A0A5K4F1D8_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1D8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 678 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	57	Low	70.2	Confident	212 Å²	212	120.5 Å²	120.5	100%	1.044	61%	0.61	S	S	*	*				0	-59.5	0	-82	177.8	124	0	0	112.1	Y3 V4 Q5	M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.42Å; M1-Y3 VanDerWaalsContact O-N 3.09Å; M1-V4 WeakPolarHBondContact O-CB 3.22Å; M1-V4 PolarHBondContact O-N 2.76Å; M1-Q5 PolarHBondContact O-N 2.89Å
2	V	59.5	Low	71.6	Confident	110 Å²	110	118.5 Å²	118.5	67%	0.667	60%	0.6	S	S	*	*	H	α-helix	trans	-42.7	-48.8	-177.3	-174.7	0	0	0	0	114.6	V4 Q5 C6	V2-V4 VanDerWaalsContact C-N 3.27Å; V2-V4 PolarHBondContact O-N 3.46Å; V2-Q5 WeakPolarHBondContact O-CB 3.26Å; V2-Q5 PolarHBondContact O-N 2.85Å; V2-C6 PolarHBondContact O-N 3.5Å
3	Y	56.9	Low	72.7	Confident	213 Å²	213	117.3 Å²	117.3	84%	0.835	60%	0.595	S	S	*	*	H	α-helix	trans	-56.5	-34.6	178.1	-111	-87.9	0	0	0	114.9	M1 F7	M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 PolarHBondContact O-N 3.42Å; M1-Y3 VanDerWaalsContact O-N 3.09Å; Y3-F7 WeakPolarHBondContact O-CB 3.38Å; Y3-F7 PolarHBondContact O-N 2.89Å; Y3-F7 VanDerWaalsContact O-N 3.1Å
4	V	68.4	Low	73.3	Confident	93 Å²	93	117.5 Å²	117.5	56%	0.564	60%	0.597	S	S	*	*	H	α-helix	trans	-72.8	-37	177.9	-178.3	0	0	0	0	110.3	M1 V2 F7 I8	M1-V4 WeakPolarHBondContact O-CB 3.22Å; M1-V4 PolarHBondContact O-N 2.76Å; V2-V4 VanDerWaalsContact C-N 3.27Å; V2-V4 PolarHBondContact O-N 3.46Å; V4-F7 PolarHBondContact O-N 3.07Å; V4-I8 HydrophobicContact CG1-CD1 3.98Å; V4-I8 VanDerWaalsContact O-CG1 3.29Å; V4-I8 WeakPolarHBondContact O-CG1 3.22Å; V4-I8 PolarHBondContact O-N 2.81Å
5	Q	63.5	Low	73.9	Confident	134 Å²	134	116.1 Å²	116.1	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-68.5	-43.7	178.4	-167.2	167	-11.9	0	0	111.4	M1 V2 F7 I8 Q9	M1-Q5 PolarHBondContact O-N 2.89Å; V2-Q5 WeakPolarHBondContact O-CB 3.26Å; V2-Q5 PolarHBondContact O-N 2.85Å; Q5-F7 VanDerWaalsContact C-N 3.34Å; Q5-F7 PolarHBondContact O-N 2.93Å; Q5-I8 PolarHBondContact O-N 2.91Å; Q5-Q9 WeakPolarHBondContact O-CB 3.3Å; Q5-Q9 PolarHBondContact O-N 3.22Å
6	C	69.7	Low	74.4	Confident	72 Å²	72	113.4 Å²	113.4	49%	0.486	58%	0.581	S	S	.	*	H	α-helix	trans	-59.7	-42.6	170.9	-67.5	0	0	0	0	112.1	V2 Q9 T10	V2-C6 PolarHBondContact O-N 3.5Å; C6-Q9 PolarHBondContact O-N 3.43Å; C6-T10 WeakPolarHBondContact O-CG2 3.2Å; C6-T10 PolarHBondContact O-N 3.34Å; C6-T10 PolarHBondContact O-OG1 2.91Å
7	F	75.9	Confident	74.6	Confident	148 Å²	148	116.8 Å²	116.8	65%	0.649	59%	0.587	S	S	*	*	H	α-helix	trans	-65.3	-39.3	179.4	-161	-85.2	0	0	0	112.5	Y3 V4 Q5 T10 T11	Y3-F7 WeakPolarHBondContact O-CB 3.38Å; Y3-F7 PolarHBondContact O-N 2.89Å; Y3-F7 VanDerWaalsContact O-N 3.1Å; V4-F7 PolarHBondContact O-N 3.07Å; Q5-F7 VanDerWaalsContact C-N 3.34Å; Q5-F7 PolarHBondContact O-N 2.93Å; F7-T10 PolarHBondContact O-OG1 3.46Å; F7-T11 VanDerWaalsContact O-CB 3.32Å; F7-T11 WeakPolarHBondContact O-CB 3.25Å; F7-T11 PolarHBondContact O-N 3.22Å; F7-T11 PolarHBondContact O-OG1 3.35Å
8	I	80.5	Confident	74.4	Confident	94 Å²	94	113.7 Å²	113.7	48%	0.482	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-45.8	173.2	-69.7	164.2	0	0	0	110.1	V4 Q5 T11 I12	V4-I8 HydrophobicContact CG1-CD1 3.98Å; V4-I8 VanDerWaalsContact O-CG1 3.29Å; V4-I8 WeakPolarHBondContact O-CG1 3.22Å; V4-I8 PolarHBondContact O-N 2.81Å; Q5-I8 PolarHBondContact O-N 2.91Å; I8-T11 PolarHBondContact O-N 3.11Å; I8-I12 HydrophobicContact CG2-CD1 3.77Å; I8-I12 HydrophobicContact CG2-CG1 4.47Å; I8-I12 VanDerWaalsContact O-CG1 3.32Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 2.72Å
9	Q	77.8	Confident	74	Confident	119 Å²	119	114 Å²	114	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-66.5	-42.2	-177.5	-167.6	165.7	-7.8	0	0	112.7	Q5 C6 I12 I13	Q5-Q9 WeakPolarHBondContact O-CB 3.3Å; Q5-Q9 PolarHBondContact O-N 3.22Å; C6-Q9 PolarHBondContact O-N 3.43Å; Q9-I12 PolarHBondContact O-N 3.23Å; Q9-I13 HydrophobicContact CG-CD1 4.44Å; Q9-I13 WeakPolarHBondContact O-CG1 3.45Å; Q9-I13 PolarHBondContact O-N 3.09Å
10	T	80.6	Confident	73.4	Confident	76 Å²	76	115.3 Å²	115.3	47%	0.466	58%	0.58	S	S	.	*	H	α-helix	trans	-67.1	-35.1	173.8	55.5	0	0	0	0	112.5	C6 F7 I13 L14	C6-T10 WeakPolarHBondContact O-CG2 3.2Å; C6-T10 PolarHBondContact O-N 3.34Å; C6-T10 PolarHBondContact O-OG1 2.91Å; F7-T10 PolarHBondContact O-OG1 3.46Å; T10-I13 PolarHBondContact O-N 3.47Å; T10-L14 PolarHBondContact O-N 2.9Å
11	T	82.8	Confident	73.1	Confident	54 Å²	54	117 Å²	117	33%	0.331	58%	0.581	S	S	.	*	H	α-helix	trans	-66.3	-40.3	175	-53.5	0	0	0	0	111.4	F7 I8 L14 I15	F7-T11 VanDerWaalsContact O-CB 3.32Å; F7-T11 WeakPolarHBondContact O-CB 3.25Å; F7-T11 PolarHBondContact O-N 3.22Å; F7-T11 PolarHBondContact O-OG1 3.35Å; I8-T11 PolarHBondContact O-N 3.11Å; T11-L14 PolarHBondContact O-N 3.43Å; T11-I15 HydrophobicContact CG2-CD1 4.11Å; T11-I15 VanDerWaalsContact O-CG1 3.32Å; T11-I15 WeakPolarHBondContact O-CG1 3.24Å; T11-I15 PolarHBondContact O-N 3.44Å
12	I	86.4	Confident	73.2	Confident	97 Å²	97	109.9 Å²	109.9	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-62.3	-45.1	174.3	-70	165.6	0	0	0	110.7	I8 Q9 L14 I15 V16	I8-I12 HydrophobicContact CG2-CD1 3.77Å; I8-I12 HydrophobicContact CG2-CG1 4.47Å; I8-I12 VanDerWaalsContact O-CG1 3.32Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 2.72Å; Q9-I12 PolarHBondContact O-N 3.23Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 2.94Å; I12-I15 PolarHBondContact O-N 2.85Å; I12-I15 VanDerWaalsContact O-N 3.16Å; I12-V16 HydrophobicContact CG2-CG2 4.44Å; I12-V16 WeakPolarHBondContact O-CG2 3.4Å; I12-V16 PolarHBondContact O-N 3.42Å
13	I	85.5	Confident	72.6	Confident	103 Å²	103	110.6 Å²	110.6	53%	0.528	55%	0.545	S	S	.	.	H	α-helix	trans	-60.1	-42.9	177.5	-68.1	164.4	0	0	0	111	Q9 T10 I15 V16 Y17	Q9-I13 HydrophobicContact CG-CD1 4.44Å; Q9-I13 WeakPolarHBondContact O-CG1 3.45Å; Q9-I13 PolarHBondContact O-N 3.09Å; T10-I13 PolarHBondContact O-N 3.47Å; I13-I15 PolarHBondContact O-N 2.98Å; I13-V16 PolarHBondContact O-N 3.25Å; I13-Y17 WeakPolarHBondContact O-CB 3.36Å; I13-Y17 PolarHBondContact O-N 2.73Å
14	L	81.4	Confident	72	Confident	120 Å²	120	104.7 Å²	104.7	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-63.7	-37.2	175.2	-78.3	165.4	0	0	0	113	T10 T11 I12 Y17 S18	T10-L14 PolarHBondContact O-N 2.9Å; T11-L14 PolarHBondContact O-N 3.43Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 2.94Å; L14-Y17 PolarHBondContact O-N 2.83Å; L14-S18 WeakPolarHBondContact O-CB 3.42Å; L14-S18 PolarHBondContact O-N 2.91Å; L14-S18 PolarHBondContact O-OG 3.41Å
15	I	82.8	Confident	70.7	Confident	97 Å²	97	105.5 Å²	105.5	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-44.6	175.4	-68.8	165.1	0	0	0	110.5	T11 I12 I13 Y17 S18 M19	T11-I15 HydrophobicContact CG2-CD1 4.11Å; T11-I15 VanDerWaalsContact O-CG1 3.32Å; T11-I15 WeakPolarHBondContact O-CG1 3.24Å; T11-I15 PolarHBondContact O-N 3.44Å; I12-I15 PolarHBondContact O-N 2.85Å; I12-I15 VanDerWaalsContact O-N 3.16Å; I13-I15 PolarHBondContact O-N 2.98Å; I15-Y17 PolarHBondContact O-N 3.46Å; I15-S18 WeakPolarHBondContact CA-OG 3.46Å; I15-S18 PolarHBondContact O-N 3.35Å; I15-S18 PolarHBondContact O-OG 3.15Å; I15-M19 HydrophobicContact CG2-CG 4.47Å; I15-M19 WeakPolarHBondContact O-CB 3.45Å; I15-M19 WeakPolarHBondContact O-CG 3.46Å; I15-M19 PolarHBondContact O-N 2.98Å
16	V	81	Confident	69.5	Low	73 Å²	73	106.8 Å²	106.8	44%	0.442	54%	0.535	S	S	.	.	H	α-helix	trans	-61.5	-44.8	175	173.6	0	0	0	0	110.8	I12 I13 S18 M19 F20	I12-V16 HydrophobicContact CG2-CG2 4.44Å; I12-V16 WeakPolarHBondContact O-CG2 3.4Å; I12-V16 PolarHBondContact O-N 3.42Å; I13-V16 PolarHBondContact O-N 3.25Å; V16-S18 PolarHBondContact O-N 3.04Å; V16-M19 WeakPolarHBondContact O-CB 3.48Å; V16-M19 PolarHBondContact O-N 3.39Å; V16-F20 HydrophobicContact CG1-CD2 3.78Å; V16-F20 HydrophobicContact CG1-CE2 3.85Å; V16-F20 WeakPolarHBondContact O-CD2 3.49Å; V16-F20 PolarHBondContact O-N 3.43Å
17	Y	78.4	Confident	68	Low	171 Å²	171	111.2 Å²	111.2	67%	0.671	55%	0.548	S	S	*	.	H	α-helix	trans	-64	-39.8	179.9	-150.6	-89.9	0	0	0	112.6	I13 L14 I15 F20 Y21	I13-Y17 WeakPolarHBondContact O-CB 3.36Å; I13-Y17 PolarHBondContact O-N 2.73Å; L14-Y17 PolarHBondContact O-N 2.83Å; I15-Y17 PolarHBondContact O-N 3.46Å; Y17-F20 PolarHBondContact O-N 2.91Å; Y17-Y21 WeakPolarHBondContact O-CB 3.45Å; Y17-Y21 PolarHBondContact O-N 3.42Å
18	S	71.6	Confident	66	Low	61 Å²	61	108.8 Å²	108.8	43%	0.427	55%	0.55	S	S	.	.	H	α-helix	trans	-71.5	-32.7	174.9	52.8	0	0	0	0	113.3	L14 I15 V16 Y21 V22	L14-S18 WeakPolarHBondContact O-CB 3.42Å; L14-S18 PolarHBondContact O-N 2.91Å; L14-S18 PolarHBondContact O-OG 3.41Å; I15-S18 WeakPolarHBondContact CA-OG 3.46Å; I15-S18 PolarHBondContact O-N 3.35Å; I15-S18 PolarHBondContact O-OG 3.15Å; V16-S18 PolarHBondContact O-N 3.04Å; S18-Y21 PolarHBondContact O-N 3.46Å; S18-V22 WeakPolarHBondContact O-CB 3.09Å; S18-V22 VanDerWaalsContact O-CG2 3.3Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 3.23Å
19	M	66.4	Low	63.5	Low	119 Å²	119	112.4 Å²	112.4	59%	0.586	56%	0.564	S	S	*	*	H	α-helix	trans	-61.4	-48.3	168.5	-70.1	-92.3	92.5	0	0	111.1	I15 V16 Y21 V22 Q23	I15-M19 HydrophobicContact CG2-CG 4.47Å; I15-M19 WeakPolarHBondContact O-CB 3.45Å; I15-M19 WeakPolarHBondContact O-CG 3.46Å; I15-M19 PolarHBondContact O-N 2.98Å; V16-M19 WeakPolarHBondContact O-CB 3.48Å; V16-M19 PolarHBondContact O-N 3.39Å; M19-Y21 PolarHBondContact O-N 3.44Å; M19-V22 PolarHBondContact O-N 3.23Å; M19-Q23 WeakPolarHBondContact O-CB 3.46Å; M19-Q23 PolarHBondContact O-N 3.01Å
20	F	62.1	Low	61.2	Low	140 Å²	140	111.4 Å²	111.4	61%	0.614	57%	0.571	S	S	*	*	H	α-helix	trans	-61.8	-40.4	175.7	-89.8	-78.4	0	0	0	112.7	V16 Y17 Q23 C24	V16-F20 HydrophobicContact CG1-CD2 3.78Å; V16-F20 HydrophobicContact CG1-CE2 3.85Å; V16-F20 WeakPolarHBondContact O-CD2 3.49Å; V16-F20 PolarHBondContact O-N 3.43Å; Y17-F20 PolarHBondContact O-N 2.91Å; F20-Q23 WeakPolarHBondContact O-CB 3.26Å; F20-Q23 PolarHBondContact O-N 2.89Å; F20-C24 PolarHBondContact O-N 3.34Å; F20-C24 PolarHBondContact O-SG 3.49Å
21	Y	66.8	Low	58.9	Low	151 Å²	151	115.8 Å²	115.8	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-63.6	-45.5	177.8	-160.2	-87.2	0	0	0	112	Y17 S18 M19 Q23 C24 E25	Y17-Y21 WeakPolarHBondContact O-CB 3.45Å; Y17-Y21 PolarHBondContact O-N 3.42Å; S18-Y21 PolarHBondContact O-N 3.46Å; M19-Y21 PolarHBondContact O-N 3.44Å; Y21-Q23 VanDerWaalsContact C-N 3.27Å; Y21-Q23 PolarHBondContact O-N 2.85Å; Y21-C24 PolarHBondContact O-N 2.94Å; Y21-E25 PolarHBondContact O-N 3.37Å
22	V	58.3	Low	56.2	Low	63 Å²	63	121 Å²	121	38%	0.382	62%	0.617	S	S	.	*	H	α-helix	trans	-65.8	-29.5	175.3	171.9	0	0	0	0	112.1	S18 M19 K26	S18-V22 WeakPolarHBondContact O-CB 3.09Å; S18-V22 VanDerWaalsContact O-CG2 3.3Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 3.23Å; M19-V22 PolarHBondContact O-N 3.23Å; V22-K26 HydrophobicContact CG1-CD 4.41Å; V22-K26 WeakPolarHBondContact O-CG 3.39Å; V22-K26 PolarHBondContact O-N 3.05Å
23	Q	48.6	Very low	53.3	Low	125 Å²	125	123.4 Å²	123.4	58%	0.584	63%	0.631	S	S	*	*	H	α-helix	trans	-68.9	-39.1	173.6	-154.7	85.4	9.1	0	0	111.6	M19 F20 Y21 H27	M19-Q23 WeakPolarHBondContact O-CB 3.46Å; M19-Q23 PolarHBondContact O-N 3.01Å; F20-Q23 WeakPolarHBondContact O-CB 3.26Å; F20-Q23 PolarHBondContact O-N 2.89Å; Y21-Q23 VanDerWaalsContact C-N 3.27Å; Y21-Q23 PolarHBondContact O-N 2.85Å; Q23-H27 PolarHBondContact O-CD2 3.28Å
24	C	43.3	Very low	50.5	Low	88 Å²	88	128.7 Å²	128.7	60%	0.595	65%	0.65	S	S	*	*	H	α-helix	trans	-69.9	-45.9	176.9	-72.6	0	0	0	0	112.6	F20 Y21 K26 H27	F20-C24 PolarHBondContact O-N 3.34Å; F20-C24 PolarHBondContact O-SG 3.49Å; Y21-C24 PolarHBondContact O-N 2.94Å; C24-K26 VanDerWaalsContact C-N 3.28Å; C24-K26 PolarHBondContact O-N 3.07Å; C24-H27 PolarHBondContact O-N 3.34Å; C24-H27 VanDerWaalsContact O-N 3.09Å
25	E	42.1	Very low	47.8	Very low	111 Å²	111	130.2 Å²	130.2	52%	0.519	66%	0.659	S	S	.	*	H	α-helix	trans	-64.2	-33.8	-177	-162.3	166.6	-144.9	0	0	111.9	Y21 H27 S28	Y21-E25 PolarHBondContact O-N 3.37Å; E25-H27 VanDerWaalsContact C-N 3.25Å; E25-H27 PolarHBondContact O-N 3.46Å; E25-S28 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-OG 3.19Å
26	K	38.2	Very low	45	Very low	160 Å²	160	132 Å²	132	70%	0.696	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-9.8	174.8	-77.7	-176	176.5	-177.7	0	115.6	V22 C24	V22-K26 HydrophobicContact CG1-CD 4.41Å; V22-K26 WeakPolarHBondContact O-CG 3.39Å; V22-K26 PolarHBondContact O-N 3.05Å; C24-K26 VanDerWaalsContact C-N 3.28Å; C24-K26 PolarHBondContact O-N 3.07Å
27	H	36.8	Very low	42.2	Very low	165 Å²	165	135.1 Å²	135.1	76%	0.764	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	2.5	178	-86.2	-60.1	0	0	0	114.1	Q23 C24 E25	Q23-H27 PolarHBondContact O-CD2 3.28Å; C24-H27 PolarHBondContact O-N 3.34Å; C24-H27 VanDerWaalsContact O-N 3.09Å; E25-H27 VanDerWaalsContact C-N 3.25Å; E25-H27 PolarHBondContact O-N 3.46Å
28	S	35.1	Very low	39.8	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	69%	0.693	S	S	*	*	S	Bend	trans	-116.8	0.8	179.4	52.5	0	0	0	0	115.6	E25	E25-S28 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-OG 3.19Å
29	E	28.3	Very low	37.6	Very low	169 Å²	169	139.9 Å²	139.9	79%	0.79	71%	0.714	S	S	*	*	S	Bend	trans	-143.5	54.8	-171	-154.5	168.7	-137.3	0	0	114.9
30	S	28.9	Very low	36	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	72%	0.719	S	S	*	*	S	Bend	trans	-160.8	90.7	155.3	65.5	0	0	0	0	112.2
31	D	31.8	Very low	34.5	Very low	168 Å²	168	139.8 Å²	139.8	90%	0.898	73%	0.734	S	S	*	*			trans	-176.3	52	148.1	-92.9	-18.6	0	0	0	109.6
32	N	25.9	Very low	32.5	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	74%	0.739	S	S	*	*			trans	-134.6	63.3	173.8	-102.7	-25.4	0	0	0	108.8
33	D	25.9	Very low	30.9	Very low	147 Å²	147	144.5 Å²	144.5	79%	0.786	76%	0.758	S	S	*	*			trans	-165.5	80.9	161.3	-104.2	-22.9	0	0	0	111.3
34	F	28	Very low	29.8	Very low	214 Å²	214	145.5 Å²	145.5	94%	0.939	77%	0.768	S	S	*	*			trans	-137.6	57.8	159.2	-104.4	-74.4	0	0	0	110.9
35	N	22.7	Very low	29.2	Very low	152 Å²	152	146.6 Å²	146.6	81%	0.813	77%	0.774	S	S	*	*			trans	-97	89	159.6	-83.6	-36.9	0	0	0	109.3
36	D	24.3	Very low	28.4	Very low	135 Å²	135	149.1 Å²	149.1	72%	0.722	79%	0.786	S	S	*	*			trans	-169.5	119.8	137.1	-112.6	-8.5	0	0	0	113.5
37	I	23.4	Very low	27.8	Very low	139 Å²	139	149.8 Å²	149.8	71%	0.713	80%	0.796	S	S	*	*			trans	49.3	100.1	140.9	-49.8	158.8	0	0	0	118
38	T	27.5	Very low	27.2	Very low	144 Å²	144	148.8 Å²	148.8	88%	0.883	80%	0.801	S	S	*	*				-159.6	156.3	104.7	-8.7	0	0	0	0	113.6
39	E	25.3	Very low	26.7	Very low	188 Å²	188	155.5 Å²	155.5	88%	0.879	81%	0.811	S	S	*	*			trans	-71.2	171.8	-172.9	-96.6	-169.5	136.4	0	0	116.3
40	P	33.9	Very low	26.8	Very low	104 Å²	104	156.8 Å²	156.8	68%	0.675	82%	0.819	S	S	*	*				-114.3	148.6	-128.9	40.3	-34.6	0	0	0	116.6	L42	P40-L42 PolarHBondContact O-N 2.76Å
41	T	28.9	Very low	26.5	Very low	153 Å²	153	162 Å²	162	94%	0.939	83%	0.83	S	S	*	*			trans	-80.4	103.2	158.6	28.9	0	0	0	0	110.8
42	L	25.3	Very low	26.2	Very low	132 Å²	132	164 Å²	164	69%	0.691	83%	0.83	S	S	*	*			trans	-77.4	124	-179.8	-171.6	147	0	0	0	110.8	P40	P40-L42 PolarHBondContact O-N 2.76Å
43	F	25.1	Very low	26.1	Very low	181 Å²	181	159.7 Å²	159.7	79%	0.794	83%	0.825	S	S	*	*			trans	159.1	97.1	142.5	-92.9	-67.6	0	0	0	112.8
44	N	25.2	Very low	26.3	Very low	145 Å²	145	161 Å²	161	78%	0.775	83%	0.83	S	S	*	*				-162.5	88.2	121	-155.6	-12.5	0	0	0	111.6	Q46	N44-Q46 PolarHBondContact O-N 2.84Å
45	P	30.1	Very low	26.2	Very low	111 Å²	111	159.3 Å²	159.3	72%	0.721	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	72.2	-171.8	36.3	-34.9	0	0	0	113.1
46	Q	26	Very low	26.3	Very low	165 Å²	165	160.8 Å²	160.8	77%	0.771	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-11.6	173.6	-77	-100.1	3.3	0	0	114.5	N44	N44-Q46 PolarHBondContact O-N 2.84Å
47	L	25.2	Very low	27.2	Very low	174 Å²	174	159.8 Å²	159.8	91%	0.911	83%	0.827	S	S	*	*	S	Bend	trans	-108.9	37.8	-173.1	-120.8	79.1	0	0	0	115.9
48	V	24.4	Very low	27.3	Very low	143 Å²	143	158.3 Å²	158.3	87%	0.867	83%	0.829	S	S	*	*			trans	-134.7	65.5	171.7	-166.7	0	0	0	0	112.7
49	R	25.8	Very low	27.2	Very low	240 Å²	240	159.7 Å²	159.7	91%	0.906	83%	0.831	S	S	*	*			trans	-173.7	108.2	156.4	-100.3	172.9	-169.6	174	4.3	104.5
50	M	28.7	Very low	27.5	Very low	195 Å²	195	155 Å²	155	96%	0.961	82%	0.82	S	S	*	*			cis	-137.9	128.9	47.1	-60.7	178.2	-179.7	0	0	112.6
51	K	22.9	Very low	27.1	Very low	210 Å²	210	158.1 Å²	158.1	91%	0.913	83%	0.825	S	S	*	*			trans	-135.3	96.4	164.9	-179.5	179.4	-177.5	174.9	0	108.2
52	K	26.6	Very low	27.1	Very low	209 Å²	209	155.5 Å²	155.5	91%	0.909	81%	0.808	S	S	*	*			trans	-163	112.8	170.2	-161.6	171	-176	179.3	0	114
53	G	24	Very low	27.4	Very low	73 Å²	73	153.7 Å²	153.7	75%	0.753	80%	0.799	S	S	*	*			trans	76.3	135.9	174.7	0	0	0	0	0	112.9
54	I	29.9	Very low	27.7	Very low	174 Å²	174	151.1 Å²	151.1	89%	0.892	79%	0.792	S	S	*	*			cis	-126.7	164.1	22	-73.1	160.2	0	0	0	111.1
55	E	25.6	Very low	28.1	Very low	179 Å²	179	151.1 Å²	151.1	84%	0.836	79%	0.788	S	S	*	*			trans	-82.1	164	-173.4	-64.3	159.9	140.2	0	0	114.3
56	H	23.9	Very low	28	Very low	183 Å²	183	152 Å²	152	85%	0.847	78%	0.782	S	S	*	*			trans	-43.2	175.6	171	-67.9	-75.6	0	0	0	117.6
57	P	44.2	Very low	28.4	Very low	113 Å²	113	148.8 Å²	148.8	73%	0.734	77%	0.769	S	S	*	*			cis	-140.3	159.7	-33.8	35.2	-18.6	0	0	0	114.7
58	S	25.4	Very low	29.1	Very low	108 Å²	108	146.5 Å²	146.5	76%	0.755	75%	0.754	S	S	*	*			trans	-174.6	146.7	141.7	52.2	0	0	0	0	111	S60	S58-S60 PolarHBondContact O-N 3.13Å; S58-S60 VanDerWaalsContact O-N 3.08Å
59	D	25.7	Very low	29.8	Very low	173 Å²	173	145.3 Å²	145.3	93%	0.925	74%	0.739	S	S	*	*			trans	-53.8	112.9	173	-66.8	-63.9	0	0	0	111.8
60	S	30	Very low	30.4	Very low	91 Å²	91	140 Å²	140	64%	0.636	72%	0.724	S	S	*	*			trans	-129.1	114.1	152.7	56.4	0	0	0	0	106.8	S58 V62	S58-S60 PolarHBondContact O-N 3.13Å; S58-S60 VanDerWaalsContact O-N 3.08Å; S60-V62 PolarHBondContact O-N 3.25Å
61	H	26.2	Very low	30.8	Very low	169 Å²	169	136.8 Å²	136.8	78%	0.782	71%	0.707	S	S	*	*			trans	-61.8	102.2	165.4	-160.4	-90	0	0	0	105.7	D63	H61-D63 IonicContact CE1-OD1 2.65Å; H61-D63 IonicContact CG-OD1 3.3Å; H61-D63 IonicContact ND1-OD1 3.39Å; H61-D63 PolarHBondContact ND1-OD1 3.03Å; H61-D63 PolarHBondContact O-N 2.67Å; H61-D63 VanDerWaalsContact O-N 3.09Å
62	V	29.8	Very low	31.8	Very low	97 Å²	97	132.2 Å²	132.2	59%	0.588	69%	0.692	S	S	*	*			trans	-78.5	96.4	176.3	178.5	0	0	0	0	106.3	S60 I64 I67	S60-V62 PolarHBondContact O-N 3.25Å; V62-I64 PolarHBondContact O-N 2.93Å; V62-I67 HydrophobicContact CG1-CD1 4.1Å; V62-I67 HydrophobicContact CG1-CG1 4.43Å
63	D	29.8	Very low	32.6	Very low	94 Å²	94	127.1 Å²	127.1	50%	0.503	67%	0.674	S	S	.	*			trans	-60.4	124.2	-177.9	-65.1	-38.9	0	0	0	110.3	H61 E65 H66	H61-D63 IonicContact CE1-OD1 2.65Å; H61-D63 IonicContact CG-OD1 3.3Å; H61-D63 IonicContact ND1-OD1 3.39Å; H61-D63 PolarHBondContact ND1-OD1 3.03Å; H61-D63 PolarHBondContact O-N 2.67Å; H61-D63 VanDerWaalsContact O-N 3.09Å; D63-E65 PolarHBondContact O-N 2.79Å; D63-E65 VanDerWaalsContact O-N 3.1Å; D63-H66 PolarHBondContact O-N 3.47Å
64	I	31.4	Very low	33.4	Very low	128 Å²	128	128.9 Å²	128.9	66%	0.656	66%	0.663	S	S	*	*	H	α-helix	trans	-57	-29.7	-175.3	-65.6	169.5	0	0	0	111.1	V62 H66 I67 E68	V62-I64 PolarHBondContact O-N 2.93Å; I64-H66 VanDerWaalsContact C-N 3.28Å; I64-H66 PolarHBondContact O-N 3.09Å; I64-I67 PolarHBondContact O-N 2.9Å; I64-I67 VanDerWaalsContact O-N 3.12Å; I64-E68 PolarHBondContact O-N 3.3Å
65	E	33.4	Very low	34.4	Very low	144 Å²	144	123.5 Å²	123.5	67%	0.673	64%	0.638	S	S	*	*	H	α-helix	trans	-56.8	-34.8	175.9	-134	173.7	-158	0	0	113.5	D63 Q69	D63-E65 PolarHBondContact O-N 2.79Å; D63-E65 VanDerWaalsContact O-N 3.1Å; E65-Q69 WeakPolarHBondContact O-CG 3.36Å; E65-Q69 PolarHBondContact O-N 3.04Å
66	H	29.7	Very low	35.3	Very low	131 Å²	131	120.5 Å²	120.5	61%	0.606	63%	0.627	S	S	*	*	H	α-helix	trans	-75.1	-28.9	178.8	-120.4	53.8	0	0	0	112.7	D63 I64 Q70	D63-H66 PolarHBondContact O-N 3.47Å; I64-H66 VanDerWaalsContact C-N 3.28Å; I64-H66 PolarHBondContact O-N 3.09Å; H66-Q70 PolarHBondContact O-N 3.15Å
67	I	34.3	Very low	36.2	Very low	97 Å²	97	117.5 Å²	117.5	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-73.2	-42.5	176.9	-59.5	178.6	0	0	0	109.8	V62 I64 Q70 H71	V62-I67 HydrophobicContact CG1-CD1 4.1Å; V62-I67 HydrophobicContact CG1-CG1 4.43Å; I64-I67 PolarHBondContact O-N 2.9Å; I64-I67 VanDerWaalsContact O-N 3.12Å; I67-Q70 PolarHBondContact O-N 2.97Å; I67-H71 WeakPolarHBondContact O-CB 3.35Å; I67-H71 PolarHBondContact O-N 3.15Å
68	E	38.6	Very low	36.1	Very low	125 Å²	125	116.4 Å²	116.4	58%	0.584	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-39.6	177.4	-71.9	-168.3	149.7	0	0	113.1	I64 Q70 H71 N72	I64-E68 PolarHBondContact O-N 3.3Å; E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.48Å; E68-H71 PolarHBondContact O-N 3.4Å; E68-N72 WeakPolarHBondContact O-CB 3.48Å; E68-N72 PolarHBondContact O-N 3.45Å; E68-N72 PolarHBondContact O-ND2 2.75Å
69	Q	40.3	Very low	37	Very low	118 Å²	118	116.9 Å²	116.9	55%	0.551	59%	0.59	S	S	*	*	H	α-helix	trans	-61.6	-42	175.6	-75	-177.1	6.1	0	0	112.3	E65 L73	E65-Q69 WeakPolarHBondContact O-CG 3.36Å; E65-Q69 PolarHBondContact O-N 3.04Å; Q69-L73 PolarHBondContact O-N 3.45Å
70	Q	38	Very low	37.9	Very low	130 Å²	130	113.4 Å²	113.4	61%	0.607	57%	0.571	S	S	*	*	H	α-helix	trans	-70.3	-41.6	179	-163.8	164.3	-5.9	0	0	111.4	H66 I67 E68 N72 L73 E74	H66-Q70 PolarHBondContact O-N 3.15Å; I67-Q70 PolarHBondContact O-N 2.97Å; E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.48Å; Q70-N72 PolarHBondContact O-N 3.5Å; Q70-L73 PolarHBondContact O-N 2.98Å; Q70-E74 WeakPolarHBondContact O-CB 3.02Å; Q70-E74 PolarHBondContact O-N 2.91Å
71	H	37.8	Very low	38.3	Very low	127 Å²	127	113.8 Å²	113.8	59%	0.588	57%	0.565	S	S	*	*	H	α-helix	trans	-62.1	-43.6	176.9	-136.6	-62.6	0	0	0	112.2	I67 E68 L73 E74 T75	I67-H71 WeakPolarHBondContact O-CB 3.35Å; I67-H71 PolarHBondContact O-N 3.15Å; E68-H71 PolarHBondContact O-N 3.4Å; H71-L73 PolarHBondContact O-N 3.27Å; H71-E74 PolarHBondContact O-N 3.26Å; H71-T75 WeakPolarHBondContact O-CB 3.42Å; H71-T75 PolarHBondContact O-N 3.41Å; H71-T75 PolarHBondContact O-OG1 2.95Å
72	N	43.6	Very low	39.2	Very low	114 Å²	114	110 Å²	110	61%	0.61	55%	0.551	S	S	*	*	H	α-helix	trans	-64.7	-39	178.1	-77.5	-33	0	0	0	112.6	E68 Q70 L76	E68-N72 WeakPolarHBondContact O-CB 3.48Å; E68-N72 PolarHBondContact O-N 3.45Å; E68-N72 PolarHBondContact O-ND2 2.75Å; Q70-N72 PolarHBondContact O-N 3.5Å; N72-L76 WeakPolarHBondContact O-CB 3.42Å; N72-L76 PolarHBondContact O-N 2.93Å
73	L	42.4	Very low	39.9	Very low	101 Å²	101	110.8 Å²	110.8	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-71.7	-34.3	177.8	-163	77.1	0	0	0	112.3	Q69 Q70 H71 L76 K77	Q69-L73 PolarHBondContact O-N 3.45Å; Q70-L73 PolarHBondContact O-N 2.98Å; H71-L73 PolarHBondContact O-N 3.27Å; L73-L76 PolarHBondContact O-N 3.28Å; L73-K77 WeakPolarHBondContact O-CG 3.39Å; L73-K77 PolarHBondContact O-N 2.9Å
74	E	42	Very low	40.3	Very low	111 Å²	111	110.7 Å²	110.7	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-71.8	-43.2	176.8	-153.3	140.1	-125.2	0	0	110.6	Q70 H71 L76 K77 D78	Q70-E74 WeakPolarHBondContact O-CB 3.02Å; Q70-E74 PolarHBondContact O-N 2.91Å; H71-E74 PolarHBondContact O-N 3.26Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.81Å; E74-K77 WeakPolarHBondContact O-CB 3.26Å; E74-K77 PolarHBondContact O-N 2.78Å; E74-K77 VanDerWaalsContact O-N 3.13Å; E74-D78 PolarHBondContact O-N 3.43Å
75	T	49.2	Very low	40.4	Very low	60 Å²	60	111.2 Å²	111.2	37%	0.368	55%	0.548	S	S	.	.	H	α-helix	trans	-60.5	-36.8	170.3	-57.5	0	0	0	0	112.5	H71 D78 H79	H71-T75 WeakPolarHBondContact O-CB 3.42Å; H71-T75 PolarHBondContact O-N 3.41Å; H71-T75 PolarHBondContact O-OG1 2.95Å; T75-D78 PolarHBondContact O-N 3.13Å; T75-H79 PolarHBondContact O-CD2 2.96Å; T75-H79 VanDerWaalsContact O-CD2 3.28Å; T75-H79 PolarHBondContact O-N 3.37Å
76	L	45.2	Very low	40.9	Very low	116 Å²	116	109.8 Å²	109.8	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-64.8	-41.8	173.2	-166.8	82.7	0	0	0	112	N72 L73 E74 H79 L80	N72-L76 WeakPolarHBondContact O-CB 3.42Å; N72-L76 PolarHBondContact O-N 2.93Å; L73-L76 PolarHBondContact O-N 3.28Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.81Å; L76-H79 PolarHBondContact O-N 3.05Å; L76-L80 PolarHBondContact O-N 3.47Å
77	K	43.6	Very low	41.2	Very low	121 Å²	121	110 Å²	110	53%	0.526	55%	0.55	S	S	.	.	H	α-helix	trans	-65.6	-38.1	175.4	-76.8	176.1	-179.9	174.4	0	112.3	L73 E74 L80 N81	L73-K77 WeakPolarHBondContact O-CG 3.39Å; L73-K77 PolarHBondContact O-N 2.9Å; E74-K77 WeakPolarHBondContact O-CB 3.26Å; E74-K77 PolarHBondContact O-N 2.78Å; E74-K77 VanDerWaalsContact O-N 3.13Å; K77-L80 WeakPolarHBondContact O-CB 3.35Å; K77-L80 PolarHBondContact O-N 3.38Å; K77-N81 WeakPolarHBondContact O-CB 3.31Å; K77-N81 PolarHBondContact O-N 2.94Å; K77-N81 PolarHBondContact O-ND2 2.99Å
78	D	41	Very low	41	Very low	89 Å²	89	113.2 Å²	113.2	48%	0.476	56%	0.557	S	S	.	*	H	α-helix	trans	-69.3	-37	176.1	-74.7	-18.5	0	0	0	111.9	E74 T75 N81 N82	E74-D78 PolarHBondContact O-N 3.43Å; T75-D78 PolarHBondContact O-N 3.13Å; D78-N81 PolarHBondContact O-N 3.47Å; D78-N82 WeakPolarHBondContact O-CB 3.2Å; D78-N82 PolarHBondContact O-N 2.94Å; D78-N82 PolarHBondContact O-ND2 2.81Å
79	H	45.2	Very low	40.7	Very low	119 Å²	119	113.7 Å²	113.7	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-61.4	-41.7	167.8	-87.1	-66	0	0	0	112.3	T75 L76 N82 L83	T75-H79 PolarHBondContact O-CD2 2.96Å; T75-H79 VanDerWaalsContact O-CD2 3.28Å; T75-H79 PolarHBondContact O-N 3.37Å; L76-H79 PolarHBondContact O-N 3.05Å; H79-N82 PolarHBondContact O-N 3.12Å; H79-L83 WeakPolarHBondContact O-CB 3.25Å; H79-L83 WeakPolarHBondContact O-CG 3.31Å; H79-L83 PolarHBondContact O-N 3.02Å
80	L	43.9	Very low	40.4	Very low	100 Å²	100	114.5 Å²	114.5	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-64.8	-42.4	177.1	-157.5	81.2	0	0	0	112	L76 K77 L83 N84	L76-L80 PolarHBondContact O-N 3.47Å; K77-L80 WeakPolarHBondContact O-CB 3.35Å; K77-L80 PolarHBondContact O-N 3.38Å; L80-L83 PolarHBondContact O-N 3.12Å; L80-N84 PolarHBondContact O-N 2.9Å
81	N	38.5	Very low	39.9	Very low	98 Å²	98	114.8 Å²	114.8	52%	0.524	58%	0.577	S	S	.	*	H	α-helix	trans	-66.6	-39.8	176.1	-77.5	-27.1	0	0	0	112.1	K77 D78 N84 K85	K77-N81 WeakPolarHBondContact O-CB 3.31Å; K77-N81 PolarHBondContact O-N 2.94Å; K77-N81 PolarHBondContact O-ND2 2.99Å; D78-N81 PolarHBondContact O-N 3.47Å; N81-N84 PolarHBondContact O-N 3.32Å; N81-K85 WeakPolarHBondContact O-CB 3.46Å; N81-K85 PolarHBondContact O-N 3.17Å
82	N	45.1	Very low	39.5	Very low	90 Å²	90	115.9 Å²	115.9	48%	0.481	59%	0.587	S	S	.	*	H	α-helix	trans	-67.1	-40.1	174.7	-79.8	-34.3	0	0	0	112.1	D78 H79 K85 I86	D78-N82 WeakPolarHBondContact O-CB 3.2Å; D78-N82 PolarHBondContact O-N 2.94Å; D78-N82 PolarHBondContact O-ND2 2.81Å; H79-N82 PolarHBondContact O-N 3.12Å; N82-K85 PolarHBondContact O-N 2.88Å; N82-I86 WeakPolarHBondContact O-CB 3.37Å; N82-I86 WeakPolarHBondContact O-CD1 3.46Å; N82-I86 VanDerWaalsContact O-CG1 3.24Å; N82-I86 WeakPolarHBondContact O-CG1 3.4Å; N82-I86 PolarHBondContact O-N 2.74Å
83	L	45.6	Very low	38.9	Very low	113 Å²	113	118 Å²	118	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-60.6	-44.7	172.8	-79.4	162.8	0	0	0	111.6	H79 L80 K85 N87	H79-L83 WeakPolarHBondContact O-CB 3.25Å; H79-L83 WeakPolarHBondContact O-CG 3.31Å; H79-L83 PolarHBondContact O-N 3.02Å; L80-L83 PolarHBondContact O-N 3.12Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 2.93Å; L83-N87 PolarHBondContact O-N 3.05Å
84	N	37.6	Very low	38.2	Very low	92 Å²	92	121.9 Å²	121.9	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-62.5	-39	174.1	-78.6	-24	0	0	0	112.4	L80 N81 N87 Y88	L80-N84 PolarHBondContact O-N 2.9Å; N81-N84 PolarHBondContact O-N 3.32Å; N84-N87 PolarHBondContact O-N 3.07Å; N84-Y88 PolarHBondContact O-N 3.39Å
85	K	34	Very low	37.5	Very low	139 Å²	139	124.4 Å²	124.4	60%	0.604	63%	0.626	S	S	*	*	H	α-helix	trans	-68.8	-43.8	179.5	-164.6	179.3	-178.3	-173.5	0	112.5	N81 N82 L83 N87 Y88	N81-K85 WeakPolarHBondContact O-CB 3.46Å; N81-K85 PolarHBondContact O-N 3.17Å; N82-K85 PolarHBondContact O-N 2.88Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 2.93Å; K85-N87 PolarHBondContact O-N 2.83Å; K85-Y88 PolarHBondContact O-N 2.76Å; K85-Y88 VanDerWaalsContact O-N 3.11Å
86	I	43.4	Very low	36.7	Very low	115 Å²	115	127.4 Å²	127.4	59%	0.59	65%	0.645	S	S	*	*	H	α-helix	trans	-59.4	-29.8	175.4	-68.5	163	0	0	0	111.2	N82	N82-I86 WeakPolarHBondContact O-CB 3.37Å; N82-I86 WeakPolarHBondContact O-CD1 3.46Å; N82-I86 VanDerWaalsContact O-CG1 3.24Å; N82-I86 WeakPolarHBondContact O-CG1 3.4Å; N82-I86 PolarHBondContact O-N 2.74Å
87	N	36.2	Very low	36	Very low	135 Å²	135	126.9 Å²	126.9	72%	0.722	65%	0.646	S	S	*	*	H	α-helix	trans	-81	-14.3	-180	-141.5	14.2	0	0	0	114.2	L83 N84 K85	L83-N87 PolarHBondContact O-N 3.05Å; N84-N87 PolarHBondContact O-N 3.07Å; K85-N87 PolarHBondContact O-N 2.83Å
88	Y	30.7	Very low	35.8	Very low	165 Å²	165	125.9 Å²	125.9	65%	0.647	65%	0.646	S	S	*	*	H	α-helix	trans	-87.6	-32	177	-99.1	-82.7	0	0	0	113.6	N84 K85	N84-Y88 PolarHBondContact O-N 3.39Å; K85-Y88 PolarHBondContact O-N 2.76Å; K85-Y88 VanDerWaalsContact O-N 3.11Å
89	D	31.3	Very low	35.5	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	65%	0.65	S	S	*	*	H	α-helix	trans	-83.5	-13.7	-176.7	-75.7	-33.4	0	0	0	113.6	N91	D89-N91 PolarHBondContact O-N 3.35Å
90	N	33.7	Very low	35.3	Very low	135 Å²	135	127.9 Å²	127.9	72%	0.722	66%	0.657	S	S	*	*			trans	-102.1	50.5	-174.6	-128.7	-10.9	0	0	0	113.4
91	N	27.7	Very low	35.3	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	66%	0.656	S	S	*	*			trans	-63.7	135.2	169.4	-92.6	-54.1	0	0	0	110.8	D89	D89-N91 PolarHBondContact O-N 3.35Å
92	N	28.8	Very low	35.5	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	66%	0.658	S	S	*	*	S	Bend	trans	79.6	62.6	-177.5	-49	-44.5	0	0	0	117
93	N	31.7	Very low	35.3	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	66%	0.655	S	S	*	*	S	Bend		-157.5	116.3	128.7	-101.8	-41.7	0	0	0	113.3
94	K	28.3	Very low	35.3	Very low	184 Å²	184	127.5 Å²	127.5	80%	0.8	65%	0.652	S	S	*	*			trans	36.9	98.2	156	-157.7	174.9	-170.3	179.3	0	116.3	V96	K94-V96 VanDerWaalsContact C-N 3.31Å; K94-V96 PolarHBondContact O-N 3.4Å
95	I	27.8	Very low	35.6	Very low	163 Å²	163	128 Å²	128	84%	0.836	65%	0.654	S	S	*	*			trans	-56.9	90.4	170.2	-55.1	169.5	0	0	0	109.6	T97	I95-T97 HydrophobicContact CG2-CG2 4.06Å; I95-T97 PolarHBondContact O-N 3.23Å
96	V	31.3	Very low	35.9	Very low	124 Å²	124	126.6 Å²	126.6	75%	0.752	65%	0.65	S	S	*	*			trans	-82.6	106	159.1	177.7	0	0	0	0	104.6	K94 N98	K94-V96 VanDerWaalsContact C-N 3.31Å; K94-V96 PolarHBondContact O-N 3.4Å; V96-N98 PolarHBondContact O-N 3.41Å
97	T	31.4	Very low	35.9	Very low	104 Å²	104	123.8 Å²	123.8	64%	0.638	64%	0.644	S	S	*	*			trans	-60.4	98.1	-170.9	44.4	0	0	0	0	111.2	I95 H99	I95-T97 HydrophobicContact CG2-CG2 4.06Å; I95-T97 PolarHBondContact O-N 3.23Å; T97-H99 PolarHBondContact O-N 2.99Å
98	N	38.7	Very low	36.2	Very low	100 Å²	100	121.8 Å²	121.8	54%	0.535	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	39.8	173.3	-148.1	14.5	0	0	0	111.5	V96 D100 E101 L102	V96-N98 PolarHBondContact O-N 3.41Å; N98-D100 VanDerWaalsContact C-N 3.34Å; N98-E101 PolarHBondContact ND2-OE2 2.97Å; N98-E101 WeakPolarHBondContact OD1-CB 3.45Å; N98-E101 VanDerWaalsContact OD1-CG 3.26Å; N98-E101 WeakPolarHBondContact OD1-CG 3.49Å; N98-E101 PolarHBondContact OD1-OE2 3.1Å; N98-L102 PolarHBondContact O-N 2.6Å; N98-L102 VanDerWaalsContact O-N 3.09Å
99	H	34.5	Very low	36.9	Very low	118 Å²	118	118.1 Å²	118.1	55%	0.546	63%	0.631	S	S	.	*	H	α-helix	trans	-72.9	-31.7	-175.3	-131.5	48.1	0	0	0	110.7	T97 L102 N103	T97-H99 PolarHBondContact O-N 2.99Å; H99-L102 PolarHBondContact O-N 2.94Å; H99-N103 WeakPolarHBondContact O-CB 3.48Å; H99-N103 PolarHBondContact O-N 3.41Å; H99-N103 PolarHBondContact O-ND2 3.44Å; H99-N103 VanDerWaalsContact O-ND2 3.07Å
100	D	40.8	Very low	37.1	Very low	133 Å²	133	117.5 Å²	117.5	71%	0.711	63%	0.628	S	S	*	*	H	α-helix	trans	-66.4	-47.2	173.7	-65.4	-25.7	0	0	0	111.2	N98 L102 L104	N98-D100 VanDerWaalsContact C-N 3.34Å; D100-L102 PolarHBondContact O-N 2.76Å; D100-L104 WeakPolarHBondContact O-CB 3.5Å; D100-L104 PolarHBondContact O-N 2.84Å
101	E	44.2	Very low	37	Very low	106 Å²	106	117.4 Å²	117.4	50%	0.495	62%	0.623	S	S	.	*	H	α-helix	trans	-62.3	-42.4	174.4	-74.1	-166.3	159.5	0	0	111.9	N98 L104 L105	N98-E101 PolarHBondContact ND2-OE2 2.97Å; N98-E101 WeakPolarHBondContact OD1-CB 3.45Å; N98-E101 VanDerWaalsContact OD1-CG 3.26Å; N98-E101 WeakPolarHBondContact OD1-CG 3.49Å; N98-E101 PolarHBondContact OD1-OE2 3.1Å; E101-L104 PolarHBondContact O-N 3.33Å; E101-L105 VanDerWaalsContact O-CB 3.3Å; E101-L105 WeakPolarHBondContact O-CB 3.41Å; E101-L105 WeakPolarHBondContact O-CG 3.48Å; E101-L105 PolarHBondContact O-N 2.82Å
102	L	43.4	Very low	37.4	Very low	109 Å²	109	118 Å²	118	57%	0.571	63%	0.626	S	S	*	*	H	α-helix	trans	-66.6	-44.2	-179.2	-164.4	73.4	0	0	0	112.1	N98 H99 D100 L105 Q106	N98-L102 PolarHBondContact O-N 2.6Å; N98-L102 VanDerWaalsContact O-N 3.09Å; H99-L102 PolarHBondContact O-N 2.94Å; D100-L102 PolarHBondContact O-N 2.76Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-Q106 VanDerWaalsContact O-CB 3.25Å; L102-Q106 WeakPolarHBondContact O-CB 3.45Å; L102-Q106 PolarHBondContact O-N 2.9Å
103	N	40.3	Very low	37.8	Very low	77 Å²	77	117 Å²	117	41%	0.412	62%	0.62	S	S	.	*	H	α-helix	trans	-66.9	-37.2	177.2	-72.3	-32.4	0	0	0	111.7	H99 Q106 A107	H99-N103 WeakPolarHBondContact O-CB 3.48Å; H99-N103 PolarHBondContact O-N 3.41Å; H99-N103 PolarHBondContact O-ND2 3.44Å; H99-N103 VanDerWaalsContact O-ND2 3.07Å; N103-Q106 PolarHBondContact O-N 3.47Å; N103-A107 PolarHBondContact O-N 3.24Å
104	L	45.6	Very low	38.3	Very low	101 Å²	101	119.7 Å²	119.7	53%	0.529	62%	0.624	S	S	.	*	H	α-helix	trans	-70.1	-38.2	177.4	-151	80.6	0	0	0	112.1	D100 E101 A107 L108 M127	D100-L104 WeakPolarHBondContact O-CB 3.5Å; D100-L104 PolarHBondContact O-N 2.84Å; E101-L104 PolarHBondContact O-N 3.33Å; L104-A107 PolarHBondContact O-N 2.92Å; L104-L108 PolarHBondContact O-N 3.15Å; L104-M127 HydrophobicContact CD2-CE 3.98Å
105	L	42.9	Very low	38.8	Very low	103 Å²	103	115.6 Å²	115.6	54%	0.539	62%	0.619	S	S	.	*	H	α-helix	trans	-71.9	-33.5	173.6	-70.2	170	0	0	0	112.1	E101 L102 L108 S109	E101-L105 VanDerWaalsContact O-CB 3.3Å; E101-L105 WeakPolarHBondContact O-CB 3.41Å; E101-L105 WeakPolarHBondContact O-CG 3.48Å; E101-L105 PolarHBondContact O-N 2.82Å; L102-L105 PolarHBondContact O-N 2.88Å; L105-L108 HydrophobicContact CD2-CD1 4.24Å; L105-L108 WeakPolarHBondContact O-CB 3.34Å; L105-L108 PolarHBondContact O-N 2.94Å; L105-S109 PolarHBondContact O-N 3.36Å
106	Q	41	Very low	39.2	Very low	108 Å²	108	110.5 Å²	110.5	51%	0.505	59%	0.594	S	S	.	*	H	α-helix	trans	-68.7	-34.4	173.9	-167.8	170.4	27.6	0	0	112	L102 N103 L108 S109 N110	L102-Q106 VanDerWaalsContact O-CB 3.25Å; L102-Q106 WeakPolarHBondContact O-CB 3.45Å; L102-Q106 PolarHBondContact O-N 2.9Å; N103-Q106 PolarHBondContact O-N 3.47Å; Q106-L108 VanDerWaalsContact C-N 3.27Å; Q106-L108 PolarHBondContact O-N 3.34Å; Q106-S109 PolarHBondContact O-N 2.86Å; Q106-N110 PolarHBondContact O-N 3.13Å; Q106-N110 VanDerWaalsContact O-N 3.15Å
107	A	43.7	Very low	39.7	Very low	57 Å²	57	112.2 Å²	112.2	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-61.2	-35.3	170.8	0	0	0	0	0	112.4	N103 L104	N103-A107 PolarHBondContact O-N 3.24Å; L104-A107 PolarHBondContact O-N 2.92Å
108	L	42.5	Very low	39.9	Very low	93 Å²	93	115.8 Å²	115.8	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-70.9	-41	173	-71.7	163	0	0	0	112.2	L104 L105 Q106 N110 H111	L104-L108 PolarHBondContact O-N 3.15Å; L105-L108 HydrophobicContact CD2-CD1 4.24Å; L105-L108 WeakPolarHBondContact O-CB 3.34Å; L105-L108 PolarHBondContact O-N 2.94Å; Q106-L108 VanDerWaalsContact C-N 3.27Å; Q106-L108 PolarHBondContact O-N 3.34Å; L108-N110 VanDerWaalsContact C-N 3.29Å; L108-N110 PolarHBondContact O-N 3.3Å; L108-H111 PolarHBondContact O-N 3.45Å
109	S	45.4	Very low	39.6	Very low	87 Å²	87	114 Å²	114	61%	0.608	60%	0.598	S	S	*	*	H	α-helix	trans	-67.4	-25.1	-179.7	-172.5	0	0	0	0	114.3	L105 Q106	L105-S109 PolarHBondContact O-N 3.36Å; Q106-S109 PolarHBondContact O-N 2.86Å
110	N	35.3	Very low	40	Very low	123 Å²	123	111.4 Å²	111.4	66%	0.658	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-7.7	-179.3	-77.4	-18.1	0	0	0	113.7	Q106 L108 N112	Q106-N110 PolarHBondContact O-N 3.13Å; Q106-N110 VanDerWaalsContact O-N 3.15Å; L108-N110 VanDerWaalsContact C-N 3.29Å; L108-N110 PolarHBondContact O-N 3.3Å; N110-N112 VanDerWaalsContact C-N 3.26Å; N110-N112 PolarHBondContact O-N 2.87Å
111	H	32.5	Very low	40.4	Very low	133 Å²	133	108.7 Å²	108.7	62%	0.616	58%	0.579	S	S	*	*			trans	-86	57.4	179.9	-111	-56.4	0	0	0	113.3	L108 D113	L108-H111 PolarHBondContact O-N 3.45Å; H111-D113 VanDerWaalsContact C-N 3.33Å; H111-D113 PolarHBondContact O-N 3.19Å
112	N	36.2	Very low	40.4	Very low	149 Å²	149	109.4 Å²	109.4	80%	0.797	58%	0.578	S	S	*	*			trans	-76	79.3	167	-92.2	-32.9	0	0	0	110.8	N110	N110-N112 VanDerWaalsContact C-N 3.26Å; N110-N112 PolarHBondContact O-N 2.87Å
113	D	35.4	Very low	41	Very low	126 Å²	126	107.5 Å²	107.5	67%	0.674	57%	0.571	S	S	*	*			trans	-153.3	133.8	159.7	-102.1	-38.6	0	0	0	113	H111 S115	H111-D113 VanDerWaalsContact C-N 3.33Å; H111-D113 PolarHBondContact O-N 3.19Å; D113-S115 PolarHBondContact O-N 3.28Å
114	K	42.4	Very low	41.9	Very low	215 Å²	215	107.6 Å²	107.6	94%	0.935	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	20.4	-165.6	-74.1	-174.6	169.3	-173.1	0	116
115	S	39.2	Very low	42.1	Very low	99 Å²	99	103.8 Å²	103.8	69%	0.692	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	3.3	-173.8	54.4	0	0	0	0	115.1	D113	D113-S115 PolarHBondContact O-N 3.28Å
116	N	37.1	Very low	42.6	Very low	56 Å²	56	102.7 Å²	102.7	30%	0.299	54%	0.54	S	S	.	.			trans	-114.5	14.6	-165.5	-84	-5.6	0	0	0	116.8	Q118 S119 T120	N116-Q118 VanDerWaalsContact C-N 3.28Å; N116-Q118 PolarHBondContact O-N 3.09Å; N116-Q118 VanDerWaalsContact O-N 3.17Å; N116-S119 WeakPolarHBondContact O-CA 3.38Å; N116-S119 PolarHBondContact O-N 3.45Å; N116-T120 HydrophobicContact CB-CG2 4.43Å; N116-T120 PolarHBondContact O-N 2.91Å; N116-T120 PolarHBondContact O-OG1 2.89Å; N116-T120 VanDerWaalsContact O-OG1 3.12Å
117	E	40.9	Very low	43.4	Very low	160 Å²	160	101.5 Å²	101.5	75%	0.748	54%	0.535	S	S	*	.	H	α-helix	trans	-53	-38.8	-179.2	-69.2	-179.3	156.8	0	0	114.2	T120 T121	E117-T120 PolarHBondContact O-OG1 3.32Å; E117-T120 VanDerWaalsContact O-OG1 3.13Å; E117-T121 WeakPolarHBondContact O-CB 3.27Å; E117-T121 PolarHBondContact O-N 2.94Å; E117-T121 PolarHBondContact O-OG1 2.89Å
118	Q	35.2	Very low	44.1	Very low	179 Å²	179	99.6 Å²	99.6	84%	0.836	52%	0.517	S	S	*	.	H	α-helix	trans	-72.7	-33.4	174.6	-75.5	-176.3	-17.6	0	0	113.1	N116 Y122	N116-Q118 VanDerWaalsContact C-N 3.28Å; N116-Q118 PolarHBondContact O-N 3.09Å; N116-Q118 VanDerWaalsContact O-N 3.17Å; Q118-Y122 WeakPolarHBondContact O-CB 3.41Å; Q118-Y122 PolarHBondContact O-N 3.37Å; Q118-Y122 VanDerWaalsContact O-N 3.09Å
119	S	32.6	Very low	44.5	Very low	62 Å²	62	96.3 Å²	96.3	43%	0.434	50%	0.501	S	S	.	.	H	α-helix	trans	-76.7	-40.8	-177.7	-171.5	0	0	0	0	112.2	N116 Y122 T123	N116-S119 WeakPolarHBondContact O-CA 3.38Å; N116-S119 PolarHBondContact O-N 3.45Å; S119-Y122 PolarHBondContact O-N 3.49Å; S119-T123 PolarHBondContact O-N 3.26Å; S119-T123 PolarHBondContact O-OG1 3.03Å
120	T	43	Very low	44.8	Very low	64 Å²	64	96.7 Å²	96.7	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-63.8	-42.4	173.3	52.2	0	0	0	0	111.1	N116 E117 Y122 T123 F124	N116-T120 HydrophobicContact CB-CG2 4.43Å; N116-T120 PolarHBondContact O-N 2.91Å; N116-T120 PolarHBondContact O-OG1 2.89Å; N116-T120 VanDerWaalsContact O-OG1 3.12Å; E117-T120 PolarHBondContact O-OG1 3.32Å; E117-T120 VanDerWaalsContact O-OG1 3.13Å; T120-Y122 PolarHBondContact O-N 2.95Å; T120-T123 WeakPolarHBondContact CA-OG1 3.49Å; T120-T123 PolarHBondContact O-OG1 3.48Å; T120-T123 VanDerWaalsContact O-OG1 3.12Å; T120-F124 WeakPolarHBondContact O-CB 3.49Å; T120-F124 PolarHBondContact O-N 2.95Å
121	T	49.1	Very low	46.1	Very low	76 Å²	76	99.8 Å²	99.8	47%	0.466	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-44	176.2	-55.3	0	0	0	0	111.5	E117 I125	E117-T121 WeakPolarHBondContact O-CB 3.27Å; E117-T121 PolarHBondContact O-N 2.94Å; E117-T121 PolarHBondContact O-OG1 2.89Å; T121-I125 HydrophobicContact CG2-CD1 3.85Å; T121-I125 WeakPolarHBondContact O-CB 3.33Å; T121-I125 WeakPolarHBondContact O-CD1 3.35Å; T121-I125 VanDerWaalsContact O-CG1 3.25Å; T121-I125 WeakPolarHBondContact O-CG1 3.28Å; T121-I125 PolarHBondContact O-N 3.41Å
122	Y	45.2	Very low	47.1	Very low	121 Å²	121	94.4 Å²	94.4	48%	0.475	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-47.4	179.7	-174.9	-83.7	0	0	0	112.7	Q118 S119 T120 I125 E126 K174	Q118-Y122 WeakPolarHBondContact O-CB 3.41Å; Q118-Y122 PolarHBondContact O-N 3.37Å; Q118-Y122 VanDerWaalsContact O-N 3.09Å; S119-Y122 PolarHBondContact O-N 3.49Å; T120-Y122 PolarHBondContact O-N 2.95Å; Y122-I125 PolarHBondContact O-N 2.98Å; Y122-E126 HydrophobicContact CD1-CG 4.45Å; Y122-E126 HydrophobicContact CE1-CG 4.1Å; Y122-E126 WeakPolarHBondContact CE1-OE1 3.23Å; Y122-E126 WeakPolarHBondContact CE1-OE2 3.05Å; Y122-E126 PolarHBondContact O-N 3.34Å; Y122-E126 PolarHBondContact OH-OE1 3.2Å; Y122-K174 VanDerWaalsContact CE2-CE 3.43Å; Y122-K174 PolarHBondContact OH-NZ 3.19Å
123	T	55.5	Low	47.9	Very low	68 Å²	68	88.5 Å²	88.5	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-67	-37.5	178.5	46.8	0	0	0	0	112.3	S119 T120 E126 M127	S119-T123 PolarHBondContact O-N 3.26Å; S119-T123 PolarHBondContact O-OG1 3.03Å; T120-T123 WeakPolarHBondContact CA-OG1 3.49Å; T120-T123 PolarHBondContact O-OG1 3.48Å; T120-T123 VanDerWaalsContact O-OG1 3.12Å; T123-E126 PolarHBondContact O-N 2.96Å; T123-M127 WeakPolarHBondContact O-CB 3.04Å; T123-M127 PolarHBondContact O-N 3.39Å
124	F	58.3	Low	48.9	Very low	80 Å²	80	87.2 Å²	87.2	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-42.1	173.8	-177.3	-106.9	0	0	0	112.6	T120 M127 I128 Y164	T120-F124 WeakPolarHBondContact O-CB 3.49Å; T120-F124 PolarHBondContact O-N 2.95Å; F124-M127 WeakPolarHBondContact O-CB 3.38Å; F124-M127 PolarHBondContact O-N 3.5Å; F124-I128 HydrophobicContact CD1-CD1 3.82Å; F124-I128 HydrophobicContact CE1-CD1 3.35Å; F124-I128 HydrophobicContact CE1-CG1 4.38Å; F124-I128 HydrophobicContact CE2-CD1 4.44Å; F124-I128 HydrophobicContact CZ-CD1 3.7Å; F124-I128 HydrophobicContact CZ-CG1 4.42Å; F124-I128 WeakPolarHBondContact O-CG1 3.5Å; F124-I128 PolarHBondContact O-N 3.3Å; F124-Y164 HydrophobicContact CE1-CD1 4.16Å; F124-Y164 HydrophobicContact CE1-CD2 4.45Å; F124-Y164 AromaticContact CE1-CE1 3.72Å; F124-Y164 HydrophobicContact CE1-CE1 3.72Å; F124-Y164 HydrophobicContact CE1-CE2 4.06Å; F124-Y164 AromaticContact CE1-CZ 3.69Å; F124-Y164 HydrophobicContact CZ-CE1 4.07Å; F124-Y164 HydrophobicContact CZ-CE2 4.33Å; F124-Y164 AromaticContact CZ-CZ 3.76Å
125	I	51.6	Low	49.8	Very low	20 Å²	20	80.9 Å²	80.9	10%	0.103	41%	0.407	C	S	.	.	H	α-helix	trans	-62.8	-43.3	173.9	-69.6	164.3	0	0	0	110.8	T121 Y122 M127 I128 V129 C171 K174 I175	T121-I125 HydrophobicContact CG2-CD1 3.85Å; T121-I125 WeakPolarHBondContact O-CB 3.33Å; T121-I125 WeakPolarHBondContact O-CD1 3.35Å; T121-I125 VanDerWaalsContact O-CG1 3.25Å; T121-I125 WeakPolarHBondContact O-CG1 3.28Å; T121-I125 PolarHBondContact O-N 3.41Å; Y122-I125 PolarHBondContact O-N 2.98Å; I125-M127 VanDerWaalsContact C-N 3.34Å; I125-M127 PolarHBondContact O-N 3.09Å; I125-I128 PolarHBondContact O-N 2.69Å; I125-V129 HydrophobicContact CG2-CG2 4.31Å; I125-V129 VanDerWaalsContact O-CG2 3.29Å; I125-V129 WeakPolarHBondContact O-CG2 3.27Å; I125-V129 PolarHBondContact O-N 3Å; I125-C171 HydrophobicContact CD1-CB 4.13Å; I125-K174 HydrophobicContact CG2-CB 4.03Å; I125-K174 HydrophobicContact CG2-CD 4.13Å; I125-I175 HydrophobicContact CG2-CG1 4.22Å
126	E	51.9	Low	50.5	Low	81 Å²	81	76.5 Å²	76.5	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-38.2	176.4	-72.5	-170.1	163.7	0	0	112.6	Y122 T123 V129 Q130 K174	Y122-E126 HydrophobicContact CD1-CG 4.45Å; Y122-E126 HydrophobicContact CE1-CG 4.1Å; Y122-E126 WeakPolarHBondContact CE1-OE1 3.23Å; Y122-E126 WeakPolarHBondContact CE1-OE2 3.05Å; Y122-E126 PolarHBondContact O-N 3.34Å; Y122-E126 PolarHBondContact OH-OE1 3.2Å; T123-E126 PolarHBondContact O-N 2.96Å; E126-V129 PolarHBondContact O-N 2.79Å; E126-Q130 WeakPolarHBondContact O-CB 3.13Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 3.31Å; E126-K174 VanDerWaalsContact CD-NZ 3.35Å; E126-K174 IonicContact OE1-NZ 2.76Å; E126-K174 PolarHBondContact OE1-NZ 3.03Å
127	M	59.1	Low	51.2	Low	82 Å²	82	74.7 Å²	74.7	40%	0.404	37%	0.365	S	S	.	.	H	α-helix	trans	-60.3	-44.6	172.7	-170.9	-164	-56.5	0	0	111.8	L104 T123 F124 I125 R131	L104-M127 HydrophobicContact CD2-CE 3.98Å; T123-M127 WeakPolarHBondContact O-CB 3.04Å; T123-M127 PolarHBondContact O-N 3.39Å; F124-M127 WeakPolarHBondContact O-CB 3.38Å; F124-M127 PolarHBondContact O-N 3.5Å; I125-M127 VanDerWaalsContact C-N 3.34Å; I125-M127 PolarHBondContact O-N 3.09Å; M127-R131 VanDerWaalsContact O-CB 3.25Å; M127-R131 WeakPolarHBondContact O-CB 3.25Å; M127-R131 PolarHBondContact O-N 3.39Å
128	I	57.4	Low	52.1	Low	18 Å²	18	71.5 Å²	71.5	9%	0.092	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-49.1	174.2	-76.3	172.6	0	0	0	110.9	F124 I125 Q130 R131 T132 I160 Y164	F124-I128 HydrophobicContact CD1-CD1 3.82Å; F124-I128 HydrophobicContact CE1-CD1 3.35Å; F124-I128 HydrophobicContact CE1-CG1 4.38Å; F124-I128 HydrophobicContact CE2-CD1 4.44Å; F124-I128 HydrophobicContact CZ-CD1 3.7Å; F124-I128 HydrophobicContact CZ-CG1 4.42Å; F124-I128 WeakPolarHBondContact O-CG1 3.5Å; F124-I128 PolarHBondContact O-N 3.3Å; I125-I128 PolarHBondContact O-N 2.69Å; I128-Q130 PolarHBondContact O-N 2.71Å; I128-R131 PolarHBondContact O-N 3.13Å; I128-T132 WeakPolarHBondContact O-CB 3.4Å; I128-T132 PolarHBondContact O-N 2.83Å; I128-T132 PolarHBondContact O-OG1 2.72Å; I128-T132 VanDerWaalsContact O-OG1 3.09Å; I128-I160 HydrophobicContact CD1-CG2 4.09Å; I128-I160 HydrophobicContact CG2-CG2 3.8Å; I128-Y164 HydrophobicContact CD1-CD2 4.14Å; I128-Y164 HydrophobicContact CD1-CE2 3.86Å
129	V	51.6	Low	53.1	Low	23 Å²	23	63.4 Å²	63.4	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-46.6	-179	171.8	0	0	0	0	111	I125 E126 T132 V133 K174 I175	I125-V129 HydrophobicContact CG2-CG2 4.31Å; I125-V129 VanDerWaalsContact O-CG2 3.29Å; I125-V129 WeakPolarHBondContact O-CG2 3.27Å; I125-V129 PolarHBondContact O-N 3Å; E126-V129 PolarHBondContact O-N 2.79Å; V129-T132 PolarHBondContact O-N 2.7Å; V129-V133 HydrophobicContact CG1-CG2 4.45Å; V129-V133 WeakPolarHBondContact O-CB 3.4Å; V129-V133 WeakPolarHBondContact O-CG2 3.29Å; V129-V133 PolarHBondContact O-N 2.89Å; V129-K174 VanDerWaalsContact CG2-O 3.27Å; V129-K174 WeakPolarHBondContact CG2-O 3.4Å; V129-I175 HydrophobicContact CG2-CB 4.5Å; V129-I175 HydrophobicContact CG2-CG1 4.03Å
130	Q	51.6	Low	54.1	Low	96 Å²	96	61 Å²	61	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-43.1	177.3	-69.2	-67	-5.2	0	0	112	E126 I128 T132 V133 N134	E126-Q130 WeakPolarHBondContact O-CB 3.13Å; E126-Q130 VanDerWaalsContact O-CG 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 3.31Å; I128-Q130 PolarHBondContact O-N 2.71Å; Q130-T132 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 2.76Å; Q130-V133 PolarHBondContact O-N 2.97Å; Q130-N134 VanDerWaalsContact O-CB 3.31Å; Q130-N134 WeakPolarHBondContact O-CB 3.38Å; Q130-N134 PolarHBondContact O-N 2.78Å; Q130-N134 PolarHBondContact O-ND2 2.79Å
131	R	62.4	Low	54.5	Low	188 Å²	188	62.6 Å²	62.6	71%	0.709	30%	0.297	S	S	*	.	H	α-helix	trans	-58.9	-45.3	174.9	-177.8	178.9	-176.8	161.7	4.6	111.6	M127 I128 N134 K135	M127-R131 VanDerWaalsContact O-CB 3.25Å; M127-R131 WeakPolarHBondContact O-CB 3.25Å; M127-R131 PolarHBondContact O-N 3.39Å; I128-R131 PolarHBondContact O-N 3.13Å; R131-N134 PolarHBondContact O-N 3.36Å; R131-K135 WeakPolarHBondContact O-CB 3.44Å; R131-K135 PolarHBondContact O-N 3.28Å
132	T	54	Low	55.2	Low	20 Å²	20	62.3 Å²	62.3	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-47.6	179.7	-67.8	0	0	0	0	111.7	I128 V129 Q130 N134 K135 Y136 E157	I128-T132 WeakPolarHBondContact O-CB 3.4Å; I128-T132 PolarHBondContact O-N 2.83Å; I128-T132 PolarHBondContact O-OG1 2.72Å; I128-T132 VanDerWaalsContact O-OG1 3.09Å; V129-T132 PolarHBondContact O-N 2.7Å; Q130-T132 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 2.76Å; T132-N134 PolarHBondContact O-N 2.79Å; T132-K135 PolarHBondContact O-N 3.2Å; T132-K135 VanDerWaalsContact O-N 3.15Å; T132-Y136 HydrophobicContact CG2-CD2 3.78Å; T132-Y136 HydrophobicContact CG2-CE2 3.35Å; T132-Y136 VanDerWaalsContact O-CD2 3.28Å; T132-Y136 WeakPolarHBondContact O-CD2 3.06Å; T132-Y136 PolarHBondContact O-N 3.2Å; T132-E157 HydrophobicContact CG2-CB 4.13Å; T132-E157 HydrophobicContact CG2-CG 3.97Å; T132-E157 WeakPolarHBondContact CG2-OE2 3.06Å
133	V	51.4	Low	55.9	Low	24 Å²	24	60.8 Å²	60.8	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-47	174.8	170.9	0	0	0	0	111	V129 Q130 K135 Y136 M137	V129-V133 HydrophobicContact CG1-CG2 4.45Å; V129-V133 WeakPolarHBondContact O-CB 3.4Å; V129-V133 WeakPolarHBondContact O-CG2 3.29Å; V129-V133 PolarHBondContact O-N 2.89Å; Q130-V133 PolarHBondContact O-N 2.97Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 3.17Å; V133-Y136 PolarHBondContact O-N 3.46Å; V133-M137 HydrophobicContact CG1-CE 4.32Å; V133-M137 HydrophobicContact CG1-CG 4.33Å; V133-M137 VanDerWaalsContact O-CG 3.23Å; V133-M137 WeakPolarHBondContact O-CG 3.44Å; V133-M137 PolarHBondContact O-N 2.87Å
134	N	57.3	Low	56	Low	100 Å²	100	60.6 Å²	60.6	54%	0.535	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-37	177	-72.8	-23.3	0	0	0	112.2	Q130 R131 T132 N138	Q130-N134 VanDerWaalsContact O-CB 3.31Å; Q130-N134 WeakPolarHBondContact O-CB 3.38Å; Q130-N134 PolarHBondContact O-N 2.78Å; Q130-N134 PolarHBondContact O-ND2 2.79Å; R131-N134 PolarHBondContact O-N 3.36Å; T132-N134 PolarHBondContact O-N 2.79Å; N134-N138 VanDerWaalsContact O-CB 3.26Å; N134-N138 WeakPolarHBondContact O-CB 3.42Å; N134-N138 PolarHBondContact O-N 3.4Å
135	K	61.4	Low	56	Low	82 Å²	82	61.6 Å²	61.6	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-39.5	176.4	-156.7	175.5	172.8	-166	0	111.9	R131 T132 V133 N138 V139 L153 E156	R131-K135 WeakPolarHBondContact O-CB 3.44Å; R131-K135 PolarHBondContact O-N 3.28Å; T132-K135 PolarHBondContact O-N 3.2Å; T132-K135 VanDerWaalsContact O-N 3.15Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 3.17Å; K135-N138 PolarHBondContact O-N 3.01Å; K135-V139 WeakPolarHBondContact O-CG2 3.37Å; K135-V139 PolarHBondContact O-N 3.28Å; K135-L153 HydrophobicContact CB-CD1 4.37Å; K135-L153 HydrophobicContact CB-CD2 4.25Å; K135-L153 HydrophobicContact CD-CD2 3.4Å; K135-L153 VanDerWaalsContact CD-CD2 3.4Å; K135-L153 VanDerWaalsContact CE-CD2 3.44Å; K135-L153 HydrophobicContact CG-CD1 4.2Å; K135-L153 HydrophobicContact CG-CD2 3.61Å; K135-L153 WeakPolarHBondContact O-CD1 3.42Å; K135-E156 IonicContact NZ-OE1 2.6Å; K135-E156 PolarHBondContact NZ-OE1 3.23Å; K135-E156 IonicContact NZ-OE2 3.65Å; K135-E156 PolarHBondContact NZ-OE2 3.13Å
136	Y	53.6	Low	56.4	Low	7 Å²	7	61.6 Å²	61.6	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-54.3	170.9	-75.8	-56.6	0	0	0	111.3	T132 V133 N138 V139 I140 L150 L153 V154 E157 F178	T132-Y136 HydrophobicContact CG2-CD2 3.78Å; T132-Y136 HydrophobicContact CG2-CE2 3.35Å; T132-Y136 VanDerWaalsContact O-CD2 3.28Å; T132-Y136 WeakPolarHBondContact O-CD2 3.06Å; T132-Y136 PolarHBondContact O-N 3.2Å; V133-Y136 PolarHBondContact O-N 3.46Å; Y136-N138 VanDerWaalsContact C-N 3.29Å; Y136-N138 PolarHBondContact O-N 2.7Å; Y136-V139 PolarHBondContact O-N 2.91Å; Y136-V139 VanDerWaalsContact O-N 3.1Å; Y136-I140 WeakPolarHBondContact O-CD1 3.42Å; Y136-I140 VanDerWaalsContact O-CG1 3.27Å; Y136-I140 WeakPolarHBondContact O-CG1 3.23Å; Y136-I140 PolarHBondContact O-N 3.22Å; Y136-L150 HydrophobicContact CD1-CD1 3.5Å; Y136-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y136-L150 HydrophobicContact CD1-CG 3.73Å; Y136-L150 HydrophobicContact CE1-CD1 4.27Å; Y136-L150 HydrophobicContact CE1-CG 3.99Å; Y136-L150 HydrophobicContact CG-CD1 4.33Å; Y136-L153 HydrophobicContact CD1-CB 3.63Å; Y136-L153 HydrophobicContact CD1-CD1 3.5Å; Y136-L153 VanDerWaalsContact CD1-CD1 3.5Å; Y136-L153 HydrophobicContact CD1-CG 4.23Å; Y136-L153 HydrophobicContact CE1-CB 3.31Å; Y136-L153 HydrophobicContact CE1-CD1 4.11Å; Y136-L153 HydrophobicContact CE1-CG 4.37Å; Y136-L153 HydrophobicContact CG-CD1 4.09Å; Y136-V154 HydrophobicContact CE1-CG2 4.2Å; Y136-V154 WeakPolarHBondContact OH-CA 3.28Å; Y136-V154 PolarHBondContact OH-N 3.02Å; Y136-E157 WeakPolarHBondContact CE2-OE2 3.28Å; Y136-E157 VanDerWaalsContact CZ-OE2 3.31Å; Y136-E157 PolarHBondContact OH-OE2 3.22Å; Y136-F178 HydrophobicContact CE1-CE2 4.23Å; Y136-F178 HydrophobicContact CE1-CZ 4.33Å; Y136-F178 AromaticContact CZ-CE2 3.96Å
137	M	52	Low	56.4	Low	18 Å²	18	60.7 Å²	60.7	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-55	-44.3	178.9	-67.3	-69.5	-178.6	0	0	111.8	V133 I140 R141 L640 A645	V133-M137 HydrophobicContact CG1-CE 4.32Å; V133-M137 HydrophobicContact CG1-CG 4.33Å; V133-M137 VanDerWaalsContact O-CG 3.23Å; V133-M137 WeakPolarHBondContact O-CG 3.44Å; V133-M137 PolarHBondContact O-N 2.87Å; M137-I140 PolarHBondContact O-N 3.47Å; M137-R141 WeakPolarHBondContact O-CB 3.23Å; M137-R141 WeakPolarHBondContact O-CG 3.42Å; M137-R141 PolarHBondContact O-N 3.42Å; M137-L640 HydrophobicContact CE-CB 4.13Å; M137-L640 HydrophobicContact CE-CD2 3.74Å; M137-L640 HydrophobicContact CE-CG 3.89Å; M137-L640 WeakPolarHBondContact CE-O 2.95Å; M137-L640 HydrophobicContact SD-CB 4Å; M137-L640 HydrophobicContact SD-CD2 3.61Å; M137-L640 HydrophobicContact SD-CG 4.11Å; M137-A645 HydrophobicContact CE-CB 4.07Å
138	N	59.1	Low	56.3	Low	92 Å²	92	64.3 Å²	64.3	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-40.3	177.7	-173.1	29.1	0	0	0	112.6	N134 K135 Y136 T142	N134-N138 VanDerWaalsContact O-CB 3.26Å; N134-N138 WeakPolarHBondContact O-CB 3.42Å; N134-N138 PolarHBondContact O-N 3.4Å; K135-N138 PolarHBondContact O-N 3.01Å; Y136-N138 VanDerWaalsContact C-N 3.29Å; Y136-N138 PolarHBondContact O-N 2.7Å; N138-T142 WeakPolarHBondContact O-CB 3.45Å; N138-T142 WeakPolarHBondContact O-CG2 3.35Å; N138-T142 PolarHBondContact O-N 3.24Å; N138-T142 PolarHBondContact O-OG1 3.13Å; N138-T142 VanDerWaalsContact OD1-CG2 3.26Å; N138-T142 WeakPolarHBondContact OD1-CG2 3.23Å
139	V	56.7	Low	56.2	Low	10 Å²	10	68.9 Å²	68.9	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-42.7	175.4	159.9	0	0	0	0	111.7	K135 Y136 K143 W146 R149 L150 L153	K135-V139 WeakPolarHBondContact O-CG2 3.37Å; K135-V139 PolarHBondContact O-N 3.28Å; Y136-V139 PolarHBondContact O-N 2.91Å; Y136-V139 VanDerWaalsContact O-N 3.1Å; V139-K143 PolarHBondContact O-N 3.29Å; V139-W146 HydrophobicContact CG1-CB 4.36Å; V139-R149 HydrophobicContact CG1-CB 3.47Å; V139-R149 VanDerWaalsContact CG1-CB 3.47Å; V139-R149 HydrophobicContact CG2-CB 4.19Å; V139-L150 HydrophobicContact CG1-CD1 4.36Å; V139-L153 HydrophobicContact CB-CD1 3.91Å; V139-L153 HydrophobicContact CG1-CD1 4.42Å; V139-L153 HydrophobicContact CG2-CD1 3.65Å; V139-L153 HydrophobicContact CG2-CG 4.39Å
140	I	53	Low	56.5	Low	11 Å²	11	67.9 Å²	67.9	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-44.6	178.8	-63.1	157.7	0	0	0	110.7	Y136 M137 L150 I304 I637 L648	Y136-I140 WeakPolarHBondContact O-CD1 3.42Å; Y136-I140 VanDerWaalsContact O-CG1 3.27Å; Y136-I140 WeakPolarHBondContact O-CG1 3.23Å; Y136-I140 PolarHBondContact O-N 3.22Å; M137-I140 PolarHBondContact O-N 3.47Å; I140-L150 HydrophobicContact CD1-CD1 3.76Å; I140-L150 HydrophobicContact CG1-CD1 3.53Å; I140-I304 HydrophobicContact CG2-CD1 3.72Å; I140-I637 HydrophobicContact CB-CG2 4.39Å; I140-I637 HydrophobicContact CG2-CD1 3.97Å; I140-I637 HydrophobicContact CG2-CG1 4.4Å; I140-I637 HydrophobicContact CG2-CG2 3.66Å; I140-L648 HydrophobicContact CD1-CD2 3.62Å; I140-L648 HydrophobicContact CG1-CD2 4.41Å; I140-L648 HydrophobicContact CG2-CD2 4.31Å
141	R	52.6	Low	56.5	Low	97 Å²	97	65.1 Å²	65.1	37%	0.366	31%	0.309	S	S	.	.	H	α-helix	trans	-72.3	-33.2	-179.1	-70.4	178	-174.3	156.1	2	114.5	M137 I637	M137-R141 WeakPolarHBondContact O-CB 3.23Å; M137-R141 WeakPolarHBondContact O-CG 3.42Å; M137-R141 PolarHBondContact O-N 3.42Å; R141-I637 HydrophobicContact CG-CB 4.27Å; R141-I637 HydrophobicContact CG-CG2 3.39Å; R141-I637 VanDerWaalsContact CZ-O 3.31Å; R141-I637 PolarHBondContact NE-O 3.45Å; R141-I637 PolarHBondContact NH2-O 3.3Å
142	T	62.6	Low	56.4	Low	71 Å²	71	61.7 Å²	61.7	44%	0.436	30%	0.301	S	S	.	.	H	α-helix	trans	-110.9	1.3	-164.2	67.9	0	0	0	0	116.3	N138	N138-T142 WeakPolarHBondContact O-CB 3.45Å; N138-T142 WeakPolarHBondContact O-CG2 3.35Å; N138-T142 PolarHBondContact O-N 3.24Å; N138-T142 PolarHBondContact O-OG1 3.13Å; N138-T142 VanDerWaalsContact OD1-CG2 3.26Å; N138-T142 WeakPolarHBondContact OD1-CG2 3.23Å
143	K	60	Low	56.5	Low	89 Å²	89	61.2 Å²	61.2	39%	0.387	30%	0.298	S	S	.	.			trans	-135	131.2	-172.1	-56.2	-65.5	155.6	-156	0	112.7	V139 D145 W146	V139-K143 PolarHBondContact O-N 3.29Å; K143-D145 PolarHBondContact O-N 3.48Å; K143-W146 WeakPolarHBondContact O-CB 3.1Å; K143-W146 PolarHBondContact O-N 2.99Å
144	S	58.4	Low	56.7	Low	64 Å²	64	60.8 Å²	60.8	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-41.2	166.7	50.7	0	0	0	0	111.3	W146	S144-W146 PolarHBondContact O-N 3.37Å; S144-W146 VanDerWaalsContact O-N 3.13Å
145	D	58.2	Low	56.6	Low	101 Å²	101	61.3 Å²	61.3	54%	0.54	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	33.9	-174.3	-46.4	-7.6	0	0	0	110.4	K143 L147 K148 R149	K143-D145 PolarHBondContact O-N 3.48Å; D145-L147 VanDerWaalsContact C-N 3.26Å; D145-L147 PolarHBondContact O-N 3.38Å; D145-K148 PolarHBondContact O-N 3.01Å; D145-R149 PolarHBondContact O-N 2.88Å; D145-R149 VanDerWaalsContact O-N 3.17Å
146	W	59.2	Low	56.5	Low	19 Å²	19	61 Å²	61	7%	0.072	29%	0.293	C	S	.	.	H	α-helix	trans	-53.8	-43.9	-172.1	64.8	-92.2	0	0	0	111	V139 K143 S144 K148 R149 L150 F298 I652	V139-W146 HydrophobicContact CG1-CB 4.36Å; K143-W146 WeakPolarHBondContact O-CB 3.1Å; K143-W146 PolarHBondContact O-N 2.99Å; S144-W146 PolarHBondContact O-N 3.37Å; S144-W146 VanDerWaalsContact O-N 3.13Å; W146-K148 PolarHBondContact O-N 3.21Å; W146-R149 CarbonylContact O-C 3.53Å; W146-R149 PolarHBondContact O-N 3.5Å; W146-L150 HydrophobicContact CZ3-CD2 4.34Å; W146-L150 VanDerWaalsContact O-CB 3.23Å; W146-L150 WeakPolarHBondContact O-CB 3.31Å; W146-L150 PolarHBondContact O-N 3.24Å; W146-F298 AromaticContact NE1-CE2 3.67Å; W146-F298 AromaticContact NE1-CZ 3.44Å; W146-I652 HydrophobicContact CH2-CD1 4.41Å; W146-I652 HydrophobicContact CH2-CG1 4.13Å; W146-I652 HydrophobicContact CZ3-CD1 3.85Å; W146-I652 HydrophobicContact CZ3-CG1 3.96Å
147	L	53.2	Low	56.6	Low	63 Å²	63	60.8 Å²	60.8	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-46	-178.1	-177.4	63.2	0	0	0	112.4	D145 R149 L150 L151 I652	D145-L147 VanDerWaalsContact C-N 3.26Å; D145-L147 PolarHBondContact O-N 3.38Å; L147-R149 PolarHBondContact O-N 3.35Å; L147-L150 PolarHBondContact O-N 2.59Å; L147-L151 HydrophobicContact CG-CD1 4.3Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 2.64Å; L147-I652 HydrophobicContact CD1-CG2 4.09Å
148	K	56.6	Low	56.6	Low	157 Å²	157	62.2 Å²	62.2	68%	0.683	30%	0.297	S	S	*	.	H	α-helix	trans	-62.6	-43.2	177.9	-176.9	177.3	180	178.2	0	111.2	D145 W146 Q152	D145-K148 PolarHBondContact O-N 3.01Å; W146-K148 PolarHBondContact O-N 3.21Å; K148-Q152 PolarHBondContact O-N 2.88Å; K148-Q152 VanDerWaalsContact O-N 3.14Å
149	R	55.1	Low	56.5	Low	115 Å²	115	61 Å²	61	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-71.4	-30.9	176.4	-81.3	173.3	162	-115.4	-6.6	112.7	V139 D145 W146 L147 Q152 L153	V139-R149 HydrophobicContact CG1-CB 3.47Å; V139-R149 VanDerWaalsContact CG1-CB 3.47Å; V139-R149 HydrophobicContact CG2-CB 4.19Å; D145-R149 PolarHBondContact O-N 2.88Å; D145-R149 VanDerWaalsContact O-N 3.17Å; W146-R149 CarbonylContact O-C 3.53Å; W146-R149 PolarHBondContact O-N 3.5Å; L147-R149 PolarHBondContact O-N 3.35Å; R149-Q152 WeakPolarHBondContact O-CB 3.36Å; R149-Q152 PolarHBondContact O-N 3.41Å; R149-L153 WeakPolarHBondContact O-CG 3.39Å; R149-L153 PolarHBondContact O-N 3Å
150	L	57.4	Low	56.5	Low	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-45	177.1	-154.3	94.2	0	0	0	110.2	Y136 V139 I140 W146 L147 Q152 L153 V154 F178 I652	Y136-L150 HydrophobicContact CD1-CD1 3.5Å; Y136-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y136-L150 HydrophobicContact CD1-CG 3.73Å; Y136-L150 HydrophobicContact CE1-CD1 4.27Å; Y136-L150 HydrophobicContact CE1-CG 3.99Å; Y136-L150 HydrophobicContact CG-CD1 4.33Å; V139-L150 HydrophobicContact CG1-CD1 4.36Å; I140-L150 HydrophobicContact CD1-CD1 3.76Å; I140-L150 HydrophobicContact CG1-CD1 3.53Å; W146-L150 HydrophobicContact CZ3-CD2 4.34Å; W146-L150 VanDerWaalsContact O-CB 3.23Å; W146-L150 WeakPolarHBondContact O-CB 3.31Å; W146-L150 PolarHBondContact O-N 3.24Å; L147-L150 PolarHBondContact O-N 2.59Å; L150-Q152 VanDerWaalsContact C-N 3.25Å; L150-Q152 PolarHBondContact O-N 2.97Å; L150-L153 CarbonylContact O-C 3.5Å; L150-L153 WeakPolarHBondContact O-CA 3.46Å; L150-L153 WeakPolarHBondContact O-CB 3.36Å; L150-L153 PolarHBondContact O-N 3.08Å; L150-V154 VanDerWaalsContact O-CG2 3.23Å; L150-V154 WeakPolarHBondContact O-CG2 3.2Å; L150-V154 PolarHBondContact O-N 2.9Å; L150-F178 HydrophobicContact CD2-CE1 4.14Å; L150-F178 HydrophobicContact CD2-CZ 3.79Å; L150-F178 HydrophobicContact CG-CZ 4.5Å; L150-I652 HydrophobicContact CD2-CD1 3.38Å; L150-I652 HydrophobicContact CD2-CG1 4.37Å; L150-I652 HydrophobicContact CD2-CG2 4.23Å
151	L	53	Low	56.5	Low	39 Å²	39	63.1 Å²	63.1	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-40.1	170.9	-68.6	165.2	0	0	0	111.4	L147 L153 V154 K155 V598 L599	L147-L151 HydrophobicContact CG-CD1 4.3Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.47Å; L147-L151 PolarHBondContact O-N 2.64Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 3.34Å; L151-V154 WeakPolarHBondContact O-CB 3.41Å; L151-V154 PolarHBondContact O-N 2.69Å; L151-K155 PolarHBondContact O-N 3.39Å; L151-V598 HydrophobicContact CD1-CG1 3.86Å; L151-V598 HydrophobicContact CD2-CG1 4.37Å; L151-L599 HydrophobicContact CD2-CD2 3.69Å
152	Q	59.8	Low	56.6	Low	115 Å²	115	62 Å²	62	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-34.1	172.9	-170.1	173.2	9.7	0	0	113.1	K148 R149 L150 K155 E156	K148-Q152 PolarHBondContact O-N 2.88Å; K148-Q152 VanDerWaalsContact O-N 3.14Å; R149-Q152 WeakPolarHBondContact O-CB 3.36Å; R149-Q152 PolarHBondContact O-N 3.41Å; L150-Q152 VanDerWaalsContact C-N 3.25Å; L150-Q152 PolarHBondContact O-N 2.97Å; Q152-K155 WeakPolarHBondContact O-CB 3.15Å; Q152-K155 PolarHBondContact O-N 3.24Å; Q152-E156 PolarHBondContact O-N 3.19Å
153	L	56.9	Low	56.5	Low	10 Å²	10	66.4 Å²	66.4	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-69.9	-36.9	171.9	-68.5	179.3	0	0	0	112.7	K135 Y136 V139 R149 L150 L151 K155 E156 E157	K135-L153 HydrophobicContact CB-CD1 4.37Å; K135-L153 HydrophobicContact CB-CD2 4.25Å; K135-L153 HydrophobicContact CD-CD2 3.4Å; K135-L153 VanDerWaalsContact CD-CD2 3.4Å; K135-L153 VanDerWaalsContact CE-CD2 3.44Å; K135-L153 HydrophobicContact CG-CD1 4.2Å; K135-L153 HydrophobicContact CG-CD2 3.61Å; K135-L153 WeakPolarHBondContact O-CD1 3.42Å; Y136-L153 HydrophobicContact CD1-CB 3.63Å; Y136-L153 HydrophobicContact CD1-CD1 3.5Å; Y136-L153 VanDerWaalsContact CD1-CD1 3.5Å; Y136-L153 HydrophobicContact CD1-CG 4.23Å; Y136-L153 HydrophobicContact CE1-CB 3.31Å; Y136-L153 HydrophobicContact CE1-CD1 4.11Å; Y136-L153 HydrophobicContact CE1-CG 4.37Å; Y136-L153 HydrophobicContact CG-CD1 4.09Å; V139-L153 HydrophobicContact CB-CD1 3.91Å; V139-L153 HydrophobicContact CG1-CD1 4.42Å; V139-L153 HydrophobicContact CG2-CD1 3.65Å; V139-L153 HydrophobicContact CG2-CG 4.39Å; R149-L153 WeakPolarHBondContact O-CG 3.39Å; R149-L153 PolarHBondContact O-N 3Å; L150-L153 CarbonylContact O-C 3.5Å; L150-L153 WeakPolarHBondContact O-CA 3.46Å; L150-L153 WeakPolarHBondContact O-CB 3.36Å; L150-L153 PolarHBondContact O-N 3.08Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 3.34Å; L153-K155 PolarHBondContact O-N 3.35Å; L153-E156 PolarHBondContact O-N 3.49Å; L153-E157 WeakPolarHBondContact O-CB 3.08Å; L153-E157 PolarHBondContact O-N 3.22Å
154	V	54.2	Low	56.2	Low	16 Å²	16	67.7 Å²	67.7	10%	0.097	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-41	171.6	-171.2	0	0	0	0	110.4	Y136 L150 L151 R158 L177 F178	Y136-V154 HydrophobicContact CE1-CG2 4.2Å; Y136-V154 WeakPolarHBondContact OH-CA 3.28Å; Y136-V154 PolarHBondContact OH-N 3.02Å; L150-V154 VanDerWaalsContact O-CG2 3.23Å; L150-V154 WeakPolarHBondContact O-CG2 3.2Å; L150-V154 PolarHBondContact O-N 2.9Å; L151-V154 WeakPolarHBondContact O-CB 3.41Å; L151-V154 PolarHBondContact O-N 2.69Å; V154-R158 VanDerWaalsContact O-CB 3.31Å; V154-R158 WeakPolarHBondContact O-CB 3.34Å; V154-R158 PolarHBondContact O-N 3.12Å; V154-L177 HydrophobicContact CG1-CD2 3.45Å; V154-L177 VanDerWaalsContact CG1-CD2 3.45Å; V154-F178 HydrophobicContact CG1-CE2 4.47Å; V154-F178 HydrophobicContact CG2-CD2 4.17Å; V154-F178 HydrophobicContact CG2-CE2 3.41Å; V154-F178 VanDerWaalsContact CG2-CE2 3.41Å; V154-F178 HydrophobicContact CG2-CZ 3.79Å
155	K	55	Low	55.7	Low	111 Å²	111	70 Å²	70	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-48.1	174.3	176.4	167.4	178.3	153.7	0	112.5	L151 Q152 L153 E157 R158 D159 E600	L151-K155 PolarHBondContact O-N 3.39Å; Q152-K155 WeakPolarHBondContact O-CB 3.15Å; Q152-K155 PolarHBondContact O-N 3.24Å; L153-K155 PolarHBondContact O-N 3.35Å; K155-E157 PolarHBondContact O-N 3.46Å; K155-R158 PolarHBondContact O-N 3.3Å; K155-D159 WeakPolarHBondContact O-CB 3.11Å; K155-D159 PolarHBondContact O-N 2.77Å; K155-E600 WeakPolarHBondContact CD-OE1 3Å; K155-E600 WeakPolarHBondContact CE-OE1 3.26Å; K155-E600 IonicContact NZ-OE1 2.72Å; K155-E600 PolarHBondContact NZ-OE1 3.17Å
156	E	60.3	Low	55.3	Low	74 Å²	74	66.3 Å²	66.3	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-45.3	175.8	-71.9	-179.5	-167.3	0	0	112.4	K135 Q152 L153 R158 D159 I160	K135-E156 IonicContact NZ-OE1 2.6Å; K135-E156 PolarHBondContact NZ-OE1 3.23Å; K135-E156 IonicContact NZ-OE2 3.65Å; K135-E156 PolarHBondContact NZ-OE2 3.13Å; Q152-E156 PolarHBondContact O-N 3.19Å; L153-E156 PolarHBondContact O-N 3.49Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 2.03Å; E156-D159 PolarHBondContact O-N 3.12Å; E156-I160 VanDerWaalsContact O-CG1 3.31Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; E156-I160 PolarHBondContact O-N 3.2Å
157	E	55.7	Low	54.6	Low	4 Å²	4	73 Å²	73	2%	0.019	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-39.3	178.9	-176.7	-165.8	134.9	0	0	111.8	T132 Y136 L153 K155 I160 R161 I175 Q176 L177	T132-E157 HydrophobicContact CG2-CB 4.13Å; T132-E157 HydrophobicContact CG2-CG 3.97Å; T132-E157 WeakPolarHBondContact CG2-OE2 3.06Å; Y136-E157 WeakPolarHBondContact CE2-OE2 3.28Å; Y136-E157 VanDerWaalsContact CZ-OE2 3.31Å; Y136-E157 PolarHBondContact OH-OE2 3.22Å; L153-E157 WeakPolarHBondContact O-CB 3.08Å; L153-E157 PolarHBondContact O-N 3.22Å; K155-E157 PolarHBondContact O-N 3.46Å; E157-I160 WeakPolarHBondContact O-CB 3.16Å; E157-R161 PolarHBondContact O-N 3Å; E157-R161 IonicContact OE1-CZ 3.15Å; E157-R161 IonicContact OE1-NE 3.55Å; E157-R161 IonicContact OE1-NH2 2.91Å; E157-R161 PolarHBondContact OE1-NH2 3.24Å; E157-I175 HydrophobicContact CG-CG2 3.43Å; E157-I175 VanDerWaalsContact CG-CG2 3.43Å; E157-I175 WeakPolarHBondContact OE1-CG2 3.17Å; E157-Q176 PolarHBondContact OE1-N 3.41Å; E157-L177 PolarHBondContact OE1-N 3.2Å
158	R	51.3	Low	54.1	Low	48 Å²	48	74.4 Å²	74.4	18%	0.181	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-44.8	176.9	179.3	-176.9	178.4	158.7	-9	112.4	V154 K155 E156 I160 R161 S162 Y583 L599 E600	V154-R158 VanDerWaalsContact O-CB 3.31Å; V154-R158 WeakPolarHBondContact O-CB 3.34Å; V154-R158 PolarHBondContact O-N 3.12Å; K155-R158 PolarHBondContact O-N 3.3Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 2.03Å; R158-I160 PolarHBondContact O-N 2.71Å; R158-R161 WeakPolarHBondContact O-CA 3.27Å; R158-R161 WeakPolarHBondContact O-CB 3.14Å; R158-R161 PolarHBondContact O-N 2.7Å; R158-S162 PolarHBondContact O-N 2.75Å; R158-S162 VanDerWaalsContact O-N 3.08Å; R158-S162 PolarHBondContact O-OG 3.47Å; R158-Y583 PolarHBondContact NH2-OH 2.92Å; R158-L599 PolarHBondContact NH1-O 3.01Å; R158-E600 PolarHBondContact NH1-O 2.83Å; R158-E600 PolarHBondContact NH2-O 2.87Å
159	D	56.5	Low	53.3	Low	67 Å²	67	71.9 Å²	71.9	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-33	177.9	176	53.2	0	0	0	111.8	K155 E156 S162 R163	K155-D159 WeakPolarHBondContact O-CB 3.11Å; K155-D159 PolarHBondContact O-N 2.77Å; E156-D159 PolarHBondContact O-N 3.12Å; D159-S162 WeakPolarHBondContact CA-OG 3.36Å; D159-S162 PolarHBondContact O-N 2.78Å; D159-S162 PolarHBondContact O-OG 2.7Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 WeakPolarHBondContact O-CG 3.04Å; D159-R163 PolarHBondContact O-N 2.86Å; D159-R163 IonicContact OD1-NE 3.85Å; D159-R163 IonicContact OD2-CZ 3.55Å; D159-R163 IonicContact OD2-NE 2.76Å; D159-R163 PolarHBondContact OD2-NE 2.95Å; D159-R163 IonicContact OD2-NH2 2.79Å; D159-R163 PolarHBondContact OD2-NH2 3.36Å
160	I	57.2	Low	52.7	Low	33 Å²	33	69.6 Å²	69.6	17%	0.169	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-47.5	167.2	-75.9	167.8	0	0	0	111	I128 E156 E157 R158 S162 R163 Y164	I128-I160 HydrophobicContact CD1-CG2 4.09Å; I128-I160 HydrophobicContact CG2-CG2 3.8Å; E156-I160 VanDerWaalsContact O-CG1 3.31Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; E156-I160 PolarHBondContact O-N 3.2Å; E157-I160 WeakPolarHBondContact O-CB 3.16Å; R158-I160 PolarHBondContact O-N 2.71Å; I160-S162 PolarHBondContact O-N 3.12Å; I160-R163 PolarHBondContact O-N 2.94Å; I160-Y164 HydrophobicContact CG2-CD2 3.74Å; I160-Y164 HydrophobicContact CG2-CE2 3.95Å; I160-Y164 WeakPolarHBondContact O-CD2 3.28Å; I160-Y164 PolarHBondContact O-N 3.2Å
161	R	54.1	Low	52.2	Low	32 Å²	32	69.6 Å²	69.6	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-43.2	179	-61.4	173.2	-165	-120.4	2.2	113.4	E157 R158 R163 Y164 N165 I172 I175	E157-R161 PolarHBondContact O-N 3Å; E157-R161 IonicContact OE1-CZ 3.15Å; E157-R161 IonicContact OE1-NE 3.55Å; E157-R161 IonicContact OE1-NH2 2.91Å; E157-R161 PolarHBondContact OE1-NH2 3.24Å; R158-R161 WeakPolarHBondContact O-CA 3.27Å; R158-R161 WeakPolarHBondContact O-CB 3.14Å; R158-R161 PolarHBondContact O-N 2.7Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-Y164 PolarHBondContact O-N 2.85Å; R161-N165 PolarHBondContact O-N 2.84Å; R161-I172 PolarHBondContact NH1-O 3.39Å; R161-I175 HydrophobicContact CG-CB 4.43Å; R161-I175 HydrophobicContact CG-CD1 4Å; R161-I175 HydrophobicContact CG-CG2 4.11Å; R161-I175 VanDerWaalsContact CZ-O 3.26Å; R161-I175 PolarHBondContact NH1-O 3.28Å; R161-I175 VanDerWaalsContact NH1-O 3.15Å; R161-I175 PolarHBondContact NH2-O 3.18Å
162	S	55	Low	51.8	Low	74 Å²	74	71.2 Å²	71.2	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-37.2	178.7	45	0	0	0	0	111.5	R158 D159 I160	R158-S162 PolarHBondContact O-N 2.75Å; R158-S162 VanDerWaalsContact O-N 3.08Å; R158-S162 PolarHBondContact O-OG 3.47Å; D159-S162 WeakPolarHBondContact CA-OG 3.36Å; D159-S162 PolarHBondContact O-N 2.78Å; D159-S162 PolarHBondContact O-OG 2.7Å; I160-S162 PolarHBondContact O-N 3.12Å
163	R	58.9	Low	51	Low	162 Å²	162	72 Å²	72	61%	0.611	35%	0.354	S	S	*	.	H	α-helix	trans	-69.8	-33.2	175.8	-75.3	-167.5	-87.8	156.1	-7.5	113.7	D159 I160 R161	D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 WeakPolarHBondContact O-CG 3.04Å; D159-R163 PolarHBondContact O-N 2.86Å; D159-R163 IonicContact OD1-NE 3.85Å; D159-R163 IonicContact OD2-CZ 3.55Å; D159-R163 IonicContact OD2-NE 2.76Å; D159-R163 PolarHBondContact OD2-NE 2.95Å; D159-R163 IonicContact OD2-NH2 2.79Å; D159-R163 PolarHBondContact OD2-NH2 3.36Å; I160-R163 PolarHBondContact O-N 2.94Å; R161-R163 VanDerWaalsContact C-N 3.32Å
164	Y	54.4	Low	50.3	Low	116 Å²	116	74 Å²	74	46%	0.455	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	12.7	-176.9	-69	-60.9	0	0	0	115.5	F124 I128 I160 R161 C166	F124-Y164 HydrophobicContact CE1-CD1 4.16Å; F124-Y164 HydrophobicContact CE1-CD2 4.45Å; F124-Y164 AromaticContact CE1-CE1 3.72Å; F124-Y164 HydrophobicContact CE1-CE1 3.72Å; F124-Y164 HydrophobicContact CE1-CE2 4.06Å; F124-Y164 AromaticContact CE1-CZ 3.69Å; F124-Y164 HydrophobicContact CZ-CE1 4.07Å; F124-Y164 HydrophobicContact CZ-CE2 4.33Å; F124-Y164 AromaticContact CZ-CZ 3.76Å; I128-Y164 HydrophobicContact CD1-CD2 4.14Å; I128-Y164 HydrophobicContact CD1-CE2 3.86Å; I160-Y164 HydrophobicContact CG2-CD2 3.74Å; I160-Y164 HydrophobicContact CG2-CE2 3.95Å; I160-Y164 WeakPolarHBondContact O-CD2 3.28Å; I160-Y164 PolarHBondContact O-N 3.2Å; R161-Y164 PolarHBondContact O-N 2.85Å; Y164-C166 PolarHBondContact O-N 3.4Å; Y164-C166 VanDerWaalsContact O-N 3.08Å
165	N	48.4	Very low	49.8	Very low	113 Å²	113	73.4 Å²	73.4	60%	0.604	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	42.4	176.5	-87.4	-12.7	0	0	0	112.7	R161 F167	R161-N165 PolarHBondContact O-N 2.84Å; N165-F167 HydrophobicContact CB-CD2 4.03Å; N165-F167 HydrophobicContact CB-CE2 3.5Å; N165-F167 VanDerWaalsContact CB-CE2 3.5Å; N165-F167 HydrophobicContact CB-CZ 4.18Å; N165-F167 VanDerWaalsContact CG-CE2 3.47Å; N165-F167 WeakPolarHBondContact O-CD2 3.21Å; N165-F167 PolarHBondContact O-N 3.14Å; N165-F167 WeakPolarHBondContact OD1-CZ 3.48Å
166	C	49.8	Very low	49.1	Very low	23 Å²	23	72.8 Å²	72.8	16%	0.155	36%	0.358	C	S	.	.			trans	-76.6	71.1	-177	-94.7	0	0	0	0	111.8	Y164 C171 I172	Y164-C166 PolarHBondContact O-N 3.4Å; Y164-C166 VanDerWaalsContact O-N 3.08Å; C166-C171 HydrophobicContact CB-CB 3.59Å; C166-C171 WeakPolarHBondContact CB-SG 3.4Å; C166-C171 WeakPolarHBondContact SG-CB 3.47Å; C166-C171 CovalentContact SG-SG 2.03Å; C166-C171 PolarHBondContact SG-SG 3.21Å; C166-I172 WeakPolarHBondContact O-CG1 3.34Å
167	F	43.8	Very low	48.2	Very low	161 Å²	161	71.8 Å²	71.8	71%	0.706	36%	0.355	S	S	*	.			trans	-81.6	-12.3	177.2	-57.1	-63.3	0	0	0	113.6	N165	N165-F167 HydrophobicContact CB-CD2 4.03Å; N165-F167 HydrophobicContact CB-CE2 3.5Å; N165-F167 VanDerWaalsContact CB-CE2 3.5Å; N165-F167 HydrophobicContact CB-CZ 4.18Å; N165-F167 VanDerWaalsContact CG-CE2 3.47Å; N165-F167 WeakPolarHBondContact O-CD2 3.21Å; N165-F167 PolarHBondContact O-N 3.14Å; N165-F167 WeakPolarHBondContact OD1-CZ 3.48Å
168	T	42.7	Very low	47.5	Very low	92 Å²	92	72.2 Å²	72.2	56%	0.564	36%	0.356	S	S	*	.	S	Bend	trans	-81.9	131.5	176.9	57.3	0	0	0	0	110.6	A170 C171 I172	T168-A170 PolarHBondContact O-N 3.47Å; T168-A170 VanDerWaalsContact O-N 3.09Å; T168-C171 PolarHBondContact O-N 3.14Å; T168-I172 PolarHBondContact O-N 2.99Å
169	D	40.5	Very low	47	Very low	104 Å²	104	72.8 Å²	72.8	56%	0.556	37%	0.365	S	S	*	.	H	α-helix	trans	-44.7	-43	173.2	-72.7	-27.4	0	0	0	112.5	C171 I172 Y173	D169-C171 VanDerWaalsContact C-N 3.31Å; D169-C171 PolarHBondContact O-N 2.96Å; D169-I172 PolarHBondContact O-N 2.9Å; D169-Y173 HydrophobicContact CB-CD2 4.07Å; D169-Y173 HydrophobicContact CB-CE2 3.75Å; D169-Y173 WeakPolarHBondContact O-CB 3.1Å; D169-Y173 WeakPolarHBondContact O-CD2 3.21Å; D169-Y173 PolarHBondContact O-N 3.05Å
170	A	41.2	Very low	46	Very low	66 Å²	66	71.4 Å²	71.4	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-36	178.2	0	0	0	0	0	113.6	T168 K174	T168-A170 PolarHBondContact O-N 3.47Å; T168-A170 VanDerWaalsContact O-N 3.09Å; A170-K174 VanDerWaalsContact O-CB 3.26Å; A170-K174 WeakPolarHBondContact O-CB 3.47Å; A170-K174 VanDerWaalsContact O-CG 3.28Å; A170-K174 WeakPolarHBondContact O-CG 3.27Å; A170-K174 PolarHBondContact O-N 3.27Å
171	C	46.7	Very low	45.1	Very low	2 Å²	2	71.7 Å²	71.7	1%	0.014	36%	0.36	C	S	.	.	H	α-helix	trans	-77.9	-42.3	173.2	-174	0	0	0	0	111.6	I125 C166 T168 D169 Y173 K174 I175	I125-C171 HydrophobicContact CD1-CB 4.13Å; C166-C171 HydrophobicContact CB-CB 3.59Å; C166-C171 WeakPolarHBondContact CB-SG 3.4Å; C166-C171 WeakPolarHBondContact SG-CB 3.47Å; C166-C171 CovalentContact SG-SG 2.03Å; C166-C171 PolarHBondContact SG-SG 3.21Å; T168-C171 PolarHBondContact O-N 3.14Å; D169-C171 VanDerWaalsContact C-N 3.31Å; D169-C171 PolarHBondContact O-N 2.96Å; C171-Y173 PolarHBondContact O-N 2.84Å; C171-K174 PolarHBondContact O-N 3.47Å; C171-I175 PolarHBondContact O-N 3.29Å; C171-I175 VanDerWaalsContact O-N 3.12Å; C171-I175 VanDerWaalsContact SG-CD1 3.58Å
172	I	44.8	Very low	44.1	Very low	72 Å²	72	72.6 Å²	72.6	37%	0.369	37%	0.367	S	S	.	.	H	α-helix	trans	-57.6	-37.1	178.7	-63.8	170.1	0	0	0	111.3	R161 C166 T168 D169	R161-I172 PolarHBondContact NH1-O 3.39Å; C166-I172 WeakPolarHBondContact O-CG1 3.34Å; T168-I172 PolarHBondContact O-N 2.99Å; D169-I172 PolarHBondContact O-N 2.9Å
173	Y	43	Very low	42.9	Very low	131 Å²	131	76.8 Å²	76.8	51%	0.514	38%	0.376	S	S	.	.	H	α-helix	trans	-87.3	-23.9	177.9	-61.3	-45.1	0	0	0	114.8	D169 C171 L182	D169-Y173 HydrophobicContact CB-CD2 4.07Å; D169-Y173 HydrophobicContact CB-CE2 3.75Å; D169-Y173 WeakPolarHBondContact O-CB 3.1Å; D169-Y173 WeakPolarHBondContact O-CD2 3.21Å; D169-Y173 PolarHBondContact O-N 3.05Å; C171-Y173 PolarHBondContact O-N 2.84Å; Y173-L182 HydrophobicContact CD1-CD2 4.16Å; Y173-L182 HydrophobicContact CE1-CD2 3.34Å
174	K	43.1	Very low	41.7	Very low	52 Å²	52	71.7 Å²	71.7	23%	0.226	37%	0.368	C	S	.	.	H	α-helix	trans	-73.9	-44.4	177.2	-93.3	178	161.6	-115.8	0	112.3	Y122 I125 E126 V129 A170 C171	Y122-K174 VanDerWaalsContact CE2-CE 3.43Å; Y122-K174 PolarHBondContact OH-NZ 3.19Å; I125-K174 HydrophobicContact CG2-CB 4.03Å; I125-K174 HydrophobicContact CG2-CD 4.13Å; E126-K174 VanDerWaalsContact CD-NZ 3.35Å; E126-K174 IonicContact OE1-NZ 2.76Å; E126-K174 PolarHBondContact OE1-NZ 3.03Å; V129-K174 VanDerWaalsContact CG2-O 3.27Å; V129-K174 WeakPolarHBondContact CG2-O 3.4Å; A170-K174 VanDerWaalsContact O-CB 3.26Å; A170-K174 WeakPolarHBondContact O-CB 3.47Å; A170-K174 VanDerWaalsContact O-CG 3.28Å; A170-K174 WeakPolarHBondContact O-CG 3.27Å; A170-K174 PolarHBondContact O-N 3.27Å; C171-K174 PolarHBondContact O-N 3.47Å
175	I	43.8	Very low	40.5	Very low	5 Å²	5	69.6 Å²	69.6	3%	0.026	36%	0.363	C	S	.	.	S	Bend	trans	-76.2	123.4	170.8	-48.9	179	0	0	0	104.9	I125 V129 E157 R161 C171	I125-I175 HydrophobicContact CG2-CG1 4.22Å; V129-I175 HydrophobicContact CG2-CB 4.5Å; V129-I175 HydrophobicContact CG2-CG1 4.03Å; E157-I175 HydrophobicContact CG-CG2 3.43Å; E157-I175 VanDerWaalsContact CG-CG2 3.43Å; E157-I175 WeakPolarHBondContact OE1-CG2 3.17Å; R161-I175 HydrophobicContact CG-CB 4.43Å; R161-I175 HydrophobicContact CG-CD1 4Å; R161-I175 HydrophobicContact CG-CG2 4.11Å; R161-I175 VanDerWaalsContact CZ-O 3.26Å; R161-I175 PolarHBondContact NH1-O 3.28Å; R161-I175 VanDerWaalsContact NH1-O 3.15Å; R161-I175 PolarHBondContact NH2-O 3.18Å; C171-I175 PolarHBondContact O-N 3.29Å; C171-I175 VanDerWaalsContact O-N 3.12Å; C171-I175 VanDerWaalsContact SG-CD1 3.58Å
176	Q	40.4	Very low	39.6	Very low	98 Å²	98	69.7 Å²	69.7	46%	0.458	36%	0.362	S	S	.	.			trans	-100.7	92.2	-167.4	-74.8	-170.1	-2.4	0	0	114.1	E157 F178	E157-Q176 PolarHBondContact OE1-N 3.41Å; Q176-F178 PolarHBondContact O-N 2.87Å
177	L	41.1	Very low	38.6	Very low	53 Å²	53	73 Å²	73	28%	0.277	38%	0.378	S	S	.	.			trans	-83.9	62.9	174.7	-111.1	170.8	0	0	0	109.3	V154 E157 T179	V154-L177 HydrophobicContact CG1-CD2 3.45Å; V154-L177 VanDerWaalsContact CG1-CD2 3.45Å; E157-L177 PolarHBondContact OE1-N 3.2Å; L177-T179 WeakPolarHBondContact O-CG2 3.18Å; L177-T179 PolarHBondContact O-N 3.41Å; L177-T179 PolarHBondContact O-OG1 2.98Å
178	F	41.7	Very low	38.2	Very low	13 Å²	13	74.4 Å²	74.4	6%	0.057	38%	0.379	C	S	.	.	S	Bend	trans	57.2	-11.1	168.7	-72.1	-113.6	0	0	0	118.5	Y136 L150 V154 Q176 T180 H649 I652 E653	Y136-F178 HydrophobicContact CE1-CE2 4.23Å; Y136-F178 HydrophobicContact CE1-CZ 4.33Å; Y136-F178 AromaticContact CZ-CE2 3.96Å; L150-F178 HydrophobicContact CD2-CE1 4.14Å; L150-F178 HydrophobicContact CD2-CZ 3.79Å; L150-F178 HydrophobicContact CG-CZ 4.5Å; V154-F178 HydrophobicContact CG1-CE2 4.47Å; V154-F178 HydrophobicContact CG2-CD2 4.17Å; V154-F178 HydrophobicContact CG2-CE2 3.41Å; V154-F178 VanDerWaalsContact CG2-CE2 3.41Å; V154-F178 HydrophobicContact CG2-CZ 3.79Å; Q176-F178 PolarHBondContact O-N 2.87Å; F178-T180 VanDerWaalsContact C-N 3.33Å; F178-T180 PolarHBondContact O-N 3.23Å; F178-H649 HydrophobicContact CD1-CB 3.65Å; F178-H649 AromaticContact CD1-CG 3.95Å; F178-H649 AromaticContact CD1-ND1 3.46Å; F178-H649 WeakPolarHBondContact CD1-ND1 3.17Å; F178-H649 WeakPolarHBondContact CD1-O 3.34Å; F178-H649 AromaticContact CD2-ND1 3.9Å; F178-H649 HydrophobicContact CE1-CB 4.03Å; F178-H649 AromaticContact CE1-CG 3.94Å; F178-H649 AromaticContact CE1-ND1 3.1Å; F178-H649 WeakPolarHBondContact CE1-ND1 3.46Å; F178-H649 AromaticContact CE2-ND1 3.55Å; F178-H649 HydrophobicContact CG-CB 4.19Å; F178-H649 AromaticContact CG-ND1 3.84Å; F178-H649 AromaticContact CZ-CE1 3.79Å; F178-H649 AromaticContact CZ-ND1 3.15Å; F178-H649 WeakPolarHBondContact CZ-ND1 3.04Å; F178-I652 HydrophobicContact CD1-CB 4.39Å; F178-I652 HydrophobicContact CD1-CG2 4.41Å; F178-I652 HydrophobicContact CE1-CB 3.93Å; F178-I652 HydrophobicContact CE1-CD1 4.05Å; F178-I652 HydrophobicContact CE1-CG2 3.81Å; F178-E653 HydrophobicContact CB-CB 4.2Å; F178-E653 HydrophobicContact CB-CG 4.26Å; F178-E653 HydrophobicContact CD1-CB 4.38Å
179	T	39.1	Very low	37.7	Very low	60 Å²	60	77.3 Å²	77.3	37%	0.368	39%	0.391	S	S	.	.			trans	-83.2	53.6	-165.4	51.4	0	0	0	0	114.5	L177 Q181 L182	L177-T179 WeakPolarHBondContact O-CG2 3.18Å; L177-T179 PolarHBondContact O-N 3.41Å; L177-T179 PolarHBondContact O-OG1 2.98Å; T179-Q181 PolarHBondContact O-N 3.34Å; T179-Q181 VanDerWaalsContact O-N 3.17Å; T179-L182 PolarHBondContact O-N 3.28Å; T179-L182 VanDerWaalsContact O-N 3.14Å
180	T	37	Very low	37.2	Very low	38 Å²	38	77.4 Å²	77.4	23%	0.233	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.3	-178.5	80.5	0	0	0	0	113.8	F178 L182 K183 N650	F178-T180 VanDerWaalsContact C-N 3.33Å; F178-T180 PolarHBondContact O-N 3.23Å; T180-L182 PolarHBondContact O-N 2.91Å; T180-K183 PolarHBondContact O-N 2.97Å; T180-K183 VanDerWaalsContact O-N 3.15Å; T180-N650 PolarHBondContact OG1-ND2 3.05Å; T180-N650 PolarHBondContact OG1-OD1 2.92Å
181	Q	37.7	Very low	36.5	Very low	38 Å²	38	78.2 Å²	78.2	18%	0.178	39%	0.393	C	S	.	.	H	α-helix	trans	-56.6	-25.2	168.1	-74.8	-157.5	-67.9	0	0	113.9	T179 K183 A184 H185 I626	T179-Q181 PolarHBondContact O-N 3.34Å; T179-Q181 VanDerWaalsContact O-N 3.17Å; Q181-K183 PolarHBondContact O-N 3.01Å; Q181-A184 PolarHBondContact O-N 2.66Å; Q181-H185 PolarHBondContact O-CD2 2.92Å; Q181-H185 PolarHBondContact O-N 2.87Å; Q181-I626 VanDerWaalsContact NE2-CD1 3.29Å
182	L	32.4	Very low	35.4	Very low	52 Å²	52	86.8 Å²	86.8	27%	0.272	43%	0.433	S	S	.	.	H	α-helix	trans	-59.7	-37.5	177.7	-151.1	95.9	0	0	0	111.4	Y173 T179 T180 L186	Y173-L182 HydrophobicContact CD1-CD2 4.16Å; Y173-L182 HydrophobicContact CE1-CD2 3.34Å; T179-L182 PolarHBondContact O-N 3.28Å; T179-L182 VanDerWaalsContact O-N 3.14Å; T180-L182 PolarHBondContact O-N 2.91Å; L182-L186 HydrophobicContact CD2-CD1 3.78Å; L182-L186 HydrophobicContact CG-CD1 4.01Å; L182-L186 HydrophobicContact CG-CG 4.48Å; L182-L186 VanDerWaalsContact O-CB 3.31Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 VanDerWaalsContact O-CG 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 2.96Å
183	K	31.4	Very low	34.6	Very low	162 Å²	162	90.1 Å²	90.1	70%	0.704	45%	0.45	S	S	*	.	H	α-helix	trans	-63.1	-44.4	174.6	-122.4	178.9	-176.1	178.9	0	111.2	T180 Q181 L187	T180-K183 PolarHBondContact O-N 2.97Å; T180-K183 VanDerWaalsContact O-N 3.15Å; Q181-K183 PolarHBondContact O-N 3.01Å; K183-L187 VanDerWaalsContact O-CB 3.22Å; K183-L187 WeakPolarHBondContact O-CB 3.35Å; K183-L187 WeakPolarHBondContact O-CD1 3.33Å; K183-L187 WeakPolarHBondContact O-CG 3.38Å; K183-L187 PolarHBondContact O-N 2.96Å
184	A	31.7	Very low	33.8	Very low	55 Å²	55	91.9 Å²	91.9	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-68.1	-38.2	-179.5	0	0	0	0	0	113.2	Q181 R188	Q181-A184 PolarHBondContact O-N 2.66Å; A184-R188 PolarHBondContact O-N 3.43Å; A184-R188 VanDerWaalsContact O-N 3.14Å
185	H	30.8	Very low	33	Very low	72 Å²	72	94.9 Å²	94.9	33%	0.333	49%	0.488	S	S	.	.	H	α-helix	trans	-75.3	-38.6	178.1	-79.7	-102	0	0	0	112.6	Q181 R188	Q181-H185 PolarHBondContact O-CD2 2.92Å; Q181-H185 PolarHBondContact O-N 2.87Å; H185-R188 PolarHBondContact O-N 3.49Å
186	L	28.8	Very low	32.4	Very low	114 Å²	114	100.9 Å²	100.9	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-67.1	-37.3	173.2	-69.1	170.8	0	0	0	112.4	L182 R188 T190	L182-L186 HydrophobicContact CD2-CD1 3.78Å; L182-L186 HydrophobicContact CG-CD1 4.01Å; L182-L186 HydrophobicContact CG-CG 4.48Å; L182-L186 VanDerWaalsContact O-CB 3.31Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 VanDerWaalsContact O-CG 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 2.96Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-T190 PolarHBondContact O-OG1 3Å
187	L	29.6	Very low	31.8	Very low	93 Å²	93	104.9 Å²	104.9	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-71	-26.3	176.1	-72.2	168.2	0	0	0	113.1	K183 N189 T190 V191	K183-L187 VanDerWaalsContact O-CB 3.22Å; K183-L187 WeakPolarHBondContact O-CB 3.35Å; K183-L187 WeakPolarHBondContact O-CD1 3.33Å; K183-L187 WeakPolarHBondContact O-CG 3.38Å; K183-L187 PolarHBondContact O-N 2.96Å; L187-N189 PolarHBondContact O-N 2.99Å; L187-T190 PolarHBondContact O-N 3.08Å; L187-T190 VanDerWaalsContact O-N 3.1Å; L187-T190 PolarHBondContact O-OG1 3.38Å; L187-V191 PolarHBondContact O-N 2.96Å
188	R	35.4	Very low	31.4	Very low	190 Å²	190	109 Å²	109	72%	0.717	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-26.2	178.7	-109	-177.5	176.8	147.9	0.5	114	A184 H185 L186	A184-R188 PolarHBondContact O-N 3.43Å; A184-R188 VanDerWaalsContact O-N 3.14Å; H185-R188 PolarHBondContact O-N 3.49Å; L186-R188 VanDerWaalsContact C-N 3.34Å
189	N	31.7	Very low	31.5	Very low	153 Å²	153	118.6 Å²	118.6	82%	0.818	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-1.3	176.6	-74.4	5.6	0	0	0	113.8	L187	L187-N189 PolarHBondContact O-N 2.99Å
190	T	29.4	Very low	31.3	Very low	106 Å²	106	119.6 Å²	119.6	65%	0.65	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	-18.4	-177.9	42.5	0	0	0	0	115.1	L186 L187 H192	L186-T190 PolarHBondContact O-OG1 3Å; L187-T190 PolarHBondContact O-N 3.08Å; L187-T190 VanDerWaalsContact O-N 3.1Å; L187-T190 PolarHBondContact O-OG1 3.38Å; T190-H192 PolarHBondContact O-N 3.37Å
191	V	26.9	Very low	31.6	Very low	83 Å²	83	122.7 Å²	122.7	50%	0.503	62%	0.621	S	S	.	*			trans	-89.7	95.2	174.2	-171.8	0	0	0	0	110.5	L187 L193	L187-V191 PolarHBondContact O-N 2.96Å; V191-L193 HydrophobicContact CG1-CG 4.21Å; V191-L193 PolarHBondContact O-N 3.28Å
192	H	24.5	Very low	31.7	Very low	182 Å²	182	130.3 Å²	130.3	84%	0.843	65%	0.648	S	S	*	*			trans	-63.7	79.1	168.9	-165.6	-71.4	0	0	0	110.2	T190 E194	T190-H192 PolarHBondContact O-N 3.37Å; H192-E194 PolarHBondContact O-N 2.68Å
193	L	27.1	Very low	32.1	Very low	142 Å²	142	133.2 Å²	133.2	74%	0.743	66%	0.664	S	S	*	*			trans	-59.5	108	-178.1	-84	143.5	0	0	0	110.8	V191	V191-L193 HydrophobicContact CG1-CG 4.21Å; V191-L193 PolarHBondContact O-N 3.28Å
194	E	25.4	Very low	32.6	Very low	168 Å²	168	130.4 Å²	130.4	79%	0.785	66%	0.655	S	S	*	*			trans	-58.6	138.4	174.6	-168.2	173.3	-169.6	0	0	110.2	H192 I196	H192-E194 PolarHBondContact O-N 2.68Å; E194-I196 PolarHBondContact O-N 2.7Å
195	P	28.1	Very low	33	Very low	116 Å²	116	131.5 Å²	131.5	75%	0.753	65%	0.654	S	S	*	*			trans	-66.9	109.4	-169.5	-20.6	33.1	0	0	0	112.3	Q197	P195-Q197 PolarHBondContact O-N 3.15Å
196	I	29.9	Very low	33.4	Very low	131 Å²	131	133.8 Å²	133.8	67%	0.672	67%	0.668	S	S	*	*			trans	-59.5	111.6	170.4	-63.7	169.6	0	0	0	108	E194 H198	E194-I196 PolarHBondContact O-N 2.7Å; I196-H198 PolarHBondContact O-N 3.41Å
197	Q	27.8	Very low	33.7	Very low	182 Å²	182	134.8 Å²	134.8	85%	0.85	67%	0.669	S	S	*	*			trans	-69.5	91.2	178.8	-66.6	-171	12.8	0	0	110.4	P195 K199	P195-Q197 PolarHBondContact O-N 3.15Å; Q197-K199 PolarHBondContact O-N 3.43Å
198	H	34	Very low	34.2	Very low	140 Å²	140	135.2 Å²	135.2	65%	0.648	67%	0.671	S	S	*	*			trans	-62.8	108.1	171.8	-71.3	-69.8	0	0	0	110.4	I196 D200	I196-H198 PolarHBondContact O-N 3.41Å; H198-D200 PolarHBondContact O-N 3.17Å
199	K	42.1	Very low	34.2	Very low	213 Å²	213	132 Å²	132	93%	0.926	66%	0.663	S	S	*	*	S	Bend	trans	-68.6	8.8	-179	-98.1	-176.6	176.5	178.4	0	115.8	Q197	Q197-K199 PolarHBondContact O-N 3.43Å
200	D	35.2	Very low	34.4	Very low	82 Å²	82	134.8 Å²	134.8	44%	0.439	66%	0.662	S	S	.	*			trans	-140.4	105.3	169.6	-156.5	-29.4	0	0	0	111.4	H198 R202	H198-D200 PolarHBondContact O-N 3.17Å; D200-R202 PolarHBondContact O-N 3.41Å; D200-R202 VanDerWaalsContact O-N 3.12Å; D200-R202 PolarHBondContact OD1-N 3.15Å; D200-R202 IonicContact OD1-NE 3.94Å; D200-R202 PolarHBondContact OD1-NE 2.8Å
201	P	44.7	Very low	34.6	Very low	102 Å²	102	136.4 Å²	136.4	66%	0.662	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-6.6	-176.2	27.5	-34.3	0	0	0	113.9	N203	P201-N203 VanDerWaalsContact C-N 3.34Å; P201-N203 PolarHBondContact O-N 3.27Å
202	R	39.5	Very low	35.1	Very low	199 Å²	199	140.1 Å²	140.1	75%	0.751	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-17.6	-177.8	-77.5	-178.8	-85.4	-154.9	-6.6	115.1	D200	D200-R202 PolarHBondContact O-N 3.41Å; D200-R202 VanDerWaalsContact O-N 3.12Å; D200-R202 PolarHBondContact OD1-N 3.15Å; D200-R202 IonicContact OD1-NE 3.94Å; D200-R202 PolarHBondContact OD1-NE 2.8Å
203	N	39.7	Very low	35.6	Very low	113 Å²	113	142.7 Å²	142.7	60%	0.604	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-21.6	-175.8	-134.3	-7.3	0	0	0	114	P201 L206	P201-N203 VanDerWaalsContact C-N 3.34Å; P201-N203 PolarHBondContact O-N 3.27Å; N203-L206 PolarHBondContact O-N 2.86Å
204	I	42.8	Very low	35.7	Very low	102 Å²	102	140.6 Å²	140.6	52%	0.523	67%	0.672	S	S	.	*	H	α-helix	trans	-69.2	-40.1	178.7	-57.8	172.2	0	0	0	110.7	L206 H207 L208	I204-L206 PolarHBondContact O-N 3.08Å; I204-H207 PolarHBondContact O-N 3.18Å; I204-L208 PolarHBondContact O-N 3.31Å
205	D	39	Very low	35.9	Very low	79 Å²	79	138.8 Å²	138.8	42%	0.422	67%	0.667	S	S	.	*	H	α-helix	trans	-64	-27.3	-179.4	-171.7	36.5	0	0	0	112.4	K209	D205-K209 WeakPolarHBondContact O-CB 3.37Å; D205-K209 VanDerWaalsContact O-CG 3.25Å; D205-K209 WeakPolarHBondContact O-CG 3.49Å; D205-K209 PolarHBondContact O-N 2.86Å; D205-K209 WeakPolarHBondContact OD1-CD 3.22Å; D205-K209 WeakPolarHBondContact OD1-CE 3.33Å; D205-K209 IonicContact OD1-NZ 2.69Å; D205-K209 PolarHBondContact OD1-NZ 3.09Å; D205-K209 WeakPolarHBondContact OD2-CE 3.21Å; D205-K209 IonicContact OD2-NZ 3.4Å; D205-K209 PolarHBondContact OD2-NZ 2.8Å
206	L	39.8	Very low	35.9	Very low	119 Å²	119	138.7 Å²	138.7	62%	0.623	67%	0.669	S	S	*	*	H	α-helix	trans	-70.7	-41.9	173.7	-104.9	153.5	0	0	0	112.7	N203 I204 R210	N203-L206 PolarHBondContact O-N 2.86Å; I204-L206 PolarHBondContact O-N 3.08Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 3.1Å
207	H	34.7	Very low	35.8	Very low	136 Å²	136	141.3 Å²	141.3	63%	0.63	68%	0.678	S	S	*	*	H	α-helix	trans	-68.3	-41.8	174	-92.6	-93.9	0	0	0	111.9	I204 R210 M211	I204-H207 PolarHBondContact O-N 3.18Å; H207-R210 PolarHBondContact O-N 3.09Å; H207-M211 PolarHBondContact O-N 3.05Å
208	L	39.7	Very low	35.8	Very low	102 Å²	102	138.6 Å²	138.6	53%	0.534	68%	0.676	S	S	.	*	H	α-helix	trans	-71.6	-36.5	-179.1	-151.2	71.9	0	0	0	112.7	I204 R210 M211 K212	I204-L208 PolarHBondContact O-N 3.31Å; L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 3.26Å; L208-M211 PolarHBondContact O-N 3.02Å; L208-K212 PolarHBondContact O-N 2.76Å
209	K	36.9	Very low	35.4	Very low	123 Å²	123	137.3 Å²	137.3	54%	0.535	68%	0.683	S	S	.	*	H	α-helix	trans	-67.7	-26.1	171.2	-78	170.5	174.7	162.9	0	113.3	D205	D205-K209 WeakPolarHBondContact O-CB 3.37Å; D205-K209 VanDerWaalsContact O-CG 3.25Å; D205-K209 WeakPolarHBondContact O-CG 3.49Å; D205-K209 PolarHBondContact O-N 2.86Å; D205-K209 WeakPolarHBondContact OD1-CD 3.22Å; D205-K209 WeakPolarHBondContact OD1-CE 3.33Å; D205-K209 IonicContact OD1-NZ 2.69Å; D205-K209 PolarHBondContact OD1-NZ 3.09Å; D205-K209 WeakPolarHBondContact OD2-CE 3.21Å; D205-K209 IonicContact OD2-NZ 3.4Å; D205-K209 PolarHBondContact OD2-NZ 2.8Å
210	R	35	Very low	34.7	Very low	211 Å²	211	131.5 Å²	131.5	80%	0.796	68%	0.675	S	S	*	*	H	α-helix	trans	-71.2	-39.6	173.6	-148.2	172.3	-161.1	158.3	4	111.5	L206 H207 L208	L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 3.1Å; H207-R210 PolarHBondContact O-N 3.09Å; L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 3.26Å
211	M	33.1	Very low	34.1	Very low	139 Å²	139	137.4 Å²	137.4	69%	0.685	70%	0.697	S	S	*	*	H	α-helix	trans	-70	-36.5	172.8	-73.3	-176.7	176.8	0	0	113.3	H207 L208 R213 S214	H207-M211 PolarHBondContact O-N 3.05Å; L208-M211 PolarHBondContact O-N 3.02Å; M211-R213 PolarHBondContact O-N 3.08Å; M211-S214 PolarHBondContact O-OG 2.91Å
212	K	37.7	Very low	33.3	Very low	162 Å²	162	138.5 Å²	138.5	70%	0.704	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-3.5	179.8	-93.5	-172.9	173.7	-178	0	115.7	L208	L208-K212 PolarHBondContact O-N 2.76Å
213	R	34.7	Very low	32.5	Very low	235 Å²	235	138 Å²	138	89%	0.887	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	0	175.9	-89.1	-175.5	172	158.2	-1.3	115.2	M211	M211-R213 PolarHBondContact O-N 3.08Å
214	S	30.1	Very low	31.7	Very low	98 Å²	98	138 Å²	138	69%	0.685	72%	0.719	S	S	*	*	S	Bend	trans	-107	11.7	173.2	56.8	0	0	0	0	113.9	M211	M211-S214 PolarHBondContact O-OG 2.91Å
215	I	29.7	Very low	30.9	Very low	130 Å²	130	141.5 Å²	141.5	67%	0.667	74%	0.738	S	S	*	*	S	Bend	trans	-110	100.6	169.9	-57.9	176.2	0	0	0	107.5
216	S	28.4	Very low	29.9	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	75%	0.751	S	S	*	*			trans	-59.4	138	170.5	-58.2	0	0	0	0	110.3
217	E	26.2	Very low	29.2	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	76%	0.759	S	S	*	*			trans	-58.9	130.8	-176.2	-66.8	171.8	111.6	0	0	112.3	S219	E217-S219 PolarHBondContact O-N 3.15Å
218	P	28.4	Very low	28.7	Very low	125 Å²	125	144.5 Å²	144.5	81%	0.812	76%	0.764	S	S	*	*			trans	-71.6	112.4	166.5	28.3	-30.9	0	0	0	109.4	A220	P218-A220 PolarHBondContact O-N 3.35Å; P218-A220 VanDerWaalsContact O-N 3.16Å
219	S	27	Very low	27.8	Very low	113 Å²	113	147.5 Å²	147.5	79%	0.79	78%	0.78	S	S	*	*			trans	-62.3	113.6	179.3	57.1	0	0	0	0	112.4	E217 F221	E217-S219 PolarHBondContact O-N 3.15Å; S219-F221 PolarHBondContact O-N 2.94Å
220	A	25.5	Very low	27.3	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	79%	0.789	S	S	*	*	S	Bend	trans	42.4	69.8	146.1	0	0	0	0	0	118.3	P218	P218-A220 PolarHBondContact O-N 3.35Å; P218-A220 VanDerWaalsContact O-N 3.16Å
221	F	23.7	Very low	26.9	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.904	79%	0.789	S	S	*	*			trans	-150.4	72.4	151.1	-133.3	-85.5	0	0	0	114.3	S219	S219-F221 PolarHBondContact O-N 2.94Å
222	S	26.7	Very low	26.7	Very low	125 Å²	125	143.5 Å²	143.5	87%	0.874	80%	0.795	S	S	*	*			trans	-157.6	140.5	154.4	-87.6	0	0	0	0	111.2
223	K	23.5	Very low	26.1	Very low	189 Å²	189	143.6 Å²	143.6	82%	0.822	80%	0.798	S	S	*	*			trans	-83.1	144.1	-168.3	-71.8	170.2	177.2	170.2	0	112.5	L225	K223-L225 PolarHBondContact O-N 3.39Å
224	S	22.6	Very low	25.7	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	79%	0.791	S	S	*	*			trans	-3.6	105.7	151.5	59	0	0	0	0	117.2
225	L	25.5	Very low	25.6	Very low	175 Å²	175	142.5 Å²	142.5	92%	0.916	80%	0.799	S	S	*	*			trans	-128.6	112.8	140	-91.5	113	0	0	0	108.2	K223	K223-L225 PolarHBondContact O-N 3.39Å
226	S	18.8	Very low	25.5	Very low	100 Å²	100	145 Å²	145	70%	0.699	81%	0.805	S	S	*	*			trans	-90.9	119.7	167.1	68.4	0	0	0	0	108.9
227	M	25.4	Very low	25.6	Very low	160 Å²	160	147 Å²	147	79%	0.788	81%	0.807	S	S	*	*			trans	-155.2	100.5	142	-85.3	-48.2	163.2	0	0	109.6
228	N	23.4	Very low	25.6	Very low	137 Å²	137	142 Å²	142	73%	0.733	79%	0.787	S	S	*	*			trans	48.2	123.3	133.7	-46.3	-7.7	0	0	0	120.7	S230	N228-S230 PolarHBondContact O-N 3.07Å
229	D	22.5	Very low	25.9	Very low	165 Å²	165	140 Å²	140	88%	0.882	77%	0.774	S	S	*	*			trans	-56.9	118.6	153.9	-70.6	-62.1	0	0	0	111.5
230	S	26.5	Very low	26.2	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	77%	0.766	S	S	*	*				-176.6	123.4	129.4	30.7	0	0	0	0	112.5	N228	N228-S230 PolarHBondContact O-N 3.07Å
231	T	26.5	Very low	26.4	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	77%	0.765	S	S	*	*			trans	13.7	107.1	156.4	-46.1	0	0	0	0	118.7
232	I	28.1	Very low	26.7	Very low	159 Å²	159	140.8 Å²	140.8	82%	0.815	76%	0.755	S	S	*	*			trans	-125.7	97.7	151.2	-62.8	-177	0	0	0	108.3
233	E	24.4	Very low	26.8	Very low	163 Å²	163	140.9 Å²	140.9	76%	0.762	75%	0.746	S	S	*	*			trans	-66	166.7	151.5	-71.1	-174	122.9	0	0	109.7
234	I	26.9	Very low	27.1	Very low	147 Å²	147	139.3 Å²	139.3	75%	0.754	75%	0.745	S	S	*	*			trans	78.8	66.9	176.8	-39.6	166.4	0	0	0	114.3
235	L	29	Very low	27.3	Very low	163 Å²	163	141.1 Å²	141.1	85%	0.853	75%	0.746	S	S	*	*			trans	-132	56.2	134.1	-80.5	-177.5	0	0	0	110.7
236	K	26.2	Very low	27.3	Very low	182 Å²	182	141 Å²	141	79%	0.791	74%	0.738	S	S	*	*			trans	-81.4	139.5	141.4	-86.4	-173.8	173.3	-178.4	0	107
237	N	30.3	Very low	27.6	Very low	157 Å²	157	143.5 Å²	143.5	84%	0.84	74%	0.743	S	S	*	*			trans	80.8	53.5	171.6	-45	-10.1	0	0	0	117.1
238	N	26.4	Very low	27.6	Very low	81 Å²	81	143.3 Å²	143.3	43%	0.433	74%	0.74	S	S	.	*			trans	-115.9	114.9	144.2	-164.4	28.3	0	0	0	109.3	E240	N238-E240 VanDerWaalsContact C-N 3.26Å; N238-E240 PolarHBondContact ND2-OE2 3.47Å; N238-E240 PolarHBondContact O-N 3.5Å
239	P	36	Very low	27.8	Very low	84 Å²	84	144.6 Å²	144.6	55%	0.545	75%	0.747	S	S	.	*	G	3₁₀ helix	trans	-72.5	-12.1	-174.9	27.6	-34.4	0	0	0	114.5	I241 Q242	P239-I241 PolarHBondContact O-N 2.7Å; P239-Q242 WeakPolarHBondContact O-CB 3.13Å; P239-Q242 PolarHBondContact O-N 2.78Å
240	E	31.7	Very low	28.1	Very low	136 Å²	136	143.9 Å²	143.9	64%	0.636	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-62.4	-7.7	-179.6	-66.7	176.3	130.8	0	0	115	N238	N238-E240 VanDerWaalsContact C-N 3.26Å; N238-E240 PolarHBondContact ND2-OE2 3.47Å; N238-E240 PolarHBondContact O-N 3.5Å
241	I	31.2	Very low	28.2	Very low	141 Å²	141	147.5 Å²	147.5	72%	0.723	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-89.6	-7.8	173.6	-54	-178.5	0	0	0	111.6	P239	P239-I241 PolarHBondContact O-N 2.7Å
242	Q	28.1	Very low	28.4	Very low	149 Å²	149	148.5 Å²	148.5	70%	0.696	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-81	-17.6	169.8	-68.7	179.3	-29	0	0	112.7	P239 L244 L245	P239-Q242 WeakPolarHBondContact O-CB 3.13Å; P239-Q242 PolarHBondContact O-N 2.78Å; Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 3.45Å; Q242-L245 PolarHBondContact O-N 2.73Å
243	D	30.4	Very low	28.5	Very low	128 Å²	128	148.1 Å²	148.1	68%	0.684	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-84.6	13.1	-178.3	-75.2	-20.4	0	0	0	114.7
244	L	28.6	Very low	28.8	Very low	155 Å²	155	146.1 Å²	146.1	81%	0.812	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-107.7	12	167.8	-83.4	169.1	0	0	0	113.3	Q242	Q242-L244 VanDerWaalsContact C-N 3.27Å; Q242-L244 PolarHBondContact O-N 3.45Å
245	L	27.5	Very low	29.4	Very low	151 Å²	151	148.1 Å²	148.1	79%	0.791	75%	0.753	S	S	*	*	S	Bend	trans	-106.9	12.2	173.8	-107.9	87.6	0	0	0	114.5	Q242	Q242-L245 PolarHBondContact O-N 2.73Å
246	F	24.5	Very low	29.7	Very low	172 Å²	172	145.5 Å²	145.5	75%	0.754	74%	0.74	S	S	*	*			trans	-130.7	153.3	168.7	-72.1	-81.4	0	0	0	109.7
247	L	25.8	Very low	30	Very low	153 Å²	153	141.2 Å²	141.2	80%	0.801	73%	0.726	S	S	*	*			trans	86.9	115.6	-162.2	-55	167.7	0	0	0	112.1
248	H	25.3	Very low	30.1	Very low	156 Å²	156	136.6 Å²	136.6	72%	0.722	71%	0.709	S	S	*	*			cis	-133.3	127.4	14.1	-76.5	-91.9	0	0	0	113
249	D	27.5	Very low	30.2	Very low	164 Å²	164	138.4 Å²	138.4	88%	0.877	72%	0.719	S	S	*	*			trans	-77.8	112.8	145.4	-73.1	-56.1	0	0	0	107.3
250	D	29.6	Very low	29.7	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	73%	0.727	S	S	*	*			trans	-160.4	150.6	152.5	-99.8	-38.5	0	0	0	108.6
251	H	27.1	Very low	29.7	Very low	177 Å²	177	142.6 Å²	142.6	82%	0.819	73%	0.726	S	S	*	*			trans	-65.9	166.8	-165.4	-65.8	-36.4	0	0	0	116.5
252	D	30.9	Very low	29.4	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	72%	0.72	S	S	*	*			trans	70.5	90.5	173.9	-60.2	-24.2	0	0	0	116
253	D	31.2	Very low	29.8	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	72%	0.72	S	S	*	*				-174.1	141.5	99.9	-93.7	-30.7	0	0	0	111.7	E255	D253-E255 PolarHBondContact O-N 2.83Å
254	T	31.2	Very low	29.7	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	72%	0.723	S	S	*	*			trans	-19.7	104.9	174.9	50.1	0	0	0	0	116.9	D256	T254-D256 PolarHBondContact O-N 3.38Å; T254-D256 VanDerWaalsContact O-N 3.14Å
255	E	38.2	Very low	29.9	Very low	189 Å²	189	138 Å²	138	88%	0.883	71%	0.712	S	S	*	*			trans	-64.1	110.4	148.1	-70.4	-165.2	159.2	0	0	107.3	D253 D257	D253-E255 PolarHBondContact O-N 2.83Å; E255-D257 PolarHBondContact O-N 2.73Å
256	D	36.3	Very low	30	Very low	108 Å²	108	138.6 Å²	138.6	58%	0.578	72%	0.716	S	S	*	*			trans	-76	63.7	-176	-143.2	13.6	0	0	0	109.4	T254 A258	T254-D256 PolarHBondContact O-N 3.38Å; T254-D256 VanDerWaalsContact O-N 3.14Å; D256-A258 PolarHBondContact O-N 3.22Å
257	D	32.5	Very low	30.1	Very low	91 Å²	91	138.5 Å²	138.5	49%	0.487	72%	0.715	S	S	.	*			trans	-66.3	106.8	-179.2	-174.8	2.9	0	0	0	109.5	E255 L259 R260	E255-D257 PolarHBondContact O-N 2.73Å; D257-L259 PolarHBondContact O-N 2.65Å; D257-L259 VanDerWaalsContact OD1-CB 3.25Å; D257-L259 WeakPolarHBondContact OD1-CB 3.45Å; D257-L259 VanDerWaalsContact OD1-CG 3.23Å; D257-L259 WeakPolarHBondContact OD1-CG 3.04Å; D257-L259 PolarHBondContact OD1-N 2.8Å; D257-R260 WeakPolarHBondContact O-CB 3.04Å; D257-R260 PolarHBondContact O-N 2.98Å
258	A	33	Very low	30.2	Very low	60 Å²	60	138.9 Å²	138.9	50%	0.496	72%	0.717	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.9	-1.3	177.6	0	0	0	0	0	114.1	D256	D256-A258 PolarHBondContact O-N 3.22Å
259	L	28.4	Very low	30.2	Very low	120 Å²	120	138.2 Å²	138.2	63%	0.628	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-18.6	169.5	-56.7	174.1	0	0	0	113.6	D257 L261	D257-L259 PolarHBondContact O-N 2.65Å; D257-L259 VanDerWaalsContact OD1-CB 3.25Å; D257-L259 WeakPolarHBondContact OD1-CB 3.45Å; D257-L259 VanDerWaalsContact OD1-CG 3.23Å; D257-L259 WeakPolarHBondContact OD1-CG 3.04Å; D257-L259 PolarHBondContact OD1-N 2.8Å; L259-L261 PolarHBondContact O-N 3.19Å
260	R	25.4	Very low	30.1	Very low	188 Å²	188	137.6 Å²	137.6	71%	0.709	71%	0.714	S	S	*	*			trans	-70.5	94.8	-179.5	-175.3	174.4	171	156.6	4.1	111.2	D257 D263	D257-R260 WeakPolarHBondContact O-CB 3.04Å; D257-R260 PolarHBondContact O-N 2.98Å; R260-D263 IonicContact CZ-OD2 2.64Å; R260-D263 IonicContact NH2-OD2 3.9Å; R260-D263 PolarHBondContact NH2-OD2 3.34Å
261	L	30.1	Very low	30	Very low	120 Å²	120	137.1 Å²	137.1	63%	0.628	71%	0.71	S	S	*	*			trans	-60.8	141.1	160.7	-68	169	0	0	0	109	L259 D263	L259-L261 PolarHBondContact O-N 3.19Å; L261-D263 PolarHBondContact O-N 3.35Å
262	P	26.7	Very low	29.8	Very low	92 Å²	92	138.4 Å²	138.4	60%	0.597	71%	0.708	S	S	*	*			trans	-65	136.4	174.2	26.6	-33.2	0	0	0	110.2	E264	P262-E264 PolarHBondContact O-N 2.88Å
263	D	35.3	Very low	29.7	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	71%	0.709	S	S	*	*	S	Bend	trans	-63.7	-7	-177.3	-59.8	-68.7	0	0	0	113.8	R260 L261 V265	R260-D263 IonicContact CZ-OD2 2.64Å; R260-D263 IonicContact NH2-OD2 3.9Å; R260-D263 PolarHBondContact NH2-OD2 3.34Å; L261-D263 PolarHBondContact O-N 3.35Å; D263-V265 VanDerWaalsContact C-N 3.32Å; D263-V265 PolarHBondContact O-N 2.84Å
264	E	29	Very low	29.2	Very low	162 Å²	162	142 Å²	142	76%	0.757	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-87.1	36.2	-179.1	-64.2	-157.6	127.7	0	0	115	P262 N266	P262-E264 PolarHBondContact O-N 2.88Å; E264-N266 VanDerWaalsContact C-N 3.34Å
265	V	32.1	Very low	29	Very low	95 Å²	95	143.2 Å²	143.2	58%	0.576	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-78	-21.9	168.7	-164.7	0	0	0	0	111.8	D263 K267	D263-V265 VanDerWaalsContact C-N 3.32Å; D263-V265 PolarHBondContact O-N 2.84Å; V265-K267 PolarHBondContact O-N 3.48Å
266	N	29.9	Very low	28.5	Very low	163 Å²	163	140.6 Å²	140.6	87%	0.872	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-75.4	20.1	-178.8	-79	-13.1	0	0	0	115.5	E264	E264-N266 VanDerWaalsContact C-N 3.34Å
267	K	26.2	Very low	28.2	Very low	170 Å²	170	143.3 Å²	143.3	74%	0.739	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-134.5	6.2	177.2	-95.9	-174.4	-178.3	173.7	0	116.5	V265 N269	V265-K267 PolarHBondContact O-N 3.48Å; K267-N269 PolarHBondContact O-N 2.85Å
268	L	28.1	Very low	27.9	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	73%	0.729	S	S	*	*			trans	-73.3	77.8	160.4	-82.3	167	0	0	0	109.2	L270	L268-L270 PolarHBondContact O-N 2.83Å
269	N	26.5	Very low	27.7	Very low	142 Å²	142	151.1 Å²	151.1	76%	0.759	74%	0.744	S	S	*	*			trans	-49.3	126.9	165.2	-90.8	-37.9	0	0	0	108.4	K267 I271	K267-N269 PolarHBondContact O-N 2.85Å; N269-I271 VanDerWaalsContact C-N 3.27Å; N269-I271 PolarHBondContact O-N 3.04Å
270	L	25.3	Very low	27.7	Very low	151 Å²	151	153.1 Å²	153.1	79%	0.791	76%	0.755	S	S	*	*			trans	-61	86.8	176.7	-171.2	76.1	0	0	0	109.5	L268 R272	L268-L270 PolarHBondContact O-N 2.83Å; L270-R272 PolarHBondContact O-N 3.45Å
271	I	26.8	Very low	27.8	Very low	140 Å²	140	148.1 Å²	148.1	72%	0.718	75%	0.749	S	S	*	*			trans	-67	90.7	168.1	-62.1	178.5	0	0	0	106	N269 H273	N269-I271 VanDerWaalsContact C-N 3.27Å; N269-I271 PolarHBondContact O-N 3.04Å; I271-H273 PolarHBondContact O-N 3.31Å
272	R	22.3	Very low	27.6	Very low	205 Å²	205	148 Å²	148	77%	0.774	75%	0.753	S	S	*	*			trans	-57.2	93.2	160.3	-77.7	179	170.6	155.2	-3.1	107.3	L270 R274	L270-R272 PolarHBondContact O-N 3.45Å; R272-R274 PolarHBondContact O-N 3.01Å
273	H	28.4	Very low	27.5	Very low	179 Å²	179	148.3 Å²	148.3	83%	0.829	75%	0.753	S	S	*	*			trans	-66.5	89.3	151.5	-97.2	-66.2	0	0	0	107.4	I271	I271-H273 PolarHBondContact O-N 3.31Å
274	R	22.1	Very low	26.9	Very low	196 Å²	196	148.2 Å²	148.2	74%	0.74	75%	0.753	S	S	*	*			trans	-53	150.2	154.7	-87.2	178.9	164.7	155.8	-5.2	109.4	R272	R272-R274 PolarHBondContact O-N 3.01Å
275	Q	26.9	Very low	26.7	Very low	148 Å²	148	150.4 Å²	150.4	69%	0.692	75%	0.754	S	S	*	*			trans	25.2	124.2	135.7	-91.9	93.5	14.3	0	0	116.5
276	D	26.8	Very low	26.2	Very low	134 Å²	134	150.9 Å²	150.9	72%	0.717	76%	0.757	S	S	*	*			cis	-160.3	142.7	40.5	-73.7	-55.7	0	0	0	110.7
277	D	31	Very low	25.8	Very low	165 Å²	165	150 Å²	150	88%	0.882	75%	0.753	S	S	*	*				174.9	127.1	124.8	-92.6	-22.5	0	0	0	109.1
278	D	26.1	Very low	25.8	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	76%	0.756	S	S	*	*			trans	-71.5	129.5	-178.2	-59.4	-66.1	0	0	0	111.4
279	D	29.2	Very low	25.7	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	76%	0.755	S	S	*	*			trans	-153.2	108.5	144.7	-128.3	-18.9	0	0	0	110.4	S281	D279-S281 PolarHBondContact O-N 2.98Å
280	D	26.8	Very low	25.6	Very low	162 Å²	162	148.9 Å²	148.9	87%	0.866	76%	0.756	S	S	*	*			trans	-67.7	62.3	173.5	-90.2	-43.3	0	0	0	110.9	V282	D280-V282 VanDerWaalsContact C-N 3.27Å; D280-V282 PolarHBondContact O-N 3.38Å
281	S	27.7	Very low	25.7	Very low	83 Å²	83	145.5 Å²	145.5	58%	0.58	75%	0.745	S	S	*	*			trans	-90.4	69.5	169.6	68	0	0	0	0	109.8	D279 T283	D279-S281 PolarHBondContact O-N 2.98Å; S281-T283 PolarHBondContact O-N 3.49Å; S281-T283 PolarHBondContact O-OG1 2.84Å
282	V	25.7	Very low	25.5	Very low	117 Å²	117	149.1 Å²	149.1	71%	0.709	76%	0.755	S	S	*	*			trans	-59.3	80.5	149.5	-179.1	0	0	0	0	106.4	D280 N284	D280-V282 VanDerWaalsContact C-N 3.27Å; D280-V282 PolarHBondContact O-N 3.38Å; V282-N284 PolarHBondContact O-N 2.66Å
283	T	26.3	Very low	25.7	Very low	99 Å²	99	146.5 Å²	146.5	61%	0.607	75%	0.752	S	S	*	*			trans	-71.1	83.8	174.9	32.9	0	0	0	0	106.4	S281 W285	S281-T283 PolarHBondContact O-N 3.49Å; S281-T283 PolarHBondContact O-OG1 2.84Å; T283-W285 VanDerWaalsContact C-N 3.32Å; T283-W285 PolarHBondContact O-N 3.2Å
284	N	21.7	Very low	25.6	Very low	126 Å²	126	147.6 Å²	147.6	67%	0.674	75%	0.754	S	S	*	*			trans	-50.4	103.7	159.7	-79.2	-37.7	0	0	0	106.9	V282 T286	V282-N284 PolarHBondContact O-N 2.66Å; N284-T286 HydrophobicContact CB-CG2 4.12Å; N284-T286 PolarHBondContact O-N 2.79Å
285	W	24.1	Very low	25.7	Very low	207 Å²	207	141.7 Å²	141.7	78%	0.784	74%	0.743	S	S	*	*			trans	-70.6	68.3	159.3	-78.3	43.1	0	0	0	107	T283 N287	T283-W285 VanDerWaalsContact C-N 3.32Å; T283-W285 PolarHBondContact O-N 3.2Å; W285-N287 PolarHBondContact O-N 2.7Å
286	T	21.8	Very low	26	Very low	105 Å²	105	140.1 Å²	140.1	64%	0.644	74%	0.738	S	S	*	*			trans	-53.5	131.9	166	41.3	0	0	0	0	107.9	N284 N288	N284-T286 HydrophobicContact CB-CG2 4.12Å; N284-T286 PolarHBondContact O-N 2.79Å; T286-N288 PolarHBondContact O-N 2.76Å
287	N	22.5	Very low	26.1	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	74%	0.738	S	S	*	*			trans	-47.8	108.5	-179.5	-63.5	-44.9	0	0	0	111.3	W285 N289	W285-N287 PolarHBondContact O-N 2.7Å; N287-N289 VanDerWaalsContact C-N 3.26Å; N287-N289 PolarHBondContact O-N 3.04Å
288	N	24.8	Very low	26.4	Very low	151 Å²	151	137.6 Å²	137.6	81%	0.807	71%	0.713	S	S	*	*			trans	-67.6	93.7	161.7	-87.6	-12.3	0	0	0	107.5	T286 D290	T286-N288 PolarHBondContact O-N 2.76Å; N288-D290 PolarHBondContact O-N 3.01Å
289	N	26.8	Very low	27.2	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	71%	0.706	S	S	*	*			trans	-69.2	61.1	169.6	-84.1	-21.6	0	0	0	110.5	N287	N287-N289 VanDerWaalsContact C-N 3.26Å; N287-N289 PolarHBondContact O-N 3.04Å
290	D	24.4	Very low	28	Very low	146 Å²	146	132.1 Å²	132.1	78%	0.781	68%	0.683	S	S	*	*			trans	-134.6	60.4	178.1	-95.7	-40.6	0	0	0	111.5	N288	N288-D290 PolarHBondContact O-N 3.01Å
291	S	26.9	Very low	29	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	67%	0.669	S	S	*	*				-179.9	149.8	128.9	43.8	0	0	0	0	111.1	H293	S291-H293 PolarHBondContact O-N 3.3Å; S291-H293 PolarHBondContact OG-CD2 3.17Å; S291-H293 PolarHBondContact OG-NE2 3.14Å
292	K	23.4	Very low	30	Very low	216 Å²	216	127.7 Å²	127.7	94%	0.939	66%	0.658	S	S	*	*			trans	-71	66.4	164.4	-74.3	178.1	174.6	174.5	0	109.8	K294	K292-K294 VanDerWaalsContact C-N 3.34Å; K292-K294 PolarHBondContact O-N 2.72Å
293	H	26.9	Very low	31	Very low	150 Å²	150	126.5 Å²	126.5	69%	0.694	64%	0.643	S	S	*	*			trans	-63.1	100.9	164.1	-82	-58.7	0	0	0	107.9	S291 S295	S291-H293 PolarHBondContact O-N 3.3Å; S291-H293 PolarHBondContact OG-CD2 3.17Å; S291-H293 PolarHBondContact OG-NE2 3.14Å; H293-S295 PolarHBondContact O-N 2.95Å
294	K	25.2	Very low	32.3	Very low	202 Å²	202	122.3 Å²	122.3	88%	0.878	62%	0.617	S	S	*	*			trans	-55.8	108.4	169.5	-164.9	179.7	-172.3	-178.7	0	105.9	K292 I296	K292-K294 VanDerWaalsContact C-N 3.34Å; K292-K294 PolarHBondContact O-N 2.72Å; K294-I296 PolarHBondContact O-N 3.04Å
295	S	25.5	Very low	33.9	Very low	72 Å²	72	119.8 Å²	119.8	50%	0.503	60%	0.604	S	S	.	*			trans	-50.2	136.7	-177.3	52.5	0	0	0	0	109.5	H293 K297	H293-S295 PolarHBondContact O-N 2.95Å; S295-K297 VanDerWaalsContact C-N 3.3Å; S295-K297 PolarHBondContact O-N 2.97Å
296	I	31.4	Very low	35.2	Very low	114 Å²	114	110 Å²	110	59%	0.585	57%	0.566	S	S	*	*			trans	-61.2	100.3	174.5	-62.5	173.8	0	0	0	106.3	K294 F298	K294-I296 PolarHBondContact O-N 3.04Å; I296-F298 VanDerWaalsContact C-N 3.35Å; I296-F298 HydrophobicContact CB-CE2 4.25Å; I296-F298 HydrophobicContact CG2-CD2 4.13Å; I296-F298 HydrophobicContact CG2-CE1 4.3Å; I296-F298 HydrophobicContact CG2-CE2 3.69Å; I296-F298 HydrophobicContact CG2-CZ 3.78Å; I296-F298 PolarHBondContact O-N 2.92Å
297	K	29.4	Very low	36.5	Very low	169 Å²	169	105.3 Å²	105.3	74%	0.735	54%	0.539	S	S	*	.			trans	-76.6	94.2	172.8	-75.4	-165	175.3	-169.6	0	106.8	S295 D299	S295-K297 VanDerWaalsContact C-N 3.3Å; S295-K297 PolarHBondContact O-N 2.97Å; K297-D299 PolarHBondContact O-N 2.98Å
298	F	36.9	Very low	38	Very low	77 Å²	77	104.2 Å²	104.2	34%	0.338	52%	0.524	S	S	.	.			trans	-59.1	126.3	154.6	-63.3	-81.4	0	0	0	107	W146 I296 N300	W146-F298 AromaticContact NE1-CE2 3.67Å; W146-F298 AromaticContact NE1-CZ 3.44Å; I296-F298 VanDerWaalsContact C-N 3.35Å; I296-F298 HydrophobicContact CB-CE2 4.25Å; I296-F298 HydrophobicContact CG2-CD2 4.13Å; I296-F298 HydrophobicContact CG2-CE1 4.3Å; I296-F298 HydrophobicContact CG2-CE2 3.69Å; I296-F298 HydrophobicContact CG2-CZ 3.78Å; I296-F298 PolarHBondContact O-N 2.92Å; F298-N300 PolarHBondContact O-N 3.07Å
299	D	44.7	Very low	39.3	Very low	141 Å²	141	99.4 Å²	99.4	75%	0.754	50%	0.496	S	S	*	.	S	Bend	trans	-61.6	-16.1	-178.3	-63.7	-68.3	0	0	0	112.1	K297 R308	K297-D299 PolarHBondContact O-N 2.98Å; D299-R308 IonicContact OD2-CZ 2.69Å; D299-R308 IonicContact OD2-NH1 3.92Å; D299-R308 PolarHBondContact OD2-NH1 2.93Å
300	N	45	Very low	40.5	Very low	60 Å²	60	92.3 Å²	92.3	32%	0.321	46%	0.458	S	S	.	.			trans	-144.4	122.8	163.7	-175.1	-7.4	0	0	0	110	F298 D302 K303	F298-N300 PolarHBondContact O-N 3.07Å; N300-D302 PolarHBondContact O-N 3.28Å; N300-D302 WeakPolarHBondContact OD1-CB 3.4Å; N300-D302 PolarHBondContact OD1-N 3.14Å; N300-K303 HydrophobicContact CB-CB 4.3Å; N300-K303 PolarHBondContact O-N 2.88Å
301	P	47.9	Very low	41.7	Very low	88 Å²	88	90.6 Å²	90.6	57%	0.571	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19	175.6	29.1	-36.8	0	0	0	113.4	I637	P301-I637 WeakPolarHBondContact O-CD1 3.31Å
302	D	48.5	Very low	43.1	Very low	64 Å²	64	90.7 Å²	90.7	34%	0.342	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.3	178.5	-62.6	-52	0	0	0	113.4	N300 D636 I637 N638	N300-D302 PolarHBondContact O-N 3.28Å; N300-D302 WeakPolarHBondContact OD1-CB 3.4Å; N300-D302 PolarHBondContact OD1-N 3.14Å; D302-D636 CarbonylContact O-C 3.59Å; D302-I637 WeakPolarHBondContact O-CG1 3.47Å; D302-I637 PolarHBondContact O-N 2.98Å; D302-N638 WeakPolarHBondContact CB-ND2 3.32Å; D302-N638 PolarHBondContact OD1-ND2 2.84Å
303	K	47.2	Very low	44.3	Very low	93 Å²	93	80.6 Å²	80.6	40%	0.404	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	116.9	-177.2	-63.3	-168.5	173.7	-169.9	0	112.7	N300 I635 D636	N300-K303 HydrophobicContact CB-CB 4.3Å; N300-K303 PolarHBondContact O-N 2.88Å; K303-I635 CarbonylContact C-O 3.53Å; K303-I635 WeakPolarHBondContact CA-O 3.41Å; K303-D636 WeakPolarHBondContact CE-OD2 3.38Å; K303-D636 HydrophobicContact CG-CB 4.26Å; K303-D636 IonicContact NZ-OD2 3.83Å
304	I	53.8	Low	45.5	Very low	11 Å²	11	74.8 Å²	74.8	6%	0.056	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.4	169.8	-62.4	173.3	0	0	0	108	I140 V306 S634 I635 I637 L648	I140-I304 HydrophobicContact CG2-CD1 3.72Å; I304-V306 HydrophobicContact CG2-CG2 4.1Å; I304-V306 PolarHBondContact O-N 3.1Å; I304-V306 VanDerWaalsContact O-N 3.13Å; I304-S634 CarbonylContact O-C 3.57Å; I304-I635 PolarHBondContact N-O 3.24Å; I304-I635 PolarHBondContact O-N 3.43Å; I304-I637 HydrophobicContact CD1-CD1 3.98Å; I304-I637 HydrophobicContact CD1-CG1 4.16Å; I304-I637 HydrophobicContact CG1-CD1 3.67Å; I304-I637 HydrophobicContact CG1-CG1 3.93Å; I304-L648 HydrophobicContact CD1-CD1 3.86Å; I304-L648 HydrophobicContact CD1-CD2 4.11Å
305	D	53.8	Low	46.5	Very low	73 Å²	73	66.7 Å²	66.7	39%	0.39	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	96	165.7	-172.9	-13.6	0	0	0	109.3	A307 R308 F309	D305-A307 VanDerWaalsContact C-N 3.26Å; D305-A307 WeakPolarHBondContact OD1-CA 3.43Å; D305-A307 VanDerWaalsContact OD1-CB 3.28Å; D305-A307 WeakPolarHBondContact OD1-CB 3.19Å; D305-A307 PolarHBondContact OD1-N 3.41Å; D305-R308 HydrophobicContact CB-CB 3.88Å; D305-R308 VanDerWaalsContact CG-CB 3.43Å; D305-R308 PolarHBondContact O-N 3Å; D305-R308 PolarHBondContact OD1-N 3Å; D305-R308 WeakPolarHBondContact OD2-CB 3.37Å; D305-F309 PolarHBondContact O-N 3.02Å
306	V	52.4	Low	47.6	Very low	0 Å²	0	65 Å²	65	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-31.7	178.1	-178	0	0	0	0	110.9	I304 F309 S310 F630 E633 I635 V651	I304-V306 HydrophobicContact CG2-CG2 4.1Å; I304-V306 PolarHBondContact O-N 3.1Å; I304-V306 VanDerWaalsContact O-N 3.13Å; V306-F309 PolarHBondContact O-N 2.86Å; V306-S310 WeakPolarHBondContact O-CB 3.29Å; V306-S310 PolarHBondContact O-N 2.9Å; V306-S310 PolarHBondContact O-OG 3.27Å; V306-F630 HydrophobicContact CG1-CB 3.53Å; V306-F630 HydrophobicContact CG1-CG 4.12Å; V306-E633 VanDerWaalsContact CB-O 3.23Å; V306-E633 WeakPolarHBondContact CB-O 3.28Å; V306-E633 WeakPolarHBondContact CG2-O 3.32Å; V306-E633 PolarHBondContact N-O 3.37Å; V306-I635 HydrophobicContact CG2-CB 4.26Å; V306-I635 HydrophobicContact CG2-CD1 3.51Å; V306-I635 HydrophobicContact CG2-CG1 3.66Å; V306-V651 HydrophobicContact CG1-CB 4.2Å; V306-V651 HydrophobicContact CG1-CG1 3.9Å; V306-V651 HydrophobicContact CG1-CG2 3.26Å
307	A	49.9	Very low	48.1	Very low	8 Å²	8	60.5 Å²	60.5	7%	0.066	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-43.5	177.1	0	0	0	0	0	111.3	D305 S310 Q311 F630 R631	D305-A307 VanDerWaalsContact C-N 3.26Å; D305-A307 WeakPolarHBondContact OD1-CA 3.43Å; D305-A307 VanDerWaalsContact OD1-CB 3.28Å; D305-A307 WeakPolarHBondContact OD1-CB 3.19Å; D305-A307 PolarHBondContact OD1-N 3.41Å; A307-S310 PolarHBondContact O-N 3.41Å; A307-S310 PolarHBondContact O-OG 2.82Å; A307-S310 VanDerWaalsContact O-OG 3.14Å; A307-Q311 WeakPolarHBondContact O-CB 3.24Å; A307-Q311 WeakPolarHBondContact O-CG 3.22Å; A307-Q311 PolarHBondContact O-N 3.03Å; A307-F630 WeakPolarHBondContact CA-O 3.2Å; A307-R631 VanDerWaalsContact CB-C 3.43Å; A307-R631 WeakPolarHBondContact CB-O 3.31Å
308	R	53.9	Low	48.3	Very low	121 Å²	121	58.1 Å²	58.1	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-46	173.2	-178	175.6	179.9	173.4	-0.2	111.4	D299 D305 Q311 E312	D299-R308 IonicContact OD2-CZ 2.69Å; D299-R308 IonicContact OD2-NH1 3.92Å; D299-R308 PolarHBondContact OD2-NH1 2.93Å; D305-R308 HydrophobicContact CB-CB 3.88Å; D305-R308 VanDerWaalsContact CG-CB 3.43Å; D305-R308 PolarHBondContact O-N 3Å; D305-R308 PolarHBondContact OD1-N 3Å; D305-R308 WeakPolarHBondContact OD2-CB 3.37Å; R308-Q311 PolarHBondContact O-N 3.29Å; R308-E312 VanDerWaalsContact O-CB 3.27Å; R308-E312 WeakPolarHBondContact O-CB 3.48Å; R308-E312 PolarHBondContact O-N 2.87Å
309	F	52.1	Low	48.5	Very low	51 Å²	51	57.6 Å²	57.6	22%	0.224	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-46.4	178.5	-172.3	-118.2	0	0	0	112.1	D305 V306 L313 V651 T655	D305-F309 PolarHBondContact O-N 3.02Å; V306-F309 PolarHBondContact O-N 2.86Å; F309-L313 HydrophobicContact CD1-CD1 3.9Å; F309-L313 HydrophobicContact CD2-CD1 4.39Å; F309-L313 HydrophobicContact CE1-CD1 3.84Å; F309-L313 HydrophobicContact CE2-CD1 4.31Å; F309-L313 HydrophobicContact CG-CD1 4.21Å; F309-L313 HydrophobicContact CZ-CD1 4.07Å; F309-L313 WeakPolarHBondContact O-CB 3.32Å; F309-L313 VanDerWaalsContact O-CD1 3.32Å; F309-L313 WeakPolarHBondContact O-CD1 3.44Å; F309-L313 VanDerWaalsContact O-CG 3.31Å; F309-L313 WeakPolarHBondContact O-CG 3.26Å; F309-L313 PolarHBondContact O-N 3Å; F309-V651 HydrophobicContact CD1-CG1 3.51Å; F309-V651 HydrophobicContact CE1-CG1 3.73Å; F309-T655 HydrophobicContact CE1-CG2 3.96Å; F309-T655 WeakPolarHBondContact CE1-OG1 3.13Å; F309-T655 HydrophobicContact CZ-CG2 3.72Å
310	S	50.8	Low	48.2	Very low	2 Å²	2	54.3 Å²	54.3	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-33.1	178.3	73.2	0	0	0	0	112.8	V306 A307 T314 L627 F630	V306-S310 WeakPolarHBondContact O-CB 3.29Å; V306-S310 PolarHBondContact O-N 2.9Å; V306-S310 PolarHBondContact O-OG 3.27Å; A307-S310 PolarHBondContact O-N 3.41Å; A307-S310 PolarHBondContact O-OG 2.82Å; A307-S310 VanDerWaalsContact O-OG 3.14Å; S310-T314 WeakPolarHBondContact O-CB 3.41Å; S310-T314 VanDerWaalsContact O-CG2 3.29Å; S310-T314 WeakPolarHBondContact O-CG2 3.45Å; S310-T314 PolarHBondContact O-N 3.23Å; S310-T314 PolarHBondContact O-OG1 3.08Å; S310-L627 VanDerWaalsContact CB-O 3.31Å; S310-L627 WeakPolarHBondContact CB-O 3.27Å; S310-F630 PolarHBondContact OG-O 3.09Å
311	Q	50.7	Low	47.6	Very low	110 Å²	110	57 Å²	57	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-74.9	-38.5	175.6	-72.9	176	38.7	0	0	113	A307 R308 T314 G315	A307-Q311 WeakPolarHBondContact O-CB 3.24Å; A307-Q311 WeakPolarHBondContact O-CG 3.22Å; A307-Q311 PolarHBondContact O-N 3.03Å; R308-Q311 PolarHBondContact O-N 3.29Å; Q311-T314 WeakPolarHBondContact CA-OG1 3.46Å; Q311-T314 PolarHBondContact O-N 2.97Å; Q311-G315 WeakPolarHBondContact O-CA 3.42Å; Q311-G315 PolarHBondContact O-N 2.94Å
312	E	55.6	Low	46.9	Very low	83 Å²	83	58.9 Å²	58.9	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-48.5	173.1	-171.4	170.2	176.9	0	0	109.8	R308 T314 G315 D316 A563	R308-E312 VanDerWaalsContact O-CB 3.27Å; R308-E312 WeakPolarHBondContact O-CB 3.48Å; R308-E312 PolarHBondContact O-N 2.87Å; E312-T314 PolarHBondContact O-N 2.9Å; E312-G315 PolarHBondContact O-N 3.2Å; E312-D316 PolarHBondContact O-N 3.4Å; E312-A563 HydrophobicContact CG-CB 4.22Å; E312-A563 WeakPolarHBondContact OE1-CB 3.5Å
313	L	48.6	Very low	46	Very low	4 Å²	4	64.1 Å²	64.1	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-46.9	174.1	-75.3	161.3	0	0	0	113.3	F309 V317 F566 L627 T655 Y658	F309-L313 HydrophobicContact CD1-CD1 3.9Å; F309-L313 HydrophobicContact CD2-CD1 4.39Å; F309-L313 HydrophobicContact CE1-CD1 3.84Å; F309-L313 HydrophobicContact CE2-CD1 4.31Å; F309-L313 HydrophobicContact CG-CD1 4.21Å; F309-L313 HydrophobicContact CZ-CD1 4.07Å; F309-L313 WeakPolarHBondContact O-CB 3.32Å; F309-L313 VanDerWaalsContact O-CD1 3.32Å; F309-L313 WeakPolarHBondContact O-CD1 3.44Å; F309-L313 VanDerWaalsContact O-CG 3.31Å; F309-L313 WeakPolarHBondContact O-CG 3.26Å; F309-L313 PolarHBondContact O-N 3Å; L313-V317 WeakPolarHBondContact O-CG2 3.22Å; L313-F566 HydrophobicContact CD2-CE1 3.98Å; L313-F566 HydrophobicContact CD2-CE2 4.18Å; L313-F566 HydrophobicContact CD2-CZ 3.48Å; L313-F566 VanDerWaalsContact CD2-CZ 3.48Å; L313-F566 HydrophobicContact CG-CZ 4.44Å; L313-L627 HydrophobicContact CD1-CD2 4.49Å; L313-T655 HydrophobicContact CD1-CG2 3.49Å; L313-T655 VanDerWaalsContact CD1-CG2 3.49Å; L313-T655 WeakPolarHBondContact CD1-OG1 3.41Å; L313-T655 HydrophobicContact CD2-CG2 3.83Å; L313-T655 HydrophobicContact CG-CG2 4.32Å; L313-Y658 HydrophobicContact CD2-CD1 4.09Å; L313-Y658 HydrophobicContact CD2-CE1 4.48Å
314	T	51.6	Low	45.1	Very low	28 Å²	28	64.1 Å²	64.1	17%	0.172	33%	0.331	C	S	.	.	H	α-helix	trans	-77.4	-25.5	-177.7	53	0	0	0	0	113.7	S310 Q311 E312 L318 L624 L627	S310-T314 WeakPolarHBondContact O-CB 3.41Å; S310-T314 VanDerWaalsContact O-CG2 3.29Å; S310-T314 WeakPolarHBondContact O-CG2 3.45Å; S310-T314 PolarHBondContact O-N 3.23Å; S310-T314 PolarHBondContact O-OG1 3.08Å; Q311-T314 WeakPolarHBondContact CA-OG1 3.46Å; Q311-T314 PolarHBondContact O-N 2.97Å; E312-T314 PolarHBondContact O-N 2.9Å; T314-L318 PolarHBondContact O-N 3.36Å; T314-L624 HydrophobicContact CG2-CD2 4.29Å; T314-L627 HydrophobicContact CG2-CB 4.38Å
315	G	46.2	Very low	43.7	Very low	32 Å²	32	72.2 Å²	72.2	33%	0.33	37%	0.368	S	S	.	.	H	α-helix	trans	-72.3	-41.1	177.1	0	0	0	0	0	112.9	Q311 E312 V317 L318 S319	Q311-G315 WeakPolarHBondContact O-CA 3.42Å; Q311-G315 PolarHBondContact O-N 2.94Å; E312-G315 PolarHBondContact O-N 3.2Å; G315-V317 VanDerWaalsContact C-N 3.28Å; G315-V317 PolarHBondContact O-N 2.9Å; G315-L318 PolarHBondContact O-N 3.47Å; G315-S319 PolarHBondContact O-N 3.06Å
316	D	48.9	Very low	42.3	Very low	37 Å²	37	74 Å²	74	20%	0.198	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-33.8	176.6	-86.5	1.7	0	0	0	112.6	E312 S319 K320 F566	E312-D316 PolarHBondContact O-N 3.4Å; D316-S319 PolarHBondContact O-OG 2.97Å; D316-S319 VanDerWaalsContact O-OG 3.11Å; D316-K320 WeakPolarHBondContact O-CB 3.23Å; D316-K320 PolarHBondContact O-N 3.41Å; D316-F566 HydrophobicContact CB-CD2 4.27Å; D316-F566 HydrophobicContact CB-CE2 4.48Å; D316-F566 VanDerWaalsContact OD2-CD2 3.22Å; D316-F566 WeakPolarHBondContact OD2-CD2 3.39Å; D316-F566 WeakPolarHBondContact OD2-CE2 3.22Å
317	V	41.6	Very low	41	Very low	19 Å²	19	80.2 Å²	80.2	12%	0.115	42%	0.419	C	S	.	.	H	α-helix	trans	-62.7	-49.9	174	-151.8	0	0	0	0	110.9	L313 G315 S319 K320 H321 Y658	L313-V317 WeakPolarHBondContact O-CG2 3.22Å; G315-V317 VanDerWaalsContact C-N 3.28Å; G315-V317 PolarHBondContact O-N 2.9Å; V317-S319 VanDerWaalsContact C-N 3.32Å; V317-S319 PolarHBondContact O-N 3.11Å; V317-K320 PolarHBondContact O-N 3.34Å; V317-H321 PolarHBondContact O-CD2 3.01Å; V317-H321 PolarHBondContact O-N 2.82Å; V317-Y658 HydrophobicContact CG1-CE2 4.18Å; V317-Y658 HydrophobicContact CG2-CE1 4.23Å; V317-Y658 HydrophobicContact CG2-CE2 3.77Å; V317-Y658 VanDerWaalsContact CG2-CZ 3.45Å; V317-Y658 WeakPolarHBondContact CG2-OH 3.11Å
318	L	35.3	Very low	39.8	Very low	119 Å²	119	83.3 Å²	83.3	62%	0.623	45%	0.445	S	S	*	.	H	α-helix	trans	-65.6	-37.1	-177.4	-72.3	165.2	0	0	0	111.2	T314 G315 I322	T314-L318 PolarHBondContact O-N 3.36Å; G315-L318 PolarHBondContact O-N 3.47Å; L318-I322 WeakPolarHBondContact O-CD1 3.48Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.31Å; L318-I322 PolarHBondContact O-N 3.13Å
319	S	39.3	Very low	38.2	Very low	66 Å²	66	81.7 Å²	81.7	46%	0.462	46%	0.458	S	S	.	.	H	α-helix	trans	-69.6	-38.8	177.2	81.5	0	0	0	0	112.8	G315 D316 V317	G315-S319 PolarHBondContact O-N 3.06Å; D316-S319 PolarHBondContact O-OG 2.97Å; D316-S319 VanDerWaalsContact O-OG 3.11Å; V317-S319 VanDerWaalsContact C-N 3.32Å; V317-S319 PolarHBondContact O-N 3.11Å
320	K	39.3	Very low	36.9	Very low	72 Å²	72	84.4 Å²	84.4	31%	0.313	48%	0.483	S	S	.	.	H	α-helix	trans	-69.4	-46.4	175.6	-78.5	-172	173.1	-170.9	0	112.7	D316 V317 I322 K323 S324 F566 E666	D316-K320 WeakPolarHBondContact O-CB 3.23Å; D316-K320 PolarHBondContact O-N 3.41Å; V317-K320 PolarHBondContact O-N 3.34Å; K320-I322 VanDerWaalsContact C-N 3.29Å; K320-I322 PolarHBondContact O-N 3.14Å; K320-K323 PolarHBondContact O-N 3.32Å; K320-K323 VanDerWaalsContact O-N 3.14Å; K320-S324 PolarHBondContact O-N 2.8Å; K320-S324 PolarHBondContact O-OG 3.48Å; K320-F566 PolarHBondContact NZ-O 2.87Å; K320-E666 IonicContact NZ-OE1 3Å; K320-E666 PolarHBondContact NZ-OE1 3.26Å; K320-E666 IonicContact NZ-OE2 2.73Å
321	H	32.6	Very low	35.6	Very low	117 Å²	117	91.2 Å²	91.2	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-31.3	-178.9	-87.1	-86.9	0	0	0	113.7	V317	V317-H321 PolarHBondContact O-CD2 3.01Å; V317-H321 PolarHBondContact O-N 2.82Å
322	I	33.1	Very low	34.2	Very low	126 Å²	126	91.3 Å²	91.3	65%	0.646	53%	0.53	S	S	*	.	H	α-helix	trans	-69.6	-36.1	176.1	-67.5	168.2	0	0	0	111.3	L318 K320	L318-I322 WeakPolarHBondContact O-CD1 3.48Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.31Å; L318-I322 PolarHBondContact O-N 3.13Å; K320-I322 VanDerWaalsContact C-N 3.29Å; K320-I322 PolarHBondContact O-N 3.14Å
323	K	30.5	Very low	32.7	Very low	175 Å²	175	92.7 Å²	92.7	76%	0.761	55%	0.545	S	S	*	.	H	α-helix	trans	-69.1	-40.1	176.9	-84.5	-179.8	174.8	173.3	0	112.6	K320 Q325 T326	K320-K323 PolarHBondContact O-N 3.32Å; K320-K323 VanDerWaalsContact O-N 3.14Å; K323-Q325 PolarHBondContact O-N 3.21Å; K323-T326 PolarHBondContact O-N 3.35Å
324	S	27.7	Very low	31.3	Very low	93 Å²	93	100.3 Å²	100.3	65%	0.65	59%	0.585	S	S	*	*	H	α-helix	trans	-68.4	-14.6	-175.3	-57.7	0	0	0	0	115	K320	K320-S324 PolarHBondContact O-N 2.8Å; K320-S324 PolarHBondContact O-OG 3.48Å
325	Q	25	Very low	30.2	Very low	181 Å²	181	106.1 Å²	106.1	85%	0.846	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	1	178.1	-149	164.7	60.3	0	0	114.1	K323 V327	K323-Q325 PolarHBondContact O-N 3.21Å; Q325-V327 PolarHBondContact O-N 2.92Å
326	T	23.8	Very low	29.2	Very low	110 Å²	110	110.8 Å²	110.8	68%	0.675	64%	0.636	S	S	*	*			trans	-97.9	59.8	171.7	-45.7	0	0	0	0	111	K323 A328	K323-T326 PolarHBondContact O-N 3.35Å; T326-A328 PolarHBondContact O-N 2.81Å
327	V	24.5	Very low	27.9	Very low	130 Å²	130	118 Å²	118	79%	0.788	67%	0.669	S	S	*	*			trans	-74.1	79.6	162.4	-176.6	0	0	0	0	107.7	Q325 A329	Q325-V327 PolarHBondContact O-N 2.92Å; V327-A329 PolarHBondContact O-N 3.47Å; V327-A329 VanDerWaalsContact O-N 3.16Å
328	A	24	Very low	27.1	Very low	73 Å²	73	122.3 Å²	122.3	60%	0.603	70%	0.699	S	S	*	*			trans	-62	114.8	162.6	0	0	0	0	0	107.2	T326 S330	T326-A328 PolarHBondContact O-N 2.81Å; A328-S330 PolarHBondContact O-N 2.83Å
329	A	21.8	Very low	26.6	Very low	88 Å²	88	123.9 Å²	123.9	73%	0.727	71%	0.709	S	S	*	*			trans	-63.6	96.2	177.8	0	0	0	0	0	109.5	V327 I331	V327-A329 PolarHBondContact O-N 3.47Å; V327-A329 VanDerWaalsContact O-N 3.16Å; A329-I331 VanDerWaalsContact C-N 3.34Å; A329-I331 PolarHBondContact O-N 3.31Å
330	S	23.5	Very low	26	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	73%	0.725	S	S	*	*			trans	-68	92.6	173.9	-62.4	0	0	0	0	109	A328 S332	A328-S330 PolarHBondContact O-N 2.83Å; S330-S332 VanDerWaalsContact C-N 3.35Å; S330-S332 PolarHBondContact O-N 3.13Å
331	I	23.7	Very low	25.4	Very low	144 Å²	144	130.3 Å²	130.3	74%	0.738	75%	0.747	S	S	*	*			trans	-67.7	98	169.1	-62.7	175.3	0	0	0	107.1	A329 T333	A329-I331 VanDerWaalsContact C-N 3.34Å; A329-I331 PolarHBondContact O-N 3.31Å; I331-T333 HydrophobicContact CG2-CG2 4.33Å; I331-T333 PolarHBondContact O-N 3.48Å
332	S	21.3	Very low	24.9	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	76%	0.761	S	S	*	*			trans	-67.6	99.1	168.4	-59	0	0	0	0	109.3	S330	S330-S332 VanDerWaalsContact C-N 3.35Å; S330-S332 PolarHBondContact O-N 3.13Å
333	T	24.3	Very low	24.4	Very low	112 Å²	112	133.9 Å²	133.9	69%	0.687	77%	0.769	S	S	*	*			trans	-118	98.9	160	34.2	0	0	0	0	109.1	I331 I335	I331-T333 HydrophobicContact CG2-CG2 4.33Å; I331-T333 PolarHBondContact O-N 3.48Å; T333-I335 PolarHBondContact O-N 2.91Å; T333-I335 VanDerWaalsContact O-N 3.08Å
334	D	20.5	Very low	24	Very low	164 Å²	164	131 Å²	131	88%	0.877	77%	0.766	S	S	*	*			trans	-59.9	102.3	168.2	-72.2	-56	0	0	0	110.4
335	I	27.2	Very low	23.7	Very low	151 Å²	151	132.5 Å²	132.5	77%	0.774	77%	0.771	S	S	*	*			trans	-135	114.6	155.7	-53.1	-178.6	0	0	0	109.4	T333 E337	T333-I335 PolarHBondContact O-N 2.91Å; T333-I335 VanDerWaalsContact O-N 3.08Å; I335-E337 PolarHBondContact O-N 3.45Å
336	T	24.9	Very low	23.6	Very low	129 Å²	129	131.5 Å²	131.5	79%	0.791	77%	0.772	S	S	*	*			trans	-35.5	119.2	172.1	39	0	0	0	0	116.5
337	E	21.4	Very low	23.5	Very low	189 Å²	189	131.8 Å²	131.8	88%	0.883	77%	0.773	S	S	*	*				25.3	93.7	127.2	-163.9	174.3	-137.4	0	0	118.2	I335	I335-E337 PolarHBondContact O-N 3.45Å
338	S	24.8	Very low	23.5	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	77%	0.772	S	S	*	*				-176.6	116.9	129.8	56	0	0	0	0	113.8
339	N	25.7	Very low	23.5	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	77%	0.772	S	S	*	*			trans	45.4	137.7	157.9	-74.6	-19.6	0	0	0	122.8
340	P	26.7	Very low	23.7	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	77%	0.772	S	S	*	*			trans	-81.7	122.2	-177.7	33.4	-33.8	0	0	0	112.4
341	I	25.8	Very low	23.8	Very low	148 Å²	148	139 Å²	139	76%	0.759	77%	0.771	S	S	*	*			trans	-113.3	117.9	165.9	-64.9	179.2	0	0	0	108.8	I343	I341-I343 PolarHBondContact O-N 2.74Å
342	N	22.1	Very low	24	Very low	156 Å²	156	139 Å²	139	83%	0.834	77%	0.773	S	S	*	*			trans	-56	116.3	169.6	-75.8	-38.3	0	0	0	110.2
343	I	23.7	Very low	24.1	Very low	161 Å²	161	140.7 Å²	140.7	83%	0.826	77%	0.773	S	S	*	*			trans	-104	96.7	165.5	-61.1	-177.2	0	0	0	108.5	I341	I341-I343 PolarHBondContact O-N 2.74Å
344	V	21.6	Very low	24.2	Very low	116 Å²	116	142 Å²	142	70%	0.703	78%	0.781	S	S	*	*			trans	-83.8	122.7	170.2	167.8	0	0	0	0	108.4
345	T	20.7	Very low	24.3	Very low	123 Å²	123	139.3 Å²	139.3	76%	0.755	78%	0.775	S	S	*	*			trans	41.4	123.7	161.6	60.5	0	0	0	0	119.5
346	N	23.5	Very low	24	Very low	160 Å²	160	137.1 Å²	137.1	86%	0.856	77%	0.773	S	S	*	*				-150.9	154.9	113.4	-145.3	-7.1	0	0	0	113
347	V	21.5	Very low	24.1	Very low	117 Å²	117	136.1 Å²	136.1	71%	0.709	77%	0.771	S	S	*	*			trans	-97.6	134.5	179.6	174.2	0	0	0	0	109
348	N	24	Very low	24.2	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	77%	0.766	S	S	*	*			trans	-174.3	138.9	134.7	-100.3	5.6	0	0	0	114.4
349	D	24.7	Very low	24.3	Very low	116 Å²	116	135 Å²	135	62%	0.62	77%	0.766	S	S	*	*			trans	68.7	107.7	145.2	-65	-47.1	0	0	0	123.8
350	H	25.4	Very low	24.3	Very low	154 Å²	154	132 Å²	132	71%	0.713	76%	0.756	S	S	*	*				81.5	108.3	125.8	-78.3	74.2	0	0	0	121.4
351	N	26.6	Very low	24	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	76%	0.761	S	S	*	*			trans	90.9	133.2	144.2	-66.3	-16	0	0	0	121.3
352	N	26.7	Very low	24.1	Very low	144 Å²	144	135.8 Å²	135.8	77%	0.77	76%	0.76	S	S	*	*			trans	82.7	92.4	161.5	-63	-6.9	0	0	0	119.4
353	N	23.8	Very low	24.2	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	75%	0.753	S	S	*	*			trans	72.7	102.4	139.6	-69	-1.2	0	0	0	120.5
354	V	26.2	Very low	24.2	Very low	139 Å²	139	133.5 Å²	133.5	84%	0.842	75%	0.754	S	S	*	*			trans	56.9	76.6	140	-163.9	0	0	0	0	114.5
355	S	22.8	Very low	24.4	Very low	107 Å²	107	136 Å²	136	75%	0.748	76%	0.758	S	S	*	*			trans	-48.5	139.3	161.4	-51.9	0	0	0	0	111.4	S357	S355-S357 PolarHBondContact O-N 2.9Å
356	S	22.4	Very low	24.6	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	76%	0.76	S	S	*	*			trans	-52.8	120.8	166.2	42.3	0	0	0	0	110.9	V358	S356-V358 PolarHBondContact O-N 2.88Å
357	S	25.9	Very low	24.5	Very low	107 Å²	107	138 Å²	138	75%	0.748	76%	0.757	S	S	*	*			trans	-67.5	95.6	169.2	-59.1	0	0	0	0	109.2	S355 I359	S355-S357 PolarHBondContact O-N 2.9Å; S357-I359 PolarHBondContact O-N 3.2Å
358	V	23.7	Very low	24.5	Very low	128 Å²	128	139.3 Å²	139.3	78%	0.776	76%	0.761	S	S	*	*			trans	-66.9	89	165.4	-179.5	0	0	0	0	107.5	S356 S360	S356-V358 PolarHBondContact O-N 2.88Å; V358-S360 PolarHBondContact O-N 3.35Å; V358-S360 VanDerWaalsContact O-N 3.12Å
359	I	27.3	Very low	24.4	Very low	148 Å²	148	138.1 Å²	138.1	76%	0.759	76%	0.758	S	S	*	*			trans	-77.3	96.8	169.6	-60.2	179.4	0	0	0	106.5	S357 F361	S357-I359 PolarHBondContact O-N 3.2Å; I359-F361 PolarHBondContact O-N 2.79Å
360	S	24.9	Very low	24.2	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-59.5	131	170.9	45.9	0	0	0	0	110.1	V358 I362	V358-S360 PolarHBondContact O-N 3.35Å; V358-S360 VanDerWaalsContact O-N 3.12Å; S360-I362 PolarHBondContact O-N 3.33Å
361	F	21.7	Very low	24.1	Very low	208 Å²	208	137.3 Å²	137.3	91%	0.912	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-60.5	121	173.4	-75.8	-102.5	0	0	0	110.1	I359	I359-F361 PolarHBondContact O-N 2.79Å
362	I	26.3	Very low	24	Very low	146 Å²	146	137.3 Å²	137.3	75%	0.749	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-99.3	119.2	159.4	-59.9	178.2	0	0	0	106	S360 I364	S360-I362 PolarHBondContact O-N 3.33Å; I362-I364 PolarHBondContact O-N 3.46Å
363	P	24.9	Very low	23.7	Very low	106 Å²	106	137.9 Å²	137.9	69%	0.688	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-67.8	129.5	-177.2	27.2	-33.4	0	0	0	110.2	Q365	P363-Q365 PolarHBondContact O-N 3.32Å
364	I	24.2	Very low	23.8	Very low	163 Å²	163	139.8 Å²	139.8	84%	0.836	77%	0.772	S	S	*	*			trans	-68.2	107.1	171.9	-63.2	176.6	0	0	0	107.4	I362	I362-I364 PolarHBondContact O-N 3.46Å
365	Q	25.4	Very low	23.5	Very low	168 Å²	168	137.5 Å²	137.5	79%	0.785	76%	0.763	S	S	*	*			trans	-62.3	145.5	175.5	-69.2	171.9	-22.5	0	0	110.3	P363 L367	P363-Q365 PolarHBondContact O-N 3.32Å; Q365-L367 PolarHBondContact O-N 2.87Å
366	Q	24.7	Very low	23.4	Very low	173 Å²	173	139.6 Å²	139.6	81%	0.808	77%	0.765	S	S	*	*			trans	-56.3	126.2	178.4	-66.5	164.1	-55.3	0	0	110.3	N368	Q366-N368 VanDerWaalsContact C-N 3.32Å; Q366-N368 PolarHBondContact O-N 2.85Å
367	L	22	Very low	23.4	Very low	152 Å²	152	141.7 Å²	141.7	80%	0.796	77%	0.768	S	S	*	*			trans	-70.3	92.1	168.4	-91.7	91.7	0	0	0	109.3	Q365 V369	Q365-L367 PolarHBondContact O-N 2.87Å; L367-V369 PolarHBondContact O-N 3.4Å; L367-V369 VanDerWaalsContact O-N 3.08Å
368	N	21.2	Very low	23.1	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	77%	0.768	S	S	*	*			trans	-71	95.7	162.8	-74.1	-10.1	0	0	0	108.7	Q366 S370	Q366-N368 VanDerWaalsContact C-N 3.32Å; Q366-N368 PolarHBondContact O-N 2.85Å; N368-S370 PolarHBondContact O-N 3.12Å; N368-S370 VanDerWaalsContact O-N 3.15Å
369	V	21.7	Very low	23	Very low	114 Å²	114	142.7 Å²	142.7	69%	0.691	76%	0.763	S	S	*	*			trans	-76.5	97.6	165.6	179.6	0	0	0	0	107.6	L367 I371	L367-V369 PolarHBondContact O-N 3.4Å; L367-V369 VanDerWaalsContact O-N 3.08Å; V369-I371 HydrophobicContact CG1-CG1 4.4Å; V369-I371 PolarHBondContact O-N 3.01Å
370	S	19.9	Very low	22.8	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	77%	0.768	S	S	*	*			trans	-66.1	123.3	172.9	-150.4	0	0	0	0	109.3	N368	N368-S370 PolarHBondContact O-N 3.12Å; N368-S370 VanDerWaalsContact O-N 3.15Å
371	I	23.9	Very low	22.6	Very low	153 Å²	153	146.2 Å²	146.2	79%	0.785	78%	0.777	S	S	*	*			trans	-114.5	109.5	165.6	-61.1	178.9	0	0	0	105.7	V369	V369-I371 HydrophobicContact CG1-CG1 4.4Å; V369-I371 PolarHBondContact O-N 3.01Å
372	D	23.9	Very low	22.7	Very low	138 Å²	138	145.5 Å²	145.5	74%	0.738	78%	0.776	S	S	*	*			trans	-66.8	133.7	-176.5	-81.7	-43.9	0	0	0	111.8	Q374	D372-Q374 PolarHBondContact O-N 2.8Å
373	N	21.6	Very low	22.5	Very low	156 Å²	156	143 Å²	143	83%	0.834	77%	0.772	S	S	*	*			trans	-69.3	113.6	167.1	-73.7	-41.1	0	0	0	109.7
374	Q	24.8	Very low	22.4	Very low	189 Å²	189	144.1 Å²	144.1	88%	0.883	77%	0.772	S	S	*	*			trans	-111.8	105.3	155.2	-72.4	-165.4	6	0	0	109.8	D372	D372-Q374 PolarHBondContact O-N 2.8Å
375	S	20.7	Very low	22.3	Very low	92 Å²	92	142.6 Å²	142.6	64%	0.643	77%	0.765	S	S	*	*			trans	-84.4	155	171.2	-48.4	0	0	0	0	110.9
376	N	21	Very low	22.4	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	77%	0.766	S	S	*	*			trans	77.6	138.1	177	-37.7	-40.6	0	0	0	112.5
377	L	21.7	Very low	22.2	Very low	151 Å²	151	139.8 Å²	139.8	79%	0.791	76%	0.76	S	S	*	*			cis	-149.9	152.8	41.5	-134.8	92.4	0	0	0	113.2
378	L	20.4	Very low	22.2	Very low	144 Å²	144	139.4 Å²	139.4	75%	0.754	76%	0.759	S	S	*	*			trans	39.2	128.4	160.6	-92.6	77.5	0	0	0	122.9
379	V	19.9	Very low	22.6	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	76%	0.764	S	S	*	*			trans	-75.2	140.9	153.5	170.1	0	0	0	0	109.2	N381	V379-N381 HydrophobicContact CG1-CB 4.12Å
380	D	24	Very low	22.6	Very low	160 Å²	160	140 Å²	140	86%	0.856	77%	0.766	S	S	*	*			trans	-119	119.8	147.1	-82.6	-44.2	0	0	0	108.3
381	N	20.9	Very low	22.8	Very low	151 Å²	151	140.6 Å²	140.6	81%	0.807	77%	0.765	S	S	*	*			trans	-110.9	125.2	173.8	-118.6	18.9	0	0	0	106	V379	V379-N381 HydrophobicContact CG1-CB 4.12Å
382	E	22.7	Very low	22.8	Very low	193 Å²	193	140 Å²	140	90%	0.902	76%	0.764	S	S	*	*			trans	-117.7	129.1	160	-105	-169.3	152.4	0	0	110.1
383	S	22.1	Very low	23	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	77%	0.771	S	S	*	*			trans	-92.4	-164	178.9	54.8	0	0	0	0	111.1
384	N	22.8	Very low	23	Very low	129 Å²	129	142.2 Å²	142.2	69%	0.69	77%	0.77	S	S	*	*			trans	95.5	139.6	164.5	-45.9	-28.9	0	0	0	113.4
385	L	24	Very low	23.1	Very low	132 Å²	132	139.7 Å²	139.7	69%	0.691	76%	0.763	S	S	*	*			cis	-152.2	168.1	19.2	-106.2	121.5	0	0	0	114.1
386	F	26.6	Very low	23.3	Very low	184 Å²	184	141.2 Å²	141.2	81%	0.807	76%	0.764	S	S	*	*			trans	83.7	110.4	150.7	-76.6	-56.9	0	0	0	122.8
387	S	20.3	Very low	23.6	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	77%	0.766	S	S	*	*			trans	-70.3	150.5	143.5	-46.9	0	0	0	0	111.7
388	D	22.4	Very low	23.5	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	77%	0.766	S	S	*	*				166.8	123.3	119.3	-91	-11.3	0	0	0	111
389	N	28.8	Very low	23.7	Very low	167 Å²	167	142.2 Å²	142.2	89%	0.893	77%	0.768	S	S	*	*				176.7	150.4	121.6	-91	-54.1	0	0	0	111.3
390	S	21.7	Very low	23.8	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	77%	0.77	S	S	*	*			trans	-116.3	-177.3	-171.5	48.3	0	0	0	0	112.4
391	V	24.7	Very low	23.8	Very low	114 Å²	114	143.1 Å²	143.1	69%	0.691	77%	0.769	S	S	*	*			trans	99	105	158.3	-169.7	0	0	0	0	117.5
392	D	24.1	Very low	23.7	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	76%	0.761	S	S	*	*			trans	50.9	124.3	137.4	-46	-11	0	0	0	122.4
393	N	27.9	Very low	23.9	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	76%	0.759	S	S	*	*				-167.3	147.4	93.9	-128.6	-6.3	0	0	0	113.6
394	E	22.1	Very low	24	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	76%	0.762	S	S	*	*			trans	-86.9	147	168.5	-65.3	177.7	118.6	0	0	111.2
395	D	26.9	Very low	24.1	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	76%	0.759	S	S	*	*				164.5	128.4	116.8	-100.7	-23.4	0	0	0	115.2
396	N	24.4	Very low	24.4	Very low	124 Å²	124	147.4 Å²	147.4	66%	0.663	77%	0.77	S	S	*	*			trans	41.1	119.3	140.1	-54.7	-44.9	0	0	0	122.2
397	N	27.1	Very low	24.3	Very low	159 Å²	159	146 Å²	146	85%	0.85	77%	0.771	S	S	*	*				-170.9	144.4	91.6	-99.1	-54.6	0	0	0	114.3
398	L	20.6	Very low	24.8	Very low	151 Å²	151	150.8 Å²	150.8	79%	0.791	78%	0.783	S	S	*	*			trans	-117.7	135	175.5	-179.1	75.5	0	0	0	108.5
399	I	23.6	Very low	24.9	Very low	155 Å²	155	153.4 Å²	153.4	80%	0.795	79%	0.79	S	S	*	*			trans	-133.4	117.2	170.4	-60.1	-179.9	0	0	0	109	V401	I399-V401 HydrophobicContact CG2-CG2 4.28Å
400	E	21.4	Very low	24.7	Very low	156 Å²	156	151.1 Å²	151.1	73%	0.729	78%	0.777	S	S	*	*			trans	-122.2	136.9	174.3	-175.8	-174	162.5	0	0	108
401	V	24.9	Very low	25	Very low	135 Å²	135	152.2 Å²	152.2	82%	0.818	78%	0.782	S	S	*	*			trans	-136.4	134.4	178.6	180	0	0	0	0	109.4	I399	I399-V401 HydrophobicContact CG2-CG2 4.28Å
402	N	19.8	Very low	25.1	Very low	120 Å²	120	153.6 Å²	153.6	64%	0.642	79%	0.786	S	S	*	*			trans	-149	127.2	-164	179.1	-6.7	0	0	0	110.1
403	H	26.9	Very low	25.2	Very low	185 Å²	185	152.2 Å²	152.2	86%	0.856	79%	0.787	S	S	*	*			trans	-173.1	168.8	168.3	-87.8	-35.7	0	0	0	111.5
404	K	23.5	Very low	25.3	Very low	164 Å²	164	153.3 Å²	153.3	71%	0.713	79%	0.789	S	S	*	*				-162.1	138.1	-86.7	-177	171.7	-177.5	179.6	0	110.8
405	D	25.4	Very low	25.5	Very low	120 Å²	120	151.7 Å²	151.7	64%	0.642	79%	0.791	S	S	*	*			trans	21.7	139.4	159.7	-41.9	-25.9	0	0	0	123.4
406	H	29.2	Very low	25.6	Very low	198 Å²	198	154.2 Å²	154.2	92%	0.917	80%	0.799	S	S	*	*			trans	-160.5	131.7	145.1	-99.8	-65.9	0	0	0	112.7
407	D	25	Very low	25.7	Very low	154 Å²	154	157.7 Å²	157.7	82%	0.824	81%	0.811	S	S	*	*			trans	-102	158	177.4	-56.6	-73.6	0	0	0	113.1
408	E	29.5	Very low	25.8	Very low	200 Å²	200	156.1 Å²	156.1	94%	0.935	81%	0.807	S	S	*	*			trans	-171.5	164.9	138.2	-110.5	176.4	-161.6	0	0	113.9
409	E	25.6	Very low	26.4	Very low	197 Å²	197	154 Å²	154	92%	0.921	81%	0.805	S	S	*	*			trans	-102.6	170	-150.1	-69	-177.3	114.3	0	0	119.8
410	L	24.9	Very low	26.8	Very low	119 Å²	119	154.4 Å²	154.4	62%	0.623	81%	0.808	S	S	*	*			trans	-65.5	169.3	171.1	-96	76.1	0	0	0	116
411	P	28.5	Very low	27.2	Very low	128 Å²	128	155.3 Å²	155.3	83%	0.831	82%	0.817	S	S	*	*			trans	-118.5	137.6	142.3	35.4	-26	0	0	0	114
412	N	25.9	Very low	27.4	Very low	143 Å²	143	155.9 Å²	155.9	77%	0.765	82%	0.815	S	S	*	*			trans	-90	140.5	-178.3	-62.9	-40.7	0	0	0	113.4
413	S	26.6	Very low	28.1	Very low	112 Å²	112	157.1 Å²	157.1	78%	0.783	82%	0.82	S	S	*	*			trans	179.7	87.7	151.8	168.2	0	0	0	0	113.1
414	M	29.6	Very low	28.3	Very low	189 Å²	189	155.2 Å²	155.2	93%	0.931	82%	0.816	S	S	*	*			trans	-179.4	81.8	147.5	-103.1	176.8	-162	0	0	109.8
415	T	26.6	Very low	28.7	Very low	140 Å²	140	156.8 Å²	156.8	86%	0.859	83%	0.826	S	S	*	*			trans	-131.3	50.6	-172.6	-42.4	0	0	0	0	111.5
416	E	28.7	Very low	29.3	Very low	189 Å²	189	155.9 Å²	155.9	88%	0.883	83%	0.829	S	S	*	*			trans	-148.7	25.7	-176.5	-139.9	172.4	-154.1	0	0	115.7
417	Q	27.5	Very low	29.6	Very low	197 Å²	197	153 Å²	153	92%	0.921	82%	0.82	S	S	*	*	S	Bend	trans	-127.1	40.9	170.6	-65.4	-164.3	23.3	0	0	113.7
418	V	28.4	Very low	29.8	Very low	126 Å²	126	153.6 Å²	153.6	76%	0.764	82%	0.824	S	S	*	*			trans	-131.1	91.7	166.3	-175.5	0	0	0	0	109
419	S	32.7	Very low	29.8	Very low	107 Å²	107	153.4 Å²	153.4	75%	0.748	82%	0.823	S	S	*	*	S	Bend	trans	-162.3	-14	172.6	-84.1	0	0	0	0	116.8
420	N	31.8	Very low	30	Very low	163 Å²	163	153 Å²	153	87%	0.872	82%	0.818	S	S	*	*	S	Bend	trans	-114.6	16.4	-172.4	-77.7	-1.8	0	0	0	115.9
421	L	30.2	Very low	30.3	Very low	176 Å²	176	154.9 Å²	154.9	92%	0.921	83%	0.829	S	S	*	*	S	Bend	trans	-129.7	28	178.1	-147	77.7	0	0	0	113.4
422	L	28.8	Very low	30.4	Very low	146 Å²	146	155.9 Å²	155.9	76%	0.764	83%	0.832	S	S	*	*			trans	-119.1	21.8	-173.6	-110.9	163	0	0	0	113.6
423	I	34.1	Very low	30.6	Very low	147 Å²	147	156.7 Å²	156.7	75%	0.754	84%	0.836	S	S	*	*	S	Bend	trans	-133.8	94.7	173.6	-52.8	174.3	0	0	0	107.2
424	D	31	Very low	31.1	Very low	144 Å²	144	158.3 Å²	158.3	77%	0.77	84%	0.836	S	S	*	*	S	Bend	trans	-179.5	-19	140.9	-93.4	-17	0	0	0	113.4	S426	D424-S426 PolarHBondContact O-N 2.76Å
425	E	33	Very low	31.4	Very low	198 Å²	198	156.4 Å²	156.4	93%	0.925	83%	0.83	S	S	*	*	S	Bend	trans	-85.2	1.7	-176.5	-127.5	-179.5	161.6	0	0	115.7	N427	E425-N427 PolarHBondContact O-N 3.23Å
426	S	37.7	Very low	31.9	Very low	101 Å²	101	157.5 Å²	157.5	71%	0.706	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	17.9	-173.5	53.4	0	0	0	0	115.6	D424	D424-S426 PolarHBondContact O-N 2.76Å
427	N	35.1	Very low	32.5	Very low	136 Å²	136	156.1 Å²	156.1	73%	0.727	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-10.8	-174.5	-93	-39.3	0	0	0	117.1	E425 Q429	E425-N427 PolarHBondContact O-N 3.23Å; N427-Q429 PolarHBondContact O-N 2.98Å
428	D	30	Very low	33	Very low	167 Å²	167	154.9 Å²	154.9	89%	0.893	82%	0.815	S	S	*	*	S	Bend	trans	-86	0.5	-177.9	-85	-28.8	0	0	0	115.1	K430	D428-K430 PolarHBondContact O-N 3.31Å
429	Q	29.2	Very low	33.3	Very low	196 Å²	196	157.2 Å²	157.2	92%	0.916	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	34.5	-174.7	-146.5	171.3	33.2	0	0	114.8	N427	N427-Q429 PolarHBondContact O-N 2.98Å
430	K	31	Very low	33.5	Very low	190 Å²	190	162 Å²	162	83%	0.826	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	14.8	-174.7	-142.6	179.9	-179.6	176.3	0	118.1	D428	D428-K430 PolarHBondContact O-N 3.31Å
431	N	29.9	Very low	33.8	Very low	157 Å²	157	162.5 Å²	162.5	84%	0.84	81%	0.814	S	S	*	*	S	Bend	trans	-140.3	51.7	-173.4	-114.4	4.3	0	0	0	116.2
432	T	31	Very low	33.9	Very low	149 Å²	149	162.3 Å²	162.3	91%	0.914	81%	0.808	S	S	*	*	S	Bend	trans	-152.5	49.7	166.7	27	0	0	0	0	112.1
433	L	29.6	Very low	34.3	Very low	161 Å²	161	161 Å²	161	84%	0.843	81%	0.806	S	S	*	*			trans	-141.4	70.2	-177.7	-141.3	167.5	0	0	0	109.8
434	N	36.5	Very low	34.4	Very low	146 Å²	146	161.7 Å²	161.7	78%	0.781	81%	0.806	S	S	*	*			trans	-162.9	15.5	-179.2	-109.1	-16.2	0	0	0	118.2
435	D	36.6	Very low	34.6	Very low	149 Å²	149	162.3 Å²	162.3	80%	0.797	81%	0.81	S	S	*	*	S	Bend	trans	-103.1	-15.9	179.5	-79.9	-48.1	0	0	0	115.5	E437	D435-E437 VanDerWaalsContact C-N 3.31Å; D435-E437 PolarHBondContact O-N 2.73Å
436	D	37	Very low	34.6	Very low	162 Å²	162	160.5 Å²	160.5	87%	0.866	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-7.9	-178.8	-74.6	-41.6	0	0	0	114.9
437	E	41.7	Very low	34.4	Very low	160 Å²	160	162 Å²	162	75%	0.748	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	0.2	-176.1	-141.2	-178.8	-170.1	0	0	114.2	D435	D435-E437 VanDerWaalsContact C-N 3.31Å; D435-E437 PolarHBondContact O-N 2.73Å
438	K	38.2	Very low	34	Very low	172 Å²	172	162.5 Å²	162.5	75%	0.748	81%	0.813	S	S	*	*	S	Bend	trans	-101.2	-28.6	-174.9	-153.6	172.9	-176.4	-179.8	0	115.2
439	E	34.7	Very low	33.8	Very low	175 Å²	175	160.1 Å²	160.1	82%	0.818	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-79.5	-23	174.6	-70.4	-162.6	142.5	0	0	112.9	K441	E439-K441 PolarHBondContact O-N 3.07Å; E439-K441 VanDerWaalsContact O-N 3.07Å
440	R	35.8	Very low	33.7	Very low	207 Å²	207	157.4 Å²	157.4	78%	0.781	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-71.8	-0	-178.9	-128.1	178.5	-174	-158.9	-0.9	115.5
441	K	37.9	Very low	33.4	Very low	174 Å²	174	154.3 Å²	154.3	76%	0.757	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-112.8	11.9	-179	-87.9	-176	176.1	170.9	0	115.9	E439	E439-K441 PolarHBondContact O-N 3.07Å; E439-K441 VanDerWaalsContact O-N 3.07Å
442	Q	34.2	Very low	33	Very low	172 Å²	172	155.6 Å²	155.6	80%	0.804	80%	0.801	S	S	*	*	S	Bend	trans	-120.4	3.9	173.3	-70.4	-172.5	45.5	0	0	114.7
443	V	35.4	Very low	32.8	Very low	119 Å²	119	155.1 Å²	155.1	72%	0.721	79%	0.792	S	S	*	*	S	Bend	trans	-105.8	-18.8	177.8	-172.5	0	0	0	0	112.7
444	E	38	Very low	32.6	Very low	161 Å²	161	154.6 Å²	154.6	75%	0.752	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.2	-178.1	-73.6	-173.5	147.9	0	0	115.2
445	D	34.1	Very low	32.2	Very low	157 Å²	157	154.2 Å²	154.2	84%	0.84	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	5.9	-175.2	-102.5	-15.1	0	0	0	115.2
446	L	33.2	Very low	31.6	Very low	159 Å²	159	154.6 Å²	154.6	83%	0.832	78%	0.78	S	S	*	*	S	Bend	trans	-114.5	-6	-177.8	-158.8	61.5	0	0	0	115.7
447	V	34.2	Very low	31.2	Very low	133 Å²	133	152 Å²	152	81%	0.806	77%	0.766	S	S	*	*	S	Bend	trans	-125.1	62.4	178.6	-165.8	0	0	0	0	110.9
448	N	26.8	Very low	30.5	Very low	147 Å²	147	150.4 Å²	150.4	79%	0.786	76%	0.763	S	S	*	*			trans	-140.9	62.4	175.8	-140.1	-1.4	0	0	0	112.2
449	S	25.4	Very low	29.7	Very low	117 Å²	117	148.9 Å²	148.9	82%	0.818	76%	0.761	S	S	*	*			trans	-163	63	169.1	-84.6	0	0	0	0	114.2
450	T	27.5	Very low	29.1	Very low	139 Å²	139	147 Å²	147	85%	0.853	76%	0.757	S	S	*	*			trans	-156.6	81.6	155.6	12.6	0	0	0	0	112.6
451	V	24.7	Very low	28.4	Very low	125 Å²	125	143 Å²	143	76%	0.758	76%	0.756	S	S	*	*				52.5	95	122.6	-175.7	0	0	0	0	120.1
452	F	21.2	Very low	27.8	Very low	183 Å²	183	139.7 Å²	139.7	80%	0.803	75%	0.754	S	S	*	*				66.2	154.2	125.7	-81.2	-80.8	0	0	0	125.7
453	I	26.8	Very low	27.2	Very low	139 Å²	139	135.9 Å²	135.9	71%	0.713	75%	0.746	S	S	*	*			trans	84.1	99.8	168.1	-43.5	-171.8	0	0	0	113.1
454	E	24.5	Very low	26.9	Very low	150 Å²	150	140 Å²	140	70%	0.701	76%	0.755	S	S	*	*				65.5	131.2	74.5	-62.6	169.6	175	0	0	111.1
455	D	27.5	Very low	26.1	Very low	139 Å²	139	136.6 Å²	136.6	74%	0.743	75%	0.749	S	S	*	*			cis	-156.9	160.5	22.3	-109.9	-27.8	0	0	0	114.3
456	E	25.6	Very low	25.6	Very low	156 Å²	156	135.4 Å²	135.4	73%	0.729	75%	0.747	S	S	*	*			trans	47	126.9	142.8	-66.8	-143	127.6	0	0	126.6
457	N	28.1	Very low	25	Very low	109 Å²	109	132.5 Å²	132.5	58%	0.583	74%	0.736	S	S	*	*				85.1	113.8	124.6	-72.1	-28.2	0	0	0	125.2
458	N	26.1	Very low	24.6	Very low	125 Å²	125	136.4 Å²	136.4	67%	0.668	74%	0.738	S	S	*	*				55	111	126	-72.7	-32.7	0	0	0	123
459	I	22.3	Very low	24.4	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	73%	0.733	S	S	*	*				48	118.6	102.6	-60.7	175.8	0	0	0	119
460	D	21.1	Very low	24.2	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	73%	0.733	S	S	*	*			trans	72.7	140.7	147.3	-72.7	-21.7	0	0	0	125.2
461	T	22.7	Very low	24	Very low	122 Å²	122	139.3 Å²	139.3	75%	0.748	73%	0.732	S	S	*	*			trans	76.8	98.5	146.2	49.2	0	0	0	0	122.7
462	S	23.8	Very low	24.4	Very low	104 Å²	104	138 Å²	138	73%	0.727	73%	0.726	S	S	*	*				88.8	151.6	115.1	85	0	0	0	0	122.3
463	S	23.3	Very low	24.5	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	72%	0.723	S	S	*	*			trans	81.7	97.1	143	-51.3	0	0	0	0	121.2
464	F	27.9	Very low	24.3	Very low	207 Å²	207	133.3 Å²	133.3	91%	0.908	72%	0.724	S	S	*	*			trans	-166.2	111.7	138.5	-99.4	-83.3	0	0	0	105.2
465	S	21.1	Very low	24.3	Very low	89 Å²	89	131.1 Å²	131.1	62%	0.622	73%	0.725	S	S	*	*			cis	60	102	35.1	-48	0	0	0	0	111.4
466	T	24.5	Very low	24.1	Very low	131 Å²	131	129.2 Å²	129.2	80%	0.804	72%	0.723	S	S	*	*				169.9	172.9	77	42.1	0	0	0	0	108.6
467	T	21	Very low	23.9	Very low	98 Å²	98	126.8 Å²	126.8	60%	0.601	72%	0.723	S	S	*	*			cis	-172.8	165.8	-34.7	-68.8	0	0	0	0	106.2
468	Y	24.6	Very low	24	Very low	215 Å²	215	127.8 Å²	127.8	84%	0.843	74%	0.735	S	S	*	*			trans	81.4	153.7	169.6	-57	-80.4	0	0	0	118
469	T	23.2	Very low	23.7	Very low	111 Å²	111	127.7 Å²	127.7	68%	0.681	74%	0.739	S	S	*	*			cis	-167.1	158.6	-35.3	-94.9	0	0	0	0	108.6
470	E	20.2	Very low	24	Very low	172 Å²	172	130 Å²	130	80%	0.804	75%	0.747	S	S	*	*			trans	-36.2	171.2	176.1	-53.7	166.5	109	0	0	121.1
471	Q	23.4	Very low	24	Very low	181 Å²	181	129.1 Å²	129.1	85%	0.846	75%	0.747	S	S	*	*			trans	103.3	148.6	148.2	-79.1	-149	-81.7	0	0	119.5
472	P	34.7	Very low	24.2	Very low	97 Å²	97	130.3 Å²	130.3	63%	0.63	75%	0.747	S	S	*	*			trans	-132.4	-140	-135.8	40.7	-19.6	0	0	0	112.6
473	T	22.8	Very low	24.1	Very low	119 Å²	119	133.6 Å²	133.6	73%	0.73	75%	0.751	S	S	*	*			trans	95.5	95.7	166.5	61.9	0	0	0	0	119.7
474	S	22.6	Very low	24.1	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	76%	0.763	S	S	*	*				92.4	145.1	109.2	76.3	0	0	0	0	122.3
475	S	23.1	Very low	23.8	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	76%	0.756	S	S	*	*			trans	99.7	110.2	144.3	76.9	0	0	0	0	120.7
476	S	24.4	Very low	23.9	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	76%	0.76	S	S	*	*			trans	66	107.8	132.3	58.8	0	0	0	0	121.9
477	S	21.8	Very low	24.1	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	76%	0.761	S	S	*	*				21.9	137.8	114.2	63.7	0	0	0	0	118.9
478	P	29.3	Very low	24.3	Very low	129 Å²	129	140.3 Å²	140.3	84%	0.838	77%	0.773	S	S	*	*				-140.1	163.1	92.7	38.7	-27	0	0	0	116.3
479	T	20.7	Very low	24.8	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	77%	0.765	S	S	*	*			trans	-79.9	141.6	173.4	-42.6	0	0	0	0	111.8
480	E	27.3	Very low	24.9	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.883	77%	0.772	S	S	*	*			trans	-156.1	148	145	-127.4	170.5	-152.1	0	0	112.7
481	T	21	Very low	25	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	77%	0.766	S	S	*	*			trans	-130.6	123.8	-167.6	-55	0	0	0	0	109.5
482	I	28.3	Very low	25.2	Very low	146 Å²	146	134.3 Å²	134.3	75%	0.749	77%	0.77	S	S	*	*			trans	-139.2	129.4	169.2	-61.3	-176.2	0	0	0	110.4	F484	I482-F484 HydrophobicContact CG2-CD2 4.41Å; I482-F484 HydrophobicContact CG2-CE2 4.34Å
483	E	20.1	Very low	24.8	Very low	174 Å²	174	135.6 Å²	135.6	81%	0.813	77%	0.771	S	S	*	*			trans	-78.7	150.7	174.4	-57.2	170.7	116.9	0	0	111.9
484	F	24	Very low	25	Very low	201 Å²	201	137 Å²	137	88%	0.882	78%	0.775	S	S	*	*			trans	-139.7	133.9	153.5	-98.6	-82	0	0	0	111.4	I482	I482-F484 HydrophobicContact CG2-CD2 4.41Å; I482-F484 HydrophobicContact CG2-CE2 4.34Å
485	T	21.7	Very low	25.4	Very low	124 Å²	124	140.7 Å²	140.7	76%	0.761	79%	0.785	S	S	*	*			trans	-112	179.2	-179.3	12.9	0	0	0	0	111.5
486	T	23.8	Very low	25.4	Very low	118 Å²	118	143.1 Å²	143.1	72%	0.724	79%	0.789	S	S	*	*			trans	74.5	111.6	167.7	22.3	0	0	0	0	118.7
487	N	28.9	Very low	25.9	Very low	154 Å²	154	143.6 Å²	143.6	82%	0.824	79%	0.79	S	S	*	*				-177.6	150.4	91.6	-87.6	-47.5	0	0	0	114.7
488	L	24	Very low	26.1	Very low	160 Å²	160	143.8 Å²	143.8	84%	0.838	79%	0.786	S	S	*	*			trans	-74.3	-179.3	165.1	-113.8	79.6	0	0	0	110.7
489	P	34.5	Very low	26.2	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	79%	0.785	S	S	*	*			cis	-152.9	-167.7	31.2	30.2	-1.3	0	0	0	118.6
490	I	26.7	Very low	26.3	Very low	159 Å²	159	144.3 Å²	144.3	82%	0.815	79%	0.785	S	S	*	*			trans	101	122.3	150	-44.7	-171	0	0	0	119.8
491	T	20.9	Very low	26.4	Very low	112 Å²	112	140.5 Å²	140.5	69%	0.687	78%	0.779	S	S	*	*			trans	-81.2	156.3	175.9	44.8	0	0	0	0	115.8
492	L	28.8	Very low	26.5	Very low	177 Å²	177	141 Å²	141	93%	0.927	78%	0.776	S	S	*	*			trans	-133.6	133	147.3	-163.6	70.6	0	0	0	110
493	N	25.6	Very low	26.4	Very low	124 Å²	124	141.4 Å²	141.4	66%	0.663	78%	0.779	S	S	*	*			trans	-107.3	152.1	-169.9	-83.8	-10.2	0	0	0	113.5
494	N	27.5	Very low	26.5	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	77%	0.774	S	S	*	*			trans	63	107.1	147.5	-62.5	-8.7	0	0	0	120.4
495	L	31.5	Very low	26.5	Very low	182 Å²	182	138.3 Å²	138.3	95%	0.953	77%	0.767	S	S	*	*			trans	-141.5	116.9	138	-104.1	152.8	0	0	0	109.5
496	L	23.2	Very low	26.7	Very low	155 Å²	155	137.2 Å²	137.2	81%	0.812	76%	0.76	S	S	*	*			trans	-119.7	162.3	173.9	-146.4	64.9	0	0	0	105
497	P	33.4	Very low	26.8	Very low	109 Å²	109	138.1 Å²	138.1	71%	0.708	76%	0.761	S	S	*	*			cis	-143.8	172.9	16.4	42.7	-22.5	0	0	0	119.2
498	T	26.6	Very low	26.7	Very low	109 Å²	109	138.3 Å²	138.3	67%	0.669	76%	0.757	S	S	*	*			trans	-44	158.4	156.3	50	0	0	0	0	115.3
499	P	31.6	Very low	26.9	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	75%	0.749	S	S	*	*				-154.2	152.8	75.7	39.7	-18.2	0	0	0	121.7
500	N	23.4	Very low	26.4	Very low	138 Å²	138	138.1 Å²	138.1	74%	0.738	75%	0.749	S	S	*	*			trans	-30.6	148.4	161.6	-47	-18.4	0	0	0	121.3
501	S	29.8	Very low	26.5	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	74%	0.74	S	S	*	*				-172.6	123	121.1	-160	0	0	0	0	107.1
502	I	22.1	Very low	26.8	Very low	130 Å²	130	137.9 Å²	137.9	67%	0.667	74%	0.741	S	S	*	*				71	109.2	53.1	-54.7	174.2	0	0	0	113.8
503	D	26	Very low	26.6	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	73%	0.729	S	S	*	*			trans	-159.4	111	144	-100.5	-29.7	0	0	0	107.1
504	F	22.7	Very low	26.6	Very low	163 Å²	163	135.2 Å²	135.2	72%	0.715	73%	0.732	S	S	*	*				93.2	94.8	88.1	-111	-102.8	0	0	0	113.5
505	M	24.4	Very low	26.6	Very low	148 Å²	148	133.7 Å²	133.7	73%	0.729	73%	0.728	S	S	*	*				83.1	146.7	100.5	-69.9	-72.5	-178.8	0	0	113.4
506	T	26.2	Very low	26.2	Very low	101 Å²	101	131 Å²	131	62%	0.62	72%	0.719	S	S	*	*			cis	-155.9	167.5	12.6	-17.5	0	0	0	0	112.2
507	D	25.7	Very low	26.3	Very low	136 Å²	136	128.3 Å²	128.3	73%	0.727	71%	0.713	S	S	*	*			trans	77.9	140.5	151.7	-60.1	-36.5	0	0	0	119.3
508	E	26.8	Very low	25.9	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.743	72%	0.718	S	S	*	*			cis	-147	142.8	8.6	-133.2	-166	109.6	0	0	111.7
509	L	26.6	Very low	25.8	Very low	130 Å²	130	130.5 Å²	130.5	68%	0.681	72%	0.723	S	S	*	*			trans	40	150.2	133.3	-91.3	69.9	0	0	0	123.1
510	L	24.6	Very low	25.8	Very low	131 Å²	131	130.4 Å²	130.4	69%	0.686	72%	0.722	S	S	*	*			cis	-164.1	169.5	-7.6	-164	84.4	0	0	0	108.5
511	D	29.6	Very low	25.7	Very low	118 Å²	118	129 Å²	129	63%	0.631	72%	0.723	S	S	*	*			trans	74.5	138.9	159.3	-78.4	-7.4	0	0	0	120.2
512	Q	27	Very low	25.5	Very low	149 Å²	149	129.6 Å²	129.6	70%	0.696	73%	0.727	S	S	*	*			cis	-159.4	149.6	-18.4	-138.6	171.9	70.8	0	0	110.3
513	T	23.8	Very low	25.5	Very low	110 Å²	110	129.1 Å²	129.1	68%	0.675	73%	0.73	S	S	*	*			trans	8.7	136.1	156.1	55.8	0	0	0	0	119.4
514	N	26.5	Very low	25.4	Very low	135 Å²	135	127 Å²	127	72%	0.722	73%	0.727	S	S	*	*				-175.8	145.4	61.8	-136.2	-3.3	0	0	0	113.8
515	T	26.7	Very low	25.4	Very low	117 Å²	117	125 Å²	125	72%	0.718	73%	0.729	S	S	*	*			trans	53	153.2	151.9	55.8	0	0	0	0	121.9
516	T	24.2	Very low	25.5	Very low	125 Å²	125	126 Å²	126	77%	0.767	74%	0.736	S	S	*	*			cis	-174.6	157.5	-22.9	-79.4	0	0	0	0	106.3
517	S	25.2	Very low	25.4	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	74%	0.738	S	S	*	*			trans	81.6	94.3	173.1	-161.9	0	0	0	0	115.2
518	L	24	Very low	25.3	Very low	154 Å²	154	126.4 Å²	126.4	81%	0.806	74%	0.743	S	S	*	*				57.7	97.8	87.6	-79.4	104	0	0	0	115
519	S	25.1	Very low	25.2	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	74%	0.744	S	S	*	*				164.7	152.6	112.3	-71.7	0	0	0	0	110.4
520	P	31.7	Very low	25.1	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	75%	0.749	S	S	*	*			trans	-87	151.7	-151.1	32.7	-36.2	0	0	0	115.3
521	S	22	Very low	25.1	Very low	108 Å²	108	122.5 Å²	122.5	76%	0.755	75%	0.75	S	S	*	*			trans	-56.7	139.1	163.7	-174	0	0	0	0	111.8
522	S	25.7	Very low	24.8	Very low	122 Å²	122	122.7 Å²	122.7	85%	0.853	76%	0.756	S	S	*	*			trans	-143.5	133	148.4	45.6	0	0	0	0	109.8
523	T	22.2	Very low	24.9	Very low	120 Å²	120	121.6 Å²	121.6	74%	0.736	76%	0.76	S	S	*	*			trans	-88.1	153.5	-166.9	-51.1	0	0	0	0	111.7
524	S	22.2	Very low	25.2	Very low	108 Å²	108	122.9 Å²	122.9	76%	0.755	76%	0.762	S	S	*	*			trans	60.7	119	163.1	-71.2	0	0	0	0	119.2
525	T	22.3	Very low	25.2	Very low	123 Å²	123	123.8 Å²	123.8	76%	0.755	77%	0.767	S	S	*	*				-161.1	118.9	108.8	-68	0	0	0	0	108.7
526	I	27.1	Very low	25.4	Very low	169 Å²	169	124.4 Å²	124.4	87%	0.867	77%	0.766	S	S	*	*			trans	-126.7	126.9	154.2	-65.7	-177.4	0	0	0	106.5
527	T	25	Very low	25.8	Very low	109 Å²	109	126.6 Å²	126.6	67%	0.669	77%	0.767	S	S	*	*			trans	-82.7	129.8	-170.8	-51	0	0	0	0	111.2
528	T	23.4	Very low	26.1	Very low	136 Å²	136	127.6 Å²	127.6	83%	0.834	77%	0.774	S	S	*	*			trans	-85.6	122.2	166	-50.1	0	0	0	0	109.2
529	T	24.5	Very low	26.6	Very low	122 Å²	122	129.6 Å²	129.6	75%	0.748	78%	0.779	S	S	*	*			trans	-130.1	133.4	166.4	-37	0	0	0	0	110.2
530	T	24.7	Very low	26.8	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	78%	0.779	S	S	*	*			trans	-81.9	144.2	-174.1	25.4	0	0	0	0	113.9
531	A	23.5	Very low	26.6	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	78%	0.781	S	S	*	*			trans	-155.1	98	150.5	0	0	0	0	0	106.6
532	T	25	Very low	27	Very low	122 Å²	122	139.5 Å²	139.5	75%	0.748	79%	0.786	S	S	*	*				60.5	90.1	86.5	64.1	0	0	0	0	114.4
533	T	28.4	Very low	27.3	Very low	126 Å²	126	142.5 Å²	142.5	77%	0.773	79%	0.786	S	S	*	*			trans	-160.2	102.3	138.5	34.2	0	0	0	0	104.1
534	D	29.7	Very low	27.6	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	78%	0.782	S	S	*	*				81.7	96	84.9	-70.8	-7.3	0	0	0	110.3
535	D	26.4	Very low	28.2	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	78%	0.783	S	S	*	*			trans	33.9	99.4	138.3	-55.1	-17.9	0	0	0	118.1
536	D	31.1	Very low	28.5	Very low	131 Å²	131	145.1 Å²	145.1	70%	0.701	78%	0.781	S	S	*	*				-163.7	137.7	106.7	-114.3	-22.8	0	0	0	114.7
537	H	32.4	Very low	28.8	Very low	171 Å²	171	143 Å²	143	79%	0.792	78%	0.778	S	S	*	*			trans	50.9	88.2	156.1	-55.6	-32.7	0	0	0	121
538	S	31.6	Very low	28.9	Very low	118 Å²	118	143 Å²	143	83%	0.825	78%	0.783	S	S	*	*			trans	-138.9	76.2	157.2	53.1	0	0	0	0	113.2
539	E	34.2	Very low	29.1	Very low	196 Å²	196	143.4 Å²	143.4	92%	0.916	78%	0.779	S	S	*	*			trans	-121.7	81.2	169	-71.8	-162.6	164.1	0	0	111.9
540	I	30.1	Very low	29.2	Very low	149 Å²	149	144.2 Å²	144.2	76%	0.764	78%	0.779	S	S	*	*			trans	-128.6	115.8	165.6	-73.2	-177.7	0	0	0	108.2
541	Y	27.6	Very low	29.3	Very low	214 Å²	214	144.3 Å²	144.3	84%	0.839	77%	0.773	S	S	*	*	S	Bend	trans	57.6	99.5	175.2	-61.8	-64.6	0	0	0	119.2
542	Q	29.6	Very low	29.5	Very low	187 Å²	187	150 Å²	150	87%	0.874	78%	0.776	S	S	*	*				-162.5	88.9	118.7	-108.7	-177.8	44	0	0	111.4	S544	Q542-S544 PolarHBondContact O-N 3.11Å
543	H	32	Very low	29.5	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.856	77%	0.774	S	S	*	*			trans	-75.8	78.4	163.7	-78.1	-58	0	0	0	110.1	I545	H543-I545 HydrophobicContact CB-CG1 4.41Å; H543-I545 PolarHBondContact O-N 3.35Å
544	S	28.8	Very low	29.5	Very low	93 Å²	93	148.8 Å²	148.8	65%	0.65	77%	0.77	S	S	*	*			trans	-65.3	91.3	156	-174	0	0	0	0	107.6	Q542 K546	Q542-S544 PolarHBondContact O-N 3.11Å; S544-K546 PolarHBondContact O-N 3.44Å
545	I	34	Very low	29.2	Very low	150 Å²	150	146.8 Å²	146.8	77%	0.769	77%	0.767	S	S	*	*			trans	-71.1	81.4	170.9	-55.3	178.2	0	0	0	106.9	H543	H543-I545 HydrophobicContact CB-CG1 4.41Å; H543-I545 PolarHBondContact O-N 3.35Å
546	K	30	Very low	29.2	Very low	163 Å²	163	145.9 Å²	145.9	71%	0.709	76%	0.762	S	S	*	*			trans	-51	135	159.1	-78.7	178.3	175.2	172.8	0	107.1	S544 S548	S544-K546 PolarHBondContact O-N 3.44Å; K546-S548 PolarHBondContact O-N 3.36Å
547	P	32.4	Very low	29	Very low	125 Å²	125	144 Å²	144	81%	0.812	76%	0.755	S	S	*	*			trans	-75.4	67.5	-179.7	32	-35.8	0	0	0	110.3	L549	P547-L549 PolarHBondContact O-N 2.98Å; P547-L549 VanDerWaalsContact O-N 3.13Å
548	S	26.7	Very low	28.9	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	76%	0.756	S	S	*	*			trans	-81.2	42.5	160.1	67.7	0	0	0	0	110.1	K546 N550	K546-S548 PolarHBondContact O-N 3.36Å; S548-N550 PolarHBondContact O-N 3.33Å
549	L	29	Very low	28.8	Very low	144 Å²	144	144.7 Å²	144.7	75%	0.754	75%	0.754	S	S	*	*			trans	-68.2	84.4	153.8	-111.2	163.7	0	0	0	105.3	P547 I551	P547-L549 PolarHBondContact O-N 2.98Å; P547-L549 VanDerWaalsContact O-N 3.13Å; L549-I551 HydrophobicContact CB-CG1 4.38Å; L549-I551 HydrophobicContact CD2-CG1 4.14Å; L549-I551 PolarHBondContact O-N 3.24Å
550	N	25.9	Very low	28.6	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	74%	0.744	S	S	*	*			trans	-63.9	73.5	160.7	-176.1	3.6	0	0	0	106.5	S548 R552	S548-N550 PolarHBondContact O-N 3.33Å; N550-R552 PolarHBondContact O-N 2.79Å; N550-R552 PolarHBondContact OD1-N 3.38Å
551	I	27.8	Very low	28.6	Very low	131 Å²	131	140.7 Å²	140.7	67%	0.672	74%	0.741	S	S	*	*			trans	-65.2	76.1	153	-53	175.4	0	0	0	103.5	L549 A553	L549-I551 HydrophobicContact CB-CG1 4.38Å; L549-I551 HydrophobicContact CD2-CG1 4.14Å; L549-I551 PolarHBondContact O-N 3.24Å; I551-A553 PolarHBondContact O-N 3.4Å
552	R	26.7	Very low	28.6	Very low	208 Å²	208	136 Å²	136	79%	0.785	73%	0.729	S	S	*	*			trans	-46.6	106.2	156.1	178.3	-171.6	-137.6	-176.8	6.3	102.5	N550 I554	N550-R552 PolarHBondContact O-N 2.79Å; N550-R552 PolarHBondContact OD1-N 3.38Å; R552-I554 PolarHBondContact O-N 2.92Å
553	A	26.3	Very low	28.6	Very low	86 Å²	86	128.8 Å²	128.8	71%	0.711	70%	0.701	S	S	*	*			trans	-48.7	110	-172.6	0	0	0	0	0	105.7	I551 S555	I551-A553 PolarHBondContact O-N 3.4Å; A553-S555 PolarHBondContact O-N 2.78Å
554	I	27.8	Very low	28.3	Very low	135 Å²	135	123 Å²	123	69%	0.692	68%	0.676	S	S	*	*			trans	-71.2	93.3	173.2	-51.2	-178.1	0	0	0	100.7	R552 L556	R552-I554 PolarHBondContact O-N 2.92Å; I554-L556 HydrophobicContact CG2-CD2 4.34Å; I554-L556 HydrophobicContact CG2-CG 3.86Å; I554-L556 PolarHBondContact O-N 2.82Å
555	S	23.2	Very low	28.1	Very low	95 Å²	95	121.4 Å²	121.4	66%	0.664	66%	0.664	S	S	*	*			trans	-59.3	78.1	154.2	178.1	0	0	0	0	104.4	A553 T557	A553-S555 PolarHBondContact O-N 2.78Å; S555-T557 PolarHBondContact O-N 2.88Å
556	L	25.8	Very low	28	Very low	134 Å²	134	117.7 Å²	117.7	70%	0.702	64%	0.642	S	S	*	*			trans	-58.1	82.3	147.7	-75.6	163.1	0	0	0	103.2	I554 V558	I554-L556 HydrophobicContact CG2-CD2 4.34Å; I554-L556 HydrophobicContact CG2-CG 3.86Å; I554-L556 PolarHBondContact O-N 2.82Å; L556-V558 PolarHBondContact O-N 3.48Å; L556-V558 VanDerWaalsContact O-N 3.12Å
557	T	27	Very low	28	Very low	92 Å²	92	113.4 Å²	113.4	56%	0.564	64%	0.644	S	S	*	*			trans	-40.2	121.3	150.7	41	0	0	0	0	104.8	S555 E559	S555-T557 PolarHBondContact O-N 2.88Å; T557-E559 PolarHBondContact O-N 2.83Å
558	V	30.4	Very low	27.8	Very low	134 Å²	134	112.8 Å²	112.8	81%	0.812	63%	0.633	S	S	*	*			trans	-73.8	58.7	177.1	-170.4	0	0	0	0	107.7	L556 E560	L556-V558 PolarHBondContact O-N 3.48Å; L556-V558 VanDerWaalsContact O-N 3.12Å; V558-E560 PolarHBondContact O-N 3.37Å
559	E	28.8	Very low	28.2	Very low	169 Å²	169	111.8 Å²	111.8	79%	0.79	62%	0.619	S	S	*	*			trans	-68.9	73.7	149.2	-72.2	-166.8	155.5	0	0	106	T557 T561	T557-E559 PolarHBondContact O-N 2.83Å; E559-T561 VanDerWaalsContact C-N 3.35Å; E559-T561 PolarHBondContact O-N 3.3Å
560	E	30.4	Very low	28.3	Very low	149 Å²	149	113.9 Å²	113.9	70%	0.696	62%	0.622	S	S	*	*			trans	21	71.8	157.6	-62.3	178.7	139.1	0	0	113.3	V558 L562	V558-E560 PolarHBondContact O-N 3.37Å; E560-L562 HydrophobicContact CB-CD1 4.15Å; E560-L562 PolarHBondContact O-N 3.12Å
561	T	31.2	Very low	28.9	Very low	113 Å²	113	112.2 Å²	112.2	69%	0.693	61%	0.609	S	S	*	*			trans	-58.5	94.5	143.2	45.3	0	0	0	0	103.8	E559 A563	E559-T561 VanDerWaalsContact C-N 3.35Å; E559-T561 PolarHBondContact O-N 3.3Å; T561-A563 PolarHBondContact O-N 3.31Å
562	L	27.5	Very low	29.6	Very low	115 Å²	115	112.8 Å²	112.8	60%	0.602	61%	0.613	S	S	*	*			trans	-67.1	80.3	-170.1	-152.9	88.2	0	0	0	107.1	E560 I564	E560-L562 HydrophobicContact CB-CD1 4.15Å; E560-L562 PolarHBondContact O-N 3.12Å; L562-I564 VanDerWaalsContact C-N 3.34Å; L562-I564 PolarHBondContact O-N 3.33Å
563	A	29.1	Very low	30.6	Very low	35 Å²	35	105.6 Å²	105.6	29%	0.289	60%	0.603	S	S	.	*			trans	-48.5	108	161.7	0	0	0	0	0	104.1	E312 T561 P565	E312-A563 HydrophobicContact CG-CB 4.22Å; E312-A563 WeakPolarHBondContact OE1-CB 3.5Å; T561-A563 PolarHBondContact O-N 3.31Å; A563-P565 WeakPolarHBondContact O-CD 3.22Å
564	I	26.3	Very low	31.8	Very low	64 Å²	64	111.2 Å²	111.2	33%	0.328	61%	0.606	S	S	.	*			trans	-63.8	106.3	-163.2	-62.6	172.3	0	0	0	105.4	L562 F566 L568	L562-I564 VanDerWaalsContact C-N 3.34Å; L562-I564 PolarHBondContact O-N 3.33Å; I564-F566 PolarHBondContact O-N 2.02Å; I564-L568 HydrophobicContact CG2-CB 4.03Å
565	P	24.6	Very low	32.9	Very low	60 Å²	60	106.3 Å²	106.3	39%	0.39	58%	0.583	S	S	.	*			trans	-60.7	117.9	-167.3	22.1	-33	0	0	0	107.8	A563 G567 L568	A563-P565 WeakPolarHBondContact O-CD 3.22Å; P565-G567 PolarHBondContact O-N 2.75Å; P565-L568 HydrophobicContact CG-CD1 3.65Å; P565-L568 HydrophobicContact CG-CG 4.03Å; P565-L568 PolarHBondContact O-N 3.24Å
566	F	31.8	Very low	34.6	Very low	72 Å²	72	103.4 Å²	103.4	32%	0.316	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.6	112.8	-172.2	-70.5	-91.6	0	0	0	109.1	L313 D316 K320 I564	L313-F566 HydrophobicContact CD2-CE1 3.98Å; L313-F566 HydrophobicContact CD2-CE2 4.18Å; L313-F566 HydrophobicContact CD2-CZ 3.48Å; L313-F566 VanDerWaalsContact CD2-CZ 3.48Å; L313-F566 HydrophobicContact CG-CZ 4.44Å; D316-F566 HydrophobicContact CB-CD2 4.27Å; D316-F566 HydrophobicContact CB-CE2 4.48Å; D316-F566 VanDerWaalsContact OD2-CD2 3.22Å; D316-F566 WeakPolarHBondContact OD2-CD2 3.39Å; D316-F566 WeakPolarHBondContact OD2-CE2 3.22Å; K320-F566 PolarHBondContact NZ-O 2.87Å; I564-F566 PolarHBondContact O-N 2.02Å
567	G	30	Very low	36.5	Very low	72 Å²	72	101.2 Å²	101.2	74%	0.742	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.4	-27.9	-161.9	0	0	0	0	0	114.1	P565	P565-G567 PolarHBondContact O-N 2.75Å
568	L	27.5	Very low	38.5	Very low	113 Å²	113	101.5 Å²	101.5	59%	0.592	54%	0.542	S	S	*	.			trans	-87.5	-15.3	177.6	-74.9	-174.5	0	0	0	115.5	I564 P565 K570	I564-L568 HydrophobicContact CG2-CB 4.03Å; P565-L568 HydrophobicContact CG-CD1 3.65Å; P565-L568 HydrophobicContact CG-CG 4.03Å; P565-L568 PolarHBondContact O-N 3.24Å; L568-K570 VanDerWaalsContact C-N 3.31Å; L568-K570 PolarHBondContact O-N 3.19Å
569	N	34.4	Very low	40.5	Very low	88 Å²	88	95.9 Å²	95.9	47%	0.471	51%	0.508	S	S	.	.			trans	-66.7	94.3	166.1	-78.1	-15.3	0	0	0	108.7	F571	N569-F571 VanDerWaalsContact C-N 3.28Å; N569-F571 HydrophobicContact CB-CD2 4.41Å; N569-F571 HydrophobicContact CB-CE2 4.11Å; N569-F571 WeakPolarHBondContact O-CD2 3.42Å; N569-F571 PolarHBondContact O-N 3.44Å
570	K	31.9	Very low	42.6	Very low	188 Å²	188	92.6 Å²	92.6	82%	0.817	50%	0.5	S	S	*	.			trans	-64.8	93.2	164.8	-67.2	-176.1	-177.1	178.6	0	107.7	L568 D572	L568-K570 VanDerWaalsContact C-N 3.31Å; L568-K570 PolarHBondContact O-N 3.19Å; K570-D572 PolarHBondContact O-N 3.48Å
571	F	37.7	Very low	44.7	Very low	103 Å²	103	88 Å²	88	45%	0.452	49%	0.492	S	S	.	.			trans	-66	118.8	156.4	-70.9	-86.8	0	0	0	106.7	N569 G573 P575 V598	N569-F571 VanDerWaalsContact C-N 3.28Å; N569-F571 HydrophobicContact CB-CD2 4.41Å; N569-F571 HydrophobicContact CB-CE2 4.11Å; N569-F571 WeakPolarHBondContact O-CD2 3.42Å; N569-F571 PolarHBondContact O-N 3.44Å; F571-G573 PolarHBondContact O-N 3.42Å; F571-G573 VanDerWaalsContact O-O 3.12Å; F571-P575 HydrophobicContact CB-CB 4.4Å; F571-P575 HydrophobicContact CB-CG 4.41Å; F571-P575 HydrophobicContact CD1-CB 4.49Å; F571-P575 HydrophobicContact CD2-CB 4.23Å; F571-P575 HydrophobicContact CD2-CG 4.25Å; F571-P575 HydrophobicContact CG-CB 4.12Å; F571-P575 HydrophobicContact CG-CG 4.4Å; F571-V598 HydrophobicContact CD1-CG2 4.06Å; F571-V598 HydrophobicContact CE1-CG2 3.76Å; F571-V598 HydrophobicContact CZ-CG2 4.44Å
572	D	43.2	Very low	46.5	Very low	144 Å²	144	90.3 Å²	90.3	77%	0.77	50%	0.496	S	S	*	.	S	Bend	trans	-72.8	79	171.3	-69.6	-40.6	0	0	0	108.7	K570	K570-D572 PolarHBondContact O-N 3.48Å
573	G	46.8	Very low	48.4	Very low	56 Å²	56	86.5 Å²	86.5	58%	0.577	47%	0.473	S	S	*	.	S	Bend	trans	148.2	175.5	-173.1	0	0	0	0	0	111.6	F571 P575	F571-G573 PolarHBondContact O-N 3.42Å; F571-G573 VanDerWaalsContact O-O 3.12Å; G573-P575 WeakPolarHBondContact O-CD 3.02Å
574	R	52.6	Low	50.1	Low	204 Å²	204	91 Å²	91	77%	0.77	49%	0.488	S	S	*	.			trans	-82.4	120.9	164.7	-58	-173.9	-179.3	-141.2	0.4	106.9	Y576 S597	R574-Y576 VanDerWaalsContact CB-O 3.29Å; R574-Y576 WeakPolarHBondContact CB-O 3.33Å; R574-Y576 PolarHBondContact O-N 3.15Å; R574-Y576 VanDerWaalsContact O-N 3.13Å; R574-S597 PolarHBondContact O-OG 3.33Å
575	P	51.5	Low	52.1	Low	32 Å²	32	94.6 Å²	94.6	21%	0.208	51%	0.509	C	S	.	.	S	Bend	trans	-69.6	-6.6	176.5	23	-26.7	0	0	0	112.8	F571 G573 S597 V598	F571-P575 HydrophobicContact CB-CB 4.4Å; F571-P575 HydrophobicContact CB-CG 4.41Å; F571-P575 HydrophobicContact CD1-CB 4.49Å; F571-P575 HydrophobicContact CD2-CB 4.23Å; F571-P575 HydrophobicContact CD2-CG 4.25Å; F571-P575 HydrophobicContact CG-CB 4.12Å; F571-P575 HydrophobicContact CG-CG 4.4Å; G573-P575 WeakPolarHBondContact O-CD 3.02Å; P575-S597 PolarHBondContact O-N 3.47Å; P575-S597 VanDerWaalsContact O-N 3.11Å; P575-V598 HydrophobicContact CB-CG2 4.02Å
576	Y	57.8	Low	54	Low	35 Å²	35	94.2 Å²	94.2	14%	0.137	50%	0.499	C	S	.	.			trans	-150.2	149.3	175.8	57.4	-83.1	0	0	0	111.2	R574 V594 Y595 V663 L664 R667	R574-Y576 VanDerWaalsContact CB-O 3.29Å; R574-Y576 WeakPolarHBondContact CB-O 3.33Å; R574-Y576 PolarHBondContact O-N 3.15Å; R574-Y576 VanDerWaalsContact O-N 3.13Å; Y576-V594 HydrophobicContact CD2-CG1 4.45Å; Y576-V594 HydrophobicContact CG-CG1 4.41Å; Y576-Y595 CarbonylContact C-O 3.52Å; Y576-Y595 WeakPolarHBondContact CA-O 3.18Å; Y576-V663 HydrophobicContact CD1-CG1 3.87Å; Y576-V663 HydrophobicContact CE1-CG1 3.19Å; Y576-L664 HydrophobicContact CD2-CD2 3.96Å; Y576-L664 HydrophobicContact CE2-CD2 4.18Å; Y576-L664 HydrophobicContact CG-CD2 4.31Å; Y576-R667 WeakPolarHBondContact OH-CB 3.29Å; Y576-R667 WeakPolarHBondContact OH-CD 3.42Å; Y576-R667 WeakPolarHBondContact OH-CG 3.42Å; Y576-R667 PolarHBondContact OH-NH1 3.17Å
577	E	66	Low	55.7	Low	88 Å²	88	91.7 Å²	91.7	41%	0.411	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	169.4	173	59.4	-153.8	132.8	0	0	110.2	V594 Y595 S597	E577-V594 CarbonylContact O-C 3.57Å; E577-V594 WeakPolarHBondContact O-CA 3.21Å; E577-Y595 HydrophobicContact CG-CD1 3.79Å; E577-Y595 HydrophobicContact CG-CG 4.29Å; E577-Y595 PolarHBondContact N-O 3Å; E577-Y595 PolarHBondContact O-N 3.01Å; E577-Y595 WeakPolarHBondContact OE1-CD1 3.07Å; E577-Y595 WeakPolarHBondContact OE1-CE1 3.5Å; E577-S597 PolarHBondContact OE1-OG 3.2Å
578	N	69.4	Low	57.3	Low	98 Å²	98	96.3 Å²	96.3	52%	0.524	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	143.3	169.6	-66.7	-16.4	0	0	0	108.1	T580 K592	N578-T580 PolarHBondContact O-N 3.43Å; N578-K592 WeakPolarHBondContact OD1-CE 3.45Å; N578-K592 PolarHBondContact OD1-NZ 2.96Å
579	C	71.4	Confident	58.7	Low	15 Å²	15	94 Å²	94	10%	0.101	48%	0.475	C	S	.	.			trans	-60.7	135.2	173	-61	0	0	0	0	111.5	Y583 C593 V594 Y595	C579-Y583 VanDerWaalsContact CB-O 3.3Å; C579-Y583 WeakPolarHBondContact CB-O 3.15Å; C579-C593 HydrophobicContact CB-CB 3.53Å; C579-C593 WeakPolarHBondContact CB-SG 3.31Å; C579-C593 PolarHBondContact N-O 2.97Å; C579-C593 WeakPolarHBondContact SG-CB 3.38Å; C579-C593 CovalentContact SG-SG 2.02Å; C579-C593 PolarHBondContact SG-SG 2.98Å; C579-V594 PolarHBondContact SG-N 3.33Å; C579-Y595 PolarHBondContact SG-N 2.9Å
580	T	73.1	Confident	59.9	Low	100 Å²	100	91 Å²	91	61%	0.613	46%	0.463	S	S	*	.			trans	-139.2	160.2	176.4	55.3	0	0	0	0	110	N578 Q582 Y583	N578-T580 PolarHBondContact O-N 3.43Å; T580-Q582 PolarHBondContact O-N 2.03Å; T580-Y583 PolarHBondContact O-N 2.74Å
581	G	74.9	Confident	61.4	Low	52 Å²	52	86.9 Å²	86.9	54%	0.536	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	60.6	-125.3	177.3	0	0	0	0	0	112.3	Y583 E584	G581-Y583 PolarHBondContact O-N 3.47Å; G581-E584 VanDerWaalsContact O-CB 3.26Å; G581-E584 WeakPolarHBondContact O-CB 3.46Å; G581-E584 PolarHBondContact O-N 3.06Å
582	Q	68.4	Low	62.7	Low	163 Å²	163	85.3 Å²	85.3	76%	0.762	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-57.2	-18.5	-177.8	68.5	178.4	-32.9	0	0	114.8	T580	T580-Q582 PolarHBondContact O-N 2.03Å
583	Y	67.2	Low	64.1	Low	34 Å²	34	79.4 Å²	79.4	13%	0.133	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-103.1	-2.7	177.9	-61	-59.2	0	0	0	114.5	R158 C579 T580 G581 N585 Y586 C593 Y595 A602	R158-Y583 PolarHBondContact NH2-OH 2.92Å; C579-Y583 VanDerWaalsContact CB-O 3.3Å; C579-Y583 WeakPolarHBondContact CB-O 3.15Å; T580-Y583 PolarHBondContact O-N 2.74Å; G581-Y583 PolarHBondContact O-N 3.47Å; Y583-N585 VanDerWaalsContact C-N 3.32Å; Y583-N585 PolarHBondContact O-N 3.2Å; Y583-Y586 HydrophobicContact CD1-CD2 4.19Å; Y583-Y586 HydrophobicContact CD1-CG 4.34Å; Y583-Y586 WeakPolarHBondContact O-CB 3.17Å; Y583-Y586 PolarHBondContact O-N 2.87Å; Y583-C593 PolarHBondContact O-SG 2.92Å; Y583-C593 VanDerWaalsContact O-SG 3.41Å; Y583-Y595 AromaticContact CD2-CD2 3.47Å; Y583-Y595 HydrophobicContact CD2-CD2 3.47Å; Y583-Y595 VanDerWaalsContact CD2-CD2 3.47Å; Y583-Y595 AromaticContact CD2-CE2 3.56Å; Y583-Y595 HydrophobicContact CD2-CE2 3.56Å; Y583-Y595 AromaticContact CE2-CD2 3.86Å; Y583-Y595 HydrophobicContact CE2-CD2 3.86Å; Y583-Y595 AromaticContact CE2-CE2 3.45Å; Y583-Y595 HydrophobicContact CE2-CE2 3.45Å; Y583-Y595 VanDerWaalsContact CE2-CE2 3.45Å; Y583-Y595 HydrophobicContact CG-CD2 4.23Å; Y583-A602 HydrophobicContact CD1-CB 3.68Å; Y583-A602 HydrophobicContact CG-CB 3.85Å
584	E	65.5	Low	65	Low	130 Å²	130	76.9 Å²	76.9	61%	0.607	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-55.6	-46.5	-177.6	-173.1	168.4	-175.6	0	0	111.8	G581	G581-E584 VanDerWaalsContact O-CB 3.26Å; G581-E584 WeakPolarHBondContact O-CB 3.46Å; G581-E584 PolarHBondContact O-N 3.06Å
585	N	67.8	Low	65.6	Low	140 Å²	140	69.1 Å²	69.1	75%	0.749	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-91.9	14.4	176.3	-63	-41.4	0	0	0	113.8	Y583 C587	Y583-N585 VanDerWaalsContact C-N 3.32Å; Y583-N585 PolarHBondContact O-N 3.2Å; N585-C587 PolarHBondContact O-N 2.8Å
586	Y	65.6	Low	66	Low	51 Å²	51	67.8 Å²	67.8	20%	0.2	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-66.9	-23.6	-178.8	-176.1	-97.2	0	0	0	112.7	Y583 A602 R614	Y583-Y586 HydrophobicContact CD1-CD2 4.19Å; Y583-Y586 HydrophobicContact CD1-CG 4.34Å; Y583-Y586 WeakPolarHBondContact O-CB 3.17Å; Y583-Y586 PolarHBondContact O-N 2.87Å; Y586-A602 HydrophobicContact CD1-CB 3.29Å; Y586-A602 HydrophobicContact CD2-CB 4.27Å; Y586-A602 HydrophobicContact CE1-CB 3.75Å; Y586-A602 WeakPolarHBondContact CE1-O 3.49Å; Y586-A602 HydrophobicContact CG-CB 3.6Å; Y586-R614 HydrophobicContact CE1-CG 4.31Å; Y586-R614 WeakPolarHBondContact O-CD 3.49Å; Y586-R614 PolarHBondContact O-NH1 3.44Å
587	C	66.3	Low	66	Low	19 Å²	19	68 Å²	68	13%	0.128	35%	0.353	C	S	.	.			trans	-120.5	72.5	-177.4	-60	0	0	0	0	113.1	N585 N589 A590 C593 C604	N585-C587 PolarHBondContact O-N 2.8Å; C587-N589 PolarHBondContact O-N 2.87Å; C587-N589 VanDerWaalsContact O-N 3.15Å; C587-A590 HydrophobicContact CB-CB 3.5Å; C587-A590 PolarHBondContact O-N 2.83Å; C587-C593 HydrophobicContact CB-CB 3.86Å; C587-C593 WeakPolarHBondContact SG-CB 3.47Å; C587-C593 PolarHBondContact SG-SG 2.88Å; C587-C604 VanDerWaalsContact CA-SG 3.55Å; C587-C604 HydrophobicContact CB-CB 3.9Å; C587-C604 WeakPolarHBondContact CB-SG 3.29Å; C587-C604 WeakPolarHBondContact SG-CA 3.15Å; C587-C604 WeakPolarHBondContact SG-CB 3.32Å; C587-C604 CovalentContact SG-SG 2.03Å; C587-C604 PolarHBondContact SG-SG 2.74Å
588	Y	63.4	Low	65.3	Low	169 Å²	169	66.3 Å²	66.3	66%	0.663	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-37.3	-177.4	-166.3	-108.7	0	0	0	114.6
589	N	58.2	Low	64.4	Low	66 Å²	66	63.7 Å²	63.7	35%	0.353	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	21.3	-176.7	-80.3	-38.4	0	0	0	114.1	C587 Y610	C587-N589 PolarHBondContact O-N 2.87Å; C587-N589 VanDerWaalsContact O-N 3.15Å; N589-Y610 HydrophobicContact CB-CD1 3.65Å; N589-Y610 HydrophobicContact CB-CE1 3.9Å
590	A	59.6	Low	63.7	Low	25 Å²	25	65.2 Å²	65.2	21%	0.207	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	152.9	179.5	0	0	0	0	0	113.3	C587 K592 C604 Y605	C587-A590 HydrophobicContact CB-CB 3.5Å; C587-A590 PolarHBondContact O-N 2.83Å; A590-K592 PolarHBondContact O-N 3.25Å; A590-C604 HydrophobicContact CB-CB 3.81Å; A590-Y605 WeakPolarHBondContact CB-O 3.46Å
591	I	63.3	Low	63.1	Low	101 Å²	101	62.2 Å²	62.2	52%	0.518	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-37.2	169.4	-59.7	164.6	0	0	0	109.6	Y605 R607	I591-Y605 HydrophobicContact CB-CD1 4.27Å; I591-Y605 WeakPolarHBondContact CB-O 3.29Å; I591-Y605 HydrophobicContact CD1-CD1 3.93Å; I591-Y605 HydrophobicContact CD1-CE1 4Å; I591-Y605 PolarHBondContact N-O 3.01Å; I591-R607 HydrophobicContact CD1-CB 4.15Å; I591-R607 HydrophobicContact CD1-CG 4.34Å; I591-R607 HydrophobicContact CG1-CB 3.87Å; I591-R607 HydrophobicContact CG1-CG 4.27Å
592	K	65.6	Low	62.5	Low	70 Å²	70	59.7 Å²	59.7	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	143.2	178.7	-165	166	-177.9	175.5	0	112.6	N578 A590 V594 Y605 L668	N578-K592 WeakPolarHBondContact OD1-CE 3.45Å; N578-K592 PolarHBondContact OD1-NZ 2.96Å; A590-K592 PolarHBondContact O-N 3.25Å; K592-V594 HydrophobicContact CG-CG2 4.36Å; K592-Y605 PolarHBondContact N-O 3.41Å; K592-Y605 PolarHBondContact O-N 2.97Å; K592-L668 HydrophobicContact CD-CD1 4.4Å; K592-L668 HydrophobicContact CD-CD2 4.19Å
593	C	71.6	Confident	62.4	Low	19 Å²	19	52.1 Å²	52.1	13%	0.128	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.8	165	-168.7	0	0	0	0	110	C579 Y583 C587 A603	C579-C593 HydrophobicContact CB-CB 3.53Å; C579-C593 WeakPolarHBondContact CB-SG 3.31Å; C579-C593 PolarHBondContact N-O 2.97Å; C579-C593 WeakPolarHBondContact SG-CB 3.38Å; C579-C593 CovalentContact SG-SG 2.02Å; C579-C593 PolarHBondContact SG-SG 2.98Å; Y583-C593 PolarHBondContact O-SG 2.92Å; Y583-C593 VanDerWaalsContact O-SG 3.41Å; C587-C593 HydrophobicContact CB-CB 3.86Å; C587-C593 WeakPolarHBondContact SG-CB 3.47Å; C587-C593 PolarHBondContact SG-SG 2.88Å; C593-A603 WeakPolarHBondContact CA-O 3.26Å
594	V	66	Low	62.3	Low	3 Å²	3	50.7 Å²	50.7	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.2	176	177	0	0	0	0	109.2	Y576 E577 C579 K592 A602 A603 L664	Y576-V594 HydrophobicContact CD2-CG1 4.45Å; Y576-V594 HydrophobicContact CG-CG1 4.41Å; E577-V594 CarbonylContact O-C 3.57Å; E577-V594 WeakPolarHBondContact O-CA 3.21Å; C579-V594 PolarHBondContact SG-N 3.33Å; K592-V594 HydrophobicContact CG-CG2 4.36Å; V594-A602 CarbonylContact O-C 3.42Å; V594-A602 WeakPolarHBondContact O-CA 3.12Å; V594-A603 PolarHBondContact N-O 3.31Å; V594-A603 PolarHBondContact O-N 3.16Å; V594-L664 HydrophobicContact CB-CD1 4.22Å; V594-L664 HydrophobicContact CG1-CD1 4.21Å; V594-L664 HydrophobicContact CG1-CD2 4.06Å; V594-L664 HydrophobicContact CG2-CD1 3.91Å; V594-L664 HydrophobicContact CG2-CD2 4.01Å
595	Y	65.5	Low	62.3	Low	41 Å²	41	48.4 Å²	48.4	16%	0.161	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.1	169.1	-178.8	-95.7	0	0	0	109.3	Y576 E577 C579 Y583 E600	Y576-Y595 CarbonylContact C-O 3.52Å; Y576-Y595 WeakPolarHBondContact CA-O 3.18Å; E577-Y595 HydrophobicContact CG-CD1 3.79Å; E577-Y595 HydrophobicContact CG-CG 4.29Å; E577-Y595 PolarHBondContact N-O 3Å; E577-Y595 PolarHBondContact O-N 3.01Å; E577-Y595 WeakPolarHBondContact OE1-CD1 3.07Å; E577-Y595 WeakPolarHBondContact OE1-CE1 3.5Å; C579-Y595 PolarHBondContact SG-N 2.9Å; Y583-Y595 AromaticContact CD2-CD2 3.47Å; Y583-Y595 HydrophobicContact CD2-CD2 3.47Å; Y583-Y595 VanDerWaalsContact CD2-CD2 3.47Å; Y583-Y595 AromaticContact CD2-CE2 3.56Å; Y583-Y595 HydrophobicContact CD2-CE2 3.56Å; Y583-Y595 AromaticContact CE2-CD2 3.86Å; Y583-Y595 HydrophobicContact CE2-CD2 3.86Å; Y583-Y595 AromaticContact CE2-CE2 3.45Å; Y583-Y595 HydrophobicContact CE2-CE2 3.45Å; Y583-Y595 VanDerWaalsContact CE2-CE2 3.45Å; Y583-Y595 HydrophobicContact CG-CD2 4.23Å; Y595-E600 HydrophobicContact CE2-CB 4.48Å; Y595-E600 WeakPolarHBondContact CE2-O 3.44Å; Y595-E600 WeakPolarHBondContact OH-CA 3.45Å; Y595-E600 VanDerWaalsContact OH-CB 3.26Å; Y595-E600 WeakPolarHBondContact OH-CB 3.36Å; Y595-E600 WeakPolarHBondContact OH-CG 3.33Å
596	I	60.1	Low	62.1	Low	4 Å²	4	43 Å²	43	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	97.8	-179.5	-56.6	154.8	0	0	0	107.3	V598 L599 E600 T601 A603 F618 V660	I596-V598 HydrophobicContact CG2-CB 4.42Å; I596-V598 PolarHBondContact O-N 2.96Å; I596-L599 HydrophobicContact CB-CB 4.32Å; I596-L599 HydrophobicContact CD1-CD1 4.18Å; I596-L599 HydrophobicContact CG2-CB 4.07Å; I596-L599 HydrophobicContact CG2-CD1 4.2Å; I596-L599 HydrophobicContact CG2-CG 3.98Å; I596-L599 CarbonylContact O-C 3.55Å; I596-L599 PolarHBondContact O-N 3.14Å; I596-E600 VanDerWaalsContact O-CA 3.31Å; I596-E600 WeakPolarHBondContact O-CA 2.95Å; I596-E600 PolarHBondContact O-N 2.86Å; I596-T601 WeakPolarHBondContact CB-O 3.4Å; I596-T601 HydrophobicContact CD1-CG2 3.9Å; I596-T601 PolarHBondContact N-O 3.49Å; I596-T601 PolarHBondContact O-N 3.04Å; I596-A603 HydrophobicContact CD1-CB 3.63Å; I596-A603 HydrophobicContact CG1-CB 4.26Å; I596-F618 HydrophobicContact CD1-CE1 4.28Å; I596-V660 HydrophobicContact CB-CG2 4.31Å; I596-V660 HydrophobicContact CD1-CB 4.3Å; I596-V660 HydrophobicContact CD1-CG1 3.93Å; I596-V660 HydrophobicContact CD1-CG2 3.7Å; I596-V660 HydrophobicContact CG1-CB 4.46Å; I596-V660 HydrophobicContact CG1-CG1 3.91Å; I596-V660 HydrophobicContact CG1-CG2 3.71Å; I596-V660 HydrophobicContact CG2-CG2 3.6Å
597	S	57.8	Low	61.9	Low	39 Å²	39	47.5 Å²	47.5	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.3	-173.6	-39.5	0	0	0	0	113.1	R574 P575 E577	R574-S597 PolarHBondContact O-OG 3.33Å; P575-S597 PolarHBondContact O-N 3.47Å; P575-S597 VanDerWaalsContact O-N 3.11Å; E577-S597 PolarHBondContact OE1-OG 3.2Å
598	V	51	Low	61.8	Low	53 Å²	53	53.1 Å²	53.1	32%	0.321	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-28.5	175.9	-176.1	0	0	0	0	113.4	L151 F571 P575 I596	L151-V598 HydrophobicContact CD1-CG1 3.86Å; L151-V598 HydrophobicContact CD2-CG1 4.37Å; F571-V598 HydrophobicContact CD1-CG2 4.06Å; F571-V598 HydrophobicContact CE1-CG2 3.76Å; F571-V598 HydrophobicContact CZ-CG2 4.44Å; P575-V598 HydrophobicContact CB-CG2 4.02Å; I596-V598 HydrophobicContact CG2-CB 4.42Å; I596-V598 PolarHBondContact O-N 2.96Å
599	L	49.8	Very low	61.7	Low	43 Å²	43	48.8 Å²	48.8	23%	0.225	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-5.5	175.9	-63.8	-179.2	0	0	0	112.3	L151 R158 I596 T601 A656	L151-L599 HydrophobicContact CD2-CD2 3.69Å; R158-L599 PolarHBondContact NH1-O 3.01Å; I596-L599 HydrophobicContact CB-CB 4.32Å; I596-L599 HydrophobicContact CD1-CD1 4.18Å; I596-L599 HydrophobicContact CG2-CB 4.07Å; I596-L599 HydrophobicContact CG2-CD1 4.2Å; I596-L599 HydrophobicContact CG2-CG 3.98Å; I596-L599 CarbonylContact O-C 3.55Å; I596-L599 PolarHBondContact O-N 3.14Å; L599-T601 HydrophobicContact CB-CG2 3.72Å; L599-T601 HydrophobicContact CD1-CG2 3.97Å; L599-T601 PolarHBondContact O-N 3.29Å; L599-A656 HydrophobicContact CD1-CB 3.98Å; L599-A656 HydrophobicContact CD2-CB 4.09Å; L599-A656 HydrophobicContact CG-CB 4.43Å
600	E	56.9	Low	61.8	Low	48 Å²	48	51 Å²	51	22%	0.224	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	18.7	-163.5	-65.5	-177.7	166.1	0	0	113.6	K155 R158 Y595 I596	K155-E600 WeakPolarHBondContact CD-OE1 3Å; K155-E600 WeakPolarHBondContact CE-OE1 3.26Å; K155-E600 IonicContact NZ-OE1 2.72Å; K155-E600 PolarHBondContact NZ-OE1 3.17Å; R158-E600 PolarHBondContact NH1-O 2.83Å; R158-E600 PolarHBondContact NH2-O 2.87Å; Y595-E600 HydrophobicContact CE2-CB 4.48Å; Y595-E600 WeakPolarHBondContact CE2-O 3.44Å; Y595-E600 WeakPolarHBondContact OH-CA 3.45Å; Y595-E600 VanDerWaalsContact OH-CB 3.26Å; Y595-E600 WeakPolarHBondContact OH-CB 3.36Å; Y595-E600 WeakPolarHBondContact OH-CG 3.33Å; I596-E600 VanDerWaalsContact O-CA 3.31Å; I596-E600 WeakPolarHBondContact O-CA 2.95Å; I596-E600 PolarHBondContact O-N 2.86Å
601	T	60.2	Low	61.6	Low	36 Å²	36	55.2 Å²	55.2	22%	0.221	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.6	-170.8	-158.4	0	0	0	0	111.8	I596 L599	I596-T601 WeakPolarHBondContact CB-O 3.4Å; I596-T601 HydrophobicContact CD1-CG2 3.9Å; I596-T601 PolarHBondContact N-O 3.49Å; I596-T601 PolarHBondContact O-N 3.04Å; L599-T601 HydrophobicContact CB-CG2 3.72Å; L599-T601 HydrophobicContact CD1-CG2 3.97Å; L599-T601 PolarHBondContact O-N 3.29Å
602	A	63.6	Low	61.4	Low	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142.8	169.9	0	0	0	0	0	111	Y583 Y586 V594 F618	Y583-A602 HydrophobicContact CD1-CB 3.68Å; Y583-A602 HydrophobicContact CG-CB 3.85Å; Y586-A602 HydrophobicContact CD1-CB 3.29Å; Y586-A602 HydrophobicContact CD2-CB 4.27Å; Y586-A602 HydrophobicContact CE1-CB 3.75Å; Y586-A602 WeakPolarHBondContact CE1-O 3.49Å; Y586-A602 HydrophobicContact CG-CB 3.6Å; V594-A602 CarbonylContact O-C 3.42Å; V594-A602 WeakPolarHBondContact O-CA 3.12Å; A602-F618 WeakPolarHBondContact O-CZ 3.37Å
603	A	64.8	Low	60.9	Low	4 Å²	4	52.6 Å²	52.6	3%	0.033	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	177.1	0	0	0	0	0	110.7	C593 V594 I596 F618	C593-A603 WeakPolarHBondContact CA-O 3.26Å; V594-A603 PolarHBondContact N-O 3.31Å; V594-A603 PolarHBondContact O-N 3.16Å; I596-A603 HydrophobicContact CD1-CB 3.63Å; I596-A603 HydrophobicContact CG1-CB 4.26Å; A603-F618 VanDerWaalsContact CA-CE2 3.45Å; A603-F618 HydrophobicContact CB-CD1 3.6Å; A603-F618 HydrophobicContact CB-CD2 4Å; A603-F618 HydrophobicContact CB-CE1 3.41Å; A603-F618 VanDerWaalsContact CB-CE1 3.41Å; A603-F618 HydrophobicContact CB-CE2 3.84Å; A603-F618 HydrophobicContact CB-CG 3.89Å; A603-F618 HydrophobicContact CB-CZ 3.52Å
604	C	65.9	Low	60.3	Low	4 Å²	4	55 Å²	55	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.7	-177.1	-60.1	0	0	0	0	110.8	C587 A590 C606 R614	C587-C604 VanDerWaalsContact CA-SG 3.55Å; C587-C604 HydrophobicContact CB-CB 3.9Å; C587-C604 WeakPolarHBondContact CB-SG 3.29Å; C587-C604 WeakPolarHBondContact SG-CA 3.15Å; C587-C604 WeakPolarHBondContact SG-CB 3.32Å; C587-C604 CovalentContact SG-SG 2.03Å; C587-C604 PolarHBondContact SG-SG 2.74Å; A590-C604 HydrophobicContact CB-CB 3.81Å; C604-C606 PolarHBondContact O-N 3.22Å; C604-R614 HydrophobicContact CB-CB 4.5Å; C604-R614 WeakPolarHBondContact CB-O 3.32Å
605	Y	64.4	Low	59.9	Low	81 Å²	81	55.8 Å²	55.8	32%	0.318	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	90.9	168.3	-166.5	-93.8	0	0	0	108.9	A590 I591 K592 W672	A590-Y605 WeakPolarHBondContact CB-O 3.46Å; I591-Y605 HydrophobicContact CB-CD1 4.27Å; I591-Y605 WeakPolarHBondContact CB-O 3.29Å; I591-Y605 HydrophobicContact CD1-CD1 3.93Å; I591-Y605 HydrophobicContact CD1-CE1 4Å; I591-Y605 PolarHBondContact N-O 3.01Å; K592-Y605 PolarHBondContact N-O 3.41Å; K592-Y605 PolarHBondContact O-N 2.97Å; Y605-W672 HydrophobicContact CE1-CH2 4.12Å; Y605-W672 HydrophobicContact CE1-CZ2 4.28Å
606	C	64.4	Low	59.5	Low	26 Å²	26	55.7 Å²	55.7	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	152.6	-171.3	-65.6	0	0	0	0	114.4	C604 C615	C604-C606 PolarHBondContact O-N 3.22Å; C606-C615 HydrophobicContact CB-CB 3.48Å; C606-C615 VanDerWaalsContact CB-CB 3.48Å; C606-C615 WeakPolarHBondContact CB-SG 3.44Å; C606-C615 WeakPolarHBondContact SG-CA 3.49Å; C606-C615 WeakPolarHBondContact SG-CB 3.17Å; C606-C615 CovalentContact SG-SG 2.03Å; C606-C615 PolarHBondContact SG-SG 3.35Å
607	R	61.7	Low	59	Low	147 Å²	147	57.1 Å²	57.1	56%	0.555	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-68.7	143	178.3	-163.7	179.4	-161.3	170.7	7.8	110	I591 G609 Y610	I591-R607 HydrophobicContact CD1-CB 4.15Å; I591-R607 HydrophobicContact CD1-CG 4.34Å; I591-R607 HydrophobicContact CG1-CB 3.87Å; I591-R607 HydrophobicContact CG1-CG 4.27Å; R607-G609 PolarHBondContact O-N 3.41Å; R607-Y610 HydrophobicContact CB-CD2 3.73Å; R607-Y610 HydrophobicContact CB-CE2 4.06Å; R607-Y610 HydrophobicContact CG-CD2 4.44Å; R607-Y610 HydrophobicContact CG-CE2 4.46Å; R607-Y610 WeakPolarHBondContact O-CB 3.26Å; R607-Y610 PolarHBondContact O-N 2.94Å
608	T	63.5	Low	58.6	Low	137 Å²	137	56 Å²	56	84%	0.84	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	121.8	178.8	50.8	0	0	0	0	111.2
609	G	61.9	Low	58.9	Low	77 Å²	77	56.4 Å²	56.4	79%	0.794	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-14.5	-177.4	0	0	0	0	0	115	R607	R607-G609 PolarHBondContact O-N 3.41Å
610	Y	59.8	Low	59	Low	113 Å²	113	55.5 Å²	55.5	44%	0.443	31%	0.307	S	S	.	.			trans	-84.1	125.5	171.1	-74	-103	0	0	0	110.5	N589 R607	N589-Y610 HydrophobicContact CB-CD1 3.65Å; N589-Y610 HydrophobicContact CB-CE1 3.9Å; R607-Y610 HydrophobicContact CB-CD2 3.73Å; R607-Y610 HydrophobicContact CB-CE2 4.06Å; R607-Y610 HydrophobicContact CG-CD2 4.44Å; R607-Y610 HydrophobicContact CG-CE2 4.46Å; R607-Y610 WeakPolarHBondContact O-CB 3.26Å; R607-Y610 PolarHBondContact O-N 2.94Å
611	T	56.5	Low	58.8	Low	114 Å²	114	57 Å²	57	70%	0.699	32%	0.321	S	S	*	.			trans	-113.8	168.3	175.7	54.1	0	0	0	0	110.2
612	G	58.5	Low	58.7	Low	27 Å²	27	57.9 Å²	57.9	28%	0.278	32%	0.322	S	S	.	.	S	Bend	trans	134.2	156.9	-178.4	0	0	0	0	0	111.1	R614 C615 D616	G612-R614 VanDerWaalsContact C-N 3.27Å; G612-R614 PolarHBondContact O-N 3.32Å; G612-C615 WeakPolarHBondContact O-CA 3.44Å; G612-C615 WeakPolarHBondContact O-CB 3.24Å; G612-C615 PolarHBondContact O-N 2.83Å; G612-D616 PolarHBondContact N-OD2 3.45Å; G612-D616 PolarHBondContact O-N 3.25Å
613	V	55.1	Low	58.4	Low	88 Å²	88	57.9 Å²	57.9	53%	0.533	32%	0.322	S	S	.	.	H	α-helix	trans	-49.7	-44.7	-168.2	-175.8	0	0	0	0	112.8	C615 M617	V613-C615 VanDerWaalsContact C-N 3.34Å; V613-C615 PolarHBondContact O-N 3.45Å; V613-M617 WeakPolarHBondContact O-CB 3.43Å; V613-M617 PolarHBondContact O-N 2.91Å
614	R	58.2	Low	57.9	Low	69 Å²	69	59.1 Å²	59.1	26%	0.26	33%	0.328	S	S	.	.	H	α-helix	trans	-72.4	-21.9	180	-57.6	-175.4	-167	162.6	10.5	113.9	Y586 C604 G612 F618	Y586-R614 HydrophobicContact CE1-CG 4.31Å; Y586-R614 WeakPolarHBondContact O-CD 3.49Å; Y586-R614 PolarHBondContact O-NH1 3.44Å; C604-R614 HydrophobicContact CB-CB 4.5Å; C604-R614 WeakPolarHBondContact CB-O 3.32Å; G612-R614 VanDerWaalsContact C-N 3.27Å; G612-R614 PolarHBondContact O-N 3.32Å; R614-F618 WeakPolarHBondContact O-CD2 3.39Å
615	C	58.9	Low	57.5	Low	20 Å²	20	63.2 Å²	63.2	14%	0.135	35%	0.35	C	S	.	.	H	α-helix	trans	-90.9	-44.5	178.9	-65.7	0	0	0	0	112.4	C606 G612 V613 M617 F618	C606-C615 HydrophobicContact CB-CB 3.48Å; C606-C615 VanDerWaalsContact CB-CB 3.48Å; C606-C615 WeakPolarHBondContact CB-SG 3.44Å; C606-C615 WeakPolarHBondContact SG-CA 3.49Å; C606-C615 WeakPolarHBondContact SG-CB 3.17Å; C606-C615 CovalentContact SG-SG 2.03Å; C606-C615 PolarHBondContact SG-SG 3.35Å; G612-C615 WeakPolarHBondContact O-CA 3.44Å; G612-C615 WeakPolarHBondContact O-CB 3.24Å; G612-C615 PolarHBondContact O-N 2.83Å; V613-C615 VanDerWaalsContact C-N 3.34Å; V613-C615 PolarHBondContact O-N 3.45Å; C615-M617 VanDerWaalsContact C-N 3.31Å; C615-M617 PolarHBondContact O-N 2.98Å; C615-F618 PolarHBondContact O-N 3.21Å
616	D	55.9	Low	57.2	Low	40 Å²	40	60.6 Å²	60.6	21%	0.214	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-36.7	178.9	-67.9	-55.3	0	0	0	111.3	G612 F618 N619 Q622	G612-D616 PolarHBondContact N-OD2 3.45Å; G612-D616 PolarHBondContact O-N 3.25Å; D616-F618 VanDerWaalsContact C-N 3.25Å; D616-F618 PolarHBondContact O-N 3.18Å; D616-N619 WeakPolarHBondContact O-CB 3.13Å; D616-N619 PolarHBondContact O-N 3.27Å; D616-Q622 PolarHBondContact O-OE1 3.18Å
617	M	49.9	Very low	56.7	Low	34 Å²	34	59.4 Å²	59.4	17%	0.167	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.2	-179.1	-169.8	164.2	75	0	0	114.3	V613 C615 R657	V613-M617 WeakPolarHBondContact O-CB 3.43Å; V613-M617 PolarHBondContact O-N 2.91Å; C615-M617 VanDerWaalsContact C-N 3.31Å; C615-M617 PolarHBondContact O-N 2.98Å; M617-R657 WeakPolarHBondContact O-CD 3.39Å; M617-R657 VanDerWaalsContact O-CZ 3.23Å; M617-R657 PolarHBondContact O-NE 2.93Å; M617-R657 PolarHBondContact O-NH1 3.35Å
618	F	50.1	Low	56.4	Low	15 Å²	15	56.2 Å²	56.2	7%	0.066	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	8.6	-179.1	-62.2	-75.5	0	0	0	114.3	I596 A602 A603 R614 C615 D616 L620 R657 N661	I596-F618 HydrophobicContact CD1-CE1 4.28Å; A602-F618 WeakPolarHBondContact O-CZ 3.37Å; A603-F618 VanDerWaalsContact CA-CE2 3.45Å; A603-F618 HydrophobicContact CB-CD1 3.6Å; A603-F618 HydrophobicContact CB-CD2 4Å; A603-F618 HydrophobicContact CB-CE1 3.41Å; A603-F618 VanDerWaalsContact CB-CE1 3.41Å; A603-F618 HydrophobicContact CB-CE2 3.84Å; A603-F618 HydrophobicContact CB-CG 3.89Å; A603-F618 HydrophobicContact CB-CZ 3.52Å; R614-F618 WeakPolarHBondContact O-CD2 3.39Å; C615-F618 PolarHBondContact O-N 3.21Å; D616-F618 VanDerWaalsContact C-N 3.25Å; D616-F618 PolarHBondContact O-N 3.18Å; F618-L620 PolarHBondContact O-N 2.64Å; F618-L620 VanDerWaalsContact O-N 3.12Å; F618-R657 HydrophobicContact CD1-CG 4.41Å; F618-R657 HydrophobicContact CE1-CG 4.48Å; F618-N661 PolarHBondContact O-ND2 3.39Å
619	N	56.3	Low	56.3	Low	61 Å²	61	53.7 Å²	53.7	33%	0.326	31%	0.311	S	S	.	.			trans	-64	114.7	178.7	-171.3	-47.9	0	0	0	110.6	D616 P621 Q622 T623	D616-N619 WeakPolarHBondContact O-CB 3.13Å; D616-N619 PolarHBondContact O-N 3.27Å; N619-P621 WeakPolarHBondContact OD1-CB 3.46Å; N619-P621 WeakPolarHBondContact OD1-CD 3.34Å; N619-P621 WeakPolarHBondContact OD1-CG 3.43Å; N619-Q622 HydrophobicContact CB-CB 4.12Å; N619-Q622 HydrophobicContact CB-CG 3.91Å; N619-Q622 PolarHBondContact O-N 3.15Å; N619-Q622 VanDerWaalsContact O-N 3.15Å; N619-Q622 PolarHBondContact OD1-N 3.28Å; N619-T623 PolarHBondContact O-N 2.03Å; N619-T623 PolarHBondContact O-OG1 3.22Å
620	L	52.6	Low	56.1	Low	25 Å²	25	50.8 Å²	50.8	13%	0.131	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-49	-176.5	173.3	62.4	0	0	0	112.6	F618 Q622 T623 L624 Y658 N661 E665	F618-L620 PolarHBondContact O-N 2.64Å; F618-L620 VanDerWaalsContact O-N 3.12Å; L620-Q622 PolarHBondContact O-N 3.3Å; L620-T623 WeakPolarHBondContact O-CB 3.44Å; L620-T623 PolarHBondContact O-N 3.05Å; L620-T623 VanDerWaalsContact O-N 3.13Å; L620-L624 HydrophobicContact CD1-CD1 3.9Å; L620-L624 HydrophobicContact CD1-CG 3.84Å; L620-L624 HydrophobicContact CG-CD1 3.96Å; L620-L624 HydrophobicContact CG-CG 4.36Å; L620-L624 WeakPolarHBondContact O-CB 3.26Å; L620-L624 WeakPolarHBondContact O-CG 3.16Å; L620-L624 PolarHBondContact O-N 3.3Å; L620-Y658 HydrophobicContact CD1-CD2 3.66Å; L620-Y658 HydrophobicContact CD1-CE2 4.04Å; L620-N661 HydrophobicContact CB-CB 4.16Å; L620-N661 HydrophobicContact CD1-CB 3.84Å; L620-N661 HydrophobicContact CD2-CB 4.41Å; L620-N661 HydrophobicContact CG-CB 4.34Å; L620-E665 VanDerWaalsContact CD2-OE1 3.24Å; L620-E665 WeakPolarHBondContact CD2-OE1 3.05Å
621	P	52.3	Low	55.8	Low	80 Å²	80	52.6 Å²	52.6	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-46.5	-50.3	167.7	-31.7	31.3	0	0	0	114.7	N619 T623 L624 D625	N619-P621 WeakPolarHBondContact OD1-CB 3.46Å; N619-P621 WeakPolarHBondContact OD1-CD 3.34Å; N619-P621 WeakPolarHBondContact OD1-CG 3.43Å; P621-T623 VanDerWaalsContact C-N 3.34Å; P621-T623 PolarHBondContact O-N 2.81Å; P621-L624 PolarHBondContact O-N 3.45Å; P621-D625 WeakPolarHBondContact O-CB 3.07Å; P621-D625 VanDerWaalsContact O-CG 3.27Å; P621-D625 PolarHBondContact O-N 2.97Å
622	Q	58.3	Low	55.5	Low	54 Å²	54	55.9 Å²	55.9	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-41.9	178.1	-63.8	-173.1	27.2	0	0	111.6	D616 N619 L620 L624 D625 I626	D616-Q622 PolarHBondContact O-OE1 3.18Å; N619-Q622 HydrophobicContact CB-CB 4.12Å; N619-Q622 HydrophobicContact CB-CG 3.91Å; N619-Q622 PolarHBondContact O-N 3.15Å; N619-Q622 VanDerWaalsContact O-N 3.15Å; N619-Q622 PolarHBondContact OD1-N 3.28Å; L620-Q622 PolarHBondContact O-N 3.3Å; Q622-L624 PolarHBondContact O-N 2.92Å; Q622-D625 PolarHBondContact O-N 3.34Å; Q622-I626 WeakPolarHBondContact O-CD1 3.49Å; Q622-I626 VanDerWaalsContact O-CG1 3.22Å; Q622-I626 WeakPolarHBondContact O-CG1 3.14Å; Q622-I626 PolarHBondContact O-N 3.39Å
623	T	57.4	Low	55.5	Low	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-43.6	177.1	-55.9	0	0	0	0	111.8	N619 L620 P621 I626 L627 A654 R657	N619-T623 PolarHBondContact O-N 2.03Å; N619-T623 PolarHBondContact O-OG1 3.22Å; L620-T623 WeakPolarHBondContact O-CB 3.44Å; L620-T623 PolarHBondContact O-N 3.05Å; L620-T623 VanDerWaalsContact O-N 3.13Å; P621-T623 VanDerWaalsContact C-N 3.34Å; P621-T623 PolarHBondContact O-N 2.81Å; T623-I626 PolarHBondContact O-N 3.14Å; T623-L627 WeakPolarHBondContact O-CG 3.43Å; T623-L627 PolarHBondContact O-N 2.91Å; T623-A654 HydrophobicContact CG2-CB 4.13Å; T623-A654 WeakPolarHBondContact CG2-O 3.47Å; T623-R657 HydrophobicContact CG2-CB 3.67Å
624	L	53.9	Low	55.5	Low	30 Å²	30	58.1 Å²	58.1	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-68.7	-34.5	175.6	-73.3	172.3	0	0	0	112.2	T314 L620 P621 Q622 L627 K628 Y658	T314-L624 HydrophobicContact CG2-CD2 4.29Å; L620-L624 HydrophobicContact CD1-CD1 3.9Å; L620-L624 HydrophobicContact CD1-CG 3.84Å; L620-L624 HydrophobicContact CG-CD1 3.96Å; L620-L624 HydrophobicContact CG-CG 4.36Å; L620-L624 WeakPolarHBondContact O-CB 3.26Å; L620-L624 WeakPolarHBondContact O-CG 3.16Å; L620-L624 PolarHBondContact O-N 3.3Å; P621-L624 PolarHBondContact O-N 3.45Å; Q622-L624 PolarHBondContact O-N 2.92Å; L624-L627 PolarHBondContact O-N 3.19Å; L624-K628 VanDerWaalsContact O-CB 3.32Å; L624-K628 WeakPolarHBondContact O-CB 3.36Å; L624-K628 WeakPolarHBondContact O-CG 3.23Å; L624-K628 PolarHBondContact O-N 3.25Å; L624-Y658 HydrophobicContact CD2-CD2 3.66Å; L624-Y658 HydrophobicContact CD2-CE2 3.9Å; L624-Y658 HydrophobicContact CG-CD2 4.34Å
625	D	57.8	Low	55.3	Low	89 Å²	89	55 Å²	55	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-72.6	-34.1	177.1	-71	-14.6	0	0	0	111.9	P621 Q622 K628 S629	P621-D625 WeakPolarHBondContact O-CB 3.07Å; P621-D625 VanDerWaalsContact O-CG 3.27Å; P621-D625 PolarHBondContact O-N 2.97Å; Q622-D625 PolarHBondContact O-N 3.34Å; D625-K628 PolarHBondContact O-N 3.33Å; D625-K628 IonicContact OD1-NZ 3.68Å; D625-K628 PolarHBondContact OD1-NZ 2.93Å; D625-S629 WeakPolarHBondContact O-CB 3.25Å; D625-S629 PolarHBondContact O-N 2.71Å
626	I	58.7	Low	55.1	Low	27 Å²	27	56.1 Å²	56.1	14%	0.138	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-53.3	167.2	-65.5	159.7	0	0	0	109.8	Q181 Q622 T623 K628 S629 F630 A654	Q181-I626 VanDerWaalsContact NE2-CD1 3.29Å; Q622-I626 WeakPolarHBondContact O-CD1 3.49Å; Q622-I626 VanDerWaalsContact O-CG1 3.22Å; Q622-I626 WeakPolarHBondContact O-CG1 3.14Å; Q622-I626 PolarHBondContact O-N 3.39Å; T623-I626 PolarHBondContact O-N 3.14Å; I626-K628 VanDerWaalsContact C-N 3.34Å; I626-K628 PolarHBondContact O-N 3.34Å; I626-S629 WeakPolarHBondContact O-CB 3.14Å; I626-S629 PolarHBondContact O-N 3.34Å; I626-S629 PolarHBondContact O-OG 3.23Å; I626-F630 HydrophobicContact CG2-CD2 4.34Å; I626-F630 HydrophobicContact CG2-CE2 3.52Å; I626-F630 HydrophobicContact CG2-CZ 4.21Å; I626-F630 WeakPolarHBondContact O-CD2 3.39Å; I626-A654 HydrophobicContact CB-CB 4.26Å; I626-A654 HydrophobicContact CG2-CB 3.73Å
627	L	54.7	Low	55.1	Low	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-43	178.2	-71.3	172.4	0	0	0	112.1	S310 L313 T314 T623 L624 S629 F630 A654 Y658	S310-L627 VanDerWaalsContact CB-O 3.31Å; S310-L627 WeakPolarHBondContact CB-O 3.27Å; L313-L627 HydrophobicContact CD1-CD2 4.49Å; T314-L627 HydrophobicContact CG2-CB 4.38Å; T623-L627 WeakPolarHBondContact O-CG 3.43Å; T623-L627 PolarHBondContact O-N 2.91Å; L624-L627 PolarHBondContact O-N 3.19Å; L627-S629 PolarHBondContact O-N 3.18Å; L627-F630 PolarHBondContact O-N 3.45Å; L627-A654 HydrophobicContact CD2-CB 3.82Å; L627-A654 HydrophobicContact CG-CB 3.85Å; L627-Y658 HydrophobicContact CD1-CG 4.25Å
628	K	55.2	Low	55.2	Low	81 Å²	81	56.8 Å²	56.8	35%	0.352	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-21.4	174.9	-73.7	169.4	-151.3	154.7	0	113.9	L624 D625 I626 F630 R631	L624-K628 VanDerWaalsContact O-CB 3.32Å; L624-K628 WeakPolarHBondContact O-CB 3.36Å; L624-K628 WeakPolarHBondContact O-CG 3.23Å; L624-K628 PolarHBondContact O-N 3.25Å; D625-K628 PolarHBondContact O-N 3.33Å; D625-K628 IonicContact OD1-NZ 3.68Å; D625-K628 PolarHBondContact OD1-NZ 2.93Å; I626-K628 VanDerWaalsContact C-N 3.34Å; I626-K628 PolarHBondContact O-N 3.34Å; K628-F630 VanDerWaalsContact C-N 3.35Å; K628-R631 VanDerWaalsContact O-CD 3.24Å; K628-R631 WeakPolarHBondContact O-CD 3.27Å; K628-R631 WeakPolarHBondContact O-CG 3.44Å; K628-R631 PolarHBondContact O-NE 2.95Å
629	S	60.7	Low	55.5	Low	83 Å²	83	58.8 Å²	58.8	58%	0.58	31%	0.309	S	S	*	.	H	α-helix	trans	-73.7	-30.3	177.5	75.6	0	0	0	0	111.7	D625 I626 L627 R631	D625-S629 WeakPolarHBondContact O-CB 3.25Å; D625-S629 PolarHBondContact O-N 2.71Å; I626-S629 WeakPolarHBondContact O-CB 3.14Å; I626-S629 PolarHBondContact O-N 3.34Å; I626-S629 PolarHBondContact O-OG 3.23Å; L627-S629 PolarHBondContact O-N 3.18Å; S629-R631 PolarHBondContact O-N 3.2Å
630	F	56.5	Low	55.1	Low	16 Å²	16	56.4 Å²	56.4	7%	0.07	30%	0.296	C	S	.	.			trans	-83.7	59.2	176	-53	-61.9	0	0	0	112.3	V306 A307 S310 I626 L627 K628 I647 N650 V651	V306-F630 HydrophobicContact CG1-CB 3.53Å; V306-F630 HydrophobicContact CG1-CG 4.12Å; A307-F630 WeakPolarHBondContact CA-O 3.2Å; S310-F630 PolarHBondContact OG-O 3.09Å; I626-F630 HydrophobicContact CG2-CD2 4.34Å; I626-F630 HydrophobicContact CG2-CE2 3.52Å; I626-F630 HydrophobicContact CG2-CZ 4.21Å; I626-F630 WeakPolarHBondContact O-CD2 3.39Å; L627-F630 PolarHBondContact O-N 3.45Å; K628-F630 VanDerWaalsContact C-N 3.35Å; F630-I647 HydrophobicContact CD1-CG2 3.79Å; F630-I647 HydrophobicContact CE1-CG2 3.62Å; F630-I647 HydrophobicContact CZ-CG2 4.48Å; F630-N650 HydrophobicContact CE2-CB 4.07Å; F630-N650 HydrophobicContact CZ-CB 3.69Å; F630-V651 HydrophobicContact CB-CG2 4.29Å; F630-V651 HydrophobicContact CD1-CG2 4.19Å; F630-V651 HydrophobicContact CD2-CB 4.47Å; F630-V651 HydrophobicContact CD2-CG2 3.35Å; F630-V651 HydrophobicContact CE1-CG2 4.38Å; F630-V651 HydrophobicContact CE2-CB 4.5Å; F630-V651 HydrophobicContact CE2-CG2 3.55Å; F630-V651 HydrophobicContact CG-CG2 3.69Å; F630-V651 HydrophobicContact CZ-CG2 4.09Å
631	R	54.1	Low	55.2	Low	152 Å²	152	61.4 Å²	61.4	57%	0.574	32%	0.319	S	S	*	.	S	Bend	trans	-88.4	-18.4	-176	-96.5	170.1	-169.5	-116.6	-3.7	115.8	A307 K628 S629	A307-R631 VanDerWaalsContact CB-C 3.43Å; A307-R631 WeakPolarHBondContact CB-O 3.31Å; K628-R631 VanDerWaalsContact O-CD 3.24Å; K628-R631 WeakPolarHBondContact O-CD 3.27Å; K628-R631 WeakPolarHBondContact O-CG 3.44Å; K628-R631 PolarHBondContact O-NE 2.95Å; S629-R631 PolarHBondContact O-N 3.2Å
632	E	51.6	Low	55.1	Low	182 Å²	182	63.3 Å²	63.3	85%	0.85	32%	0.321	S	S	*	.	S	Bend	trans	-140.8	8.1	-165.8	-63.4	-178.6	-176.5	0	0	113.9
633	E	56.9	Low	54.6	Low	82 Å²	82	65.3 Å²	65.3	38%	0.383	34%	0.338	S	S	.	.			trans	-97.6	96.8	-175.6	-68.2	-178.5	154.8	0	0	112.2	V306 I635 I647	V306-E633 VanDerWaalsContact CB-O 3.23Å; V306-E633 WeakPolarHBondContact CB-O 3.28Å; V306-E633 WeakPolarHBondContact CG2-O 3.32Å; V306-E633 PolarHBondContact N-O 3.37Å; E633-I635 PolarHBondContact O-N 3.18Å; E633-I647 WeakPolarHBondContact OE2-CG2 3.31Å
634	S	54.6	Low	54.3	Low	80 Å²	80	67.2 Å²	67.2	56%	0.559	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	107.4	159.8	68.9	0	0	0	0	109	I304 D636	I304-S634 CarbonylContact O-C 3.57Å; S634-D636 PolarHBondContact O-N 2.99Å
635	I	55.5	Low	54.2	Low	5 Å²	5	66.1 Å²	66.1	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.4	178.1	-68.3	-176.6	0	0	0	109.1	K303 I304 V306 E633 I637 L640 I647 L648	K303-I635 CarbonylContact C-O 3.53Å; K303-I635 WeakPolarHBondContact CA-O 3.41Å; I304-I635 PolarHBondContact N-O 3.24Å; I304-I635 PolarHBondContact O-N 3.43Å; V306-I635 HydrophobicContact CG2-CB 4.26Å; V306-I635 HydrophobicContact CG2-CD1 3.51Å; V306-I635 HydrophobicContact CG2-CG1 3.66Å; E633-I635 PolarHBondContact O-N 3.18Å; I635-I637 PolarHBondContact O-N 3.18Å; I635-L640 HydrophobicContact CG2-CD1 3.23Å; I635-I647 HydrophobicContact CD1-CB 4.05Å; I635-I647 HydrophobicContact CD1-CG2 3.74Å; I635-L648 HydrophobicContact CD1-CB 4.04Å
636	D	54	Low	54	Low	43 Å²	43	66.9 Å²	66.9	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.3	166.9	-174.6	-44	0	0	0	109.3	D302 K303 S634 N638 S639 L640	D302-D636 CarbonylContact O-C 3.59Å; K303-D636 WeakPolarHBondContact CE-OD2 3.38Å; K303-D636 HydrophobicContact CG-CB 4.26Å; K303-D636 IonicContact NZ-OD2 3.83Å; S634-D636 PolarHBondContact O-N 2.99Å; D636-N638 PolarHBondContact O-N 3.16Å; D636-N638 WeakPolarHBondContact OD1-CA 3.1Å; D636-N638 WeakPolarHBondContact OD1-CB 3.3Å; D636-N638 PolarHBondContact OD1-N 3.35Å; D636-S639 CarbonylContact O-C 3.59Å; D636-S639 PolarHBondContact O-N 3.45Å; D636-S639 VanDerWaalsContact O-N 3.15Å; D636-S639 PolarHBondContact O-OG 3.12Å; D636-S639 PolarHBondContact OD1-N 3.4Å; D636-S639 VanDerWaalsContact OD1-N 3.09Å; D636-L640 PolarHBondContact O-N 3.42Å; D636-L640 VanDerWaalsContact O-N 3.15Å
637	I	55.1	Low	53.8	Low	5 Å²	5	66.2 Å²	66.2	3%	0.026	34%	0.339	C	S	.	.	S	Bend	trans	-71.8	-25.1	-173.4	-45.3	173.3	0	0	0	110.4	I140 R141 P301 D302 I304 I635 L640	I140-I637 HydrophobicContact CB-CG2 4.39Å; I140-I637 HydrophobicContact CG2-CD1 3.97Å; I140-I637 HydrophobicContact CG2-CG1 4.4Å; I140-I637 HydrophobicContact CG2-CG2 3.66Å; R141-I637 HydrophobicContact CG-CB 4.27Å; R141-I637 HydrophobicContact CG-CG2 3.39Å; R141-I637 VanDerWaalsContact CZ-O 3.31Å; R141-I637 PolarHBondContact NE-O 3.45Å; R141-I637 PolarHBondContact NH2-O 3.3Å; P301-I637 WeakPolarHBondContact O-CD1 3.31Å; D302-I637 WeakPolarHBondContact O-CG1 3.47Å; D302-I637 PolarHBondContact O-N 2.98Å; I304-I637 HydrophobicContact CD1-CD1 3.98Å; I304-I637 HydrophobicContact CD1-CG1 4.16Å; I304-I637 HydrophobicContact CG1-CD1 3.67Å; I304-I637 HydrophobicContact CG1-CG1 3.93Å; I635-I637 PolarHBondContact O-N 3.18Å; I637-L640 WeakPolarHBondContact O-CB 2.96Å; I637-L640 PolarHBondContact O-N 2.81Å
638	N	53.6	Low	54	Low	83 Å²	83	66.5 Å²	66.5	44%	0.444	34%	0.34	S	S	.	.	S	Bend	trans	-77.3	-28.1	173.3	-66	-39.2	0	0	0	111.4	D302 D636 L640	D302-N638 WeakPolarHBondContact CB-ND2 3.32Å; D302-N638 PolarHBondContact OD1-ND2 2.84Å; D636-N638 PolarHBondContact O-N 3.16Å; D636-N638 WeakPolarHBondContact OD1-CA 3.1Å; D636-N638 WeakPolarHBondContact OD1-CB 3.3Å; D636-N638 PolarHBondContact OD1-N 3.35Å; N638-L640 VanDerWaalsContact C-N 3.32Å
639	S	55.4	Low	53.9	Low	57 Å²	57	63.5 Å²	63.5	40%	0.399	33%	0.328	S	S	.	.	S	Bend	trans	-82	-4.2	170.7	87.3	0	0	0	0	114.5	D636 H641	D636-S639 CarbonylContact O-C 3.59Å; D636-S639 PolarHBondContact O-N 3.45Å; D636-S639 VanDerWaalsContact O-N 3.15Å; D636-S639 PolarHBondContact O-OG 3.12Å; D636-S639 PolarHBondContact OD1-N 3.4Å; D636-S639 VanDerWaalsContact OD1-N 3.09Å; S639-H641 VanDerWaalsContact C-N 3.34Å; S639-H641 PolarHBondContact O-N 3.12Å; S639-H641 PolarHBondContact O-ND1 3.44Å
640	L	49.1	Very low	53.8	Low	11 Å²	11	60.4 Å²	60.4	6%	0.058	31%	0.305	C	S	.	.			trans	-66.8	83.2	-175.1	-150.2	76.5	0	0	0	113.4	M137 I635 D636 I637 N638 T644 L648	M137-L640 HydrophobicContact CE-CB 4.13Å; M137-L640 HydrophobicContact CE-CD2 3.74Å; M137-L640 HydrophobicContact CE-CG 3.89Å; M137-L640 WeakPolarHBondContact CE-O 2.95Å; M137-L640 HydrophobicContact SD-CB 4Å; M137-L640 HydrophobicContact SD-CD2 3.61Å; M137-L640 HydrophobicContact SD-CG 4.11Å; I635-L640 HydrophobicContact CG2-CD1 3.23Å; D636-L640 PolarHBondContact O-N 3.42Å; D636-L640 VanDerWaalsContact O-N 3.15Å; I637-L640 WeakPolarHBondContact O-CB 2.96Å; I637-L640 PolarHBondContact O-N 2.81Å; N638-L640 VanDerWaalsContact C-N 3.32Å; L640-T644 HydrophobicContact CD1-CG2 3.76Å; L640-L648 HydrophobicContact CD2-CD2 3.82Å
641	H	53.2	Low	53.9	Low	129 Å²	129	59.8 Å²	59.8	60%	0.597	30%	0.302	S	S	*	.			trans	-82.3	163.3	165.6	-64.8	72.7	0	0	0	109.4	S639 P643 T644 A645	S639-H641 VanDerWaalsContact C-N 3.34Å; S639-H641 PolarHBondContact O-N 3.12Å; S639-H641 PolarHBondContact O-ND1 3.44Å; H641-P643 VanDerWaalsContact C-N 3.3Å; H641-P643 HydrophobicContact CB-CG 4.18Å; H641-P643 VanDerWaalsContact O-N 3.11Å; H641-T644 PolarHBondContact O-N 3.09Å; H641-A645 PolarHBondContact O-N 3.31Å; H641-A645 VanDerWaalsContact O-N 3.13Å
642	Q	50.1	Low	54.1	Low	121 Å²	121	53 Å²	53	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-42.3	-43.4	175.5	-80.4	-173.9	-16.8	0	0	115.6	T644 A645	Q642-T644 PolarHBondContact O-N 3.29Å; Q642-A645 PolarHBondContact O-N 3.34Å
643	P	48.3	Very low	54.5	Low	95 Å²	95	45.6 Å²	45.6	62%	0.617	24%	0.242	S	C	*	.	H	α-helix	trans	-66.6	-10.8	177.5	26	-37.3	0	0	0	115.5	H641 Y646	H641-P643 VanDerWaalsContact C-N 3.3Å; H641-P643 HydrophobicContact CB-CG 4.18Å; H641-P643 VanDerWaalsContact O-N 3.11Å; P643-Y646 WeakPolarHBondContact O-CD1 3.48Å; P643-Y646 WeakPolarHBondContact O-CE1 3.35Å
644	T	52.1	Low	54.6	Low	40 Å²	40	41.8 Å²	41.8	25%	0.245	23%	0.225	C	C	.	.	H	α-helix	trans	-107	-22.4	174.5	-38.5	0	0	0	0	111.5	L640 H641 Q642 Y646 I647	L640-T644 HydrophobicContact CD1-CG2 3.76Å; H641-T644 PolarHBondContact O-N 3.09Å; Q642-T644 PolarHBondContact O-N 3.29Å; T644-Y646 PolarHBondContact O-N 3.02Å; T644-I647 HydrophobicContact CG2-CD1 4.08Å; T644-I647 WeakPolarHBondContact O-CB 3.48Å; T644-I647 PolarHBondContact O-N 3.39Å; T644-I647 VanDerWaalsContact O-N 3.08Å
645	A	52.1	Low	54.7	Low	7 Å²	7	38.4 Å²	38.4	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-37.2	176.4	0	0	0	0	0	112.3	M137 H641 Q642 I647 L648 H649	M137-A645 HydrophobicContact CE-CB 4.07Å; H641-A645 PolarHBondContact O-N 3.31Å; H641-A645 VanDerWaalsContact O-N 3.13Å; Q642-A645 PolarHBondContact O-N 3.34Å; A645-I647 PolarHBondContact O-N 3.36Å; A645-L648 PolarHBondContact O-N 3.01Å; A645-H649 VanDerWaalsContact C-CD2 3.46Å; A645-H649 PolarHBondContact O-CD2 3.47Å; A645-H649 PolarHBondContact O-N 3.23Å
646	Y	53.7	Low	54.7	Low	105 Å²	105	39.1 Å²	39.1	41%	0.412	21%	0.207	S	C	.	.	H	α-helix	trans	-58.1	-32.7	178.6	88.1	-101.2	0	0	0	113.2	P643 T644 N650	P643-Y646 WeakPolarHBondContact O-CD1 3.48Å; P643-Y646 WeakPolarHBondContact O-CE1 3.35Å; T644-Y646 PolarHBondContact O-N 3.02Å; Y646-N650 WeakPolarHBondContact O-CB 2.99Å; Y646-N650 PolarHBondContact O-N 2.96Å; Y646-N650 PolarHBondContact O-OD1 2.89Å
647	I	54.1	Low	54.8	Low	13 Å²	13	37.4 Å²	37.4	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-52.9	-179.8	-58.3	178.8	0	0	0	108.4	F630 E633 I635 T644 A645 H649 N650 V651	F630-I647 HydrophobicContact CD1-CG2 3.79Å; F630-I647 HydrophobicContact CE1-CG2 3.62Å; F630-I647 HydrophobicContact CZ-CG2 4.48Å; E633-I647 WeakPolarHBondContact OE2-CG2 3.31Å; I635-I647 HydrophobicContact CD1-CB 4.05Å; I635-I647 HydrophobicContact CD1-CG2 3.74Å; T644-I647 HydrophobicContact CG2-CD1 4.08Å; T644-I647 WeakPolarHBondContact O-CB 3.48Å; T644-I647 PolarHBondContact O-N 3.39Å; T644-I647 VanDerWaalsContact O-N 3.08Å; A645-I647 PolarHBondContact O-N 3.36Å; I647-H649 VanDerWaalsContact C-N 3.34Å; I647-H649 PolarHBondContact O-N 3.2Å; I647-N650 PolarHBondContact O-N 3.48Å; I647-V651 WeakPolarHBondContact O-CG2 2.99Å; I647-V651 PolarHBondContact O-N 2.93Å
648	L	57.3	Low	54.8	Low	6 Å²	6	38.1 Å²	38.1	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-45	176.5	-176.1	59.7	0	0	0	111.3	I140 I304 I635 L640 A645 V651 I652	I140-L648 HydrophobicContact CD1-CD2 3.62Å; I140-L648 HydrophobicContact CG1-CD2 4.41Å; I140-L648 HydrophobicContact CG2-CD2 4.31Å; I304-L648 HydrophobicContact CD1-CD1 3.86Å; I304-L648 HydrophobicContact CD1-CD2 4.11Å; I635-L648 HydrophobicContact CD1-CB 4.04Å; L640-L648 HydrophobicContact CD2-CD2 3.82Å; A645-L648 PolarHBondContact O-N 3.01Å; L648-V651 WeakPolarHBondContact O-CB 3.49Å; L648-V651 PolarHBondContact O-N 2.84Å; L648-I652 HydrophobicContact CD1-CD1 3.94Å; L648-I652 HydrophobicContact CD1-CG1 4.39Å; L648-I652 HydrophobicContact CG-CD1 3.74Å; L648-I652 WeakPolarHBondContact O-CD1 3.46Å; L648-I652 VanDerWaalsContact O-CG1 3.27Å; L648-I652 WeakPolarHBondContact O-CG1 3.47Å; L648-I652 PolarHBondContact O-N 2.95Å
649	H	54.7	Low	54.8	Low	19 Å²	19	36.3 Å²	36.3	9%	0.088	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-51.3	174.8	-70.8	-63.8	0	0	0	111.8	F178 A645 I647 V651 I652 E653	F178-H649 HydrophobicContact CD1-CB 3.65Å; F178-H649 AromaticContact CD1-CG 3.95Å; F178-H649 AromaticContact CD1-ND1 3.46Å; F178-H649 WeakPolarHBondContact CD1-ND1 3.17Å; F178-H649 WeakPolarHBondContact CD1-O 3.34Å; F178-H649 AromaticContact CD2-ND1 3.9Å; F178-H649 HydrophobicContact CE1-CB 4.03Å; F178-H649 AromaticContact CE1-CG 3.94Å; F178-H649 AromaticContact CE1-ND1 3.1Å; F178-H649 WeakPolarHBondContact CE1-ND1 3.46Å; F178-H649 AromaticContact CE2-ND1 3.55Å; F178-H649 HydrophobicContact CG-CB 4.19Å; F178-H649 AromaticContact CG-ND1 3.84Å; F178-H649 AromaticContact CZ-CE1 3.79Å; F178-H649 AromaticContact CZ-ND1 3.15Å; F178-H649 WeakPolarHBondContact CZ-ND1 3.04Å; A645-H649 VanDerWaalsContact C-CD2 3.46Å; A645-H649 PolarHBondContact O-CD2 3.47Å; A645-H649 PolarHBondContact O-N 3.23Å; I647-H649 VanDerWaalsContact C-N 3.34Å; I647-H649 PolarHBondContact O-N 3.2Å; H649-V651 VanDerWaalsContact C-N 3.28Å; H649-V651 PolarHBondContact O-N 2.77Å; H649-I652 PolarHBondContact O-N 3.4Å; H649-E653 WeakPolarHBondContact O-CB 3.25Å; H649-E653 PolarHBondContact O-N 3.19Å
650	N	57.6	Low	54.5	Low	18 Å²	18	34.5 Å²	34.5	10%	0.096	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-37	178.8	-73.3	-8.1	0	0	0	112.9	T180 F630 Y646 I647 A654	T180-N650 PolarHBondContact OG1-ND2 3.05Å; T180-N650 PolarHBondContact OG1-OD1 2.92Å; F630-N650 HydrophobicContact CE2-CB 4.07Å; F630-N650 HydrophobicContact CZ-CB 3.69Å; Y646-N650 WeakPolarHBondContact O-CB 2.99Å; Y646-N650 PolarHBondContact O-N 2.96Å; Y646-N650 PolarHBondContact O-OD1 2.89Å; I647-N650 PolarHBondContact O-N 3.48Å; N650-A654 WeakPolarHBondContact O-CB 3.49Å; N650-A654 PolarHBondContact O-N 2.9Å
651	V	58.2	Low	54.7	Low	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-48	176.3	170.2	0	0	0	0	111.1	V306 F309 F630 I647 L648 H649 A654 T655	V306-V651 HydrophobicContact CG1-CB 4.2Å; V306-V651 HydrophobicContact CG1-CG1 3.9Å; V306-V651 HydrophobicContact CG1-CG2 3.26Å; F309-V651 HydrophobicContact CD1-CG1 3.51Å; F309-V651 HydrophobicContact CE1-CG1 3.73Å; F630-V651 HydrophobicContact CB-CG2 4.29Å; F630-V651 HydrophobicContact CD1-CG2 4.19Å; F630-V651 HydrophobicContact CD2-CB 4.47Å; F630-V651 HydrophobicContact CD2-CG2 3.35Å; F630-V651 HydrophobicContact CE1-CG2 4.38Å; F630-V651 HydrophobicContact CE2-CB 4.5Å; F630-V651 HydrophobicContact CE2-CG2 3.55Å; F630-V651 HydrophobicContact CG-CG2 3.69Å; F630-V651 HydrophobicContact CZ-CG2 4.09Å; I647-V651 WeakPolarHBondContact O-CG2 2.99Å; I647-V651 PolarHBondContact O-N 2.93Å; L648-V651 WeakPolarHBondContact O-CB 3.49Å; L648-V651 PolarHBondContact O-N 2.84Å; H649-V651 VanDerWaalsContact C-N 3.28Å; H649-V651 PolarHBondContact O-N 2.77Å; V651-A654 PolarHBondContact O-N 3.42Å; V651-T655 VanDerWaalsContact O-CB 3.28Å; V651-T655 WeakPolarHBondContact O-CB 3.41Å; V651-T655 PolarHBondContact O-N 2.94Å; V651-T655 PolarHBondContact O-OG1 3.08Å
652	I	59	Low	54.6	Low	9 Å²	9	29.2 Å²	29.2	5%	0.046	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-43.6	-179.8	-66.3	153.4	0	0	0	110.2	W146 L147 L150 F178 L648 H649 T655 A656	W146-I652 HydrophobicContact CH2-CD1 4.41Å; W146-I652 HydrophobicContact CH2-CG1 4.13Å; W146-I652 HydrophobicContact CZ3-CD1 3.85Å; W146-I652 HydrophobicContact CZ3-CG1 3.96Å; L147-I652 HydrophobicContact CD1-CG2 4.09Å; L150-I652 HydrophobicContact CD2-CD1 3.38Å; L150-I652 HydrophobicContact CD2-CG1 4.37Å; L150-I652 HydrophobicContact CD2-CG2 4.23Å; F178-I652 HydrophobicContact CD1-CB 4.39Å; F178-I652 HydrophobicContact CD1-CG2 4.41Å; F178-I652 HydrophobicContact CE1-CB 3.93Å; F178-I652 HydrophobicContact CE1-CD1 4.05Å; F178-I652 HydrophobicContact CE1-CG2 3.81Å; L648-I652 HydrophobicContact CD1-CD1 3.94Å; L648-I652 HydrophobicContact CD1-CG1 4.39Å; L648-I652 HydrophobicContact CG-CD1 3.74Å; L648-I652 WeakPolarHBondContact O-CD1 3.46Å; L648-I652 VanDerWaalsContact O-CG1 3.27Å; L648-I652 WeakPolarHBondContact O-CG1 3.47Å; L648-I652 PolarHBondContact O-N 2.95Å; H649-I652 PolarHBondContact O-N 3.4Å; I652-T655 PolarHBondContact O-N 3.25Å; I652-A656 WeakPolarHBondContact O-CB 3.3Å; I652-A656 PolarHBondContact O-N 3.24Å
653	E	59.2	Low	54.5	Low	28 Å²	28	25.8 Å²	25.8	13%	0.131	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-49.7	177.1	-163.1	-168.3	-172	0	0	110.9	F178 H649 T655 A656 R657	F178-E653 HydrophobicContact CB-CB 4.2Å; F178-E653 HydrophobicContact CB-CG 4.26Å; F178-E653 HydrophobicContact CD1-CB 4.38Å; H649-E653 WeakPolarHBondContact O-CB 3.25Å; H649-E653 PolarHBondContact O-N 3.19Å; E653-T655 VanDerWaalsContact C-N 3.27Å; E653-T655 PolarHBondContact O-N 3.44Å; E653-A656 PolarHBondContact O-N 3.21Å; E653-R657 WeakPolarHBondContact O-CB 3.45Å; E653-R657 VanDerWaalsContact O-CG 3.27Å; E653-R657 WeakPolarHBondContact O-CG 3.14Å; E653-R657 PolarHBondContact O-N 3.01Å; E653-R657 IonicContact OE1-CZ 2.95Å; E653-R657 IonicContact OE1-NE 3.66Å; E653-R657 PolarHBondContact OE1-NE 3.46Å; E653-R657 IonicContact OE1-NH2 3.93Å; E653-R657 PolarHBondContact OE1-NH2 3.45Å; E653-R657 IonicContact OE2-CZ 2.74Å; E653-R657 IonicContact OE2-NE 3.46Å; E653-R657 IonicContact OE2-NH2 2.64Å; E653-R657 PolarHBondContact OE2-NH2 2.9Å
654	A	59.1	Low	54.5	Low	1 Å²	1	21.8 Å²	21.8	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-32.5	177.8	0	0	0	0	0	112.2	T623 I626 L627 N650 V651 Y658	T623-A654 HydrophobicContact CG2-CB 4.13Å; T623-A654 WeakPolarHBondContact CG2-O 3.47Å; I626-A654 HydrophobicContact CB-CB 4.26Å; I626-A654 HydrophobicContact CG2-CB 3.73Å; L627-A654 HydrophobicContact CD2-CB 3.82Å; L627-A654 HydrophobicContact CG-CB 3.85Å; N650-A654 WeakPolarHBondContact O-CB 3.49Å; N650-A654 PolarHBondContact O-N 2.9Å; V651-A654 PolarHBondContact O-N 3.42Å; A654-Y658 WeakPolarHBondContact O-CB 3.47Å; A654-Y658 PolarHBondContact O-N 3.49Å
655	T	57.1	Low	54.4	Low	10 Å²	10	22.6 Å²	22.6	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-69	-42.5	173.2	-60.6	0	0	0	0	112	F309 L313 V651 I652 E653 Y658 T659	F309-T655 HydrophobicContact CE1-CG2 3.96Å; F309-T655 WeakPolarHBondContact CE1-OG1 3.13Å; F309-T655 HydrophobicContact CZ-CG2 3.72Å; L313-T655 HydrophobicContact CD1-CG2 3.49Å; L313-T655 VanDerWaalsContact CD1-CG2 3.49Å; L313-T655 WeakPolarHBondContact CD1-OG1 3.41Å; L313-T655 HydrophobicContact CD2-CG2 3.83Å; L313-T655 HydrophobicContact CG-CG2 4.32Å; V651-T655 VanDerWaalsContact O-CB 3.28Å; V651-T655 WeakPolarHBondContact O-CB 3.41Å; V651-T655 PolarHBondContact O-N 2.94Å; V651-T655 PolarHBondContact O-OG1 3.08Å; I652-T655 PolarHBondContact O-N 3.25Å; E653-T655 VanDerWaalsContact C-N 3.27Å; E653-T655 PolarHBondContact O-N 3.44Å; T655-Y658 PolarHBondContact O-N 2.97Å; T655-T659 WeakPolarHBondContact O-CB 3.44Å; T655-T659 PolarHBondContact O-N 3.49Å; T655-T659 PolarHBondContact O-OG1 2.86Å
656	A	55.5	Low	54.2	Low	19 Å²	19	27.5 Å²	27.5	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-44.7	176	0	0	0	0	0	111	L599 I652 E653 Y658 T659 V660	L599-A656 HydrophobicContact CD1-CB 3.98Å; L599-A656 HydrophobicContact CD2-CB 4.09Å; L599-A656 HydrophobicContact CG-CB 4.43Å; I652-A656 WeakPolarHBondContact O-CB 3.3Å; I652-A656 PolarHBondContact O-N 3.24Å; E653-A656 PolarHBondContact O-N 3.21Å; A656-Y658 PolarHBondContact O-N 3.16Å; A656-T659 PolarHBondContact O-N 2.85Å; A656-V660 VanDerWaalsContact O-CG2 3.32Å; A656-V660 WeakPolarHBondContact O-CG2 3.5Å; A656-V660 PolarHBondContact O-N 3Å
657	R	56.3	Low	53.7	Low	8 Å²	8	29.6 Å²	29.6	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-44.2	172.2	-69.7	174.4	-174.2	-172.3	16.2	111.7	M617 F618 T623 E653 V660 N661	M617-R657 WeakPolarHBondContact O-CD 3.39Å; M617-R657 VanDerWaalsContact O-CZ 3.23Å; M617-R657 PolarHBondContact O-NE 2.93Å; M617-R657 PolarHBondContact O-NH1 3.35Å; F618-R657 HydrophobicContact CD1-CG 4.41Å; F618-R657 HydrophobicContact CE1-CG 4.48Å; T623-R657 HydrophobicContact CG2-CB 3.67Å; E653-R657 WeakPolarHBondContact O-CB 3.45Å; E653-R657 VanDerWaalsContact O-CG 3.27Å; E653-R657 WeakPolarHBondContact O-CG 3.14Å; E653-R657 PolarHBondContact O-N 3.01Å; E653-R657 IonicContact OE1-CZ 2.95Å; E653-R657 IonicContact OE1-NE 3.66Å; E653-R657 PolarHBondContact OE1-NE 3.46Å; E653-R657 IonicContact OE1-NH2 3.93Å; E653-R657 PolarHBondContact OE1-NH2 3.45Å; E653-R657 IonicContact OE2-CZ 2.74Å; E653-R657 IonicContact OE2-NE 3.46Å; E653-R657 IonicContact OE2-NH2 2.64Å; E653-R657 PolarHBondContact OE2-NH2 2.9Å; R657-V660 PolarHBondContact O-N 3.16Å; R657-N661 WeakPolarHBondContact O-CB 3.47Å; R657-N661 PolarHBondContact O-N 3.42Å
658	Y	55.7	Low	53	Low	20 Å²	20	29.7 Å²	29.7	8%	0.078	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-46.4	176.5	173.3	-98.5	0	0	0	111.5	L313 V317 L620 L624 L627 A654 T655 A656 V660 N661 A662	L313-Y658 HydrophobicContact CD2-CD1 4.09Å; L313-Y658 HydrophobicContact CD2-CE1 4.48Å; V317-Y658 HydrophobicContact CG1-CE2 4.18Å; V317-Y658 HydrophobicContact CG2-CE1 4.23Å; V317-Y658 HydrophobicContact CG2-CE2 3.77Å; V317-Y658 VanDerWaalsContact CG2-CZ 3.45Å; V317-Y658 WeakPolarHBondContact CG2-OH 3.11Å; L620-Y658 HydrophobicContact CD1-CD2 3.66Å; L620-Y658 HydrophobicContact CD1-CE2 4.04Å; L624-Y658 HydrophobicContact CD2-CD2 3.66Å; L624-Y658 HydrophobicContact CD2-CE2 3.9Å; L624-Y658 HydrophobicContact CG-CD2 4.34Å; L627-Y658 HydrophobicContact CD1-CG 4.25Å; A654-Y658 WeakPolarHBondContact O-CB 3.47Å; A654-Y658 PolarHBondContact O-N 3.49Å; T655-Y658 PolarHBondContact O-N 2.97Å; A656-Y658 PolarHBondContact O-N 3.16Å; Y658-V660 VanDerWaalsContact C-N 3.27Å; Y658-V660 PolarHBondContact O-N 3.36Å; Y658-N661 PolarHBondContact O-N 3Å; Y658-A662 HydrophobicContact CE1-CB 4.04Å; Y658-A662 HydrophobicContact CE2-CB 4.1Å; Y658-A662 WeakPolarHBondContact O-CB 3.44Å; Y658-A662 PolarHBondContact O-N 3.42Å; Y658-A662 WeakPolarHBondContact OH-CB 3.38Å
659	T	52.1	Low	52.2	Low	45 Å²	45	33.8 Å²	33.8	28%	0.276	17%	0.17	S	C	.	.	H	α-helix	trans	-57.6	-42.7	177.9	-56.8	0	0	0	0	110.8	T655 A656 V663	T655-T659 WeakPolarHBondContact O-CB 3.44Å; T655-T659 PolarHBondContact O-N 3.49Å; T655-T659 PolarHBondContact O-OG1 2.86Å; A656-T659 PolarHBondContact O-N 2.85Å; T659-V663 VanDerWaalsContact O-CB 3.29Å; T659-V663 WeakPolarHBondContact O-CB 3.46Å; T659-V663 WeakPolarHBondContact O-CG2 3.33Å; T659-V663 PolarHBondContact O-N 3.48Å; T659-V663 VanDerWaalsContact O-N 3.14Å
660	V	50.8	Low	51.6	Low	18 Å²	18	37.1 Å²	37.1	11%	0.109	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-52.8	175.4	170.8	0	0	0	0	110.8	I596 A656 R657 Y658 A662 V663 L664	I596-V660 HydrophobicContact CB-CG2 4.31Å; I596-V660 HydrophobicContact CD1-CB 4.3Å; I596-V660 HydrophobicContact CD1-CG1 3.93Å; I596-V660 HydrophobicContact CD1-CG2 3.7Å; I596-V660 HydrophobicContact CG1-CB 4.46Å; I596-V660 HydrophobicContact CG1-CG1 3.91Å; I596-V660 HydrophobicContact CG1-CG2 3.71Å; I596-V660 HydrophobicContact CG2-CG2 3.6Å; A656-V660 VanDerWaalsContact O-CG2 3.32Å; A656-V660 WeakPolarHBondContact O-CG2 3.5Å; A656-V660 PolarHBondContact O-N 3Å; R657-V660 PolarHBondContact O-N 3.16Å; Y658-V660 VanDerWaalsContact C-N 3.27Å; Y658-V660 PolarHBondContact O-N 3.36Å; V660-A662 PolarHBondContact O-N 3.01Å; V660-V663 PolarHBondContact O-N 3.4Å; V660-L664 HydrophobicContact CG1-CD1 3.63Å; V660-L664 HydrophobicContact CG1-CG 4.05Å; V660-L664 VanDerWaalsContact O-CB 3.32Å; V660-L664 WeakPolarHBondContact O-CB 3.21Å; V660-L664 VanDerWaalsContact O-CG 3.26Å; V660-L664 WeakPolarHBondContact O-CG 3.32Å; V660-L664 PolarHBondContact O-N 3.33Å
661	N	51.7	Low	50.9	Low	8 Å²	8	41.2 Å²	41.2	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-40.4	-178.2	-79.4	-20.7	0	0	0	113	F618 L620 R657 Y658 L664 E665	F618-N661 PolarHBondContact O-ND2 3.39Å; L620-N661 HydrophobicContact CB-CB 4.16Å; L620-N661 HydrophobicContact CD1-CB 3.84Å; L620-N661 HydrophobicContact CD2-CB 4.41Å; L620-N661 HydrophobicContact CG-CB 4.34Å; R657-N661 WeakPolarHBondContact O-CB 3.47Å; R657-N661 PolarHBondContact O-N 3.42Å; Y658-N661 PolarHBondContact O-N 3Å; N661-L664 PolarHBondContact O-N 2.92Å; N661-E665 WeakPolarHBondContact O-CB 3.42Å; N661-E665 WeakPolarHBondContact O-CG 3.45Å; N661-E665 PolarHBondContact O-N 3.05Å
662	A	52	Low	50.1	Low	22 Å²	22	46.5 Å²	46.5	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-40.4	176.6	0	0	0	0	0	112.4	Y658 V660 E666	Y658-A662 HydrophobicContact CE1-CB 4.04Å; Y658-A662 HydrophobicContact CE2-CB 4.1Å; Y658-A662 WeakPolarHBondContact O-CB 3.44Å; Y658-A662 PolarHBondContact O-N 3.42Å; Y658-A662 WeakPolarHBondContact OH-CB 3.38Å; V660-A662 PolarHBondContact O-N 3.01Å; A662-E666 PolarHBondContact O-N 3.37Å
663	V	47.9	Very low	49	Very low	49 Å²	49	54.4 Å²	54.4	30%	0.297	28%	0.278	S	S	.	.	H	α-helix	trans	-73.9	-32	177.6	171.2	0	0	0	0	111.9	Y576 T659 V660 R667	Y576-V663 HydrophobicContact CD1-CG1 3.87Å; Y576-V663 HydrophobicContact CE1-CG1 3.19Å; T659-V663 VanDerWaalsContact O-CB 3.29Å; T659-V663 WeakPolarHBondContact O-CB 3.46Å; T659-V663 WeakPolarHBondContact O-CG2 3.33Å; T659-V663 PolarHBondContact O-N 3.48Å; T659-V663 VanDerWaalsContact O-N 3.14Å; V660-V663 PolarHBondContact O-N 3.4Å; V663-R667 PolarHBondContact O-N 2.99Å; V663-R667 VanDerWaalsContact O-N 3.16Å
664	L	47.5	Very low	47.9	Very low	10 Å²	10	60.2 Å²	60.2	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-73	-38.2	172.4	-72	-176.8	0	0	0	111.7	Y576 V594 V660 N661 L668	Y576-L664 HydrophobicContact CD2-CD2 3.96Å; Y576-L664 HydrophobicContact CE2-CD2 4.18Å; Y576-L664 HydrophobicContact CG-CD2 4.31Å; V594-L664 HydrophobicContact CB-CD1 4.22Å; V594-L664 HydrophobicContact CG1-CD1 4.21Å; V594-L664 HydrophobicContact CG1-CD2 4.06Å; V594-L664 HydrophobicContact CG2-CD1 3.91Å; V594-L664 HydrophobicContact CG2-CD2 4.01Å; V660-L664 HydrophobicContact CG1-CD1 3.63Å; V660-L664 HydrophobicContact CG1-CG 4.05Å; V660-L664 VanDerWaalsContact O-CB 3.32Å; V660-L664 WeakPolarHBondContact O-CB 3.21Å; V660-L664 VanDerWaalsContact O-CG 3.26Å; V660-L664 WeakPolarHBondContact O-CG 3.32Å; V660-L664 PolarHBondContact O-N 3.33Å; N661-L664 PolarHBondContact O-N 2.92Å; L664-L668 HydrophobicContact CB-CD1 4.07Å; L664-L668 HydrophobicContact CB-CG 4.37Å; L664-L668 HydrophobicContact CD2-CD1 3.94Å; L664-L668 HydrophobicContact CD2-CG 4.06Å; L664-L668 HydrophobicContact CG-CD1 4.4Å; L664-L668 WeakPolarHBondContact O-CA 3.49Å; L664-L668 WeakPolarHBondContact O-CB 3.32Å; L664-L668 WeakPolarHBondContact O-CG 3.47Å; L664-L668 PolarHBondContact O-N 3.15Å
665	E	51	Low	46.7	Very low	58 Å²	58	68 Å²	68	27%	0.271	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-52.6	170.9	-79.1	-170.4	-177.6	0	0	110.4	L620 N661 R667 L669	L620-E665 VanDerWaalsContact CD2-OE1 3.24Å; L620-E665 WeakPolarHBondContact CD2-OE1 3.05Å; N661-E665 WeakPolarHBondContact O-CB 3.42Å; N661-E665 WeakPolarHBondContact O-CG 3.45Å; N661-E665 PolarHBondContact O-N 3.05Å; E665-R667 VanDerWaalsContact C-N 3.27Å; E665-R667 PolarHBondContact O-N 2.65Å; E665-R667 VanDerWaalsContact O-N 3.17Å; E665-L669 HydrophobicContact CB-CD1 3.85Å; E665-L669 HydrophobicContact CG-CD1 4.03Å; E665-L669 VanDerWaalsContact O-CB 3.27Å; E665-L669 WeakPolarHBondContact O-CB 3.45Å; E665-L669 WeakPolarHBondContact O-CD1 3.32Å; E665-L669 PolarHBondContact O-N 3.29Å
666	E	47.4	Very low	45.3	Very low	110 Å²	110	70.8 Å²	70.8	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-57.8	-34.2	-179.9	-81.1	-173.4	179.3	0	0	113.7	K320 A662	K320-E666 IonicContact NZ-OE1 3Å; K320-E666 PolarHBondContact NZ-OE1 3.26Å; K320-E666 IonicContact NZ-OE2 2.73Å; A662-E666 PolarHBondContact O-N 3.37Å
667	R	43.5	Very low	44.7	Very low	149 Å²	149	75.1 Å²	75.1	56%	0.562	40%	0.402	S	S	*	.	H	α-helix	trans	-100	-44.4	-178.4	-72.2	-127	-168.7	117.4	-6.7	115.4	Y576 V663 E665 S670 T671	Y576-R667 WeakPolarHBondContact OH-CB 3.29Å; Y576-R667 WeakPolarHBondContact OH-CD 3.42Å; Y576-R667 WeakPolarHBondContact OH-CG 3.42Å; Y576-R667 PolarHBondContact OH-NH1 3.17Å; V663-R667 PolarHBondContact O-N 2.99Å; V663-R667 VanDerWaalsContact O-N 3.16Å; E665-R667 VanDerWaalsContact C-N 3.27Å; E665-R667 PolarHBondContact O-N 2.65Å; E665-R667 VanDerWaalsContact O-N 3.17Å; R667-S670 PolarHBondContact O-N 3.36Å; R667-S670 PolarHBondContact O-OG 3.34Å; R667-T671 PolarHBondContact O-N 3.1Å; R667-T671 PolarHBondContact O-OG1 3.04Å; R667-T671 VanDerWaalsContact O-OG1 3.09Å
668	L	40.1	Very low	43.6	Very low	15 Å²	15	88 Å²	88	8%	0.079	46%	0.458	C	S	.	.	H	α-helix	trans	-66.1	-48.7	-179.3	-64.1	-179.5	0	0	0	110.6	K592 L664 S670 T671 W672	K592-L668 HydrophobicContact CD-CD1 4.4Å; K592-L668 HydrophobicContact CD-CD2 4.19Å; L664-L668 HydrophobicContact CB-CD1 4.07Å; L664-L668 HydrophobicContact CB-CG 4.37Å; L664-L668 HydrophobicContact CD2-CD1 3.94Å; L664-L668 HydrophobicContact CD2-CG 4.06Å; L664-L668 HydrophobicContact CG-CD1 4.4Å; L664-L668 WeakPolarHBondContact O-CA 3.49Å; L664-L668 WeakPolarHBondContact O-CB 3.32Å; L664-L668 WeakPolarHBondContact O-CG 3.47Å; L664-L668 PolarHBondContact O-N 3.15Å; L668-S670 PolarHBondContact O-N 3.45Å; L668-T671 CarbonylContact O-C 3.55Å; L668-T671 PolarHBondContact O-N 3Å; L668-T671 PolarHBondContact O-OG1 3.21Å; L668-W672 HydrophobicContact CB-CZ2 4.02Å; L668-W672 VanDerWaalsContact O-CG 3.27Å; L668-W672 PolarHBondContact O-N 2.91Å
669	L	39.8	Very low	43	Very low	91 Å²	91	91.4 Å²	91.4	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-55.8	-36	175.7	-77.2	151.1	0	0	0	112.2	E665 T671 W672	E665-L669 HydrophobicContact CB-CD1 3.85Å; E665-L669 HydrophobicContact CG-CD1 4.03Å; E665-L669 VanDerWaalsContact O-CB 3.27Å; E665-L669 WeakPolarHBondContact O-CB 3.45Å; E665-L669 WeakPolarHBondContact O-CD1 3.32Å; E665-L669 PolarHBondContact O-N 3.29Å; L669-T671 PolarHBondContact O-N 3.04Å; L669-W672 HydrophobicContact CB-CE3 4.42Å; L669-W672 HydrophobicContact CD2-CD2 4.46Å; L669-W672 HydrophobicContact CD2-CE3 3.44Å; L669-W672 VanDerWaalsContact CD2-CE3 3.44Å; L669-W672 HydrophobicContact CD2-CH2 4.18Å; L669-W672 HydrophobicContact CD2-CZ3 3.27Å; L669-W672 HydrophobicContact CG-CE3 3.88Å; L669-W672 HydrophobicContact CG-CH2 4.12Å; L669-W672 HydrophobicContact CG-CZ3 3.66Å; L669-W672 PolarHBondContact O-N 2.94Å
670	S	42.3	Very low	42.5	Very low	89 Å²	89	93.8 Å²	93.8	62%	0.622	49%	0.488	S	S	*	.	H	α-helix	trans	-70.3	-16.7	178.1	77	0	0	0	0	114.8	R667 L668	R667-S670 PolarHBondContact O-N 3.36Å; R667-S670 PolarHBondContact O-OG 3.34Å; L668-S670 PolarHBondContact O-N 3.45Å
671	T	41.7	Very low	42	Very low	105 Å²	105	98 Å²	98	64%	0.644	51%	0.509	S	S	*	.	H	α-helix	trans	-117.6	8.2	179.6	54.4	0	0	0	0	112.6	R667 L668 L669 E673	R667-T671 PolarHBondContact O-N 3.1Å; R667-T671 PolarHBondContact O-OG1 3.04Å; R667-T671 VanDerWaalsContact O-OG1 3.09Å; L668-T671 CarbonylContact O-C 3.55Å; L668-T671 PolarHBondContact O-N 3Å; L668-T671 PolarHBondContact O-OG1 3.21Å; L669-T671 PolarHBondContact O-N 3.04Å; T671-E673 PolarHBondContact O-N 3.39Å; T671-E673 VanDerWaalsContact O-N 3.12Å
672	W	41.9	Very low	41.5	Very low	112 Å²	112	103.3 Å²	103.3	42%	0.424	54%	0.536	S	S	.	.			trans	-77.5	92.6	169.1	-71.9	-11.4	0	0	0	108.9	Y605 L668 L669	Y605-W672 HydrophobicContact CE1-CH2 4.12Å; Y605-W672 HydrophobicContact CE1-CZ2 4.28Å; L668-W672 HydrophobicContact CB-CZ2 4.02Å; L668-W672 VanDerWaalsContact O-CG 3.27Å; L668-W672 PolarHBondContact O-N 2.91Å; L669-W672 HydrophobicContact CB-CE3 4.42Å; L669-W672 HydrophobicContact CD2-CD2 4.46Å; L669-W672 HydrophobicContact CD2-CE3 3.44Å; L669-W672 VanDerWaalsContact CD2-CE3 3.44Å; L669-W672 HydrophobicContact CD2-CH2 4.18Å; L669-W672 HydrophobicContact CD2-CZ3 3.27Å; L669-W672 HydrophobicContact CG-CE3 3.88Å; L669-W672 HydrophobicContact CG-CH2 4.12Å; L669-W672 HydrophobicContact CG-CZ3 3.66Å; L669-W672 PolarHBondContact O-N 2.94Å
673	E	36.8	Very low	40.8	Very low	175 Å²	175	108.4 Å²	108.4	82%	0.818	56%	0.559	S	S	*	*			trans	-63.6	130.2	142.7	-72.2	-175.6	138	0	0	107.1	T671 D675	T671-E673 PolarHBondContact O-N 3.39Å; T671-E673 VanDerWaalsContact O-N 3.12Å; E673-D675 PolarHBondContact O-N 2.87Å
674	D	36.6	Very low	40.3	Very low	151 Å²	151	112.3 Å²	112.3	81%	0.807	58%	0.576	S	S	*	*			trans	-67.3	84.1	174.5	-76.7	-52.3	0	0	0	109.3	A676	D674-A676 PolarHBondContact O-N 3.09Å
675	D	31.9	Very low	39.8	Very low	165 Å²	165	119.6 Å²	119.6	88%	0.882	61%	0.613	S	S	*	*			trans	-70.2	72.9	161	-87.9	-23.6	0	0	0	108.9	E673	E673-D675 PolarHBondContact O-N 2.87Å
676	A	28.6	Very low	38.9	Very low	67 Å²	67	124.4 Å²	124.4	55%	0.554	64%	0.64	S	S	*	*			trans	-72.7	171.7	172.3	0	0	0	0	0	110	D674	D674-A676 PolarHBondContact O-N 3.09Å
677	P	43.5	Very low	38.2	Very low	110 Å²	110	125.6 Å²	125.6	71%	0.714	65%	0.65	S	S	*	*				-97.3	144.7	-110.7	36.2	-34.5	0	0	0	113.9
678	F	32	Very low	37.7	Very low	278 Å²	278	123.5 Å²	123.5	100%	1.219	66%	0.658	S	S	*	*			trans	-135.6	0	159.4	-71.4	-76.6	0	0	0	109.9

Retrieved 678 of 678 residues in 235.3 ms (Link to these results)

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