A0A3Q0KCT4_SCHMA Loading...

Homeobox protein vsx-1-related

AlphaFold DB , UniProt , Accession A0A3Q0KCT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 696 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	23.4	Very low	28.2	Very low	240 Å²	240	154.9 Å²	154.9	100%	1.182	80%	0.803	S	S	*	*				0	-27.4	0	-76.2	-176	175	0	0	114	H3	M1-H3 PolarHBondContact O-N 3.2Å
2	I	26	Very low	28.4	Very low	171 Å²	171	147.8 Å²	147.8	88%	0.877	77%	0.771	S	S	*	*			trans	-99.3	83.9	179.9	-51.7	175.7	0	0	0	110
3	H	26.9	Very low	28.5	Very low	190 Å²	190	143.8 Å²	143.8	88%	0.88	75%	0.752	S	S	*	*	S	Bend	trans	-156.1	17.8	176.9	-137.3	-75.7	0	0	0	115	M1	M1-H3 PolarHBondContact O-N 3.2Å
4	Q	31.2	Very low	28.8	Very low	179 Å²	179	138.3 Å²	138.3	84%	0.836	73%	0.731	S	S	*	*			trans	-141.2	16.4	-159.7	-147.4	170.4	10.5	0	0	115.2
5	Y	27.3	Very low	28.9	Very low	201 Å²	201	134.5 Å²	134.5	79%	0.788	71%	0.711	S	S	*	*			trans	-103.9	93.1	170.9	-96	-98.7	0	0	0	110.5
6	D	27.6	Very low	29	Very low	121 Å²	121	128.6 Å²	128.6	65%	0.647	68%	0.683	S	S	*	*			trans	-69.5	157.1	177.5	-168.9	12.6	0	0	0	112.1	T8	D6-T8 PolarHBondContact O-N 3.17Å
7	S	30.4	Very low	29.1	Very low	124 Å²	124	128.9 Å²	128.9	87%	0.867	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	22.1	-164.2	-60	0	0	0	0	115
8	T	30.2	Very low	29.3	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	-7.7	-167.5	50	0	0	0	0	114.3	D6	D6-T8 PolarHBondContact O-N 3.17Å
9	K	29.8	Very low	29.4	Very low	152 Å²	152	131.5 Å²	131.5	66%	0.661	68%	0.679	S	S	*	*	S	Bend	trans	-98.3	128.4	178.5	-71.5	-177.8	178.7	175.5	0	112.3	V11	K9-V11 PolarHBondContact O-N 3.16Å
10	S	28	Very low	29.5	Very low	113 Å²	113	128 Å²	128	79%	0.79	66%	0.661	S	S	*	*			trans	-69.7	94.2	173.3	38.2	0	0	0	0	111.1	T12	S10-T12 PolarHBondContact O-N 3.06Å
11	V	29.8	Very low	29.6	Very low	98 Å²	98	125.8 Å²	125.8	59%	0.594	65%	0.654	S	S	*	*			trans	-58.2	119.8	170.9	-177.5	0	0	0	0	108.8	K9 D15	K9-V11 PolarHBondContact O-N 3.16Å; V11-D15 HydrophobicContact CG1-CB 3.96Å
12	T	30.8	Very low	30	Very low	69 Å²	69	121.7 Å²	121.7	42%	0.423	63%	0.631	S	S	.	*			trans	-84.2	160	-177.2	74.8	0	0	0	0	110.6	S10 S14 D15	S10-T12 PolarHBondContact O-N 3.06Å; T12-S14 PolarHBondContact O-N 3.49Å; T12-S14 PolarHBondContact OG1-N 2.95Å; T12-S14 PolarHBondContact OG1-OG 3.02Å; T12-D15 WeakPolarHBondContact CA-OD2 3.32Å; T12-D15 WeakPolarHBondContact CB-OD2 3.44Å; T12-D15 PolarHBondContact N-OD2 3.46Å; T12-D15 PolarHBondContact O-N 3.43Å; T12-D15 VanDerWaalsContact O-N 3.09Å; T12-D15 PolarHBondContact OG1-OD2 3.43Å
13	N	29.5	Very low	30.7	Very low	97 Å²	97	117.5 Å²	117.5	52%	0.519	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.3	11.9	174.2	-154.2	2.6	0	0	0	113.3	K17 D85	N13-K17 WeakPolarHBondContact O-CD 3.38Å; N13-K17 WeakPolarHBondContact O-CE 3.5Å; N13-D85 PolarHBondContact ND2-OD2 3.42Å
14	S	32.9	Very low	31	Very low	66 Å²	66	110.9 Å²	110.9	46%	0.462	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.6	-29.2	168.9	79.7	0	0	0	0	113	T12 K17	T12-S14 PolarHBondContact O-N 3.49Å; T12-S14 PolarHBondContact OG1-N 2.95Å; T12-S14 PolarHBondContact OG1-OG 3.02Å; S14-K17 PolarHBondContact O-N 3.37Å
15	D	29.8	Very low	31.3	Very low	81 Å²	81	107.5 Å²	107.5	43%	0.433	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-44.7	-174.5	-58.2	-63.9	0	0	0	111.2	V11 T12 K17 K18	V11-D15 HydrophobicContact CG1-CB 3.96Å; T12-D15 WeakPolarHBondContact CA-OD2 3.32Å; T12-D15 WeakPolarHBondContact CB-OD2 3.44Å; T12-D15 PolarHBondContact N-OD2 3.46Å; T12-D15 PolarHBondContact O-N 3.43Å; T12-D15 VanDerWaalsContact O-N 3.09Å; T12-D15 PolarHBondContact OG1-OD2 3.43Å; D15-K17 PolarHBondContact O-N 3.08Å; D15-K18 PolarHBondContact O-N 3.46Å
16	C	30.2	Very low	31.9	Very low	40 Å²	40	101 Å²	101	27%	0.27	55%	0.548	S	S	.	.	H	α-helix	trans	-59.3	-30.6	175.9	-66.9	0	0	0	0	112.9	K18 L20	C16-K18 VanDerWaalsContact C-N 3.26Å; C16-K18 PolarHBondContact O-N 3.04Å; C16-L20 WeakPolarHBondContact O-CB 3.35Å; C16-L20 PolarHBondContact O-N 3.17Å
17	K	31.5	Very low	32.3	Very low	134 Å²	134	98 Å²	98	58%	0.583	53%	0.532	S	S	*	.	H	α-helix	trans	-71.4	-16.6	-175.6	-67.7	-173.1	179	-174.4	0	113.9	N13 S14 D15	N13-K17 WeakPolarHBondContact O-CD 3.38Å; N13-K17 WeakPolarHBondContact O-CE 3.5Å; S14-K17 PolarHBondContact O-N 3.37Å; D15-K17 PolarHBondContact O-N 3.08Å
18	K	32.5	Very low	32.6	Very low	165 Å²	165	96.4 Å²	96.4	72%	0.717	51%	0.514	S	S	*	.	H	α-helix	trans	-95.4	-33.6	-178.1	-67.1	-178.3	-179.4	175.5	0	114.3	D15 C16	D15-K18 PolarHBondContact O-N 3.46Å; C16-K18 VanDerWaalsContact C-N 3.26Å; C16-K18 PolarHBondContact O-N 3.04Å
19	H	30.6	Very low	33	Very low	142 Å²	142	95.4 Å²	95.4	66%	0.657	50%	0.501	S	S	*	.	H	α-helix	trans	-96.1	-31.6	-175.4	-80.9	-74.3	0	0	0	114.6	P21 F22 T23	H19-P21 VanDerWaalsContact C-CD 3.48Å; H19-F22 PolarHBondContact O-N 2.99Å; H19-F22 VanDerWaalsContact O-N 3.13Å; H19-T23 PolarHBondContact O-N 3.33Å
20	L	32	Very low	33.3	Very low	61 Å²	61	92.9 Å²	92.9	32%	0.319	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-38.6	-175	-158.9	75.6	0	0	0	114.5	C16 F22 I24 Y72	C16-L20 WeakPolarHBondContact O-CB 3.35Å; C16-L20 PolarHBondContact O-N 3.17Å; L20-F22 PolarHBondContact O-N 3.01Å; L20-I24 HydrophobicContact CG-CD1 4.2Å; L20-Y72 HydrophobicContact CD1-CE1 4.27Å
21	P	30.8	Very low	33.6	Very low	82 Å²	82	92.1 Å²	92.1	53%	0.532	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-38.5	176.4	-21.8	34.3	0	0	0	112.7	H19 H25	H19-P21 VanDerWaalsContact C-CD 3.48Å; P21-H25 VanDerWaalsContact O-CB 3.25Å; P21-H25 WeakPolarHBondContact O-CB 3.42Å; P21-H25 PolarHBondContact O-N 3.24Å
22	F	32.9	Very low	33.8	Very low	155 Å²	155	93.6 Å²	93.6	68%	0.68	48%	0.481	S	S	*	.	H	α-helix	trans	-66.3	-52.2	-172.2	-121.5	-83.2	0	0	0	111.9	H19 L20 I24 H25 T26	H19-F22 PolarHBondContact O-N 2.99Å; H19-F22 VanDerWaalsContact O-N 3.13Å; L20-F22 PolarHBondContact O-N 3.01Å; F22-I24 VanDerWaalsContact C-N 3.29Å; F22-I24 PolarHBondContact O-N 3.39Å; F22-H25 PolarHBondContact O-N 3.13Å; F22-T26 PolarHBondContact O-N 2.98Å; F22-T26 PolarHBondContact O-OG1 3.35Å; F22-T26 VanDerWaalsContact O-OG1 3.08Å
23	T	39.8	Very low	33.9	Very low	82 Å²	82	95.7 Å²	95.7	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-38.4	-177.9	-49.6	0	0	0	0	112.1	H19 L27	H19-T23 PolarHBondContact O-N 3.33Å; T23-L27 HydrophobicContact CG2-CD1 4.48Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 3.43Å
24	I	34.5	Very low	34.2	Very low	51 Å²	51	97.3 Å²	97.3	26%	0.262	50%	0.499	S	S	.	.	H	α-helix	trans	-79.2	-32.5	-178.6	-52.3	172.2	0	0	0	111.3	L20 F22 L27 L28 L93	L20-I24 HydrophobicContact CG-CD1 4.2Å; F22-I24 VanDerWaalsContact C-N 3.29Å; F22-I24 PolarHBondContact O-N 3.39Å; I24-L27 PolarHBondContact O-N 3.34Å; I24-L28 PolarHBondContact O-N 3.28Å; I24-L93 HydrophobicContact CG2-CD1 3.73Å; I24-L93 HydrophobicContact CG2-CD2 3.72Å; I24-L93 HydrophobicContact CG2-CG 4.29Å
25	H	35.5	Very low	34.3	Very low	109 Å²	109	99.8 Å²	99.8	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-44.3	171.3	-162.1	-81.6	0	0	0	111.3	P21 F22 L27 L28 E29	P21-H25 VanDerWaalsContact O-CB 3.25Å; P21-H25 WeakPolarHBondContact O-CB 3.42Å; P21-H25 PolarHBondContact O-N 3.24Å; F22-H25 PolarHBondContact O-N 3.13Å; H25-L27 PolarHBondContact O-N 3.05Å; H25-L28 WeakPolarHBondContact O-CB 3.37Å; H25-L28 PolarHBondContact O-N 3.46Å; H25-L28 VanDerWaalsContact O-N 3.13Å; H25-E29 IonicContact CE1-OE1 3.15Å; H25-E29 PolarHBondContact CE1-OE1 3.4Å; H25-E29 IonicContact CE1-OE2 2.7Å; H25-E29 PolarHBondContact CE1-OE2 3.47Å; H25-E29 IonicContact CG-OE2 2.86Å; H25-E29 IonicContact ND1-OE1 3.82Å; H25-E29 IonicContact ND1-OE2 3.77Å; H25-E29 PolarHBondContact ND1-OE2 3.28Å; H25-E29 WeakPolarHBondContact O-CG 3.4Å; H25-E29 PolarHBondContact O-N 3.08Å
26	T	41	Very low	34.4	Very low	63 Å²	63	101.6 Å²	101.6	39%	0.387	52%	0.516	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.3	-53.5	0	0	0	0	112.2	F22 L28 E29 L30	F22-T26 PolarHBondContact O-N 2.98Å; F22-T26 PolarHBondContact O-OG1 3.35Å; F22-T26 VanDerWaalsContact O-OG1 3.08Å; T26-L28 VanDerWaalsContact C-N 3.3Å; T26-L28 PolarHBondContact O-N 3.44Å; T26-E29 PolarHBondContact O-N 3.26Å; T26-L30 HydrophobicContact CG2-CD1 4.01Å; T26-L30 HydrophobicContact CG2-CG 4.44Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 VanDerWaalsContact O-CG 3.27Å; T26-L30 WeakPolarHBondContact O-CG 3.36Å; T26-L30 PolarHBondContact O-N 2.9Å
27	L	36.4	Very low	34.5	Very low	58 Å²	58	102.2 Å²	102.2	30%	0.304	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-27.7	176.1	-72.6	167.8	0	0	0	113.4	T23 I24 H25 N31	T23-L27 HydrophobicContact CG2-CD1 4.48Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 3.43Å; I24-L27 PolarHBondContact O-N 3.34Å; H25-L27 PolarHBondContact O-N 3.05Å; L27-N31 PolarHBondContact O-ND2 3.43Å
28	L	37.2	Very low	34.5	Very low	92 Å²	92	103.6 Å²	103.6	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-73.8	-48.8	169.7	-76.5	177.8	0	0	0	111.8	I24 H25 T26 L30 N31 H32 L93	I24-L28 PolarHBondContact O-N 3.28Å; H25-L28 WeakPolarHBondContact O-CB 3.37Å; H25-L28 PolarHBondContact O-N 3.46Å; H25-L28 VanDerWaalsContact O-N 3.13Å; T26-L28 VanDerWaalsContact C-N 3.3Å; T26-L28 PolarHBondContact O-N 3.44Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.07Å; L28-N31 CarbonylContact O-C 3.55Å; L28-N31 PolarHBondContact O-N 3.14Å; L28-N31 VanDerWaalsContact O-N 3.09Å; L28-H32 WeakPolarHBondContact O-CB 3.47Å; L28-H32 PolarHBondContact O-N 2.88Å; L28-L93 HydrophobicContact CD1-CD2 4.07Å; L28-L93 HydrophobicContact CD2-CD2 4.2Å; L28-L93 HydrophobicContact CG-CD2 4.27Å
29	E	37.2	Very low	34.3	Very low	94 Å²	94	102.8 Å²	102.8	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-59.8	-41.2	-178.9	-74.8	173	121.7	0	0	111.9	H25 T26 N31 H32 N33	H25-E29 IonicContact CE1-OE1 3.15Å; H25-E29 PolarHBondContact CE1-OE1 3.4Å; H25-E29 IonicContact CE1-OE2 2.7Å; H25-E29 PolarHBondContact CE1-OE2 3.47Å; H25-E29 IonicContact CG-OE2 2.86Å; H25-E29 IonicContact ND1-OE1 3.82Å; H25-E29 IonicContact ND1-OE2 3.77Å; H25-E29 PolarHBondContact ND1-OE2 3.28Å; H25-E29 WeakPolarHBondContact O-CG 3.4Å; H25-E29 PolarHBondContact O-N 3.08Å; T26-E29 PolarHBondContact O-N 3.26Å; E29-N31 VanDerWaalsContact C-N 3.34Å; E29-N31 PolarHBondContact O-N 3.38Å; E29-H32 PolarHBondContact O-N 3.01Å; E29-N33 WeakPolarHBondContact O-CB 3.42Å; E29-N33 PolarHBondContact O-N 2.81Å; E29-N33 PolarHBondContact O-ND2 3.27Å
30	L	36.3	Very low	34.3	Very low	98 Å²	98	103.2 Å²	103.2	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-37.9	174.8	-69.3	170.2	0	0	0	112.4	T26 L28 N34	T26-L30 HydrophobicContact CG2-CD1 4.01Å; T26-L30 HydrophobicContact CG2-CG 4.44Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 VanDerWaalsContact O-CG 3.27Å; T26-L30 WeakPolarHBondContact O-CG 3.36Å; T26-L30 PolarHBondContact O-N 2.9Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.07Å; L30-N34 PolarHBondContact O-N 2.97Å
31	N	34.7	Very low	34.2	Very low	98 Å²	98	105.5 Å²	105.5	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-75.5	-30.6	175	-84.7	-67.3	0	0	0	113.5	L27 L28 E29 N35	L27-N31 PolarHBondContact O-ND2 3.43Å; L28-N31 CarbonylContact O-C 3.55Å; L28-N31 PolarHBondContact O-N 3.14Å; L28-N31 VanDerWaalsContact O-N 3.09Å; E29-N31 VanDerWaalsContact C-N 3.34Å; E29-N31 PolarHBondContact O-N 3.38Å; N31-N35 PolarHBondContact O-ND2 3.31Å
32	H	33.6	Very low	34.2	Very low	129 Å²	129	106.8 Å²	106.8	60%	0.597	58%	0.577	S	S	*	*	H	α-helix	trans	-76.2	-38.9	179	-137.6	61.9	0	0	0	111.5	L28 E29 N34 N35 N36	L28-H32 WeakPolarHBondContact O-CB 3.47Å; L28-H32 PolarHBondContact O-N 2.88Å; E29-H32 PolarHBondContact O-N 3.01Å; H32-N34 PolarHBondContact O-N 3.32Å; H32-N35 PolarHBondContact O-N 3.33Å; H32-N36 PolarHBondContact O-N 3.42Å; H32-N36 PolarHBondContact O-ND2 3.42Å
33	N	33.8	Very low	34.1	Very low	113 Å²	113	106.2 Å²	106.2	60%	0.604	58%	0.581	S	S	*	*	H	α-helix	trans	-66.9	-35.4	177.3	-70.7	-25.4	0	0	0	112.6	E29 N35	E29-N33 WeakPolarHBondContact O-CB 3.42Å; E29-N33 PolarHBondContact O-N 2.81Å; E29-N33 PolarHBondContact O-ND2 3.27Å; N33-N35 VanDerWaalsContact C-N 3.27Å; N33-N35 PolarHBondContact O-N 3.47Å
34	N	35	Very low	33.7	Very low	131 Å²	131	110.4 Å²	110.4	70%	0.701	60%	0.601	S	S	*	*	H	α-helix	trans	-64.8	-25.9	175.3	-82.8	-14	0	0	0	113.9	L30 H32	L30-N34 PolarHBondContact O-N 2.97Å; H32-N34 PolarHBondContact O-N 3.32Å
35	N	34	Very low	33.4	Very low	118 Å²	118	112.7 Å²	112.7	63%	0.631	63%	0.627	S	S	*	*	H	α-helix	trans	-95.1	-15.9	-177.3	-74.5	-68	0	0	0	114.3	N31 H32 N33	N31-N35 PolarHBondContact O-ND2 3.31Å; H32-N35 PolarHBondContact O-N 3.33Å; N33-N35 VanDerWaalsContact C-N 3.27Å; N33-N35 PolarHBondContact O-N 3.47Å
36	N	33.6	Very low	33.3	Very low	118 Å²	118	113.6 Å²	113.6	63%	0.631	64%	0.64	S	S	*	*	S	Bend	trans	-99.4	5.1	179.6	-73.7	-40	0	0	0	113.9	H32	H32-N36 PolarHBondContact O-N 3.42Å; H32-N36 PolarHBondContact O-ND2 3.42Å
37	G	31.5	Very low	32.8	Very low	54 Å²	54	117.4 Å²	117.4	56%	0.557	66%	0.658	S	S	*	*	S	Bend	trans	-81.8	-25.4	-164.1	0	0	0	0	0	118.3
38	N	31.3	Very low	32.4	Very low	162 Å²	162	122 Å²	122	87%	0.866	68%	0.683	S	S	*	*			trans	-132.9	41.4	-163	-82.7	-44.1	0	0	0	115.7
39	N	27.7	Very low	32	Very low	149 Å²	149	123.7 Å²	123.7	80%	0.797	70%	0.698	S	S	*	*			trans	-106.4	71.1	165.8	-86.2	-30.6	0	0	0	111.1
40	N	31.2	Very low	31.8	Very low	150 Å²	150	124.7 Å²	124.7	80%	0.802	71%	0.71	S	S	*	*			trans	-158.4	117.7	163	-98.4	-41.5	0	0	0	113.4
41	T	31	Very low	31.5	Very low	110 Å²	110	125.2 Å²	125.2	68%	0.675	71%	0.714	S	S	*	*			trans	39.4	96.7	137.1	4.3	0	0	0	0	120.6
42	T	29.8	Very low	31.3	Very low	109 Å²	109	126.6 Å²	126.6	67%	0.669	72%	0.721	S	S	*	*				55.5	132.1	126.9	62.3	0	0	0	0	122.3
43	N	30.1	Very low	31.1	Very low	142 Å²	142	126.4 Å²	126.4	76%	0.759	73%	0.725	S	S	*	*			trans	92.1	147	148.8	-56	-29.1	0	0	0	119.5
44	N	32.5	Very low	30.9	Very low	170 Å²	170	126.1 Å²	126.1	91%	0.909	72%	0.723	S	S	*	*			trans	74.2	120.5	171.5	-56.3	-18.4	0	0	0	116.3
45	A	28.9	Very low	30.6	Very low	99 Å²	99	123.5 Å²	123.5	82%	0.818	71%	0.712	S	S	*	*			trans	-103.1	137.2	177.4	0	0	0	0	0	111
46	T	32.6	Very low	30.3	Very low	128 Å²	128	122.6 Å²	122.6	79%	0.785	71%	0.707	S	S	*	*			trans	-161.9	134.1	148.3	23.8	0	0	0	0	109.1
47	D	31.2	Very low	30	Very low	143 Å²	143	121.9 Å²	121.9	77%	0.765	70%	0.703	S	S	*	*			trans	53.4	91.1	150.9	-50.4	-20.7	0	0	0	120.1
48	N	27	Very low	29.9	Very low	155 Å²	155	123.6 Å²	123.6	83%	0.829	70%	0.698	S	S	*	*			trans	-93.5	88.4	169	-89.4	-32.8	0	0	0	112.2
49	T	29.8	Very low	29.9	Very low	127 Å²	127	122 Å²	122	78%	0.779	69%	0.686	S	S	*	*			trans	-146.4	50.3	173.9	56.9	0	0	0	0	115.3
50	T	32.4	Very low	30	Very low	115 Å²	115	119.1 Å²	119.1	71%	0.706	67%	0.667	S	S	*	*	S	Bend	trans	-147.3	-9.3	177.7	29.6	0	0	0	0	117.8
51	N	30.5	Very low	30.1	Very low	109 Å²	109	115.3 Å²	115.3	58%	0.583	65%	0.65	S	S	*	*	S	Bend	trans	-93.5	-10.2	-164.2	-76.1	-19	0	0	0	117.3
52	N	30.7	Very low	30.4	Very low	128 Å²	128	113.7 Å²	113.7	68%	0.684	64%	0.637	S	S	*	*	H	α-helix	trans	-79.6	-25.5	-169.7	-70.5	5	0	0	0	115.2	T55 L56	N52-T55 PolarHBondContact O-OG1 3.05Å; N52-L56 PolarHBondContact O-N 2.96Å
53	D	28.9	Very low	31.1	Very low	125 Å²	125	114.4 Å²	114.4	67%	0.668	63%	0.633	S	S	*	*	H	α-helix	trans	-77.8	-26	-176.2	-64.1	-39.1	0	0	0	112.6	N57	D53-N57 PolarHBondContact O-N 3.28Å; D53-N57 PolarHBondContact O-ND2 3.31Å
54	N	29.6	Very low	32	Very low	107 Å²	107	113.9 Å²	113.9	57%	0.572	62%	0.624	S	S	*	*	H	α-helix	trans	-74.3	-43.1	175.9	-73.2	-33	0	0	0	111.4	L56 N57 I58	N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 3.42Å; N54-N57 PolarHBondContact O-N 2.83Å; N54-I58 WeakPolarHBondContact O-CB 3.42Å; N54-I58 WeakPolarHBondContact O-CD1 3.26Å; N54-I58 VanDerWaalsContact O-CG1 3.23Å; N54-I58 WeakPolarHBondContact O-CG1 3.21Å; N54-I58 PolarHBondContact O-N 3.39Å
55	T	28.1	Very low	32.5	Very low	76 Å²	76	110.4 Å²	110.4	47%	0.466	60%	0.602	S	S	.	*	H	α-helix	trans	-60	-44	177.5	45.8	0	0	0	0	111.5	N52 N57 I58 E59	N52-T55 PolarHBondContact O-OG1 3.05Å; T55-N57 PolarHBondContact O-N 3.04Å; T55-I58 PolarHBondContact O-N 3.21Å; T55-E59 WeakPolarHBondContact O-CG 3.4Å; T55-E59 PolarHBondContact O-N 3.12Å
56	L	28.5	Very low	33.3	Very low	99 Å²	99	108.5 Å²	108.5	52%	0.518	58%	0.576	S	S	.	*	H	α-helix	trans	-71.1	-30.2	-175.7	-150.1	137.8	0	0	0	112.8	N52 N54 Q60	N52-L56 PolarHBondContact O-N 2.96Å; N54-L56 VanDerWaalsContact C-N 3.33Å; N54-L56 PolarHBondContact O-N 3.42Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 2.8Å
57	N	27.4	Very low	34.3	Very low	102 Å²	102	107 Å²	107	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-71.4	-42.1	169.2	-82.7	-72.6	0	0	0	112.3	D53 N54 T55 Q60 T61	D53-N57 PolarHBondContact O-N 3.28Å; D53-N57 PolarHBondContact O-ND2 3.31Å; N54-N57 PolarHBondContact O-N 2.83Å; T55-N57 PolarHBondContact O-N 3.04Å; N57-Q60 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-N 3.35Å; N57-T61 PolarHBondContact O-OG1 2.99Å
58	I	28.3	Very low	35.3	Very low	91 Å²	91	106.6 Å²	106.6	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-40.4	178.8	-71.1	165.3	0	0	0	111.2	N54 T55 T61 N62	N54-I58 WeakPolarHBondContact O-CB 3.42Å; N54-I58 WeakPolarHBondContact O-CD1 3.26Å; N54-I58 VanDerWaalsContact O-CG1 3.23Å; N54-I58 WeakPolarHBondContact O-CG1 3.21Å; N54-I58 PolarHBondContact O-N 3.39Å; T55-I58 PolarHBondContact O-N 3.21Å; I58-T61 WeakPolarHBondContact CA-OG1 3.41Å; I58-T61 PolarHBondContact O-N 3.25Å; I58-T61 PolarHBondContact O-OG1 2.79Å; I58-N62 WeakPolarHBondContact O-CB 3.45Å; I58-N62 PolarHBondContact O-N 3.43Å; I58-N62 PolarHBondContact O-ND2 3.3Å
59	E	30.7	Very low	36.2	Very low	128 Å²	128	101.1 Å²	101.1	60%	0.598	53%	0.532	S	S	*	.	H	α-helix	trans	-62.2	-44.8	173.5	-73	178.6	139	0	0	111.7	T55 T61 N62 E63	T55-E59 WeakPolarHBondContact O-CG 3.4Å; T55-E59 PolarHBondContact O-N 3.12Å; E59-T61 VanDerWaalsContact C-N 3.34Å; E59-T61 PolarHBondContact O-N 3.18Å; E59-N62 PolarHBondContact O-N 3.38Å; E59-E63 PolarHBondContact O-N 3.17Å
60	Q	31.7	Very low	37.2	Very low	88 Å²	88	98.2 Å²	98.2	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-68.1	-27.5	177.1	-74.7	-170.6	34.4	0	0	114.3	L56 N57 K64	L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 2.8Å; N57-Q60 PolarHBondContact O-N 3.45Å; Q60-K64 VanDerWaalsContact O-CD 3.25Å; Q60-K64 WeakPolarHBondContact O-CD 3.27Å; Q60-K64 VanDerWaalsContact O-CG 3.27Å; Q60-K64 WeakPolarHBondContact O-CG 3.15Å; Q60-K64 PolarHBondContact O-N 2.78Å
61	T	31.6	Very low	38.5	Very low	71 Å²	71	99.9 Å²	99.9	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-73.7	-45.7	169.4	45.9	0	0	0	0	111	N57 I58 E59 E63 K64 E65	N57-T61 PolarHBondContact O-N 3.35Å; N57-T61 PolarHBondContact O-OG1 2.99Å; I58-T61 WeakPolarHBondContact CA-OG1 3.41Å; I58-T61 PolarHBondContact O-N 3.25Å; I58-T61 PolarHBondContact O-OG1 2.79Å; E59-T61 VanDerWaalsContact C-N 3.34Å; E59-T61 PolarHBondContact O-N 3.18Å; T61-E63 VanDerWaalsContact C-N 3.3Å; T61-E63 PolarHBondContact O-N 2.91Å; T61-K64 PolarHBondContact O-N 3.07Å; T61-E65 WeakPolarHBondContact O-CB 3.35Å; T61-E65 WeakPolarHBondContact O-CG 3.49Å; T61-E65 PolarHBondContact O-N 2.9Å
62	N	37	Very low	39.5	Very low	75 Å²	75	98.5 Å²	98.5	40%	0.401	49%	0.494	S	S	.	.	H	α-helix	trans	-57.1	-41.3	178.1	-75.6	-24.4	0	0	0	112.1	I58 E59 Q66	I58-N62 WeakPolarHBondContact O-CB 3.45Å; I58-N62 PolarHBondContact O-N 3.43Å; I58-N62 PolarHBondContact O-ND2 3.3Å; E59-N62 PolarHBondContact O-N 3.38Å; N62-Q66 WeakPolarHBondContact O-CB 3.47Å; N62-Q66 PolarHBondContact O-N 2.75Å
63	E	45.3	Very low	40.4	Very low	125 Å²	125	95 Å²	95	58%	0.584	48%	0.475	S	S	*	.	H	α-helix	trans	-69.2	-42.5	179.3	-169.1	172.8	-123	0	0	112.4	E59 T61 E65 Q66 I67	E59-E63 PolarHBondContact O-N 3.17Å; T61-E63 VanDerWaalsContact C-N 3.3Å; T61-E63 PolarHBondContact O-N 2.91Å; E63-E65 PolarHBondContact O-N 2.87Å; E63-Q66 PolarHBondContact O-N 3.49Å; E63-I67 HydrophobicContact CG-CD1 4.21Å; E63-I67 VanDerWaalsContact O-CG1 3.3Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; E63-I67 PolarHBondContact O-N 3.31Å
64	K	48.5	Very low	41.5	Very low	131 Å²	131	93.2 Å²	93.2	57%	0.57	46%	0.461	S	S	*	.	H	α-helix	trans	-64.5	-39.9	176.2	-71.1	166.3	-167.6	152.1	0	111.8	Q60 T61 H68	Q60-K64 VanDerWaalsContact O-CD 3.25Å; Q60-K64 WeakPolarHBondContact O-CD 3.27Å; Q60-K64 VanDerWaalsContact O-CG 3.27Å; Q60-K64 WeakPolarHBondContact O-CG 3.15Å; Q60-K64 PolarHBondContact O-N 2.78Å; T61-K64 PolarHBondContact O-N 3.07Å; K64-H68 PolarHBondContact O-N 2.82Å
65	E	43.6	Very low	42.8	Very low	97 Å²	97	91 Å²	91	45%	0.453	45%	0.452	S	S	.	.	H	α-helix	trans	-72	-36.6	176.2	-70.1	-175.5	-176.3	0	0	112	T61 E63 H68 A69	T61-E65 WeakPolarHBondContact O-CB 3.35Å; T61-E65 WeakPolarHBondContact O-CG 3.49Å; T61-E65 PolarHBondContact O-N 2.9Å; E63-E65 PolarHBondContact O-N 2.87Å; E65-H68 PolarHBondContact O-N 3.31Å; E65-A69 WeakPolarHBondContact O-CB 3.17Å; E65-A69 PolarHBondContact O-N 3.33Å
66	Q	44.8	Very low	43.5	Very low	58 Å²	58	91.1 Å²	91.1	27%	0.271	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-45.1	172.3	178.8	161.6	97.1	0	0	111.8	N62 E63 H68 A69 E70 K101	N62-Q66 WeakPolarHBondContact O-CB 3.47Å; N62-Q66 PolarHBondContact O-N 2.75Å; E63-Q66 PolarHBondContact O-N 3.49Å; Q66-H68 VanDerWaalsContact C-N 3.3Å; Q66-H68 PolarHBondContact O-N 3.11Å; Q66-A69 PolarHBondContact O-N 3.11Å; Q66-E70 WeakPolarHBondContact O-CB 3.31Å; Q66-E70 PolarHBondContact O-N 2.99Å; Q66-K101 VanDerWaalsContact OE1-CE 3.23Å
67	I	54.7	Low	44.4	Very low	98 Å²	98	88 Å²	88	50%	0.503	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-37.8	174	-68.1	164.2	0	0	0	110.8	E63 K71	E63-I67 HydrophobicContact CG-CD1 4.21Å; E63-I67 VanDerWaalsContact O-CG1 3.3Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; E63-I67 PolarHBondContact O-N 3.31Å; I67-K71 WeakPolarHBondContact O-CB 3.28Å; I67-K71 PolarHBondContact O-N 2.7Å
68	H	51.4	Low	45.7	Very low	133 Å²	133	92 Å²	92	62%	0.616	45%	0.446	S	S	*	.	H	α-helix	trans	-66.6	-45.2	175.8	-164.4	101.6	0	0	0	111.9	K64 E65 Q66 K71 Y72	K64-H68 PolarHBondContact O-N 2.82Å; E65-H68 PolarHBondContact O-N 3.31Å; Q66-H68 VanDerWaalsContact C-N 3.3Å; Q66-H68 PolarHBondContact O-N 3.11Å; H68-K71 PolarHBondContact O-N 3.23Å; H68-Y72 WeakPolarHBondContact O-CB 3.35Å; H68-Y72 PolarHBondContact O-N 3.46Å
69	A	46.4	Very low	46.5	Very low	40 Å²	40	96 Å²	96	33%	0.331	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.7	0	0	0	0	0	111.7	E65 Q66 Y72 L73	E65-A69 WeakPolarHBondContact O-CB 3.17Å; E65-A69 PolarHBondContact O-N 3.33Å; Q66-A69 PolarHBondContact O-N 3.11Å; A69-Y72 PolarHBondContact O-N 3.42Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 WeakPolarHBondContact O-CG 3.29Å; A69-L73 PolarHBondContact O-N 3.42Å
70	E	51.1	Low	46.9	Very low	67 Å²	67	91.9 Å²	91.9	31%	0.313	45%	0.445	S	S	.	.	H	α-helix	trans	-62.3	-43.9	175.4	-168.6	-156	139.3	0	0	111.5	Q66 Y72 L73 K74 W97	Q66-E70 WeakPolarHBondContact O-CB 3.31Å; Q66-E70 PolarHBondContact O-N 2.99Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 3.04Å; E70-L73 PolarHBondContact O-N 3.49Å; E70-K74 HydrophobicContact CG-CD 4.23Å; E70-K74 VanDerWaalsContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CB 3.48Å; E70-K74 WeakPolarHBondContact O-CG 3.31Å; E70-K74 PolarHBondContact O-N 2.84Å; E70-K74 WeakPolarHBondContact OE1-CE 3.19Å; E70-K74 IonicContact OE1-NZ 2.61Å; E70-K74 PolarHBondContact OE1-NZ 3.38Å; E70-W97 HydrophobicContact CB-CH2 3.93Å; E70-W97 HydrophobicContact CB-CZ2 4.31Å; E70-W97 HydrophobicContact CG-CH2 4.06Å
71	K	60.1	Low	47.1	Very low	149 Å²	149	91.5 Å²	91.5	65%	0.648	46%	0.464	S	S	*	.	H	α-helix	trans	-65.3	-36.4	176.4	-172.6	175.4	-178.1	178.7	0	111.8	I67 H68 T75	I67-K71 WeakPolarHBondContact O-CB 3.28Å; I67-K71 PolarHBondContact O-N 2.7Å; H68-K71 PolarHBondContact O-N 3.23Å; K71-T75 VanDerWaalsContact O-CB 3.27Å; K71-T75 WeakPolarHBondContact O-CB 3.11Å; K71-T75 PolarHBondContact O-N 3.43Å; K71-T75 PolarHBondContact O-OG1 3.45Å
72	Y	51.5	Low	47.4	Very low	81 Å²	81	93.4 Å²	93.4	32%	0.318	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-46.6	174.2	-175.1	-95.1	0	0	0	111.3	L20 H68 A69 E70 T75 M76	L20-Y72 HydrophobicContact CD1-CE1 4.27Å; H68-Y72 WeakPolarHBondContact O-CB 3.35Å; H68-Y72 PolarHBondContact O-N 3.46Å; A69-Y72 PolarHBondContact O-N 3.42Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; E70-Y72 PolarHBondContact O-N 3.04Å; Y72-T75 CarbonylContact O-C 3.57Å; Y72-T75 WeakPolarHBondContact O-CA 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.47Å; Y72-T75 PolarHBondContact O-N 2.98Å; Y72-T75 VanDerWaalsContact O-N 3.1Å; Y72-M76 HydrophobicContact CD1-CG 4.14Å; Y72-M76 HydrophobicContact CE1-CE 3.8Å; Y72-M76 HydrophobicContact CE1-CG 3.87Å; Y72-M76 PolarHBondContact O-N 3.25Å; Y72-M76 VanDerWaalsContact OH-CE 3.25Å; Y72-M76 WeakPolarHBondContact OH-CE 3.25Å
73	L	48.2	Very low	47.4	Very low	54 Å²	54	91.7 Å²	91.7	28%	0.283	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-46.4	176	-74.8	167.4	0	0	0	112	A69 E70 T75 M76 V77 I94 W97	A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 WeakPolarHBondContact O-CG 3.29Å; A69-L73 PolarHBondContact O-N 3.42Å; E70-L73 PolarHBondContact O-N 3.49Å; L73-T75 PolarHBondContact O-N 3.18Å; L73-M76 WeakPolarHBondContact O-CB 3.2Å; L73-M76 PolarHBondContact O-N 3.25Å; L73-V77 WeakPolarHBondContact O-CB 3.4Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 2.84Å; L73-I94 HydrophobicContact CD2-CD1 4.45Å; L73-W97 HydrophobicContact CD1-CE3 3.9Å; L73-W97 HydrophobicContact CD1-CH2 3.77Å; L73-W97 HydrophobicContact CD1-CZ2 4.38Å; L73-W97 HydrophobicContact CD1-CZ3 3.49Å; L73-W97 VanDerWaalsContact CD1-CZ3 3.49Å
74	K	53.4	Low	47.2	Very low	88 Å²	88	89.7 Å²	89.7	38%	0.383	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-30.3	172.2	-75.9	178.4	171.8	176.6	0	112.3	E70 K78	E70-K74 HydrophobicContact CG-CD 4.23Å; E70-K74 VanDerWaalsContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CB 3.48Å; E70-K74 WeakPolarHBondContact O-CG 3.31Å; E70-K74 PolarHBondContact O-N 2.84Å; E70-K74 WeakPolarHBondContact OE1-CE 3.19Å; E70-K74 IonicContact OE1-NZ 2.61Å; E70-K74 PolarHBondContact OE1-NZ 3.38Å; K74-K78 WeakPolarHBondContact O-CB 3.44Å; K74-K78 PolarHBondContact O-N 3.01Å
75	T	55.9	Low	46.7	Very low	61 Å²	61	88.7 Å²	88.7	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-77.6	-38.9	174.5	-59.8	0	0	0	0	112.2	K71 Y72 L73 K78 K79	K71-T75 VanDerWaalsContact O-CB 3.27Å; K71-T75 WeakPolarHBondContact O-CB 3.11Å; K71-T75 PolarHBondContact O-N 3.43Å; K71-T75 PolarHBondContact O-OG1 3.45Å; Y72-T75 CarbonylContact O-C 3.57Å; Y72-T75 WeakPolarHBondContact O-CA 3.32Å; Y72-T75 WeakPolarHBondContact O-CB 3.47Å; Y72-T75 PolarHBondContact O-N 2.98Å; Y72-T75 VanDerWaalsContact O-N 3.1Å; L73-T75 PolarHBondContact O-N 3.18Å; T75-K78 PolarHBondContact O-N 3.49Å; T75-K79 HydrophobicContact CG2-CD 3.99Å; T75-K79 HydrophobicContact CG2-CG 4.39Å; T75-K79 WeakPolarHBondContact O-CB 3.37Å; T75-K79 WeakPolarHBondContact O-CG 3.47Å; T75-K79 PolarHBondContact O-N 3.43Å
76	M	43.4	Very low	46.5	Very low	77 Å²	77	87.7 Å²	87.7	38%	0.379	45%	0.453	S	S	.	.	H	α-helix	trans	-59.5	-60.7	172.5	-86.6	-70.2	-166.9	0	0	109.9	Y72 L73 K78 K79 S80	Y72-M76 HydrophobicContact CD1-CG 4.14Å; Y72-M76 HydrophobicContact CE1-CE 3.8Å; Y72-M76 HydrophobicContact CE1-CG 3.87Å; Y72-M76 PolarHBondContact O-N 3.25Å; Y72-M76 VanDerWaalsContact OH-CE 3.25Å; Y72-M76 WeakPolarHBondContact OH-CE 3.25Å; L73-M76 WeakPolarHBondContact O-CB 3.2Å; L73-M76 PolarHBondContact O-N 3.25Å; M76-K78 PolarHBondContact O-N 2.77Å; M76-K79 PolarHBondContact O-N 3.04Å; M76-S80 PolarHBondContact O-N 3.27Å; M76-S80 PolarHBondContact O-OG 3.06Å
77	V	48	Very low	46.4	Very low	34 Å²	34	88.6 Å²	88.6	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-53.7	-26.6	178.7	173.2	0	0	0	0	112.9	L73 Q109 L110	L73-V77 WeakPolarHBondContact O-CB 3.4Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 2.84Å; V77-Q109 HydrophobicContact CG1-CG 4.37Å; V77-L110 HydrophobicContact CG2-CD2 3.76Å
78	K	53.8	Low	45.6	Very low	187 Å²	187	88.1 Å²	88.1	81%	0.813	45%	0.454	S	S	*	.	H	α-helix	trans	-93.5	-11.8	178.3	-164.8	169.3	-175	174.8	0	114.8	K74 T75 M76	K74-K78 WeakPolarHBondContact O-CB 3.44Å; K74-K78 PolarHBondContact O-N 3.01Å; T75-K78 PolarHBondContact O-N 3.49Å; M76-K78 PolarHBondContact O-N 2.77Å
79	K	45.5	Very low	45	Very low	175 Å²	175	88.1 Å²	88.1	76%	0.761	45%	0.454	S	S	*	.	H	α-helix	trans	-108	-39	175.5	-74.8	-173.5	177.6	-174.9	0	112.9	T75 M76 G81	T75-K79 HydrophobicContact CG2-CD 3.99Å; T75-K79 HydrophobicContact CG2-CG 4.39Å; T75-K79 WeakPolarHBondContact O-CB 3.37Å; T75-K79 WeakPolarHBondContact O-CG 3.47Å; T75-K79 PolarHBondContact O-N 3.43Å; M76-K79 PolarHBondContact O-N 3.04Å; K79-G81 PolarHBondContact O-N 2.85Å
80	S	38	Very low	44.7	Very low	41 Å²	41	87.7 Å²	87.7	29%	0.287	45%	0.446	S	S	.	.			trans	-90.8	92.4	176.3	63.6	0	0	0	0	110.1	M76 N82	M76-S80 PolarHBondContact O-N 3.27Å; M76-S80 PolarHBondContact O-OG 3.06Å; S80-N82 PolarHBondContact O-N 2.86Å; S80-N82 VanDerWaalsContact O-N 3.15Å
81	G	36.9	Very low	44.3	Very low	79 Å²	79	85.6 Å²	85.6	81%	0.814	44%	0.436	S	S	*	.	S	Bend	trans	-63.4	-11	169.8	0	0	0	0	0	114.1	K79	K79-G81 PolarHBondContact O-N 2.85Å
82	N	36.8	Very low	43.4	Very low	111 Å²	111	81.8 Å²	81.8	59%	0.594	42%	0.423	S	S	*	.	S	Bend	trans	-122.1	118.5	174.6	-70.4	-25	0	0	0	109.2	S80 I84	S80-N82 PolarHBondContact O-N 2.86Å; S80-N82 VanDerWaalsContact O-N 3.15Å; N82-I84 VanDerWaalsContact C-N 3.31Å; N82-I84 HydrophobicContact CB-CD1 3.82Å; N82-I84 HydrophobicContact CB-CG1 4.05Å; N82-I84 PolarHBondContact O-N 3.44Å
83	I	38.8	Very low	43	Very low	39 Å²	39	80.5 Å²	80.5	20%	0.2	42%	0.421	C	S	.	.			trans	-92.5	66.7	177.1	-50.7	-175.5	0	0	0	109	L86 N113 S117	I83-L86 HydrophobicContact CG2-CD1 3.43Å; I83-L86 VanDerWaalsContact CG2-CD1 3.43Å; I83-L86 HydrophobicContact CG2-CG 3.83Å; I83-N113 HydrophobicContact CD1-CB 3.64Å; I83-S117 PolarHBondContact O-OG 2.95Å
84	I	40.4	Very low	42.8	Very low	83 Å²	83	79.5 Å²	79.5	43%	0.426	42%	0.416	S	S	.	.			trans	-104.6	-21.8	-173.2	-63.8	175.7	0	0	0	112.5	N82 L86 T121	N82-I84 VanDerWaalsContact C-N 3.31Å; N82-I84 HydrophobicContact CB-CD1 3.82Å; N82-I84 HydrophobicContact CB-CG1 4.05Å; N82-I84 PolarHBondContact O-N 3.44Å; I84-L86 PolarHBondContact O-N 3.35Å; I84-T121 HydrophobicContact CD1-CG2 3.73Å
85	D	38.3	Very low	42.2	Very low	110 Å²	110	76.4 Å²	76.4	59%	0.588	40%	0.403	S	S	*	.			trans	-90.9	18.8	-176.6	-87.9	-22	0	0	0	114.6	N13	N13-D85 PolarHBondContact ND2-OD2 3.42Å
86	L	40	Very low	41.5	Very low	76 Å²	76	77.5 Å²	77.5	40%	0.398	41%	0.407	S	S	.	.			trans	-91	105.4	178	-72.6	-174.6	0	0	0	113.2	I83 I84 N90 I94	I83-L86 HydrophobicContact CG2-CD1 3.43Å; I83-L86 VanDerWaalsContact CG2-CD1 3.43Å; I83-L86 HydrophobicContact CG2-CG 3.83Å; I84-L86 PolarHBondContact O-N 3.35Å; L86-N90 HydrophobicContact CD2-CB 4.11Å; L86-I94 HydrophobicContact CD1-CD1 3.89Å; L86-I94 HydrophobicContact CD2-CD1 3.9Å
87	N	40.9	Very low	41.6	Very low	77 Å²	77	76.8 Å²	76.8	41%	0.412	40%	0.4	S	S	.	.			trans	-49.3	142	164.5	170.8	3	0	0	0	111.9	Q89 N90 F91	N87-Q89 PolarHBondContact ND2-OE1 3.04Å; N87-Q89 PolarHBondContact O-N 3.01Å; N87-Q89 VanDerWaalsContact O-N 3.16Å; N87-Q89 PolarHBondContact OD1-N 3.06Å; N87-N90 HydrophobicContact CB-CB 4.3Å; N87-N90 CarbonylContact O-C 3.55Å; N87-N90 WeakPolarHBondContact O-CA 3.45Å; N87-N90 WeakPolarHBondContact O-CB 3.36Å; N87-N90 PolarHBondContact O-N 3.44Å; N87-F91 PolarHBondContact O-N 3.45Å
88	K	38.5	Very low	41.2	Very low	88 Å²	88	76.6 Å²	76.6	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-53.8	-32.8	175.7	-162.7	168	-172	178.9	0	112.9	F91 N92 D129 D133	K88-F91 PolarHBondContact O-N 3.3Å; K88-N92 PolarHBondContact O-N 3.11Å; K88-D129 IonicContact NZ-OD2 2.71Å; K88-D129 PolarHBondContact NZ-OD2 2.89Å; K88-D133 WeakPolarHBondContact CE-OD2 3.41Å; K88-D133 IonicContact NZ-OD2 3.61Å; K88-D133 PolarHBondContact NZ-OD2 3.39Å
89	Q	38.5	Very low	40.5	Very low	134 Å²	134	70 Å²	70	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-63.8	-48.1	169.7	-65.5	174.7	-50.9	0	0	112.2	N87 F91 N92 L93	N87-Q89 PolarHBondContact ND2-OE1 3.04Å; N87-Q89 PolarHBondContact O-N 3.01Å; N87-Q89 VanDerWaalsContact O-N 3.16Å; N87-Q89 PolarHBondContact OD1-N 3.06Å; Q89-F91 VanDerWaalsContact C-N 3.27Å; Q89-F91 PolarHBondContact O-N 3.29Å; Q89-N92 PolarHBondContact O-N 3.03Å; Q89-L93 WeakPolarHBondContact O-CB 3.46Å; Q89-L93 WeakPolarHBondContact O-CD1 3.48Å; Q89-L93 WeakPolarHBondContact O-CG 3.18Å; Q89-L93 PolarHBondContact O-N 3.35Å
90	N	41.4	Very low	40.3	Very low	30 Å²	30	64.7 Å²	64.7	16%	0.16	36%	0.36	C	S	.	.	H	α-helix	trans	-61.3	-37.9	177.2	-65.4	0.2	0	0	0	110.8	L86 N87 I94	L86-N90 HydrophobicContact CD2-CB 4.11Å; N87-N90 HydrophobicContact CB-CB 4.3Å; N87-N90 CarbonylContact O-C 3.55Å; N87-N90 WeakPolarHBondContact O-CA 3.45Å; N87-N90 WeakPolarHBondContact O-CB 3.36Å; N87-N90 PolarHBondContact O-N 3.44Å; N90-I94 WeakPolarHBondContact O-CB 3.41Å; N90-I94 WeakPolarHBondContact O-CD1 3.35Å; N90-I94 WeakPolarHBondContact O-CG1 3.21Å; N90-I94 PolarHBondContact O-N 3.12Å
91	F	41.2	Very low	40.7	Very low	23 Å²	23	68.7 Å²	68.7	10%	0.101	37%	0.372	C	S	.	.	H	α-helix	trans	-63	-47.4	176	-171.9	-105.3	0	0	0	111.9	N87 K88 Q89 L93 I94 N95 V130	N87-F91 PolarHBondContact O-N 3.45Å; K88-F91 PolarHBondContact O-N 3.3Å; Q89-F91 VanDerWaalsContact C-N 3.27Å; Q89-F91 PolarHBondContact O-N 3.29Å; F91-L93 PolarHBondContact O-N 2.99Å; F91-I94 PolarHBondContact O-N 3.22Å; F91-N95 WeakPolarHBondContact CD1-ND2 3.11Å; F91-N95 WeakPolarHBondContact CE1-ND2 3.39Å; F91-N95 VanDerWaalsContact O-CG 3.26Å; F91-N95 PolarHBondContact O-N 2.86Å; F91-V130 HydrophobicContact CD1-CG1 4.13Å; F91-V130 HydrophobicContact CD2-CG1 4.44Å; F91-V130 HydrophobicContact CE1-CB 4.32Å; F91-V130 HydrophobicContact CE1-CG1 3.56Å; F91-V130 HydrophobicContact CE2-CG1 3.94Å; F91-V130 HydrophobicContact CZ-CG1 3.47Å; F91-V130 VanDerWaalsContact CZ-CG1 3.47Å
92	N	41.4	Very low	40.9	Very low	70 Å²	70	66.8 Å²	66.8	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-35.8	178.5	-69.7	0.5	0	0	0	112.8	K88 Q89 N95 N96	K88-N92 PolarHBondContact O-N 3.11Å; Q89-N92 PolarHBondContact O-N 3.03Å; N92-N95 PolarHBondContact O-N 3.28Å; N92-N96 PolarHBondContact O-N 3.29Å; N92-N96 VanDerWaalsContact O-N 3.14Å
93	L	43.9	Very low	41.5	Very low	53 Å²	53	66.3 Å²	66.3	28%	0.277	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-45.7	171	-81.3	159.8	0	0	0	111.8	I24 L28 Q89 F91 N95 N96 W97	I24-L93 HydrophobicContact CG2-CD1 3.73Å; I24-L93 HydrophobicContact CG2-CD2 3.72Å; I24-L93 HydrophobicContact CG2-CG 4.29Å; L28-L93 HydrophobicContact CD1-CD2 4.07Å; L28-L93 HydrophobicContact CD2-CD2 4.2Å; L28-L93 HydrophobicContact CG-CD2 4.27Å; Q89-L93 WeakPolarHBondContact O-CB 3.46Å; Q89-L93 WeakPolarHBondContact O-CD1 3.48Å; Q89-L93 WeakPolarHBondContact O-CG 3.18Å; Q89-L93 PolarHBondContact O-N 3.35Å; F91-L93 PolarHBondContact O-N 2.99Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N96 PolarHBondContact O-N 2.91Å; L93-W97 WeakPolarHBondContact O-CB 3.42Å; L93-W97 PolarHBondContact O-N 3.39Å; L93-W97 VanDerWaalsContact O-N 3.12Å
94	I	43.9	Very low	41.7	Very low	34 Å²	34	70.1 Å²	70.1	17%	0.174	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-40.6	175.8	-76.3	165.9	0	0	0	110.4	L73 L86 N90 F91 W97 I98	L73-I94 HydrophobicContact CD2-CD1 4.45Å; L86-I94 HydrophobicContact CD1-CD1 3.89Å; L86-I94 HydrophobicContact CD2-CD1 3.9Å; N90-I94 WeakPolarHBondContact O-CB 3.41Å; N90-I94 WeakPolarHBondContact O-CD1 3.35Å; N90-I94 WeakPolarHBondContact O-CG1 3.21Å; N90-I94 PolarHBondContact O-N 3.12Å; F91-I94 PolarHBondContact O-N 3.22Å; I94-W97 CarbonylContact O-C 3.57Å; I94-W97 PolarHBondContact O-N 3.05Å; I94-I98 HydrophobicContact CG2-CD1 3.47Å; I94-I98 VanDerWaalsContact CG2-CD1 3.47Å; I94-I98 HydrophobicContact CG2-CG1 4.04Å; I94-I98 WeakPolarHBondContact O-CB 3.38Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.16Å
95	N	40.4	Very low	42	Very low	23 Å²	23	72.1 Å²	72.1	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-44.7	178.1	-71.7	-15.9	0	0	0	113.1	F91 N92 L93 W97 I98 A99	F91-N95 WeakPolarHBondContact CD1-ND2 3.11Å; F91-N95 WeakPolarHBondContact CE1-ND2 3.39Å; F91-N95 VanDerWaalsContact O-CG 3.26Å; F91-N95 PolarHBondContact O-N 2.86Å; N92-N95 PolarHBondContact O-N 3.28Å; L93-N95 VanDerWaalsContact C-N 3.35Å; N95-W97 PolarHBondContact O-N 3.3Å; N95-I98 PolarHBondContact O-N 3.39Å; N95-A99 WeakPolarHBondContact O-CB 3.48Å; N95-A99 PolarHBondContact O-N 2.95Å
96	N	42.5	Very low	42.5	Very low	84 Å²	84	68.3 Å²	68.3	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-31.9	174.4	-84.8	-43.2	0	0	0	112.6	N92 L93 T100 Y162	N92-N96 PolarHBondContact O-N 3.29Å; N92-N96 VanDerWaalsContact O-N 3.14Å; L93-N96 PolarHBondContact O-N 2.91Å; N96-T100 WeakPolarHBondContact O-CG2 3.23Å; N96-T100 PolarHBondContact O-OG1 2.7Å; N96-Y162 PolarHBondContact OD1-OH 3.49Å
97	W	44.7	Very low	42.9	Very low	61 Å²	61	68.3 Å²	68.3	23%	0.231	34%	0.34	C	S	.	.	H	α-helix	trans	-77.6	-36	175.8	-163.5	83	0	0	0	112.6	E70 L73 L93 I94 N95 T100 K101 L102	E70-W97 HydrophobicContact CB-CH2 3.93Å; E70-W97 HydrophobicContact CB-CZ2 4.31Å; E70-W97 HydrophobicContact CG-CH2 4.06Å; L73-W97 HydrophobicContact CD1-CE3 3.9Å; L73-W97 HydrophobicContact CD1-CH2 3.77Å; L73-W97 HydrophobicContact CD1-CZ2 4.38Å; L73-W97 HydrophobicContact CD1-CZ3 3.49Å; L73-W97 VanDerWaalsContact CD1-CZ3 3.49Å; L93-W97 WeakPolarHBondContact O-CB 3.42Å; L93-W97 PolarHBondContact O-N 3.39Å; L93-W97 VanDerWaalsContact O-N 3.12Å; I94-W97 CarbonylContact O-C 3.57Å; I94-W97 PolarHBondContact O-N 3.05Å; N95-W97 PolarHBondContact O-N 3.3Å; W97-T100 PolarHBondContact O-N 3.03Å; W97-T100 PolarHBondContact O-OG1 3.44Å; W97-K101 PolarHBondContact O-N 3.22Å; W97-L102 HydrophobicContact CE3-CD1 4.13Å; W97-L102 HydrophobicContact CZ3-CD1 3.82Å
98	I	38.9	Very low	43.1	Very low	31 Å²	31	67.4 Å²	67.4	16%	0.159	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-48.3	172.6	-73.4	169	0	0	0	110.5	I94 N95 T100 L102 F107 L110	I94-I98 HydrophobicContact CG2-CD1 3.47Å; I94-I98 VanDerWaalsContact CG2-CD1 3.47Å; I94-I98 HydrophobicContact CG2-CG1 4.04Å; I94-I98 WeakPolarHBondContact O-CB 3.38Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.16Å; N95-I98 PolarHBondContact O-N 3.39Å; I98-T100 PolarHBondContact O-N 2.93Å; I98-T100 VanDerWaalsContact O-N 3.1Å; I98-L102 HydrophobicContact CB-CD2 4.49Å; I98-L102 HydrophobicContact CG1-CD1 4.21Å; I98-L102 HydrophobicContact CG1-CD2 4.08Å; I98-L102 HydrophobicContact CG2-CB 4.41Å; I98-L102 HydrophobicContact CG2-CD2 4.09Å; I98-L102 WeakPolarHBondContact O-CB 3.5Å; I98-L102 PolarHBondContact O-N 3.3Å; I98-F107 HydrophobicContact CG2-CD2 3.96Å; I98-F107 HydrophobicContact CG2-CE2 4.33Å; I98-L110 HydrophobicContact CD1-CD1 3.76Å; I98-L110 HydrophobicContact CG1-CD1 4.06Å
99	A	39	Very low	43.7	Very low	47 Å²	47	67.5 Å²	67.5	39%	0.388	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-21.7	-177.5	0	0	0	0	0	113.8	N95 N166	N95-A99 WeakPolarHBondContact O-CB 3.48Å; N95-A99 PolarHBondContact O-N 2.95Å; A99-N166 PolarHBondContact O-ND2 3.36Å
100	T	42.6	Very low	44.2	Very low	64 Å²	64	62.6 Å²	62.6	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-105.3	-28.1	-171.7	47.8	0	0	0	0	114.7	N96 W97 I98 Y162	N96-T100 WeakPolarHBondContact O-CG2 3.23Å; N96-T100 PolarHBondContact O-OG1 2.7Å; W97-T100 PolarHBondContact O-N 3.03Å; W97-T100 PolarHBondContact O-OG1 3.44Å; I98-T100 PolarHBondContact O-N 2.93Å; I98-T100 VanDerWaalsContact O-N 3.1Å; T100-Y162 HydrophobicContact CG2-CD1 4.41Å; T100-Y162 HydrophobicContact CG2-CE1 3.96Å
101	K	46.7	Very low	44.6	Very low	126 Å²	126	64.8 Å²	64.8	55%	0.548	32%	0.322	S	S	.	.	H	α-helix	trans	-136	1.2	-165.5	-86.2	-83	173.8	159.1	0	116.9	Q66 W97	Q66-K101 VanDerWaalsContact OE1-CE 3.23Å; W97-K101 PolarHBondContact O-N 3.22Å
102	L	39.5	Very low	45.1	Very low	38 Å²	38	68 Å²	68	20%	0.199	34%	0.336	C	S	.	.			trans	-91.1	128.7	-164.3	-134.7	82.3	0	0	0	116.1	W97 I98 L106 F107 L110	W97-L102 HydrophobicContact CE3-CD1 4.13Å; W97-L102 HydrophobicContact CZ3-CD1 3.82Å; I98-L102 HydrophobicContact CB-CD2 4.49Å; I98-L102 HydrophobicContact CG1-CD1 4.21Å; I98-L102 HydrophobicContact CG1-CD2 4.08Å; I98-L102 HydrophobicContact CG2-CB 4.41Å; I98-L102 HydrophobicContact CG2-CD2 4.09Å; I98-L102 WeakPolarHBondContact O-CB 3.5Å; I98-L102 PolarHBondContact O-N 3.3Å; L102-L106 HydrophobicContact CD1-CD2 3.76Å; L102-L106 HydrophobicContact CD1-CG 4.26Å; L102-L106 HydrophobicContact CD2-CB 4.05Å; L102-L106 HydrophobicContact CD2-CD2 4.41Å; L102-L106 HydrophobicContact CD2-CG 4.01Å; L102-L106 HydrophobicContact CG-CB 4.08Å; L102-L106 HydrophobicContact CG-CD2 3.99Å; L102-L106 HydrophobicContact CG-CG 4.09Å; L102-F107 HydrophobicContact CD2-CB 3.99Å; L102-F107 VanDerWaalsContact CD2-N 3.35Å; L102-L110 HydrophobicContact CD2-CD1 3.83Å
103	D	49.1	Very low	45.3	Very low	102 Å²	102	66.2 Å²	66.2	55%	0.545	33%	0.327	S	S	.	.			trans	-66.4	145.8	170	175.8	26.4	0	0	0	112.4	K105 L106 F107	D103-K105 PolarHBondContact O-N 3.19Å; D103-L106 PolarHBondContact O-N 2.71Å; D103-F107 PolarHBondContact O-N 2.69Å; D103-F107 VanDerWaalsContact O-N 3.09Å
104	E	44	Very low	45.5	Very low	119 Å²	119	65.8 Å²	65.8	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-51.9	-49	-170.1	-174.4	-171.6	140.8	0	0	112.3	L106 F107 L108 Y173	E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.48Å; E104-F107 PolarHBondContact O-N 2.82Å; E104-L108 PolarHBondContact O-N 3.1Å; E104-Y173 HydrophobicContact CG-CD2 3.74Å; E104-Y173 HydrophobicContact CG-CE2 4.01Å; E104-Y173 WeakPolarHBondContact OE1-CD2 3.26Å; E104-Y173 VanDerWaalsContact OE1-CE2 3.31Å; E104-Y173 WeakPolarHBondContact OE1-CE2 3.4Å
105	K	46.2	Very low	45.6	Very low	124 Å²	124	65.9 Å²	65.9	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-32	179	-73.8	-172.1	175.8	-177.2	0	112.9	D103 Q109 D346	D103-K105 PolarHBondContact O-N 3.19Å; K105-Q109 WeakPolarHBondContact O-CB 3.44Å; K105-Q109 PolarHBondContact O-N 3.49Å; K105-D346 IonicContact NZ-OD2 2.69Å; K105-D346 PolarHBondContact NZ-OD2 2.88Å
106	L	50.2	Low	45.8	Very low	30 Å²	30	68.4 Å²	68.4	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-78.4	-33.3	-178.2	-168.4	61.1	0	0	0	111.2	L102 D103 E104 Q109 L110	L102-L106 HydrophobicContact CD1-CD2 3.76Å; L102-L106 HydrophobicContact CD1-CG 4.26Å; L102-L106 HydrophobicContact CD2-CB 4.05Å; L102-L106 HydrophobicContact CD2-CD2 4.41Å; L102-L106 HydrophobicContact CD2-CG 4.01Å; L102-L106 HydrophobicContact CG-CB 4.08Å; L102-L106 HydrophobicContact CG-CD2 3.99Å; L102-L106 HydrophobicContact CG-CG 4.09Å; D103-L106 PolarHBondContact O-N 2.71Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.48Å; L106-Q109 PolarHBondContact O-N 2.87Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.06Å
107	F	47.8	Very low	45.7	Very low	77 Å²	77	65.2 Å²	65.2	34%	0.338	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-48.9	171.8	179.2	-98	0	0	0	110.7	I98 L102 D103 E104 Q109 L110 F111	I98-F107 HydrophobicContact CG2-CD2 3.96Å; I98-F107 HydrophobicContact CG2-CE2 4.33Å; L102-F107 HydrophobicContact CD2-CB 3.99Å; L102-F107 VanDerWaalsContact CD2-N 3.35Å; D103-F107 PolarHBondContact O-N 2.69Å; D103-F107 VanDerWaalsContact O-N 3.09Å; E104-F107 PolarHBondContact O-N 2.82Å; F107-Q109 PolarHBondContact O-N 2.98Å; F107-L110 PolarHBondContact O-N 3.37Å; F107-F111 HydrophobicContact CZ-CD2 4.36Å; F107-F111 WeakPolarHBondContact O-CB 2.96Å; F107-F111 PolarHBondContact O-N 3.12Å
108	L	45.4	Very low	45.5	Very low	57 Å²	57	64.5 Å²	64.5	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-43	177.1	-70.9	163.8	0	0	0	112.6	E104 K112 Y173	E104-L108 PolarHBondContact O-N 3.1Å; L108-K112 WeakPolarHBondContact O-CB 3.41Å; L108-K112 PolarHBondContact O-N 3.46Å; L108-Y173 HydrophobicContact CD1-CE1 4.46Å; L108-Y173 HydrophobicContact CD1-CE2 3.93Å; L108-Y173 WeakPolarHBondContact CD1-OH 3.48Å; L108-Y173 HydrophobicContact CD2-CE1 3.77Å; L108-Y173 WeakPolarHBondContact CD2-OH 3.29Å; L108-Y173 HydrophobicContact CG-CE1 4.45Å
109	Q	50.2	Low	45.7	Very low	91 Å²	91	66.5 Å²	66.5	43%	0.425	33%	0.333	S	S	.	.	H	α-helix	trans	-66.4	-39.6	178.3	-170	63.8	65.5	0	0	112	V77 K105 L106 F107 N113	V77-Q109 HydrophobicContact CG1-CG 4.37Å; K105-Q109 WeakPolarHBondContact O-CB 3.44Å; K105-Q109 PolarHBondContact O-N 3.49Å; L106-Q109 PolarHBondContact O-N 2.87Å; F107-Q109 PolarHBondContact O-N 2.98Å; Q109-N113 PolarHBondContact NE2-OD1 3.13Å; Q109-N113 VanDerWaalsContact O-CB 3.26Å; Q109-N113 WeakPolarHBondContact O-CB 3.45Å; Q109-N113 PolarHBondContact O-N 2.94Å; Q109-N113 PolarHBondContact O-OD1 3.21Å
110	L	48.4	Very low	45.7	Very low	30 Å²	30	67.1 Å²	67.1	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-48.2	175.5	-72.9	178	0	0	0	111.7	V77 I98 L102 L106 F107 K112 N113 V114	V77-L110 HydrophobicContact CG2-CD2 3.76Å; I98-L110 HydrophobicContact CD1-CD1 3.76Å; I98-L110 HydrophobicContact CG1-CD1 4.06Å; L102-L110 HydrophobicContact CD2-CD1 3.83Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.06Å; F107-L110 PolarHBondContact O-N 3.37Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.36Å; L110-N113 PolarHBondContact O-N 2.96Å; L110-V114 WeakPolarHBondContact O-CB 3.2Å; L110-V114 WeakPolarHBondContact O-CG2 3.47Å; L110-V114 PolarHBondContact O-N 3.29Å
111	F	50	Low	45.3	Very low	76 Å²	76	67 Å²	67	33%	0.333	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-43.3	178.6	-169.7	-87.6	0	0	0	111.6	F107 V114 Y115 L182	F107-F111 HydrophobicContact CZ-CD2 4.36Å; F107-F111 WeakPolarHBondContact O-CB 2.96Å; F107-F111 PolarHBondContact O-N 3.12Å; F111-V114 PolarHBondContact O-N 2.86Å; F111-Y115 VanDerWaalsContact O-CB 3.28Å; F111-Y115 WeakPolarHBondContact O-CB 3.07Å; F111-Y115 PolarHBondContact O-N 3.03Å; F111-L182 HydrophobicContact CD1-CD2 4.2Å; F111-L182 HydrophobicContact CE1-CD2 3.76Å
112	K	51.5	Low	45	Very low	92 Å²	92	70.4 Å²	70.4	40%	0.4	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-41.9	174.8	-172.5	169.5	-173.4	164.4	0	112.2	L108 L110 L116	L108-K112 WeakPolarHBondContact O-CB 3.41Å; L108-K112 PolarHBondContact O-N 3.46Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.36Å; K112-L116 HydrophobicContact CG-CD1 4.12Å; K112-L116 WeakPolarHBondContact O-CB 3.28Å; K112-L116 VanDerWaalsContact O-CG 3.23Å; K112-L116 WeakPolarHBondContact O-CG 3.14Å; K112-L116 PolarHBondContact O-N 3.46Å
113	N	47.1	Very low	44.9	Very low	32 Å²	32	74.4 Å²	74.4	17%	0.171	37%	0.37	C	S	.	.	H	α-helix	trans	-68.7	-39.4	177	-73.1	4.4	0	0	0	112.1	I83 Q109 L110 L116 S117	I83-N113 HydrophobicContact CD1-CB 3.64Å; Q109-N113 PolarHBondContact NE2-OD1 3.13Å; Q109-N113 VanDerWaalsContact O-CB 3.26Å; Q109-N113 WeakPolarHBondContact O-CB 3.45Å; Q109-N113 PolarHBondContact O-N 2.94Å; Q109-N113 PolarHBondContact O-OD1 3.21Å; L110-N113 PolarHBondContact O-N 2.96Å; N113-L116 PolarHBondContact O-N 3.11Å; N113-S117 VanDerWaalsContact O-CB 3.27Å; N113-S117 WeakPolarHBondContact O-CB 3.21Å; N113-S117 PolarHBondContact O-N 3.47Å
114	V	46.4	Very low	44.4	Very low	44 Å²	44	72.3 Å²	72.3	27%	0.267	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-50.1	174.1	169.4	0	0	0	0	109.9	L110 F111 L116 S117 L118	L110-V114 WeakPolarHBondContact O-CB 3.2Å; L110-V114 WeakPolarHBondContact O-CG2 3.47Å; L110-V114 PolarHBondContact O-N 3.29Å; F111-V114 PolarHBondContact O-N 2.86Å; V114-L116 VanDerWaalsContact C-N 3.29Å; V114-L116 PolarHBondContact O-N 3.46Å; V114-S117 PolarHBondContact O-N 2.85Å; V114-L118 HydrophobicContact CG1-CD1 3.8Å; V114-L118 HydrophobicContact CG1-CG 4.2Å; V114-L118 VanDerWaalsContact O-CG 3.25Å; V114-L118 WeakPolarHBondContact O-CG 3.43Å; V114-L118 PolarHBondContact O-N 2.92Å
115	Y	46	Very low	44.3	Very low	36 Å²	36	74.7 Å²	74.7	14%	0.141	37%	0.368	C	S	.	.	H	α-helix	trans	-55.9	-41	175.8	-178.5	-95.4	0	0	0	112.7	F111 N119 L185 T186	F111-Y115 VanDerWaalsContact O-CB 3.28Å; F111-Y115 WeakPolarHBondContact O-CB 3.07Å; F111-Y115 PolarHBondContact O-N 3.03Å; Y115-N119 PolarHBondContact O-ND2 3.18Å; Y115-L185 HydrophobicContact CE1-CB 4.19Å; Y115-L185 PolarHBondContact OH-O 3.47Å; Y115-L185 VanDerWaalsContact OH-O 3.08Å; Y115-T186 WeakPolarHBondContact OH-CA 3.36Å
116	L	46.1	Very low	43.8	Very low	76 Å²	76	75.5 Å²	75.5	40%	0.398	37%	0.374	S	S	.	.	H	α-helix	trans	-72.4	-32.4	175.5	-70.2	169.1	0	0	0	112.9	K112 N113 V114 N119 S120	K112-L116 HydrophobicContact CG-CD1 4.12Å; K112-L116 WeakPolarHBondContact O-CB 3.28Å; K112-L116 VanDerWaalsContact O-CG 3.23Å; K112-L116 WeakPolarHBondContact O-CG 3.14Å; K112-L116 PolarHBondContact O-N 3.46Å; N113-L116 PolarHBondContact O-N 3.11Å; V114-L116 VanDerWaalsContact C-N 3.29Å; V114-L116 PolarHBondContact O-N 3.46Å; L116-N119 PolarHBondContact O-N 3.46Å; L116-S120 WeakPolarHBondContact O-CB 3.05Å; L116-S120 PolarHBondContact O-N 2.86Å
117	S	40.3	Very low	43.2	Very low	16 Å²	16	75.9 Å²	75.9	11%	0.112	38%	0.375	C	S	.	.	H	α-helix	trans	-75.1	-32.9	178	-156.5	0	0	0	0	112.9	I83 N113 V114 N119 S120	I83-S117 PolarHBondContact O-OG 2.95Å; N113-S117 VanDerWaalsContact O-CB 3.27Å; N113-S117 WeakPolarHBondContact O-CB 3.21Å; N113-S117 PolarHBondContact O-N 3.47Å; V114-S117 PolarHBondContact O-N 2.85Å; S117-N119 PolarHBondContact O-N 2.95Å; S117-S120 PolarHBondContact O-N 3.19Å; S117-S120 PolarHBondContact O-OG 3.21Å
118	L	39.5	Very low	42.7	Very low	46 Å²	46	74.7 Å²	74.7	24%	0.241	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.5	170.1	-66.9	168.6	0	0	0	112.5	V114 Q127	V114-L118 HydrophobicContact CG1-CD1 3.8Å; V114-L118 HydrophobicContact CG1-CG 4.2Å; V114-L118 VanDerWaalsContact O-CG 3.25Å; V114-L118 WeakPolarHBondContact O-CG 3.43Å; V114-L118 PolarHBondContact O-N 2.92Å; L118-Q127 HydrophobicContact CD2-CB 3.57Å; L118-Q127 HydrophobicContact CD2-CG 3.82Å; L118-Q127 PolarHBondContact O-OE1 2.84Å
119	N	42.9	Very low	42.4	Very low	73 Å²	73	75.5 Å²	75.5	39%	0.39	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	1.4	178.1	-82.2	-76.5	0	0	0	113.8	Y115 L116 S117	Y115-N119 PolarHBondContact O-ND2 3.18Å; L116-N119 PolarHBondContact O-N 3.46Å; S117-N119 PolarHBondContact O-N 2.95Å
120	S	40.6	Very low	42	Very low	61 Å²	61	72.6 Å²	72.6	43%	0.427	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-15.8	-164.1	74.3	0	0	0	0	117.7	L116 S117	L116-S120 WeakPolarHBondContact O-CB 3.05Å; L116-S120 PolarHBondContact O-N 2.86Å; S117-S120 PolarHBondContact O-N 3.19Å; S117-S120 PolarHBondContact O-OG 3.21Å
121	T	33.5	Very low	41.6	Very low	61 Å²	61	73.7 Å²	73.7	37%	0.374	37%	0.37	S	S	.	.	S	Bend	trans	-145.6	158.8	-173.2	36.8	0	0	0	0	116.1	I84 Q123	I84-T121 HydrophobicContact CD1-CG2 3.73Å; T121-Q123 VanDerWaalsContact C-N 3.3Å; T121-Q123 PolarHBondContact O-N 3.04Å
122	Q	39.9	Very low	41.3	Very low	197 Å²	197	73.6 Å²	73.6	92%	0.921	37%	0.373	S	S	*	.	S	Bend	trans	-77.9	48.2	-163.4	-59.2	176.5	-50.2	0	0	115.5
123	Q	38.1	Very low	41.1	Very low	123 Å²	123	71.8 Å²	71.8	58%	0.575	37%	0.368	S	S	*	.			trans	-135.3	60.9	179.2	-68.4	-170.2	-9.4	0	0	112.6	T121 E125 Q127	T121-Q123 VanDerWaalsContact C-N 3.3Å; T121-Q123 PolarHBondContact O-N 3.04Å; Q123-E125 PolarHBondContact O-N 2.7Å; Q123-Q127 VanDerWaalsContact O-CG 3.28Å; Q123-Q127 WeakPolarHBondContact O-CG 3.4Å
124	Q	37.4	Very low	40.9	Very low	58 Å²	58	72 Å²	72	27%	0.271	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-29.5	-166.1	-64.7	177.8	-93.7	0	0	115.6
125	E	42.1	Very low	40.8	Very low	169 Å²	169	72.1 Å²	72.1	79%	0.79	37%	0.367	S	S	*	.	H	α-helix	trans	-78.7	-40.6	-175.7	-69.8	179.8	130.3	0	0	113.4	Q123 Q127 T128	Q123-E125 PolarHBondContact O-N 2.7Å; E125-Q127 PolarHBondContact O-N 3.14Å; E125-T128 PolarHBondContact O-OG1 3.02Å
126	Q	37.4	Very low	40.9	Very low	141 Å²	141	73.9 Å²	73.9	66%	0.659	38%	0.377	S	S	*	.	H	α-helix	trans	-73.7	-17.2	178.1	-63.9	-175.3	12.7	0	0	112.6	V130	Q126-V130 WeakPolarHBondContact O-CG2 3.38Å
127	Q	35.7	Very low	41	Very low	38 Å²	38	73.6 Å²	73.6	18%	0.178	38%	0.378	C	S	.	.	H	α-helix	trans	-82.8	-25.3	-179.2	-78.2	-177.4	3.7	0	0	113.1	L118 Q123 E125 F131	L118-Q127 HydrophobicContact CD2-CB 3.57Å; L118-Q127 HydrophobicContact CD2-CG 3.82Å; L118-Q127 PolarHBondContact O-OE1 2.84Å; Q123-Q127 VanDerWaalsContact O-CG 3.28Å; Q123-Q127 WeakPolarHBondContact O-CG 3.4Å; E125-Q127 PolarHBondContact O-N 3.14Å; Q127-F131 PolarHBondContact O-N 3.15Å
128	T	37.7	Very low	41	Very low	52 Å²	52	76.1 Å²	76.1	32%	0.319	39%	0.39	S	S	.	.	H	α-helix	trans	-70.8	-39.4	171.4	30.3	0	0	0	0	113.1	E125 V130 F131 N132	E125-T128 PolarHBondContact O-OG1 3.02Å; T128-V130 VanDerWaalsContact C-N 3.33Å; T128-V130 PolarHBondContact O-N 3.05Å; T128-F131 PolarHBondContact O-N 3.33Å; T128-N132 PolarHBondContact O-N 3.26Å; T128-N132 PolarHBondContact O-ND2 2.77Å
129	D	40.1	Very low	41.2	Very low	74 Å²	74	76.2 Å²	76.2	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-51.9	-52.3	171.4	-84.2	21.6	0	0	0	111.3	K88 F131 N132 D133	K88-D129 IonicContact NZ-OD2 2.71Å; K88-D129 PolarHBondContact NZ-OD2 2.89Å; D129-F131 PolarHBondContact O-N 2.88Å; D129-N132 PolarHBondContact O-N 3.3Å; D129-D133 WeakPolarHBondContact O-CB 3.3Å; D129-D133 VanDerWaalsContact O-CG 3.28Å; D129-D133 PolarHBondContact O-N 2.76Å
130	V	40.8	Very low	41.4	Very low	30 Å²	30	77.5 Å²	77.5	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-57.1	-33.1	-176.9	163.7	0	0	0	0	112.3	F91 Q126 T128 C134	F91-V130 HydrophobicContact CD1-CG1 4.13Å; F91-V130 HydrophobicContact CD2-CG1 4.44Å; F91-V130 HydrophobicContact CE1-CB 4.32Å; F91-V130 HydrophobicContact CE1-CG1 3.56Å; F91-V130 HydrophobicContact CE2-CG1 3.94Å; F91-V130 HydrophobicContact CZ-CG1 3.47Å; F91-V130 VanDerWaalsContact CZ-CG1 3.47Å; Q126-V130 WeakPolarHBondContact O-CG2 3.38Å; T128-V130 VanDerWaalsContact C-N 3.33Å; T128-V130 PolarHBondContact O-N 3.05Å; V130-C134 WeakPolarHBondContact O-CB 3.44Å; V130-C134 PolarHBondContact O-N 3.11Å
131	F	39.5	Very low	41.4	Very low	52 Å²	52	76.4 Å²	76.4	23%	0.228	39%	0.392	C	S	.	.	H	α-helix	trans	-78.2	-42.2	174.2	-174.1	-93	0	0	0	112.3	Q127 T128 D129 C134 Y135 I224	Q127-F131 PolarHBondContact O-N 3.15Å; T128-F131 PolarHBondContact O-N 3.33Å; D129-F131 PolarHBondContact O-N 2.88Å; F131-C134 WeakPolarHBondContact O-CB 3.19Å; F131-C134 PolarHBondContact O-N 2.76Å; F131-Y135 WeakPolarHBondContact O-CB 3.01Å; F131-Y135 PolarHBondContact O-N 3.36Å; F131-I224 HydrophobicContact CE1-CG1 4.14Å; F131-I224 HydrophobicContact CE2-CG1 4.36Å; F131-I224 HydrophobicContact CZ-CG1 3.93Å; F131-I224 HydrophobicContact CZ-CG2 4.29Å
132	N	45.5	Very low	41.6	Very low	74 Å²	74	75.7 Å²	75.7	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-68.8	-39.7	179.6	-68	-21.4	0	0	0	112.6	T128 D129 C134 Y135 H136	T128-N132 PolarHBondContact O-N 3.26Å; T128-N132 PolarHBondContact O-ND2 2.77Å; D129-N132 PolarHBondContact O-N 3.3Å; N132-C134 VanDerWaalsContact C-N 3.29Å; N132-C134 PolarHBondContact O-N 2.98Å; N132-Y135 PolarHBondContact O-N 3.48Å; N132-H136 PolarHBondContact O-N 3.34Å
133	D	46.2	Very low	41.6	Very low	55 Å²	55	68.9 Å²	68.9	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-41.7	173.2	-71.8	-23.6	0	0	0	110.2	K88 D129 T137	K88-D133 WeakPolarHBondContact CE-OD2 3.41Å; K88-D133 IonicContact NZ-OD2 3.61Å; K88-D133 PolarHBondContact NZ-OD2 3.39Å; D129-D133 WeakPolarHBondContact O-CB 3.3Å; D129-D133 VanDerWaalsContact O-CG 3.28Å; D129-D133 PolarHBondContact O-N 2.76Å; D133-T137 WeakPolarHBondContact O-CB 3.37Å; D133-T137 PolarHBondContact O-N 2.77Å; D133-T137 PolarHBondContact O-OG1 3.5Å
134	C	44.2	Very low	41.6	Very low	35 Å²	35	66.9 Å²	66.9	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-67.7	-45.2	175.8	-169.6	0	0	0	0	112	V130 F131 N132 T137 I138	V130-C134 WeakPolarHBondContact O-CB 3.44Å; V130-C134 PolarHBondContact O-N 3.11Å; F131-C134 WeakPolarHBondContact O-CB 3.19Å; F131-C134 PolarHBondContact O-N 2.76Å; N132-C134 VanDerWaalsContact C-N 3.29Å; N132-C134 PolarHBondContact O-N 2.98Å; C134-T137 PolarHBondContact O-N 3.03Å; C134-I138 WeakPolarHBondContact O-CG1 3.47Å; C134-I138 PolarHBondContact O-N 2.9Å
135	Y	43.5	Very low	41.4	Very low	48 Å²	48	66 Å²	66	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-52.6	175.3	176.4	-95.3	0	0	0	111.5	F131 N132 T137 I138 D139 T227 F280	F131-Y135 WeakPolarHBondContact O-CB 3.01Å; F131-Y135 PolarHBondContact O-N 3.36Å; N132-Y135 PolarHBondContact O-N 3.48Å; Y135-T137 VanDerWaalsContact C-N 3.29Å; Y135-T137 PolarHBondContact O-N 3.19Å; Y135-I138 PolarHBondContact O-N 3.19Å; Y135-I138 VanDerWaalsContact O-N 3.14Å; Y135-D139 HydrophobicContact CE1-CB 4.36Å; Y135-D139 VanDerWaalsContact O-CB 3.31Å; Y135-D139 WeakPolarHBondContact O-CB 3.5Å; Y135-D139 PolarHBondContact O-N 3.39Å; Y135-T227 HydrophobicContact CE2-CG2 4.29Å; Y135-F280 AromaticContact CE1-CE1 3.92Å; Y135-F280 HydrophobicContact CE1-CE1 3.92Å; Y135-F280 AromaticContact CE1-CZ 3.7Å; Y135-F280 HydrophobicContact CE1-CZ 3.7Å; Y135-F280 WeakPolarHBondContact OH-CE1 3.34Å
136	H	48.2	Very low	41	Very low	73 Å²	73	63 Å²	63	34%	0.338	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-33.4	177.2	-83.7	-57.9	0	0	0	113.1	N132 N140	N132-H136 PolarHBondContact O-N 3.34Å; H136-N140 WeakPolarHBondContact O-CB 3.49Å; H136-N140 PolarHBondContact O-N 3.19Å; H136-N140 PolarHBondContact O-ND2 3.39Å; H136-N140 VanDerWaalsContact O-ND2 3.11Å
137	T	47.1	Very low	40.9	Very low	70 Å²	70	60.8 Å²	60.8	43%	0.429	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-42.9	174.5	-58.9	0	0	0	0	111.4	D133 C134 Y135 A141	D133-T137 WeakPolarHBondContact O-CB 3.37Å; D133-T137 PolarHBondContact O-N 2.77Å; D133-T137 PolarHBondContact O-OG1 3.5Å; C134-T137 PolarHBondContact O-N 3.03Å; Y135-T137 VanDerWaalsContact C-N 3.29Å; Y135-T137 PolarHBondContact O-N 3.19Å; T137-A141 WeakPolarHBondContact O-CB 3.28Å; T137-A141 PolarHBondContact O-N 3.21Å
138	I	41.4	Very low	40.9	Very low	69 Å²	69	64 Å²	64	35%	0.354	36%	0.362	S	S	.	.	H	α-helix	trans	-70.4	-44.3	177.8	-66.3	165.9	0	0	0	111.1	C134 Y135 A141 I142 F231	C134-I138 WeakPolarHBondContact O-CG1 3.47Å; C134-I138 PolarHBondContact O-N 2.9Å; Y135-I138 PolarHBondContact O-N 3.19Å; Y135-I138 VanDerWaalsContact O-N 3.14Å; I138-A141 PolarHBondContact O-N 2.93Å; I138-I142 HydrophobicContact CG2-CD1 3.91Å; I138-I142 WeakPolarHBondContact O-CG1 3.38Å; I138-I142 PolarHBondContact O-N 3.45Å; I138-F231 HydrophobicContact CG2-CE2 3.79Å
139	D	44.5	Very low	40.7	Very low	47 Å²	47	67.8 Å²	67.8	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-68.5	-37.3	-176.9	-160.3	37.2	0	0	0	112	Y135 I142 S143	Y135-D139 HydrophobicContact CE1-CB 4.36Å; Y135-D139 VanDerWaalsContact O-CB 3.31Å; Y135-D139 WeakPolarHBondContact O-CB 3.5Å; Y135-D139 PolarHBondContact O-N 3.39Å; D139-I142 PolarHBondContact O-N 3.13Å; D139-S143 VanDerWaalsContact O-CB 3.24Å; D139-S143 WeakPolarHBondContact O-CB 3.44Å; D139-S143 PolarHBondContact O-N 3.19Å; D139-S143 PolarHBondContact O-OG 2.94Å
140	N	46.6	Very low	40.1	Very low	100 Å²	100	71.2 Å²	71.2	54%	0.535	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-42.9	169.4	-74.3	-26.9	0	0	0	111.9	H136 I142 S143 T144	H136-N140 WeakPolarHBondContact O-CB 3.49Å; H136-N140 PolarHBondContact O-N 3.19Å; H136-N140 PolarHBondContact O-ND2 3.39Å; H136-N140 VanDerWaalsContact O-ND2 3.11Å; N140-I142 VanDerWaalsContact C-N 3.32Å; N140-I142 PolarHBondContact O-N 3Å; N140-S143 PolarHBondContact O-N 2.93Å; N140-T144 WeakPolarHBondContact O-CG2 3.36Å; N140-T144 PolarHBondContact O-N 3.43Å; N140-T144 PolarHBondContact O-OG1 3.36Å
141	A	39.5	Very low	39.7	Very low	38 Å²	38	74 Å²	74	31%	0.314	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-33.8	178.2	0	0	0	0	0	112.8	T137 I138 T144 I167	T137-A141 WeakPolarHBondContact O-CB 3.28Å; T137-A141 PolarHBondContact O-N 3.21Å; I138-A141 PolarHBondContact O-N 2.93Å; A141-T144 PolarHBondContact O-OG1 3.33Å; A141-T144 VanDerWaalsContact O-OG1 3.13Å; A141-I167 HydrophobicContact CB-CD1 4.37Å; A141-I167 WeakPolarHBondContact O-CD1 3.39Å
142	I	38.4	Very low	39	Very low	47 Å²	47	80.1 Å²	80.1	24%	0.241	46%	0.455	C	S	.	.	H	α-helix	trans	-73	-44	172.8	-69	169.1	0	0	0	110.2	I138 D139 N140 T144 T145 N146 F231	I138-I142 HydrophobicContact CG2-CD1 3.91Å; I138-I142 WeakPolarHBondContact O-CG1 3.38Å; I138-I142 PolarHBondContact O-N 3.45Å; D139-I142 PolarHBondContact O-N 3.13Å; N140-I142 VanDerWaalsContact C-N 3.32Å; N140-I142 PolarHBondContact O-N 3Å; I142-T144 VanDerWaalsContact C-N 3.33Å; I142-T144 PolarHBondContact O-N 3.47Å; I142-T145 PolarHBondContact O-N 3.28Å; I142-T145 PolarHBondContact O-OG1 2.87Å; I142-N146 PolarHBondContact O-N 3.5Å; I142-F231 HydrophobicContact CD1-CD2 4.43Å; I142-F231 HydrophobicContact CD1-CE2 3.46Å; I142-F231 VanDerWaalsContact CD1-CE2 3.46Å; I142-F231 HydrophobicContact CD1-CZ 3.77Å
143	S	40.3	Very low	38.2	Very low	53 Å²	53	83.4 Å²	83.4	37%	0.371	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-40.6	179.1	-65.7	0	0	0	0	112.8	D139 N140 T145 N146 T147	D139-S143 VanDerWaalsContact O-CB 3.24Å; D139-S143 WeakPolarHBondContact O-CB 3.44Å; D139-S143 PolarHBondContact O-N 3.19Å; D139-S143 PolarHBondContact O-OG 2.94Å; N140-S143 PolarHBondContact O-N 2.93Å; S143-T145 VanDerWaalsContact C-N 3.32Å; S143-T145 PolarHBondContact O-N 2.76Å; S143-N146 PolarHBondContact O-N 3.23Å; S143-T147 PolarHBondContact O-N 3.21Å; S143-T147 PolarHBondContact O-OG1 3.43Å
144	T	37.5	Very low	37.2	Very low	81 Å²	81	85.4 Å²	85.4	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-26.1	175.5	53.6	0	0	0	0	113.5	N140 A141 I142 T148	N140-T144 WeakPolarHBondContact O-CG2 3.36Å; N140-T144 PolarHBondContact O-N 3.43Å; N140-T144 PolarHBondContact O-OG1 3.36Å; A141-T144 PolarHBondContact O-OG1 3.33Å; A141-T144 VanDerWaalsContact O-OG1 3.13Å; I142-T144 VanDerWaalsContact C-N 3.33Å; I142-T144 PolarHBondContact O-N 3.47Å; T144-T148 WeakPolarHBondContact O-CB 3.25Å; T144-T148 VanDerWaalsContact O-CG2 3.25Å; T144-T148 WeakPolarHBondContact O-CG2 3.34Å; T144-T148 PolarHBondContact O-N 3.35Å; T144-T148 PolarHBondContact O-OG1 3.42Å
145	T	33.6	Very low	36.4	Very low	39 Å²	39	88.3 Å²	88.3	24%	0.239	51%	0.51	C	S	.	.	H	α-helix	trans	-75	-24.7	171.2	59.2	0	0	0	0	114.1	I142 S143 N149 I167	I142-T145 PolarHBondContact O-N 3.28Å; I142-T145 PolarHBondContact O-OG1 2.87Å; S143-T145 VanDerWaalsContact C-N 3.32Å; S143-T145 PolarHBondContact O-N 2.76Å; T145-N149 PolarHBondContact O-ND2 3.05Å; T145-I167 HydrophobicContact CG2-CD1 3.45Å; T145-I167 VanDerWaalsContact CG2-CD1 3.45Å
146	N	34	Very low	35.5	Very low	108 Å²	108	94.7 Å²	94.7	58%	0.578	54%	0.541	S	S	*	.	H	α-helix	trans	-83	-32.8	178.2	-73.1	-35.8	0	0	0	112.9	I142 S143	I142-N146 PolarHBondContact O-N 3.5Å; S143-N146 PolarHBondContact O-N 3.23Å
147	T	34.1	Very low	34.5	Very low	93 Å²	93	98 Å²	98	57%	0.571	56%	0.561	S	S	*	*	H	α-helix	trans	-83.3	-31.6	-178.2	51.7	0	0	0	0	113.9	S143 N149 N150	S143-T147 PolarHBondContact O-N 3.21Å; S143-T147 PolarHBondContact O-OG1 3.43Å; T147-N149 PolarHBondContact O-N 3Å; T147-N149 VanDerWaalsContact O-N 3.12Å; T147-N150 PolarHBondContact O-N 3.07Å
148	T	35.2	Very low	33.5	Very low	106 Å²	106	102.1 Å²	102.1	65%	0.65	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-8.1	-174.3	41.9	0	0	0	0	115.5	T144	T144-T148 WeakPolarHBondContact O-CB 3.25Å; T144-T148 VanDerWaalsContact O-CG2 3.25Å; T144-T148 WeakPolarHBondContact O-CG2 3.34Å; T144-T148 PolarHBondContact O-N 3.35Å; T144-T148 PolarHBondContact O-OG1 3.42Å
149	N	34.6	Very low	32.8	Very low	132 Å²	132	109.4 Å²	109.4	71%	0.706	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-1.8	178.5	-74.2	-67.7	0	0	0	114.5	T145 T147	T145-N149 PolarHBondContact O-ND2 3.05Å; T147-N149 PolarHBondContact O-N 3Å; T147-N149 VanDerWaalsContact O-N 3.12Å
150	N	28	Very low	32	Very low	145 Å²	145	113.4 Å²	113.4	78%	0.775	62%	0.624	S	S	*	*	S	Bend	trans	-150.8	67.8	-175.6	-95.2	-39.4	0	0	0	114	T147	T147-N150 PolarHBondContact O-N 3.07Å
151	S	31.5	Very low	31	Very low	89 Å²	89	116.2 Å²	116.2	62%	0.622	64%	0.639	S	S	*	*			trans	178.6	145.2	141.6	43.7	0	0	0	0	112.8	I153	S151-I153 PolarHBondContact O-N 3.32Å
152	N	25.6	Very low	30.5	Very low	180 Å²	180	120.1 Å²	120.1	96%	0.963	65%	0.646	S	S	*	*			trans	-80.5	94.2	165.4	-74	-40.5	0	0	0	108.9
153	I	28.4	Very low	30.2	Very low	144 Å²	144	124.2 Å²	124.2	74%	0.738	67%	0.669	S	S	*	*			trans	-118.5	126	171.9	-62.8	-178.7	0	0	0	109.8	S151	S151-I153 PolarHBondContact O-N 3.32Å
154	S	25.4	Very low	29.6	Very low	96 Å²	96	127.7 Å²	127.7	67%	0.671	68%	0.682	S	S	*	*			trans	-81.2	147.3	179.7	173	0	0	0	0	111.8
155	S	27	Very low	29.1	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	68%	0.682	S	S	*	*	S	Bend	trans	59	122.9	150.4	52	0	0	0	0	119.8
156	H	24.9	Very low	29	Very low	182 Å²	182	128.7 Å²	128.7	84%	0.843	69%	0.687	S	S	*	*			trans	62.4	116.1	176.4	-75.6	9.7	0	0	0	113.1
157	D	27	Very low	28.9	Very low	144 Å²	144	125.4 Å²	125.4	77%	0.77	67%	0.669	S	S	*	*			cis	-147.3	166.6	49.8	-86.1	-40.1	0	0	0	114.6	Y159	D157-Y159 PolarHBondContact O-N 3.37Å
158	N	25.6	Very low	28.9	Very low	155 Å²	155	126.1 Å²	126.1	83%	0.829	67%	0.666	S	S	*	*			trans	-81.6	98.1	-178.5	-71.2	-41.9	0	0	0	112.8
159	Y	26.5	Very low	28.8	Very low	223 Å²	223	125.9 Å²	125.9	88%	0.875	66%	0.66	S	S	*	*			trans	-131.6	150.6	163.6	-96.9	-87.7	0	0	0	113.3	D157 N161	D157-Y159 PolarHBondContact O-N 3.37Å; Y159-N161 PolarHBondContact O-N 2.91Å
160	M	28.8	Very low	28.8	Very low	130 Å²	130	123.4 Å²	123.4	64%	0.64	65%	0.646	S	S	*	*			trans	-59.3	127.8	-162.6	-72.1	-69.7	176.8	0	0	114.5	Y162	M160-Y162 VanDerWaalsContact C-N 3.29Å; M160-Y162 HydrophobicContact CB-CD2 3.64Å; M160-Y162 HydrophobicContact CB-CE2 3.37Å; M160-Y162 HydrophobicContact CB-CG 4.48Å; M160-Y162 HydrophobicContact CG-CE2 4.09Å; M160-Y162 PolarHBondContact O-N 3.5Å
161	N	25.5	Very low	29.1	Very low	159 Å²	159	118 Å²	118	85%	0.85	62%	0.618	S	S	*	*			trans	-75	75.6	172.8	-170.5	10.9	0	0	0	110.9	Y159	Y159-N161 PolarHBondContact O-N 2.91Å
162	Y	29.4	Very low	29.3	Very low	121 Å²	121	116.6 Å²	116.6	48%	0.475	60%	0.604	S	S	.	*			trans	-71.3	130.5	-178.9	-81.1	-74.4	0	0	0	112.1	N96 T100 M160 I164	N96-Y162 PolarHBondContact OD1-OH 3.49Å; T100-Y162 HydrophobicContact CG2-CD1 4.41Å; T100-Y162 HydrophobicContact CG2-CE1 3.96Å; M160-Y162 VanDerWaalsContact C-N 3.29Å; M160-Y162 HydrophobicContact CB-CD2 3.64Å; M160-Y162 HydrophobicContact CB-CE2 3.37Å; M160-Y162 HydrophobicContact CB-CG 4.48Å; M160-Y162 HydrophobicContact CG-CE2 4.09Å; M160-Y162 PolarHBondContact O-N 3.5Å; Y162-I164 PolarHBondContact O-N 3.14Å
163	N	31	Very low	29.9	Very low	133 Å²	133	109.5 Å²	109.5	71%	0.711	56%	0.564	S	S	*	*			trans	-65.4	115.7	-169.3	-115.1	-38.5	0	0	0	113	P165 N166	N163-P165 VanDerWaalsContact C-N 3.32Å; N163-P165 WeakPolarHBondContact O-CD 3.16Å; N163-P165 VanDerWaalsContact O-N 3.11Å; N163-N166 PolarHBondContact O-N 3.44Å
164	I	26.9	Very low	30.1	Very low	125 Å²	125	104 Å²	104	64%	0.641	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-33.9	-174.9	-66.2	161.6	0	0	0	115.5	Y162 N166	Y162-I164 PolarHBondContact O-N 3.14Å; I164-N166 PolarHBondContact O-N 3.08Å
165	P	27	Very low	30.8	Very low	79 Å²	79	104.6 Å²	104.6	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-60.3	-33.9	-179.5	-27.9	36.9	0	0	0	116	N163 I167 H168 N169	N163-P165 VanDerWaalsContact C-N 3.32Å; N163-P165 WeakPolarHBondContact O-CD 3.16Å; N163-P165 VanDerWaalsContact O-N 3.11Å; P165-I167 PolarHBondContact O-N 2.97Å; P165-H168 PolarHBondContact O-N 3.4Å; P165-N169 PolarHBondContact O-N 3.33Å
166	N	32.1	Very low	31.5	Very low	63 Å²	63	102.7 Å²	102.7	34%	0.337	51%	0.512	S	S	.	.	H	α-helix	trans	-67.1	-37.6	-173.8	-85.6	6.7	0	0	0	112.4	A99 N163 I164 H168 N169 I170	A99-N166 PolarHBondContact O-ND2 3.36Å; N163-N166 PolarHBondContact O-N 3.44Å; I164-N166 PolarHBondContact O-N 3.08Å; N166-H168 VanDerWaalsContact C-N 3.32Å; N166-H168 PolarHBondContact O-N 3.19Å; N166-N169 PolarHBondContact O-N 3.44Å; N166-I170 WeakPolarHBondContact O-CG1 3.4Å; N166-I170 PolarHBondContact O-N 3.3Å
167	I	31.7	Very low	32.5	Very low	38 Å²	38	100.7 Å²	100.7	20%	0.195	51%	0.508	C	S	.	.	H	α-helix	trans	-65.6	-38.5	177.7	-68.7	170.4	0	0	0	109.9	A141 T145 P165 N169 I170 V171	A141-I167 HydrophobicContact CB-CD1 4.37Å; A141-I167 WeakPolarHBondContact O-CD1 3.39Å; T145-I167 HydrophobicContact CG2-CD1 3.45Å; T145-I167 VanDerWaalsContact CG2-CD1 3.45Å; P165-I167 PolarHBondContact O-N 2.97Å; I167-N169 VanDerWaalsContact C-N 3.28Å; I167-N169 PolarHBondContact O-N 2.9Å; I167-I170 PolarHBondContact O-N 3.33Å; I167-V171 HydrophobicContact CG2-CG2 4.17Å; I167-V171 WeakPolarHBondContact O-CB 3.21Å; I167-V171 WeakPolarHBondContact O-CG2 3.47Å; I167-V171 PolarHBondContact O-N 2.86Å
168	H	33.7	Very low	33.5	Very low	109 Å²	109	97.8 Å²	97.8	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-32.4	174.9	-160.7	-36.1	0	0	0	112.7	P165 N166 N172	P165-H168 PolarHBondContact O-N 3.4Å; N166-H168 VanDerWaalsContact C-N 3.32Å; N166-H168 PolarHBondContact O-N 3.19Å; H168-N172 PolarHBondContact CE1-ND2 3.25Å; H168-N172 PolarHBondContact CE1-OD1 3.39Å; H168-N172 PolarHBondContact ND1-ND2 3.28Å; H168-N172 VanDerWaalsContact ND1-ND2 3.13Å; H168-N172 PolarHBondContact ND1-OD1 3.05Å; H168-N172 WeakPolarHBondContact O-CB 3.29Å; H168-N172 PolarHBondContact O-N 3.18Å; H168-N172 PolarHBondContact O-ND2 3.47Å; H168-N172 PolarHBondContact O-OD1 2.92Å
169	N	34.8	Very low	34.6	Very low	100 Å²	100	91.5 Å²	91.5	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-72.1	-45.8	175.6	-70.4	-23	0	0	0	112.2	P165 N166 I167 V171 N172 Y173	P165-N169 PolarHBondContact O-N 3.33Å; N166-N169 PolarHBondContact O-N 3.44Å; I167-N169 VanDerWaalsContact C-N 3.28Å; I167-N169 PolarHBondContact O-N 2.9Å; N169-V171 VanDerWaalsContact C-N 3.26Å; N169-V171 PolarHBondContact O-N 2.8Å; N169-N172 PolarHBondContact O-N 3.29Å; N169-Y173 WeakPolarHBondContact O-CB 3.27Å; N169-Y173 PolarHBondContact O-N 3.47Å
170	I	32.9	Very low	35.5	Very low	80 Å²	80	84 Å²	84	41%	0.41	43%	0.434	S	S	.	.	H	α-helix	trans	-58.7	-42.1	172.9	-65.6	165.6	0	0	0	110	N166 I167 Y173 L174	N166-I170 WeakPolarHBondContact O-CG1 3.4Å; N166-I170 PolarHBondContact O-N 3.3Å; I167-I170 PolarHBondContact O-N 3.33Å; I170-Y173 PolarHBondContact O-N 2.77Å; I170-L174 HydrophobicContact CG2-CD1 3.77Å; I170-L174 WeakPolarHBondContact O-CB 3.49Å; I170-L174 VanDerWaalsContact O-CG 3.29Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 2.86Å
171	V	35.1	Very low	36.5	Very low	32 Å²	32	82.1 Å²	82.1	19%	0.194	42%	0.424	C	S	.	.	H	α-helix	trans	-62.5	-42.2	174.8	153.6	0	0	0	0	112.4	I167 N169 L174 Q175 Y235	I167-V171 HydrophobicContact CG2-CG2 4.17Å; I167-V171 WeakPolarHBondContact O-CB 3.21Å; I167-V171 WeakPolarHBondContact O-CG2 3.47Å; I167-V171 PolarHBondContact O-N 2.86Å; N169-V171 VanDerWaalsContact C-N 3.26Å; N169-V171 PolarHBondContact O-N 2.8Å; V171-L174 CarbonylContact O-C 3.57Å; V171-Q175 PolarHBondContact O-N 3.03Å; V171-Y235 HydrophobicContact CB-CE2 3.9Å; V171-Y235 HydrophobicContact CG1-CE2 3.58Å; V171-Y235 HydrophobicContact CG2-CD2 4.34Å; V171-Y235 HydrophobicContact CG2-CE2 4.04Å; V171-Y235 WeakPolarHBondContact O-CE2 3.26Å; V171-Y235 VanDerWaalsContact O-CZ 3.22Å; V171-Y235 PolarHBondContact O-OH 3.26Å
172	N	36.6	Very low	37.4	Very low	59 Å²	59	76.3 Å²	76.3	32%	0.316	39%	0.393	S	S	.	.	H	α-helix	trans	-71.7	-36.8	177.2	-73	-13.3	0	0	0	111.9	H168 N169 L174 Q175	H168-N172 PolarHBondContact CE1-ND2 3.25Å; H168-N172 PolarHBondContact CE1-OD1 3.39Å; H168-N172 PolarHBondContact ND1-ND2 3.28Å; H168-N172 VanDerWaalsContact ND1-ND2 3.13Å; H168-N172 PolarHBondContact ND1-OD1 3.05Å; H168-N172 WeakPolarHBondContact O-CB 3.29Å; H168-N172 PolarHBondContact O-N 3.18Å; H168-N172 PolarHBondContact O-ND2 3.47Å; H168-N172 PolarHBondContact O-OD1 2.92Å; N169-N172 PolarHBondContact O-N 3.29Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-Q175 WeakPolarHBondContact O-CB 3.18Å; N172-Q175 PolarHBondContact O-N 3.38Å
173	Y	37.5	Very low	38.3	Very low	31 Å²	31	74 Å²	74	12%	0.122	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-43.7	174.8	-174.3	-92	0	0	0	111.1	E104 L108 N169 I170 Q175 T176 H178	E104-Y173 HydrophobicContact CG-CD2 3.74Å; E104-Y173 HydrophobicContact CG-CE2 4.01Å; E104-Y173 WeakPolarHBondContact OE1-CD2 3.26Å; E104-Y173 VanDerWaalsContact OE1-CE2 3.31Å; E104-Y173 WeakPolarHBondContact OE1-CE2 3.4Å; L108-Y173 HydrophobicContact CD1-CE1 4.46Å; L108-Y173 HydrophobicContact CD1-CE2 3.93Å; L108-Y173 WeakPolarHBondContact CD1-OH 3.48Å; L108-Y173 HydrophobicContact CD2-CE1 3.77Å; L108-Y173 WeakPolarHBondContact CD2-OH 3.29Å; L108-Y173 HydrophobicContact CG-CE1 4.45Å; N169-Y173 WeakPolarHBondContact O-CB 3.27Å; N169-Y173 PolarHBondContact O-N 3.47Å; I170-Y173 PolarHBondContact O-N 2.77Å; Y173-Q175 PolarHBondContact O-N 2.94Å; Y173-T176 WeakPolarHBondContact O-CB 3.39Å; Y173-T176 PolarHBondContact O-N 3.16Å; Y173-T176 PolarHBondContact O-OG1 2.98Å; Y173-H178 WeakPolarHBondContact OH-CB 3.37Å; Y173-H178 PolarHBondContact OH-CD2 3.17Å; Y173-H178 VanDerWaalsContact OH-CD2 3.25Å; Y173-H178 VanDerWaalsContact OH-CG 3.3Å
174	L	33.1	Very low	39.2	Very low	30 Å²	30	71.4 Å²	71.4	16%	0.157	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	20.3	171.5	-63	166.8	0	0	0	113.2	I170 V171 N172 W179 F231 Y235	I170-L174 HydrophobicContact CG2-CD1 3.77Å; I170-L174 WeakPolarHBondContact O-CB 3.49Å; I170-L174 VanDerWaalsContact O-CG 3.29Å; I170-L174 WeakPolarHBondContact O-CG 3.45Å; I170-L174 PolarHBondContact O-N 2.86Å; V171-L174 CarbonylContact O-C 3.57Å; N172-L174 VanDerWaalsContact C-N 3.34Å; L174-W179 HydrophobicContact CB-CZ2 4.06Å; L174-W179 HydrophobicContact CD2-CH2 4.21Å; L174-W179 HydrophobicContact CD2-CZ2 3.84Å; L174-W179 HydrophobicContact CG-CZ2 4.45Å; L174-W179 PolarHBondContact O-NE1 3.48Å; L174-F231 HydrophobicContact CD1-CD1 4.36Å; L174-F231 HydrophobicContact CD1-CE1 3.42Å; L174-F231 VanDerWaalsContact CD1-CE1 3.42Å; L174-F231 HydrophobicContact CD1-CZ 3.64Å; L174-F231 HydrophobicContact CG-CE1 4.48Å; L174-Y235 HydrophobicContact CB-CE2 4.44Å
175	Q	39.4	Very low	40	Very low	108 Å²	108	67.7 Å²	67.7	51%	0.505	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.5	164.2	-142.6	170.9	-12.6	0	0	113.1	V171 N172 Y173 Y235	V171-Q175 PolarHBondContact O-N 3.03Å; N172-Q175 WeakPolarHBondContact O-CB 3.18Å; N172-Q175 PolarHBondContact O-N 3.38Å; Y173-Q175 PolarHBondContact O-N 2.94Å; Q175-Y235 VanDerWaalsContact CB-OH 3.27Å; Q175-Y235 WeakPolarHBondContact CB-OH 2.93Å; Q175-Y235 HydrophobicContact CG-CE1 4.29Å; Q175-Y235 VanDerWaalsContact CG-OH 3.29Å; Q175-Y235 WeakPolarHBondContact CG-OH 3.35Å; Q175-Y235 PolarHBondContact OE1-OH 2.96Å
176	T	43.1	Very low	40.8	Very low	55 Å²	55	64.2 Å²	64.2	34%	0.337	33%	0.333	S	S	.	.	S	Bend	trans	-90.3	161.6	-180	67.3	0	0	0	0	112.5	Y173 H178 W179	Y173-T176 WeakPolarHBondContact O-CB 3.39Å; Y173-T176 PolarHBondContact O-N 3.16Å; Y173-T176 PolarHBondContact O-OG1 2.98Å; T176-H178 PolarHBondContact O-N 3.13Å; T176-H178 PolarHBondContact OG1-CD2 3.32Å; T176-W179 PolarHBondContact O-N 3.17Å
177	D	44.5	Very low	41.4	Very low	141 Å²	141	64 Å²	64	75%	0.754	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.7	-175.8	-67.6	-57.1	0	0	0	115.1	W179 S180	D177-W179 PolarHBondContact O-N 3.32Å; D177-W179 VanDerWaalsContact O-N 3.11Å; D177-S180 WeakPolarHBondContact O-CB 3.46Å; D177-S180 PolarHBondContact O-N 3.38Å; D177-S180 PolarHBondContact O-OG 3.15Å
178	H	47.5	Very low	42	Very low	82 Å²	82	68.3 Å²	68.3	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-12.5	175.1	-67.7	-72.9	0	0	0	114	Y173 T176 S180 E181 L182	Y173-H178 WeakPolarHBondContact OH-CB 3.37Å; Y173-H178 PolarHBondContact OH-CD2 3.17Å; Y173-H178 VanDerWaalsContact OH-CD2 3.25Å; Y173-H178 VanDerWaalsContact OH-CG 3.3Å; T176-H178 PolarHBondContact O-N 3.13Å; T176-H178 PolarHBondContact OG1-CD2 3.32Å; H178-S180 PolarHBondContact O-N 3Å; H178-E181 IonicContact CE1-OE2 2.86Å; H178-E181 IonicContact ND1-OE2 2.78Å; H178-E181 PolarHBondContact ND1-OE2 2.98Å; H178-E181 WeakPolarHBondContact O-CA 3.42Å; H178-E181 WeakPolarHBondContact O-CB 3.49Å; H178-E181 PolarHBondContact O-N 2.64Å; H178-L182 PolarHBondContact O-N 3.12Å
179	W	48.9	Very low	42.4	Very low	23 Å²	23	67.2 Å²	67.2	9%	0.087	35%	0.346	C	S	.	.	H	α-helix	trans	-49.9	-40.5	161.2	-84	113.2	0	0	0	112.6	L174 T176 D177 E181 L182 L183 L228 F231 K232	L174-W179 HydrophobicContact CB-CZ2 4.06Å; L174-W179 HydrophobicContact CD2-CH2 4.21Å; L174-W179 HydrophobicContact CD2-CZ2 3.84Å; L174-W179 HydrophobicContact CG-CZ2 4.45Å; L174-W179 PolarHBondContact O-NE1 3.48Å; T176-W179 PolarHBondContact O-N 3.17Å; D177-W179 PolarHBondContact O-N 3.32Å; D177-W179 VanDerWaalsContact O-N 3.11Å; W179-E181 VanDerWaalsContact C-N 3.29Å; W179-E181 PolarHBondContact O-N 3.42Å; W179-L182 PolarHBondContact O-N 2.86Å; W179-L183 HydrophobicContact CE3-CD1 4.34Å; W179-L183 WeakPolarHBondContact O-CD1 3.18Å; W179-L183 PolarHBondContact O-N 3.43Å; W179-L228 HydrophobicContact CZ3-CB 4.33Å; W179-L228 HydrophobicContact CZ3-CD2 4.09Å; W179-F231 AromaticContact CH2-CD1 3.84Å; W179-F231 HydrophobicContact CH2-CD1 3.84Å; W179-F231 HydrophobicContact CZ2-CD1 4.08Å; W179-K232 HydrophobicContact CD2-CD 4.34Å; W179-K232 HydrophobicContact CH2-CB 4Å; W179-K232 HydrophobicContact CZ2-CB 3.99Å; W179-K232 HydrophobicContact CZ2-CG 4.21Å; W179-K232 HydrophobicContact CZ3-CB 4.4Å
180	S	46.1	Very low	42.5	Very low	65 Å²	65	64.7 Å²	64.7	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-36.3	177.7	-46.5	0	0	0	0	111.2	D177 H178 N184	D177-S180 WeakPolarHBondContact O-CB 3.46Å; D177-S180 PolarHBondContact O-N 3.38Å; D177-S180 PolarHBondContact O-OG 3.15Å; H178-S180 PolarHBondContact O-N 3Å; S180-N184 WeakPolarHBondContact O-CB 3.43Å; S180-N184 VanDerWaalsContact O-CG 3.26Å; S180-N184 PolarHBondContact O-N 3.2Å; S180-N184 PolarHBondContact O-ND2 3.39Å
181	E	50.1	Low	42.8	Very low	92 Å²	92	65.1 Å²	65.1	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-72.4	-43.3	177.9	-165.8	175.3	178	0	0	111.2	H178 W179 N184 L185	H178-E181 IonicContact CE1-OE2 2.86Å; H178-E181 IonicContact ND1-OE2 2.78Å; H178-E181 PolarHBondContact ND1-OE2 2.98Å; H178-E181 WeakPolarHBondContact O-CA 3.42Å; H178-E181 WeakPolarHBondContact O-CB 3.49Å; H178-E181 PolarHBondContact O-N 2.64Å; W179-E181 VanDerWaalsContact C-N 3.29Å; W179-E181 PolarHBondContact O-N 3.42Å; E181-N184 PolarHBondContact O-N 3.24Å; E181-L185 VanDerWaalsContact O-CG 3.32Å; E181-L185 WeakPolarHBondContact O-CG 3.39Å; E181-L185 PolarHBondContact O-N 3.4Å
182	L	43.6	Very low	42.8	Very low	37 Å²	37	67.9 Å²	67.9	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-60.8	-49.4	174.1	-78.1	166.8	0	0	0	112.3	F111 H178 W179 N184 L185 T186	F111-L182 HydrophobicContact CD1-CD2 4.2Å; F111-L182 HydrophobicContact CE1-CD2 3.76Å; H178-L182 PolarHBondContact O-N 3.12Å; W179-L182 PolarHBondContact O-N 2.86Å; L182-N184 VanDerWaalsContact C-N 3.33Å; L182-N184 PolarHBondContact O-N 3.12Å; L182-L185 PolarHBondContact O-N 3.41Å; L182-T186 PolarHBondContact O-N 3.32Å
183	L	49.1	Very low	42.5	Very low	71 Å²	71	74 Å²	74	37%	0.372	39%	0.387	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175.3	-95.8	75.8	0	0	0	111.3	W179 L185 T186 T187	W179-L183 HydrophobicContact CE3-CD1 4.34Å; W179-L183 WeakPolarHBondContact O-CD1 3.18Å; W179-L183 PolarHBondContact O-N 3.43Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.24Å; L183-T186 PolarHBondContact O-N 3.32Å; L183-T186 PolarHBondContact O-OG1 3.07Å; L183-T187 PolarHBondContact O-N 3.33Å; L183-T187 PolarHBondContact O-OG1 3.17Å
184	N	50.5	Low	42.2	Very low	79 Å²	79	77.8 Å²	77.8	42%	0.422	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-27.6	178.2	-82.8	-52.6	0	0	0	113.9	S180 E181 L182 T187 K188	S180-N184 WeakPolarHBondContact O-CB 3.43Å; S180-N184 VanDerWaalsContact O-CG 3.26Å; S180-N184 PolarHBondContact O-N 3.2Å; S180-N184 PolarHBondContact O-ND2 3.39Å; E181-N184 PolarHBondContact O-N 3.24Å; L182-N184 VanDerWaalsContact C-N 3.33Å; L182-N184 PolarHBondContact O-N 3.12Å; N184-T187 WeakPolarHBondContact CA-OG1 3.32Å; N184-T187 PolarHBondContact O-OG1 3.47Å; N184-K188 VanDerWaalsContact O-CB 3.3Å; N184-K188 WeakPolarHBondContact O-CB 3.44Å; N184-K188 WeakPolarHBondContact O-CD 3.41Å; N184-K188 WeakPolarHBondContact O-CG 3.46Å; N184-K188 PolarHBondContact O-N 2.82Å; N184-K188 VanDerWaalsContact O-N 3.07Å
185	L	43.4	Very low	42.1	Very low	47 Å²	47	84.1 Å²	84.1	25%	0.246	45%	0.448	C	S	.	.	H	α-helix	trans	-68.5	-36.9	170.1	-74.7	164.6	0	0	0	111.2	Y115 E181 L182 L183 H189	Y115-L185 HydrophobicContact CE1-CB 4.19Å; Y115-L185 PolarHBondContact OH-O 3.47Å; Y115-L185 VanDerWaalsContact OH-O 3.08Å; E181-L185 VanDerWaalsContact O-CG 3.32Å; E181-L185 WeakPolarHBondContact O-CG 3.39Å; E181-L185 PolarHBondContact O-N 3.4Å; L182-L185 PolarHBondContact O-N 3.41Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.24Å; L185-H189 PolarHBondContact O-CD2 2.88Å
186	T	42.4	Very low	41.6	Very low	7 Å²	7	86.7 Å²	86.7	4%	0.043	46%	0.46	C	S	.	.	H	α-helix	trans	-69.1	-39.9	173.4	76.5	0	0	0	0	112.9	Y115 L182 L183 I224 R225 L228	Y115-T186 WeakPolarHBondContact OH-CA 3.36Å; L182-T186 PolarHBondContact O-N 3.32Å; L183-T186 PolarHBondContact O-N 3.32Å; L183-T186 PolarHBondContact O-OG1 3.07Å; T186-I224 HydrophobicContact CG2-CG2 4.28Å; T186-R225 HydrophobicContact CG2-CG 4.43Å; T186-R225 PolarHBondContact O-NH2 2.82Å; T186-R225 WeakPolarHBondContact OG1-CG 3.15Å; T186-R225 PolarHBondContact OG1-NE 3.21Å; T186-R225 VanDerWaalsContact OG1-NE 3.11Å; T186-L228 HydrophobicContact CG2-CD1 4.32Å
187	T	44.9	Very low	41.1	Very low	58 Å²	58	89.5 Å²	89.5	36%	0.356	48%	0.479	S	S	.	.	H	α-helix	trans	-76.1	-40.1	-176.1	53.2	0	0	0	0	112.7	L183 N184 H189 S190 S191	L183-T187 PolarHBondContact O-N 3.33Å; L183-T187 PolarHBondContact O-OG1 3.17Å; N184-T187 WeakPolarHBondContact CA-OG1 3.32Å; N184-T187 PolarHBondContact O-OG1 3.47Å; T187-H189 VanDerWaalsContact C-N 3.3Å; T187-H189 PolarHBondContact O-N 3.39Å; T187-S190 PolarHBondContact O-N 3.01Å; T187-S190 PolarHBondContact O-OG 3.17Å; T187-S191 PolarHBondContact O-N 3.01Å; T187-S191 PolarHBondContact O-OG 2.74Å
188	K	45.4	Very low	40.6	Very low	129 Å²	129	88.2 Å²	88.2	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-58.7	-39.9	177.8	-75.7	172	-178.5	176.6	0	112.5	N184 S191 S192	N184-K188 VanDerWaalsContact O-CB 3.3Å; N184-K188 WeakPolarHBondContact O-CB 3.44Å; N184-K188 WeakPolarHBondContact O-CD 3.41Å; N184-K188 WeakPolarHBondContact O-CG 3.46Å; N184-K188 PolarHBondContact O-N 2.82Å; N184-K188 VanDerWaalsContact O-N 3.07Å; K188-S191 WeakPolarHBondContact CA-OG 3.33Å; K188-S191 PolarHBondContact O-N 2.99Å; K188-S191 PolarHBondContact O-OG 2.99Å; K188-S192 PolarHBondContact O-OG 2.94Å
189	H	41.2	Very low	40	Very low	85 Å²	85	89.9 Å²	89.9	39%	0.394	50%	0.502	S	S	.	.	H	α-helix	trans	-71.9	-29.2	179	-83.6	-89.1	0	0	0	113.8	L185 T187	L185-H189 PolarHBondContact O-CD2 2.88Å; T187-H189 VanDerWaalsContact C-N 3.3Å; T187-H189 PolarHBondContact O-N 3.39Å
190	S	38.2	Very low	39.1	Very low	48 Å²	48	94.7 Å²	94.7	34%	0.336	54%	0.539	S	S	.	.	H	α-helix	trans	-76.9	-22.8	173	58.1	0	0	0	0	114.1	T187 R225	T187-S190 PolarHBondContact O-N 3.01Å; T187-S190 PolarHBondContact O-OG 3.17Å; S190-R225 PolarHBondContact OG-NH2 2.8Å
191	S	38.2	Very low	38.6	Very low	88 Å²	88	97.3 Å²	97.3	62%	0.615	56%	0.558	S	S	*	*	S	Bend	trans	-88.9	-7.2	-176	54.3	0	0	0	0	115.3	T187 K188	T187-S191 PolarHBondContact O-N 3.01Å; T187-S191 PolarHBondContact O-OG 2.74Å; K188-S191 WeakPolarHBondContact CA-OG 3.33Å; K188-S191 PolarHBondContact O-N 2.99Å; K188-S191 PolarHBondContact O-OG 2.99Å
192	S	35.2	Very low	37.7	Very low	90 Å²	90	97.8 Å²	97.8	63%	0.629	57%	0.571	S	S	*	*			trans	-96.2	10.5	-166.2	-74.8	0	0	0	0	116.4	K188	K188-S192 PolarHBondContact O-OG 2.94Å
193	Y	30.7	Very low	37.2	Very low	187 Å²	187	103.4 Å²	103.4	73%	0.733	60%	0.601	S	S	*	*	S	Bend	trans	-101.9	113.9	169.4	-82.3	-80.9	0	0	0	111.1	I195	Y193-I195 PolarHBondContact O-N 2.89Å
194	P	29.9	Very low	36.3	Very low	112 Å²	112	104.7 Å²	104.7	73%	0.727	62%	0.615	S	S	*	*			trans	-73.4	111.6	179.9	28.7	-33.1	0	0	0	110.8	Q196	P194-Q196 PolarHBondContact O-N 3.11Å
195	I	31.2	Very low	35.3	Very low	163 Å²	163	106.3 Å²	106.3	84%	0.836	63%	0.633	S	S	*	*			trans	-70.5	101.1	173.8	-58.6	173.9	0	0	0	108.6	Y193	Y193-I195 PolarHBondContact O-N 2.89Å
196	Q	29.8	Very low	34.6	Very low	161 Å²	161	110 Å²	110	75%	0.752	66%	0.662	S	S	*	*			trans	-70.2	123.6	168	-79	-76.5	-48.9	0	0	109.4	P194 S198	P194-Q196 PolarHBondContact O-N 3.11Å; Q196-S198 PolarHBondContact O-N 3.47Å
197	P	31.7	Very low	33.9	Very low	114 Å²	114	115 Å²	115	74%	0.74	70%	0.698	S	S	*	*			trans	-75.6	93.4	176.6	30.4	-33.2	0	0	0	110.1	S199	P197-S199 PolarHBondContact O-N 2.95Å
198	S	34.1	Very low	33.1	Very low	115 Å²	115	117.3 Å²	117.3	80%	0.804	72%	0.716	S	S	*	*			trans	-69.1	99.8	174.9	56.6	0	0	0	0	110.6	Q196	Q196-S198 PolarHBondContact O-N 3.47Å
199	S	34.8	Very low	32.3	Very low	117 Å²	117	116.6 Å²	116.6	82%	0.818	73%	0.725	S	S	*	*			trans	-67.1	148.6	173.1	50.1	0	0	0	0	111.6	P197	P197-S199 PolarHBondContact O-N 2.95Å
200	S	31.6	Very low	31.9	Very low	123 Å²	123	116.5 Å²	116.5	86%	0.86	73%	0.734	S	S	*	*			trans	-78.4	127.5	-166.1	55.6	0	0	0	0	114.3
201	S	35.3	Very low	31.5	Very low	120 Å²	120	118.8 Å²	118.8	84%	0.839	75%	0.75	S	S	*	*			trans	-145.3	143.4	147.6	58.2	0	0	0	0	110.7
202	S	31	Very low	31	Very low	103 Å²	103	118.3 Å²	118.3	72%	0.72	75%	0.747	S	S	*	*			trans	-85.7	141.2	-171.2	45.9	0	0	0	0	112.6
203	L	32.7	Very low	30.6	Very low	155 Å²	155	117.9 Å²	117.9	81%	0.812	74%	0.737	S	S	*	*				171.2	142.9	114.3	-90.4	157.8	0	0	0	114
204	S	30.8	Very low	30.5	Very low	97 Å²	97	113.7 Å²	113.7	68%	0.678	73%	0.727	S	S	*	*			trans	43.8	99.5	152.8	59.5	0	0	0	0	121
205	S	28	Very low	30.4	Very low	114 Å²	114	114 Å²	114	80%	0.797	72%	0.722	S	S	*	*				51.1	102.1	128.2	62.9	0	0	0	0	120.8
206	S	29.7	Very low	30.3	Very low	123 Å²	123	108.4 Å²	108.4	86%	0.86	70%	0.697	S	S	*	*				-162.7	153	123.7	36.8	0	0	0	0	112.1
207	S	27.5	Very low	30.3	Very low	112 Å²	112	105.2 Å²	105.2	78%	0.783	68%	0.681	S	S	*	*			trans	-59.5	133.8	-171.8	48.7	0	0	0	0	116.5
208	S	28.7	Very low	30.6	Very low	107 Å²	107	104.1 Å²	104.1	75%	0.748	67%	0.669	S	S	*	*			trans	-163.4	135.8	150.6	-82.2	0	0	0	0	112.4	S210	S208-S210 PolarHBondContact O-N 3Å
209	P	27.7	Very low	31	Very low	115 Å²	115	103.6 Å²	103.6	75%	0.747	66%	0.657	S	S	*	*			trans	-95.7	82.3	-175.8	36.7	-34.1	0	0	0	113.3
210	S	32.6	Very low	31.3	Very low	83 Å²	83	100.5 Å²	100.5	58%	0.58	63%	0.63	S	S	*	*			trans	-109.1	-18.7	-178.3	-53.5	0	0	0	0	115.2	S208	S208-S210 PolarHBondContact O-N 3Å
211	S	30.2	Very low	32	Very low	95 Å²	95	95.7 Å²	95.7	66%	0.664	60%	0.596	S	S	*	*	H	α-helix	trans	-86.6	-29	-167.5	-47.3	0	0	0	0	115
212	S	27.8	Very low	32.7	Very low	79 Å²	79	93.9 Å²	93.9	55%	0.552	57%	0.574	S	S	*	*	H	α-helix	trans	-71.1	-35.5	-178	51.8	0	0	0	0	113	L214 L215 S216	S212-L214 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 3.26Å; S212-L215 PolarHBondContact O-N 3.29Å; S212-S216 PolarHBondContact O-N 3.06Å
213	L	27.9	Very low	33.5	Very low	80 Å²	80	93.6 Å²	93.6	42%	0.419	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-37	-179.9	-63.6	177.2	0	0	0	112.2	S216 F217	L213-S216 WeakPolarHBondContact O-CB 3.42Å; L213-S216 PolarHBondContact O-N 3.2Å; L213-F217 WeakPolarHBondContact O-CD2 3.18Å; L213-F217 PolarHBondContact O-N 3.01Å
214	L	28.5	Very low	34.1	Very low	100 Å²	100	88.1 Å²	88.1	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-70	-34.1	177.7	-81.9	161	0	0	0	113.1	S212 N218	S212-L214 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 3.26Å; L214-N218 PolarHBondContact O-N 3.27Å
215	L	26.5	Very low	35.1	Very low	119 Å²	119	84.8 Å²	84.8	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-68.1	-41.2	169.1	-91.2	68.7	0	0	0	111.1	S212 F217 N218 N219	S212-L215 PolarHBondContact O-N 3.29Å; L215-F217 PolarHBondContact O-N 3.06Å; L215-N218 PolarHBondContact O-N 2.89Å; L215-N219 PolarHBondContact O-N 2.79Å
216	S	30.1	Very low	36.2	Very low	45 Å²	45	80 Å²	80	32%	0.315	47%	0.474	S	S	.	.	H	α-helix	trans	-58.4	-46.2	177	-169.5	0	0	0	0	112.3	S212 L213 N218 N219 Q220	S212-S216 PolarHBondContact O-N 3.06Å; L213-S216 WeakPolarHBondContact O-CB 3.42Å; L213-S216 PolarHBondContact O-N 3.2Å; S216-N218 PolarHBondContact O-N 2.92Å; S216-N219 PolarHBondContact O-N 3.03Å; S216-Q220 WeakPolarHBondContact O-CB 3.47Å; S216-Q220 WeakPolarHBondContact O-CG 3.39Å; S216-Q220 PolarHBondContact O-N 2.86Å
217	F	29.3	Very low	37.1	Very low	93 Å²	93	75.7 Å²	75.7	41%	0.408	44%	0.442	S	S	.	.	H	α-helix	trans	-58.8	-44.8	177	-84.9	-62.9	0	0	0	113.2	L213 L215 Q220 S221	L213-F217 WeakPolarHBondContact O-CD2 3.18Å; L213-F217 PolarHBondContact O-N 3.01Å; L215-F217 PolarHBondContact O-N 3.06Å; F217-Q220 PolarHBondContact O-N 3.14Å; F217-S221 PolarHBondContact O-N 3.45Å
218	N	38.1	Very low	38.1	Very low	91 Å²	91	71.8 Å²	71.8	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-63.1	-45.9	177.2	-80.8	-21.5	0	0	0	111.1	L214 L215 S216 Q220 S221 E222	L214-N218 PolarHBondContact O-N 3.27Å; L215-N218 PolarHBondContact O-N 2.89Å; S216-N218 PolarHBondContact O-N 2.92Å; N218-Q220 PolarHBondContact O-N 3.1Å; N218-S221 PolarHBondContact O-N 2.94Å; N218-S221 PolarHBondContact O-OG 3.28Å; N218-E222 PolarHBondContact O-N 2.75Å
219	N	43.2	Very low	39.5	Very low	105 Å²	105	69.4 Å²	69.4	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-61	-44.3	177.1	-72.4	2.6	0	0	0	112	L215 S216 S221 E222 I223	L215-N219 PolarHBondContact O-N 2.79Å; S216-N219 PolarHBondContact O-N 3.03Å; N219-S221 VanDerWaalsContact C-N 3.32Å; N219-S221 PolarHBondContact O-N 3.49Å; N219-E222 PolarHBondContact O-N 3.35Å; N219-I223 VanDerWaalsContact O-CG1 3.26Å; N219-I223 WeakPolarHBondContact O-CG1 3.46Å; N219-I223 PolarHBondContact O-N 3.29Å
220	Q	41.1	Very low	40.8	Very low	52 Å²	52	65.8 Å²	65.8	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-40.8	174.7	-74	177.8	-15.1	0	0	111.7	S216 F217 N218 E222 I223 I224	S216-Q220 WeakPolarHBondContact O-CB 3.47Å; S216-Q220 WeakPolarHBondContact O-CG 3.39Å; S216-Q220 PolarHBondContact O-N 2.86Å; F217-Q220 PolarHBondContact O-N 3.14Å; N218-Q220 PolarHBondContact O-N 3.1Å; Q220-E222 PolarHBondContact O-N 2.88Å; Q220-I223 PolarHBondContact O-N 2.88Å; Q220-I224 WeakPolarHBondContact O-CG1 3.34Å; Q220-I224 PolarHBondContact O-N 3.38Å
221	S	46.3	Very low	41.6	Very low	22 Å²	22	64 Å²	64	15%	0.154	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-37.9	176.6	82.9	0	0	0	0	112.9	F217 N218 N219 R225	F217-S221 PolarHBondContact O-N 3.45Å; N218-S221 PolarHBondContact O-N 2.94Å; N218-S221 PolarHBondContact O-OG 3.28Å; N219-S221 VanDerWaalsContact C-N 3.32Å; N219-S221 PolarHBondContact O-N 3.49Å; S221-R225 WeakPolarHBondContact O-CD 3.23Å; S221-R225 VanDerWaalsContact O-CG 3.23Å; S221-R225 WeakPolarHBondContact O-CG 3.19Å; S221-R225 PolarHBondContact O-N 3.12Å
222	E	49.2	Very low	42.9	Very low	82 Å²	82	63.1 Å²	63.1	38%	0.383	33%	0.328	S	S	.	.	H	α-helix	trans	-75.1	-31.6	174.2	-82	-56.1	137.4	0	0	113.2	N218 N219 Q220 R225 S226 K229	N218-E222 PolarHBondContact O-N 2.75Å; N219-E222 PolarHBondContact O-N 3.35Å; Q220-E222 PolarHBondContact O-N 2.88Å; E222-R225 PolarHBondContact O-N 3.41Å; E222-R225 WeakPolarHBondContact OE1-CD 3.27Å; E222-R225 IonicContact OE1-CZ 3.65Å; E222-R225 IonicContact OE1-NE 3.13Å; E222-R225 IonicContact OE1-NH1 2.9Å; E222-R225 PolarHBondContact OE1-NH1 2.82Å; E222-S226 WeakPolarHBondContact O-CB 3.27Å; E222-S226 PolarHBondContact O-N 3.18Å; E222-K229 IonicContact OE2-NZ 3.69Å
223	I	46.6	Very low	44.3	Very low	96 Å²	96	60.3 Å²	60.3	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-49	170.6	-71.3	162.4	0	0	0	109.7	N219 Q220 R225 S226 T227	N219-I223 VanDerWaalsContact O-CG1 3.26Å; N219-I223 WeakPolarHBondContact O-CG1 3.46Å; N219-I223 PolarHBondContact O-N 3.29Å; Q220-I223 PolarHBondContact O-N 2.88Å; I223-R225 PolarHBondContact O-N 3.09Å; I223-S226 WeakPolarHBondContact O-CB 3.46Å; I223-S226 PolarHBondContact O-N 3.4Å; I223-S226 VanDerWaalsContact O-N 3.11Å; I223-T227 PolarHBondContact O-N 2.96Å; I223-T227 PolarHBondContact O-OG1 3.45Å
224	I	46.7	Very low	45.6	Very low	40 Å²	40	59.8 Å²	59.8	21%	0.205	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-41.1	177.3	-65.8	165.8	0	0	0	111.1	F131 T186 Q220 S226 T227 L228	F131-I224 HydrophobicContact CE1-CG1 4.14Å; F131-I224 HydrophobicContact CE2-CG1 4.36Å; F131-I224 HydrophobicContact CZ-CG1 3.93Å; F131-I224 HydrophobicContact CZ-CG2 4.29Å; T186-I224 HydrophobicContact CG2-CG2 4.28Å; Q220-I224 WeakPolarHBondContact O-CG1 3.34Å; Q220-I224 PolarHBondContact O-N 3.38Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 2.86Å; I224-T227 PolarHBondContact O-OG1 2.91Å; I224-L228 HydrophobicContact CG2-CD1 3.95Å; I224-L228 WeakPolarHBondContact O-CB 3.25Å; I224-L228 WeakPolarHBondContact O-CD1 3.39Å; I224-L228 WeakPolarHBondContact O-CG 3.33Å; I224-L228 PolarHBondContact O-N 3.43Å
225	R	51.3	Low	46.9	Very low	28 Å²	28	55.7 Å²	55.7	11%	0.106	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-37.6	172.9	-72.1	164	-171.2	155.3	13.8	112.1	T186 S190 S221 E222 I223 K229	T186-R225 HydrophobicContact CG2-CG 4.43Å; T186-R225 PolarHBondContact O-NH2 2.82Å; T186-R225 WeakPolarHBondContact OG1-CG 3.15Å; T186-R225 PolarHBondContact OG1-NE 3.21Å; T186-R225 VanDerWaalsContact OG1-NE 3.11Å; S190-R225 PolarHBondContact OG-NH2 2.8Å; S221-R225 WeakPolarHBondContact O-CD 3.23Å; S221-R225 VanDerWaalsContact O-CG 3.23Å; S221-R225 WeakPolarHBondContact O-CG 3.19Å; S221-R225 PolarHBondContact O-N 3.12Å; E222-R225 PolarHBondContact O-N 3.41Å; E222-R225 WeakPolarHBondContact OE1-CD 3.27Å; E222-R225 IonicContact OE1-CZ 3.65Å; E222-R225 IonicContact OE1-NE 3.13Å; E222-R225 IonicContact OE1-NH1 2.9Å; E222-R225 PolarHBondContact OE1-NH1 2.82Å; I223-R225 PolarHBondContact O-N 3.09Å; R225-K229 WeakPolarHBondContact O-CB 3.37Å; R225-K229 VanDerWaalsContact O-CD 3.28Å; R225-K229 WeakPolarHBondContact O-CD 3.17Å; R225-K229 WeakPolarHBondContact O-CG 2.89Å; R225-K229 PolarHBondContact O-N 3.18Å
226	S	50.9	Low	48.2	Very low	14 Å²	14	50.8 Å²	50.8	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-44	-179.5	-168.3	0	0	0	0	111.4	E222 I223 I224 K229 H230	E222-S226 WeakPolarHBondContact O-CB 3.27Å; E222-S226 PolarHBondContact O-N 3.18Å; I223-S226 WeakPolarHBondContact O-CB 3.46Å; I223-S226 PolarHBondContact O-N 3.4Å; I223-S226 VanDerWaalsContact O-N 3.11Å; I224-S226 VanDerWaalsContact C-N 3.33Å; I224-S226 PolarHBondContact O-N 2.86Å; S226-K229 PolarHBondContact O-N 2.98Å; S226-H230 PolarHBondContact O-N 3.34Å; S226-H230 PolarHBondContact O-ND1 3.42Å
227	T	48.4	Very low	49.6	Very low	31 Å²	31	51.7 Å²	51.7	19%	0.19	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-40.1	175.9	54.5	0	0	0	0	111.8	Y135 I223 I224 K229 H230 F231	Y135-T227 HydrophobicContact CE2-CG2 4.29Å; I223-T227 PolarHBondContact O-N 2.96Å; I223-T227 PolarHBondContact O-OG1 3.45Å; I224-T227 PolarHBondContact O-OG1 2.91Å; T227-K229 PolarHBondContact O-N 3Å; T227-H230 PolarHBondContact O-N 2.87Å; T227-F231 WeakPolarHBondContact O-CB 3.38Å; T227-F231 PolarHBondContact O-N 3.19Å
228	L	49.7	Very low	50.8	Low	31 Å²	31	49.5 Å²	49.5	16%	0.162	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-37.7	172.4	-71.4	170.3	0	0	0	112.7	W179 T186 I224 K232	W179-L228 HydrophobicContact CZ3-CB 4.33Å; W179-L228 HydrophobicContact CZ3-CD2 4.09Å; T186-L228 HydrophobicContact CG2-CD1 4.32Å; I224-L228 HydrophobicContact CG2-CD1 3.95Å; I224-L228 WeakPolarHBondContact O-CB 3.25Å; I224-L228 WeakPolarHBondContact O-CD1 3.39Å; I224-L228 WeakPolarHBondContact O-CG 3.33Å; I224-L228 PolarHBondContact O-N 3.43Å; L228-K232 PolarHBondContact O-N 3.41Å; L228-K232 VanDerWaalsContact O-N 3.11Å
229	K	57	Low	51.4	Low	56 Å²	56	47.1 Å²	47.1	24%	0.243	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-42.7	173.6	-75	160.9	-171.2	166	0	111.9	E222 R225 S226 T227 K232 Y233 I258 T262	E222-K229 IonicContact OE2-NZ 3.69Å; R225-K229 WeakPolarHBondContact O-CB 3.37Å; R225-K229 VanDerWaalsContact O-CD 3.28Å; R225-K229 WeakPolarHBondContact O-CD 3.17Å; R225-K229 WeakPolarHBondContact O-CG 2.89Å; R225-K229 PolarHBondContact O-N 3.18Å; S226-K229 PolarHBondContact O-N 2.98Å; T227-K229 PolarHBondContact O-N 3Å; K229-K232 PolarHBondContact O-N 3.13Å; K229-Y233 PolarHBondContact O-N 2.83Å; K229-I258 HydrophobicContact CD-CG2 4.01Å; K229-T262 HydrophobicContact CD-CG2 4.35Å
230	H	55.3	Low	51.4	Low	40 Å²	40	43.5 Å²	43.5	19%	0.185	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-51.3	175.6	-79.5	85	0	0	0	110.9	S226 T227 K232 Y233 D234 Q259	S226-H230 PolarHBondContact O-N 3.34Å; S226-H230 PolarHBondContact O-ND1 3.42Å; T227-H230 PolarHBondContact O-N 2.87Å; H230-K232 VanDerWaalsContact C-N 3.27Å; H230-K232 PolarHBondContact O-N 3.02Å; H230-Y233 CarbonylContact O-C 3.52Å; H230-Y233 WeakPolarHBondContact O-CA 3.41Å; H230-Y233 WeakPolarHBondContact O-CB 3.4Å; H230-Y233 PolarHBondContact O-N 2.86Å; H230-D234 PolarHBondContact O-N 3.49Å; H230-Q259 PolarHBondContact CD2-NE2 2.78Å; H230-Q259 VanDerWaalsContact CD2-NE2 3.26Å; H230-Q259 PolarHBondContact NE2-NE2 2.61Å
231	F	48.4	Very low	51.8	Low	44 Å²	44	45.8 Å²	45.8	19%	0.193	24%	0.235	C	C	.	.	H	α-helix	trans	-51.2	-46.4	176	-169.3	-72.7	0	0	0	111.9	I138 I142 L174 W179 T227 Y233 Y235	I138-F231 HydrophobicContact CG2-CE2 3.79Å; I142-F231 HydrophobicContact CD1-CD2 4.43Å; I142-F231 HydrophobicContact CD1-CE2 3.46Å; I142-F231 VanDerWaalsContact CD1-CE2 3.46Å; I142-F231 HydrophobicContact CD1-CZ 3.77Å; L174-F231 HydrophobicContact CD1-CD1 4.36Å; L174-F231 HydrophobicContact CD1-CE1 3.42Å; L174-F231 VanDerWaalsContact CD1-CE1 3.42Å; L174-F231 HydrophobicContact CD1-CZ 3.64Å; L174-F231 HydrophobicContact CG-CE1 4.48Å; W179-F231 AromaticContact CH2-CD1 3.84Å; W179-F231 HydrophobicContact CH2-CD1 3.84Å; W179-F231 HydrophobicContact CZ2-CD1 4.08Å; T227-F231 WeakPolarHBondContact O-CB 3.38Å; T227-F231 PolarHBondContact O-N 3.19Å; F231-Y233 VanDerWaalsContact C-N 3.34Å; F231-Y233 PolarHBondContact O-N 3.39Å; F231-Y235 HydrophobicContact CE1-CD2 4.48Å; F231-Y235 WeakPolarHBondContact O-CB 3.49Å; F231-Y235 PolarHBondContact O-N 3.43Å
232	K	57.4	Low	51.8	Low	77 Å²	77	53.6 Å²	53.6	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-34.6	176.4	-168.6	-178.3	175.9	179.3	0	112.8	W179 L228 K229 H230 L236 L255	W179-K232 HydrophobicContact CD2-CD 4.34Å; W179-K232 HydrophobicContact CH2-CB 4Å; W179-K232 HydrophobicContact CZ2-CB 3.99Å; W179-K232 HydrophobicContact CZ2-CG 4.21Å; W179-K232 HydrophobicContact CZ3-CB 4.4Å; L228-K232 PolarHBondContact O-N 3.41Å; L228-K232 VanDerWaalsContact O-N 3.11Å; K229-K232 PolarHBondContact O-N 3.13Å; H230-K232 VanDerWaalsContact C-N 3.27Å; H230-K232 PolarHBondContact O-N 3.02Å; K232-L236 WeakPolarHBondContact O-CG 3.39Å; K232-L236 PolarHBondContact O-N 3.31Å; K232-L236 VanDerWaalsContact O-N 3.1Å; K232-L255 HydrophobicContact CB-CD1 4.33Å; K232-L255 HydrophobicContact CD-CD1 4.23Å; K232-L255 HydrophobicContact CG-CD1 3.95Å
233	Y	57.8	Low	51.5	Low	20 Å²	20	51.8 Å²	51.8	8%	0.078	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-53.5	176	174.4	-99.1	0	0	0	111.6	K229 H230 F231 Y235 L236 Q237 I252 L255 K256	K229-Y233 PolarHBondContact O-N 2.83Å; H230-Y233 CarbonylContact O-C 3.52Å; H230-Y233 WeakPolarHBondContact O-CA 3.41Å; H230-Y233 WeakPolarHBondContact O-CB 3.4Å; H230-Y233 PolarHBondContact O-N 2.86Å; F231-Y233 VanDerWaalsContact C-N 3.34Å; F231-Y233 PolarHBondContact O-N 3.39Å; Y233-Y235 VanDerWaalsContact C-N 3.28Å; Y233-Y235 PolarHBondContact O-N 2.99Å; Y233-L236 PolarHBondContact O-N 3.08Å; Y233-L236 VanDerWaalsContact O-N 3.12Å; Y233-Q237 VanDerWaalsContact O-CB 3.27Å; Y233-Q237 WeakPolarHBondContact O-CB 3.43Å; Y233-Q237 PolarHBondContact O-N 3.48Å; Y233-I252 HydrophobicContact CE2-CG2 4.02Å; Y233-L255 HydrophobicContact CD2-CB 3.83Å; Y233-K256 HydrophobicContact CE2-CB 3.96Å; Y233-K256 HydrophobicContact CE2-CG 4.46Å
234	D	56.1	Low	51.3	Low	70 Å²	70	52.6 Å²	52.6	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-63.8	-37.5	-177.8	-58.8	-49.3	0	0	0	111	H230 Q237 S238	H230-D234 PolarHBondContact O-N 3.49Å; D234-Q237 PolarHBondContact O-N 3.43Å; D234-S238 PolarHBondContact O-N 3.44Å
235	Y	55.4	Low	51.3	Low	14 Å²	14	54.6 Å²	54.6	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-53.3	-57.5	167.4	177	-84	0	0	0	113	V171 L174 Q175 F231 Y233 Q237 S238 K239	V171-Y235 HydrophobicContact CB-CE2 3.9Å; V171-Y235 HydrophobicContact CG1-CE2 3.58Å; V171-Y235 HydrophobicContact CG2-CD2 4.34Å; V171-Y235 HydrophobicContact CG2-CE2 4.04Å; V171-Y235 WeakPolarHBondContact O-CE2 3.26Å; V171-Y235 VanDerWaalsContact O-CZ 3.22Å; V171-Y235 PolarHBondContact O-OH 3.26Å; L174-Y235 HydrophobicContact CB-CE2 4.44Å; Q175-Y235 VanDerWaalsContact CB-OH 3.27Å; Q175-Y235 WeakPolarHBondContact CB-OH 2.93Å; Q175-Y235 HydrophobicContact CG-CE1 4.29Å; Q175-Y235 VanDerWaalsContact CG-OH 3.29Å; Q175-Y235 WeakPolarHBondContact CG-OH 3.35Å; Q175-Y235 PolarHBondContact OE1-OH 2.96Å; F231-Y235 HydrophobicContact CE1-CD2 4.48Å; F231-Y235 WeakPolarHBondContact O-CB 3.49Å; F231-Y235 PolarHBondContact O-N 3.43Å; Y233-Y235 VanDerWaalsContact C-N 3.28Å; Y233-Y235 PolarHBondContact O-N 2.99Å; Y235-Q237 VanDerWaalsContact C-N 3.33Å; Y235-Q237 PolarHBondContact O-N 3.21Å; Y235-S238 PolarHBondContact O-N 3.13Å; Y235-S238 PolarHBondContact O-OG 2.72Å; Y235-K239 HydrophobicContact CE1-CD 4.02Å; Y235-K239 HydrophobicContact CE1-CG 4.44Å; Y235-K239 PolarHBondContact O-N 2.65Å; Y235-K239 VanDerWaalsContact O-N 3.16Å; Y235-K239 WeakPolarHBondContact OH-CE 3.33Å; Y235-K239 PolarHBondContact OH-NZ 3.4Å
236	L	52.8	Low	51.2	Low	15 Å²	15	55.3 Å²	55.3	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-37.7	-177.5	-70.9	-177.7	0	0	0	111.1	K232 Y233 S238 K239 C240 L248 D251 I252 L255	K232-L236 WeakPolarHBondContact O-CG 3.39Å; K232-L236 PolarHBondContact O-N 3.31Å; K232-L236 VanDerWaalsContact O-N 3.1Å; Y233-L236 PolarHBondContact O-N 3.08Å; Y233-L236 VanDerWaalsContact O-N 3.12Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.84Å; L236-K239 CarbonylContact O-C 3.6Å; L236-K239 PolarHBondContact O-N 3.05Å; L236-C240 PolarHBondContact O-N 2.86Å; L236-L248 HydrophobicContact CD2-CD2 3.87Å; L236-D251 HydrophobicContact CD1-CB 4.02Å; L236-I252 HydrophobicContact CB-CD1 4.26Å; L236-I252 HydrophobicContact CB-CG1 3.8Å; L236-I252 WeakPolarHBondContact O-CD1 3.28Å; L236-L255 HydrophobicContact CD1-CD1 3.8Å
237	Q	61.1	Low	51.4	Low	65 Å²	65	59.3 Å²	59.3	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-56	-44.9	174.8	-175.3	62.1	33.5	0	0	111	Y233 D234 Y235 C240 T241	Y233-Q237 VanDerWaalsContact O-CB 3.27Å; Y233-Q237 WeakPolarHBondContact O-CB 3.43Å; Y233-Q237 PolarHBondContact O-N 3.48Å; D234-Q237 PolarHBondContact O-N 3.43Å; Y235-Q237 VanDerWaalsContact C-N 3.33Å; Y235-Q237 PolarHBondContact O-N 3.21Å; Q237-C240 PolarHBondContact O-N 3.32Å; Q237-T241 PolarHBondContact O-N 2.89Å
238	S	54.4	Low	51.6	Low	46 Å²	46	58.9 Å²	58.9	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-43.6	172.6	79.9	0	0	0	0	112.5	D234 Y235 L236 C240 T241 F242	D234-S238 PolarHBondContact O-N 3.44Å; Y235-S238 PolarHBondContact O-N 3.13Å; Y235-S238 PolarHBondContact O-OG 2.72Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.84Å; S238-C240 VanDerWaalsContact C-N 3.26Å; S238-C240 PolarHBondContact O-N 3.09Å; S238-T241 PolarHBondContact O-N 3.13Å; S238-T241 PolarHBondContact O-OG1 2.73Å; S238-F242 VanDerWaalsContact O-CD2 3.29Å; S238-F242 WeakPolarHBondContact O-CD2 3.36Å
239	K	49.7	Very low	51.9	Low	42 Å²	42	62.5 Å²	62.5	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-21.9	179.3	-67.7	-154	171.5	-171.1	0	113.2	Y235 L236 F242 S243	Y235-K239 HydrophobicContact CE1-CD 4.02Å; Y235-K239 HydrophobicContact CE1-CG 4.44Å; Y235-K239 PolarHBondContact O-N 2.65Å; Y235-K239 VanDerWaalsContact O-N 3.16Å; Y235-K239 WeakPolarHBondContact OH-CE 3.33Å; Y235-K239 PolarHBondContact OH-NZ 3.4Å; L236-K239 CarbonylContact O-C 3.6Å; L236-K239 PolarHBondContact O-N 3.05Å; K239-F242 PolarHBondContact O-N 3.23Å; K239-S243 WeakPolarHBondContact O-CB 3.46Å; K239-S243 PolarHBondContact O-N 3.12Å; K239-S243 VanDerWaalsContact O-N 3.13Å
240	C	44.4	Very low	52.3	Low	28 Å²	28	65.6 Å²	65.6	19%	0.189	35%	0.348	C	S	.	.	H	α-helix	trans	-83.5	-18.3	175.9	-168.9	0	0	0	0	114.2	L236 Q237 S238 I252	L236-C240 PolarHBondContact O-N 2.86Å; Q237-C240 PolarHBondContact O-N 3.32Å; S238-C240 VanDerWaalsContact C-N 3.26Å; S238-C240 PolarHBondContact O-N 3.09Å; C240-I252 HydrophobicContact CB-CD1 3.2Å
241	T	48.5	Very low	52.1	Low	100 Å²	100	66.8 Å²	66.8	61%	0.613	36%	0.356	S	S	*	.	H	α-helix	trans	-71.7	-22.9	166.3	59.7	0	0	0	0	111.7	Q237 S238	Q237-T241 PolarHBondContact O-N 2.89Å; S238-T241 PolarHBondContact O-N 3.13Å; S238-T241 PolarHBondContact O-OG1 2.73Å
242	F	46.7	Very low	52.6	Low	186 Å²	186	65.2 Å²	65.2	82%	0.816	35%	0.349	S	S	*	.	S	Bend	trans	-102.4	1.2	177.1	-63.8	-71	0	0	0	115.1	S238 K239	S238-F242 VanDerWaalsContact O-CD2 3.29Å; S238-F242 WeakPolarHBondContact O-CD2 3.36Å; K239-F242 PolarHBondContact O-N 3.23Å
243	S	41.7	Very low	53	Low	45 Å²	45	65.7 Å²	65.7	32%	0.315	36%	0.356	S	S	.	.			trans	-137.8	132.5	-173.5	-166.1	0	0	0	0	114.2	K239 N245	K239-S243 WeakPolarHBondContact O-CB 3.46Å; K239-S243 PolarHBondContact O-N 3.12Å; K239-S243 VanDerWaalsContact O-N 3.13Å; S243-N245 VanDerWaalsContact C-N 3.28Å; S243-N245 PolarHBondContact O-N 3.18Å
244	S	43.9	Very low	53.4	Low	113 Å²	113	72.3 Å²	72.3	79%	0.79	38%	0.382	S	S	*	.			trans	-79.4	-4.1	176.2	52.6	0	0	0	0	114.3	G246	S244-G246 PolarHBondContact O-N 3.48Å
245	N	46.9	Very low	53.2	Low	81 Å²	81	69.9 Å²	69.9	43%	0.433	37%	0.369	S	S	.	.			trans	-60.7	128.7	-172.6	-173.7	-3.9	0	0	0	112.9	S243 Q247 L248	S243-N245 VanDerWaalsContact C-N 3.28Å; S243-N245 PolarHBondContact O-N 3.18Å; N245-Q247 PolarHBondContact OD1-N 2.83Å; N245-L248 HydrophobicContact CB-CD1 4.18Å; N245-L248 HydrophobicContact CB-CG 4.37Å
246	G	49	Very low	53.6	Low	43 Å²	43	73.2 Å²	73.2	44%	0.443	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-40.7	176.1	0	0	0	0	0	113.4	S244 L248 K249 E250	S244-G246 PolarHBondContact O-N 3.48Å; G246-L248 VanDerWaalsContact C-N 3.33Å; G246-L248 PolarHBondContact O-N 2.7Å; G246-K249 WeakPolarHBondContact O-CB 3.31Å; G246-K249 PolarHBondContact O-N 3.47Å; G246-E250 PolarHBondContact O-N 2.59Å
247	Q	54.4	Low	54.2	Low	99 Å²	99	76.6 Å²	76.6	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-39.7	-176.1	-164.1	62.8	67.2	0	0	112.1	N245 K249 E250 D251	N245-Q247 PolarHBondContact OD1-N 2.83Å; Q247-K249 PolarHBondContact O-N 3.46Å; Q247-E250 PolarHBondContact NE2-OE2 2.9Å; Q247-E250 PolarHBondContact O-N 3.25Å; Q247-E250 VanDerWaalsContact O-N 3.11Å; Q247-D251 PolarHBondContact O-N 2.71Å
248	L	52.2	Low	54.1	Low	22 Å²	22	75.6 Å²	75.6	12%	0.115	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-33.1	175.8	-75.8	175.2	0	0	0	112.3	L236 N245 G246 I252	L236-L248 HydrophobicContact CD2-CD2 3.87Å; N245-L248 HydrophobicContact CB-CD1 4.18Å; N245-L248 HydrophobicContact CB-CG 4.37Å; G246-L248 VanDerWaalsContact C-N 3.33Å; G246-L248 PolarHBondContact O-N 2.7Å; L248-I252 WeakPolarHBondContact O-CB 3.37Å; L248-I252 VanDerWaalsContact O-CD1 3.31Å; L248-I252 WeakPolarHBondContact O-CD1 3.1Å; L248-I252 WeakPolarHBondContact O-CG1 3.26Å; L248-I252 PolarHBondContact O-N 3.22Å
249	K	57.4	Low	53.9	Low	106 Å²	106	75.9 Å²	75.9	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-71.6	-34.8	176.4	-65.1	173.9	179.8	172.8	0	111.9	G246 Q247 N253	G246-K249 WeakPolarHBondContact O-CB 3.31Å; G246-K249 PolarHBondContact O-N 3.47Å; Q247-K249 PolarHBondContact O-N 3.46Å; K249-N253 WeakPolarHBondContact O-CB 3.39Å; K249-N253 PolarHBondContact O-N 3.24Å; K249-N253 PolarHBondContact O-ND2 3.38Å
250	E	64	Low	54.6	Low	122 Å²	122	80.2 Å²	80.2	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-68.7	-46.9	173.5	-66.2	-176.4	172.2	0	0	111.3	G246 Q247 I252 N253 Y254	G246-E250 PolarHBondContact O-N 2.59Å; Q247-E250 PolarHBondContact NE2-OE2 2.9Å; Q247-E250 PolarHBondContact O-N 3.25Å; Q247-E250 VanDerWaalsContact O-N 3.11Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 2.92Å; E250-N253 PolarHBondContact O-N 3.27Å; E250-N253 VanDerWaalsContact O-N 3.12Å; E250-Y254 WeakPolarHBondContact O-CB 3.47Å; E250-Y254 PolarHBondContact O-N 3.36Å
251	D	50.7	Low	55.1	Low	65 Å²	65	86 Å²	86	35%	0.348	44%	0.435	S	S	.	.	H	α-helix	trans	-59.4	-41.4	177.7	-66.3	-15.8	0	0	0	111.8	L236 Q247 Y254 L255	L236-D251 HydrophobicContact CD1-CB 4.02Å; Q247-D251 PolarHBondContact O-N 2.71Å; D251-Y254 PolarHBondContact O-N 2.95Å; D251-L255 WeakPolarHBondContact O-CG 3.29Å; D251-L255 PolarHBondContact O-N 3.43Å
252	I	59.4	Low	55	Low	10 Å²	10	82 Å²	82	5%	0.051	41%	0.411	C	S	.	.	H	α-helix	trans	-65.6	-44	174.4	-73.9	165.2	0	0	0	111.3	Y233 L236 C240 L248 E250 Y254 L255 K256	Y233-I252 HydrophobicContact CE2-CG2 4.02Å; L236-I252 HydrophobicContact CB-CD1 4.26Å; L236-I252 HydrophobicContact CB-CG1 3.8Å; L236-I252 WeakPolarHBondContact O-CD1 3.28Å; C240-I252 HydrophobicContact CB-CD1 3.2Å; L248-I252 WeakPolarHBondContact O-CB 3.37Å; L248-I252 VanDerWaalsContact O-CD1 3.31Å; L248-I252 WeakPolarHBondContact O-CD1 3.1Å; L248-I252 WeakPolarHBondContact O-CG1 3.26Å; L248-I252 PolarHBondContact O-N 3.22Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 2.92Å; I252-Y254 VanDerWaalsContact C-N 3.29Å; I252-Y254 PolarHBondContact O-N 3.22Å; I252-L255 PolarHBondContact O-N 3.26Å; I252-K256 WeakPolarHBondContact O-CB 3.45Å; I252-K256 PolarHBondContact O-N 3.09Å
253	N	66.1	Low	55	Low	88 Å²	88	76.9 Å²	76.9	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-35.9	176.2	-79.9	-43.1	0	0	0	112	K249 E250 N257	K249-N253 WeakPolarHBondContact O-CB 3.39Å; K249-N253 PolarHBondContact O-N 3.24Å; K249-N253 PolarHBondContact O-ND2 3.38Å; E250-N253 PolarHBondContact O-N 3.27Å; E250-N253 VanDerWaalsContact O-N 3.12Å; N253-N257 WeakPolarHBondContact O-CB 3.34Å; N253-N257 VanDerWaalsContact O-CG 3.28Å; N253-N257 PolarHBondContact O-N 3.43Å; N253-N257 PolarHBondContact O-ND2 2.82Å
254	Y	65.5	Low	55	Low	158 Å²	158	81.7 Å²	81.7	62%	0.62	41%	0.407	S	S	*	.	H	α-helix	trans	-64.3	-50.4	173.1	179	-97.8	0	0	0	111.7	E250 D251 I252 K256 N257 I258	E250-Y254 WeakPolarHBondContact O-CB 3.47Å; E250-Y254 PolarHBondContact O-N 3.36Å; D251-Y254 PolarHBondContact O-N 2.95Å; I252-Y254 VanDerWaalsContact C-N 3.29Å; I252-Y254 PolarHBondContact O-N 3.22Å; Y254-K256 PolarHBondContact O-N 2.93Å; Y254-N257 PolarHBondContact O-N 3.42Å; Y254-N257 VanDerWaalsContact O-N 3.17Å; Y254-I258 HydrophobicContact CD1-CD1 4.01Å; Y254-I258 HydrophobicContact CE1-CD1 3.39Å; Y254-I258 HydrophobicContact CE1-CG1 4.37Å; Y254-I258 PolarHBondContact O-N 3.31Å
255	L	51.8	Low	54.7	Low	19 Å²	19	81 Å²	81	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-63.4	-38	176	-71.3	-173	0	0	0	112.6	K232 Y233 L236 D251 I252 N257 I258 Q259	K232-L255 HydrophobicContact CB-CD1 4.33Å; K232-L255 HydrophobicContact CD-CD1 4.23Å; K232-L255 HydrophobicContact CG-CD1 3.95Å; Y233-L255 HydrophobicContact CD2-CB 3.83Å; L236-L255 HydrophobicContact CD1-CD1 3.8Å; D251-L255 WeakPolarHBondContact O-CG 3.29Å; D251-L255 PolarHBondContact O-N 3.43Å; I252-L255 PolarHBondContact O-N 3.26Å; L255-N257 VanDerWaalsContact C-N 3.27Å; L255-N257 PolarHBondContact O-N 3.39Å; L255-I258 HydrophobicContact CD2-CD1 4.39Å; L255-I258 CarbonylContact O-C 3.56Å; L255-I258 WeakPolarHBondContact O-CA 3.33Å; L255-I258 WeakPolarHBondContact O-CB 3.25Å; L255-I258 PolarHBondContact O-N 2.83Å; L255-I258 VanDerWaalsContact O-N 3.07Å; L255-Q259 WeakPolarHBondContact O-CB 3.42Å; L255-Q259 PolarHBondContact O-N 3.47Å
256	K	65	Low	54.1	Low	85 Å²	85	82.6 Å²	82.6	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-34.9	174.1	-167.9	168.5	-171.4	165.2	0	112.1	Y233 I252 Y254 K260	Y233-K256 HydrophobicContact CE2-CB 3.96Å; Y233-K256 HydrophobicContact CE2-CG 4.46Å; I252-K256 WeakPolarHBondContact O-CB 3.45Å; I252-K256 PolarHBondContact O-N 3.09Å; Y254-K256 PolarHBondContact O-N 2.93Å; K256-K260 WeakPolarHBondContact O-CG 3.39Å; K256-K260 PolarHBondContact O-N 3.15Å
257	N	64.6	Low	53.6	Low	86 Å²	86	89 Å²	89	46%	0.46	42%	0.417	S	S	.	.	H	α-helix	trans	-74.4	-31.4	172.8	-73.4	-27.9	0	0	0	112.6	N253 Y254 L255 K261	N253-N257 WeakPolarHBondContact O-CB 3.34Å; N253-N257 VanDerWaalsContact O-CG 3.28Å; N253-N257 PolarHBondContact O-N 3.43Å; N253-N257 PolarHBondContact O-ND2 2.82Å; Y254-N257 PolarHBondContact O-N 3.42Å; Y254-N257 VanDerWaalsContact O-N 3.17Å; L255-N257 VanDerWaalsContact C-N 3.27Å; L255-N257 PolarHBondContact O-N 3.39Å; N257-K261 WeakPolarHBondContact O-CG 3.5Å; N257-K261 PolarHBondContact O-N 3.31Å
258	I	58.9	Low	52.8	Low	43 Å²	43	88.1 Å²	88.1	22%	0.221	42%	0.419	C	S	.	.	H	α-helix	trans	-67.1	-46.2	168.7	-70.2	177.6	0	0	0	110.8	K229 Y254 L255 K260 K261 T262	K229-I258 HydrophobicContact CD-CG2 4.01Å; Y254-I258 HydrophobicContact CD1-CD1 4.01Å; Y254-I258 HydrophobicContact CE1-CD1 3.39Å; Y254-I258 HydrophobicContact CE1-CG1 4.37Å; Y254-I258 PolarHBondContact O-N 3.31Å; L255-I258 HydrophobicContact CD2-CD1 4.39Å; L255-I258 CarbonylContact O-C 3.56Å; L255-I258 WeakPolarHBondContact O-CA 3.33Å; L255-I258 WeakPolarHBondContact O-CB 3.25Å; L255-I258 PolarHBondContact O-N 2.83Å; L255-I258 VanDerWaalsContact O-N 3.07Å; I258-K260 VanDerWaalsContact C-N 3.33Å; I258-K260 PolarHBondContact O-N 2.92Å; I258-K261 WeakPolarHBondContact O-CA 3.39Å; I258-K261 WeakPolarHBondContact O-CB 3.32Å; I258-K261 PolarHBondContact O-N 3.13Å; I258-T262 HydrophobicContact CG2-CG2 4.42Å; I258-T262 PolarHBondContact O-N 3.15Å; I258-T262 PolarHBondContact O-OG1 3.22Å
259	Q	51.4	Low	51.7	Low	52 Å²	52	92.9 Å²	92.9	24%	0.243	44%	0.444	C	S	.	.	H	α-helix	trans	-58.9	-43.1	179	-169.4	-173	31.7	0	0	111.4	H230 L255 K261 T262 L263	H230-Q259 PolarHBondContact CD2-NE2 2.78Å; H230-Q259 VanDerWaalsContact CD2-NE2 3.26Å; H230-Q259 PolarHBondContact NE2-NE2 2.61Å; L255-Q259 WeakPolarHBondContact O-CB 3.42Å; L255-Q259 PolarHBondContact O-N 3.47Å; Q259-K261 VanDerWaalsContact C-N 3.33Å; Q259-K261 PolarHBondContact O-N 3.49Å; Q259-T262 PolarHBondContact O-N 3.09Å; Q259-T262 PolarHBondContact O-OG1 2.91Å; Q259-L263 HydrophobicContact CG-CD1 4.29Å; Q259-L263 WeakPolarHBondContact O-CB 3.38Å; Q259-L263 PolarHBondContact O-N 3.3Å
260	K	63.9	Low	50.4	Low	134 Å²	134	93.2 Å²	93.2	58%	0.583	46%	0.46	S	S	*	.	H	α-helix	trans	-57.2	-43.2	171.5	-77.2	174.2	179.3	178.9	0	112.5	K256 I258 F264	K256-K260 WeakPolarHBondContact O-CG 3.39Å; K256-K260 PolarHBondContact O-N 3.15Å; I258-K260 VanDerWaalsContact C-N 3.33Å; I258-K260 PolarHBondContact O-N 2.92Å; K260-F264 WeakPolarHBondContact O-CB 3.41Å; K260-F264 PolarHBondContact O-N 3.29Å; K260-F264 VanDerWaalsContact O-N 3.08Å
261	K	55	Low	48.7	Very low	148 Å²	148	93.3 Å²	93.3	64%	0.643	47%	0.471	S	S	*	.	H	α-helix	trans	-68.1	-42.3	178.4	-72.1	177.6	179	-174.3	0	112.2	N257 I258 Q259 F264 N265	N257-K261 WeakPolarHBondContact O-CG 3.5Å; N257-K261 PolarHBondContact O-N 3.31Å; I258-K261 WeakPolarHBondContact O-CA 3.39Å; I258-K261 WeakPolarHBondContact O-CB 3.32Å; I258-K261 PolarHBondContact O-N 3.13Å; Q259-K261 VanDerWaalsContact C-N 3.33Å; Q259-K261 PolarHBondContact O-N 3.49Å; K261-F264 PolarHBondContact O-N 3.1Å; K261-N265 PolarHBondContact O-N 3.3Å; K261-N265 VanDerWaalsContact O-N 3.13Å; K261-N265 PolarHBondContact O-OD1 2.92Å
262	T	47.4	Very low	47.8	Very low	18 Å²	18	97.9 Å²	97.9	11%	0.11	49%	0.494	C	S	.	.	H	α-helix	trans	-69.8	-41	177.8	51.9	0	0	0	0	112.2	K229 I258 Q259 F264 N265 I266	K229-T262 HydrophobicContact CD-CG2 4.35Å; I258-T262 HydrophobicContact CG2-CG2 4.42Å; I258-T262 PolarHBondContact O-N 3.15Å; I258-T262 PolarHBondContact O-OG1 3.22Å; Q259-T262 PolarHBondContact O-N 3.09Å; Q259-T262 PolarHBondContact O-OG1 2.91Å; T262-F264 PolarHBondContact O-N 3.01Å; T262-N265 PolarHBondContact O-N 3.21Å; T262-I266 WeakPolarHBondContact O-CB 3.18Å; T262-I266 WeakPolarHBondContact O-CD1 3.24Å; T262-I266 WeakPolarHBondContact O-CG1 3.38Å; T262-I266 PolarHBondContact O-N 2.96Å
263	L	45.4	Very low	46.4	Very low	78 Å²	78	104.7 Å²	104.7	41%	0.408	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-26.3	173.1	-105.5	72.1	0	0	0	113.4	Q259 K267	Q259-L263 HydrophobicContact CG-CD1 4.29Å; Q259-L263 WeakPolarHBondContact O-CB 3.38Å; Q259-L263 PolarHBondContact O-N 3.3Å; L263-K267 WeakPolarHBondContact O-CB 3.49Å; L263-K267 VanDerWaalsContact O-CG 3.32Å; L263-K267 WeakPolarHBondContact O-CG 3.31Å; L263-K267 PolarHBondContact O-N 2.87Å
264	F	41.9	Very low	44.5	Very low	146 Å²	146	105.4 Å²	105.4	64%	0.64	55%	0.548	S	S	*	.	H	α-helix	trans	-71.9	-54.5	175	-162.4	-92.8	0	0	0	110.6	K260 K261 T262 I266 K267 T268	K260-F264 WeakPolarHBondContact O-CB 3.41Å; K260-F264 PolarHBondContact O-N 3.29Å; K260-F264 VanDerWaalsContact O-N 3.08Å; K261-F264 PolarHBondContact O-N 3.1Å; T262-F264 PolarHBondContact O-N 3.01Å; F264-I266 PolarHBondContact O-N 3.47Å; F264-K267 PolarHBondContact O-N 2.97Å; F264-T268 HydrophobicContact CD1-CG2 4.3Å; F264-T268 HydrophobicContact CE1-CG2 4.11Å; F264-T268 PolarHBondContact O-N 2.98Å
265	N	37.2	Very low	42.7	Very low	97 Å²	97	103.1 Å²	103.1	52%	0.519	56%	0.555	S	S	.	*	H	α-helix	trans	-60.7	-41.7	179.6	-67.1	22.4	0	0	0	112.4	K261 T262 K267 T268 D269	K261-N265 PolarHBondContact O-N 3.3Å; K261-N265 VanDerWaalsContact O-N 3.13Å; K261-N265 PolarHBondContact O-OD1 2.92Å; T262-N265 PolarHBondContact O-N 3.21Å; N265-K267 PolarHBondContact O-N 3.4Å; N265-T268 PolarHBondContact O-N 3.35Å; N265-T268 VanDerWaalsContact O-N 3.17Å; N265-T268 PolarHBondContact O-OG1 3.26Å; N265-D269 PolarHBondContact O-N 3.07Å
266	I	35.2	Very low	41.6	Very low	116 Å²	116	107.8 Å²	107.8	60%	0.595	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-20.8	177.5	-66.7	166.6	0	0	0	111.9	T262 F264	T262-I266 WeakPolarHBondContact O-CB 3.18Å; T262-I266 WeakPolarHBondContact O-CD1 3.24Å; T262-I266 WeakPolarHBondContact O-CG1 3.38Å; T262-I266 PolarHBondContact O-N 2.96Å; F264-I266 PolarHBondContact O-N 3.47Å
267	K	37.9	Very low	39.7	Very low	178 Å²	178	111.9 Å²	111.9	77%	0.774	61%	0.605	S	S	*	*	H	α-helix	trans	-93.3	-12.6	176.3	-77.2	-175.9	175.5	-173.7	0	114.6	L263 F264 N265	L263-K267 WeakPolarHBondContact O-CB 3.49Å; L263-K267 VanDerWaalsContact O-CG 3.32Å; L263-K267 WeakPolarHBondContact O-CG 3.31Å; L263-K267 PolarHBondContact O-N 2.87Å; F264-K267 PolarHBondContact O-N 2.97Å; N265-K267 PolarHBondContact O-N 3.4Å
268	T	38	Very low	38	Very low	80 Å²	80	110.5 Å²	110.5	49%	0.491	60%	0.601	S	S	.	*	H	α-helix	trans	-89	-26.3	176.5	51.8	0	0	0	0	113.1	F264 N265 S270	F264-T268 HydrophobicContact CD1-CG2 4.3Å; F264-T268 HydrophobicContact CE1-CG2 4.11Å; F264-T268 PolarHBondContact O-N 2.98Å; N265-T268 PolarHBondContact O-N 3.35Å; N265-T268 VanDerWaalsContact O-N 3.17Å; N265-T268 PolarHBondContact O-OG1 3.26Å; T268-S270 PolarHBondContact O-N 3.18Å; T268-S270 VanDerWaalsContact O-N 3.16Å
269	D	30	Very low	36.3	Very low	121 Å²	121	113.8 Å²	113.8	65%	0.647	63%	0.627	S	S	*	*	S	Bend	trans	-97.5	64.7	-162.5	-64.2	-0.9	0	0	0	113.8	N265	N265-D269 PolarHBondContact O-N 3.07Å
270	S	30.2	Very low	35.3	Very low	113 Å²	113	117.2 Å²	117.2	79%	0.79	64%	0.642	S	S	*	*			trans	60.7	133.2	159	-60.2	0	0	0	0	120.4	T268	T268-S270 PolarHBondContact O-N 3.18Å; T268-S270 VanDerWaalsContact O-N 3.16Å
271	P	28.3	Very low	33.7	Very low	124 Å²	124	117 Å²	117	81%	0.805	65%	0.652	S	S	*	*			trans	-89	144.5	-179.5	35.3	-34.8	0	0	0	114.1
272	I	31.9	Very low	32.4	Very low	162 Å²	162	113.1 Å²	113.1	83%	0.831	64%	0.643	S	S	*	*			trans	-168.1	152.3	151	-103.4	149.6	0	0	0	110.3
273	N	29.8	Very low	31.6	Very low	153 Å²	153	116.6 Å²	116.6	82%	0.818	66%	0.664	S	S	*	*			trans	58.2	77.7	175.8	-74.3	5.3	0	0	0	117.9	S275	N273-S275 PolarHBondContact O-N 3.41Å
274	A	25.3	Very low	30.9	Very low	102 Å²	102	116.1 Å²	116.1	84%	0.843	67%	0.672	S	S	*	*			trans	-73.8	85.9	162.3	0	0	0	0	0	111.8
275	S	27.1	Very low	30.2	Very low	110 Å²	110	114.9 Å²	114.9	77%	0.769	67%	0.672	S	S	*	*			trans	-156.4	51.7	167	-174.4	0	0	0	0	113.1	N273	N273-S275 PolarHBondContact O-N 3.41Å
276	V	28.7	Very low	29.8	Very low	118 Å²	118	113.6 Å²	113.6	72%	0.715	67%	0.674	S	S	*	*			trans	-176	106.3	149.6	148.9	0	0	0	0	103.5
277	Q	26.9	Very low	29.5	Very low	171 Å²	171	112.6 Å²	112.6	80%	0.799	68%	0.677	S	S	*	*			trans	-107.6	109.3	166.8	-74.5	-74	-79.7	0	0	105.7	S279	Q277-S279 PolarHBondContact O-N 3.15Å
278	P	27.1	Very low	29.2	Very low	57 Å²	57	110.6 Å²	110.6	37%	0.37	67%	0.674	S	S	.	*			trans	-61.4	125.9	165.5	-13.2	27.7	0	0	0	107	F280	P278-F280 HydrophobicContact CB-CD2 3.95Å; P278-F280 HydrophobicContact CB-CE2 3.62Å; P278-F280 HydrophobicContact CB-CZ 4.21Å; P278-F280 HydrophobicContact CG-CE2 4.11Å; P278-F280 PolarHBondContact O-N 2.75Å
279	S	24.7	Very low	28.9	Very low	111 Å²	111	116.7 Å²	116.7	78%	0.776	69%	0.69	S	S	*	*			trans	-77.8	64.7	-172.1	57.7	0	0	0	0	111.9	Q277 T281	Q277-S279 PolarHBondContact O-N 3.15Å; S279-T281 PolarHBondContact O-N 3.06Å
280	F	29.6	Very low	28.9	Very low	125 Å²	125	118.5 Å²	118.5	55%	0.548	70%	0.7	S	S	.	*			trans	-68.1	100.5	172	-68.2	-64.3	0	0	0	109.5	Y135 P278	Y135-F280 AromaticContact CE1-CE1 3.92Å; Y135-F280 HydrophobicContact CE1-CE1 3.92Å; Y135-F280 AromaticContact CE1-CZ 3.7Å; Y135-F280 HydrophobicContact CE1-CZ 3.7Å; Y135-F280 WeakPolarHBondContact OH-CE1 3.34Å; P278-F280 HydrophobicContact CB-CD2 3.95Å; P278-F280 HydrophobicContact CB-CE2 3.62Å; P278-F280 HydrophobicContact CB-CZ 4.21Å; P278-F280 HydrophobicContact CG-CE2 4.11Å; P278-F280 PolarHBondContact O-N 2.75Å
281	T	29.7	Very low	28.9	Very low	129 Å²	129	116.8 Å²	116.8	79%	0.791	69%	0.693	S	S	*	*			trans	-57	140.9	166.8	37.9	0	0	0	0	109.8	S279 V283	S279-T281 PolarHBondContact O-N 3.06Å; T281-V283 PolarHBondContact O-N 2.83Å
282	S	28	Very low	28.9	Very low	66 Å²	66	119.2 Å²	119.2	46%	0.462	69%	0.693	S	S	.	*			trans	-66.8	109.9	-170.9	172	0	0	0	0	111.4	A284 D285	S282-A284 PolarHBondContact O-N 3.11Å; S282-A284 WeakPolarHBondContact OG-CB 3.3Å; S282-A284 PolarHBondContact OG-N 3.32Å; S282-D285 WeakPolarHBondContact CB-OD2 3.43Å; S282-D285 WeakPolarHBondContact O-CB 3.24Å; S282-D285 PolarHBondContact O-N 3.04Å
283	V	30.8	Very low	28.8	Very low	91 Å²	91	121.8 Å²	121.8	55%	0.552	70%	0.699	S	S	*	*	H	α-helix	trans	-62.4	-11.3	174.5	-175.7	0	0	0	0	112.1	T281 D285 A286 C287	T281-V283 PolarHBondContact O-N 2.83Å; V283-D285 PolarHBondContact O-N 3.3Å; V283-A286 PolarHBondContact O-N 2.79Å; V283-C287 PolarHBondContact O-N 3.14Å
284	A	30.1	Very low	28.8	Very low	69 Å²	69	119.2 Å²	119.2	57%	0.57	70%	0.698	S	S	*	*	H	α-helix	trans	-61.7	-30.9	168.8	0	0	0	0	0	112.7	S282 C287	S282-A284 PolarHBondContact O-N 3.11Å; S282-A284 WeakPolarHBondContact OG-CB 3.3Å; S282-A284 PolarHBondContact OG-N 3.32Å; A284-C287 PolarHBondContact O-N 2.83Å
285	D	28.6	Very low	28.9	Very low	119 Å²	119	121.1 Å²	121.1	64%	0.636	70%	0.695	S	S	*	*	H	α-helix	trans	-76.9	-30.7	179.8	-58.3	-46.8	0	0	0	111.7	S282 V283 C287	S282-D285 WeakPolarHBondContact CB-OD2 3.43Å; S282-D285 WeakPolarHBondContact O-CB 3.24Å; S282-D285 PolarHBondContact O-N 3.04Å; V283-D285 PolarHBondContact O-N 3.3Å; D285-C287 VanDerWaalsContact C-N 3.31Å; D285-C287 PolarHBondContact O-N 3.2Å
286	A	29	Very low	29.1	Very low	70 Å²	70	125.4 Å²	125.4	58%	0.579	70%	0.702	S	S	*	*	H	α-helix	trans	-69	-24.3	173.9	0	0	0	0	0	113.6	V283 N288	V283-A286 PolarHBondContact O-N 2.79Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 2.89Å
287	C	28.6	Very low	29.1	Very low	96 Å²	96	125 Å²	125	65%	0.649	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-9.9	-179.7	-72	0	0	0	0	114.7	V283 A284 D285	V283-C287 PolarHBondContact O-N 3.14Å; A284-C287 PolarHBondContact O-N 2.83Å; D285-C287 VanDerWaalsContact C-N 3.31Å; D285-C287 PolarHBondContact O-N 3.2Å
288	N	32.1	Very low	29.4	Very low	135 Å²	135	121.7 Å²	121.7	72%	0.722	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	0	-170.5	-147.6	29.9	0	0	0	114.6	A286	A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 2.89Å
289	Y	29.8	Very low	29.5	Very low	208 Å²	208	127.3 Å²	127.3	82%	0.816	72%	0.722	S	S	*	*	S	Bend	trans	-97.2	7.3	-167.9	-125.9	-85.6	0	0	0	116.1
290	N	30.7	Very low	29.9	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	72%	0.724	S	S	*	*	S	Bend	trans	-127.2	24.5	-175.9	-80.8	-60.7	0	0	0	113.8
291	A	30.8	Very low	29.6	Very low	78 Å²	78	132.7 Å²	132.7	65%	0.645	74%	0.738	S	S	*	*	S	Bend	trans	-93.1	-12.4	-173.7	0	0	0	0	0	115.5
292	E	28.7	Very low	29.8	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	73%	0.732	S	S	*	*	S	Bend	trans	-106.4	-10.3	-163.8	-64.8	-167.8	124.1	0	0	116.2
293	F	28.5	Very low	29.9	Very low	217 Å²	217	133 Å²	133	95%	0.952	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	46.6	-173.9	-95	-86	0	0	0	115.3
294	A	31.1	Very low	30	Very low	98 Å²	98	137.8 Å²	137.8	81%	0.81	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.1	10.3	172.3	0	0	0	0	0	116.2	H296	A294-H296 PolarHBondContact O-N 3.43Å
295	N	27	Very low	30	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	75%	0.752	S	S	*	*			trans	-93.8	86.9	178.1	-88.7	-41	0	0	0	112
296	H	30.6	Very low	30.1	Very low	199 Å²	199	141.1 Å²	141.1	92%	0.921	75%	0.752	S	S	*	*			trans	-175.5	82.1	153.1	-94.2	-55.7	0	0	0	112.7	A294	A294-H296 PolarHBondContact O-N 3.43Å
297	S	29.8	Very low	30.3	Very low	109 Å²	109	144.8 Å²	144.8	76%	0.762	76%	0.762	S	S	*	*			trans	174.4	95.5	141	-163.6	0	0	0	0	109.4
298	S	31.6	Very low	30.4	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	77%	0.765	S	S	*	*				88.1	88.5	95.3	-59.3	0	0	0	0	115.4
299	Q	30.8	Very low	30.3	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	77%	0.772	S	S	*	*			trans	49.4	107.2	140.1	-54.3	-178.8	6.4	0	0	117.7
300	N	31.4	Very low	30.5	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	77%	0.773	S	S	*	*				-165.9	167.5	71.3	-91.1	-50.2	0	0	0	114.6
301	K	24.6	Very low	30.5	Very low	194 Å²	194	139.4 Å²	139.4	84%	0.843	77%	0.77	S	S	*	*			trans	-163	-175.9	-173.9	-126.3	-175.7	176.7	-177.9	0	106.6
302	P	33.8	Very low	30.9	Very low	101 Å²	101	141 Å²	141	66%	0.656	77%	0.774	S	S	*	*			cis	-142.9	-163.2	-10.8	27.8	-0.9	0	0	0	115.3
303	V	29.4	Very low	31	Very low	101 Å²	101	140.4 Å²	140.4	61%	0.612	77%	0.773	S	S	*	*			trans	81.5	147.8	149	-123	0	0	0	0	123.5
304	Y	32.5	Very low	31.2	Very low	191 Å²	191	137.6 Å²	137.6	75%	0.749	77%	0.767	S	S	*	*			trans	64.1	122.1	168	-57.6	-67	0	0	0	117.3
305	E	30.2	Very low	31.2	Very low	141 Å²	141	140.8 Å²	140.8	66%	0.659	77%	0.77	S	S	*	*			cis	114.9	123.7	17.6	-86.4	-157.6	110.4	0	0	112.1
306	N	31.7	Very low	31.5	Very low	118 Å²	118	139.4 Å²	139.4	63%	0.631	77%	0.768	S	S	*	*			trans	70.5	126.4	140.6	-55	-20	0	0	0	121.7
307	N	31.7	Very low	31.5	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	76%	0.757	S	S	*	*			trans	82.6	88.8	140.7	-60.1	-11.8	0	0	0	121.6
308	A	31.3	Very low	31.5	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	76%	0.756	S	S	*	*				92.4	154.6	107.8	0	0	0	0	0	121.8
309	L	30.7	Very low	31.5	Very low	166 Å²	166	137.5 Å²	137.5	87%	0.869	76%	0.763	S	S	*	*			trans	79.5	139	161.3	-74.9	149.4	0	0	0	120.6
310	S	33.3	Very low	31.4	Very low	117 Å²	117	134.6 Å²	134.6	82%	0.818	76%	0.762	S	S	*	*			trans	81	111.9	158.3	-58.8	0	0	0	0	120.8
311	S	31.4	Very low	31.2	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	76%	0.76	S	S	*	*			trans	-84.6	-169.8	167.9	-40.4	0	0	0	0	111.6
312	P	38.2	Very low	31.6	Very low	112 Å²	112	131.1 Å²	131.1	73%	0.727	76%	0.755	S	S	*	*				-130.7	-157.9	-59.5	34.7	-14.7	0	0	0	111.8
313	M	31.6	Very low	31.3	Very low	162 Å²	162	136.6 Å²	136.6	80%	0.798	76%	0.764	S	S	*	*			trans	71.5	127	174.6	-53.4	178.9	64.1	0	0	114.3
314	L	33.5	Very low	31.4	Very low	158 Å²	158	139.6 Å²	139.6	83%	0.827	78%	0.776	S	S	*	*				-156.7	159	52.5	-80.8	165.2	0	0	0	111.8
315	L	29.5	Very low	31	Very low	164 Å²	164	139.7 Å²	139.7	86%	0.859	78%	0.781	S	S	*	*			trans	-81.2	157.5	163.4	-76.8	152.5	0	0	0	110.5
316	P	33.1	Very low	31.2	Very low	114 Å²	114	138.8 Å²	138.8	74%	0.74	79%	0.787	S	S	*	*				-145.4	134.7	109.8	36.5	-21.4	0	0	0	116.6
317	S	31	Very low	31	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	79%	0.793	S	S	*	*			trans	43.2	129.5	139.7	64.7	0	0	0	0	123.9
318	S	29.5	Very low	30.7	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	79%	0.793	S	S	*	*			trans	67.6	114.3	133.5	63.8	0	0	0	0	122
319	I	32.6	Very low	30.7	Very low	169 Å²	169	142.5 Å²	142.5	87%	0.867	80%	0.803	S	S	*	*				-168.9	98.4	127.8	-92.9	149.1	0	0	0	105.1
320	S	29.4	Very low	30.5	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	79%	0.793	S	S	*	*				76.3	113.9	97.8	-158.1	0	0	0	0	114.8
321	M	26	Very low	30.3	Very low	161 Å²	161	143.7 Å²	143.7	79%	0.793	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-97.4	140.2	177.4	-78.3	-94.1	-75.5	0	0	111.4
322	P	33.8	Very low	30.1	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-99.4	123.2	155.1	33.2	-25.3	0	0	0	111
323	Y	27.6	Very low	29.7	Very low	217 Å²	217	145.7 Å²	145.7	85%	0.851	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.3	139.2	161.8	-66.5	-101.3	0	0	0	109.6
324	L	31.2	Very low	29.6	Very low	164 Å²	164	145.7 Å²	145.7	86%	0.859	79%	0.792	S	S	*	*			trans	-159.1	120.7	157.5	-109.8	172.3	0	0	0	111.4
325	F	24.5	Very low	29.2	Very low	192 Å²	192	143.6 Å²	143.6	84%	0.842	79%	0.79	S	S	*	*			trans	-79.5	142.7	164.3	-85.2	-99.5	0	0	0	110.1
326	P	33.4	Very low	29.1	Very low	123 Å²	123	143 Å²	143	80%	0.799	79%	0.787	S	S	*	*			trans	-105.4	118.3	150.8	-1.2	21.9	0	0	0	109.9
327	S	28.5	Very low	28.9	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	79%	0.788	S	S	*	*			trans	-75.8	150.3	171.8	-57.2	0	0	0	0	111.9
328	L	25	Very low	28.9	Very low	152 Å²	152	148.7 Å²	148.7	80%	0.796	79%	0.79	S	S	*	*			trans	22.1	115.6	148.8	-76.1	156.4	0	0	0	117.6	I330	L328-I330 HydrophobicContact CD2-CG1 4.42Å
329	N	31.3	Very low	28.9	Very low	172 Å²	172	150.9 Å²	150.9	92%	0.92	79%	0.789	S	S	*	*			trans	-133.4	132.2	141	-131.1	-21.7	0	0	0	110.2
330	I	25.5	Very low	28.7	Very low	132 Å²	132	152.7 Å²	152.7	68%	0.677	79%	0.787	S	S	*	*			trans	-99.2	125.2	-173.2	-64.3	166	0	0	0	108.1	L328	L328-I330 HydrophobicContact CD2-CG1 4.42Å
331	L	30.9	Very low	28.8	Very low	176 Å²	176	153.6 Å²	153.6	92%	0.921	78%	0.783	S	S	*	*			trans	-144.7	118.4	146.3	-140.5	72.2	0	0	0	111.9
332	N	26.4	Very low	29	Very low	132 Å²	132	150.5 Å²	150.5	71%	0.706	78%	0.775	S	S	*	*			trans	-60.2	133.5	-179.7	172.5	25.3	0	0	0	112.8
333	N	28.8	Very low	28.9	Very low	136 Å²	136	154.3 Å²	154.3	73%	0.727	78%	0.776	S	S	*	*			trans	-161.6	109.2	140.4	-101.2	-32.6	0	0	0	113.7
334	Q	29.3	Very low	29	Very low	161 Å²	161	150.2 Å²	150.2	75%	0.752	77%	0.774	S	S	*	*			trans	55.8	102.3	138.3	-58.6	-178.5	-3.5	0	0	120.2
335	S	25.4	Very low	28.9	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	77%	0.766	S	S	*	*				56.2	100.4	129.6	-53.3	0	0	0	0	120.6
336	L	28.4	Very low	29.1	Very low	151 Å²	151	143.6 Å²	143.6	79%	0.791	76%	0.755	S	S	*	*			trans	-170.7	75.7	136.3	-109.1	168.8	0	0	0	112	K338	L336-K338 HydrophobicContact CD2-CG 4.38Å; L336-K338 PolarHBondContact O-N 3.18Å
337	E	28.2	Very low	28.9	Very low	164 Å²	164	145 Å²	145	77%	0.766	76%	0.755	S	S	*	*			trans	-81.1	89	-178.8	-152.7	-176.7	164.8	0	0	112.2	Q339	E337-Q339 HydrophobicContact CG-CG 4.28Å; E337-Q339 PolarHBondContact O-N 3.43Å; E337-Q339 PolarHBondContact OE1-NE2 2.89Å
338	K	30.7	Very low	29	Very low	168 Å²	168	144.4 Å²	144.4	73%	0.73	75%	0.751	S	S	*	*			trans	-91.6	73.5	175.5	-74.4	-173.7	173.1	-179.4	0	112.2	L336 Y340	L336-K338 HydrophobicContact CD2-CG 4.38Å; L336-K338 PolarHBondContact O-N 3.18Å; K338-Y340 PolarHBondContact O-N 3.41Å; K338-Y340 VanDerWaalsContact O-N 3.07Å
339	Q	30.2	Very low	29.2	Very low	150 Å²	150	147.7 Å²	147.7	70%	0.701	76%	0.755	S	S	*	*			trans	-74.3	92.2	168.6	-66.8	-160	26.9	0	0	111.2	E337 N341	E337-Q339 HydrophobicContact CG-CG 4.28Å; E337-Q339 PolarHBondContact O-N 3.43Å; E337-Q339 PolarHBondContact OE1-NE2 2.89Å; Q339-N341 PolarHBondContact O-N 3Å
340	Y	29.1	Very low	29.1	Very low	207 Å²	207	150.4 Å²	150.4	81%	0.812	75%	0.752	S	S	*	*			trans	-72.7	118.7	168.1	-111.2	-97.9	0	0	0	110.1	K338	K338-Y340 PolarHBondContact O-N 3.41Å; K338-Y340 VanDerWaalsContact O-N 3.07Å
341	N	30.8	Very low	29.4	Very low	133 Å²	133	151.6 Å²	151.6	71%	0.711	76%	0.76	S	S	*	*			trans	-143.8	90.9	-179.9	-167.2	-9.3	0	0	0	111.6	Q339 Y343	Q339-N341 PolarHBondContact O-N 3Å; N341-Y343 PolarHBondContact O-N 3.06Å
342	P	29.4	Very low	29.4	Very low	97 Å²	97	150.7 Å²	150.7	63%	0.63	76%	0.755	S	S	*	*			trans	-97.3	47.2	-156	38.5	-38.5	0	0	0	115.7
343	Y	31.7	Very low	29.8	Very low	193 Å²	193	149.9 Å²	149.9	76%	0.757	76%	0.757	S	S	*	*			trans	-140.9	83.4	177.5	-70.3	-68	0	0	0	115.7	N341	N341-Y343 PolarHBondContact O-N 3.06Å
344	T	31.6	Very low	29.9	Very low	132 Å²	132	153.8 Å²	153.8	81%	0.81	76%	0.763	S	S	*	*			trans	-106.7	115.4	163.8	52.1	0	0	0	0	111.3	D346	T344-D346 PolarHBondContact O-N 3.23Å
345	C	28.8	Very low	30.1	Very low	103 Å²	103	152.6 Å²	152.6	70%	0.696	76%	0.762	S	S	*	*			trans	-74.4	113.9	178.8	-58.6	0	0	0	0	111.5	N347	C345-N347 PolarHBondContact O-N 3.25Å
346	D	28.4	Very low	30	Very low	114 Å²	114	152.9 Å²	152.9	61%	0.61	76%	0.763	S	S	*	*			trans	-81.4	103.4	172.3	-128.1	-39.6	0	0	0	110.4	K105 T344 S348	K105-D346 IonicContact NZ-OD2 2.69Å; K105-D346 PolarHBondContact NZ-OD2 2.88Å; T344-D346 PolarHBondContact O-N 3.23Å; D346-S348 VanDerWaalsContact C-N 3.28Å; D346-S348 PolarHBondContact O-N 2.91Å
347	N	29.2	Very low	30	Very low	152 Å²	152	150.7 Å²	150.7	81%	0.813	76%	0.756	S	S	*	*			trans	-80.4	67.2	-177.9	-87.2	-50.2	0	0	0	111.8	C345 Y349	C345-N347 PolarHBondContact O-N 3.25Å; N347-Y349 VanDerWaalsContact C-N 3.34Å; N347-Y349 PolarHBondContact O-N 3.37Å
348	S	29.5	Very low	30.1	Very low	94 Å²	94	151.8 Å²	151.8	66%	0.657	76%	0.761	S	S	*	*			trans	-86.2	12.6	-174.6	59.6	0	0	0	0	115.9	D346	D346-S348 VanDerWaalsContact C-N 3.28Å; D346-S348 PolarHBondContact O-N 2.91Å
349	Y	29.2	Very low	30.2	Very low	221 Å²	221	149.1 Å²	149.1	87%	0.867	76%	0.759	S	S	*	*			trans	-122.6	61.2	178.6	-83.4	-81.1	0	0	0	114	N347	N347-Y349 VanDerWaalsContact C-N 3.34Å; N347-Y349 PolarHBondContact O-N 3.37Å
350	R	30.9	Very low	30.2	Very low	228 Å²	228	148.1 Å²	148.1	86%	0.86	76%	0.758	S	S	*	*			trans	-162.9	105.7	156.8	-110	163.8	-162.9	-106.5	0.4	111
351	N	30.5	Very low	30.2	Very low	157 Å²	157	145 Å²	145	84%	0.84	76%	0.755	S	S	*	*			trans	155.7	91.3	147.7	-80.5	-18.7	0	0	0	109.8
352	L	31	Very low	30.2	Very low	157 Å²	157	150.5 Å²	150.5	82%	0.822	77%	0.766	S	S	*	*			trans	-78.5	124.5	154.4	-82.9	80.5	0	0	0	107.3	Y354	L352-Y354 PolarHBondContact O-N 2.84Å
353	P	35	Very low	30.3	Very low	116 Å²	116	154.4 Å²	154.4	75%	0.753	78%	0.776	S	S	*	*			trans	-79.3	110.6	169.8	30.9	-30.4	0	0	0	109.6	N355	P353-N355 PolarHBondContact O-N 3.34Å; P353-N355 VanDerWaalsContact O-N 3.15Å
354	Y	31.6	Very low	30.1	Very low	218 Å²	218	149.8 Å²	149.8	86%	0.855	77%	0.772	S	S	*	*			trans	-71	103.5	160.5	-88.8	-83.5	0	0	0	108.3	L352	L352-Y354 PolarHBondContact O-N 2.84Å
355	N	32.2	Very low	29.9	Very low	135 Å²	135	150.6 Å²	150.6	72%	0.722	77%	0.771	S	S	*	*			trans	-97.5	100.7	-179.2	-155.5	47.6	0	0	0	109.3	P353	P353-N355 PolarHBondContact O-N 3.34Å; P353-N355 VanDerWaalsContact O-N 3.15Å
356	C	24	Very low	30.1	Very low	120 Å²	120	152.2 Å²	152.2	81%	0.811	78%	0.778	S	S	*	*			trans	-107.2	93.1	176.3	-69	0	0	0	0	110
357	T	28.7	Very low	30	Very low	105 Å²	105	154.1 Å²	154.1	64%	0.644	79%	0.788	S	S	*	*			trans	-136.5	152.9	169.4	48.4	0	0	0	0	107.6
358	E	30.7	Very low	30.2	Very low	187 Å²	187	155.1 Å²	155.1	87%	0.874	79%	0.787	S	S	*	*			trans	87.8	139	-166.4	-59.5	-168.1	169	0	0	114.4
359	V	32.1	Very low	30.1	Very low	113 Å²	113	157.1 Å²	157.1	69%	0.685	79%	0.79	S	S	*	*			cis	-155.3	153.4	-13.3	107.9	0	0	0	0	111.6
360	N	30.7	Very low	29.9	Very low	128 Å²	128	153 Å²	153	68%	0.684	79%	0.792	S	S	*	*			trans	30.3	129.7	159.3	-57.2	-27.4	0	0	0	122.6
361	N	28.8	Very low	29.7	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	79%	0.79	S	S	*	*				30.3	111.2	129	-58.8	-23.6	0	0	0	119.2
362	R	30.2	Very low	29.6	Very low	248 Å²	248	151.5 Å²	151.5	94%	0.936	79%	0.791	S	S	*	*				-167.2	159.6	102.5	-101.7	161.2	-169.8	-136.6	-0.5	112.8
363	Q	31	Very low	29.5	Very low	179 Å²	179	148.8 Å²	148.8	84%	0.836	79%	0.786	S	S	*	*			trans	-81	166.3	175.2	-67.5	151	-56.6	0	0	111.4
364	S	28.5	Very low	29.1	Very low	96 Å²	96	151.7 Å²	151.7	67%	0.671	79%	0.789	S	S	*	*			trans	62	108.4	155.1	56.7	0	0	0	0	119.8
365	N	28.3	Very low	28.9	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	79%	0.786	S	S	*	*				83.3	155.7	129.7	-59.9	-13	0	0	0	121.4
366	T	32.3	Very low	28.7	Very low	138 Å²	138	144.7 Å²	144.7	85%	0.847	78%	0.782	S	S	*	*			trans	70.2	121.8	162.6	37.5	0	0	0	0	119.9
367	L	26.4	Very low	28.9	Very low	154 Å²	154	148.2 Å²	148.2	81%	0.806	78%	0.784	S	S	*	*			trans	-43.7	138.6	165.5	-76.9	61.4	0	0	0	113.5
368	H	32.7	Very low	28.8	Very low	172 Å²	172	148.1 Å²	148.1	80%	0.796	79%	0.788	S	S	*	*				-165	160	100.8	-116.8	-72.8	0	0	0	112.9
369	D	27.1	Very low	28.7	Very low	136 Å²	136	146.3 Å²	146.3	73%	0.727	78%	0.783	S	S	*	*			trans	-65.8	143.2	177	-53.5	-91.6	0	0	0	113.9
370	C	25.5	Very low	28.4	Very low	135 Å²	135	147.2 Å²	147.2	91%	0.912	78%	0.784	S	S	*	*			trans	-142.8	137.6	139.5	-97	0	0	0	0	109.3
371	T	26.6	Very low	28.2	Very low	132 Å²	132	151.7 Å²	151.7	81%	0.81	79%	0.793	S	S	*	*			trans	-90.6	144.9	-171.3	45.6	0	0	0	0	112.1
372	Y	27.5	Very low	28.2	Very low	222 Å²	222	151.2 Å²	151.2	87%	0.871	79%	0.791	S	S	*	*			trans	-137.9	142.3	156.6	-139.5	-94.5	0	0	0	110.6
373	S	29.2	Very low	28	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	79%	0.789	S	S	*	*			trans	-86.6	126	-163.2	33.6	0	0	0	0	113.3
374	Q	26.8	Very low	28	Very low	177 Å²	177	141.3 Å²	141.3	83%	0.827	79%	0.786	S	S	*	*			trans	-88.6	111.7	165.9	-69.4	-176.7	-8.5	0	0	110.1	S376	Q374-S376 PolarHBondContact O-N 2.92Å; Q374-S376 VanDerWaalsContact O-N 3.16Å
375	S	28	Very low	28	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	79%	0.792	S	S	*	*			trans	-83.4	78	174.6	42.2	0	0	0	0	111.7	F377	S375-F377 PolarHBondContact O-N 3.31Å
376	S	27.1	Very low	28.2	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	80%	0.795	S	S	*	*			trans	-72.3	92.1	178.9	-59	0	0	0	0	112.9	Q374 S378	Q374-S376 PolarHBondContact O-N 2.92Å; Q374-S376 VanDerWaalsContact O-N 3.16Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S376-S378 PolarHBondContact O-N 3.24Å; S376-S378 VanDerWaalsContact O-N 3.09Å
377	F	27.8	Very low	27.8	Very low	194 Å²	194	145.1 Å²	145.1	85%	0.851	79%	0.793	S	S	*	*			trans	-82.9	74.6	171.5	-105.4	-80.6	0	0	0	112.6	S375 L379	S375-F377 PolarHBondContact O-N 3.31Å; F377-L379 PolarHBondContact O-N 3.44Å
378	S	27.9	Very low	28	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	80%	0.795	S	S	*	*			trans	-76.5	94.2	169.5	-62.9	0	0	0	0	110.5	S376 N380	S376-S378 VanDerWaalsContact C-N 3.34Å; S376-S378 PolarHBondContact O-N 3.24Å; S376-S378 VanDerWaalsContact O-N 3.09Å; S378-N380 PolarHBondContact O-N 3.33Å
379	L	27.2	Very low	27.9	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	79%	0.794	S	S	*	*			trans	-66.5	103.4	170.5	-77.8	171.2	0	0	0	110.2	F377	F377-L379 PolarHBondContact O-N 3.44Å
380	N	26.8	Very low	28	Very low	132 Å²	132	146.6 Å²	146.6	71%	0.706	80%	0.803	S	S	*	*			trans	-124.3	75.4	-178.4	-166.1	31.2	0	0	0	110.2	S378 N382	S378-N380 PolarHBondContact O-N 3.33Å; N380-N382 PolarHBondContact O-N 2.86Å
381	Y	27.3	Very low	28.1	Very low	222 Å²	222	144.9 Å²	144.9	87%	0.871	79%	0.788	S	S	*	*			trans	-88.6	90.9	174.6	-97.7	-81.3	0	0	0	110.4
382	N	28.6	Very low	28.2	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	79%	0.787	S	S	*	*			trans	-87.4	133.8	157.6	-77.7	-26.9	0	0	0	108.7	N380	N380-N382 PolarHBondContact O-N 2.86Å
383	A	26.3	Very low	28.5	Very low	108 Å²	108	144.6 Å²	144.6	89%	0.893	79%	0.787	S	S	*	*			trans	-79.5	140	166.7	0	0	0	0	0	110.1
384	S	31	Very low	28.6	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	79%	0.791	S	S	*	*			trans	-156.7	136.9	162.5	56.5	0	0	0	0	108.7
385	D	28.4	Very low	29	Very low	148 Å²	148	142 Å²	142	79%	0.791	78%	0.784	S	S	*	*			trans	-66.3	162.5	-166.2	-46	-89.3	0	0	0	113.8
386	N	31.6	Very low	29	Very low	164 Å²	164	143.2 Å²	143.2	88%	0.877	78%	0.781	S	S	*	*				-164.6	146.7	109.8	-106.8	-76.5	0	0	0	113.2
387	L	24.7	Very low	29.4	Very low	150 Å²	150	145.6 Å²	145.6	79%	0.785	79%	0.792	S	S	*	*			trans	-83.4	151.5	175.1	-161.8	79.4	0	0	0	110.1
388	V	30.9	Very low	29.5	Very low	143 Å²	143	141.2 Å²	141.2	87%	0.867	79%	0.786	S	S	*	*			trans	-169.6	143.8	136.4	134.7	0	0	0	0	111.3
389	K	28.9	Very low	29.8	Very low	177 Å²	177	142.3 Å²	142.3	77%	0.77	79%	0.79	S	S	*	*			trans	-75.8	151.7	178.8	-59.3	161.6	179.1	169.7	0	111.6
390	L	29.1	Very low	30.1	Very low	173 Å²	173	141.2 Å²	141.2	91%	0.906	79%	0.789	S	S	*	*			trans	-151.9	160	139.1	-108.2	173.7	0	0	0	110
391	T	28.1	Very low	30.3	Very low	100 Å²	100	141.7 Å²	141.7	61%	0.613	79%	0.792	S	S	*	*			trans	-135.3	169	-150.5	53.9	0	0	0	0	115.5
392	N	30	Very low	30.5	Very low	145 Å²	145	136 Å²	136	78%	0.775	78%	0.784	S	S	*	*			trans	76.6	111.9	157.1	-57.7	-23.5	0	0	0	119.8
393	K	32.8	Very low	30.6	Very low	203 Å²	203	136.8 Å²	136.8	88%	0.883	79%	0.787	S	S	*	*				-167.1	100.7	100.5	-106.9	-177.9	175.6	-175.9	0	115.1
394	S	31	Very low	31	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	78%	0.783	S	S	*	*				47.2	148.9	115.8	-150.7	0	0	0	0	123.5
395	V	34.7	Very low	31.1	Very low	112 Å²	112	136.9 Å²	136.9	68%	0.679	78%	0.782	S	S	*	*			trans	109.6	95.7	153.2	-173.6	0	0	0	0	116.8
396	D	29.5	Very low	31.3	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	78%	0.776	S	S	*	*			trans	48.5	137.9	130.7	-39.6	-15.8	0	0	0	120
397	T	34.2	Very low	31.2	Very low	143 Å²	143	132.1 Å²	132.1	88%	0.877	77%	0.768	S	S	*	*				-154.5	-174.2	50.6	40.5	0	0	0	0	114.4
398	S	29.8	Very low	31.7	Very low	103 Å²	103	130.4 Å²	130.4	72%	0.72	76%	0.764	S	S	*	*			trans	-96.3	158.1	-159.5	54.1	0	0	0	0	118
399	P	34.4	Very low	31.8	Very low	125 Å²	125	129.8 Å²	129.8	81%	0.812	76%	0.756	S	S	*	*			trans	-93.9	162.7	176.1	38.6	-36.1	0	0	0	114.5
400	V	33.9	Very low	32	Very low	126 Å²	126	128.2 Å²	128.2	76%	0.764	75%	0.754	S	S	*	*			trans	-146.7	130.9	169.8	-172.1	0	0	0	0	111.7
401	D	30.3	Very low	32.1	Very low	143 Å²	143	126.3 Å²	126.3	77%	0.765	74%	0.744	S	S	*	*			trans	20.9	140.8	157	-48.5	-23.6	0	0	0	123.5
402	S	32.2	Very low	32.1	Very low	101 Å²	101	126 Å²	126	71%	0.706	75%	0.745	S	S	*	*				177.2	127.9	109.1	-80.5	0	0	0	0	115.5
403	I	31.7	Very low	32.3	Very low	151 Å²	151	130.2 Å²	130.2	77%	0.774	75%	0.75	S	S	*	*				48.3	123.1	126	-61.4	164.3	0	0	0	117.3
404	T	33.5	Very low	32.3	Very low	130 Å²	130	127.8 Å²	127.8	80%	0.798	75%	0.745	S	S	*	*			cis	-173.6	167	7	24.8	0	0	0	0	106.4
405	A	32.9	Very low	32.2	Very low	91 Å²	91	129.2 Å²	129.2	75%	0.752	75%	0.745	S	S	*	*			cis	-166.5	-155.6	-12.7	0	0	0	0	0	105.5
406	S	32.7	Very low	32.1	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	75%	0.749	S	S	*	*			cis	-164.1	157.3	5.9	-165.9	0	0	0	0	111.1
407	T	30	Very low	32.3	Very low	116 Å²	116	130.7 Å²	130.7	71%	0.712	75%	0.749	S	S	*	*			trans	34.7	137.2	147.2	51.6	0	0	0	0	122
408	T	35.2	Very low	32.4	Very low	115 Å²	115	133 Å²	133	71%	0.706	75%	0.749	S	S	*	*			cis	-156.7	153.3	17.6	-10.6	0	0	0	0	114.2
409	D	33.3	Very low	32.5	Very low	129 Å²	129	132.9 Å²	132.9	69%	0.69	75%	0.748	S	S	*	*			trans	69.7	163.5	156.2	-82.8	-66.9	0	0	0	119.4
410	I	31.9	Very low	32.2	Very low	144 Å²	144	132.4 Å²	132.4	74%	0.738	74%	0.743	S	S	*	*			cis	-139.1	140.2	9.4	-148.4	158	0	0	0	115.4
411	I	31.1	Very low	32.1	Very low	134 Å²	134	133.8 Å²	133.8	69%	0.687	74%	0.744	S	S	*	*			trans	32.7	96.7	148.5	-57.7	174.8	0	0	0	121.1
412	S	29.1	Very low	32	Very low	92 Å²	92	132 Å²	132	64%	0.643	74%	0.739	S	S	*	*				42.9	138.7	127.4	80.2	0	0	0	0	125.6
413	R	33.5	Very low	32	Very low	235 Å²	235	132.9 Å²	132.9	89%	0.887	74%	0.74	S	S	*	*				-163.5	93.4	122.6	-98.3	162.2	-157.4	-154.2	4.6	108.8
414	I	34.1	Very low	32	Very low	151 Å²	151	130.9 Å²	130.9	77%	0.774	74%	0.735	S	S	*	*				76	110.7	103.5	-68	167	0	0	0	113.3
415	N	27.9	Very low	31.9	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	73%	0.734	S	S	*	*			trans	-89.9	-179.4	167.5	-79.2	-23.7	0	0	0	111
416	N	32.9	Very low	32.1	Very low	144 Å²	144	133.5 Å²	133.5	77%	0.77	73%	0.731	S	S	*	*			trans	83	141.7	176.3	-47.7	-6.8	0	0	0	112.6
417	D	34.6	Very low	32.3	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	74%	0.735	S	S	*	*			cis	-133.4	147.3	8.5	-76.4	-73.5	0	0	0	112.1
418	H	36	Very low	32.3	Very low	192 Å²	192	137.2 Å²	137.2	89%	0.889	74%	0.74	S	S	*	*				174.9	149.9	112	-102.2	-78	0	0	0	112.3
419	S	31.3	Very low	32.3	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	75%	0.749	S	S	*	*			trans	-133.6	146.4	-165.6	58	0	0	0	0	114.7
420	T	28.4	Very low	32	Very low	116 Å²	116	138 Å²	138	71%	0.712	75%	0.754	S	S	*	*			trans	70.3	131.4	149.1	-50.8	0	0	0	0	120.1	T422	T420-T422 HydrophobicContact CG2-CG2 4.37Å
421	I	31.9	Very low	32	Very low	154 Å²	154	137.1 Å²	137.1	79%	0.79	76%	0.761	S	S	*	*			trans	166.2	97.6	138.4	-87.1	156.8	0	0	0	105.7
422	T	27.8	Very low	31.8	Very low	105 Å²	105	137.1 Å²	137.1	64%	0.644	77%	0.767	S	S	*	*				46	116.3	79.9	68.9	0	0	0	0	112.5	T420	T420-T422 HydrophobicContact CG2-CG2 4.37Å
423	T	32	Very low	32	Very low	121 Å²	121	139.1 Å²	139.1	74%	0.742	78%	0.775	S	S	*	*				179.4	162.4	63	46.5	0	0	0	0	109.1
424	T	32.1	Very low	31.8	Very low	109 Å²	109	133.7 Å²	133.7	67%	0.669	77%	0.769	S	S	*	*			cis	-174.3	153.6	-14.6	31.5	0	0	0	0	107.9
425	N	30.9	Very low	31.6	Very low	145 Å²	145	136.2 Å²	136.2	78%	0.775	77%	0.77	S	S	*	*			trans	69.1	153.2	164.4	-52.6	-8.8	0	0	0	115.2
426	D	37.3	Very low	32	Very low	130 Å²	130	138.2 Å²	138.2	70%	0.695	77%	0.772	S	S	*	*			cis	-151.2	146.4	45.6	-104.1	-30.5	0	0	0	116.4
427	N	38	Very low	31.7	Very low	139 Å²	139	140.3 Å²	140.3	74%	0.743	78%	0.777	S	S	*	*			trans	54.4	122	140.7	-56.1	-40.9	0	0	0	124
428	N	29.9	Very low	31.6	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	79%	0.786	S	S	*	*			trans	-66	154.8	154.8	-60.1	-71	0	0	0	112.1
429	T	33.6	Very low	31.3	Very low	148 Å²	148	139.2 Å²	139.2	91%	0.908	78%	0.775	S	S	*	*				-174.1	148.8	117.8	18.2	0	0	0	0	113
430	S	27.2	Very low	31.3	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	78%	0.784	S	S	*	*			trans	-90	148.2	178.9	-49.8	0	0	0	0	112.7
431	S	32.7	Very low	31.4	Very low	125 Å²	125	144.9 Å²	144.9	87%	0.874	79%	0.792	S	S	*	*			trans	-154.9	114.4	157.8	-84.3	0	0	0	0	112.2
432	T	26.9	Very low	31.4	Very low	134 Å²	134	143.3 Å²	143.3	82%	0.822	79%	0.794	S	S	*	*			trans	-90	138	173.1	49.1	0	0	0	0	111.2
433	T	32.9	Very low	31.4	Very low	133 Å²	133	143.5 Å²	143.5	82%	0.816	80%	0.8	S	S	*	*			trans	-130.7	132.5	160.2	50.2	0	0	0	0	110.8
434	T	28.6	Very low	31.4	Very low	122 Å²	122	145.3 Å²	145.3	75%	0.748	81%	0.805	S	S	*	*			trans	-115.4	134.3	-175.7	40	0	0	0	0	111
435	Y	30.3	Very low	31.2	Very low	204 Å²	204	146.6 Å²	146.6	80%	0.8	81%	0.813	S	S	*	*			trans	-134.6	87.4	169	-83.8	-73.9	0	0	0	114.6
436	K	36.1	Very low	31.4	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	81%	0.814	S	S	*	*			trans	56.5	108.9	136.5	-62.9	178.7	-178.9	176	0	119.4
437	H	27.6	Very low	30.9	Very low	187 Å²	187	145.6 Å²	145.6	87%	0.866	82%	0.824	S	S	*	*			trans	-51.2	153.8	146.2	-78.8	-113.3	0	0	0	112.2
438	K	33.3	Very low	30.6	Very low	212 Å²	212	148.5 Å²	148.5	92%	0.922	83%	0.825	S	S	*	*			trans	-139.2	115.3	140	-112.8	-177.4	179.1	-176.8	0	110.2
439	S	29	Very low	30.7	Very low	94 Å²	94	146.9 Å²	146.9	66%	0.657	81%	0.812	S	S	*	*			trans	-78.7	159	169	48.3	0	0	0	0	110.8
440	N	32	Very low	30.5	Very low	165 Å²	165	151 Å²	151	88%	0.882	81%	0.813	S	S	*	*			trans	-156.5	117	145.3	-100.7	-19.3	0	0	0	108.9
441	L	28.8	Very low	31	Very low	169 Å²	169	154.2 Å²	154.2	89%	0.885	81%	0.813	S	S	*	*			trans	-77	138	162.2	-93.6	62.5	0	0	0	108.1
442	S	31.6	Very low	30.9	Very low	120 Å²	120	154.7 Å²	154.7	84%	0.839	81%	0.81	S	S	*	*			trans	-149.6	121.9	153	-170.2	0	0	0	0	109.3
443	S	28.8	Very low	31.4	Very low	110 Å²	110	157.9 Å²	157.9	77%	0.769	81%	0.813	S	S	*	*			trans	-77.2	134.5	174.4	51.4	0	0	0	0	110.4
444	N	31.5	Very low	31.3	Very low	158 Å²	158	156.7 Å²	156.7	85%	0.845	81%	0.81	S	S	*	*			trans	-151.4	140.4	144.5	-134.7	-23.7	0	0	0	113.6
445	T	28.5	Very low	31.5	Very low	136 Å²	136	161.4 Å²	161.4	83%	0.834	81%	0.814	S	S	*	*			trans	-78	125.1	176.6	46.4	0	0	0	0	110.3
446	G	34.2	Very low	31.7	Very low	77 Å²	77	159.8 Å²	159.8	79%	0.794	81%	0.811	S	S	*	*			trans	-133.6	90.2	-176.8	0	0	0	0	0	113.2	R448	G446-R448 PolarHBondContact O-N 2.82Å
447	I	28.4	Very low	31.4	Very low	177 Å²	177	156.6 Å²	156.6	91%	0.908	81%	0.812	S	S	*	*			trans	-72.2	117.4	172	-60.1	167.6	0	0	0	108.9
448	R	31.4	Very low	31.7	Very low	200 Å²	200	154.6 Å²	154.6	76%	0.755	81%	0.807	S	S	*	*			trans	-156.6	117.5	161.2	-135.6	-178.9	169.8	111.7	23.5	118	G446	G446-R448 PolarHBondContact O-N 2.82Å
449	E	32.2	Very low	31.5	Very low	118 Å²	118	150.3 Å²	150.3	55%	0.551	80%	0.804	S	S	*	*			trans	41.9	101.7	141.2	-63.5	162.6	-170.6	0	0	120.2	K451	E449-K451 PolarHBondContact O-N 3.35Å
450	Y	28.8	Very low	32	Very low	233 Å²	233	152.2 Å²	152.2	91%	0.914	81%	0.812	S	S	*	*			trans	-69.6	105.8	154.9	-63.4	-77.6	0	0	0	110.8	T452	Y450-T452 PolarHBondContact O-N 2.84Å; Y450-T452 VanDerWaalsContact O-N 3.16Å
451	K	37.6	Very low	32	Very low	181 Å²	181	147.6 Å²	147.6	79%	0.787	80%	0.804	S	S	*	*			trans	-75.9	99.3	173.3	-84.5	176.3	176	166.4	0	111.5	E449	E449-K451 PolarHBondContact O-N 3.35Å
452	T	29.8	Very low	32	Very low	135 Å²	135	149.1 Å²	149.1	83%	0.828	80%	0.803	S	S	*	*			trans	-63.6	132.5	168.3	52.1	0	0	0	0	110.8	Y450	Y450-T452 PolarHBondContact O-N 2.84Å; Y450-T452 VanDerWaalsContact O-N 3.16Å
453	K	39	Very low	32.2	Very low	202 Å²	202	150.5 Å²	150.5	88%	0.878	80%	0.8	S	S	*	*			trans	-122.9	88.6	168.8	-80.1	-170.7	177.3	179.3	0	110.2
454	S	30.2	Very low	32.2	Very low	107 Å²	107	152 Å²	152	75%	0.748	80%	0.795	S	S	*	*			trans	-59.6	141.4	160.8	171.4	0	0	0	0	110.2
455	R	31.8	Very low	32.2	Very low	221 Å²	221	155.7 Å²	155.7	83%	0.834	80%	0.797	S	S	*	*				-172.2	140.5	120.3	-103.3	161.7	179.9	-178.1	0.2	115.9
456	K	34.6	Very low	32.3	Very low	171 Å²	171	157.8 Å²	157.8	74%	0.743	79%	0.794	S	S	*	*			trans	73.5	95.3	148	-69.6	-177.9	174.1	-170	0	119.1
457	S	29.6	Very low	32.5	Very low	115 Å²	115	160.1 Å²	160.1	80%	0.804	80%	0.798	S	S	*	*				-47.4	146.2	128.9	47.4	0	0	0	0	112.1
458	N	34.9	Very low	32.9	Very low	145 Å²	145	156.6 Å²	156.6	78%	0.775	79%	0.79	S	S	*	*			trans	-126.3	125.4	158.9	-99.5	1.4	0	0	0	107.9
459	S	29	Very low	32.9	Very low	123 Å²	123	154.9 Å²	154.9	86%	0.86	80%	0.795	S	S	*	*			trans	-106.5	120.1	172.2	177.6	0	0	0	0	109
460	T	39.1	Very low	33	Very low	133 Å²	133	153.7 Å²	153.7	82%	0.816	81%	0.805	S	S	*	*			trans	-154.3	132.9	173.9	50.3	0	0	0	0	107.9
461	G	32.1	Very low	33.2	Very low	69 Å²	69	147.4 Å²	147.4	71%	0.711	80%	0.796	S	S	*	*			cis	-176.9	151.7	-8	0	0	0	0	0	110	I463	G461-I463 PolarHBondContact O-N 3.2Å
462	F	28.3	Very low	32.8	Very low	200 Å²	200	143.7 Å²	143.7	88%	0.877	79%	0.793	S	S	*	*			trans	-64.3	129.6	178.5	-99.1	-107.9	0	0	0	111.7
463	I	36.2	Very low	32.9	Very low	150 Å²	150	144.9 Å²	144.9	77%	0.769	79%	0.788	S	S	*	*			trans	-131.4	99.1	150.8	-60.1	-175.7	0	0	0	108.7	G461 R465	G461-I463 PolarHBondContact O-N 3.2Å; I463-R465 HydrophobicContact CG2-CG 4.28Å
464	H	28.3	Very low	32.6	Very low	142 Å²	142	143 Å²	143	66%	0.657	79%	0.787	S	S	*	*			trans	-68.6	137.2	158.4	-111.5	-30.6	0	0	0	108.7
465	R	33.3	Very low	32.5	Very low	235 Å²	235	142.6 Å²	142.6	89%	0.887	78%	0.784	S	S	*	*			trans	-125.6	104	150.7	-72.8	-167.6	-180	-167.2	1.2	108.8	I463	I463-R465 HydrophobicContact CG2-CG 4.28Å
466	K	30.3	Very low	32.3	Very low	180 Å²	180	137.1 Å²	137.1	78%	0.783	78%	0.78	S	S	*	*			trans	-78.4	132.4	163.2	-66.2	177.1	175.9	-179.8	0	107.6
467	S	37.3	Very low	32.1	Very low	126 Å²	126	133.6 Å²	133.6	88%	0.881	78%	0.777	S	S	*	*			trans	-95.6	150	153.3	49.5	0	0	0	0	108.6
468	S	37.8	Very low	32.1	Very low	103 Å²	103	135 Å²	135	72%	0.72	78%	0.776	S	S	*	*			trans	-114.7	140.8	-158.6	52.8	0	0	0	0	114.5
469	N	29.8	Very low	32.1	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	78%	0.783	S	S	*	*			trans	33.4	104.2	141.8	-58.1	5.5	0	0	0	119.3
470	A	35.6	Very low	32	Very low	92 Å²	92	138.3 Å²	138.3	76%	0.76	78%	0.778	S	S	*	*			trans	-152.5	100.3	141.1	0	0	0	0	0	105.9
471	S	31.6	Very low	31.6	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	78%	0.777	S	S	*	*				102.2	122.2	63.7	60	0	0	0	0	110.1
472	S	31	Very low	31.7	Very low	103 Å²	103	145 Å²	145	72%	0.72	79%	0.785	S	S	*	*			trans	31.1	129.7	155.1	58.7	0	0	0	0	118.6
473	H	31.4	Very low	31.8	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.736	77%	0.773	S	S	*	*				-176.7	160.8	59.9	52.9	-71.7	0	0	0	112.9
474	L	32.4	Very low	31.5	Very low	162 Å²	162	140 Å²	140	85%	0.848	77%	0.773	S	S	*	*			trans	62.4	152.8	152.4	-80.8	156.9	0	0	0	120.1
475	S	27.4	Very low	31.6	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	78%	0.776	S	S	*	*			trans	-118.2	171.1	-172.8	56.3	0	0	0	0	111.6
476	S	28.7	Very low	31.4	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	78%	0.777	S	S	*	*			trans	80.1	145.7	164.7	85.3	0	0	0	0	118.7
477	S	29.3	Very low	31.6	Very low	98 Å²	98	138 Å²	138	69%	0.685	78%	0.776	S	S	*	*			trans	81.6	124.7	150.2	-49.2	0	0	0	0	119.9
478	N	29.7	Very low	31.3	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	77%	0.77	S	S	*	*			trans	71.7	73.9	144.5	-52.6	-9.1	0	0	0	119.4
479	K	35.1	Very low	31.1	Very low	212 Å²	212	145.4 Å²	145.4	92%	0.922	78%	0.779	S	S	*	*			trans	-141.8	70.1	136	-72.3	-155.7	177.7	-176.1	0	112.3
480	T	27.8	Very low	31.2	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	77%	0.765	S	S	*	*			trans	-65.8	166.8	145.2	42.8	0	0	0	0	109.6
481	E	29.5	Very low	31	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	77%	0.767	S	S	*	*			trans	63.2	82.9	171.5	-54.7	-176.4	162.2	0	0	117.1
482	I	35.8	Very low	31.1	Very low	170 Å²	170	146.9 Å²	146.9	87%	0.872	77%	0.771	S	S	*	*				-129.2	127.7	119.1	-63	-170.9	0	0	0	107.9
483	L	30.1	Very low	31.2	Very low	120 Å²	120	149.6 Å²	149.6	63%	0.628	78%	0.777	S	S	*	*			trans	-57.7	139.6	-171.4	-74.2	63.8	0	0	0	111.8
484	T	28.3	Very low	31.3	Very low	125 Å²	125	150 Å²	150	77%	0.767	78%	0.783	S	S	*	*				50.1	57.9	63.5	73.3	0	0	0	0	114.7
485	N	30.7	Very low	31.5	Very low	136 Å²	136	151.2 Å²	151.2	73%	0.727	78%	0.782	S	S	*	*			trans	-160.2	89.9	161.7	-97.9	-30.9	0	0	0	111.8
486	Y	30.3	Very low	31.8	Very low	229 Å²	229	151.9 Å²	151.9	90%	0.898	78%	0.782	S	S	*	*	S	Bend	trans	-170.7	35.6	148.5	-110.9	-65.9	0	0	0	112.9
487	I	33.1	Very low	32	Very low	151 Å²	151	154.2 Å²	154.2	77%	0.774	79%	0.786	S	S	*	*	S	Bend	trans	-129.7	147.5	163.3	-54.6	178.4	0	0	0	104.6
488	N	32.6	Very low	32.5	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	79%	0.79	S	S	*	*			trans	72.8	80.2	-167.9	-48.4	-4.9	0	0	0	113.5
489	R	33.1	Very low	32.8	Very low	246 Å²	246	155 Å²	155	93%	0.928	79%	0.791	S	S	*	*			trans	-129.4	55.1	150.1	-144	-179.2	-166.1	-166.4	2.9	110.1
490	D	32.2	Very low	33.3	Very low	107 Å²	107	152.9 Å²	152.9	57%	0.572	79%	0.79	S	S	*	*			trans	-68.9	134.4	177.6	-67.1	-81.9	0	0	0	112.3	V492	D490-V492 PolarHBondContact O-N 3.37Å
491	N	30.7	Very low	34.1	Very low	152 Å²	152	150.4 Å²	150.4	81%	0.813	79%	0.789	S	S	*	*			trans	47.7	62.2	135.4	-52.3	-34.7	0	0	0	118.7
492	V	34.5	Very low	34.6	Very low	130 Å²	130	150 Å²	150	79%	0.788	79%	0.793	S	S	*	*			trans	-138	130	161.3	-165.2	0	0	0	0	113.1	D490	D490-V492 PolarHBondContact O-N 3.37Å
493	L	33.4	Very low	35.3	Very low	160 Å²	160	150 Å²	150	84%	0.838	79%	0.794	S	S	*	*			trans	76.1	121	162.8	-122.4	66.2	0	0	0	121.6
494	L	32.4	Very low	36	Very low	167 Å²	167	152.7 Å²	152.7	87%	0.874	80%	0.804	S	S	*	*			trans	-86.9	137.4	156.6	-68.2	155.6	0	0	0	110.1
495	K	37.6	Very low	36.7	Very low	188 Å²	188	154.4 Å²	154.4	82%	0.817	81%	0.808	S	S	*	*			trans	-179.9	105.7	145.5	-102.4	166.6	177.5	-179.3	0	110
496	T	33.6	Very low	37.4	Very low	114 Å²	114	151.5 Å²	151.5	70%	0.699	81%	0.81	S	S	*	*				72.2	110.9	94.6	60.1	0	0	0	0	116.3
497	N	31.6	Very low	37.7	Very low	154 Å²	154	144 Å²	144	82%	0.824	80%	0.803	S	S	*	*			trans	52.5	99.7	138.4	-52.4	17.3	0	0	0	120.4
498	S	40.1	Very low	38.3	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	80%	0.804	S	S	*	*				-157.5	135.9	123.7	-82.7	0	0	0	0	104.9
499	D	36.9	Very low	38.9	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	80%	0.804	S	S	*	*				60.1	145.5	60.5	-80.2	-26.7	0	0	0	114.3
500	D	46	Very low	39.8	Very low	168 Å²	168	136.8 Å²	136.8	90%	0.898	80%	0.802	S	S	*	*			trans	66.3	131	-171.2	-49.6	-39.9	0	0	0	115.4
501	G	43.2	Very low	40.7	Very low	73 Å²	73	137 Å²	137	75%	0.753	80%	0.804	S	S	*	*			cis	-170	172	-5.4	0	0	0	0	0	111.4
502	D	40.5	Very low	41.5	Very low	163 Å²	163	136.6 Å²	136.6	87%	0.872	80%	0.802	S	S	*	*			trans	-71.9	145.8	177.8	-56.6	-76	0	0	0	112.4
503	D	49.5	Very low	42.5	Very low	169 Å²	169	138 Å²	138	90%	0.904	81%	0.805	S	S	*	*			trans	-143	114.2	160	-122.2	-25.1	0	0	0	108.4
504	E	45.2	Very low	43.2	Very low	177 Å²	177	139.8 Å²	139.8	83%	0.827	81%	0.809	S	S	*	*			trans	-84.6	176.1	179.8	-74.1	-160.8	145.1	0	0	112.4
505	N	44.5	Very low	44.4	Very low	161 Å²	161	139.3 Å²	139.3	86%	0.861	81%	0.807	S	S	*	*			trans	88.4	137.5	148.3	-149.6	-9.6	0	0	0	116.9
506	G	43.7	Very low	44.9	Very low	75 Å²	75	134.2 Å²	134.2	77%	0.773	81%	0.808	S	S	*	*			trans	154.4	40.6	-164.6	0	0	0	0	0	111.6
507	G	38.5	Very low	45.8	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	82%	0.818	S	S	*	*			trans	-68.9	156.6	-171.4	0	0	0	0	0	114.6
508	G	44.2	Very low	46.8	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	81%	0.811	S	S	*	*			trans	-148	96.1	170.8	0	0	0	0	0	109.5
509	N	46.4	Very low	47	Very low	139 Å²	139	137.7 Å²	137.7	74%	0.743	81%	0.813	S	S	*	*			trans	-73.1	129.7	172.4	-70.4	17.1	0	0	0	109.6
510	D	50.9	Low	47.4	Very low	167 Å²	167	137.9 Å²	137.9	89%	0.893	81%	0.814	S	S	*	*			trans	-123.4	128.8	145.9	-86.3	-49	0	0	0	105.4
511	N	52.1	Low	47.6	Very low	112 Å²	112	138.1 Å²	138.1	60%	0.599	82%	0.815	S	S	*	*			trans	-90.1	153	-153.8	-38.4	-79.6	0	0	0	114
512	D	47.5	Very low	47.8	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	82%	0.821	S	S	*	*			trans	15.6	114.9	133.4	-40.7	-29.8	0	0	0	117.8
513	D	56	Low	48.6	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	82%	0.821	S	S	*	*			trans	-142.1	79.2	151.7	-90.2	-37.1	0	0	0	106.4	D515	D513-D515 PolarHBondContact O-N 2.82Å
514	E	48.2	Very low	48.6	Very low	196 Å²	196	142.1 Å²	142.1	92%	0.916	82%	0.82	S	S	*	*			trans	-82.8	81	171.8	-77.1	-160.4	151.4	0	0	110.9
515	D	56.9	Low	49	Very low	157 Å²	157	141.3 Å²	141.3	84%	0.84	82%	0.821	S	S	*	*			trans	-108.5	101.7	160.6	-84.3	-41.5	0	0	0	109.1	D513	D513-D515 PolarHBondContact O-N 2.82Å
516	G	48.3	Very low	49.1	Very low	82 Å²	82	139.6 Å²	139.6	85%	0.845	81%	0.812	S	S	*	*			trans	-89	130	169	0	0	0	0	0	110.3
517	D	51.3	Low	49.3	Very low	168 Å²	168	141.5 Å²	141.5	90%	0.898	81%	0.813	S	S	*	*			trans	-137.4	157.3	173	-141	-24.4	0	0	0	112.6
518	S	54.3	Low	49.4	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	81%	0.811	S	S	*	*			trans	-80.5	162.8	-160.5	-176.3	0	0	0	0	114.4	N520	S518-N520 PolarHBondContact O-N 3.47Å
519	F	43.5	Very low	49.4	Very low	185 Å²	185	148 Å²	148	81%	0.811	81%	0.813	S	S	*	*			trans	-52.9	129.6	155	-56.9	-99	0	0	0	110.4
520	N	46	Very low	49	Very low	152 Å²	152	148 Å²	148	81%	0.813	81%	0.813	S	S	*	*			trans	165.8	131.1	130.1	-79.4	-18.4	0	0	0	108.9	S518	S518-N520 PolarHBondContact O-N 3.47Å
521	D	48.8	Very low	48.8	Very low	173 Å²	173	147.3 Å²	147.3	93%	0.925	81%	0.809	S	S	*	*			trans	-151.9	43.7	175.9	-111.6	-23.1	0	0	0	109.4
522	D	47.1	Very low	48.3	Very low	162 Å²	162	147 Å²	147	87%	0.866	82%	0.816	S	S	*	*			trans	-98	98.4	160.1	-83.5	-47.6	0	0	0	107.1
523	D	57.4	Low	48.4	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	81%	0.813	S	S	*	*			trans	-156.9	122.5	165	-106.3	-31.1	0	0	0	111.6
524	D	49.3	Very low	48.2	Very low	162 Å²	162	147.7 Å²	147.7	87%	0.866	81%	0.814	S	S	*	*			trans	-79.2	130.2	159.7	-91.5	-54.7	0	0	0	108.4
525	D	54.2	Low	48.4	Very low	160 Å²	160	144 Å²	144	86%	0.856	81%	0.81	S	S	*	*				-163.6	165.3	117.1	-138.2	-26.4	0	0	0	114.2
526	N	45.9	Very low	48.6	Very low	124 Å²	124	141.8 Å²	141.8	66%	0.663	81%	0.807	S	S	*	*			trans	-95.7	120.5	-174	146.1	56.4	0	0	0	112	N528	N526-N528 PolarHBondContact OD1-ND2 2.93Å
527	S	48.2	Very low	49.3	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	81%	0.809	S	S	*	*			trans	-140	111.1	161.8	-168.8	0	0	0	0	112.2	N529	S527-N529 PolarHBondContact O-N 3.27Å
528	N	41.3	Very low	50.3	Low	132 Å²	132	150.9 Å²	150.9	71%	0.706	81%	0.808	S	S	*	*			trans	-71	124.3	170.5	-82.3	-88.1	0	0	0	110.4	N526	N526-N528 PolarHBondContact OD1-ND2 2.93Å
529	N	43	Very low	51.3	Low	155 Å²	155	156.5 Å²	156.5	83%	0.829	82%	0.815	S	S	*	*			trans	-156.3	146.8	138	-110.2	-48.7	0	0	0	114.2	S527	S527-N529 PolarHBondContact O-N 3.27Å
530	N	40	Very low	52.9	Low	139 Å²	139	158.3 Å²	158.3	74%	0.743	82%	0.816	S	S	*	*			trans	-85.3	130.7	-177	-60.1	-85.8	0	0	0	110.6
531	N	45	Very low	54.7	Low	151 Å²	151	158.5 Å²	158.5	81%	0.807	81%	0.812	S	S	*	*			trans	178.7	112.5	130.6	-94	-37.9	0	0	0	115
532	S	41.9	Very low	56.5	Low	107 Å²	107	160.2 Å²	160.2	75%	0.748	81%	0.805	S	S	*	*			trans	67.1	164.5	134.9	75.8	0	0	0	0	122.2
533	V	50.3	Low	58.4	Low	117 Å²	117	154.4 Å²	154.4	71%	0.709	78%	0.776	S	S	*	*			trans	67.6	85.5	164.9	-161.8	0	0	0	0	119.3	S535	V533-S535 PolarHBondContact O-N 2.81Å
534	K	50.9	Low	60.1	Low	201 Å²	201	153.9 Å²	153.9	87%	0.874	77%	0.771	S	S	*	*				44.3	65.7	127	-54	172.9	-175	172	0	117.5	S536	K534-S536 PolarHBondContact O-N 2.87Å
535	S	53.5	Low	62.3	Low	119 Å²	119	148.6 Å²	148.6	83%	0.832	74%	0.741	S	S	*	*			trans	-65.9	99.8	166.7	45.8	0	0	0	0	111.4	V533 K537	V533-S535 PolarHBondContact O-N 2.81Å; S535-K537 PolarHBondContact O-N 3.31Å
536	S	60.4	Low	64.3	Low	110 Å²	110	144.8 Å²	144.8	77%	0.769	72%	0.723	S	S	*	*			trans	-58.4	135.3	168.1	-173.5	0	0	0	0	109.3	K534 R538	K534-S536 PolarHBondContact O-N 2.87Å; S536-R538 PolarHBondContact O-N 2.97Å
537	K	62.5	Low	66.7	Low	204 Å²	204	143.1 Å²	143.1	89%	0.887	72%	0.721	S	S	*	*			trans	-66.6	94.3	-175.8	-85.2	173.3	172.7	169.9	0	110.5	S535 R539	S535-K537 PolarHBondContact O-N 3.31Å; K537-R539 PolarHBondContact O-N 3.1Å
538	R	72.7	Confident	69	Low	236 Å²	236	139.7 Å²	139.7	89%	0.891	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-46.2	124.9	171.9	-87.5	-173.9	161.2	-162.9	-6	109.1	S536 R540	S536-R538 PolarHBondContact O-N 2.97Å; R538-R540 PolarHBondContact O-N 3.33Å
539	R	75.3	Confident	71.7	Confident	217 Å²	217	134.8 Å²	134.8	82%	0.819	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-74.2	120.7	-176.6	-160.1	179.4	75.2	164.3	-0.6	108.4	K537 H541	K537-R539 PolarHBondContact O-N 3.1Å; R539-H541 PolarHBondContact O-N 3.22Å
540	R	77.4	Confident	74.3	Confident	223 Å²	223	130.8 Å²	130.8	84%	0.842	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-49.3	130.4	-177.9	-170	-175.7	-68	-175.7	-2.5	110.8	R538 R542	R538-R540 PolarHBondContact O-N 3.33Å; R540-R542 PolarHBondContact O-N 2.96Å
541	H	83.6	Confident	77	Confident	156 Å²	156	129 Å²	129	72%	0.722	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-58.7	135.7	-176.4	-67.7	-108.1	0	0	0	111.1	R539	R539-H541 PolarHBondContact O-N 3.22Å
542	R	86.2	Confident	79.5	Confident	208 Å²	208	124.5 Å²	124.5	79%	0.785	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-84.3	127.8	177.6	167.9	176.6	-76.3	173.7	-4.9	108.6	R540 I544	R540-R542 PolarHBondContact O-N 2.96Å; R542-I544 PolarHBondContact O-N 3.4Å
543	T	87.9	Confident	82.1	Confident	40 Å²	40	119.4 Å²	119.4	25%	0.245	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-61.5	127.1	168.5	-54.9	0	0	0	0	109.7	F545 L577 R581	T543-F545 HydrophobicContact CG2-CD1 3.91Å; T543-F545 HydrophobicContact CG2-CE1 3.58Å; T543-F545 HydrophobicContact CG2-CE2 4.28Å; T543-F545 HydrophobicContact CG2-CG 4.42Å; T543-F545 HydrophobicContact CG2-CZ 3.79Å; T543-L577 HydrophobicContact CG2-CD2 4.43Å; T543-R581 WeakPolarHBondContact OG1-CD 3.46Å; T543-R581 VanDerWaalsContact OG1-CZ 3.31Å; T543-R581 PolarHBondContact OG1-NE 3.47Å; T543-R581 PolarHBondContact OG1-NH1 3.48Å
544	I	92.7	Very high	84.4	Confident	156 Å²	156	116.4 Å²	116.4	80%	0.8	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-92	141.4	161.5	-56.8	175.1	0	0	0	105.9	R542	R542-I544 PolarHBondContact O-N 3.4Å
545	F	94.8	Very high	86.6	Confident	50 Å²	50	112 Å²	112	22%	0.219	54%	0.544	C	S	.	.			trans	-113.1	138.3	178.6	-60.1	-78.1	0	0	0	108.9	T543 Q549 L550 L553 L577 W585	T543-F545 HydrophobicContact CG2-CD1 3.91Å; T543-F545 HydrophobicContact CG2-CE1 3.58Å; T543-F545 HydrophobicContact CG2-CE2 4.28Å; T543-F545 HydrophobicContact CG2-CG 4.42Å; T543-F545 HydrophobicContact CG2-CZ 3.79Å; F545-Q549 HydrophobicContact CB-CB 4.41Å; F545-L550 HydrophobicContact CB-CD1 4.4Å; F545-L550 HydrophobicContact CB-CD2 3.75Å; F545-L550 HydrophobicContact CB-CG 3.79Å; F545-L550 HydrophobicContact CD2-CD2 4.28Å; F545-L550 HydrophobicContact CG-CD2 4.18Å; F545-L553 HydrophobicContact CD1-CD1 4.17Å; F545-L553 HydrophobicContact CE1-CD1 4.35Å; F545-L577 HydrophobicContact CD1-CD1 3.66Å; F545-L577 HydrophobicContact CD1-CD2 3.82Å; F545-L577 HydrophobicContact CD1-CG 4.41Å; F545-L577 HydrophobicContact CE1-CD1 3.77Å; F545-L577 HydrophobicContact CE1-CD2 3.86Å; F545-L577 HydrophobicContact CE1-CG 4.47Å; F545-W585 AromaticContact CE2-CD1 3.74Å; F545-W585 HydrophobicContact CZ-CB 4.26Å; F545-W585 AromaticContact CZ-CD1 3.91Å; F545-W585 HydrophobicContact CZ-CG 4.47Å
546	T	96.8	Very high	88.7	Confident	81 Å²	81	107.2 Å²	107.2	50%	0.497	51%	0.511	S	S	.	.			trans	-71.2	163.1	174	73.3	0	0	0	0	111.1	G548 Q549 L550	T546-G548 VanDerWaalsContact C-N 3.31Å; T546-G548 PolarHBondContact O-N 2.78Å; T546-Q549 WeakPolarHBondContact O-CB 3.43Å; T546-Q549 PolarHBondContact O-N 3.18Å; T546-Q549 WeakPolarHBondContact OG1-CB 3.41Å; T546-Q549 WeakPolarHBondContact OG1-CG 3.31Å; T546-Q549 PolarHBondContact OG1-N 3.05Å; T546-L550 WeakPolarHBondContact O-CG 3.45Å; T546-L550 PolarHBondContact O-N 2.86Å
547	S	96.4	Very high	90.4	Very high	88 Å²	88	102 Å²	102	62%	0.615	48%	0.475	S	S	*	.	H	α-helix	trans	-58.7	-42.7	175.3	-175.5	0	0	0	0	111.8	Q549 L550 N551	S547-Q549 PolarHBondContact O-N 2.76Å; S547-L550 PolarHBondContact O-N 2.99Å; S547-N551 PolarHBondContact O-N 3.21Å; S547-N551 PolarHBondContact O-ND2 3.25Å
548	G	96.7	Very high	92	Very high	44 Å²	44	98.9 Å²	98.9	45%	0.454	46%	0.463	S	S	.	.	H	α-helix	trans	-60.7	-44	175.6	0	0	0	0	0	113.1	T546 N551 E552	T546-G548 VanDerWaalsContact C-N 3.31Å; T546-G548 PolarHBondContact O-N 2.78Å; G548-N551 PolarHBondContact O-N 2.87Å; G548-E552 PolarHBondContact O-N 3.38Å; G548-E552 VanDerWaalsContact O-N 3.13Å
549	Q	97.4	Very high	93.1	Very high	28 Å²	28	94.3 Å²	94.3	13%	0.131	45%	0.451	C	S	.	.	H	α-helix	trans	-60.3	-45.5	174.4	-78	174.3	-19.3	0	0	112.3	F545 T546 S547 N551 E552 L553 A575 L577	F545-Q549 HydrophobicContact CB-CB 4.41Å; T546-Q549 WeakPolarHBondContact O-CB 3.43Å; T546-Q549 PolarHBondContact O-N 3.18Å; T546-Q549 WeakPolarHBondContact OG1-CB 3.41Å; T546-Q549 WeakPolarHBondContact OG1-CG 3.31Å; T546-Q549 PolarHBondContact OG1-N 3.05Å; S547-Q549 PolarHBondContact O-N 2.76Å; Q549-N551 VanDerWaalsContact C-N 3.32Å; Q549-N551 PolarHBondContact O-N 3.42Å; Q549-E552 PolarHBondContact O-N 2.95Å; Q549-L553 WeakPolarHBondContact O-CB 3.49Å; Q549-L553 WeakPolarHBondContact O-CD1 3.45Å; Q549-L553 WeakPolarHBondContact O-CG 3.25Å; Q549-L553 PolarHBondContact O-N 3.46Å; Q549-A575 HydrophobicContact CG-CB 4.47Å; Q549-A575 VanDerWaalsContact CG-O 3.24Å; Q549-A575 WeakPolarHBondContact CG-O 3.27Å; Q549-A575 PolarHBondContact NE2-O 3.41Å; Q549-L577 HydrophobicContact CB-CD1 4.12Å; Q549-L577 HydrophobicContact CG-CD1 4.06Å; Q549-L577 HydrophobicContact CG-CG 4.26Å
550	L	97.2	Very high	94.1	Very high	71 Å²	71	85.3 Å²	85.3	37%	0.372	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-37.7	177.6	-70.5	174.4	0	0	0	112.1	F545 T546 S547 E554	F545-L550 HydrophobicContact CB-CD1 4.4Å; F545-L550 HydrophobicContact CB-CD2 3.75Å; F545-L550 HydrophobicContact CB-CG 3.79Å; F545-L550 HydrophobicContact CD2-CD2 4.28Å; F545-L550 HydrophobicContact CG-CD2 4.18Å; T546-L550 WeakPolarHBondContact O-CG 3.45Å; T546-L550 PolarHBondContact O-N 2.86Å; S547-L550 PolarHBondContact O-N 2.99Å; L550-E554 WeakPolarHBondContact O-CB 3.44Å; L550-E554 PolarHBondContact O-N 3.27Å
551	N	97.2	Very high	95	Very high	103 Å²	103	77.5 Å²	77.5	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-64.4	-42.8	177.4	-67.8	-23.5	0	0	0	112.3	S547 G548 Q549 K555	S547-N551 PolarHBondContact O-N 3.21Å; S547-N551 PolarHBondContact O-ND2 3.25Å; G548-N551 PolarHBondContact O-N 2.87Å; Q549-N551 VanDerWaalsContact C-N 3.32Å; Q549-N551 PolarHBondContact O-N 3.42Å; N551-K555 VanDerWaalsContact O-CB 3.29Å; N551-K555 WeakPolarHBondContact O-CB 3.44Å; N551-K555 PolarHBondContact O-N 3.07Å
552	E	97	Very high	95.7	Very high	55 Å²	55	77.5 Å²	77.5	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-71.1	-39.7	176.9	-76.7	-66.2	175.3	0	0	112.7	G548 Q549 K555 A556 L571 K574	G548-E552 PolarHBondContact O-N 3.38Å; G548-E552 VanDerWaalsContact O-N 3.13Å; Q549-E552 PolarHBondContact O-N 2.95Å; E552-K555 PolarHBondContact O-N 3.47Å; E552-A556 WeakPolarHBondContact O-CB 3.39Å; E552-A556 PolarHBondContact O-N 3.36Å; E552-L571 HydrophobicContact CB-CD1 4.45Å; E552-K574 VanDerWaalsContact CD-CE 3.4Å; E552-K574 WeakPolarHBondContact OE1-CE 3.37Å; E552-K574 IonicContact OE1-NZ 3.06Å; E552-K574 PolarHBondContact OE1-NZ 3.33Å; E552-K574 WeakPolarHBondContact OE2-CE 3.46Å; E552-K574 IonicContact OE2-NZ 3.38Å; E552-K574 PolarHBondContact OE2-NZ 2.84Å
553	L	98	Very high	96.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-42.1	173.5	-70.8	166.1	0	0	0	112	F545 Q549 F557 L571 L577 I582 W585 F586	F545-L553 HydrophobicContact CD1-CD1 4.17Å; F545-L553 HydrophobicContact CE1-CD1 4.35Å; Q549-L553 WeakPolarHBondContact O-CB 3.49Å; Q549-L553 WeakPolarHBondContact O-CD1 3.45Å; Q549-L553 WeakPolarHBondContact O-CG 3.25Å; Q549-L553 PolarHBondContact O-N 3.46Å; L553-F557 WeakPolarHBondContact O-CB 3.32Å; L553-F557 PolarHBondContact O-N 3.07Å; L553-L571 HydrophobicContact CD2-CD2 3.98Å; L553-L571 HydrophobicContact CD2-CG 4.42Å; L553-L577 HydrophobicContact CD1-CD1 3.76Å; L553-L577 HydrophobicContact CD2-CD1 4.48Å; L553-L577 HydrophobicContact CG-CD1 4.37Å; L553-I582 HydrophobicContact CD2-CD1 4.42Å; L553-I582 HydrophobicContact CD2-CG1 4.08Å; L553-I582 HydrophobicContact CD2-CG2 4.14Å; L553-W585 VanDerWaalsContact C-CH2 3.45Å; L553-W585 HydrophobicContact CB-CD2 3.96Å; L553-W585 HydrophobicContact CB-CE3 4Å; L553-W585 HydrophobicContact CB-CH2 3.74Å; L553-W585 HydrophobicContact CB-CZ2 3.65Å; L553-W585 HydrophobicContact CB-CZ3 3.91Å; L553-W585 HydrophobicContact CD1-CD2 4.02Å; L553-W585 HydrophobicContact CD1-CG 3.95Å; L553-W585 HydrophobicContact CD2-CD2 4.28Å; L553-W585 HydrophobicContact CD2-CE3 4.21Å; L553-W585 HydrophobicContact CG-CD2 4.33Å; L553-W585 VanDerWaalsContact O-CH2 3.32Å; L553-W585 WeakPolarHBondContact O-CH2 3.42Å; L553-W585 WeakPolarHBondContact O-CZ3 3.3Å; L553-F586 HydrophobicContact CD2-CE2 4.25Å
554	E	97.7	Very high	96.5	Very high	55 Å²	55	71.4 Å²	71.4	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-71.9	-38.4	179	-164.8	71.7	-174.9	0	0	111.8	L550 F557 H558 W585 R589	L550-E554 WeakPolarHBondContact O-CB 3.44Å; L550-E554 PolarHBondContact O-N 3.27Å; E554-F557 WeakPolarHBondContact O-CB 3.42Å; E554-F557 PolarHBondContact O-N 3.47Å; E554-H558 PolarHBondContact O-CD2 2.78Å; E554-H558 PolarHBondContact O-N 2.64Å; E554-W585 WeakPolarHBondContact OE2-CH2 3.42Å; E554-W585 WeakPolarHBondContact OE2-CZ2 3.23Å; E554-R589 IonicContact OE1-CZ 3.95Å; E554-R589 IonicContact OE1-NE 2.7Å; E554-R589 PolarHBondContact OE1-NE 2.88Å; E554-R589 IonicContact OE1-NH2 2.65Å; E554-R589 PolarHBondContact OE1-NH2 3.36Å; E554-R589 VanDerWaalsContact OE2-CD 3.27Å; E554-R589 WeakPolarHBondContact OE2-CD 3.45Å; E554-R589 IonicContact OE2-CZ 2.72Å; E554-R589 IonicContact OE2-NE 3.9Å; E554-R589 PolarHBondContact OE2-NE 3.38Å
555	K	96.9	Very high	96.7	Very high	108 Å²	108	67.1 Å²	67.1	47%	0.47	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-52.1	170.7	177.3	177.1	171.7	173.2	0	111.1	N551 E552 F557 H558 E559	N551-K555 VanDerWaalsContact O-CB 3.29Å; N551-K555 WeakPolarHBondContact O-CB 3.44Å; N551-K555 PolarHBondContact O-N 3.07Å; E552-K555 PolarHBondContact O-N 3.47Å; K555-F557 PolarHBondContact O-N 3.41Å; K555-H558 WeakPolarHBondContact O-CB 3.35Å; K555-H558 PolarHBondContact O-N 2.86Å; K555-H558 VanDerWaalsContact O-N 3.1Å; K555-E559 WeakPolarHBondContact CE-OE1 3.16Å; K555-E559 IonicContact NZ-OE1 2.64Å; K555-E559 PolarHBondContact O-N 2.96Å
556	A	97.2	Very high	96.8	Very high	18 Å²	18	72.3 Å²	72.3	15%	0.149	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-29.9	177	0	0	0	0	0	112.5	E552 E559 A560 L571 F586	E552-A556 WeakPolarHBondContact O-CB 3.39Å; E552-A556 PolarHBondContact O-N 3.36Å; A556-E559 PolarHBondContact O-N 3.28Å; A556-A560 PolarHBondContact O-N 3.44Å; A556-L571 HydrophobicContact CB-CD1 3.95Å; A556-L571 HydrophobicContact CB-CD2 3.5Å; A556-L571 VanDerWaalsContact CB-CD2 3.5Å; A556-L571 HydrophobicContact CB-CG 4.37Å; A556-F586 HydrophobicContact CB-CZ 4.06Å
557	F	97.5	Very high	96.7	Very high	1 Å²	1	73 Å²	73	0%	0.004	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-39.2	172.8	-170.8	-100.4	0	0	0	112.7	L553 E554 K555 A560 H561 W585 F586 R589 R590 W593	L553-F557 WeakPolarHBondContact O-CB 3.32Å; L553-F557 PolarHBondContact O-N 3.07Å; E554-F557 WeakPolarHBondContact O-CB 3.42Å; E554-F557 PolarHBondContact O-N 3.47Å; K555-F557 PolarHBondContact O-N 3.41Å; F557-A560 CarbonylContact O-C 3.15Å; F557-H561 AromaticContact CD1-CD2 3.65Å; F557-H561 AromaticContact CE1-CD2 3.24Å; F557-H561 WeakPolarHBondContact CE1-CD2 3.15Å; F557-H561 AromaticContact CE1-NE2 3.51Å; F557-H561 HydrophobicContact CE2-CB 4.35Å; F557-H561 AromaticContact CE2-CD2 3.77Å; F557-H561 HydrophobicContact CZ-CB 4.47Å; F557-H561 AromaticContact CZ-CD2 3.3Å; F557-H561 WeakPolarHBondContact CZ-CD2 3.4Å; F557-H561 AromaticContact CZ-NE2 3.93Å; F557-H561 PolarHBondContact O-CD2 3.29Å; F557-H561 PolarHBondContact O-N 2.88Å; F557-W585 HydrophobicContact CB-CH2 3.97Å; F557-W585 HydrophobicContact CB-CZ3 3.97Å; F557-W585 HydrophobicContact CD2-CZ3 4.16Å; F557-W585 HydrophobicContact CG-CH2 4.38Å; F557-W585 HydrophobicContact CG-CZ3 4.32Å; F557-F586 HydrophobicContact CB-CE1 4.11Å; F557-F586 HydrophobicContact CB-CZ 4.37Å; F557-F586 AromaticContact CD2-CD1 3.79Å; F557-F586 HydrophobicContact CD2-CD1 3.79Å; F557-F586 AromaticContact CD2-CE1 3.74Å; F557-F586 HydrophobicContact CD2-CE1 3.74Å; F557-F586 HydrophobicContact CE2-CD1 4.44Å; F557-F586 HydrophobicContact CG-CE1 4.42Å; F557-R589 HydrophobicContact CB-CG 4.39Å; F557-R589 HydrophobicContact CD1-CG 3.69Å; F557-R589 HydrophobicContact CD2-CB 3.96Å; F557-R589 HydrophobicContact CD2-CG 3.42Å; F557-R589 VanDerWaalsContact CD2-CG 3.42Å; F557-R589 HydrophobicContact CE1-CG 3.75Å; F557-R589 HydrophobicContact CE2-CB 3.88Å; F557-R589 HydrophobicContact CE2-CG 3.49Å; F557-R589 VanDerWaalsContact CE2-CG 3.49Å; F557-R589 HydrophobicContact CG-CG 3.54Å; F557-R589 HydrophobicContact CZ-CB 4.38Å; F557-R589 HydrophobicContact CZ-CG 3.66Å; F557-R590 HydrophobicContact CE2-CG 3.79Å; F557-R590 HydrophobicContact CZ-CG 4.31Å; F557-W593 HydrophobicContact CE1-CB 4.2Å; F557-W593 HydrophobicContact CE1-CG 4.23Å; F557-W593 HydrophobicContact CZ-CB 3.85Å; F557-W593 HydrophobicContact CZ-CD2 4.43Å; F557-W593 HydrophobicContact CZ-CG 4.03Å
558	H	95.6	Very high	96.8	Very high	138 Å²	138	70.4 Å²	70.4	64%	0.639	35%	0.348	S	S	*	.	H	α-helix	trans	-68.9	-33.5	173.7	-75.6	-65.1	0	0	0	113	E554 K555	E554-H558 PolarHBondContact O-CD2 2.78Å; E554-H558 PolarHBondContact O-N 2.64Å; K555-H558 WeakPolarHBondContact O-CB 3.35Å; K555-H558 PolarHBondContact O-N 2.86Å; K555-H558 VanDerWaalsContact O-N 3.1Å
559	E	95.5	Very high	96.8	Very high	140 Å²	140	73 Å²	73	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-72.2	-43.4	174.8	-69.1	172.5	-167.5	0	0	111.9	K555 A556	K555-E559 WeakPolarHBondContact CE-OE1 3.16Å; K555-E559 IonicContact NZ-OE1 2.64Å; K555-E559 PolarHBondContact O-N 2.96Å; A556-E559 PolarHBondContact O-N 3.28Å
560	A	96.2	Very high	96.8	Very high	28 Å²	28	75.8 Å²	75.8	23%	0.231	36%	0.364	C	S	.	.			trans	-151.2	114.2	175.7	0	0	0	0	0	112.6	A556 F557 Y562 P563 F586	A556-A560 PolarHBondContact O-N 3.44Å; F557-A560 CarbonylContact O-C 3.15Å; A560-Y562 PolarHBondContact O-N 2.73Å; A560-Y562 VanDerWaalsContact O-N 3.15Å; A560-P563 WeakPolarHBondContact O-CD 3.44Å; A560-F586 WeakPolarHBondContact O-CE1 3.47Å
561	H	96.1	Very high	96.7	Very high	59 Å²	59	73 Å²	73	27%	0.273	35%	0.349	S	S	.	.	S	Bend	trans	-62.3	-22	174.1	-65.9	146.6	0	0	0	114.1	F557 R590 W593	F557-H561 AromaticContact CD1-CD2 3.65Å; F557-H561 AromaticContact CE1-CD2 3.24Å; F557-H561 WeakPolarHBondContact CE1-CD2 3.15Å; F557-H561 AromaticContact CE1-NE2 3.51Å; F557-H561 HydrophobicContact CE2-CB 4.35Å; F557-H561 AromaticContact CE2-CD2 3.77Å; F557-H561 HydrophobicContact CZ-CB 4.47Å; F557-H561 AromaticContact CZ-CD2 3.3Å; F557-H561 WeakPolarHBondContact CZ-CD2 3.4Å; F557-H561 AromaticContact CZ-NE2 3.93Å; F557-H561 PolarHBondContact O-CD2 3.29Å; F557-H561 PolarHBondContact O-N 2.88Å; H561-R590 VanDerWaalsContact O-CD 3.25Å; H561-R590 WeakPolarHBondContact O-CD 3.3Å; H561-R590 WeakPolarHBondContact O-CG 3.35Å; H561-R590 PolarHBondContact O-NH1 3.33Å; H561-W593 AromaticContact CE1-CE2 3.59Å; H561-W593 AromaticContact CE1-CZ2 3.67Å; H561-W593 AromaticContact CE1-NE1 3.7Å; H561-W593 AromaticContact ND1-CE2 3.94Å; H561-W593 AromaticContact ND1-CZ2 3.72Å; H561-W593 AromaticContact NE2-NE1 3.92Å
562	Y	97.8	Very high	96.7	Very high	156 Å²	156	69.4 Å²	69.4	61%	0.612	33%	0.332	S	S	*	.	S	Bend	trans	-132.2	71.2	-176.7	-71	-101.8	0	0	0	110.6	A560	A560-Y562 PolarHBondContact O-N 2.73Å; A560-Y562 VanDerWaalsContact O-N 3.15Å
563	P	96.5	Very high	96.7	Very high	13 Å²	13	73.5 Å²	73.5	8%	0.084	35%	0.353	C	S	.	.			trans	-71.5	138.3	-178.3	29.6	-34.3	0	0	0	111.6	A560 Q567 R568 F586	A560-P563 WeakPolarHBondContact O-CD 3.44Å; P563-Q567 VanDerWaalsContact CA-OE1 3.31Å; P563-Q567 HydrophobicContact CB-CB 3.88Å; P563-R568 HydrophobicContact CB-CG 3.76Å; P563-R568 HydrophobicContact CG-CG 3.59Å; P563-R568 PolarHBondContact O-NH1 3.42Å; P563-F586 VanDerWaalsContact CD-CD1 3.42Å; P563-F586 HydrophobicContact CG-CD1 3.63Å; P563-F586 HydrophobicContact CG-CD2 4.26Å; P563-F586 HydrophobicContact CG-CE1 3.5Å; P563-F586 HydrophobicContact CG-CE2 4.18Å; P563-F586 HydrophobicContact CG-CG 4.02Å; P563-F586 HydrophobicContact CG-CZ 3.81Å
564	D	96.3	Very high	96.6	Very high	107 Å²	107	78.8 Å²	78.8	57%	0.572	38%	0.376	S	S	*	.			trans	-76.2	168.9	176.2	-168	26	0	0	0	112.3	Y566 Q567 R568	D564-Y566 PolarHBondContact O-N 3.04Å; D564-Q567 WeakPolarHBondContact O-CB 3.34Å; D564-Q567 PolarHBondContact O-N 2.89Å; D564-R568 VanDerWaalsContact C-NH1 3.29Å; D564-R568 WeakPolarHBondContact O-CG 3.41Å; D564-R568 PolarHBondContact O-N 3.27Å
565	V	95.5	Very high	96.4	Very high	67 Å²	67	76.5 Å²	76.5	41%	0.406	37%	0.367	S	S	.	.	H	α-helix	trans	-46.1	-56.6	-175.2	-176.7	0	0	0	0	111.7	Q567 R568 E569	V565-Q567 VanDerWaalsContact C-N 3.3Å; V565-Q567 PolarHBondContact O-N 3.02Å; V565-R568 PolarHBondContact O-N 3.5Å; V565-E569 HydrophobicContact CG1-CG 4.35Å; V565-E569 WeakPolarHBondContact O-CG 3.5Å; V565-E569 PolarHBondContact O-N 3.09Å
566	Y	96.5	Very high	96.4	Very high	158 Å²	158	79.6 Å²	79.6	62%	0.62	38%	0.383	S	S	*	.	H	α-helix	trans	-58.9	-36.2	179.9	176.5	-104.6	0	0	0	113.9	D564 R568 L570	D564-Y566 PolarHBondContact O-N 3.04Å; Y566-R568 VanDerWaalsContact C-N 3.34Å; Y566-L570 WeakPolarHBondContact O-CB 3.45Å; Y566-L570 PolarHBondContact O-N 2.81Å
567	Q	96.3	Very high	96.3	Very high	96 Å²	96	79.2 Å²	79.2	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-70.3	-33.8	178.2	-65.1	179.2	-63.5	0	0	111.7	P563 D564 V565 L571	P563-Q567 VanDerWaalsContact CA-OE1 3.31Å; P563-Q567 HydrophobicContact CB-CB 3.88Å; D564-Q567 WeakPolarHBondContact O-CB 3.34Å; D564-Q567 PolarHBondContact O-N 2.89Å; V565-Q567 VanDerWaalsContact C-N 3.3Å; V565-Q567 PolarHBondContact O-N 3.02Å; Q567-L571 WeakPolarHBondContact O-CB 3.39Å; Q567-L571 PolarHBondContact O-N 3.41Å; Q567-L571 VanDerWaalsContact O-N 3.13Å
568	R	97.3	Very high	96.2	Very high	33 Å²	33	83.1 Å²	83.1	13%	0.125	40%	0.404	C	S	.	.	H	α-helix	trans	-79.3	-34.6	177.5	-55.5	-172.8	-47.3	-87.3	-7.4	111.7	P563 D564 V565 Y566 L571 S572 E579 I582	P563-R568 HydrophobicContact CB-CG 3.76Å; P563-R568 HydrophobicContact CG-CG 3.59Å; P563-R568 PolarHBondContact O-NH1 3.42Å; D564-R568 VanDerWaalsContact C-NH1 3.29Å; D564-R568 WeakPolarHBondContact O-CG 3.41Å; D564-R568 PolarHBondContact O-N 3.27Å; V565-R568 PolarHBondContact O-N 3.5Å; Y566-R568 VanDerWaalsContact C-N 3.34Å; R568-L571 CarbonylContact O-C 3.44Å; R568-L571 PolarHBondContact O-N 2.84Å; R568-S572 WeakPolarHBondContact O-CB 3.31Å; R568-S572 PolarHBondContact O-N 3Å; R568-E579 VanDerWaalsContact C-OE2 3.24Å; R568-E579 WeakPolarHBondContact CB-OE2 3.19Å; R568-E579 IonicContact CZ-OE1 2.77Å; R568-E579 IonicContact NE-OE1 3.56Å; R568-E579 PolarHBondContact NE-OE1 3.49Å; R568-E579 IonicContact NE-OE2 3.47Å; R568-E579 IonicContact NH2-OE1 3.92Å; R568-E579 PolarHBondContact NH2-OE1 2.76Å; R568-I582 HydrophobicContact CB-CG2 4.15Å; R568-I582 HydrophobicContact CG-CG2 4.33Å
569	E	97.5	Very high	96.3	Very high	98 Å²	98	78.6 Å²	78.6	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-60	-45.4	168.1	-71.7	172.2	165.6	0	0	112.1	V565 L571 S572 M573	V565-E569 HydrophobicContact CG1-CG 4.35Å; V565-E569 WeakPolarHBondContact O-CG 3.5Å; V565-E569 PolarHBondContact O-N 3.09Å; E569-L571 VanDerWaalsContact C-N 3.3Å; E569-L571 PolarHBondContact O-N 3.08Å; E569-S572 VanDerWaalsContact O-CB 3.26Å; E569-S572 WeakPolarHBondContact O-CB 3.15Å; E569-S572 PolarHBondContact O-N 3.39Å; E569-S572 VanDerWaalsContact O-N 3.12Å; E569-M573 PolarHBondContact O-N 3.46Å; E569-M573 VanDerWaalsContact O-N 3.12Å
570	L	96.2	Very high	96.3	Very high	87 Å²	87	77.2 Å²	77.2	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-40	174.5	179.8	59.6	0	0	0	111.7	Y566 S572 M573 K574	Y566-L570 WeakPolarHBondContact O-CB 3.45Å; Y566-L570 PolarHBondContact O-N 2.81Å; L570-S572 VanDerWaalsContact C-N 3.34Å; L570-M573 HydrophobicContact CD1-CE 3.95Å; L570-K574 WeakPolarHBondContact O-CB 3.39Å; L570-K574 PolarHBondContact O-N 3.49Å; L570-K574 VanDerWaalsContact O-N 3.09Å
571	L	97	Very high	96.3	Very high	12 Å²	12	80.4 Å²	80.4	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-72.4	-26.7	175.3	-166.8	61.3	0	0	0	112.8	E552 L553 A556 Q567 R568 E569 K574 A575 I582 F586	E552-L571 HydrophobicContact CB-CD1 4.45Å; L553-L571 HydrophobicContact CD2-CD2 3.98Å; L553-L571 HydrophobicContact CD2-CG 4.42Å; A556-L571 HydrophobicContact CB-CD1 3.95Å; A556-L571 HydrophobicContact CB-CD2 3.5Å; A556-L571 VanDerWaalsContact CB-CD2 3.5Å; A556-L571 HydrophobicContact CB-CG 4.37Å; Q567-L571 WeakPolarHBondContact O-CB 3.39Å; Q567-L571 PolarHBondContact O-N 3.41Å; Q567-L571 VanDerWaalsContact O-N 3.13Å; R568-L571 CarbonylContact O-C 3.44Å; R568-L571 PolarHBondContact O-N 2.84Å; E569-L571 VanDerWaalsContact C-N 3.3Å; E569-L571 PolarHBondContact O-N 3.08Å; L571-K574 PolarHBondContact O-N 3.42Å; L571-A575 VanDerWaalsContact O-CB 3.31Å; L571-A575 WeakPolarHBondContact O-CB 3.35Å; L571-A575 PolarHBondContact O-N 3.38Å; L571-I582 VanDerWaalsContact C-CD1 3.48Å; L571-I582 HydrophobicContact CB-CD1 4.05Å; L571-I582 HydrophobicContact CD2-CD1 4.46Å; L571-I582 HydrophobicContact CD2-CG2 4.04Å; L571-I582 HydrophobicContact CG-CD1 4.02Å; L571-F586 HydrophobicContact CD2-CE2 3.71Å; L571-F586 HydrophobicContact CD2-CZ 4.13Å
572	S	97.1	Very high	96.3	Very high	29 Å²	29	77.6 Å²	77.6	20%	0.203	37%	0.373	C	S	.	.	H	α-helix	trans	-64.7	-46	175	-177.2	0	0	0	0	110.7	R568 E569 L570 E576 L577 E579 I582	R568-S572 WeakPolarHBondContact O-CB 3.31Å; R568-S572 PolarHBondContact O-N 3Å; E569-S572 VanDerWaalsContact O-CB 3.26Å; E569-S572 WeakPolarHBondContact O-CB 3.15Å; E569-S572 PolarHBondContact O-N 3.39Å; E569-S572 VanDerWaalsContact O-N 3.12Å; L570-S572 VanDerWaalsContact C-N 3.34Å; S572-E576 WeakPolarHBondContact O-CA 3.48Å; S572-E576 PolarHBondContact O-N 3.26Å; S572-E576 VanDerWaalsContact O-N 3.12Å; S572-L577 VanDerWaalsContact CA-O 3.26Å; S572-L577 WeakPolarHBondContact CA-O 3.45Å; S572-L577 VanDerWaalsContact CB-O 3.28Å; S572-L577 WeakPolarHBondContact CB-O 3.35Å; S572-L577 PolarHBondContact O-N 2.8Å; S572-L577 PolarHBondContact OG-O 3.42Å; S572-E579 PolarHBondContact OG-N 2.93Å; S572-I582 VanDerWaalsContact CA-CD1 3.44Å; S572-I582 VanDerWaalsContact N-CD1 3.34Å
573	M	96.3	Very high	96.3	Very high	141 Å²	141	73.7 Å²	73.7	70%	0.695	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-44.6	170.8	-64.1	-173.1	-68.7	0	0	111.7	E569 L570	E569-M573 PolarHBondContact O-N 3.46Å; E569-M573 VanDerWaalsContact O-N 3.12Å; L570-M573 HydrophobicContact CD1-CE 3.95Å
574	K	95.1	Very high	96.3	Very high	111 Å²	111	76.5 Å²	76.5	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-72.3	-32.3	-173	-164.3	-176.5	-179.9	-158.8	0	114.4	E552 L570 L571	E552-K574 VanDerWaalsContact CD-CE 3.4Å; E552-K574 WeakPolarHBondContact OE1-CE 3.37Å; E552-K574 IonicContact OE1-NZ 3.06Å; E552-K574 PolarHBondContact OE1-NZ 3.33Å; E552-K574 WeakPolarHBondContact OE2-CE 3.46Å; E552-K574 IonicContact OE2-NZ 3.38Å; E552-K574 PolarHBondContact OE2-NZ 2.84Å; L570-K574 WeakPolarHBondContact O-CB 3.39Å; L570-K574 PolarHBondContact O-N 3.49Å; L570-K574 VanDerWaalsContact O-N 3.09Å; L571-K574 PolarHBondContact O-N 3.42Å
575	A	94.7	Very high	96.3	Very high	7 Å²	7	72.8 Å²	72.8	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-102.1	0.4	-179.5	0	0	0	0	0	113.4	Q549 L571 L577	Q549-A575 HydrophobicContact CG-CB 4.47Å; Q549-A575 VanDerWaalsContact CG-O 3.24Å; Q549-A575 WeakPolarHBondContact CG-O 3.27Å; Q549-A575 PolarHBondContact NE2-O 3.41Å; L571-A575 VanDerWaalsContact O-CB 3.31Å; L571-A575 WeakPolarHBondContact O-CB 3.35Å; L571-A575 PolarHBondContact O-N 3.38Å; A575-L577 VanDerWaalsContact C-N 3.28Å; A575-L577 HydrophobicContact CB-CB 4.48Å; A575-L577 HydrophobicContact CB-CD1 3.98Å; A575-L577 HydrophobicContact CB-CG 4.32Å; A575-L577 WeakPolarHBondContact O-CG 3.46Å; A575-L577 PolarHBondContact O-N 3.3Å
576	E	96.4	Very high	96.5	Very high	172 Å²	172	69.6 Å²	69.6	80%	0.804	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	45.4	-176.4	-59.3	174.9	-175	0	0	111.9	S572	S572-E576 WeakPolarHBondContact O-CA 3.48Å; S572-E576 PolarHBondContact O-N 3.26Å; S572-E576 VanDerWaalsContact O-N 3.12Å
577	L	95.1	Very high	96.5	Very high	10 Å²	10	66.7 Å²	66.7	5%	0.052	33%	0.328	C	S	.	.			trans	-131	132.9	-175.8	-76.4	171.4	0	0	0	110.5	T543 F545 Q549 L553 S572 A575 E579 I582	T543-L577 HydrophobicContact CG2-CD2 4.43Å; F545-L577 HydrophobicContact CD1-CD1 3.66Å; F545-L577 HydrophobicContact CD1-CD2 3.82Å; F545-L577 HydrophobicContact CD1-CG 4.41Å; F545-L577 HydrophobicContact CE1-CD1 3.77Å; F545-L577 HydrophobicContact CE1-CD2 3.86Å; F545-L577 HydrophobicContact CE1-CG 4.47Å; Q549-L577 HydrophobicContact CB-CD1 4.12Å; Q549-L577 HydrophobicContact CG-CD1 4.06Å; Q549-L577 HydrophobicContact CG-CG 4.26Å; L553-L577 HydrophobicContact CD1-CD1 3.76Å; L553-L577 HydrophobicContact CD2-CD1 4.48Å; L553-L577 HydrophobicContact CG-CD1 4.37Å; S572-L577 VanDerWaalsContact CA-O 3.26Å; S572-L577 WeakPolarHBondContact CA-O 3.45Å; S572-L577 VanDerWaalsContact CB-O 3.28Å; S572-L577 WeakPolarHBondContact CB-O 3.35Å; S572-L577 PolarHBondContact O-N 2.8Å; S572-L577 PolarHBondContact OG-O 3.42Å; A575-L577 VanDerWaalsContact C-N 3.28Å; A575-L577 HydrophobicContact CB-CB 4.48Å; A575-L577 HydrophobicContact CB-CD1 3.98Å; A575-L577 HydrophobicContact CB-CG 4.32Å; A575-L577 WeakPolarHBondContact O-CG 3.46Å; A575-L577 PolarHBondContact O-N 3.3Å; L577-E579 PolarHBondContact O-N 2.69Å; L577-I582 HydrophobicContact CB-CD1 4.23Å; L577-I582 HydrophobicContact CB-CG1 4.05Å
578	P	96	Very high	96.5	Very high	83 Å²	83	66.8 Å²	66.8	54%	0.539	33%	0.331	S	S	.	.			trans	-59	139.5	175.2	-23	32.2	0	0	0	112.2	D580 R581 I582	P578-D580 VanDerWaalsContact C-N 3.27Å; P578-D580 PolarHBondContact O-N 3.27Å; P578-D580 VanDerWaalsContact O-N 3.14Å; P578-R581 HydrophobicContact CB-CG 4.22Å; P578-R581 HydrophobicContact CG-CG 4.33Å; P578-R581 WeakPolarHBondContact O-CA 3.48Å; P578-R581 VanDerWaalsContact O-CB 3.32Å; P578-R581 WeakPolarHBondContact O-CB 3.31Å; P578-R581 PolarHBondContact O-N 2.96Å; P578-I582 PolarHBondContact O-N 2.94Å
579	E	96.6	Very high	96.5	Very high	43 Å²	43	67.4 Å²	67.4	20%	0.201	33%	0.334	C	S	.	.	H	α-helix	trans	-43	-47.6	179.1	167.6	51.8	-159.7	0	0	113.6	R568 S572 L577 R581 I582 Q583	R568-E579 VanDerWaalsContact C-OE2 3.24Å; R568-E579 WeakPolarHBondContact CB-OE2 3.19Å; R568-E579 IonicContact CZ-OE1 2.77Å; R568-E579 IonicContact NE-OE1 3.56Å; R568-E579 PolarHBondContact NE-OE1 3.49Å; R568-E579 IonicContact NE-OE2 3.47Å; R568-E579 IonicContact NH2-OE1 3.92Å; R568-E579 PolarHBondContact NH2-OE1 2.76Å; S572-E579 PolarHBondContact OG-N 2.93Å; L577-E579 PolarHBondContact O-N 2.69Å; E579-R581 VanDerWaalsContact C-N 3.25Å; E579-R581 PolarHBondContact O-N 2.98Å; E579-I582 WeakPolarHBondContact O-CA 3.31Å; E579-I582 WeakPolarHBondContact O-CB 3.43Å; E579-I582 PolarHBondContact O-N 2.61Å; E579-Q583 PolarHBondContact O-N 3.49Å
580	D	95.6	Very high	96.5	Very high	112 Å²	112	64.5 Å²	64.5	60%	0.599	32%	0.319	S	S	*	.	H	α-helix	trans	-53.1	-38.6	174.9	-96.7	3.2	0	0	0	113.8	P578 V584	P578-D580 VanDerWaalsContact C-N 3.27Å; P578-D580 PolarHBondContact O-N 3.27Å; P578-D580 VanDerWaalsContact O-N 3.14Å; D580-V584 WeakPolarHBondContact O-CB 3.43Å; D580-V584 VanDerWaalsContact O-CG2 3.3Å; D580-V584 WeakPolarHBondContact O-CG2 3.49Å; D580-V584 PolarHBondContact O-N 3.47Å
581	R	95.9	Very high	96.4	Very high	95 Å²	95	62 Å²	62	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-73.2	-35.8	179.8	-54.5	-55.4	-178.5	145	-2.7	110.6	T543 P578 E579 W585	T543-R581 WeakPolarHBondContact OG1-CD 3.46Å; T543-R581 VanDerWaalsContact OG1-CZ 3.31Å; T543-R581 PolarHBondContact OG1-NE 3.47Å; T543-R581 PolarHBondContact OG1-NH1 3.48Å; P578-R581 HydrophobicContact CB-CG 4.22Å; P578-R581 HydrophobicContact CG-CG 4.33Å; P578-R581 WeakPolarHBondContact O-CA 3.48Å; P578-R581 VanDerWaalsContact O-CB 3.32Å; P578-R581 WeakPolarHBondContact O-CB 3.31Å; P578-R581 PolarHBondContact O-N 2.96Å; E579-R581 VanDerWaalsContact C-N 3.25Å; E579-R581 PolarHBondContact O-N 2.98Å; R581-W585 VanDerWaalsContact O-CB 3.25Å; R581-W585 WeakPolarHBondContact O-CB 3.45Å; R581-W585 PolarHBondContact O-N 3.05Å
582	I	97.1	Very high	96.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.5	-49.2	172.9	-60.4	-170.6	0	0	0	110	L553 R568 L571 S572 L577 P578 E579 V584 W585 F586	L553-I582 HydrophobicContact CD2-CD1 4.42Å; L553-I582 HydrophobicContact CD2-CG1 4.08Å; L553-I582 HydrophobicContact CD2-CG2 4.14Å; R568-I582 HydrophobicContact CB-CG2 4.15Å; R568-I582 HydrophobicContact CG-CG2 4.33Å; L571-I582 VanDerWaalsContact C-CD1 3.48Å; L571-I582 HydrophobicContact CB-CD1 4.05Å; L571-I582 HydrophobicContact CD2-CD1 4.46Å; L571-I582 HydrophobicContact CD2-CG2 4.04Å; L571-I582 HydrophobicContact CG-CD1 4.02Å; S572-I582 VanDerWaalsContact CA-CD1 3.44Å; S572-I582 VanDerWaalsContact N-CD1 3.34Å; L577-I582 HydrophobicContact CB-CD1 4.23Å; L577-I582 HydrophobicContact CB-CG1 4.05Å; P578-I582 PolarHBondContact O-N 2.94Å; E579-I582 WeakPolarHBondContact O-CA 3.31Å; E579-I582 WeakPolarHBondContact O-CB 3.43Å; E579-I582 PolarHBondContact O-N 2.61Å; I582-V584 VanDerWaalsContact C-N 3.32Å; I582-V584 PolarHBondContact O-N 3.37Å; I582-W585 PolarHBondContact O-N 3.03Å; I582-W585 VanDerWaalsContact O-N 3.11Å; I582-F586 HydrophobicContact CG2-CD2 3.66Å; I582-F586 HydrophobicContact CG2-CE2 3.81Å; I582-F586 WeakPolarHBondContact O-CD2 3.37Å; I582-F586 PolarHBondContact O-N 2.68Å
583	Q	96.8	Very high	95.9	Very high	74 Å²	74	69.2 Å²	69.2	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-53.5	-47.3	175.1	176.5	167.6	-89.4	0	0	112	E579 Q587	E579-Q583 PolarHBondContact O-N 3.49Å; Q583-Q587 VanDerWaalsContact O-CG 3.31Å; Q583-Q587 WeakPolarHBondContact O-CG 3.36Å; Q583-Q587 PolarHBondContact O-N 3.49Å
584	V	96.6	Very high	95.5	Very high	72 Å²	72	68 Å²	68	44%	0.436	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-37.9	177	170.6	0	0	0	0	112.2	D580 I582 Q587 N588	D580-V584 WeakPolarHBondContact O-CB 3.43Å; D580-V584 VanDerWaalsContact O-CG2 3.3Å; D580-V584 WeakPolarHBondContact O-CG2 3.49Å; D580-V584 PolarHBondContact O-N 3.47Å; I582-V584 VanDerWaalsContact C-N 3.32Å; I582-V584 PolarHBondContact O-N 3.37Å; V584-Q587 PolarHBondContact O-N 2.74Å; V584-N588 WeakPolarHBondContact CG1-ND2 3.25Å; V584-N588 PolarHBondContact O-N 3.02Å; V584-N588 VanDerWaalsContact O-N 3.08Å; V584-N588 PolarHBondContact O-ND2 3.04Å
585	W	97.7	Very high	94.9	Very high	28 Å²	28	70.4 Å²	70.4	11%	0.106	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-48.3	174.8	-175.9	102.8	0	0	0	110.7	F545 L553 E554 F557 R581 I582 Q587 N588 R589	F545-W585 AromaticContact CE2-CD1 3.74Å; F545-W585 HydrophobicContact CZ-CB 4.26Å; F545-W585 AromaticContact CZ-CD1 3.91Å; F545-W585 HydrophobicContact CZ-CG 4.47Å; L553-W585 VanDerWaalsContact C-CH2 3.45Å; L553-W585 HydrophobicContact CB-CD2 3.96Å; L553-W585 HydrophobicContact CB-CE3 4Å; L553-W585 HydrophobicContact CB-CH2 3.74Å; L553-W585 HydrophobicContact CB-CZ2 3.65Å; L553-W585 HydrophobicContact CB-CZ3 3.91Å; L553-W585 HydrophobicContact CD1-CD2 4.02Å; L553-W585 HydrophobicContact CD1-CG 3.95Å; L553-W585 HydrophobicContact CD2-CD2 4.28Å; L553-W585 HydrophobicContact CD2-CE3 4.21Å; L553-W585 HydrophobicContact CG-CD2 4.33Å; L553-W585 VanDerWaalsContact O-CH2 3.32Å; L553-W585 WeakPolarHBondContact O-CH2 3.42Å; L553-W585 WeakPolarHBondContact O-CZ3 3.3Å; E554-W585 WeakPolarHBondContact OE2-CH2 3.42Å; E554-W585 WeakPolarHBondContact OE2-CZ2 3.23Å; F557-W585 HydrophobicContact CB-CH2 3.97Å; F557-W585 HydrophobicContact CB-CZ3 3.97Å; F557-W585 HydrophobicContact CD2-CZ3 4.16Å; F557-W585 HydrophobicContact CG-CH2 4.38Å; F557-W585 HydrophobicContact CG-CZ3 4.32Å; R581-W585 VanDerWaalsContact O-CB 3.25Å; R581-W585 WeakPolarHBondContact O-CB 3.45Å; R581-W585 PolarHBondContact O-N 3.05Å; I582-W585 PolarHBondContact O-N 3.03Å; I582-W585 VanDerWaalsContact O-N 3.11Å; W585-Q587 PolarHBondContact O-N 3.39Å; W585-N588 CarbonylContact O-C 3.49Å; W585-N588 PolarHBondContact O-N 3.05Å; W585-N588 VanDerWaalsContact O-N 3.09Å; W585-R589 HydrophobicContact CD2-CB 4.32Å; W585-R589 HydrophobicContact CE3-CB 3.93Å; W585-R589 HydrophobicContact CE3-CG 4.49Å; W585-R589 HydrophobicContact CH2-CB 3.81Å; W585-R589 HydrophobicContact CH2-CG 3.49Å; W585-R589 VanDerWaalsContact CH2-CG 3.49Å; W585-R589 HydrophobicContact CZ2-CB 4.23Å; W585-R589 HydrophobicContact CZ2-CG 4.07Å; W585-R589 HydrophobicContact CZ3-CB 3.66Å; W585-R589 HydrophobicContact CZ3-CG 3.75Å; W585-R589 WeakPolarHBondContact O-CB 3.36Å; W585-R589 PolarHBondContact O-N 3.32Å
586	F	98.1	Very high	94	Very high	1 Å²	1	74.2 Å²	74.2	0%	0.004	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-38.8	178.4	-93.2	-92.8	0	0	0	112.6	L553 A556 F557 A560 P563 L571 I582 N588 R589 R590	L553-F586 HydrophobicContact CD2-CE2 4.25Å; A556-F586 HydrophobicContact CB-CZ 4.06Å; F557-F586 HydrophobicContact CB-CE1 4.11Å; F557-F586 HydrophobicContact CB-CZ 4.37Å; F557-F586 AromaticContact CD2-CD1 3.79Å; F557-F586 HydrophobicContact CD2-CD1 3.79Å; F557-F586 AromaticContact CD2-CE1 3.74Å; F557-F586 HydrophobicContact CD2-CE1 3.74Å; F557-F586 HydrophobicContact CE2-CD1 4.44Å; F557-F586 HydrophobicContact CG-CE1 4.42Å; A560-F586 WeakPolarHBondContact O-CE1 3.47Å; P563-F586 VanDerWaalsContact CD-CD1 3.42Å; P563-F586 HydrophobicContact CG-CD1 3.63Å; P563-F586 HydrophobicContact CG-CD2 4.26Å; P563-F586 HydrophobicContact CG-CE1 3.5Å; P563-F586 HydrophobicContact CG-CE2 4.18Å; P563-F586 HydrophobicContact CG-CG 4.02Å; P563-F586 HydrophobicContact CG-CZ 3.81Å; L571-F586 HydrophobicContact CD2-CE2 3.71Å; L571-F586 HydrophobicContact CD2-CZ 4.13Å; I582-F586 HydrophobicContact CG2-CD2 3.66Å; I582-F586 HydrophobicContact CG2-CE2 3.81Å; I582-F586 WeakPolarHBondContact O-CD2 3.37Å; I582-F586 PolarHBondContact O-N 2.68Å; F586-N588 PolarHBondContact O-N 3.09Å; F586-R589 PolarHBondContact O-N 3.16Å; F586-R590 WeakPolarHBondContact O-CB 3.41Å; F586-R590 WeakPolarHBondContact O-CG 3.27Å; F586-R590 PolarHBondContact O-N 2.88Å
587	Q	96.9	Very high	92.5	Very high	97 Å²	97	71.9 Å²	71.9	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-45.5	172.1	-73.4	176.8	29.2	0	0	111.9	Q583 V584 W585 A591	Q583-Q587 VanDerWaalsContact O-CG 3.31Å; Q583-Q587 WeakPolarHBondContact O-CG 3.36Å; Q583-Q587 PolarHBondContact O-N 3.49Å; V584-Q587 PolarHBondContact O-N 2.74Å; W585-Q587 PolarHBondContact O-N 3.39Å; Q587-A591 WeakPolarHBondContact O-CB 3.38Å; Q587-A591 PolarHBondContact O-N 2.94Å
588	N	97.3	Very high	90.5	Very high	97 Å²	97	76.2 Å²	76.2	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-68.8	-38.7	177.6	-76.5	-64.9	0	0	0	112.5	V584 W585 F586 A591 K592	V584-N588 WeakPolarHBondContact CG1-ND2 3.25Å; V584-N588 PolarHBondContact O-N 3.02Å; V584-N588 VanDerWaalsContact O-N 3.08Å; V584-N588 PolarHBondContact O-ND2 3.04Å; W585-N588 CarbonylContact O-C 3.49Å; W585-N588 PolarHBondContact O-N 3.05Å; W585-N588 VanDerWaalsContact O-N 3.09Å; F586-N588 PolarHBondContact O-N 3.09Å; N588-A591 CarbonylContact O-C 3.49Å; N588-A591 WeakPolarHBondContact O-CA 3.17Å; N588-A591 WeakPolarHBondContact O-CB 3.27Å; N588-A591 PolarHBondContact O-N 3.33Å; N588-A591 VanDerWaalsContact O-N 3.13Å; N588-K592 PolarHBondContact O-N 3.15Å
589	R	97.3	Very high	88.4	Confident	46 Å²	46	81.1 Å²	81.1	17%	0.174	38%	0.378	C	S	.	.	H	α-helix	trans	-68.3	-41.3	178.2	-173	66.8	-169.8	75.4	-1.1	111.7	E554 F557 W585 F586 A591 K592 W593	E554-R589 IonicContact OE1-CZ 3.95Å; E554-R589 IonicContact OE1-NE 2.7Å; E554-R589 PolarHBondContact OE1-NE 2.88Å; E554-R589 IonicContact OE1-NH2 2.65Å; E554-R589 PolarHBondContact OE1-NH2 3.36Å; E554-R589 VanDerWaalsContact OE2-CD 3.27Å; E554-R589 WeakPolarHBondContact OE2-CD 3.45Å; E554-R589 IonicContact OE2-CZ 2.72Å; E554-R589 IonicContact OE2-NE 3.9Å; E554-R589 PolarHBondContact OE2-NE 3.38Å; F557-R589 HydrophobicContact CB-CG 4.39Å; F557-R589 HydrophobicContact CD1-CG 3.69Å; F557-R589 HydrophobicContact CD2-CB 3.96Å; F557-R589 HydrophobicContact CD2-CG 3.42Å; F557-R589 VanDerWaalsContact CD2-CG 3.42Å; F557-R589 HydrophobicContact CE1-CG 3.75Å; F557-R589 HydrophobicContact CE2-CB 3.88Å; F557-R589 HydrophobicContact CE2-CG 3.49Å; F557-R589 VanDerWaalsContact CE2-CG 3.49Å; F557-R589 HydrophobicContact CG-CG 3.54Å; F557-R589 HydrophobicContact CZ-CB 4.38Å; F557-R589 HydrophobicContact CZ-CG 3.66Å; W585-R589 HydrophobicContact CD2-CB 4.32Å; W585-R589 HydrophobicContact CE3-CB 3.93Å; W585-R589 HydrophobicContact CE3-CG 4.49Å; W585-R589 HydrophobicContact CH2-CB 3.81Å; W585-R589 HydrophobicContact CH2-CG 3.49Å; W585-R589 VanDerWaalsContact CH2-CG 3.49Å; W585-R589 HydrophobicContact CZ2-CB 4.23Å; W585-R589 HydrophobicContact CZ2-CG 4.07Å; W585-R589 HydrophobicContact CZ3-CB 3.66Å; W585-R589 HydrophobicContact CZ3-CG 3.75Å; W585-R589 WeakPolarHBondContact O-CB 3.36Å; W585-R589 PolarHBondContact O-N 3.32Å; F586-R589 PolarHBondContact O-N 3.16Å; R589-A591 VanDerWaalsContact C-N 3.28Å; R589-A591 PolarHBondContact O-N 3.02Å; R589-K592 PolarHBondContact O-N 2.94Å; R589-W593 VanDerWaalsContact O-CB 3.31Å; R589-W593 WeakPolarHBondContact O-CB 3.47Å; R589-W593 PolarHBondContact O-N 3.04Å
590	R	96.7	Very high	86.3	Confident	38 Å²	38	84.6 Å²	84.6	14%	0.143	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-34.9	167.3	-73.6	-167.5	-71.2	-87.9	4.1	112.2	F557 H561 F586 R594	F557-R590 HydrophobicContact CE2-CG 3.79Å; F557-R590 HydrophobicContact CZ-CG 4.31Å; H561-R590 VanDerWaalsContact O-CD 3.25Å; H561-R590 WeakPolarHBondContact O-CD 3.3Å; H561-R590 WeakPolarHBondContact O-CG 3.35Å; H561-R590 PolarHBondContact O-NH1 3.33Å; F586-R590 WeakPolarHBondContact O-CB 3.41Å; F586-R590 WeakPolarHBondContact O-CG 3.27Å; F586-R590 PolarHBondContact O-N 2.88Å; R590-R594 WeakPolarHBondContact O-CB 3.25Å; R590-R594 PolarHBondContact O-N 3.13Å; R590-R594 PolarHBondContact O-NE 2.8Å; R590-R594 PolarHBondContact O-NH2 3.48Å
591	A	94.1	Very high	83.9	Confident	35 Å²	35	82.6 Å²	82.6	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-74.6	-29	177.7	0	0	0	0	0	113.6	Q587 N588 R589 K595	Q587-A591 WeakPolarHBondContact O-CB 3.38Å; Q587-A591 PolarHBondContact O-N 2.94Å; N588-A591 CarbonylContact O-C 3.49Å; N588-A591 WeakPolarHBondContact O-CA 3.17Å; N588-A591 WeakPolarHBondContact O-CB 3.27Å; N588-A591 PolarHBondContact O-N 3.33Å; N588-A591 VanDerWaalsContact O-N 3.13Å; R589-A591 VanDerWaalsContact C-N 3.28Å; R589-A591 PolarHBondContact O-N 3.02Å; A591-K595 WeakPolarHBondContact O-CG 3.4Å
592	K	92.8	Very high	81.8	Confident	143 Å²	143	87.8 Å²	87.8	62%	0.622	42%	0.42	S	S	*	.	H	α-helix	trans	-70.2	-49.7	166.1	-72.9	-176.2	177.3	-177.6	0	111	N588 R589 R594 K595 T596	N588-K592 PolarHBondContact O-N 3.15Å; R589-K592 PolarHBondContact O-N 2.94Å; K592-R594 PolarHBondContact O-N 2.88Å; K592-K595 CarbonylContact O-C 3.57Å; K592-K595 WeakPolarHBondContact O-CA 3.39Å; K592-K595 WeakPolarHBondContact O-CB 3.34Å; K592-K595 PolarHBondContact O-N 3.2Å; K592-T596 PolarHBondContact O-N 3.24Å; K592-T596 PolarHBondContact O-OG1 3.25Å
593	W	91.6	Very high	79.8	Confident	49 Å²	49	92 Å²	92	19%	0.186	45%	0.45	C	S	.	.	H	α-helix	trans	-51.9	-51.4	179.4	175.6	62.3	0	0	0	112.5	F557 H561 R589 K595 T596 E597	F557-W593 HydrophobicContact CE1-CB 4.2Å; F557-W593 HydrophobicContact CE1-CG 4.23Å; F557-W593 HydrophobicContact CZ-CB 3.85Å; F557-W593 HydrophobicContact CZ-CD2 4.43Å; F557-W593 HydrophobicContact CZ-CG 4.03Å; H561-W593 AromaticContact CE1-CE2 3.59Å; H561-W593 AromaticContact CE1-CZ2 3.67Å; H561-W593 AromaticContact CE1-NE1 3.7Å; H561-W593 AromaticContact ND1-CE2 3.94Å; H561-W593 AromaticContact ND1-CZ2 3.72Å; H561-W593 AromaticContact NE2-NE1 3.92Å; R589-W593 VanDerWaalsContact O-CB 3.31Å; R589-W593 WeakPolarHBondContact O-CB 3.47Å; R589-W593 PolarHBondContact O-N 3.04Å; W593-K595 PolarHBondContact O-N 3.01Å; W593-T596 WeakPolarHBondContact CA-OG1 3.41Å; W593-T596 PolarHBondContact O-N 3.21Å; W593-T596 PolarHBondContact O-OG1 2.83Å; W593-T596 VanDerWaalsContact O-OG1 3.05Å; W593-E597 VanDerWaalsContact CE2-CD 3.4Å; W593-E597 VanDerWaalsContact CE2-OE1 3.28Å; W593-E597 VanDerWaalsContact CE2-OE2 3.3Å; W593-E597 WeakPolarHBondContact CZ2-OE1 3.45Å; W593-E597 VanDerWaalsContact CZ2-OE2 3.31Å; W593-E597 WeakPolarHBondContact CZ2-OE2 3.49Å; W593-E597 PolarHBondContact NE1-OE1 3.24Å; W593-E597 PolarHBondContact NE1-OE2 3.35Å; W593-E597 PolarHBondContact O-N 3.39Å
594	R	88.1	Confident	78.1	Confident	115 Å²	115	90.8 Å²	90.8	43%	0.434	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-7.7	174.8	-76.7	179.4	-84.2	102.2	-3.1	115.5	R590 K592 K598	R590-R594 WeakPolarHBondContact O-CB 3.25Å; R590-R594 PolarHBondContact O-N 3.13Å; R590-R594 PolarHBondContact O-NE 2.8Å; R590-R594 PolarHBondContact O-NH2 3.48Å; K592-R594 PolarHBondContact O-N 2.88Å; R594-K598 WeakPolarHBondContact O-CG 3.49Å
595	K	81.6	Confident	76.2	Confident	161 Å²	161	90.4 Å²	90.4	70%	0.7	44%	0.444	S	S	*	.	H	α-helix	trans	-100	-33.1	168.9	-67.9	175.2	178.1	-174.6	0	112.3	A591 K592 W593 K598	A591-K595 WeakPolarHBondContact O-CG 3.4Å; K592-K595 CarbonylContact O-C 3.57Å; K592-K595 WeakPolarHBondContact O-CA 3.39Å; K592-K595 WeakPolarHBondContact O-CB 3.34Å; K592-K595 PolarHBondContact O-N 3.2Å; W593-K595 PolarHBondContact O-N 3.01Å; K595-K598 CarbonylContact O-C 3.43Å
596	T	76.8	Confident	74.3	Confident	87 Å²	87	95.7 Å²	95.7	53%	0.534	47%	0.472	S	S	.	.	H	α-helix	trans	-80.5	-36.7	-176.7	49.9	0	0	0	0	113.2	K592 W593 K598 K599	K592-T596 PolarHBondContact O-N 3.24Å; K592-T596 PolarHBondContact O-OG1 3.25Å; W593-T596 WeakPolarHBondContact CA-OG1 3.41Å; W593-T596 PolarHBondContact O-N 3.21Å; W593-T596 PolarHBondContact O-OG1 2.83Å; W593-T596 VanDerWaalsContact O-OG1 3.05Å; T596-K598 VanDerWaalsContact C-N 3.26Å; T596-K599 PolarHBondContact O-N 3.36Å
597	E	63.4	Low	72.6	Confident	123 Å²	123	98.2 Å²	98.2	58%	0.575	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-35.2	168.4	-65.7	-175	149.2	0	0	110.6	W593 K599	W593-E597 VanDerWaalsContact CE2-CD 3.4Å; W593-E597 VanDerWaalsContact CE2-OE1 3.28Å; W593-E597 VanDerWaalsContact CE2-OE2 3.3Å; W593-E597 WeakPolarHBondContact CZ2-OE1 3.45Å; W593-E597 VanDerWaalsContact CZ2-OE2 3.31Å; W593-E597 WeakPolarHBondContact CZ2-OE2 3.49Å; W593-E597 PolarHBondContact NE1-OE1 3.24Å; W593-E597 PolarHBondContact NE1-OE2 3.35Å; W593-E597 PolarHBondContact O-N 3.39Å; E597-K599 PolarHBondContact O-N 3.16Å
598	K	53.6	Low	70.7	Confident	101 Å²	101	96.5 Å²	96.5	44%	0.439	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	52.5	168.6	-61.2	-169.1	178.1	-170.2	0	112	R594 K595 T596 W600	R594-K598 WeakPolarHBondContact O-CG 3.49Å; K595-K598 CarbonylContact O-C 3.43Å; T596-K598 VanDerWaalsContact C-N 3.26Å; K598-W600 HydrophobicContact CB-CG 4.32Å; K598-W600 HydrophobicContact CD-CZ2 4.04Å; K598-W600 PolarHBondContact O-N 2.95Å
599	K	51.9	Low	68.8	Low	187 Å²	187	96.2 Å²	96.2	81%	0.813	48%	0.477	S	S	*	.			trans	-63.3	65.6	142.8	-78	-176.4	-178.5	-179.8	0	108.5	T596 E597 G601	T596-K599 PolarHBondContact O-N 3.36Å; E597-K599 PolarHBondContact O-N 3.16Å; K599-G601 PolarHBondContact O-N 2.86Å
600	W	51.8	Low	67.7	Low	115 Å²	115	96.1 Å²	96.1	44%	0.436	49%	0.491	S	S	.	.			trans	-58.2	110	163.4	-75.3	-7.7	0	0	0	106	K598 K602 S604 I605 M606	K598-W600 HydrophobicContact CB-CG 4.32Å; K598-W600 HydrophobicContact CD-CZ2 4.04Å; K598-W600 PolarHBondContact O-N 2.95Å; W600-K602 CarbonylContact C-O 3.58Å; W600-K602 PolarHBondContact O-N 2.92Å; W600-S604 VanDerWaalsContact CE3-OG 3.3Å; W600-S604 WeakPolarHBondContact CZ3-OG 3.48Å; W600-I605 HydrophobicContact CE3-CB 4.45Å; W600-I605 HydrophobicContact CE3-CG2 4.24Å; W600-I605 HydrophobicContact CH2-CG2 3.93Å; W600-I605 HydrophobicContact CZ2-CG2 4.42Å; W600-I605 HydrophobicContact CZ3-CB 4.5Å; W600-I605 HydrophobicContact CZ3-CG2 3.85Å; W600-M606 HydrophobicContact CZ3-CB 4.12Å
601	G	47	Very low	66.5	Low	70 Å²	70	99.3 Å²	99.3	72%	0.722	51%	0.51	S	S	*	.	S	Bend	trans	-76.9	114.5	-165.6	0	0	0	0	0	110.6	K599	K599-G601 PolarHBondContact O-N 2.86Å
602	K	51.4	Low	65.1	Low	205 Å²	205	99.3 Å²	99.3	89%	0.891	50%	0.503	S	S	*	.	S	Bend	trans	70.3	163	-161.1	-51.7	148.3	-174.6	171.9	0	110.8	W600 S604	W600-K602 CarbonylContact C-O 3.58Å; W600-K602 PolarHBondContact O-N 2.92Å; K602-S604 PolarHBondContact O-N 3.29Å
603	S	54.9	Low	64.2	Low	89 Å²	89	94 Å²	94	62%	0.622	49%	0.489	S	S	*	.	S	Bend	trans	-28.6	117.9	-170.5	-61.6	0	0	0	0	114.2	I605	S603-I605 PolarHBondContact O-N 3Å
604	S	61.5	Low	63.4	Low	48 Å²	48	93.6 Å²	93.6	34%	0.336	50%	0.496	S	S	.	.			trans	-31.2	127	178.2	163.1	0	0	0	0	111.6	W600 K602 M606 A607 E608	W600-S604 VanDerWaalsContact CE3-OG 3.3Å; W600-S604 WeakPolarHBondContact CZ3-OG 3.48Å; K602-S604 PolarHBondContact O-N 3.29Å; S604-M606 PolarHBondContact O-N 2.87Å; S604-A607 CarbonylContact O-C 3.39Å; S604-A607 VanDerWaalsContact O-CA 3.27Å; S604-A607 WeakPolarHBondContact O-CA 3.39Å; S604-A607 VanDerWaalsContact O-CB 3.31Å; S604-A607 WeakPolarHBondContact O-CB 3.31Å; S604-A607 PolarHBondContact O-N 3.01Å; S604-E608 PolarHBondContact O-N 2.7Å
605	I	56.6	Low	62.8	Low	63 Å²	63	89.3 Å²	89.3	32%	0.323	48%	0.481	S	S	.	.	H	α-helix	trans	-57.7	-31.2	-171.4	-138.6	168.4	0	0	0	111.6	W600 S603 E608 Y609	W600-I605 HydrophobicContact CE3-CB 4.45Å; W600-I605 HydrophobicContact CE3-CG2 4.24Å; W600-I605 HydrophobicContact CH2-CG2 3.93Å; W600-I605 HydrophobicContact CZ2-CG2 4.42Å; W600-I605 HydrophobicContact CZ3-CB 4.5Å; W600-I605 HydrophobicContact CZ3-CG2 3.85Å; S603-I605 PolarHBondContact O-N 3Å; I605-E608 PolarHBondContact O-N 3.13Å; I605-Y609 HydrophobicContact CB-CE2 4.49Å; I605-Y609 HydrophobicContact CG1-CE1 4.23Å; I605-Y609 HydrophobicContact CG1-CE2 4.32Å; I605-Y609 HydrophobicContact CG2-CE2 3.85Å; I605-Y609 WeakPolarHBondContact O-CB 3.19Å; I605-Y609 WeakPolarHBondContact O-CD1 3.42Å; I605-Y609 WeakPolarHBondContact O-CD2 3.41Å; I605-Y609 PolarHBondContact O-N 2.89Å
606	M	58.2	Low	62.4	Low	140 Å²	140	85.3 Å²	85.3	69%	0.69	47%	0.47	S	S	*	.	H	α-helix	trans	-70.8	-29.4	172.6	-160.8	102.8	171.8	0	0	114	W600 S604 G610	W600-M606 HydrophobicContact CZ3-CB 4.12Å; S604-M606 PolarHBondContact O-N 2.87Å; M606-G610 PolarHBondContact O-N 2.88Å
607	A	60.8	Low	62.2	Low	54 Å²	54	91.2 Å²	91.2	45%	0.446	48%	0.482	S	S	.	.	H	α-helix	trans	-80	-33.7	172.6	0	0	0	0	0	112.1	S604 G610 L611	S604-A607 CarbonylContact O-C 3.39Å; S604-A607 VanDerWaalsContact O-CA 3.27Å; S604-A607 WeakPolarHBondContact O-CA 3.39Å; S604-A607 VanDerWaalsContact O-CB 3.31Å; S604-A607 WeakPolarHBondContact O-CB 3.31Å; S604-A607 PolarHBondContact O-N 3.01Å; A607-G610 PolarHBondContact O-N 3.44Å; A607-L611 WeakPolarHBondContact O-CB 3.27Å; A607-L611 PolarHBondContact O-N 2.96Å
608	E	56.5	Low	62.7	Low	61 Å²	61	91.6 Å²	91.6	29%	0.285	48%	0.484	S	S	.	.	H	α-helix	trans	-60.9	-50.9	164.3	-101.4	-159.9	122.9	0	0	110.4	S604 I605 G610 L611 Y612	S604-E608 PolarHBondContact O-N 2.7Å; I605-E608 PolarHBondContact O-N 3.13Å; E608-G610 PolarHBondContact O-N 3.45Å; E608-L611 PolarHBondContact O-N 3.27Å; E608-Y612 HydrophobicContact CB-CD2 4.15Å; E608-Y612 HydrophobicContact CB-CE2 3.79Å; E608-Y612 HydrophobicContact CG-CE2 3.77Å; E608-Y612 WeakPolarHBondContact O-CD2 3.5Å; E608-Y612 PolarHBondContact O-N 3.46Å; E608-Y612 VanDerWaalsContact OE1-CE2 3.22Å; E608-Y612 WeakPolarHBondContact OE1-CE2 3.42Å; E608-Y612 VanDerWaalsContact OE1-CZ 3.31Å; E608-Y612 PolarHBondContact OE1-OH 2.93Å
609	Y	57.4	Low	63.6	Low	90 Å²	90	92.3 Å²	92.3	35%	0.353	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-33.8	175.1	-58	-25.9	0	0	0	112.8	I605 G613	I605-Y609 HydrophobicContact CB-CE2 4.49Å; I605-Y609 HydrophobicContact CG1-CE1 4.23Å; I605-Y609 HydrophobicContact CG1-CE2 4.32Å; I605-Y609 HydrophobicContact CG2-CE2 3.85Å; I605-Y609 WeakPolarHBondContact O-CB 3.19Å; I605-Y609 WeakPolarHBondContact O-CD1 3.42Å; I605-Y609 WeakPolarHBondContact O-CD2 3.41Å; I605-Y609 PolarHBondContact O-N 2.89Å; Y609-G613 WeakPolarHBondContact O-CA 3.22Å; Y609-G613 PolarHBondContact O-N 3.05Å
610	G	75.2	Confident	64.7	Low	45 Å²	45	88 Å²	88	46%	0.464	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-43.5	172.2	0	0	0	0	0	113	M606 A607 E608 G613 A614	M606-G610 PolarHBondContact O-N 2.88Å; A607-G610 PolarHBondContact O-N 3.44Å; E608-G610 PolarHBondContact O-N 3.45Å; G610-G613 PolarHBondContact O-N 2.97Å; G610-A614 PolarHBondContact O-N 3.47Å
611	L	71	Confident	65.5	Low	105 Å²	105	87.9 Å²	87.9	55%	0.55	50%	0.501	S	S	.	.	H	α-helix	trans	-67.6	-48	177.3	-176.7	62.8	0	0	0	111.4	A607 E608 G613 A614 M615	A607-L611 WeakPolarHBondContact O-CB 3.27Å; A607-L611 PolarHBondContact O-N 2.96Å; E608-L611 PolarHBondContact O-N 3.27Å; L611-G613 VanDerWaalsContact C-N 3.33Å; L611-G613 PolarHBondContact O-N 2.93Å; L611-A614 WeakPolarHBondContact O-CB 3.19Å; L611-A614 PolarHBondContact O-N 3.25Å; L611-A614 VanDerWaalsContact O-N 3.13Å; L611-M615 WeakPolarHBondContact O-CG 3.36Å; L611-M615 PolarHBondContact O-N 3.06Å
612	Y	64.4	Low	66.3	Low	34 Å²	34	86.1 Å²	86.1	13%	0.133	48%	0.475	C	S	.	.	H	α-helix	trans	-64.9	-36.5	174.9	-62.5	-51.5	0	0	0	112	E608 A614 M615 V616 L622 P623 I626	E608-Y612 HydrophobicContact CB-CD2 4.15Å; E608-Y612 HydrophobicContact CB-CE2 3.79Å; E608-Y612 HydrophobicContact CG-CE2 3.77Å; E608-Y612 WeakPolarHBondContact O-CD2 3.5Å; E608-Y612 PolarHBondContact O-N 3.46Å; E608-Y612 VanDerWaalsContact OE1-CE2 3.22Å; E608-Y612 WeakPolarHBondContact OE1-CE2 3.42Å; E608-Y612 VanDerWaalsContact OE1-CZ 3.31Å; E608-Y612 PolarHBondContact OE1-OH 2.93Å; Y612-A614 VanDerWaalsContact C-N 3.29Å; Y612-A614 PolarHBondContact O-N 3.3Å; Y612-M615 HydrophobicContact CD1-SD 3.92Å; Y612-M615 HydrophobicContact CE1-SD 4.26Å; Y612-M615 PolarHBondContact O-N 2.86Å; Y612-V616 WeakPolarHBondContact O-CB 3.44Å; Y612-V616 WeakPolarHBondContact O-CG2 3.35Å; Y612-V616 PolarHBondContact O-N 3.39Å; Y612-L622 HydrophobicContact CD1-CD2 4.47Å; Y612-P623 HydrophobicContact CE1-CG 4.04Å; Y612-I626 HydrophobicContact CD1-CD1 4.13Å; Y612-I626 HydrophobicContact CE1-CD1 3.6Å; Y612-I626 HydrophobicContact CE2-CD1 4.01Å
613	G	75	Confident	67.1	Low	33 Å²	33	78.6 Å²	78.6	34%	0.34	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-36.4	171.4	0	0	0	0	0	112.8	Y609 G610 L611 R617	Y609-G613 WeakPolarHBondContact O-CA 3.22Å; Y609-G613 PolarHBondContact O-N 3.05Å; G610-G613 PolarHBondContact O-N 2.97Å; L611-G613 VanDerWaalsContact C-N 3.33Å; L611-G613 PolarHBondContact O-N 2.93Å; G613-R617 WeakPolarHBondContact O-CB 3.45Å; G613-R617 WeakPolarHBondContact O-CG 3.09Å; G613-R617 PolarHBondContact O-N 3.38Å
614	A	74	Confident	67.7	Low	40 Å²	40	83 Å²	83	33%	0.331	46%	0.455	S	S	.	.	H	α-helix	trans	-70.4	-46.6	170.4	0	0	0	0	0	111.7	G610 L611 Y612 V616 R617 H618	G610-A614 PolarHBondContact O-N 3.47Å; L611-A614 WeakPolarHBondContact O-CB 3.19Å; L611-A614 PolarHBondContact O-N 3.25Å; L611-A614 VanDerWaalsContact O-N 3.13Å; Y612-A614 VanDerWaalsContact C-N 3.29Å; Y612-A614 PolarHBondContact O-N 3.3Å; A614-V616 PolarHBondContact O-N 3.41Å; A614-R617 PolarHBondContact O-N 2.71Å; A614-H618 WeakPolarHBondContact O-CB 3.07Å; A614-H618 PolarHBondContact O-CD2 2.61Å; A614-H618 PolarHBondContact O-N 3.05Å
615	M	75.5	Confident	67.8	Low	25 Å²	25	85.6 Å²	85.6	12%	0.123	47%	0.469	C	S	.	.	H	α-helix	trans	-57.7	-47.4	179.5	-70.2	179.4	70.2	0	0	112.5	L611 Y612 R617 H618 S619 L620 P621 P623	L611-M615 WeakPolarHBondContact O-CG 3.36Å; L611-M615 PolarHBondContact O-N 3.06Å; Y612-M615 HydrophobicContact CD1-SD 3.92Å; Y612-M615 HydrophobicContact CE1-SD 4.26Å; Y612-M615 PolarHBondContact O-N 2.86Å; M615-R617 VanDerWaalsContact C-N 3.35Å; M615-R617 PolarHBondContact O-N 3.25Å; M615-H618 CarbonylContact O-C 3.48Å; M615-H618 PolarHBondContact O-N 3.37Å; M615-S619 PolarHBondContact O-N 2.8Å; M615-L620 HydrophobicContact CB-CB 4.04Å; M615-L620 HydrophobicContact CE-CB 4.2Å; M615-L620 HydrophobicContact CG-CB 4.13Å; M615-L620 HydrophobicContact CG-CD1 4.23Å; M615-L620 PolarHBondContact O-N 2.91Å; M615-P621 WeakPolarHBondContact CE-O 3.49Å; M615-P623 HydrophobicContact CE-CG 4.5Å
616	V	73.4	Confident	68.1	Low	76 Å²	76	84.2 Å²	84.2	46%	0.461	46%	0.462	S	S	.	.	H	α-helix	trans	-64.8	-37.5	177.9	172.5	0	0	0	0	111.5	Y612 A614 H618	Y612-V616 WeakPolarHBondContact O-CB 3.44Å; Y612-V616 WeakPolarHBondContact O-CG2 3.35Å; Y612-V616 PolarHBondContact O-N 3.39Å; A614-V616 PolarHBondContact O-N 3.41Å; V616-H618 VanDerWaalsContact C-N 3.28Å; V616-H618 PolarHBondContact O-N 3.1Å
617	R	72.4	Confident	68.4	Low	211 Å²	211	81.6 Å²	81.6	80%	0.796	45%	0.45	S	S	*	.	H	α-helix	trans	-74.9	-14	176.5	-73.3	-179	67.6	-174.4	0.6	114.5	G613 A614 M615	G613-R617 WeakPolarHBondContact O-CB 3.45Å; G613-R617 WeakPolarHBondContact O-CG 3.09Å; G613-R617 PolarHBondContact O-N 3.38Å; A614-R617 PolarHBondContact O-N 2.71Å; M615-R617 VanDerWaalsContact C-N 3.35Å; M615-R617 PolarHBondContact O-N 3.25Å
618	H	74.2	Confident	68.4	Low	131 Å²	131	85.2 Å²	85.2	61%	0.606	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	16	179.7	-65.2	-59.5	0	0	0	112.9	A614 M615 V616 L620	A614-H618 WeakPolarHBondContact O-CB 3.07Å; A614-H618 PolarHBondContact O-CD2 2.61Å; A614-H618 PolarHBondContact O-N 3.05Å; M615-H618 CarbonylContact O-C 3.48Å; M615-H618 PolarHBondContact O-N 3.37Å; V616-H618 VanDerWaalsContact C-N 3.28Å; V616-H618 PolarHBondContact O-N 3.1Å; H618-L620 HydrophobicContact CB-CD1 4.45Å; H618-L620 HydrophobicContact CB-CG 4.16Å; H618-L620 PolarHBondContact O-N 3.07Å; H618-L620 VanDerWaalsContact O-N 3.13Å
619	S	72.4	Confident	68.5	Low	116 Å²	116	84.5 Å²	84.5	81%	0.811	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.5	178.3	-55.9	0	0	0	0	114.7	M615	M615-S619 PolarHBondContact O-N 2.8Å
620	L	74.6	Confident	68.5	Low	96 Å²	96	82.3 Å²	82.3	50%	0.503	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-81.2	137.5	179	-59.5	179.4	0	0	0	110.6	M615 H618 L622	M615-L620 HydrophobicContact CB-CB 4.04Å; M615-L620 HydrophobicContact CE-CB 4.2Å; M615-L620 HydrophobicContact CG-CB 4.13Å; M615-L620 HydrophobicContact CG-CD1 4.23Å; M615-L620 PolarHBondContact O-N 2.91Å; H618-L620 HydrophobicContact CB-CD1 4.45Å; H618-L620 HydrophobicContact CB-CG 4.16Å; H618-L620 PolarHBondContact O-N 3.07Å; H618-L620 VanDerWaalsContact O-N 3.13Å; L620-L622 PolarHBondContact O-N 3.5Å
621	P	70	Confident	67.8	Low	114 Å²	114	86.7 Å²	86.7	74%	0.74	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-64.5	130.3	-174.9	25.9	-34.6	0	0	0	111.8	M615	M615-P621 WeakPolarHBondContact CE-O 3.49Å
622	L	62.4	Low	67.2	Low	32 Å²	32	85.3 Å²	85.3	17%	0.168	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-63.9	145.9	-179.6	-68.6	174.5	0	0	0	112	Y612 L620	Y612-L622 HydrophobicContact CD1-CD2 4.47Å; L620-L622 PolarHBondContact O-N 3.5Å
623	P	69.8	Low	66.8	Low	47 Å²	47	91.1 Å²	91.1	31%	0.305	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.7	141.5	175.8	-22.5	35.3	0	0	0	111.9	Y612 M615 T625 I626	Y612-P623 HydrophobicContact CE1-CG 4.04Å; M615-P623 HydrophobicContact CE-CG 4.5Å; P623-T625 PolarHBondContact O-N 2.85Å; P623-I626 PolarHBondContact O-N 3.46Å; P623-I626 VanDerWaalsContact O-N 3.1Å
624	K	66.4	Low	65.6	Low	182 Å²	182	95 Å²	95	79%	0.791	51%	0.51	S	S	*	.	H	α-helix	trans	-57.7	-22.1	-178.7	-66.8	-177.7	178.2	-179.6	0	113.9	L627 K628	K624-L627 PolarHBondContact O-N 2.98Å; K624-K628 WeakPolarHBondContact O-CB 3.48Å; K624-K628 PolarHBondContact O-N 3.38Å
625	T	63.9	Low	64.8	Low	102 Å²	102	101.4 Å²	101.4	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-59.5	-46.9	174.7	45.1	0	0	0	0	112.3	P623 L627 K628 S629	P623-T625 PolarHBondContact O-N 2.85Å; T625-L627 VanDerWaalsContact C-N 3.35Å; T625-K628 PolarHBondContact O-N 3.14Å; T625-S629 PolarHBondContact O-N 3.35Å; T625-S629 PolarHBondContact O-OG 3.25Å
626	I	62.2	Low	63.8	Low	34 Å²	34	108.5 Å²	108.5	17%	0.174	57%	0.571	C	S	.	*	H	α-helix	trans	-68.7	-35.1	179.1	-63.3	179.5	0	0	0	111.3	Y612 P623 K628 S629	Y612-I626 HydrophobicContact CD1-CD1 4.13Å; Y612-I626 HydrophobicContact CE1-CD1 3.6Å; Y612-I626 HydrophobicContact CE2-CD1 4.01Å; P623-I626 PolarHBondContact O-N 3.46Å; P623-I626 VanDerWaalsContact O-N 3.1Å; I626-K628 VanDerWaalsContact C-N 3.33Å; I626-S629 PolarHBondContact O-OG 2.97Å
627	L	64.1	Low	63	Low	85 Å²	85	106.1 Å²	106.1	45%	0.445	56%	0.558	S	S	.	*	H	α-helix	trans	-69.5	-31.6	175.5	-66.9	171.7	0	0	0	112.1	K624 T625	K624-L627 PolarHBondContact O-N 2.98Å; T625-L627 VanDerWaalsContact C-N 3.35Å
628	K	62.7	Low	62.2	Low	130 Å²	130	99.6 Å²	99.6	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-77.1	-41.8	177.8	-160.4	-174.4	-177.6	-145.8	0	112.3	K624 T625 I626 A630 L631 D632	K624-K628 WeakPolarHBondContact O-CB 3.48Å; K624-K628 PolarHBondContact O-N 3.38Å; T625-K628 PolarHBondContact O-N 3.14Å; I626-K628 VanDerWaalsContact C-N 3.33Å; K628-A630 PolarHBondContact O-N 3.4Å; K628-L631 PolarHBondContact O-N 3.1Å; K628-D632 WeakPolarHBondContact CE-OD2 3.35Å; K628-D632 WeakPolarHBondContact CG-OD2 3.36Å; K628-D632 IonicContact NZ-OD2 3.38Å; K628-D632 PolarHBondContact NZ-OD2 3.42Å; K628-D632 PolarHBondContact O-N 3.02Å
629	S	58	Low	61.4	Low	47 Å²	47	94.2 Å²	94.2	33%	0.329	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	15.5	171.8	66.9	0	0	0	0	114.4	T625 I626 S637	T625-S629 PolarHBondContact O-N 3.35Å; T625-S629 PolarHBondContact O-OG 3.25Å; I626-S629 PolarHBondContact O-OG 2.97Å; S629-S637 WeakPolarHBondContact O-CB 3.47Å; S629-S637 PolarHBondContact O-OG 3.38Å
630	A	57.1	Low	60.6	Low	43 Å²	43	93 Å²	93	36%	0.355	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-0.3	172.1	0	0	0	0	0	112.4	K628 L643	K628-A630 PolarHBondContact O-N 3.4Å; A630-L643 HydrophobicContact CB-CD1 3.69Å; A630-L643 HydrophobicContact CB-CD2 3.52Å; A630-L643 HydrophobicContact CB-CG 4.27Å
631	L	60.7	Low	60	Low	138 Å²	138	95.6 Å²	95.6	72%	0.723	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-41	178.8	-157.3	79.5	0	0	0	110.4	K628	K628-L631 PolarHBondContact O-N 3.1Å
632	D	58.8	Low	59.3	Low	75 Å²	75	91.2 Å²	91.2	40%	0.401	49%	0.485	S	S	.	.	S	Bend	trans	-80.6	113.6	168.8	-57.2	-24.2	0	0	0	108	K628 N634	K628-D632 WeakPolarHBondContact CE-OD2 3.35Å; K628-D632 WeakPolarHBondContact CG-OD2 3.36Å; K628-D632 IonicContact NZ-OD2 3.38Å; K628-D632 PolarHBondContact NZ-OD2 3.42Å; K628-D632 PolarHBondContact O-N 3.02Å; D632-N634 PolarHBondContact O-N 2.87Å
633	N	54.4	Low	59.1	Low	156 Å²	156	92.3 Å²	92.3	83%	0.834	49%	0.491	S	S	*	.			trans	-76.3	51.9	-175.7	-66.1	-59.2	0	0	0	113.5
634	N	51.4	Low	58.7	Low	115 Å²	115	92.1 Å²	92.1	62%	0.615	50%	0.498	S	S	*	.			trans	-93	131.2	169.3	-72.1	6.1	0	0	0	109.4	D632 E636	D632-N634 PolarHBondContact O-N 2.87Å; N634-E636 PolarHBondContact O-N 2.84Å
635	D	55.6	Low	58.2	Low	174 Å²	174	88.5 Å²	88.5	93%	0.93	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	1.4	-175.1	-63.9	-64.2	0	0	0	115.3	S637	D635-S637 PolarHBondContact O-N 3.22Å
636	E	55.4	Low	57.8	Low	174 Å²	174	87.8 Å²	87.8	81%	0.813	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	9.9	174.9	-59.3	-171.5	120.8	0	0	114.1	N634 C638	N634-E636 PolarHBondContact O-N 2.84Å; E636-C638 PolarHBondContact O-N 2.97Å
637	S	56.1	Low	57.7	Low	26 Å²	26	93.6 Å²	93.6	18%	0.182	50%	0.498	C	S	.	.			trans	-65.8	99.6	-179	-159.2	0	0	0	0	111.3	S629 D635 A639 P640	S629-S637 WeakPolarHBondContact O-CB 3.47Å; S629-S637 PolarHBondContact O-OG 3.38Å; D635-S637 PolarHBondContact O-N 3.22Å; S637-A639 PolarHBondContact O-N 3.18Å; S637-P640 WeakPolarHBondContact O-CD 3.12Å; S637-P640 WeakPolarHBondContact O-CG 3.41Å
638	C	55.9	Low	57.3	Low	75 Å²	75	97.4 Å²	97.4	51%	0.507	51%	0.511	S	S	.	.	S	Bend	trans	-54.1	-17.8	-169.4	-171.8	0	0	0	0	115.9	E636	E636-C638 PolarHBondContact O-N 2.97Å
639	A	58.5	Low	57.1	Low	18 Å²	18	95 Å²	95	15%	0.149	51%	0.511	C	S	.	.			trans	-147.4	79.3	175.2	0	0	0	0	0	112.9	S637 W641 L642	S637-A639 PolarHBondContact O-N 3.18Å; A639-W641 HydrophobicContact CB-CZ2 4.44Å; A639-W641 PolarHBondContact O-N 3.13Å; A639-W641 VanDerWaalsContact O-N 3.13Å; A639-L642 HydrophobicContact CB-CB 4.08Å; A639-L642 HydrophobicContact CB-CD1 3.75Å; A639-L642 HydrophobicContact CB-CG 4.45Å; A639-L642 WeakPolarHBondContact O-CB 3.42Å; A639-L642 PolarHBondContact O-N 3.42Å
640	P	55.6	Low	57	Low	91 Å²	91	94.9 Å²	94.9	59%	0.591	51%	0.51	S	S	*	.	H	α-helix	trans	-61.6	-28.3	-179.7	-21.7	35.1	0	0	0	112.3	S637 L642 L643	S637-P640 WeakPolarHBondContact O-CD 3.12Å; S637-P640 WeakPolarHBondContact O-CG 3.41Å; P640-L642 VanDerWaalsContact C-N 3.33Å; P640-L642 PolarHBondContact O-N 3.13Å; P640-L643 PolarHBondContact O-N 3.32Å
641	W	61.7	Low	56.9	Low	149 Å²	149	98.3 Å²	98.3	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-67.2	-26	176.2	60.5	-87.5	0	0	0	113.9	A639 L643 G644 M645	A639-W641 HydrophobicContact CB-CZ2 4.44Å; A639-W641 PolarHBondContact O-N 3.13Å; A639-W641 VanDerWaalsContact O-N 3.13Å; W641-L643 VanDerWaalsContact C-N 3.27Å; W641-L643 PolarHBondContact O-N 3.25Å; W641-G644 PolarHBondContact O-N 3.49Å; W641-M645 HydrophobicContact CE3-SD 4.02Å; W641-M645 HydrophobicContact CZ3-SD 3.96Å
642	L	55.3	Low	56.7	Low	22 Å²	22	96.7 Å²	96.7	12%	0.115	51%	0.509	C	S	.	.	H	α-helix	trans	-64.3	-34	178	-117.8	87.5	0	0	0	111.7	A639 P640 G644 M645 H646	A639-L642 HydrophobicContact CB-CB 4.08Å; A639-L642 HydrophobicContact CB-CD1 3.75Å; A639-L642 HydrophobicContact CB-CG 4.45Å; A639-L642 WeakPolarHBondContact O-CB 3.42Å; A639-L642 PolarHBondContact O-N 3.42Å; P640-L642 VanDerWaalsContact C-N 3.33Å; P640-L642 PolarHBondContact O-N 3.13Å; L642-G644 VanDerWaalsContact C-N 3.3Å; L642-G644 PolarHBondContact O-N 2.91Å; L642-M645 PolarHBondContact O-N 2.94Å; L642-H646 PolarHBondContact O-N 3.44Å
643	L	58.3	Low	56.5	Low	55 Å²	55	95.2 Å²	95.2	29%	0.288	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-31.5	-176.3	-57.3	179.5	0	0	0	112.3	A630 P640 W641 M645 K647	A630-L643 HydrophobicContact CB-CD1 3.69Å; A630-L643 HydrophobicContact CB-CD2 3.52Å; A630-L643 HydrophobicContact CB-CG 4.27Å; P640-L643 PolarHBondContact O-N 3.32Å; W641-L643 VanDerWaalsContact C-N 3.27Å; W641-L643 PolarHBondContact O-N 3.25Å; L643-M645 VanDerWaalsContact C-N 3.34Å; L643-K647 WeakPolarHBondContact O-CB 3.46Å; L643-K647 WeakPolarHBondContact O-CG 3.39Å; L643-K647 PolarHBondContact O-N 3.04Å; L643-K647 VanDerWaalsContact O-N 3.1Å
644	G	59.7	Low	56.5	Low	44 Å²	44	91.1 Å²	91.1	45%	0.454	48%	0.482	S	S	.	.	H	α-helix	trans	-66.8	-34.1	171.3	0	0	0	0	0	113.1	W641 L642 K648	W641-G644 PolarHBondContact O-N 3.49Å; L642-G644 VanDerWaalsContact C-N 3.3Å; L642-G644 PolarHBondContact O-N 2.91Å; G644-K648 PolarHBondContact O-N 3.44Å
645	M	57.3	Low	56.7	Low	106 Å²	106	89.4 Å²	89.4	52%	0.522	47%	0.473	S	S	.	.	H	α-helix	trans	-77	-42.6	177.1	-64	-178.1	66.9	0	0	111.9	W641 L642 L643 K647 K648 S649	W641-M645 HydrophobicContact CE3-SD 4.02Å; W641-M645 HydrophobicContact CZ3-SD 3.96Å; L642-M645 PolarHBondContact O-N 2.94Å; L643-M645 VanDerWaalsContact C-N 3.34Å; M645-K647 PolarHBondContact O-N 3Å; M645-K648 PolarHBondContact O-N 2.93Å; M645-S649 PolarHBondContact O-N 3.21Å
646	H	55.6	Low	56.6	Low	87 Å²	87	85.8 Å²	85.8	40%	0.403	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-42.7	177.1	-172.1	-91.6	0	0	0	111.9	L642 K648 S649 S650	L642-H646 PolarHBondContact O-N 3.44Å; H646-K648 VanDerWaalsContact C-N 3.35Å; H646-K648 PolarHBondContact O-N 3.13Å; H646-S649 PolarHBondContact O-N 3.47Å; H646-S650 WeakPolarHBondContact O-CB 3.19Å; H646-S650 PolarHBondContact O-N 3.29Å
647	K	59.1	Low	56.5	Low	155 Å²	155	83.3 Å²	83.3	67%	0.674	44%	0.438	S	S	*	.	H	α-helix	trans	-59	-43.1	174.5	-76.5	179.5	178.1	-178.8	0	112	L643 M645 M651	L643-K647 WeakPolarHBondContact O-CB 3.46Å; L643-K647 WeakPolarHBondContact O-CG 3.39Å; L643-K647 PolarHBondContact O-N 3.04Å; L643-K647 VanDerWaalsContact O-N 3.1Å; M645-K647 PolarHBondContact O-N 3Å; K647-M651 WeakPolarHBondContact O-CB 3.35Å; K647-M651 WeakPolarHBondContact O-CG 3.03Å; K647-M651 PolarHBondContact O-N 3.41Å
648	K	57.2	Low	56.2	Low	165 Å²	165	88.7 Å²	88.7	72%	0.717	46%	0.461	S	S	*	.	H	α-helix	trans	-64.6	-46.1	175.2	-77.9	-174.4	172.4	-172.5	0	112.8	G644 M645 H646 S650 M651 Q652	G644-K648 PolarHBondContact O-N 3.44Å; M645-K648 PolarHBondContact O-N 2.93Å; H646-K648 VanDerWaalsContact C-N 3.35Å; H646-K648 PolarHBondContact O-N 3.13Å; K648-S650 PolarHBondContact O-N 3.32Å; K648-M651 PolarHBondContact O-N 3.48Å; K648-Q652 PolarHBondContact O-N 2.99Å
649	S	57.8	Low	55.7	Low	80 Å²	80	92.3 Å²	92.3	56%	0.559	47%	0.47	S	S	*	.	H	α-helix	trans	-62.1	-43.7	179.6	-159.2	0	0	0	0	112.1	M645 H646 Q652 S653	M645-S649 PolarHBondContact O-N 3.21Å; H646-S649 PolarHBondContact O-N 3.47Å; S649-Q652 PolarHBondContact O-N 3.2Å; S649-S653 PolarHBondContact O-N 3.41Å; S649-S653 PolarHBondContact O-OG 2.98Å
650	S	54.5	Low	55.1	Low	45 Å²	45	98.4 Å²	98.4	32%	0.315	50%	0.5	S	S	.	.	H	α-helix	trans	-71.5	-28.3	178.4	-177.1	0	0	0	0	113.7	H646 K648 S653 N654	H646-S650 WeakPolarHBondContact O-CB 3.19Å; H646-S650 PolarHBondContact O-N 3.29Å; K648-S650 PolarHBondContact O-N 3.32Å; S650-S653 PolarHBondContact O-OG 3.14Å; S650-N654 WeakPolarHBondContact O-CB 3.36Å; S650-N654 PolarHBondContact O-N 3.38Å; S650-N654 PolarHBondContact O-ND2 3.31Å; S650-N654 PolarHBondContact O-OD1 3.29Å
651	M	55.1	Low	54.7	Low	115 Å²	115	102 Å²	102	57%	0.567	51%	0.506	S	S	*	.	H	α-helix	trans	-68.8	-46.8	170.2	-70.1	-84.4	94.3	0	0	110.3	K647 K648 S653 N654 I655	K647-M651 WeakPolarHBondContact O-CB 3.35Å; K647-M651 WeakPolarHBondContact O-CG 3.03Å; K647-M651 PolarHBondContact O-N 3.41Å; K648-M651 PolarHBondContact O-N 3.48Å; M651-S653 PolarHBondContact O-N 3.02Å; M651-N654 PolarHBondContact O-N 3.01Å; M651-N654 VanDerWaalsContact O-N 3.14Å; M651-I655 WeakPolarHBondContact O-CG1 3.43Å; M651-I655 PolarHBondContact O-N 3.34Å
652	Q	56.8	Low	53.7	Low	104 Å²	104	103 Å²	103	49%	0.486	52%	0.516	S	S	.	.	H	α-helix	trans	-57.1	-49.6	178.3	-169.9	65.9	32.7	0	0	111.7	K648 S649 N654 I655 E656	K648-Q652 PolarHBondContact O-N 2.99Å; S649-Q652 PolarHBondContact O-N 3.2Å; Q652-N654 VanDerWaalsContact C-N 3.25Å; Q652-N654 PolarHBondContact O-N 3.45Å; Q652-I655 PolarHBondContact O-N 3.25Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.35Å; Q652-E656 PolarHBondContact NE2-OE1 3.25Å; Q652-E656 WeakPolarHBondContact O-CG 3.35Å; Q652-E656 PolarHBondContact O-N 3.27Å
653	S	55.4	Low	52.7	Low	44 Å²	44	109.2 Å²	109.2	31%	0.308	55%	0.55	S	S	.	.	H	α-helix	trans	-64.6	-27.1	178.5	65	0	0	0	0	114	S649 S650 M651 Q657	S649-S653 PolarHBondContact O-N 3.41Å; S649-S653 PolarHBondContact O-OG 2.98Å; S650-S653 PolarHBondContact O-OG 3.14Å; M651-S653 PolarHBondContact O-N 3.02Å; S653-Q657 WeakPolarHBondContact O-CB 3.25Å; S653-Q657 VanDerWaalsContact O-CG 3.23Å; S653-Q657 WeakPolarHBondContact O-CG 3.23Å; S653-Q657 PolarHBondContact O-N 3.17Å
654	N	53.6	Low	51.9	Low	69 Å²	69	111.7 Å²	111.7	37%	0.369	57%	0.569	S	S	.	*	H	α-helix	trans	-81.8	-31.4	178.5	-72.4	-2.1	0	0	0	112.1	S650 M651 Q652 Q658	S650-N654 WeakPolarHBondContact O-CB 3.36Å; S650-N654 PolarHBondContact O-N 3.38Å; S650-N654 PolarHBondContact O-ND2 3.31Å; S650-N654 PolarHBondContact O-OD1 3.29Å; M651-N654 PolarHBondContact O-N 3.01Å; M651-N654 VanDerWaalsContact O-N 3.14Å; Q652-N654 VanDerWaalsContact C-N 3.25Å; Q652-N654 PolarHBondContact O-N 3.45Å; N654-Q658 VanDerWaalsContact O-CG 3.25Å; N654-Q658 WeakPolarHBondContact O-CG 3.37Å; N654-Q658 PolarHBondContact O-N 2.77Å
655	I	56.3	Low	50.7	Low	80 Å²	80	117.2 Å²	117.2	41%	0.41	59%	0.587	S	S	.	*	H	α-helix	trans	-68.3	-50.4	172.3	-67.7	163	0	0	0	109.4	M651 Q652 Q657 Q658 E659	M651-I655 WeakPolarHBondContact O-CG1 3.43Å; M651-I655 PolarHBondContact O-N 3.34Å; Q652-I655 PolarHBondContact O-N 3.25Å; I655-Q657 PolarHBondContact O-N 2.97Å; I655-Q657 VanDerWaalsContact O-N 3.17Å; I655-Q658 PolarHBondContact O-N 3.46Å; I655-E659 HydrophobicContact CG2-CG 4.43Å; I655-E659 PolarHBondContact O-N 3.24Å
656	E	53.1	Low	49.9	Very low	97 Å²	97	119.8 Å²	119.8	45%	0.453	60%	0.601	S	S	.	*	H	α-helix	trans	-60.2	-28.6	178	-70.4	168.7	-172.5	0	0	112.9	Q652	Q652-E656 WeakPolarHBondContact CG-OE1 3.35Å; Q652-E656 PolarHBondContact NE2-OE1 3.25Å; Q652-E656 WeakPolarHBondContact O-CG 3.35Å; Q652-E656 PolarHBondContact O-N 3.27Å
657	Q	53.4	Low	49	Very low	122 Å²	122	121.7 Å²	121.7	57%	0.57	61%	0.614	S	S	*	*	H	α-helix	trans	-86.4	-7.5	174.1	-73.8	-179.2	37	0	0	115.1	S653 I655	S653-Q657 WeakPolarHBondContact O-CB 3.25Å; S653-Q657 VanDerWaalsContact O-CG 3.23Å; S653-Q657 WeakPolarHBondContact O-CG 3.23Å; S653-Q657 PolarHBondContact O-N 3.17Å; I655-Q657 PolarHBondContact O-N 2.97Å; I655-Q657 VanDerWaalsContact O-N 3.17Å
658	Q	48.9	Very low	47.8	Very low	140 Å²	140	118.1 Å²	118.1	65%	0.654	61%	0.609	S	S	*	*	H	α-helix	trans	-98.4	-38.4	173.8	-75.2	175.7	16.2	0	0	111.5	N654 I655 L660 K661	N654-Q658 VanDerWaalsContact O-CG 3.25Å; N654-Q658 WeakPolarHBondContact O-CG 3.37Å; N654-Q658 PolarHBondContact O-N 2.77Å; I655-Q658 PolarHBondContact O-N 3.46Å; Q658-L660 VanDerWaalsContact C-N 3.28Å; Q658-L660 PolarHBondContact O-N 2.92Å; Q658-K661 PolarHBondContact O-N 3.28Å
659	E	46.3	Very low	46.9	Very low	150 Å²	150	117.4 Å²	117.4	70%	0.701	61%	0.613	S	S	*	*	H	α-helix	trans	-64.1	-31.6	173.5	-66.9	-176.6	139	0	0	112.1	I655 K661	I655-E659 HydrophobicContact CG2-CG 4.43Å; I655-E659 PolarHBondContact O-N 3.24Å; E659-K661 PolarHBondContact O-N 3.17Å; E659-K661 VanDerWaalsContact O-N 3.17Å
660	L	46.2	Very low	45.8	Very low	147 Å²	147	121.1 Å²	121.1	77%	0.77	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	21.8	175.5	-79.2	170.8	0	0	0	115.2	Q658	Q658-L660 VanDerWaalsContact C-N 3.28Å; Q658-L660 PolarHBondContact O-N 2.92Å
661	K	47.9	Very low	44.8	Very low	166 Å²	166	124.2 Å²	124.2	72%	0.722	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	13.5	-179.4	-73.2	-174.4	179.2	170.4	0	115.3	Q658 E659	Q658-K661 PolarHBondContact O-N 3.28Å; E659-K661 PolarHBondContact O-N 3.17Å; E659-K661 VanDerWaalsContact O-N 3.17Å
662	Q	38.9	Very low	43.9	Very low	169 Å²	169	125.3 Å²	125.3	79%	0.79	66%	0.655	S	S	*	*			trans	-130.7	61.7	178.2	-68.6	-172.3	-19.1	0	0	112	P664	Q662-P664 WeakPolarHBondContact O-CD 3.1Å
663	D	34.9	Very low	43	Very low	153 Å²	153	127.6 Å²	127.6	82%	0.818	67%	0.67	S	S	*	*			trans	-85	100.7	158.3	-72	-46.6	0	0	0	108.9	I665	D663-I665 PolarHBondContact O-N 3.4Å
664	P	42.2	Very low	42.2	Very low	107 Å²	107	130.4 Å²	130.4	70%	0.695	69%	0.69	S	S	*	*			trans	-71.2	124.5	171.5	29.7	-34.1	0	0	0	109.9	Q662 I666	Q662-P664 WeakPolarHBondContact O-CD 3.1Å; P664-I666 PolarHBondContact O-N 3.41Å
665	I	35	Very low	41.3	Very low	161 Å²	161	132.3 Å²	132.3	83%	0.826	71%	0.708	S	S	*	*			trans	-64.5	108.7	176.8	-58.8	166.6	0	0	0	108.9	D663	D663-I665 PolarHBondContact O-N 3.4Å
666	I	40.5	Very low	40.2	Very low	159 Å²	159	134.6 Å²	134.6	82%	0.815	73%	0.728	S	S	*	*			trans	-103.9	99.2	167.4	-60.3	179.5	0	0	0	107.1	P664	P664-I666 PolarHBondContact O-N 3.41Å
667	D	36.4	Very low	39.3	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	75%	0.747	S	S	*	*			trans	-85.8	136.1	-179.9	-154.5	-29.1	0	0	0	111
668	S	33.8	Very low	38.5	Very low	80 Å²	80	137.2 Å²	137.2	56%	0.559	76%	0.76	S	S	*	*			trans	14.1	116.7	168	52.8	0	0	0	0	120.2
669	N	37.9	Very low	37.9	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	76%	0.756	S	S	*	*				157.8	157.6	109	-79.4	-59.9	0	0	0	113.7
670	N	35.4	Very low	37.4	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	77%	0.765	S	S	*	*			trans	61.2	105.2	175.5	-74.3	4.5	0	0	0	119
671	C	32.7	Very low	36.9	Very low	109 Å²	109	134.3 Å²	134.3	74%	0.736	76%	0.76	S	S	*	*			trans	-53.8	153.4	144.4	-47.2	0	0	0	0	110
672	D	36.7	Very low	36.1	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	77%	0.768	S	S	*	*				-163.6	140.7	68.9	-93.6	-34.6	0	0	0	114.8
673	L	38.2	Very low	35.8	Very low	153 Å²	153	136.5 Å²	136.5	80%	0.801	77%	0.769	S	S	*	*			trans	17.3	115.9	137.4	-62.2	159.9	0	0	0	117
674	S	37.4	Very low	35.7	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	77%	0.77	S	S	*	*				167.3	162.1	57.8	49.1	0	0	0	0	112.9
675	S	34.9	Very low	35.2	Very low	109 Å²	109	139.5 Å²	139.5	76%	0.762	78%	0.778	S	S	*	*			trans	66.9	109.4	157.7	-53.8	0	0	0	0	120
676	P	34.2	Very low	35.1	Very low	127 Å²	127	137.5 Å²	137.5	83%	0.825	78%	0.778	S	S	*	*			trans	-107.1	109.7	-178.2	36.4	-28.7	0	0	0	115.5
677	T	33.1	Very low	34.7	Very low	138 Å²	138	138 Å²	138	85%	0.847	78%	0.781	S	S	*	*			trans	-148.2	58.6	171.8	-40.7	0	0	0	0	115.5
678	T	36.8	Very low	34.7	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	79%	0.787	S	S	*	*			trans	-155	142.2	159.2	-10.8	0	0	0	0	106.1
679	T	36.6	Very low	34.5	Very low	96 Å²	96	141.7 Å²	141.7	59%	0.589	80%	0.797	S	S	*	*			cis	-151.7	137.8	29.5	-63.1	0	0	0	0	110.8
680	I	35.7	Very low	34.2	Very low	171 Å²	171	139.1 Å²	139.1	88%	0.877	79%	0.791	S	S	*	*			trans	-124.9	77	166.1	-56.1	179.7	0	0	0	108
681	T	36.3	Very low	34.1	Very low	108 Å²	108	138.5 Å²	138.5	66%	0.663	79%	0.788	S	S	*	*			trans	-153.7	45.3	-174.1	-17.9	0	0	0	0	114.8
682	Y	31.6	Very low	34.2	Very low	229 Å²	229	142.2 Å²	142.2	90%	0.898	79%	0.794	S	S	*	*			trans	-138.7	61.9	165.6	-78.1	-66.1	0	0	0	111.6
683	L	31.8	Very low	34	Very low	153 Å²	153	140.4 Å²	140.4	80%	0.801	79%	0.792	S	S	*	*			trans	-126.9	158.7	163.1	-76.3	174.5	0	0	0	108.6
684	T	31.8	Very low	33.9	Very low	138 Å²	138	139 Å²	139	85%	0.847	79%	0.786	S	S	*	*	S	Bend	trans	69.1	151.7	-177	50.3	0	0	0	0	117.1
685	E	33	Very low	33.7	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	79%	0.787	S	S	*	*			trans	66.1	79.6	169.4	-59.3	-174.3	165.3	0	0	119.3
686	S	32.9	Very low	33.6	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	81%	0.809	S	S	*	*			trans	-173.3	44.9	139.1	-81.4	0	0	0	0	114	Q688	S686-Q688 VanDerWaalsContact C-N 3.34Å; S686-Q688 PolarHBondContact O-N 3.06Å; S686-Q688 VanDerWaalsContact O-N 3.14Å
687	I	32.5	Very low	33.6	Very low	170 Å²	170	149.6 Å²	149.6	87%	0.872	81%	0.808	S	S	*	*			trans	-85.4	77.7	170.3	-55.4	-179.8	0	0	0	109.2
688	Q	36.3	Very low	33.6	Very low	175 Å²	175	150.2 Å²	150.2	82%	0.818	81%	0.806	S	S	*	*			trans	-151	124.7	172.4	-144.4	88.7	23.9	0	0	111.8	S686	S686-Q688 VanDerWaalsContact C-N 3.34Å; S686-Q688 PolarHBondContact O-N 3.06Å; S686-Q688 VanDerWaalsContact O-N 3.14Å
689	S	30	Very low	33.4	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	80%	0.804	S	S	*	*			trans	64.6	132.1	168.2	53.3	0	0	0	0	121.3
690	S	30.9	Very low	33.2	Very low	96 Å²	96	154.1 Å²	154.1	67%	0.671	82%	0.817	S	S	*	*			trans	60.1	110	146.8	53.6	0	0	0	0	121.9
691	N	32.2	Very low	33.1	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	81%	0.813	S	S	*	*				60.7	141.7	126	-56.5	-1.3	0	0	0	121.6
692	E	35.3	Very low	32.9	Very low	186 Å²	186	156.1 Å²	156.1	87%	0.869	82%	0.823	S	S	*	*			trans	60.7	153.3	172.4	-65.9	176.6	104.1	0	0	114.2
693	S	31.9	Very low	32.9	Very low	100 Å²	100	150.9 Å²	150.9	70%	0.699	82%	0.818	S	S	*	*			cis	-164.3	171.5	-25.3	-97.5	0	0	0	0	105.8
694	D	36.2	Very low	33	Very low	124 Å²	124	150.7 Å²	150.7	66%	0.663	82%	0.819	S	S	*	*			trans	66.5	103.6	168	-109	-16.9	0	0	0	118.2
695	K	33.2	Very low	33.1	Very low	171 Å²	171	151.8 Å²	151.8	74%	0.743	82%	0.817	S	S	*	*			trans	66.3	137.3	152.6	-57.1	141.5	-175.6	135.8	0	116.6
696	I	33.5	Very low	33.2	Very low	240 Å²	240	148.7 Å²	148.7	100%	1.231	81%	0.813	S	S	*	*			cis	-117.4	0	21.2	-66	170.2	0	0	0	111.1

Retrieved 696 of 696 residues in 133.7 ms (Link to these results)

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