	45.2	45%	0.445	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-36.3	-177.6	-177.1	61.9	0	0	0	112	K688 K689 I736	L685-K688 WeakPolarHBondContact O-CB 3.05Å; L685-K688 PolarHBondContact O-N 3.47Å; L685-K689 WeakPolarHBondContact O-CG 3.35Å; L685-K689 PolarHBondContact O-N 3.47Å; L685-I736 HydrophobicContact CD1-CG1 4.31Å; L685-I736 HydrophobicContact CD1-CG2 4.22Å
686	D	89.6	Confident	88.4	Confident	117 Å²	117	45.2 Å²	45.2	63%	0.626	25%	0.246	S	C	*	.	H	α-helix	trans	-69.9	-44.8	-178.5	-70.4	-17.5	0	0	0	110.9	D684 K688 K689 L690	D684-D686 VanDerWaalsContact C-N 3.28Å; D684-D686 PolarHBondContact O-N 3.43Å; D684-D686 PolarHBondContact OD1-N 2.92Å; D686-K688 VanDerWaalsContact C-N 3.29Å; D686-K688 PolarHBondContact O-N 3.25Å; D686-K689 PolarHBondContact O-N 2.67Å; D686-L690 WeakPolarHBondContact O-CB 3.3Å; D686-L690 PolarHBondContact O-N 2.9Å
687	G	92.3	Very high	87.6	Confident	7 Å²	7	47.5 Å²	47.5	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-35.8	172.8	0	0	0	0	0	112.3	S599 Y679 D684 L690 F691	S599-G687 WeakPolarHBondContact CB-O 3.43Å; Y679-G687 VanDerWaalsContact OH-C 3.31Å; Y679-G687 VanDerWaalsContact OH-CA 3.27Å; Y679-G687 WeakPolarHBondContact OH-CA 3.49Å; D684-G687 PolarHBondContact O-N 2.92Å; D684-G687 PolarHBondContact OD1-N 3.47Å; G687-L690 PolarHBondContact O-N 2.59Å; G687-F691 PolarHBondContact O-N 3.42Å
688	K	93.6	Very high	86.9	Confident	50 Å²	50	42.8 Å²	42.8	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-40.3	173	-77.8	168.5	172.1	145.3	0	112.9	F676 Y679 A680 G683 D684 L685 D686 F692 I736	F676-K688 HydrophobicContact CE2-CB 4.26Å; F676-K688 HydrophobicContact CE2-CG 4Å; F676-K688 HydrophobicContact CZ-CB 4.46Å; F676-K688 HydrophobicContact CZ-CD 4.25Å; F676-K688 HydrophobicContact CZ-CG 3.96Å; Y679-K688 HydrophobicContact CE1-CG 4.15Å; A680-K688 VanDerWaalsContact O-CE 3.24Å; A680-K688 WeakPolarHBondContact O-CE 3.43Å; A680-K688 PolarHBondContact O-NZ 3.04Å; G683-K688 VanDerWaalsContact O-CE 3.3Å; G683-K688 WeakPolarHBondContact O-CE 3.48Å; G683-K688 PolarHBondContact O-NZ 3.17Å; D684-K688 WeakPolarHBondContact O-CB 3.05Å; D684-K688 VanDerWaalsContact O-CG 3.29Å; D684-K688 WeakPolarHBondContact O-CG 3.28Å; D684-K688 PolarHBondContact O-N 2.93Å; L685-K688 WeakPolarHBondContact O-CB 3.05Å; L685-K688 PolarHBondContact O-N 3.47Å; D686-K688 VanDerWaalsContact C-N 3.29Å; D686-K688 PolarHBondContact O-N 3.25Å; K688-F692 WeakPolarHBondContact O-CD2 3.2Å; K688-I736 HydrophobicContact CB-CD1 3.73Å; K688-I736 HydrophobicContact CB-CG1 4.33Å; K688-I736 HydrophobicContact CD-CD1 4.41Å; K688-I736 HydrophobicContact CG-CD1 4.34Å
689	K	90.8	Very high	86	Confident	53 Å²	53	44 Å²	44	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-40.9	171.8	-72.7	-175.1	-179.9	-162.9	0	111.4	D136 L685 D686 F691 F692 S693 I736	D136-K689 IonicContact OD1-NZ 2.69Å; D136-K689 PolarHBondContact OD1-NZ 3.07Å; D136-K689 IonicContact OD2-NZ 3.22Å; D136-K689 PolarHBondContact OD2-NZ 2.7Å; L685-K689 WeakPolarHBondContact O-CG 3.35Å; L685-K689 PolarHBondContact O-N 3.47Å; D686-K689 PolarHBondContact O-N 2.67Å; K689-F691 VanDerWaalsContact C-N 3.34Å; K689-F691 PolarHBondContact O-N 3.35Å; K689-F692 PolarHBondContact O-N 3.45Å; K689-S693 PolarHBondContact O-N 2.84Å; K689-I736 HydrophobicContact CB-CG2 4.48Å; K689-I736 HydrophobicContact CD-CG2 4.48Å; K689-I736 HydrophobicContact CG-CG2 3.45Å; K689-I736 VanDerWaalsContact CG-CG2 3.45Å
690	L	91.1	Very high	84.8	Confident	64 Å²	64	44.5 Å²	44.5	34%	0.335	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-36.8	179	-176.2	56.6	0	0	0	112.2	E600 D686 G687 F692 S693 S694	E600-L690 HydrophobicContact CG-CD1 3.99Å; E600-L690 HydrophobicContact CG-CD2 3.82Å; E600-L690 HydrophobicContact CG-CG 3.72Å; D686-L690 WeakPolarHBondContact O-CB 3.3Å; D686-L690 PolarHBondContact O-N 2.9Å; G687-L690 PolarHBondContact O-N 2.59Å; L690-F692 PolarHBondContact O-N 3.05Å; L690-S693 PolarHBondContact O-N 3.21Å; L690-S694 WeakPolarHBondContact O-CB 3.29Å; L690-S694 PolarHBondContact O-N 3.31Å; L690-S694 PolarHBondContact O-OG 3.16Å
691	F	94.3	Very high	83.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-53.2	-54.8	172.2	171.5	-80.1	0	0	0	111.6	S599 G603 L672 F676 Y679 G687 K689 S693 S694 F695	S599-F691 WeakPolarHBondContact O-CA 3.43Å; G603-F691 VanDerWaalsContact N-CD2 3.28Å; L672-F691 HydrophobicContact CD1-CE1 3.71Å; L672-F691 HydrophobicContact CD1-CZ 3.85Å; L672-F691 HydrophobicContact CG-CE1 4.4Å; F676-F691 HydrophobicContact CB-CE1 3.77Å; F676-F691 HydrophobicContact CB-CE2 4.22Å; F676-F691 HydrophobicContact CB-CZ 3.6Å; F676-F691 AromaticContact CD2-CD1 3.56Å; F676-F691 HydrophobicContact CD2-CD1 3.56Å; F676-F691 HydrophobicContact CD2-CD2 4.35Å; F676-F691 AromaticContact CD2-CE1 3.67Å; F676-F691 HydrophobicContact CD2-CE1 3.67Å; F676-F691 HydrophobicContact CD2-CE2 4.41Å; F676-F691 AromaticContact CD2-CG 3.95Å; F676-F691 HydrophobicContact CD2-CG 3.95Å; F676-F691 HydrophobicContact CD2-CZ 4.11Å; F676-F691 HydrophobicContact CE2-CD1 4.32Å; F676-F691 HydrophobicContact CG-CD1 4.5Å; F676-F691 HydrophobicContact CG-CE1 4.19Å; F676-F691 HydrophobicContact CG-CZ 4.38Å; Y679-F691 HydrophobicContact CD1-CB 4.33Å; Y679-F691 HydrophobicContact CD1-CD2 4.09Å; Y679-F691 HydrophobicContact CD1-CG 4.48Å; Y679-F691 HydrophobicContact CE1-CB 4.35Å; Y679-F691 HydrophobicContact CG-CD2 4.43Å; G687-F691 PolarHBondContact O-N 3.42Å; K689-F691 VanDerWaalsContact C-N 3.34Å; K689-F691 PolarHBondContact O-N 3.35Å; F691-S693 VanDerWaalsContact C-N 3.34Å; F691-S693 PolarHBondContact O-N 2.82Å; F691-S694 PolarHBondContact O-N 2.97Å; F691-F695 PolarHBondContact O-N 2.73Å
692	F	92	Very high	82.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-36.1	-177.3	-72.9	-67.6	0	0	0	112	Y143 L672 F676 K688 K689 L690 S694 F695 A696 L727 F733 I736	Y143-F692 HydrophobicContact CE1-CB 4.41Å; Y143-F692 WeakPolarHBondContact CE1-O 3.5Å; Y143-F692 VanDerWaalsContact OH-C 3.31Å; L672-F692 HydrophobicContact CD2-CE1 4.31Å; F676-F692 AromaticContact CD2-CE2 3.69Å; F676-F692 HydrophobicContact CD2-CE2 3.69Å; F676-F692 AromaticContact CD2-CZ 3.65Å; F676-F692 HydrophobicContact CD2-CZ 3.65Å; F676-F692 HydrophobicContact CE2-CD2 4.34Å; F676-F692 AromaticContact CE2-CE2 3.46Å; F676-F692 HydrophobicContact CE2-CE2 3.46Å; F676-F692 VanDerWaalsContact CE2-CE2 3.46Å; F676-F692 AromaticContact CE2-CZ 3.88Å; F676-F692 HydrophobicContact CE2-CZ 3.88Å; F676-F692 HydrophobicContact CG-CE2 4.48Å; F676-F692 HydrophobicContact CG-CZ 4.07Å; F676-F692 HydrophobicContact CZ-CE2 4.14Å; F676-F692 HydrophobicContact CZ-CZ 4.5Å; K688-F692 WeakPolarHBondContact O-CD2 3.2Å; K689-F692 PolarHBondContact O-N 3.45Å; L690-F692 PolarHBondContact O-N 3.05Å; F692-S694 VanDerWaalsContact C-N 3.33Å; F692-S694 PolarHBondContact O-N 3.28Å; F692-F695 PolarHBondContact O-N 3.41Å; F692-A696 PolarHBondContact O-N 3.42Å; F692-L727 HydrophobicContact CD1-CD2 3.55Å; F692-L727 HydrophobicContact CE1-CD2 3.93Å; F692-F733 HydrophobicContact CB-CD2 4.19Å; F692-F733 HydrophobicContact CB-CE2 4.47Å; F692-F733 HydrophobicContact CD1-CB 4.39Å; F692-F733 AromaticContact CD1-CD2 3.84Å; F692-F733 HydrophobicContact CD1-CD2 3.84Å; F692-F733 HydrophobicContact CD2-CD2 4.17Å; F692-F733 HydrophobicContact CE1-CB 3.92Å; F692-F733 HydrophobicContact CE1-CD2 4.24Å; F692-F733 HydrophobicContact CE2-CB 4.28Å; F692-F733 AromaticContact CG-CD2 3.8Å; F692-F733 HydrophobicContact CG-CD2 3.8Å; F692-F733 HydrophobicContact CZ-CB 3.87Å; F692-I736 HydrophobicContact CD2-CD1 4.15Å; F692-I736 HydrophobicContact CE2-CD1 3.55Å
693	S	88	Confident	81.4	Confident	28 Å²	28	44.7 Å²	44.7	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-39.4	176.7	-173.3	0	0	0	0	111.3	Y143 K689 L690 F691 A696 K697	Y143-S693 WeakPolarHBondContact OH-CA 3.21Å; Y143-S693 PolarHBondContact OH-N 3.19Å; K689-S693 PolarHBondContact O-N 2.84Å; L690-S693 PolarHBondContact O-N 3.21Å; F691-S693 VanDerWaalsContact C-N 3.34Å; F691-S693 PolarHBondContact O-N 2.82Å; S693-A696 PolarHBondContact O-N 2.89Å; S693-K697 WeakPolarHBondContact O-CB 3.16Å; S693-K697 VanDerWaalsContact O-CG 3.29Å; S693-K697 WeakPolarHBondContact O-CG 3.09Å; S693-K697 PolarHBondContact O-N 3.09Å
694	S	88	Confident	79.8	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-43.6	177.5	-55.4	0	0	0	0	111.7	E600 L690 F691 F692 K697 M698	E600-S694 VanDerWaalsContact CG-OG 3.27Å; E600-S694 WeakPolarHBondContact CG-OG 3.45Å; L690-S694 WeakPolarHBondContact O-CB 3.29Å; L690-S694 PolarHBondContact O-N 3.31Å; L690-S694 PolarHBondContact O-OG 3.16Å; F691-S694 PolarHBondContact O-N 2.97Å; F692-S694 VanDerWaalsContact C-N 3.33Å; F692-S694 PolarHBondContact O-N 3.28Å; S694-K697 PolarHBondContact O-N 3.43Å; S694-M698 WeakPolarHBondContact O-CB 3.41Å; S694-M698 PolarHBondContact O-N 3.36Å
695	F	88.5	Confident	77.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.3	-50.9	172.5	170.2	-111.4	0	0	0	111.6	G603 W607 L672 F691 F692 M698 M699 V723 I726 L727	G603-F695 WeakPolarHBondContact O-CA 3.44Å; G603-F695 VanDerWaalsContact O-CB 3.26Å; G603-F695 WeakPolarHBondContact O-CB 3.44Å; W607-F695 HydrophobicContact CB-CD2 4.4Å; W607-F695 AromaticContact CD1-CE2 3.87Å; W607-F695 HydrophobicContact CD2-CD2 4.05Å; W607-F695 AromaticContact CD2-CE2 3.64Å; W607-F695 HydrophobicContact CD2-CE2 3.64Å; W607-F695 AromaticContact CE2-CE2 3.47Å; W607-F695 VanDerWaalsContact CE2-CE2 3.47Å; W607-F695 HydrophobicContact CE3-CE2 4.23Å; W607-F695 AromaticContact CG-CD2 3.96Å; W607-F695 HydrophobicContact CG-CD2 3.96Å; W607-F695 AromaticContact CG-CE2 3.86Å; W607-F695 HydrophobicContact CG-CE2 3.86Å; W607-F695 HydrophobicContact CH2-CE2 4.37Å; W607-F695 AromaticContact CZ2-CE2 3.84Å; W607-F695 HydrophobicContact CZ2-CE2 3.84Å; W607-F695 HydrophobicContact CZ2-CZ 4.43Å; W607-F695 AromaticContact NE1-CE2 3.65Å; L672-F695 HydrophobicContact CD1-CB 4.28Å; L672-F695 HydrophobicContact CD1-CD1 4.01Å; L672-F695 HydrophobicContact CD1-CD2 3.75Å; L672-F695 HydrophobicContact CD1-CE1 4.28Å; L672-F695 HydrophobicContact CD1-CE2 4.09Å; L672-F695 HydrophobicContact CD1-CG 3.72Å; L672-F695 HydrophobicContact CD1-CZ 4.33Å; L672-F695 HydrophobicContact CD2-CD1 4.13Å; L672-F695 HydrophobicContact CD2-CE1 3.88Å; L672-F695 HydrophobicContact CD2-CZ 4.24Å; F691-F695 PolarHBondContact O-N 2.73Å; F692-F695 PolarHBondContact O-N 3.41Å; F695-M698 HydrophobicContact CD2-CE 3.67Å; F695-M698 HydrophobicContact CE2-CE 4.04Å; F695-M698 PolarHBondContact O-N 3.29Å; F695-M699 HydrophobicContact CD2-CG 4.21Å; F695-M699 HydrophobicContact CE2-CG 3.73Å; F695-M699 HydrophobicContact CE2-SD 4.23Å; F695-M699 HydrophobicContact CZ-CG 3.96Å; F695-M699 VanDerWaalsContact O-CG 3.32Å; F695-M699 WeakPolarHBondContact O-CG 3.35Å; F695-M699 PolarHBondContact O-N 3.4Å; F695-M699 VanDerWaalsContact O-N 3.08Å; F695-V723 HydrophobicContact CD1-CG1 4.24Å; F695-V723 HydrophobicContact CE1-CG1 3.89Å; F695-I726 HydrophobicContact CE1-CG2 4.39Å; F695-I726 HydrophobicContact CZ-CB 4.4Å; F695-I726 HydrophobicContact CZ-CD1 3.88Å; F695-I726 HydrophobicContact CZ-CG2 4.11Å; F695-L727 HydrophobicContact CD1-CD2 3.93Å; F695-L727 HydrophobicContact CD1-CG 4.41Å; F695-L727 HydrophobicContact CE1-CD2 3.96Å; F695-L727 HydrophobicContact CE1-CG 4.15Å
696	A	83.4	Confident	74.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-47.8	179.9	0	0	0	0	0	112.1	Y143 F692 S693 M698 M699 C700 V723	Y143-A696 HydrophobicContact CD1-CB 3.66Å; Y143-A696 HydrophobicContact CE1-CB 3.47Å; Y143-A696 VanDerWaalsContact CE1-CB 3.47Å; F692-A696 PolarHBondContact O-N 3.42Å; S693-A696 PolarHBondContact O-N 2.89Å; A696-M698 VanDerWaalsContact C-N 3.31Å; A696-M698 PolarHBondContact O-N 2.86Å; A696-M699 PolarHBondContact O-N 3.47Å; A696-M699 VanDerWaalsContact O-N 3.09Å; A696-C700 PolarHBondContact O-N 3.29Å; A696-C700 PolarHBondContact O-SG 2.85Å; A696-V723 HydrophobicContact CB-CG1 3.91Å
697	K	78.7	Confident	72.7	Confident	62 Å²	62	38 Å²	38	27%	0.27	19%	0.191	S	C	.	.	H	α-helix	trans	-55.8	-43.9	177.2	-80.4	-176.4	-176.9	-159.7	0	112.5	E150 F152 S693 S694 C700	E150-K697 IonicContact OE2-NZ 2.65Å; E150-K697 PolarHBondContact OE2-NZ 2.96Å; F152-K697 HydrophobicContact CE2-CB 4.04Å; F152-K697 HydrophobicContact CE2-CD 4.4Å; S693-K697 WeakPolarHBondContact O-CB 3.16Å; S693-K697 VanDerWaalsContact O-CG 3.29Å; S693-K697 WeakPolarHBondContact O-CG 3.09Å; S693-K697 PolarHBondContact O-N 3.09Å; S694-K697 PolarHBondContact O-N 3.43Å; K697-C700 WeakPolarHBondContact O-CB 3.46Å; K697-C700 PolarHBondContact O-N 3.37Å
698	M	80.3	Confident	70.6	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-44.8	175.7	170.9	-163.6	71.4	0	0	111.5	Y591 T604 W607 F608 S694 F695 A696 C700 T701	Y591-M698 HydrophobicContact CD1-CG 3.97Å; Y591-M698 HydrophobicContact CE1-CG 4.35Å; T604-M698 HydrophobicContact CG2-CB 3.94Å; T604-M698 HydrophobicContact CG2-CG 4.36Å; T604-M698 HydrophobicContact CG2-SD 3.98Å; W607-M698 HydrophobicContact CD2-CE 4.01Å; W607-M698 HydrophobicContact CE3-CE 3.23Å; W607-M698 HydrophobicContact CE3-SD 4.18Å; W607-M698 HydrophobicContact CH2-CE 4.42Å; W607-M698 HydrophobicContact CZ3-CE 3.47Å; W607-M698 VanDerWaalsContact CZ3-CE 3.47Å; W607-M698 HydrophobicContact CZ3-SD 4.47Å; F608-M698 HydrophobicContact CD2-SD 3.99Å; F608-M698 HydrophobicContact CE2-CE 4.36Å; F608-M698 HydrophobicContact CE2-CG 4.25Å; F608-M698 HydrophobicContact CE2-SD 3.3Å; F608-M698 WeakPolarHBondContact CE2-SD 3.12Å; F608-M698 HydrophobicContact CZ-CE 4.43Å; F608-M698 HydrophobicContact CZ-CG 4.48Å; F608-M698 HydrophobicContact CZ-SD 3.81Å; S694-M698 WeakPolarHBondContact O-CB 3.41Å; S694-M698 PolarHBondContact O-N 3.36Å; F695-M698 HydrophobicContact CD2-CE 3.67Å; F695-M698 HydrophobicContact CE2-CE 4.04Å; F695-M698 PolarHBondContact O-N 3.29Å; A696-M698 VanDerWaalsContact C-N 3.31Å; A696-M698 PolarHBondContact O-N 2.86Å; M698-C700 PolarHBondContact O-N 3.27Å; M698-T701 WeakPolarHBondContact O-CB 3.31Å; M698-T701 VanDerWaalsContact O-CG2 3.29Å; M698-T701 WeakPolarHBondContact O-CG2 3.28Å; M698-T701 PolarHBondContact O-N 2.84Å; M698-T701 PolarHBondContact O-OG1 3.4Å
699	M	76	Confident	68.2	Low	38 Å²	38	39.1 Å²	39.1	19%	0.187	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-19.7	178.6	-68.6	-70.7	-75	0	0	113.2	W607 F695 A696 T701 Y719 V723 I726	W607-M699 HydrophobicContact CH2-CE 4.13Å; W607-M699 HydrophobicContact CH2-SD 3.4Å; W607-M699 WeakPolarHBondContact CH2-SD 3.25Å; W607-M699 HydrophobicContact CZ2-CE 4.45Å; W607-M699 HydrophobicContact CZ2-SD 4.09Å; W607-M699 HydrophobicContact CZ3-SD 3.81Å; F695-M699 HydrophobicContact CD2-CG 4.21Å; F695-M699 HydrophobicContact CE2-CG 3.73Å; F695-M699 HydrophobicContact CE2-SD 4.23Å; F695-M699 HydrophobicContact CZ-CG 3.96Å; F695-M699 VanDerWaalsContact O-CG 3.32Å; F695-M699 WeakPolarHBondContact O-CG 3.35Å; F695-M699 PolarHBondContact O-N 3.4Å; F695-M699 VanDerWaalsContact O-N 3.08Å; A696-M699 PolarHBondContact O-N 3.47Å; A696-M699 VanDerWaalsContact O-N 3.09Å; M699-T701 VanDerWaalsContact C-N 3.26Å; M699-T701 PolarHBondContact O-N 3.12Å; M699-Y719 HydrophobicContact CE-CD1 4.26Å; M699-Y719 HydrophobicContact CE-CE1 4.37Å; M699-V723 HydrophobicContact CB-CG2 3.17Å; M699-V723 HydrophobicContact CE-CG2 4.49Å; M699-V723 HydrophobicContact CG-CG2 3.7Å; M699-I726 HydrophobicContact CE-CD1 3.98Å
700	C	68	Low	65.7	Low	34 Å²	34	37.7 Å²	37.7	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.3	171	-49.8	0	0	0	0	113.3	C148 A696 K697 M698 R702	C148-C700 WeakPolarHBondContact CA-SG 3.37Å; C148-C700 HydrophobicContact CB-CB 3.8Å; C148-C700 WeakPolarHBondContact CB-SG 3.15Å; C148-C700 WeakPolarHBondContact SG-CB 3.46Å; C148-C700 CovalentContact SG-SG 2.03Å; C148-C700 PolarHBondContact SG-SG 3.07Å; A696-C700 PolarHBondContact O-N 3.29Å; A696-C700 PolarHBondContact O-SG 2.85Å; K697-C700 WeakPolarHBondContact O-CB 3.46Å; K697-C700 PolarHBondContact O-N 3.37Å; M698-C700 PolarHBondContact O-N 3.27Å; C700-R702 PolarHBondContact O-N 3.3Å
701	T	60.7	Low	63.2	Low	26 Å²	26	39.8 Å²	39.8	16%	0.16	21%	0.207	C	C	.	.	S	Bend	trans	-64.9	129.5	-176.8	61.6	0	0	0	0	110.5	F152 P590 M698 M699 Y703	F152-T701 HydrophobicContact CB-CG2 4.44Å; P590-T701 HydrophobicContact CB-CG2 4.46Å; P590-T701 HydrophobicContact CG-CG2 4.13Å; M698-T701 WeakPolarHBondContact O-CB 3.31Å; M698-T701 VanDerWaalsContact O-CG2 3.29Å; M698-T701 WeakPolarHBondContact O-CG2 3.28Å; M698-T701 PolarHBondContact O-N 2.84Å; M698-T701 PolarHBondContact O-OG1 3.4Å; M699-T701 VanDerWaalsContact C-N 3.26Å; M699-T701 PolarHBondContact O-N 3.12Å; T701-Y703 PolarHBondContact O-N 2.92Å
702	R	51.7	Low	60.3	Low	204 Å²	204	42 Å²	42	77%	0.77	22%	0.219	S	C	*	.			trans	-73	13.2	-169.4	-61.7	179	90	163.9	4.4	114.7	C700 S704	C700-R702 PolarHBondContact O-N 3.3Å; R702-S704 PolarHBondContact O-N 3.47Å; R702-S704 VanDerWaalsContact O-N 3.11Å
703	Y	50.7	Low	57.5	Low	34 Å²	34	51.7 Å²	51.7	13%	0.133	26%	0.264	C	S	.	.			trans	-68	113.4	170.7	-87.3	-64.6	0	0	0	108.6	A156 A157 Y591 T701 A705 V707	A156-Y703 PolarHBondContact O-OH 3.46Å; A157-Y703 WeakPolarHBondContact CA-OH 3.18Å; A157-Y703 HydrophobicContact CB-CD2 4.28Å; A157-Y703 HydrophobicContact CB-CE2 3.52Å; A157-Y703 VanDerWaalsContact O-CD2 3.31Å; A157-Y703 WeakPolarHBondContact O-CD2 3.49Å; A157-Y703 WeakPolarHBondContact O-CE1 3.46Å; A157-Y703 WeakPolarHBondContact O-CE2 3.21Å; Y591-Y703 HydrophobicContact CE2-CD2 4.44Å; Y591-Y703 WeakPolarHBondContact OH-CD2 3.29Å; T701-Y703 PolarHBondContact O-N 2.92Å; Y703-A705 PolarHBondContact O-N 3.01Å; Y703-V707 HydrophobicContact CD1-CB 4.5Å; Y703-V707 HydrophobicContact CD1-CG2 3.99Å
704	S	40.6	Very low	54.7	Low	57 Å²	57	52.2 Å²	52.2	40%	0.399	27%	0.267	S	S	.	.			trans	-56.8	142.3	176.4	72.2	0	0	0	0	108.2	R702 D706 V707	R702-S704 PolarHBondContact O-N 3.47Å; R702-S704 VanDerWaalsContact O-N 3.11Å; S704-D706 WeakPolarHBondContact CB-OD2 3.43Å; S704-D706 PolarHBondContact O-N 3.24Å; S704-D706 WeakPolarHBondContact OG-CB 3.34Å; S704-D706 PolarHBondContact OG-OD2 3.21Å; S704-V707 PolarHBondContact O-N 3.47Å
705	A	37.1	Very low	51.7	Low	11 Å²	11	56.8 Å²	56.8	9%	0.091	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-1	176	0	0	0	0	0	115	Y703 V707 S717 Y719	Y703-A705 PolarHBondContact O-N 3.01Å; A705-V707 PolarHBondContact O-N 2.95Å; A705-S717 WeakPolarHBondContact CB-O 3.48Å; A705-Y719 HydrophobicContact CB-CD2 3.32Å; A705-Y719 HydrophobicContact CB-CE2 3.96Å; A705-Y719 HydrophobicContact CB-CG 3.78Å
706	D	37.1	Very low	48.9	Very low	97 Å²	97	63.9 Å²	63.9	52%	0.519	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.5	166.1	-51.2	-51.7	0	0	0	112.6	S704 T709	S704-D706 WeakPolarHBondContact CB-OD2 3.43Å; S704-D706 PolarHBondContact O-N 3.24Å; S704-D706 WeakPolarHBondContact OG-CB 3.34Å; S704-D706 PolarHBondContact OG-OD2 3.21Å; D706-T709 VanDerWaalsContact O-CG2 3.29Å; D706-T709 WeakPolarHBondContact O-CG2 3.15Å
707	V	44.2	Very low	46.5	Very low	10 Å²	10	65.6 Å²	65.6	6%	0.061	35%	0.349	C	S	.	.	S	Bend	trans	-88.2	-31.7	-176.5	-175.1	0	0	0	0	112.3	M568 P569 Y703 S704 A705 T709	M568-V707 HydrophobicContact CB-CG1 4.28Å; M568-V707 HydrophobicContact CE-CG1 3.84Å; M568-V707 HydrophobicContact CE-CG2 4.48Å; P569-V707 HydrophobicContact CG-CG1 3.61Å; P569-V707 CarbonylContact O-C 3.57Å; Y703-V707 HydrophobicContact CD1-CB 4.5Å; Y703-V707 HydrophobicContact CD1-CG2 3.99Å; S704-V707 PolarHBondContact O-N 3.47Å; A705-V707 PolarHBondContact O-N 2.95Å; V707-T709 PolarHBondContact O-N 3.26Å
708	I	47.3	Very low	44.7	Very low	21 Å²	21	72.1 Å²	72.1	11%	0.108	37%	0.372	C	S	.	.	S	Bend	trans	-84.2	68.5	167.7	-57.8	179	0	0	0	107	F608 T710 Y719	F608-I708 HydrophobicContact CE1-CD1 3.5Å; F608-I708 HydrophobicContact CZ-CD1 3.85Å; I708-T710 PolarHBondContact O-N 2.96Å; I708-Y719 HydrophobicContact CB-CE2 4.49Å; I708-Y719 HydrophobicContact CD1-CE2 3.91Å; I708-Y719 WeakPolarHBondContact CD1-OH 3.3Å
709	T	43	Very low	43.5	Very low	61 Å²	61	75.2 Å²	75.2	37%	0.374	38%	0.384	S	S	.	.			trans	-66.8	90.2	163.7	54.9	0	0	0	0	107.2	D706 V707 N711	D706-T709 VanDerWaalsContact O-CG2 3.29Å; D706-T709 WeakPolarHBondContact O-CG2 3.15Å; V707-T709 PolarHBondContact O-N 3.26Å; T709-N711 PolarHBondContact O-N 3.04Å
710	T	39.3	Very low	42.8	Very low	23 Å²	23	77.2 Å²	77.2	14%	0.141	39%	0.391	C	S	.	.			trans	-60.6	132	145.4	35.5	0	0	0	0	104.9	I708 L712	I708-T710 PolarHBondContact O-N 2.96Å; T710-L712 HydrophobicContact CG2-CD1 4.33Å; T710-L712 PolarHBondContact O-N 3.47Å
711	N	39.1	Very low	43.1	Very low	107 Å²	107	76.3 Å²	76.3	57%	0.572	38%	0.384	S	S	*	.	S	Bend	trans	-65.3	29.4	173.4	-93.1	-16.9	0	0	0	112.6	P562 T709	P562-N711 WeakPolarHBondContact CG-ND2 3.44Å; T709-N711 PolarHBondContact O-N 3.04Å
712	L	31.8	Very low	44	Very low	48 Å²	48	77.1 Å²	77.1	25%	0.251	39%	0.391	S	S	.	.	S	Bend	trans	-81.3	126.1	168.8	-63.1	169.4	0	0	0	107	Y615 T710 S714	Y615-L712 HydrophobicContact CD1-CD1 4.38Å; Y615-L712 HydrophobicContact CD2-CD1 4.48Å; Y615-L712 HydrophobicContact CE1-CD1 3.55Å; Y615-L712 HydrophobicContact CE1-CD2 3.57Å; Y615-L712 HydrophobicContact CE1-CG 4.03Å; Y615-L712 HydrophobicContact CE2-CD1 3.67Å; Y615-L712 WeakPolarHBondContact OH-CD1 3.25Å; Y615-L712 WeakPolarHBondContact OH-CD2 3.19Å; T710-L712 HydrophobicContact CG2-CD1 4.33Å; T710-L712 PolarHBondContact O-N 3.47Å; L712-S714 PolarHBondContact O-N 3.28Å
713	Q	33	Very low	45.4	Very low	202 Å²	202	67.6 Å²	67.6	94%	0.944	36%	0.355	S	S	*	.	S	Bend	trans	-58.2	16.5	-175.2	-63.5	176.7	-26.9	0	0	115.6	S715	Q713-S715 PolarHBondContact O-N 3.23Å; Q713-S715 VanDerWaalsContact O-N 3.13Å
714	S	30.2	Very low	47.1	Very low	39 Å²	39	66.6 Å²	66.6	27%	0.273	35%	0.352	S	S	.	.			trans	-83.2	87.7	171	60.1	0	0	0	0	110.9	L712 N716	L712-S714 PolarHBondContact O-N 3.28Å; S714-N716 PolarHBondContact O-N 2.81Å
715	S	25.2	Very low	49.4	Very low	109 Å²	109	65.6 Å²	65.6	76%	0.762	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	132.6	147.8	53.5	0	0	0	0	110.7	Q713	Q713-S715 PolarHBondContact O-N 3.23Å; Q713-S715 VanDerWaalsContact O-N 3.13Å
716	N	29.7	Very low	51.9	Low	149 Å²	149	65.2 Å²	65.2	80%	0.797	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	14.8	169.9	-81.4	-13.9	0	0	0	121.4	S714 R718	S714-N716 PolarHBondContact O-N 2.81Å; N716-R718 PolarHBondContact O-N 2.72Å
717	S	32.4	Very low	54.5	Low	35 Å²	35	60.6 Å²	60.6	25%	0.245	31%	0.313	C	S	.	.			trans	-81.2	87.8	178.2	55.1	0	0	0	0	113.4	A705	A705-S717 WeakPolarHBondContact CB-O 3.48Å
718	R	41.8	Very low	56.7	Low	199 Å²	199	61.1 Å²	61.1	75%	0.751	31%	0.314	S	S	*	.			trans	-41.7	145.1	145.2	-129.3	179.5	-68.6	178.1	-0.2	108.1	N716 K720	N716-R718 PolarHBondContact O-N 2.72Å; R718-K720 VanDerWaalsContact C-N 3.28Å; R718-K720 WeakPolarHBondContact O-CG 3.4Å; R718-K720 PolarHBondContact O-N 2.93Å
719	Y	53.8	Low	58.9	Low	75 Å²	75	60.1 Å²	60.1	29%	0.294	31%	0.309	S	S	.	.			trans	-62.6	98.2	174.6	-100	-74	0	0	0	104.9	W607 R611 M699 A705 I708 F721	W607-Y719 HydrophobicContact CH2-CE1 4.47Å; R611-Y719 PolarHBondContact NH1-OH 3.32Å; M699-Y719 HydrophobicContact CE-CD1 4.26Å; M699-Y719 HydrophobicContact CE-CE1 4.37Å; A705-Y719 HydrophobicContact CB-CD2 3.32Å; A705-Y719 HydrophobicContact CB-CE2 3.96Å; A705-Y719 HydrophobicContact CB-CG 3.78Å; I708-Y719 HydrophobicContact CB-CE2 4.49Å; I708-Y719 HydrophobicContact CD1-CE2 3.91Å; I708-Y719 WeakPolarHBondContact CD1-OH 3.3Å; Y719-F721 VanDerWaalsContact C-N 3.26Å; Y719-F721 PolarHBondContact O-N 3.39Å
720	K	63.1	Low	61.3	Low	80 Å²	80	57.4 Å²	57.4	35%	0.348	29%	0.293	S	S	.	.			trans	-77.1	-23.9	-166.4	-56.7	-172.1	175.5	161	0	111.4	Y657 D661 R718	Y657-K720 HydrophobicContact CD1-CD 4.15Å; Y657-K720 HydrophobicContact CE1-CB 3.66Å; Y657-K720 HydrophobicContact CE1-CD 3.68Å; Y657-K720 HydrophobicContact CE1-CG 4.29Å; Y657-K720 PolarHBondContact OH-O 3.22Å; D661-K720 IonicContact OD1-NZ 2.93Å; D661-K720 PolarHBondContact OD1-NZ 3.23Å; D661-K720 IonicContact OD2-NZ 2.61Å; D661-K720 PolarHBondContact OD2-NZ 3.34Å; R718-K720 VanDerWaalsContact C-N 3.28Å; R718-K720 WeakPolarHBondContact O-CG 3.4Å; R718-K720 PolarHBondContact O-N 2.93Å
721	F	74.1	Confident	63.9	Low	16 Å²	16	59.8 Å²	59.8	7%	0.07	30%	0.302	C	S	.	.	S	Bend	trans	-104.2	132.5	-175.7	-49.6	-69.5	0	0	0	111.3	F654 Y657 D661 L665 Y719 E725	F654-F721 HydrophobicContact CD1-CD1 4.1Å; F654-F721 AromaticContact CD1-CE1 3.82Å; F654-F721 HydrophobicContact CD1-CE1 3.82Å; F654-F721 AromaticContact CE1-CD1 3.74Å; F654-F721 HydrophobicContact CE1-CD1 3.74Å; F654-F721 AromaticContact CE1-CE1 3.94Å; F654-F721 HydrophobicContact CE1-CE1 3.94Å; Y657-F721 AromaticContact CD1-CE1 3.65Å; Y657-F721 HydrophobicContact CD1-CE1 3.65Å; Y657-F721 AromaticContact CD1-CZ 3.53Å; Y657-F721 HydrophobicContact CD1-CZ 3.53Å; Y657-F721 HydrophobicContact CD2-CE1 4.27Å; Y657-F721 HydrophobicContact CE1-CD1 4.28Å; Y657-F721 AromaticContact CE1-CE1 3.44Å; Y657-F721 HydrophobicContact CE1-CE1 3.44Å; Y657-F721 VanDerWaalsContact CE1-CE1 3.44Å; Y657-F721 AromaticContact CE1-CZ 3.64Å; Y657-F721 HydrophobicContact CE1-CZ 3.64Å; Y657-F721 HydrophobicContact CE2-CE1 4.08Å; Y657-F721 HydrophobicContact CG-CE1 4.04Å; Y657-F721 HydrophobicContact CG-CZ 4.14Å; Y657-F721 AromaticContact CZ-CE1 3.67Å; D661-F721 HydrophobicContact CB-CE2 4.32Å; D661-F721 HydrophobicContact CB-CZ 4.05Å; D661-F721 VanDerWaalsContact O-CE2 3.29Å; D661-F721 WeakPolarHBondContact O-CE2 3.39Å; L665-F721 HydrophobicContact CB-CD2 3.8Å; L665-F721 HydrophobicContact CB-CE1 4.42Å; L665-F721 HydrophobicContact CB-CE2 3.62Å; L665-F721 HydrophobicContact CB-CG 4.3Å; L665-F721 HydrophobicContact CB-CZ 3.93Å; L665-F721 HydrophobicContact CD1-CB 3.99Å; L665-F721 HydrophobicContact CD1-CD1 4.3Å; L665-F721 HydrophobicContact CD1-CD2 4.04Å; L665-F721 HydrophobicContact CD1-CG 3.83Å; L665-F721 HydrophobicContact CD2-CD1 3.89Å; L665-F721 HydrophobicContact CD2-CE1 3.84Å; L665-F721 HydrophobicContact CD2-CE2 4.5Å; L665-F721 HydrophobicContact CD2-CG 4.22Å; L665-F721 HydrophobicContact CD2-CZ 4.14Å; L665-F721 HydrophobicContact CG-CD1 4.49Å; L665-F721 HydrophobicContact CG-CD2 4.32Å; L665-F721 HydrophobicContact CG-CE2 4.46Å; L665-F721 HydrophobicContact CG-CG 4.33Å; Y719-F721 VanDerWaalsContact C-N 3.26Å; Y719-F721 PolarHBondContact O-N 3.39Å; F721-E725 WeakPolarHBondContact CA-OE2 3.48Å; F721-E725 HydrophobicContact CB-CB 4.41Å
722	S	78.1	Confident	66.4	Low	43 Å²	43	57.8 Å²	57.8	30%	0.301	29%	0.289	S	S	.	.			trans	-71.4	156.4	172.3	67.4	0	0	0	0	111.5	N724 E725 I726	S722-N724 PolarHBondContact O-N 3.05Å; S722-E725 PolarHBondContact N-OE2 3.39Å; S722-E725 WeakPolarHBondContact O-CB 3.06Å; S722-E725 PolarHBondContact O-N 3.27Å; S722-E725 VanDerWaalsContact O-N 3.07Å; S722-E725 VanDerWaalsContact OG-CG 3.31Å; S722-E725 WeakPolarHBondContact OG-CG 3.35Å; S722-E725 PolarHBondContact OG-N 2.79Å; S722-E725 PolarHBondContact OG-OE2 3.08Å; S722-I726 PolarHBondContact O-N 3.32Å
723	V	82.8	Confident	69.3	Low	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-53.6	-39.4	171.2	167.7	0	0	0	0	111.8	Y143 L144 F695 A696 M699 E725 I726 L727	Y143-V723 HydrophobicContact CD1-CG1 4.43Å; L144-V723 HydrophobicContact CD1-CB 3.93Å; L144-V723 HydrophobicContact CD2-CB 3.6Å; L144-V723 HydrophobicContact CD2-CG1 4.39Å; L144-V723 HydrophobicContact CD2-CG2 3.54Å; L144-V723 HydrophobicContact CG-CB 3.66Å; L144-V723 HydrophobicContact CG-CG1 4.32Å; L144-V723 HydrophobicContact CG-CG2 4.2Å; F695-V723 HydrophobicContact CD1-CG1 4.24Å; F695-V723 HydrophobicContact CE1-CG1 3.89Å; A696-V723 HydrophobicContact CB-CG1 3.91Å; M699-V723 HydrophobicContact CB-CG2 3.17Å; M699-V723 HydrophobicContact CE-CG2 4.49Å; M699-V723 HydrophobicContact CG-CG2 3.7Å; V723-E725 VanDerWaalsContact C-N 3.29Å; V723-E725 PolarHBondContact O-N 3.17Å; V723-I726 PolarHBondContact O-N 3.13Å; V723-I726 VanDerWaalsContact O-N 3.1Å; V723-L727 HydrophobicContact CG1-CD1 3.42Å; V723-L727 VanDerWaalsContact CG1-CD1 3.42Å; V723-L727 HydrophobicContact CG1-CG 3.84Å; V723-L727 WeakPolarHBondContact O-CG 3.44Å; V723-L727 PolarHBondContact O-N 3.45Å
724	N	86.4	Confident	72.1	Confident	14 Å²	14	46 Å²	46	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-36.2	179.4	-68.4	-15.7	0	0	0	112.1	D142 Y143 L144 S722 I726 L727 K728 M745	D142-N724 PolarHBondContact OD1-ND2 3.27Å; Y143-N724 WeakPolarHBondContact CB-OD1 3.29Å; Y143-N724 PolarHBondContact N-OD1 2.73Å; L144-N724 HydrophobicContact CD1-CB 4.5Å; L144-N724 PolarHBondContact N-OD1 2.82Å; S722-N724 PolarHBondContact O-N 3.05Å; N724-I726 PolarHBondContact O-N 2.93Å; N724-L727 PolarHBondContact O-N 3.49Å; N724-K728 WeakPolarHBondContact O-CB 3.34Å; N724-K728 WeakPolarHBondContact O-CG 3.39Å; N724-K728 PolarHBondContact O-N 3.05Å; N724-M745 HydrophobicContact CB-CE 4.21Å; N724-M745 HydrophobicContact CB-SD 3.76Å
725	E	87.5	Confident	75	Confident	36 Å²	36	48.9 Å²	48.9	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-23.7	175.8	-79.7	166	143.7	0	0	113	F654 F721 S722 V723 K728 H729	F654-E725 HydrophobicContact CE1-CB 4.1Å; F654-E725 HydrophobicContact CE1-CG 3.82Å; F654-E725 WeakPolarHBondContact CE1-OE1 3.46Å; F654-E725 HydrophobicContact CZ-CB 3.82Å; F654-E725 HydrophobicContact CZ-CG 3.77Å; F721-E725 WeakPolarHBondContact CA-OE2 3.48Å; F721-E725 HydrophobicContact CB-CB 4.41Å; S722-E725 PolarHBondContact N-OE2 3.39Å; S722-E725 WeakPolarHBondContact O-CB 3.06Å; S722-E725 PolarHBondContact O-N 3.27Å; S722-E725 VanDerWaalsContact O-N 3.07Å; S722-E725 VanDerWaalsContact OG-CG 3.31Å; S722-E725 WeakPolarHBondContact OG-CG 3.35Å; S722-E725 PolarHBondContact OG-N 2.79Å; S722-E725 PolarHBondContact OG-OE2 3.08Å; V723-E725 VanDerWaalsContact C-N 3.29Å; V723-E725 PolarHBondContact O-N 3.17Å; E725-K728 WeakPolarHBondContact O-CE 3.49Å; E725-H729 PolarHBondContact O-CD2 3.32Å
726	I	89.8	Confident	78.2	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-87.3	-51.9	174.1	-58.9	166.3	0	0	0	109.9	L665 D668 I669 L672 F695 M699 S722 V723 N724 K728 H729	L665-I726 HydrophobicContact CD1-CG1 4.01Å; D668-I726 HydrophobicContact CB-CD1 3.88Å; D668-I726 HydrophobicContact CB-CG1 4.17Å; I669-I726 HydrophobicContact CG1-CG2 4.29Å; L672-I726 HydrophobicContact CB-CG2 4.44Å; L672-I726 HydrophobicContact CD2-CG2 3.83Å; F695-I726 HydrophobicContact CE1-CG2 4.39Å; F695-I726 HydrophobicContact CZ-CB 4.4Å; F695-I726 HydrophobicContact CZ-CD1 3.88Å; F695-I726 HydrophobicContact CZ-CG2 4.11Å; M699-I726 HydrophobicContact CE-CD1 3.98Å; S722-I726 PolarHBondContact O-N 3.32Å; V723-I726 PolarHBondContact O-N 3.13Å; V723-I726 VanDerWaalsContact O-N 3.1Å; N724-I726 PolarHBondContact O-N 2.93Å; I726-K728 VanDerWaalsContact C-N 3.32Å; I726-K728 PolarHBondContact O-N 2.9Å; I726-H729 WeakPolarHBondContact O-CB 3.48Å; I726-H729 PolarHBondContact O-N 2.92Å; I726-H729 VanDerWaalsContact O-N 3.14Å
727	L	91.5	Very high	80.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-32.9	-173.3	-71.2	-178.8	0	0	0	113.7	Y143 L672 F692 F695 V723 N724 H729 S730 F733 M745	Y143-L727 HydrophobicContact CD1-CD1 3.37Å; Y143-L727 HydrophobicContact CE1-CD1 4.01Å; Y143-L727 HydrophobicContact CG-CD1 3.86Å; L672-L727 HydrophobicContact CD2-CD2 3.67Å; F692-L727 HydrophobicContact CD1-CD2 3.55Å; F692-L727 HydrophobicContact CE1-CD2 3.93Å; F695-L727 HydrophobicContact CD1-CD2 3.93Å; F695-L727 HydrophobicContact CD1-CG 4.41Å; F695-L727 HydrophobicContact CE1-CD2 3.96Å; F695-L727 HydrophobicContact CE1-CG 4.15Å; V723-L727 HydrophobicContact CG1-CD1 3.42Å; V723-L727 VanDerWaalsContact CG1-CD1 3.42Å; V723-L727 HydrophobicContact CG1-CG 3.84Å; V723-L727 WeakPolarHBondContact O-CG 3.44Å; V723-L727 PolarHBondContact O-N 3.45Å; N724-L727 PolarHBondContact O-N 3.49Å; L727-H729 PolarHBondContact O-N 3.41Å; L727-S730 PolarHBondContact O-N 3.41Å; L727-F733 HydrophobicContact CB-CD1 4.32Å; L727-F733 HydrophobicContact CB-CD2 4.45Å; L727-F733 HydrophobicContact CB-CE1 4.49Å; L727-F733 HydrophobicContact CB-CG 4.31Å; L727-F733 HydrophobicContact CD1-CD2 4.09Å; L727-F733 HydrophobicContact CD1-CE2 3.73Å; L727-F733 HydrophobicContact CD1-CZ 4.1Å; L727-F733 HydrophobicContact CD2-CD2 3.97Å; L727-F733 HydrophobicContact CD2-CE2 4.45Å; L727-F733 HydrophobicContact CD2-CG 4.34Å; L727-F733 HydrophobicContact CG-CD2 4.42Å; L727-F733 HydrophobicContact CG-CE2 4.5Å; L727-M745 HydrophobicContact CB-CE 3.52Å; L727-M745 HydrophobicContact CD1-CE 4.18Å; L727-M745 HydrophobicContact CG-CE 4.5Å
728	K	92	Very high	83.7	Confident	21 Å²	21	45.1 Å²	45.1	9%	0.091	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.8	177.8	70.9	177.3	178.1	172.4	0	113.1	F654 N724 E725 I726 P747 K750	F654-K728 VanDerWaalsContact CE2-NZ 3.32Å; N724-K728 WeakPolarHBondContact O-CB 3.34Å; N724-K728 WeakPolarHBondContact O-CG 3.39Å; N724-K728 PolarHBondContact O-N 3.05Å; E725-K728 WeakPolarHBondContact O-CE 3.49Å; I726-K728 VanDerWaalsContact C-N 3.32Å; I726-K728 PolarHBondContact O-N 2.9Å; K728-P747 HydrophobicContact CB-CG 4.15Å; K728-P747 HydrophobicContact CG-CG 4.47Å; K728-P747 WeakPolarHBondContact O-CD 3.49Å; K728-K750 PolarHBondContact O-NZ 3.22Å
729	H	93.2	Very high	85.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-17.9	178.1	-67.3	-74.8	0	0	0	113.9	Q651 I669 E725 I726 L727 C751 L752	Q651-H729 PolarHBondContact NE2-CE1 3.28Å; I669-H729 HydrophobicContact CD1-CB 4.36Å; I669-H729 VanDerWaalsContact CD1-CD2 3.41Å; I669-H729 WeakPolarHBondContact CD1-CD2 3.19Å; I669-H729 HydrophobicContact CG1-CB 4.33Å; I669-H729 HydrophobicContact CG2-CB 3.74Å; E725-H729 PolarHBondContact O-CD2 3.32Å; I726-H729 WeakPolarHBondContact O-CB 3.48Å; I726-H729 PolarHBondContact O-N 2.92Å; I726-H729 VanDerWaalsContact O-N 3.14Å; L727-H729 PolarHBondContact O-N 3.41Å; H729-C751 PolarHBondContact ND1-N 3.42Å; H729-L752 HydrophobicContact CB-CD2 3.93Å; H729-L752 WeakPolarHBondContact O-CD2 3.42Å
730	S	93.1	Very high	87.7	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.035	18%	0.181	C	C	.	.			trans	-81.1	124.8	176.3	172.8	0	0	0	0	110.8	L727 E732 F733 S734 K750	L727-S730 PolarHBondContact O-N 3.41Å; S730-E732 VanDerWaalsContact C-N 3.34Å; S730-E732 PolarHBondContact OG-N 3.34Å; S730-E732 PolarHBondContact OG-OE2 2.94Å; S730-F733 PolarHBondContact OG-N 2.96Å; S730-S734 PolarHBondContact O-OG 3.44Å; S730-K750 PolarHBondContact O-NZ 2.99Å
731	Q	92.5	Very high	89	Confident	72 Å²	72	37.3 Å²	37.3	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-75.2	-31.8	171.8	-176.1	58.1	51.9	0	0	110.8	S734 N735 K750	Q731-S734 WeakPolarHBondContact O-CB 3.48Å; Q731-S734 PolarHBondContact O-N 2.61Å; Q731-N735 PolarHBondContact NE2-OD1 2.85Å; Q731-N735 WeakPolarHBondContact O-CB 3.28Å; Q731-N735 PolarHBondContact O-N 2.71Å; Q731-N735 PolarHBondContact O-ND2 3.12Å; Q731-N735 PolarHBondContact O-OD1 3.49Å; Q731-K750 HydrophobicContact CB-CD 4.47Å
732	E	92.2	Very high	89.6	Confident	66 Å²	66	39 Å²	39	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-44.4	178.3	-58.1	77.9	-172.1	0	0	110.9	F676 S730 S734 N735 I736	F676-E732 HydrophobicContact CD1-CB 3.83Å; F676-E732 HydrophobicContact CD1-CG 3.82Å; F676-E732 HydrophobicContact CE1-CB 3.44Å; F676-E732 VanDerWaalsContact CE1-CB 3.44Å; F676-E732 HydrophobicContact CE1-CG 3.58Å; F676-E732 HydrophobicContact CZ-CB 4.05Å; S730-E732 VanDerWaalsContact C-N 3.34Å; S730-E732 PolarHBondContact OG-N 3.34Å; S730-E732 PolarHBondContact OG-OE2 2.94Å; E732-S734 PolarHBondContact O-N 2.71Å; E732-N735 PolarHBondContact O-N 3.12Å; E732-I736 WeakPolarHBondContact O-CB 3.45Å; E732-I736 WeakPolarHBondContact O-CD1 3.47Å; E732-I736 WeakPolarHBondContact O-CG1 3.45Å; E732-I736 PolarHBondContact O-N 3.08Å
733	F	92.7	Very high	90.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-54.7	-52.7	171.3	175.3	-94.2	0	0	0	111	Y143 F692 L727 S730 N735 I736 H737 M745	Y143-F733 HydrophobicContact CD1-CE2 4.28Å; Y143-F733 AromaticContact CD2-CE2 3.73Å; Y143-F733 HydrophobicContact CD2-CE2 3.73Å; Y143-F733 AromaticContact CD2-CZ 3.67Å; Y143-F733 HydrophobicContact CD2-CZ 3.67Å; Y143-F733 HydrophobicContact CE1-CE2 4.35Å; Y143-F733 AromaticContact CE2-CE2 3.82Å; Y143-F733 HydrophobicContact CE2-CE2 3.82Å; Y143-F733 HydrophobicContact CE2-CZ 4.19Å; Y143-F733 AromaticContact CG-CE2 3.96Å; Y143-F733 HydrophobicContact CG-CE2 3.96Å; Y143-F733 AromaticContact CG-CZ 3.89Å; Y143-F733 HydrophobicContact CG-CZ 3.89Å; F692-F733 HydrophobicContact CB-CD2 4.19Å; F692-F733 HydrophobicContact CB-CE2 4.47Å; F692-F733 HydrophobicContact CD1-CB 4.39Å; F692-F733 AromaticContact CD1-CD2 3.84Å; F692-F733 HydrophobicContact CD1-CD2 3.84Å; F692-F733 HydrophobicContact CD2-CD2 4.17Å; F692-F733 HydrophobicContact CE1-CB 3.92Å; F692-F733 HydrophobicContact CE1-CD2 4.24Å; F692-F733 HydrophobicContact CE2-CB 4.28Å; F692-F733 AromaticContact CG-CD2 3.8Å; F692-F733 HydrophobicContact CG-CD2 3.8Å; F692-F733 HydrophobicContact CZ-CB 3.87Å; L727-F733 HydrophobicContact CB-CD1 4.32Å; L727-F733 HydrophobicContact CB-CD2 4.45Å; L727-F733 HydrophobicContact CB-CE1 4.49Å; L727-F733 HydrophobicContact CB-CG 4.31Å; L727-F733 HydrophobicContact CD1-CD2 4.09Å; L727-F733 HydrophobicContact CD1-CE2 3.73Å; L727-F733 HydrophobicContact CD1-CZ 4.1Å; L727-F733 HydrophobicContact CD2-CD2 3.97Å; L727-F733 HydrophobicContact CD2-CE2 4.45Å; L727-F733 HydrophobicContact CD2-CG 4.34Å; L727-F733 HydrophobicContact CG-CD2 4.42Å; L727-F733 HydrophobicContact CG-CE2 4.5Å; S730-F733 PolarHBondContact OG-N 2.96Å; F733-N735 VanDerWaalsContact C-N 3.26Å; F733-N735 PolarHBondContact O-N 2.91Å; F733-I736 PolarHBondContact O-N 2.89Å; F733-H737 AromaticContact CD2-CD2 3.46Å; F733-H737 VanDerWaalsContact CD2-CD2 3.46Å; F733-H737 WeakPolarHBondContact CD2-CD2 3.47Å; F733-H737 AromaticContact CD2-NE2 3.93Å; F733-H737 AromaticContact CE2-CD2 3.21Å; F733-H737 WeakPolarHBondContact CE2-CD2 3.37Å; F733-H737 AromaticContact CE2-NE2 3.54Å; F733-H737 AromaticContact CZ-CD2 3.68Å; F733-H737 PolarHBondContact O-CD2 3.23Å; F733-H737 PolarHBondContact O-N 3.07Å; F733-M745 HydrophobicContact CD1-CE 4.36Å; F733-M745 HydrophobicContact CE1-CB 3.95Å; F733-M745 HydrophobicContact CE1-CE 3.6Å; F733-M745 HydrophobicContact CE1-CG 4.48Å; F733-M745 HydrophobicContact CZ-CE 3.9Å
734	S	92.6	Very high	90.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-55.9	-41	177.5	-59.4	0	0	0	0	112.2	S730 Q731 E732 R738 C739 M745 N746 K750	S730-S734 PolarHBondContact O-OG 3.44Å; Q731-S734 WeakPolarHBondContact O-CB 3.48Å; Q731-S734 PolarHBondContact O-N 2.61Å; E732-S734 PolarHBondContact O-N 2.71Å; S734-R738 CarbonylContact O-C 3.5Å; S734-R738 VanDerWaalsContact O-CA 3.3Å; S734-R738 WeakPolarHBondContact O-CA 3.26Å; S734-R738 PolarHBondContact O-N 2.95Å; S734-C739 PolarHBondContact O-N 3.41Å; S734-M745 PolarHBondContact OG-O 2.94Å; S734-N746 VanDerWaalsContact CB-CG 3.43Å; S734-N746 WeakPolarHBondContact CB-OD1 3.5Å; S734-N746 VanDerWaalsContact OG-CB 3.29Å; S734-N746 WeakPolarHBondContact OG-CB 3.39Å; S734-N746 PolarHBondContact OG-OD1 3.01Å; S734-K750 PolarHBondContact OG-NZ 2.92Å
735	N	91.3	Very high	90.5	Very high	101 Å²	101	43.7 Å²	43.7	54%	0.54	24%	0.235	S	C	.	.	H	α-helix	trans	-69.8	-42.6	-179.2	-68.5	-13.9	0	0	0	111.9	Q731 E732 F733 R738	Q731-N735 PolarHBondContact NE2-OD1 2.85Å; Q731-N735 WeakPolarHBondContact O-CB 3.28Å; Q731-N735 PolarHBondContact O-N 2.71Å; Q731-N735 PolarHBondContact O-ND2 3.12Å; Q731-N735 PolarHBondContact O-OD1 3.49Å; E732-N735 PolarHBondContact O-N 3.12Å; F733-N735 VanDerWaalsContact C-N 3.26Å; F733-N735 PolarHBondContact O-N 2.91Å; N735-R738 PolarHBondContact O-N 2.85Å
736	I	90.7	Very high	90.8	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-40.1	-179.1	-75.4	158.6	0	0	0	111.5	F676 L685 K688 K689 F692 E732 F733	F676-I736 HydrophobicContact CE2-CD1 3.86Å; F676-I736 HydrophobicContact CZ-CD1 3.56Å; L685-I736 HydrophobicContact CD1-CG1 4.31Å; L685-I736 HydrophobicContact CD1-CG2 4.22Å; K688-I736 HydrophobicContact CB-CD1 3.73Å; K688-I736 HydrophobicContact CB-CG1 4.33Å; K688-I736 HydrophobicContact CD-CD1 4.41Å; K688-I736 HydrophobicContact CG-CD1 4.34Å; K689-I736 HydrophobicContact CB-CG2 4.48Å; K689-I736 HydrophobicContact CD-CG2 4.48Å; K689-I736 HydrophobicContact CG-CG2 3.45Å; K689-I736 VanDerWaalsContact CG-CG2 3.45Å; F692-I736 HydrophobicContact CD2-CD1 4.15Å; F692-I736 HydrophobicContact CE2-CD1 3.55Å; E732-I736 WeakPolarHBondContact O-CB 3.45Å; E732-I736 WeakPolarHBondContact O-CD1 3.47Å; E732-I736 WeakPolarHBondContact O-CG1 3.45Å; E732-I736 PolarHBondContact O-N 3.08Å; F733-I736 PolarHBondContact O-N 2.89Å
737	H	87.7	Confident	90.8	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.046	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4	177.4	-67.3	-74	0	0	0	113.3	D136 A139 C140 Y143 F733 C739	D136-H737 WeakPolarHBondContact CB-O 3.48Å; A139-H737 HydrophobicContact CB-CB 4.01Å; C140-H737 PolarHBondContact SG-O 2.73Å; Y143-H737 AromaticContact CE2-CE1 3.69Å; Y143-H737 AromaticContact CE2-NE2 3.74Å; F733-H737 AromaticContact CD2-CD2 3.46Å; F733-H737 VanDerWaalsContact CD2-CD2 3.46Å; F733-H737 WeakPolarHBondContact CD2-CD2 3.47Å; F733-H737 AromaticContact CD2-NE2 3.93Å; F733-H737 AromaticContact CE2-CD2 3.21Å; F733-H737 WeakPolarHBondContact CE2-CD2 3.37Å; F733-H737 AromaticContact CE2-NE2 3.54Å; F733-H737 AromaticContact CZ-CD2 3.68Å; F733-H737 PolarHBondContact O-CD2 3.23Å; F733-H737 PolarHBondContact O-N 3.07Å; H737-C739 VanDerWaalsContact C-N 3.26Å; H737-C739 PolarHBondContact O-N 3.18Å
738	R	90.2	Very high	90.7	Very high	188 Å²	188	51.7 Å²	51.7	71%	0.709	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	40.5	177.1	-56.3	176.5	177.9	167.3	0.6	113.3	S734 N735 S740	S734-R738 CarbonylContact O-C 3.5Å; S734-R738 VanDerWaalsContact O-CA 3.3Å; S734-R738 WeakPolarHBondContact O-CA 3.26Å; S734-R738 PolarHBondContact O-N 2.95Å; N735-R738 PolarHBondContact O-N 2.85Å; R738-S740 PolarHBondContact O-N 3.47Å
739	C	89.4	Confident	90.5	Very high	10 Å²	10	56.5 Å²	56.5	7%	0.068	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.3	125.3	178.9	-59.8	0	0	0	0	111.3	C140 S734 H737 N746	C140-C739 WeakPolarHBondContact CA-SG 3.22Å; C140-C739 HydrophobicContact CB-CB 3.74Å; C140-C739 WeakPolarHBondContact CB-SG 3.35Å; C140-C739 WeakPolarHBondContact SG-CA 3.32Å; C140-C739 WeakPolarHBondContact SG-CB 3.32Å; C140-C739 CovalentContact SG-SG 2.04Å; C140-C739 PolarHBondContact SG-SG 2.88Å; S734-C739 PolarHBondContact O-N 3.41Å; H737-C739 VanDerWaalsContact C-N 3.26Å; H737-C739 PolarHBondContact O-N 3.18Å; C739-N746 HydrophobicContact CB-CB 3.74Å; C739-N746 PolarHBondContact O-ND2 3.04Å
740	S	89.9	Confident	90.4	Very high	85 Å²	85	58.3 Å²	58.3	59%	0.594	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-60.4	144.7	176.6	55.5	0	0	0	0	111	R738 G742 S743	R738-S740 PolarHBondContact O-N 3.47Å; S740-G742 PolarHBondContact O-N 2.88Å; S740-S743 VanDerWaalsContact O-CB 3.29Å; S740-S743 WeakPolarHBondContact O-CB 3.4Å; S740-S743 PolarHBondContact O-N 2.9Å; S740-S743 PolarHBondContact O-OG 2.98Å
741	S	90.7	Very high	90.2	Very high	94 Å²	94	58.1 Å²	58.1	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	134	172.8	-163.9	0	0	0	0	110.4	S743	S741-S743 VanDerWaalsContact C-N 3.29Å; S741-S743 PolarHBondContact O-N 3.35Å
742	G	88.1	Confident	89.8	Confident	52 Å²	52	56.1 Å²	56.1	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-1.2	-178.3	0	0	0	0	0	115.1	S740 N746	S740-G742 PolarHBondContact O-N 2.88Å; G742-N746 WeakPolarHBondContact CA-O 3.42Å; G742-N746 PolarHBondContact N-O 3.32Å
743	S	88.7	Confident	89.1	Confident	21 Å²	21	53.4 Å²	53.4	15%	0.147	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-65.8	159.8	169	61	0	0	0	0	111	S740 S741 M745 N746	S740-S743 VanDerWaalsContact O-CB 3.29Å; S740-S743 WeakPolarHBondContact O-CB 3.4Å; S740-S743 PolarHBondContact O-N 2.9Å; S740-S743 PolarHBondContact O-OG 2.98Å; S741-S743 VanDerWaalsContact C-N 3.29Å; S741-S743 PolarHBondContact O-N 3.35Å; S743-M745 PolarHBondContact O-N 3.24Å; S743-M745 VanDerWaalsContact O-N 3.14Å; S743-N746 CarbonylContact O-C 3.58Å; S743-N746 WeakPolarHBondContact O-CA 3.47Å; S743-N746 PolarHBondContact O-N 3.42Å; S743-N746 WeakPolarHBondContact OG-CB 3.44Å; S743-N746 PolarHBondContact OG-N 3.18Å
744	K	87.4	Confident	87.8	Confident	137 Å²	137	55 Å²	55	60%	0.596	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.5	-178.1	-177.9	175	168.5	-164	0	113.1	V141	V141-K744 WeakPolarHBondContact O-CD 3.44Å
745	M	89.4	Confident	86	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.3	177.9	-60.7	-64.6	-66.2	0	0	113.9	A139 C140 N724 L727 F733 S734 S743 P747	A139-M745 WeakPolarHBondContact O-CG 3.32Å; C140-M745 WeakPolarHBondContact O-CG 3.27Å; C140-M745 PolarHBondContact O-N 2.89Å; N724-M745 HydrophobicContact CB-CE 4.21Å; N724-M745 HydrophobicContact CB-SD 3.76Å; L727-M745 HydrophobicContact CB-CE 3.52Å; L727-M745 HydrophobicContact CD1-CE 4.18Å; L727-M745 HydrophobicContact CG-CE 4.5Å; F733-M745 HydrophobicContact CD1-CE 4.36Å; F733-M745 HydrophobicContact CE1-CB 3.95Å; F733-M745 HydrophobicContact CE1-CE 3.6Å; F733-M745 HydrophobicContact CE1-CG 4.48Å; F733-M745 HydrophobicContact CZ-CE 3.9Å; S734-M745 PolarHBondContact OG-O 2.94Å; S743-M745 PolarHBondContact O-N 3.24Å; S743-M745 VanDerWaalsContact O-N 3.14Å; M745-P747 VanDerWaalsContact C-CD 3.49Å
746	N	92.8	Very high	83.6	Confident	14 Å²	14	59.4 Å²	59.4	8%	0.075	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-135.2	60.1	172.1	-167	29.4	0	0	0	111.4	S734 C739 G742 S743 K750	S734-N746 VanDerWaalsContact CB-CG 3.43Å; S734-N746 WeakPolarHBondContact CB-OD1 3.5Å; S734-N746 VanDerWaalsContact OG-CB 3.29Å; S734-N746 WeakPolarHBondContact OG-CB 3.39Å; S734-N746 PolarHBondContact OG-OD1 3.01Å; C739-N746 HydrophobicContact CB-CB 3.74Å; C739-N746 PolarHBondContact O-ND2 3.04Å; G742-N746 WeakPolarHBondContact CA-O 3.42Å; G742-N746 PolarHBondContact N-O 3.32Å; S743-N746 CarbonylContact O-C 3.58Å; S743-N746 WeakPolarHBondContact O-CA 3.47Å; S743-N746 PolarHBondContact O-N 3.42Å; S743-N746 WeakPolarHBondContact OG-CB 3.44Å; S743-N746 PolarHBondContact OG-N 3.18Å; N746-K750 WeakPolarHBondContact OD1-CE 3.48Å; N746-K750 PolarHBondContact OD1-NZ 3.1Å
747	P	91.7	Very high	80.8	Confident	33 Å²	33	66.8 Å²	66.8	21%	0.214	38%	0.38	C	S	.	.			trans	-64.2	153.3	175.5	30.4	-36.4	0	0	0	110.4	K728 M745	K728-P747 HydrophobicContact CB-CG 4.15Å; K728-P747 HydrophobicContact CG-CG 4.47Å; K728-P747 WeakPolarHBondContact O-CD 3.49Å; M745-P747 VanDerWaalsContact C-CD 3.49Å
748	E	89.1	Confident	80.4	Confident	158 Å²	158	69.6 Å²	69.6	74%	0.738	40%	0.397	S	S	*	.	S	Bend	trans	-65.3	-39.9	177.9	-62.7	-176.7	167.3	0	0	111.6	K750	E748-K750 PolarHBondContact O-N 3.22Å
749	N	87.4	Confident	79.9	Confident	123 Å²	123	63.4 Å²	63.4	66%	0.658	38%	0.381	S	S	*	.			trans	-89.9	91.6	-178.2	-65.7	-15.6	0	0	0	111.5	Q651	Q651-N749 PolarHBondContact NE2-O 2.71Å; Q651-N749 VanDerWaalsContact NE2-O 3.11Å
750	K	91.1	Very high	79.4	Confident	37 Å²	37	66.3 Å²	66.3	16%	0.161	40%	0.398	C	S	.	.			trans	-95.7	115.4	173.5	-66.2	175.4	-179.2	-82.5	0	110.6	K728 S730 Q731 S734 N746 E748 L752	K728-K750 PolarHBondContact O-NZ 3.22Å; S730-K750 PolarHBondContact O-NZ 2.99Å; Q731-K750 HydrophobicContact CB-CD 4.47Å; S734-K750 PolarHBondContact OG-NZ 2.92Å; N746-K750 WeakPolarHBondContact OD1-CE 3.48Å; N746-K750 PolarHBondContact OD1-NZ 3.1Å; E748-K750 PolarHBondContact O-N 3.22Å; K750-L752 HydrophobicContact CB-CD1 4.45Å; K750-L752 HydrophobicContact CB-CG 4.35Å; K750-L752 PolarHBondContact O-N 2.94Å
751	C	89.1	Confident	78.8	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.014	39%	0.386	C	S	.	.			trans	-83.5	101.2	175.1	-53.4	0	0	0	0	112	Q644 C647 L648 Q651 H729	Q644-C751 HydrophobicContact CG-CB 4.14Å; Q644-C751 PolarHBondContact NE2-O 3.05Å; C647-C751 HydrophobicContact CB-CB 3.71Å; C647-C751 WeakPolarHBondContact CB-SG 3.48Å; C647-C751 PolarHBondContact O-SG 3.38Å; C647-C751 WeakPolarHBondContact SG-CA 3.42Å; C647-C751 WeakPolarHBondContact SG-CB 3.37Å; C647-C751 CovalentContact SG-SG 2.04Å; C647-C751 PolarHBondContact SG-SG 2.88Å; L648-C751 HydrophobicContact CD2-CB 3.75Å; L648-C751 HydrophobicContact CG-CB 3.93Å; L648-C751 PolarHBondContact N-SG 3.43Å; Q651-C751 PolarHBondContact NE2-SG 3.36Å; Q651-C751 VanDerWaalsContact NE2-SG 3.45Å; H729-C751 PolarHBondContact ND1-N 3.42Å
752	L	83.6	Confident	78	Confident	29 Å²	29	63.4 Å²	63.4	15%	0.152	37%	0.369	C	S	.	.			trans	-121.4	142	-177.1	-60.5	179.4	0	0	0	110.8	I669 M673 H729 K750	I669-L752 HydrophobicContact CG2-CD2 3.69Å; M673-L752 HydrophobicContact CE-CD1 3.66Å; M673-L752 HydrophobicContact CE-CD2 4.01Å; M673-L752 HydrophobicContact CE-CG 4.3Å; M673-L752 HydrophobicContact SD-CB 4.44Å; M673-L752 HydrophobicContact SD-CD1 4.09Å; M673-L752 HydrophobicContact SD-CD2 3.23Å; M673-L752 WeakPolarHBondContact SD-CD2 3.27Å; M673-L752 HydrophobicContact SD-CG 4.08Å; H729-L752 HydrophobicContact CB-CD2 3.93Å; H729-L752 WeakPolarHBondContact O-CD2 3.42Å; K750-L752 HydrophobicContact CB-CD1 4.45Å; K750-L752 HydrophobicContact CB-CG 4.35Å; K750-L752 PolarHBondContact O-N 2.94Å
753	L	77.2	Confident	77.3	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.052	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	134.2	162.8	-77.7	167.2	0	0	0	108.7	M614 N618 D640 Q644 N670 S755	M614-L753 HydrophobicContact CE-CD1 4.13Å; N618-L753 WeakPolarHBondContact ND2-CD1 3.29Å; D640-L753 VanDerWaalsContact C-CD2 3.45Å; D640-L753 HydrophobicContact CB-CD2 4Å; D640-L753 VanDerWaalsContact O-CD2 3.22Å; D640-L753 WeakPolarHBondContact O-CD2 3.28Å; Q644-L753 HydrophobicContact CB-CD2 3.9Å; Q644-L753 HydrophobicContact CB-CG 4.11Å; Q644-L753 HydrophobicContact CG-CG 4.37Å; N670-L753 VanDerWaalsContact ND2-CD1 3.25Å; N670-L753 WeakPolarHBondContact ND2-CD1 3.4Å; N670-L753 WeakPolarHBondContact ND2-CG 3.46Å; N670-L753 WeakPolarHBondContact OD1-CB 3.41Å; N670-L753 PolarHBondContact OD1-N 3.35Å; L753-S755 PolarHBondContact O-N 3.12Å
754	W	65.7	Low	76.5	Confident	33 Å²	33	67.3 Å²	67.3	13%	0.125	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	32.1	167.7	-38	-48.7	0	0	0	116.1	L480 L484 M487 W489 M614 V617 N618	L480-W754 HydrophobicContact CD1-CE3 4.26Å; L480-W754 HydrophobicContact CD1-CH2 3.78Å; L480-W754 HydrophobicContact CD1-CZ3 3.29Å; L484-W754 HydrophobicContact CD2-CD2 4.21Å; L484-W754 HydrophobicContact CD2-CE3 4.35Å; L484-W754 HydrophobicContact CD2-CH2 4.25Å; L484-W754 HydrophobicContact CD2-CZ2 4.12Å; L484-W754 HydrophobicContact CD2-CZ3 4.36Å; M487-W754 HydrophobicContact CE-CB 3.03Å; M487-W754 HydrophobicContact CE-CD2 3.85Å; M487-W754 HydrophobicContact CE-CE3 3.94Å; M487-W754 HydrophobicContact CE-CG 3.55Å; M487-W754 HydrophobicContact CG-CB 4.5Å; M487-W754 HydrophobicContact SD-CB 3.51Å; M487-W754 VanDerWaalsContact SD-CB 3.51Å; M487-W754 HydrophobicContact SD-CD2 4.46Å; M487-W754 HydrophobicContact SD-CG 3.83Å; W489-W754 AromaticContact CH2-CD1 3.87Å; W489-W754 HydrophobicContact CZ2-CB 4.21Å; W489-W754 AromaticContact CZ2-CD1 3.8Å; W489-W754 HydrophobicContact CZ2-CG 4.41Å; M614-W754 HydrophobicContact CE-CE3 3.76Å; M614-W754 HydrophobicContact CE-CH2 3.24Å; M614-W754 HydrophobicContact CE-CZ2 4.07Å; M614-W754 HydrophobicContact CE-CZ3 3.05Å; M614-W754 HydrophobicContact SD-CE3 4.42Å; M614-W754 HydrophobicContact SD-CH2 3.7Å; M614-W754 HydrophobicContact SD-CZ3 3.37Å; M614-W754 WeakPolarHBondContact SD-CZ3 3.2Å; V617-W754 HydrophobicContact CG1-CH2 4.34Å; N618-W754 VanDerWaalsContact OD1-CZ2 3.22Å; N618-W754 WeakPolarHBondContact OD1-CZ2 3.19Å
755	S	54.6	Low	75.7	Confident	51 Å²	51	61.9 Å²	61.9	36%	0.357	36%	0.356	S	S	.	.			trans	-76	147.6	160.1	54.3	0	0	0	0	110	L753 A757	L753-S755 PolarHBondContact O-N 3.12Å; S755-A757 PolarHBondContact O-N 3.35Å
756	E	41.2	Very low	74.6	Confident	143 Å²	143	67 Å²	67	67%	0.668	39%	0.386	S	S	*	.			trans	-63.2	124.9	159	-66.9	-172.4	148.8	0	0	107.1
757	A	31.2	Very low	72.9	Confident	171 Å²	171	71.8 Å²	71.8	100%	1.413	41%	0.414	S	S	*	.			trans	-60.3	0	-176.6	0	0	0	0	0	113	S755	S755-A757 PolarHBondContact O-N 3.35Å

Retrieved 757 of 757 residues in 1224.4 ms (Link to these results)

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