A0A3Q0KF28_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A3Q0KF28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 578 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	37.5	Very low	39	Very low	197 Å²	197	134 Å²	134	97%	0.97	69%	0.694	S	S	*	*				0	-52.5	0	-153.4	175	-98	0	0	112.1	Q3 S4 T5	M1-Q3 PolarHBondContact O-N 3.34Å; M1-S4 WeakPolarHBondContact CA-OG 3.34Å; M1-S4 PolarHBondContact O-N 2.87Å; M1-S4 PolarHBondContact O-OG 3.32Å; M1-T5 PolarHBondContact O-N 2.93Å; M1-T5 PolarHBondContact O-OG1 3.41Å
2	I	37.4	Very low	39.3	Very low	139 Å²	139	130.6 Å²	130.6	71%	0.713	68%	0.683	S	S	*	*	H	α-helix	trans	-62.6	-40.9	176.8	-63.2	172.6	0	0	0	112.7	S4 T5 L6	I2-S4 PolarHBondContact O-N 2.86Å; I2-T5 PolarHBondContact O-N 2.99Å; I2-L6 HydrophobicContact CG2-CD1 4Å; I2-L6 PolarHBondContact O-N 3.38Å
3	Q	35	Very low	39.5	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	70%	0.699	S	S	*	*	H	α-helix	trans	-68.8	-28.3	175.2	-84.7	177.8	-26.6	0	0	114.3	M1 K7	M1-Q3 PolarHBondContact O-N 3.34Å; Q3-K7 PolarHBondContact O-N 3.33Å
4	S	39.3	Very low	40.3	Very low	75 Å²	75	130.1 Å²	130.1	52%	0.524	68%	0.683	S	S	.	*	H	α-helix	trans	-77.9	-33.1	175.9	54.4	0	0	0	0	111.5	M1 I2 S8	M1-S4 WeakPolarHBondContact CA-OG 3.34Å; M1-S4 PolarHBondContact O-N 2.87Å; M1-S4 PolarHBondContact O-OG 3.32Å; I2-S4 PolarHBondContact O-N 2.86Å; S4-S8 PolarHBondContact O-N 3.41Å
5	T	39.3	Very low	40.9	Very low	83 Å²	83	128.5 Å²	128.5	51%	0.509	68%	0.681	S	S	.	*	H	α-helix	trans	-71.1	-37.6	174	-45.9	0	0	0	0	111.7	M1 I2 S8 C9	M1-T5 PolarHBondContact O-N 2.93Å; M1-T5 PolarHBondContact O-OG1 3.41Å; I2-T5 PolarHBondContact O-N 2.99Å; T5-S8 PolarHBondContact O-N 3.47Å; T5-C9 PolarHBondContact O-N 2.81Å
6	L	39.1	Very low	41.3	Very low	112 Å²	112	131.1 Å²	131.1	59%	0.586	69%	0.685	S	S	*	*	H	α-helix	trans	-64.2	-39.6	173.9	-86.4	156.6	0	0	0	113.1	I2 S8 C9	I2-L6 HydrophobicContact CG2-CD1 4Å; I2-L6 PolarHBondContact O-N 3.38Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.14Å; L6-C9 PolarHBondContact O-N 3.41Å
7	K	41.4	Very low	42	Very low	166 Å²	166	128.7 Å²	128.7	72%	0.722	67%	0.673	S	S	*	*	H	α-helix	trans	-68.7	-27.2	174.8	-85.1	-175.2	174.3	-177.6	0	113.4	Q3	Q3-K7 PolarHBondContact O-N 3.33Å
8	S	35.8	Very low	42.2	Very low	86 Å²	86	128.1 Å²	128.1	60%	0.601	67%	0.67	S	S	*	*	H	α-helix	trans	-78.2	-28.5	176.5	-161.9	0	0	0	0	112.8	S4 T5 L6	S4-S8 PolarHBondContact O-N 3.41Å; T5-S8 PolarHBondContact O-N 3.47Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.14Å
9	C	38.7	Very low	42.4	Very low	90 Å²	90	128.6 Å²	128.6	61%	0.608	67%	0.671	S	S	*	*	H	α-helix	trans	-76.2	-18.1	176.4	-78.6	0	0	0	0	114.1	T5 L6 K11	T5-C9 PolarHBondContact O-N 2.81Å; L6-C9 PolarHBondContact O-N 3.41Å; C9-K11 PolarHBondContact O-N 3.3Å
10	Q	41	Very low	42.9	Very low	170 Å²	170	128.7 Å²	128.7	79%	0.794	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-4.4	175	-81.1	-179.1	-46.3	0	0	113.8
11	K	44.4	Very low	43	Very low	191 Å²	191	131 Å²	131	83%	0.83	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	3.6	-171.3	-132.9	176.4	-175.6	-177.9	0	115	C9	C9-K11 PolarHBondContact O-N 3.3Å
12	T	42.4	Very low	43.5	Very low	93 Å²	93	126 Å²	126	57%	0.571	65%	0.645	S	S	*	*			trans	-123.6	116.6	-178.5	46.8	0	0	0	0	110.9	N14	T12-N14 PolarHBondContact O-N 3.26Å
13	N	42.5	Very low	43.8	Very low	165 Å²	165	124.7 Å²	124.7	88%	0.882	64%	0.64	S	S	*	*			trans	-66.6	47.3	178.6	-84.7	-16.4	0	0	0	114.3
14	N	50.4	Low	44.4	Very low	89 Å²	89	125.3 Å²	125.3	48%	0.476	64%	0.64	S	S	.	*			trans	-105.8	41.1	179	-74.6	34.9	0	0	0	112.1	T12 F16 D17 L18	T12-N14 PolarHBondContact O-N 3.26Å; N14-F16 PolarHBondContact O-N 3.48Å; N14-D17 HydrophobicContact CB-CB 4.32Å; N14-D17 PolarHBondContact ND2-OD2 3.28Å; N14-D17 PolarHBondContact O-N 3.11Å; N14-L18 PolarHBondContact O-N 3.23Å; N14-L18 VanDerWaalsContact O-N 3.17Å
15	T	49	Very low	44.9	Very low	107 Å²	107	125.9 Å²	125.9	66%	0.656	64%	0.64	S	S	*	*	H	α-helix	trans	-60.6	-27.4	175.5	47.6	0	0	0	0	112.3	M19	T15-M19 WeakPolarHBondContact O-CB 3.35Å; T15-M19 WeakPolarHBondContact O-CG 3.46Å; T15-M19 PolarHBondContact O-N 3.48Å; T15-M19 VanDerWaalsContact O-N 3.09Å
16	F	48.5	Very low	45.1	Very low	170 Å²	170	125.1 Å²	125.1	75%	0.746	64%	0.638	S	S	*	*	H	α-helix	trans	-74	-41.2	178.3	-147.1	-94.4	0	0	0	113	N14 L18 M19 Q20	N14-F16 PolarHBondContact O-N 3.48Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-M19 PolarHBondContact O-N 2.95Å; F16-Q20 WeakPolarHBondContact O-CB 3.48Å; F16-Q20 PolarHBondContact O-N 2.95Å
17	D	52.4	Low	45.4	Very low	90 Å²	90	126.6 Å²	126.6	48%	0.481	65%	0.646	S	S	.	*	H	α-helix	trans	-68	-36.3	175.5	-68.5	-32.1	0	0	0	111.6	N14 Q20 Y21	N14-D17 HydrophobicContact CB-CB 4.32Å; N14-D17 PolarHBondContact ND2-OD2 3.28Å; N14-D17 PolarHBondContact O-N 3.11Å; D17-Q20 PolarHBondContact O-N 2.8Å; D17-Y21 VanDerWaalsContact O-CB 3.29Å; D17-Y21 WeakPolarHBondContact O-CB 3.46Å; D17-Y21 PolarHBondContact O-N 3.05Å
18	L	45.9	Very low	45.3	Very low	117 Å²	117	124.4 Å²	124.4	61%	0.613	64%	0.642	S	S	*	*	H	α-helix	trans	-66.1	-42.3	176.5	-140.7	93	0	0	0	111.1	N14 F16 Y21 I22	N14-L18 PolarHBondContact O-N 3.23Å; N14-L18 VanDerWaalsContact O-N 3.17Å; F16-L18 VanDerWaalsContact C-N 3.34Å; L18-Y21 PolarHBondContact O-N 2.9Å; L18-I22 HydrophobicContact CD2-CD1 4.16Å; L18-I22 HydrophobicContact CG-CD1 4.35Å; L18-I22 WeakPolarHBondContact O-CB 3.45Å; L18-I22 WeakPolarHBondContact O-CD1 3.38Å; L18-I22 WeakPolarHBondContact O-CG1 3.15Å; L18-I22 PolarHBondContact O-N 3.46Å
19	M	46.4	Very low	45.6	Very low	139 Å²	139	126.1 Å²	126.1	69%	0.685	65%	0.654	S	S	*	*	H	α-helix	trans	-64	-41.1	175.2	-74.6	-95.3	-149.1	0	0	111.6	T15 F16 I22 N23	T15-M19 WeakPolarHBondContact O-CB 3.35Å; T15-M19 WeakPolarHBondContact O-CG 3.46Å; T15-M19 PolarHBondContact O-N 3.48Å; T15-M19 VanDerWaalsContact O-N 3.09Å; F16-M19 PolarHBondContact O-N 2.95Å; M19-I22 PolarHBondContact O-N 3.02Å; M19-N23 VanDerWaalsContact O-CB 3.31Å; M19-N23 WeakPolarHBondContact O-CB 3.27Å; M19-N23 PolarHBondContact O-N 2.89Å
20	Q	50.9	Low	46.1	Very low	130 Å²	130	127.2 Å²	127.2	61%	0.607	66%	0.662	S	S	*	*	H	α-helix	trans	-70.4	-34.1	178.7	-154.8	179.1	18.6	0	0	112.3	F16 D17 K24	F16-Q20 WeakPolarHBondContact O-CB 3.48Å; F16-Q20 PolarHBondContact O-N 2.95Å; D17-Q20 PolarHBondContact O-N 2.8Å; Q20-K24 PolarHBondContact O-N 3.44Å
21	Y	45.6	Very low	46.8	Very low	176 Å²	176	124 Å²	124	69%	0.69	65%	0.654	S	S	*	*	H	α-helix	trans	-67.1	-45.4	172.3	-168.1	-95.8	0	0	0	111.5	D17 L18 N23 K24 T25	D17-Y21 VanDerWaalsContact O-CB 3.29Å; D17-Y21 WeakPolarHBondContact O-CB 3.46Å; D17-Y21 PolarHBondContact O-N 3.05Å; L18-Y21 PolarHBondContact O-N 2.9Å; Y21-N23 PolarHBondContact O-N 3.07Å; Y21-K24 PolarHBondContact O-N 3.24Å; Y21-T25 PolarHBondContact O-N 2.87Å; Y21-T25 PolarHBondContact O-OG1 3.08Å
22	I	49.2	Very low	47.4	Very low	93 Å²	93	120 Å²	120	48%	0.477	64%	0.641	S	S	.	*	H	α-helix	trans	-63.6	-41.8	178.1	-69.6	164.5	0	0	0	111.4	L18 M19 K24 T25 S26	L18-I22 HydrophobicContact CD2-CD1 4.16Å; L18-I22 HydrophobicContact CG-CD1 4.35Å; L18-I22 WeakPolarHBondContact O-CB 3.45Å; L18-I22 WeakPolarHBondContact O-CD1 3.38Å; L18-I22 WeakPolarHBondContact O-CG1 3.15Å; L18-I22 PolarHBondContact O-N 3.46Å; M19-I22 PolarHBondContact O-N 3.02Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 2.73Å; I22-T25 VanDerWaalsContact CA-OG1 3.31Å; I22-T25 WeakPolarHBondContact CA-OG1 3.2Å; I22-T25 PolarHBondContact O-N 3.4Å; I22-T25 PolarHBondContact O-OG1 3.28Å; I22-S26 PolarHBondContact O-N 3.14Å; I22-S26 VanDerWaalsContact O-N 3.08Å
23	N	42.8	Very low	48.5	Very low	112 Å²	112	118.8 Å²	118.8	60%	0.599	64%	0.635	S	S	*	*	H	α-helix	trans	-71.2	-21.8	-179.4	-143.1	14.8	0	0	0	113.1	M19 Y21 S26	M19-N23 VanDerWaalsContact O-CB 3.31Å; M19-N23 WeakPolarHBondContact O-CB 3.27Å; M19-N23 PolarHBondContact O-N 2.89Å; Y21-N23 PolarHBondContact O-N 3.07Å; N23-S26 PolarHBondContact O-OG 3.2Å; N23-S26 VanDerWaalsContact O-OG 3.12Å
24	K	47.7	Very low	49.6	Very low	178 Å²	178	113.7 Å²	113.7	77%	0.774	61%	0.608	S	S	*	*	H	α-helix	trans	-81.8	-26.2	173.4	-151	173.1	-173	178	0	112.2	Q20 Y21 I22	Q20-K24 PolarHBondContact O-N 3.44Å; Y21-K24 PolarHBondContact O-N 3.24Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 2.73Å
25	T	48.9	Very low	50.5	Low	86 Å²	86	113.5 Å²	113.5	53%	0.528	61%	0.613	S	S	.	*	H	α-helix	trans	-83.9	-23.4	174.4	35.1	0	0	0	0	114.6	Y21 I22 L27	Y21-T25 PolarHBondContact O-N 2.87Å; Y21-T25 PolarHBondContact O-OG1 3.08Å; I22-T25 VanDerWaalsContact CA-OG1 3.31Å; I22-T25 WeakPolarHBondContact CA-OG1 3.2Å; I22-T25 PolarHBondContact O-N 3.4Å; I22-T25 PolarHBondContact O-OG1 3.28Å; T25-L27 VanDerWaalsContact C-N 3.33Å; T25-L27 PolarHBondContact O-N 3.06Å
26	S	44.4	Very low	51.5	Low	68 Å²	68	113.3 Å²	113.3	48%	0.476	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-15.5	-179	57.3	0	0	0	0	114.4	I22 N23	I22-S26 PolarHBondContact O-N 3.14Å; I22-S26 VanDerWaalsContact O-N 3.08Å; N23-S26 PolarHBondContact O-OG 3.2Å; N23-S26 VanDerWaalsContact O-OG 3.12Å
27	L	44.7	Very low	52.6	Low	143 Å²	143	107.8 Å²	107.8	75%	0.749	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	4.6	-178.5	-83	157	0	0	0	115.2	T25	T25-L27 VanDerWaalsContact C-N 3.33Å; T25-L27 PolarHBondContact O-N 3.06Å
28	N	40.5	Very low	53.5	Low	120 Å²	120	107.5 Å²	107.5	64%	0.642	58%	0.579	S	S	*	*			trans	-125.5	47.8	176.9	-88	-17.3	0	0	0	112.7	S30 V31	N28-S30 PolarHBondContact O-N 3.02Å; N28-V31 PolarHBondContact O-N 3.36Å
29	S	41.2	Very low	54.7	Low	122 Å²	122	105.2 Å²	105.2	85%	0.853	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	12	-174.4	48	0	0	0	0	116.7
30	S	49.8	Very low	56.1	Low	112 Å²	112	106.1 Å²	106.1	78%	0.783	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-1.4	176.4	58.6	0	0	0	0	114.8	N28	N28-S30 PolarHBondContact O-N 3.02Å
31	V	54.9	Low	57.2	Low	102 Å²	102	102.2 Å²	102.2	62%	0.618	55%	0.552	S	S	*	*	S	Bend	trans	-105.5	111.5	-178.5	-174.6	0	0	0	0	109.5	N28 P33	N28-V31 PolarHBondContact O-N 3.36Å; V31-P33 VanDerWaalsContact O-CD 3.26Å; V31-P33 WeakPolarHBondContact O-CD 3.41Å; V31-P33 VanDerWaalsContact O-N 3.13Å
32	I	57.5	Low	58.4	Low	107 Å²	107	98.1 Å²	98.1	55%	0.549	54%	0.542	S	S	.	.			trans	-56.8	118.2	172.1	-57.8	172.2	0	0	0	107.4	D34 L36 I37	I32-D34 PolarHBondContact O-N 3.09Å; I32-L36 HydrophobicContact CG2-CB 3.8Å; I32-L36 HydrophobicContact CG2-CD1 4.33Å; I32-I37 HydrophobicContact CB-CD1 4.23Å; I32-I37 HydrophobicContact CB-CG1 4.12Å; I32-I37 HydrophobicContact CG2-CD1 4.3Å; I32-I37 HydrophobicContact CG2-CG1 3.65Å
33	P	64.8	Low	59.6	Low	68 Å²	68	97.4 Å²	97.4	44%	0.442	55%	0.545	S	S	.	.			trans	-59.1	138.6	-179.1	17.2	-28.1	0	0	0	110.5	V31 S35 L36 I37	V31-P33 VanDerWaalsContact O-CD 3.26Å; V31-P33 WeakPolarHBondContact O-CD 3.41Å; V31-P33 VanDerWaalsContact O-N 3.13Å; P33-S35 PolarHBondContact O-N 3.4Å; P33-L36 HydrophobicContact CG-CB 4.49Å; P33-L36 HydrophobicContact CG-CD1 3.64Å; P33-L36 HydrophobicContact CG-CG 3.96Å; P33-L36 WeakPolarHBondContact O-CA 3.36Å; P33-L36 WeakPolarHBondContact O-CB 3.39Å; P33-L36 PolarHBondContact O-N 3.42Å; P33-I37 PolarHBondContact O-N 2.91Å
34	D	66.6	Low	61.7	Low	59 Å²	59	94.3 Å²	94.3	32%	0.316	53%	0.529	S	S	.	.	H	α-helix	trans	-51.8	-31.5	-175.7	-72.3	-31.2	0	0	0	114.4	I32 L36 I37 K38 S528	I32-D34 PolarHBondContact O-N 3.09Å; D34-L36 VanDerWaalsContact C-N 3.3Å; D34-L36 PolarHBondContact O-N 3.44Å; D34-I37 PolarHBondContact O-N 2.91Å; D34-K38 VanDerWaalsContact O-CB 3.31Å; D34-K38 WeakPolarHBondContact O-CB 3.5Å; D34-K38 WeakPolarHBondContact O-CG 3.41Å; D34-K38 PolarHBondContact O-N 2.77Å; D34-S528 WeakPolarHBondContact OD1-CB 3.36Å; D34-S528 PolarHBondContact OD1-OG 3.01Å; D34-S528 WeakPolarHBondContact OD2-CA 3.42Å; D34-S528 WeakPolarHBondContact OD2-CB 3.05Å; D34-S528 PolarHBondContact OD2-OG 3Å
35	S	68	Low	63.5	Low	85 Å²	85	89.4 Å²	89.4	59%	0.594	52%	0.515	S	S	*	.	H	α-helix	trans	-60.1	-40	175.3	54.4	0	0	0	0	111.7	P33 S39	P33-S35 PolarHBondContact O-N 3.4Å; S35-S39 WeakPolarHBondContact O-CA 3.38Å; S35-S39 WeakPolarHBondContact O-CB 3.47Å; S35-S39 PolarHBondContact O-N 3.45Å
36	L	70.8	Confident	65.4	Low	102 Å²	102	91.2 Å²	91.2	53%	0.534	52%	0.52	S	S	.	.	H	α-helix	trans	-71.4	-42	176.8	-68.9	178.4	0	0	0	111.6	I32 P33 D34 S39 W40	I32-L36 HydrophobicContact CG2-CB 3.8Å; I32-L36 HydrophobicContact CG2-CD1 4.33Å; P33-L36 HydrophobicContact CG-CB 4.49Å; P33-L36 HydrophobicContact CG-CD1 3.64Å; P33-L36 HydrophobicContact CG-CG 3.96Å; P33-L36 WeakPolarHBondContact O-CA 3.36Å; P33-L36 WeakPolarHBondContact O-CB 3.39Å; P33-L36 PolarHBondContact O-N 3.42Å; D34-L36 VanDerWaalsContact C-N 3.3Å; D34-L36 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-N 3.36Å; L36-W40 WeakPolarHBondContact O-CB 3.5Å; L36-W40 PolarHBondContact O-N 3.38Å
37	I	72.4	Confident	67.5	Low	54 Å²	54	90 Å²	90	28%	0.277	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-49.3	177	-61.3	176.4	0	0	0	110.4	I32 P33 D34 S39 W40 I41 T530	I32-I37 HydrophobicContact CB-CD1 4.23Å; I32-I37 HydrophobicContact CB-CG1 4.12Å; I32-I37 HydrophobicContact CG2-CD1 4.3Å; I32-I37 HydrophobicContact CG2-CG1 3.65Å; P33-I37 PolarHBondContact O-N 2.91Å; D34-I37 PolarHBondContact O-N 2.91Å; I37-S39 VanDerWaalsContact C-N 3.35Å; I37-S39 PolarHBondContact O-N 3.04Å; I37-W40 PolarHBondContact O-N 3.18Å; I37-I41 HydrophobicContact CG2-CD1 3.78Å; I37-I41 HydrophobicContact CG2-CG1 4.44Å; I37-I41 WeakPolarHBondContact O-CG1 3.33Å; I37-I41 PolarHBondContact O-N 3Å; I37-T530 HydrophobicContact CG2-CG2 4.22Å
38	K	71.1	Confident	69.5	Low	84 Å²	84	86.2 Å²	86.2	37%	0.365	49%	0.485	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.6	-76.3	-175.3	176.9	-171.6	0	111.4	D34 W40 I41 L42 N529	D34-K38 VanDerWaalsContact O-CB 3.31Å; D34-K38 WeakPolarHBondContact O-CB 3.5Å; D34-K38 WeakPolarHBondContact O-CG 3.41Å; D34-K38 PolarHBondContact O-N 2.77Å; K38-W40 VanDerWaalsContact C-N 3.32Å; K38-W40 PolarHBondContact O-N 3.36Å; K38-I41 PolarHBondContact O-N 3.03Å; K38-L42 WeakPolarHBondContact O-CB 3.04Å; K38-L42 PolarHBondContact O-N 2.85Å; K38-N529 VanDerWaalsContact CE-CB 3.47Å; K38-N529 PolarHBondContact NZ-ND2 2.89Å
39	S	71.6	Confident	71.8	Confident	70 Å²	70	89.6 Å²	89.6	49%	0.49	49%	0.489	S	S	.	.	H	α-helix	trans	-59.6	-44.4	176.4	-179	0	0	0	0	110.6	S35 L36 I37 L42 S43	S35-S39 WeakPolarHBondContact O-CA 3.38Å; S35-S39 WeakPolarHBondContact O-CB 3.47Å; S35-S39 PolarHBondContact O-N 3.45Å; L36-S39 PolarHBondContact O-N 3.36Å; I37-S39 VanDerWaalsContact C-N 3.35Å; I37-S39 PolarHBondContact O-N 3.04Å; S39-L42 PolarHBondContact O-N 2.95Å; S39-S43 WeakPolarHBondContact O-CA 3.21Å; S39-S43 WeakPolarHBondContact O-CB 3.46Å; S39-S43 PolarHBondContact O-N 3.37Å; S39-S43 PolarHBondContact O-OG 3.46Å
40	W	74	Confident	74.3	Confident	157 Å²	157	87.5 Å²	87.5	60%	0.595	47%	0.471	S	S	*	.	H	α-helix	trans	-66.2	-44.7	179.6	-167	81.1	0	0	0	112.8	L36 I37 K38 S43 N44 I47	L36-W40 WeakPolarHBondContact O-CB 3.5Å; L36-W40 PolarHBondContact O-N 3.38Å; I37-W40 PolarHBondContact O-N 3.18Å; K38-W40 VanDerWaalsContact C-N 3.32Å; K38-W40 PolarHBondContact O-N 3.36Å; W40-S43 WeakPolarHBondContact CA-OG 3.29Å; W40-S43 PolarHBondContact O-OG 2.96Å; W40-S43 VanDerWaalsContact O-OG 3.13Å; W40-N44 WeakPolarHBondContact O-CB 3.48Å; W40-N44 PolarHBondContact O-N 3.29Å; W40-I47 HydrophobicContact CE3-CD1 3.99Å; W40-I47 HydrophobicContact CH2-CD1 3.27Å; W40-I47 HydrophobicContact CZ2-CD1 4.07Å; W40-I47 HydrophobicContact CZ3-CD1 3.22Å
41	I	74.8	Confident	76.2	Confident	48 Å²	48	84.8 Å²	84.8	25%	0.246	45%	0.448	C	S	.	.	H	α-helix	trans	-64.6	-42.4	175.6	-67.2	170.5	0	0	0	111.1	I37 K38 I47 I51	I37-I41 HydrophobicContact CG2-CD1 3.78Å; I37-I41 HydrophobicContact CG2-CG1 4.44Å; I37-I41 WeakPolarHBondContact O-CG1 3.33Å; I37-I41 PolarHBondContact O-N 3Å; K38-I41 PolarHBondContact O-N 3.03Å; I41-I47 HydrophobicContact CG2-CG2 4.4Å; I41-I51 HydrophobicContact CG2-CD1 4.16Å
42	L	71.8	Confident	78	Confident	90 Å²	90	80.3 Å²	80.3	47%	0.471	42%	0.42	S	S	.	.	H	α-helix	trans	-75	-33.1	-177.7	-170.1	66.2	0	0	0	112.2	K38 S39 K48	K38-L42 WeakPolarHBondContact O-CB 3.04Å; K38-L42 PolarHBondContact O-N 2.85Å; S39-L42 PolarHBondContact O-N 2.95Å; L42-K48 HydrophobicContact CD1-CD 4.28Å
43	S	74.5	Confident	79.8	Confident	78 Å²	78	80.2 Å²	80.2	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-78.5	-25.2	178.7	59.9	0	0	0	0	112.9	S39 W40 P45	S39-S43 WeakPolarHBondContact O-CA 3.21Å; S39-S43 WeakPolarHBondContact O-CB 3.46Å; S39-S43 PolarHBondContact O-N 3.37Å; S39-S43 PolarHBondContact O-OG 3.46Å; W40-S43 WeakPolarHBondContact CA-OG 3.29Å; W40-S43 PolarHBondContact O-OG 2.96Å; W40-S43 VanDerWaalsContact O-OG 3.13Å; S43-P45 WeakPolarHBondContact O-CD 3.48Å
44	N	85.3	Confident	81.2	Confident	48 Å²	48	82 Å²	82	26%	0.257	42%	0.422	S	S	.	.			trans	-89.8	101.3	176.1	-163.4	-49.4	0	0	0	110.7	W40 I46 I47 K48	W40-N44 WeakPolarHBondContact O-CB 3.48Å; W40-N44 PolarHBondContact O-N 3.29Å; N44-I46 VanDerWaalsContact C-N 3.25Å; N44-I46 PolarHBondContact O-N 2.68Å; N44-I46 PolarHBondContact OD1-N 2.82Å; N44-I47 HydrophobicContact CB-CB 4.19Å; N44-I47 HydrophobicContact CB-CD1 3.93Å; N44-I47 HydrophobicContact CB-CG1 4.1Å; N44-I47 PolarHBondContact O-N 2.7Å; N44-I47 PolarHBondContact OD1-N 3.41Å; N44-K48 PolarHBondContact O-N 2.95Å; N44-K48 VanDerWaalsContact O-N 3.1Å
45	P	86	Confident	82.6	Confident	75 Å²	75	79.5 Å²	79.5	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-34.9	-174.8	26.1	-34.9	0	0	0	111.7	S43 I47 K48 W49	S43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-I47 PolarHBondContact O-N 3Å; P45-K48 PolarHBondContact O-N 2.71Å; P45-W49 WeakPolarHBondContact O-CB 2.88Å; P45-W49 PolarHBondContact O-N 2.92Å
46	I	89.7	Confident	83.9	Confident	124 Å²	124	80.1 Å²	80.1	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-63.7	-46.1	-178.5	-59.1	172.8	0	0	0	110	N44 W49 T50	N44-I46 VanDerWaalsContact C-N 3.25Å; N44-I46 PolarHBondContact O-N 2.68Å; N44-I46 PolarHBondContact OD1-N 2.82Å; I46-W49 PolarHBondContact O-N 3.25Å; I46-T50 HydrophobicContact CG2-CG2 4.37Å; I46-T50 WeakPolarHBondContact O-CB 3.23Å; I46-T50 VanDerWaalsContact O-CG2 3.24Å; I46-T50 WeakPolarHBondContact O-CG2 3.11Å; I46-T50 PolarHBondContact O-N 3.5Å; I46-T50 PolarHBondContact O-OG1 2.93Å
47	I	87.5	Confident	85.1	Confident	42 Å²	42	80 Å²	80	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-64.5	-44.7	178.7	-62.2	178.3	0	0	0	110.2	W40 I41 N44 P45 W49 T50 I51	W40-I47 HydrophobicContact CE3-CD1 3.99Å; W40-I47 HydrophobicContact CH2-CD1 3.27Å; W40-I47 HydrophobicContact CZ2-CD1 4.07Å; W40-I47 HydrophobicContact CZ3-CD1 3.22Å; I41-I47 HydrophobicContact CG2-CG2 4.4Å; N44-I47 HydrophobicContact CB-CB 4.19Å; N44-I47 HydrophobicContact CB-CD1 3.93Å; N44-I47 HydrophobicContact CB-CG1 4.1Å; N44-I47 PolarHBondContact O-N 2.7Å; N44-I47 PolarHBondContact OD1-N 3.41Å; P45-I47 PolarHBondContact O-N 3Å; I47-W49 PolarHBondContact O-N 2.77Å; I47-T50 VanDerWaalsContact CA-OG1 3.31Å; I47-T50 WeakPolarHBondContact CA-OG1 3.27Å; I47-T50 PolarHBondContact O-N 3Å; I47-T50 PolarHBondContact O-OG1 2.93Å; I47-I51 HydrophobicContact CG2-CD1 3.78Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CB 3.32Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.29Å; I47-I51 PolarHBondContact O-N 2.82Å
48	K	86.2	Confident	86.2	Confident	63 Å²	63	78.1 Å²	78.1	27%	0.274	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-46.4	176.1	-176	-178.9	179.9	169.6	0	112.7	L42 N44 P45 S52 N110	L42-K48 HydrophobicContact CD1-CD 4.28Å; N44-K48 PolarHBondContact O-N 2.95Å; N44-K48 VanDerWaalsContact O-N 3.1Å; P45-K48 PolarHBondContact O-N 2.71Å; K48-S52 WeakPolarHBondContact O-CB 3.27Å; K48-S52 PolarHBondContact O-N 3.39Å; K48-S52 PolarHBondContact O-OG 3.07Å; K48-N110 WeakPolarHBondContact CE-O 3.37Å; K48-N110 PolarHBondContact NZ-O 3.41Å
49	W	90.1	Very high	87.4	Confident	192 Å²	192	75 Å²	75	73%	0.727	38%	0.383	S	S	*	.	H	α-helix	trans	-65.7	-41.5	178.9	-80.5	116.4	0	0	0	112.3	P45 I46 I47 S52 L53	P45-W49 WeakPolarHBondContact O-CB 2.88Å; P45-W49 PolarHBondContact O-N 2.92Å; I46-W49 PolarHBondContact O-N 3.25Å; I47-W49 PolarHBondContact O-N 2.77Å; W49-S52 WeakPolarHBondContact O-CB 3.44Å; W49-S52 PolarHBondContact O-N 2.88Å; W49-L53 VanDerWaalsContact O-CB 3.3Å; W49-L53 WeakPolarHBondContact O-CB 3.44Å; W49-L53 PolarHBondContact O-N 2.99Å
50	T	92.4	Very high	88.6	Confident	78 Å²	78	72.8 Å²	72.8	48%	0.479	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-44.4	178	49.7	0	0	0	0	111.8	I46 I47 L53 F54	I46-T50 HydrophobicContact CG2-CG2 4.37Å; I46-T50 WeakPolarHBondContact O-CB 3.23Å; I46-T50 VanDerWaalsContact O-CG2 3.24Å; I46-T50 WeakPolarHBondContact O-CG2 3.11Å; I46-T50 PolarHBondContact O-N 3.5Å; I46-T50 PolarHBondContact O-OG1 2.93Å; I47-T50 VanDerWaalsContact CA-OG1 3.31Å; I47-T50 WeakPolarHBondContact CA-OG1 3.27Å; I47-T50 PolarHBondContact O-N 3Å; I47-T50 PolarHBondContact O-OG1 2.93Å; T50-L53 PolarHBondContact O-N 3.22Å; T50-F54 VanDerWaalsContact O-CB 3.28Å; T50-F54 WeakPolarHBondContact O-CB 3.34Å; T50-F54 PolarHBondContact O-N 3.36Å
51	I	91.1	Very high	89.6	Confident	55 Å²	55	67.5 Å²	67.5	28%	0.282	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-49.2	172.4	-67.4	168.9	0	0	0	110.1	I41 I47 L53 F54 L55 Q109	I41-I51 HydrophobicContact CG2-CD1 4.16Å; I47-I51 HydrophobicContact CG2-CD1 3.78Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CB 3.32Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.29Å; I47-I51 PolarHBondContact O-N 2.82Å; I51-L53 PolarHBondContact O-N 3.27Å; I51-F54 PolarHBondContact O-N 3Å; I51-L55 HydrophobicContact CG2-CD1 3.81Å; I51-L55 HydrophobicContact CG2-CG 4.25Å; I51-L55 VanDerWaalsContact O-CG 3.24Å; I51-L55 WeakPolarHBondContact O-CG 3.26Å; I51-L55 PolarHBondContact O-N 2.9Å; I51-Q109 HydrophobicContact CG2-CG 4.44Å
52	S	92.5	Very high	90.6	Very high	7 Å²	7	65.2 Å²	65.2	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-50.4	179.5	-61.3	0	0	0	0	112.4	K48 W49 F54 L55 I56 N110	K48-S52 WeakPolarHBondContact O-CB 3.27Å; K48-S52 PolarHBondContact O-N 3.39Å; K48-S52 PolarHBondContact O-OG 3.07Å; W49-S52 WeakPolarHBondContact O-CB 3.44Å; W49-S52 PolarHBondContact O-N 2.88Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.4Å; S52-L55 PolarHBondContact O-N 3.5Å; S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.22Å; S52-I56 PolarHBondContact O-N 2.9Å; S52-N110 PolarHBondContact OG-ND2 2.97Å; S52-N110 PolarHBondContact OG-OD1 2.98Å
53	L	95	Very high	91.9	Very high	105 Å²	105	64.4 Å²	64.4	55%	0.55	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-45.3	-179.4	177.4	61.7	0	0	0	110.9	W49 T50 I51 L55 I56 I57	W49-L53 VanDerWaalsContact O-CB 3.3Å; W49-L53 WeakPolarHBondContact O-CB 3.44Å; W49-L53 PolarHBondContact O-N 2.99Å; T50-L53 PolarHBondContact O-N 3.22Å; I51-L53 PolarHBondContact O-N 3.27Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.99Å; L53-I56 PolarHBondContact O-N 3.46Å; L53-I57 HydrophobicContact CD1-CD1 4.01Å; L53-I57 HydrophobicContact CD1-CG1 4.34Å; L53-I57 HydrophobicContact CG-CD1 3.94Å; L53-I57 VanDerWaalsContact O-CG1 3.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.13Å; L53-I57 PolarHBondContact O-N 3.32Å
54	F	95	Very high	92.9	Very high	106 Å²	106	67 Å²	67	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-45.6	176.6	171.9	-90.2	0	0	0	111.7	T50 I51 S52 I56 I57 A58 F541	T50-F54 VanDerWaalsContact O-CB 3.28Å; T50-F54 WeakPolarHBondContact O-CB 3.34Å; T50-F54 PolarHBondContact O-N 3.36Å; I51-F54 PolarHBondContact O-N 3Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-F54 PolarHBondContact O-N 3.4Å; F54-I56 PolarHBondContact O-N 3.29Å; F54-I57 PolarHBondContact O-N 3.34Å; F54-A58 WeakPolarHBondContact O-CB 3.43Å; F54-A58 PolarHBondContact O-N 2.88Å; F54-F541 AromaticContact CE1-CE1 3.68Å; F54-F541 HydrophobicContact CE1-CE1 3.68Å; F54-F541 HydrophobicContact CE1-CE2 4.42Å; F54-F541 AromaticContact CE1-CZ 3.29Å; F54-F541 HydrophobicContact CE1-CZ 3.29Å; F54-F541 AromaticContact CZ-CE1 3.41Å; F54-F541 HydrophobicContact CZ-CE1 3.41Å; F54-F541 VanDerWaalsContact CZ-CE1 3.41Å; F54-F541 AromaticContact CZ-CZ 3.36Å; F54-F541 HydrophobicContact CZ-CZ 3.36Å
55	L	94.7	Very high	93.4	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-34.6	179.1	-66.4	177.3	0	0	0	112.9	I51 S52 L53 T59 I106 Q109 W537	I51-L55 HydrophobicContact CG2-CD1 3.81Å; I51-L55 HydrophobicContact CG2-CG 4.25Å; I51-L55 VanDerWaalsContact O-CG 3.24Å; I51-L55 WeakPolarHBondContact O-CG 3.26Å; I51-L55 PolarHBondContact O-N 2.9Å; S52-L55 PolarHBondContact O-N 3.5Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.99Å; L55-T59 WeakPolarHBondContact O-CB 3.26Å; L55-T59 PolarHBondContact O-N 3.5Å; L55-T59 PolarHBondContact O-OG1 3.26Å; L55-I106 HydrophobicContact CB-CD1 4.06Å; L55-I106 HydrophobicContact CB-CG1 3.96Å; L55-Q109 HydrophobicContact CD1-CB 4.49Å; L55-Q109 HydrophobicContact CD1-CG 3.89Å; L55-W537 HydrophobicContact CB-CH2 4.36Å; L55-W537 HydrophobicContact CD1-CD2 4.39Å; L55-W537 HydrophobicContact CD1-CH2 3.73Å; L55-W537 HydrophobicContact CD1-CZ2 3.44Å; L55-W537 VanDerWaalsContact CD1-CZ2 3.44Å; L55-W537 HydrophobicContact CD1-CZ3 4.29Å; L55-W537 HydrophobicContact CD2-CD2 3.73Å; L55-W537 HydrophobicContact CD2-CE3 3.4Å; L55-W537 VanDerWaalsContact CD2-CE3 3.4Å; L55-W537 HydrophobicContact CD2-CH2 3.82Å; L55-W537 HydrophobicContact CD2-CZ2 4.08Å; L55-W537 HydrophobicContact CD2-CZ3 3.47Å; L55-W537 VanDerWaalsContact CD2-CZ3 3.47Å; L55-W537 HydrophobicContact CG-CH2 4.17Å; L55-W537 HydrophobicContact CG-CZ2 4.3Å; L55-W537 HydrophobicContact CG-CZ3 4.29Å
56	I	95.9	Very high	94	Very high	97 Å²	97	61.5 Å²	61.5	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-47	173.9	-69.4	165	0	0	0	110.4	S52 L53 F54 A58 T59 G60 I106	S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.22Å; S52-I56 PolarHBondContact O-N 2.9Å; L53-I56 PolarHBondContact O-N 3.46Å; F54-I56 PolarHBondContact O-N 3.29Å; I56-A58 VanDerWaalsContact C-N 3.33Å; I56-A58 PolarHBondContact O-N 3.4Å; I56-T59 PolarHBondContact O-N 3.29Å; I56-G60 PolarHBondContact O-N 2.99Å; I56-I106 HydrophobicContact CG1-CD1 4.24Å
57	I	96	Very high	94.3	Very high	100 Å²	100	58.2 Å²	58.2	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.9	-67.6	167.8	0	0	0	110.6	L53 F54 G60 T61	L53-I57 HydrophobicContact CD1-CD1 4.01Å; L53-I57 HydrophobicContact CD1-CG1 4.34Å; L53-I57 HydrophobicContact CG-CD1 3.94Å; L53-I57 VanDerWaalsContact O-CG1 3.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.13Å; L53-I57 PolarHBondContact O-N 3.32Å; F54-I57 PolarHBondContact O-N 3.34Å; I57-G60 PolarHBondContact O-N 2.94Å; I57-T61 WeakPolarHBondContact O-CB 3.46Å; I57-T61 PolarHBondContact O-N 3.49Å; I57-T61 PolarHBondContact O-OG1 3.03Å
58	A	95.2	Very high	94.8	Very high	14 Å²	14	58.1 Å²	58.1	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-48.8	175.9	0	0	0	0	0	111.2	F54 I56 T61 T62 I544	F54-A58 WeakPolarHBondContact O-CB 3.43Å; F54-A58 PolarHBondContact O-N 2.88Å; I56-A58 VanDerWaalsContact C-N 3.33Å; I56-A58 PolarHBondContact O-N 3.4Å; A58-T61 WeakPolarHBondContact O-CB 3.34Å; A58-T61 PolarHBondContact O-N 2.93Å; A58-T62 PolarHBondContact O-N 3.46Å; A58-T62 PolarHBondContact O-OG1 2.9Å; A58-T62 VanDerWaalsContact O-OG1 3.09Å; A58-I544 HydrophobicContact CB-CD1 3.58Å
59	T	95.9	Very high	95.2	Very high	19 Å²	19	55.1 Å²	55.1	12%	0.117	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-43.9	177.1	-60.4	0	0	0	0	112.1	L55 I56 T61 T62 F63 L102 I106	L55-T59 WeakPolarHBondContact O-CB 3.26Å; L55-T59 PolarHBondContact O-N 3.5Å; L55-T59 PolarHBondContact O-OG1 3.26Å; I56-T59 PolarHBondContact O-N 3.29Å; T59-T61 VanDerWaalsContact C-N 3.33Å; T59-T61 PolarHBondContact O-N 3.37Å; T59-T62 WeakPolarHBondContact O-CB 3.48Å; T59-T62 PolarHBondContact O-N 2.89Å; T59-F63 PolarHBondContact O-N 3.42Å; T59-L102 HydrophobicContact CG2-CB 3.77Å; T59-L102 HydrophobicContact CG2-CD1 3.96Å; T59-L102 HydrophobicContact CG2-CG 4.5Å; T59-I106 WeakPolarHBondContact OG1-CD1 3.29Å
60	G	96.4	Very high	95.6	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-40.5	174.8	0	0	0	0	0	112.3	I56 I57 F63 F64	I56-G60 PolarHBondContact O-N 2.99Å; I57-G60 PolarHBondContact O-N 2.94Å; G60-F63 PolarHBondContact O-N 3.34Å; G60-F64 WeakPolarHBondContact O-CB 3.41Å; G60-F64 WeakPolarHBondContact O-CD2 3.46Å; G60-F64 PolarHBondContact O-N 3.29Å
61	T	95.5	Very high	95.8	Very high	46 Å²	46	46.7 Å²	46.7	28%	0.282	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-41.8	175.9	-56.4	0	0	0	0	111.4	I57 A58 T59 G65 I544 F548	I57-T61 WeakPolarHBondContact O-CB 3.46Å; I57-T61 PolarHBondContact O-N 3.49Å; I57-T61 PolarHBondContact O-OG1 3.03Å; A58-T61 WeakPolarHBondContact O-CB 3.34Å; A58-T61 PolarHBondContact O-N 2.93Å; T59-T61 VanDerWaalsContact C-N 3.33Å; T59-T61 PolarHBondContact O-N 3.37Å; T61-G65 WeakPolarHBondContact O-CA 3.39Å; T61-G65 PolarHBondContact O-N 3.5Å; T61-I544 HydrophobicContact CG2-CG2 4.09Å; T61-F548 HydrophobicContact CG2-CE2 3.82Å; T61-F548 HydrophobicContact CG2-CZ 3.93Å
62	T	96.4	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-50.2	172.7	-55.2	0	0	0	0	111	A58 T59 N66 D94 I544	A58-T62 PolarHBondContact O-N 3.46Å; A58-T62 PolarHBondContact O-OG1 2.9Å; A58-T62 VanDerWaalsContact O-OG1 3.09Å; T59-T62 WeakPolarHBondContact O-CB 3.48Å; T59-T62 PolarHBondContact O-N 2.89Å; T62-N66 WeakPolarHBondContact O-CB 3.44Å; T62-N66 PolarHBondContact O-N 2.95Å; T62-N66 VanDerWaalsContact O-N 3.08Å; T62-N66 PolarHBondContact O-ND2 3.06Å; T62-D94 WeakPolarHBondContact CG2-O 3.37Å; T62-I544 WeakPolarHBondContact OG1-CG1 3.39Å
63	F	97.9	Very high	96.1	Very high	72 Å²	72	45.5 Å²	45.5	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-58.9	-178.2	-179.5	-91.3	0	0	0	111.7	T59 G60 G65 L67 L95 V99	T59-F63 PolarHBondContact O-N 3.42Å; G60-F63 PolarHBondContact O-N 3.34Å; F63-G65 PolarHBondContact O-N 2.94Å; F63-L67 HydrophobicContact CE1-CD2 4.14Å; F63-L67 VanDerWaalsContact O-CB 3.23Å; F63-L67 WeakPolarHBondContact O-CB 3.17Å; F63-L67 PolarHBondContact O-N 3.37Å; F63-L95 HydrophobicContact CD2-CG 4.37Å; F63-V99 HydrophobicContact CD2-CG2 3.94Å; F63-V99 HydrophobicContact CE2-CG2 3.87Å
64	F	96.7	Very high	96.1	Very high	132 Å²	132	45.6 Å²	45.6	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-68.9	-37.1	-176.1	-71.1	-65.1	0	0	0	112.4	G60 L67 L68	G60-F64 WeakPolarHBondContact O-CB 3.41Å; G60-F64 WeakPolarHBondContact O-CD2 3.46Å; G60-F64 PolarHBondContact O-N 3.29Å; F64-L67 PolarHBondContact O-N 2.94Å; F64-L68 WeakPolarHBondContact O-CB 3.47Å; F64-L68 VanDerWaalsContact O-CG 3.26Å; F64-L68 WeakPolarHBondContact O-CG 3.37Å; F64-L68 PolarHBondContact O-N 3.3Å
65	G	96.4	Very high	95.9	Very high	9 Å²	9	44.4 Å²	44.4	9%	0.093	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-45.1	179.1	0	0	0	0	0	112.5	T61 F63 L68 I69	T61-G65 WeakPolarHBondContact O-CA 3.39Å; T61-G65 PolarHBondContact O-N 3.5Å; F63-G65 PolarHBondContact O-N 2.94Å; G65-L68 WeakPolarHBondContact O-CB 3.49Å; G65-L68 PolarHBondContact O-N 3.48Å; G65-I69 PolarHBondContact O-N 2.96Å
66	N	97.2	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74.1	-32.7	177.6	-70.3	-66.6	0	0	0	112	T62 L68 I69 I70 A91 D94 L95 S543	T62-N66 WeakPolarHBondContact O-CB 3.44Å; T62-N66 PolarHBondContact O-N 2.95Å; T62-N66 VanDerWaalsContact O-N 3.08Å; T62-N66 PolarHBondContact O-ND2 3.06Å; N66-L68 VanDerWaalsContact C-N 3.33Å; N66-L68 PolarHBondContact O-N 2.93Å; N66-I69 WeakPolarHBondContact O-CB 3.48Å; N66-I69 PolarHBondContact O-N 3.46Å; N66-I70 WeakPolarHBondContact O-CG1 3.35Å; N66-I70 PolarHBondContact O-N 3.2Å; N66-A91 HydrophobicContact CB-CB 4.23Å; N66-D94 HydrophobicContact CB-CB 4.49Å; N66-L95 HydrophobicContact CB-CB 4.2Å; N66-S543 PolarHBondContact ND2-O 3.46Å; N66-S543 VanDerWaalsContact ND2-O 3.08Å
67	L	97.3	Very high	95.5	Very high	55 Å²	55	45 Å²	45	29%	0.288	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-42	169.4	-178.4	61.3	0	0	0	111.6	F63 F64 I69 I70 L71 L95	F63-L67 HydrophobicContact CE1-CD2 4.14Å; F63-L67 VanDerWaalsContact O-CB 3.23Å; F63-L67 WeakPolarHBondContact O-CB 3.17Å; F63-L67 PolarHBondContact O-N 3.37Å; F64-L67 PolarHBondContact O-N 2.94Å; L67-I69 VanDerWaalsContact C-N 3.32Å; L67-I69 PolarHBondContact O-N 3.49Å; L67-I70 PolarHBondContact O-N 3.44Å; L67-L71 HydrophobicContact CD1-CD1 4.37Å; L67-L71 HydrophobicContact CD1-CG 4.2Å; L67-L71 HydrophobicContact CG-CD1 3.96Å; L67-L71 HydrophobicContact CG-CG 4.24Å; L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 VanDerWaalsContact O-CG 3.32Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 2.87Å; L67-L95 HydrophobicContact CB-CD1 3.96Å; L67-L95 HydrophobicContact CD1-CD1 4.34Å
68	L	96.3	Very high	95.1	Very high	40 Å²	40	47 Å²	47	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-37.4	176	-77.5	170.8	0	0	0	112.6	F64 G65 N66 A72 F561 I564 I565	F64-L68 WeakPolarHBondContact O-CB 3.47Å; F64-L68 VanDerWaalsContact O-CG 3.26Å; F64-L68 WeakPolarHBondContact O-CG 3.37Å; F64-L68 PolarHBondContact O-N 3.3Å; G65-L68 WeakPolarHBondContact O-CB 3.49Å; G65-L68 PolarHBondContact O-N 3.48Å; N66-L68 VanDerWaalsContact C-N 3.33Å; N66-L68 PolarHBondContact O-N 2.93Å; L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.09Å; L68-F561 HydrophobicContact CB-CD1 4.12Å; L68-F561 HydrophobicContact CB-CE1 4.02Å; L68-F561 WeakPolarHBondContact O-CE1 3.42Å; L68-I564 HydrophobicContact CD2-CG2 3.91Å; L68-I565 HydrophobicContact CD1-CD1 4.4Å; L68-I565 HydrophobicContact CD2-CG1 4.41Å
69	I	96.4	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-48	174.2	-65.1	168.7	0	0	0	110.2	G65 N66 L67 A72 F73 I87 A91 P547 Y550 Y557 F561	G65-I69 PolarHBondContact O-N 2.96Å; N66-I69 WeakPolarHBondContact O-CB 3.48Å; N66-I69 PolarHBondContact O-N 3.46Å; L67-I69 VanDerWaalsContact C-N 3.32Å; L67-I69 PolarHBondContact O-N 3.49Å; I69-A72 PolarHBondContact O-N 3.13Å; I69-F73 PolarHBondContact O-N 3.03Å; I69-F73 VanDerWaalsContact O-N 3.12Å; I69-I87 HydrophobicContact CG2-CG2 3.89Å; I69-A91 HydrophobicContact CB-CB 3.96Å; I69-A91 HydrophobicContact CD1-CB 4.11Å; I69-A91 HydrophobicContact CG2-CB 3.75Å; I69-P547 HydrophobicContact CD1-CG 4.12Å; I69-Y550 HydrophobicContact CD1-CD2 3.65Å; I69-Y550 HydrophobicContact CD1-CE2 4.03Å; I69-Y550 HydrophobicContact CG1-CD2 4.31Å; I69-Y557 HydrophobicContact CG2-CE1 3.89Å; I69-F561 HydrophobicContact CG1-CE1 4.44Å; I69-F561 HydrophobicContact CG1-CZ 3.89Å
70	I	97.2	Very high	94.7	Very high	29 Å²	29	51.4 Å²	51.4	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-49	180	-62.1	165.6	0	0	0	110.3	N66 L67 A72 F73 I74 V88 A91 V92 L95	N66-I70 WeakPolarHBondContact O-CG1 3.35Å; N66-I70 PolarHBondContact O-N 3.2Å; L67-I70 PolarHBondContact O-N 3.44Å; I70-A72 VanDerWaalsContact C-N 3.33Å; I70-A72 PolarHBondContact O-N 3.37Å; I70-F73 WeakPolarHBondContact O-CB 3.47Å; I70-F73 PolarHBondContact O-N 3.42Å; I70-F73 VanDerWaalsContact O-N 3.17Å; I70-I74 HydrophobicContact CG2-CD1 3.86Å; I70-I74 WeakPolarHBondContact O-CG1 3.3Å; I70-I74 PolarHBondContact O-N 3.15Å; I70-V88 HydrophobicContact CG1-CG1 4.32Å; I70-A91 HydrophobicContact CG1-CB 4.2Å; I70-V92 HydrophobicContact CD1-CG2 3.87Å; I70-V92 HydrophobicContact CG1-CG2 4.35Å; I70-L95 HydrophobicContact CD1-CD1 4.03Å
71	L	96	Very high	94.3	Very high	63 Å²	63	53 Å²	53	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-39.7	177.9	-68.9	176.6	0	0	0	112	L67 F73 I74 T75 I564	L67-L71 HydrophobicContact CD1-CD1 4.37Å; L67-L71 HydrophobicContact CD1-CG 4.2Å; L67-L71 HydrophobicContact CG-CD1 3.96Å; L67-L71 HydrophobicContact CG-CG 4.24Å; L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 VanDerWaalsContact O-CG 3.32Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 2.87Å; L71-F73 VanDerWaalsContact C-N 3.31Å; L71-F73 PolarHBondContact O-N 3.28Å; L71-I74 PolarHBondContact O-N 3.03Å; L71-T75 WeakPolarHBondContact O-CB 3.33Å; L71-T75 VanDerWaalsContact O-CG2 3.27Å; L71-T75 WeakPolarHBondContact O-CG2 3.4Å; L71-T75 PolarHBondContact O-N 3.28Å; L71-T75 PolarHBondContact O-OG1 3.4Å; L71-I564 HydrophobicContact CB-CD1 4.02Å
72	A	95.5	Very high	94.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-39.8	175.9	0	0	0	0	0	112	L68 I69 I70 N76 L79 Y557 F561 I564	L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.09Å; I69-A72 PolarHBondContact O-N 3.13Å; I70-A72 VanDerWaalsContact C-N 3.33Å; I70-A72 PolarHBondContact O-N 3.37Å; A72-N76 VanDerWaalsContact O-CB 3.24Å; A72-N76 WeakPolarHBondContact O-CB 3.45Å; A72-N76 PolarHBondContact O-N 3.07Å; A72-L79 HydrophobicContact CB-CD1 3.81Å; A72-Y557 HydrophobicContact CB-CD1 4.11Å; A72-Y557 HydrophobicContact CB-CE1 4.28Å; A72-F561 HydrophobicContact CB-CD1 3.99Å; A72-F561 HydrophobicContact CB-CE1 3.76Å; A72-I564 HydrophobicContact CB-CD1 4.05Å
73	F	94.9	Very high	93.7	Very high	38 Å²	38	52.7 Å²	52.7	17%	0.167	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-42.6	175.7	177.5	-95.1	0	0	0	112.8	I69 I70 L71 L79 R80 D84 Q85 V88	I69-F73 PolarHBondContact O-N 3.03Å; I69-F73 VanDerWaalsContact O-N 3.12Å; I70-F73 WeakPolarHBondContact O-CB 3.47Å; I70-F73 PolarHBondContact O-N 3.42Å; I70-F73 VanDerWaalsContact O-N 3.17Å; L71-F73 VanDerWaalsContact C-N 3.31Å; L71-F73 PolarHBondContact O-N 3.28Å; F73-L79 VanDerWaalsContact CD2-O 3.32Å; F73-L79 WeakPolarHBondContact CD2-O 3.29Å; F73-R80 HydrophobicContact CE2-CB 4.39Å; F73-R80 HydrophobicContact CE2-CG 4.42Å; F73-R80 HydrophobicContact CZ-CB 4.46Å; F73-R80 HydrophobicContact CZ-CG 4.37Å; F73-R80 WeakPolarHBondContact O-CG 3.08Å; F73-D84 HydrophobicContact CD2-CB 3.94Å; F73-D84 HydrophobicContact CE2-CB 4.04Å; F73-Q85 HydrophobicContact CE2-CG 4.1Å; F73-Q85 HydrophobicContact CZ-CG 3.86Å; F73-V88 HydrophobicContact CB-CG2 3.4Å; F73-V88 VanDerWaalsContact CB-CG2 3.4Å; F73-V88 HydrophobicContact CD1-CG2 3.99Å; F73-V88 HydrophobicContact CD2-CG2 3.68Å; F73-V88 HydrophobicContact CE2-CG2 4.4Å; F73-V88 HydrophobicContact CG-CG2 3.44Å; F73-V88 VanDerWaalsContact CG-CG2 3.44Å
74	I	94.5	Very high	93.5	Very high	106 Å²	106	49.2 Å²	49.2	54%	0.544	24%	0.241	S	C	.	.	H	α-helix	trans	-68.6	-45.6	-178.8	-64.9	167.7	0	0	0	110.9	I70 L71	I70-I74 HydrophobicContact CG2-CD1 3.86Å; I70-I74 WeakPolarHBondContact O-CG1 3.3Å; I70-I74 PolarHBondContact O-N 3.15Å; L71-I74 PolarHBondContact O-N 3.03Å
75	T	92.3	Very high	93.4	Very high	81 Å²	81	44.7 Å²	44.7	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-79.4	-37	-173.3	56.9	0	0	0	0	113.1	L71	L71-T75 WeakPolarHBondContact O-CB 3.33Å; L71-T75 VanDerWaalsContact O-CG2 3.27Å; L71-T75 WeakPolarHBondContact O-CG2 3.4Å; L71-T75 PolarHBondContact O-N 3.28Å; L71-T75 PolarHBondContact O-OG1 3.4Å
76	N	91.6	Very high	93.3	Very high	37 Å²	37	44.5 Å²	44.5	20%	0.198	22%	0.218	C	C	.	.			trans	-97.5	108.6	-175.3	-169.2	-15.6	0	0	0	111.8	A72 R78 L79 S560	A72-N76 VanDerWaalsContact O-CB 3.24Å; A72-N76 WeakPolarHBondContact O-CB 3.45Å; A72-N76 PolarHBondContact O-N 3.07Å; N76-R78 PolarHBondContact O-N 3.13Å; N76-R78 VanDerWaalsContact O-N 3.08Å; N76-R78 VanDerWaalsContact OD1-CB 3.25Å; N76-R78 WeakPolarHBondContact OD1-CB 3.41Å; N76-R78 WeakPolarHBondContact OD1-CG 3.39Å; N76-R78 PolarHBondContact OD1-N 3.14Å; N76-L79 HydrophobicContact CB-CB 4.29Å; N76-L79 HydrophobicContact CB-CD1 4.14Å; N76-L79 HydrophobicContact CB-CG 4.15Å; N76-L79 PolarHBondContact O-N 2.93Å; N76-S560 PolarHBondContact ND2-OG 3.09Å
77	S	89.3	Confident	93.3	Very high	80 Å²	80	44.7 Å²	44.7	56%	0.559	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-56.1	-28.1	176.6	64.2	0	0	0	0	114	L79 R80	S77-L79 VanDerWaalsContact C-N 3.3Å; S77-L79 PolarHBondContact O-N 3.22Å; S77-R80 PolarHBondContact O-N 3.45Å
78	R	88.7	Confident	93.2	Very high	143 Å²	143	43.1 Å²	43.1	54%	0.54	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-71.1	-22.9	176.3	-55.5	-173.2	-175.3	-147.8	1.3	113.4	N76 E338	N76-R78 PolarHBondContact O-N 3.13Å; N76-R78 VanDerWaalsContact O-N 3.08Å; N76-R78 VanDerWaalsContact OD1-CB 3.25Å; N76-R78 WeakPolarHBondContact OD1-CB 3.41Å; N76-R78 WeakPolarHBondContact OD1-CG 3.39Å; N76-R78 PolarHBondContact OD1-N 3.14Å; R78-E338 IonicContact CZ-OE2 2.98Å; R78-E338 IonicContact NH1-OE1 3.66Å; R78-E338 PolarHBondContact NH1-OE1 3.35Å; R78-E338 IonicContact NH1-OE2 2.78Å; R78-E338 PolarHBondContact NH1-OE2 3.19Å
79	L	90.1	Very high	93.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-89.8	-9.4	177.4	-70.3	-179.1	0	0	0	113.1	A72 F73 N76 S77 R81 D84 E556 Y557 S560	A72-L79 HydrophobicContact CB-CD1 3.81Å; F73-L79 VanDerWaalsContact CD2-O 3.32Å; F73-L79 WeakPolarHBondContact CD2-O 3.29Å; N76-L79 HydrophobicContact CB-CB 4.29Å; N76-L79 HydrophobicContact CB-CD1 4.14Å; N76-L79 HydrophobicContact CB-CG 4.15Å; N76-L79 PolarHBondContact O-N 2.93Å; S77-L79 VanDerWaalsContact C-N 3.3Å; S77-L79 PolarHBondContact O-N 3.22Å; L79-R81 PolarHBondContact O-N 2.8Å; L79-D84 WeakPolarHBondContact O-CB 3.4Å; L79-D84 VanDerWaalsContact O-CG 3.27Å; L79-E556 HydrophobicContact CD2-CB 3.62Å; L79-Y557 HydrophobicContact CD1-CD1 4.02Å; L79-Y557 HydrophobicContact CD1-CD2 4.33Å; L79-Y557 HydrophobicContact CD1-CE1 4.01Å; L79-Y557 HydrophobicContact CD1-CE2 4.34Å; L79-Y557 HydrophobicContact CD1-CG 4.2Å; L79-Y557 HydrophobicContact CD2-CD2 3.8Å; L79-Y557 HydrophobicContact CD2-CE2 3.67Å; L79-Y557 HydrophobicContact CD2-CG 4.44Å; L79-S560 VanDerWaalsContact CD1-OG 3.29Å; L79-S560 WeakPolarHBondContact CD1-OG 3.47Å
80	R	91.3	Very high	93.3	Very high	124 Å²	124	41.7 Å²	41.7	47%	0.468	21%	0.205	S	C	.	.			trans	-76.5	39.6	179.6	-62	-174.1	-58	-174.8	-2.8	114.2	F73 S77 R163	F73-R80 HydrophobicContact CE2-CB 4.39Å; F73-R80 HydrophobicContact CE2-CG 4.42Å; F73-R80 HydrophobicContact CZ-CB 4.46Å; F73-R80 HydrophobicContact CZ-CG 4.37Å; F73-R80 WeakPolarHBondContact O-CG 3.08Å; S77-R80 PolarHBondContact O-N 3.45Å; R80-R163 PolarHBondContact O-NH2 3.3Å; R80-R163 VanDerWaalsContact O-NH2 3.09Å
81	R	89.3	Confident	93.3	Very high	58 Å²	58	40.4 Å²	40.4	22%	0.219	20%	0.198	C	C	.	.	S	Bend	trans	-86.6	156.6	176.2	-57.2	174	-65.9	-153.9	-5.9	110	L79 T83 D84 Q85 E556	L79-R81 PolarHBondContact O-N 2.8Å; R81-T83 VanDerWaalsContact C-N 3.3Å; R81-T83 PolarHBondContact O-N 3.5Å; R81-D84 WeakPolarHBondContact CB-OD2 3.46Å; R81-D84 IonicContact CZ-OD2 3.78Å; R81-D84 IonicContact NE-OD2 2.95Å; R81-D84 PolarHBondContact NE-OD2 3.31Å; R81-D84 IonicContact NH2-OD1 3.15Å; R81-D84 IonicContact NH2-OD2 3.69Å; R81-D84 PolarHBondContact NH2-OD2 3.4Å; R81-D84 WeakPolarHBondContact O-CB 3.24Å; R81-D84 PolarHBondContact O-N 3.18Å; R81-Q85 PolarHBondContact O-N 3.27Å; R81-E556 IonicContact CZ-OE1 3.03Å; R81-E556 IonicContact NH1-OE1 3.21Å; R81-E556 PolarHBondContact NH1-OE1 2.94Å; R81-E556 IonicContact NH2-OE1 3.64Å
82	I	90.1	Very high	93.4	Very high	21 Å²	21	39.9 Å²	39.9	11%	0.108	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-40.5	-178	-58.2	170.1	0	0	0	111.6	D84 Q85 R161 R163 A166	I82-D84 PolarHBondContact O-N 3.05Å; I82-Q85 WeakPolarHBondContact O-CB 3.46Å; I82-Q85 PolarHBondContact O-N 3.25Å; I82-R161 HydrophobicContact CB-CG 4.41Å; I82-R161 HydrophobicContact CD1-CG 3.78Å; I82-R161 HydrophobicContact CG2-CG 3.93Å; I82-R163 HydrophobicContact CD1-CG 4.36Å; I82-R163 HydrophobicContact CG1-CG 3.84Å; I82-A166 HydrophobicContact CG2-CB 3.44Å; I82-A166 VanDerWaalsContact CG2-CB 3.44Å
83	T	89.4	Confident	93.5	Very high	18 Å²	18	39.9 Å²	39.9	11%	0.11	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-33.7	175.3	44.5	0	0	0	0	113.7	R81 Q85	R81-T83 VanDerWaalsContact C-N 3.3Å; R81-T83 PolarHBondContact O-N 3.5Å; T83-Q85 VanDerWaalsContact C-N 3.31Å
84	D	92.6	Very high	93.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-78	-20.7	-176.6	-71.2	-63.3	0	0	0	111.3	F73 L79 R81 I82 Y86 I87 V88 K554 Y557	F73-D84 HydrophobicContact CD2-CB 3.94Å; F73-D84 HydrophobicContact CE2-CB 4.04Å; L79-D84 WeakPolarHBondContact O-CB 3.4Å; L79-D84 VanDerWaalsContact O-CG 3.27Å; R81-D84 WeakPolarHBondContact CB-OD2 3.46Å; R81-D84 IonicContact CZ-OD2 3.78Å; R81-D84 IonicContact NE-OD2 2.95Å; R81-D84 PolarHBondContact NE-OD2 3.31Å; R81-D84 IonicContact NH2-OD1 3.15Å; R81-D84 IonicContact NH2-OD2 3.69Å; R81-D84 PolarHBondContact NH2-OD2 3.4Å; R81-D84 WeakPolarHBondContact O-CB 3.24Å; R81-D84 PolarHBondContact O-N 3.18Å; I82-D84 PolarHBondContact O-N 3.05Å; D84-Y86 VanDerWaalsContact C-N 3.32Å; D84-Y86 PolarHBondContact O-N 3.11Å; D84-I87 PolarHBondContact O-N 2.83Å; D84-V88 WeakPolarHBondContact O-CG2 3.49Å; D84-V88 PolarHBondContact O-N 3.33Å; D84-K554 IonicContact OD1-NZ 3.31Å; D84-K554 PolarHBondContact OD1-NZ 3.31Å; D84-K554 IonicContact OD2-NZ 3.82Å; D84-Y557 VanDerWaalsContact OD1-CE2 3.23Å; D84-Y557 WeakPolarHBondContact OD1-CE2 3.24Å; D84-Y557 PolarHBondContact OD1-OH 2.85Å; D84-Y557 VanDerWaalsContact OD1-OH 3.04Å
85	Q	94.6	Very high	93.8	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-39.6	172.4	-65.9	-179.6	-39.9	0	0	112	F73 R81 I82 T83 V88 S89 I170	F73-Q85 HydrophobicContact CE2-CG 4.1Å; F73-Q85 HydrophobicContact CZ-CG 3.86Å; R81-Q85 PolarHBondContact O-N 3.27Å; I82-Q85 WeakPolarHBondContact O-CB 3.46Å; I82-Q85 PolarHBondContact O-N 3.25Å; T83-Q85 VanDerWaalsContact C-N 3.31Å; Q85-V88 PolarHBondContact O-N 3.43Å; Q85-S89 PolarHBondContact O-N 2.99Å; Q85-I170 HydrophobicContact CB-CD1 4.08Å
86	Y	95.5	Very high	94	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-38.6	175.9	-58	-65.7	0	0	0	112.5	D84 V88 S89 L90 C142 I143 D146 A166 M169 I170	D84-Y86 VanDerWaalsContact C-N 3.32Å; D84-Y86 PolarHBondContact O-N 3.11Å; Y86-V88 VanDerWaalsContact C-N 3.33Å; Y86-S89 PolarHBondContact O-N 2.91Å; Y86-L90 PolarHBondContact O-N 3.08Å; Y86-C142 HydrophobicContact CD1-CB 3.93Å; Y86-C142 HydrophobicContact CE1-CB 3.98Å; Y86-I143 HydrophobicContact CG-CG1 4.29Å; Y86-D146 HydrophobicContact CD2-CB 4.39Å; Y86-D146 HydrophobicContact CE2-CB 3.77Å; Y86-A166 HydrophobicContact CE1-CB 4.08Å; Y86-A166 HydrophobicContact CE2-CB 4.25Å; Y86-A166 WeakPolarHBondContact OH-CA 3.22Å; Y86-A166 WeakPolarHBondContact OH-CB 3.36Å; Y86-M169 HydrophobicContact CE1-CB 4.15Å; Y86-M169 HydrophobicContact CE1-CE 4.31Å; Y86-M169 PolarHBondContact OH-SD 3.01Å; Y86-M169 VanDerWaalsContact OH-SD 3.37Å; Y86-I170 HydrophobicContact CD1-CD1 3.88Å; Y86-I170 HydrophobicContact CD1-CG1 3.66Å; Y86-I170 HydrophobicContact CE1-CD1 4.27Å; Y86-I170 HydrophobicContact CE1-CG1 3.97Å
87	I	95.5	Very high	94.3	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-42.1	176.8	-65.4	172.4	0	0	0	110.2	I69 D84 L90 A91 L499 Y550	I69-I87 HydrophobicContact CG2-CG2 3.89Å; D84-I87 PolarHBondContact O-N 2.83Å; I87-L90 PolarHBondContact O-N 3.48Å; I87-A91 PolarHBondContact O-N 2.96Å; I87-L499 HydrophobicContact CD1-CD2 4.3Å; I87-L499 HydrophobicContact CG1-CD2 4.32Å; I87-Y550 HydrophobicContact CD1-CD1 4.43Å; I87-Y550 HydrophobicContact CD1-CE1 3.8Å; I87-Y550 HydrophobicContact CG1-CE1 4.11Å; I87-Y550 HydrophobicContact CG2-CD1 4.46Å; I87-Y550 HydrophobicContact CG2-CD2 4.22Å; I87-Y550 HydrophobicContact CG2-CE1 3.93Å; I87-Y550 HydrophobicContact CG2-CE2 3.66Å; I87-Y550 VanDerWaalsContact CG2-CZ 3.5Å
88	V	96.8	Very high	94.7	Very high	22 Å²	22	28.2 Å²	28.2	13%	0.133	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-43.1	176.2	172.5	0	0	0	0	111.4	I70 F73 D84 Q85 Y86 L90 A91 V92	I70-V88 HydrophobicContact CG1-CG1 4.32Å; F73-V88 HydrophobicContact CB-CG2 3.4Å; F73-V88 VanDerWaalsContact CB-CG2 3.4Å; F73-V88 HydrophobicContact CD1-CG2 3.99Å; F73-V88 HydrophobicContact CD2-CG2 3.68Å; F73-V88 HydrophobicContact CE2-CG2 4.4Å; F73-V88 HydrophobicContact CG-CG2 3.44Å; F73-V88 VanDerWaalsContact CG-CG2 3.44Å; D84-V88 WeakPolarHBondContact O-CG2 3.49Å; D84-V88 PolarHBondContact O-N 3.33Å; Q85-V88 PolarHBondContact O-N 3.43Å; Y86-V88 VanDerWaalsContact C-N 3.33Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 2.85Å; V88-A91 WeakPolarHBondContact O-CB 3.26Å; V88-A91 PolarHBondContact O-N 3.16Å; V88-A91 VanDerWaalsContact O-N 3.13Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 3.21Å
89	S	97.7	Very high	95.1	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.063	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-42.6	175.9	-178.1	0	0	0	0	112	Q85 Y86 V92 A93 N139 I170 W174	Q85-S89 PolarHBondContact O-N 2.99Å; Y86-S89 PolarHBondContact O-N 2.91Å; S89-V92 PolarHBondContact O-N 2.96Å; S89-A93 PolarHBondContact O-N 3.14Å; S89-N139 WeakPolarHBondContact CB-OD1 3.33Å; S89-N139 PolarHBondContact OG-OD1 2.86Å; S89-I170 WeakPolarHBondContact OG-CG2 3.29Å; S89-W174 PolarHBondContact OG-NE1 2.65Å
90	L	97	Very high	95.4	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-43.8	173.1	-176.3	63.9	0	0	0	112	Y86 I87 V88 V92 A93 D94 N139 L140 I143 V502	Y86-L90 PolarHBondContact O-N 3.08Å; I87-L90 PolarHBondContact O-N 3.48Å; V88-L90 VanDerWaalsContact C-N 3.31Å; V88-L90 PolarHBondContact O-N 2.85Å; L90-V92 VanDerWaalsContact C-N 3.28Å; L90-V92 PolarHBondContact O-N 3.39Å; L90-A93 WeakPolarHBondContact O-CB 3.41Å; L90-A93 PolarHBondContact O-N 3.34Å; L90-A93 VanDerWaalsContact O-N 3.14Å; L90-D94 PolarHBondContact O-N 3.29Å; L90-N139 HydrophobicContact CB-CB 4.34Å; L90-N139 HydrophobicContact CD1-CB 4.2Å; L90-L140 HydrophobicContact CD2-CD2 3.82Å; L90-I143 HydrophobicContact CD2-CD1 4.31Å; L90-V502 HydrophobicContact CD2-CG1 3.98Å
91	A	97.5	Very high	95.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-32.4	176.8	0	0	0	0	0	112.9	N66 I69 I70 I87 V88 L95	N66-A91 HydrophobicContact CB-CB 4.23Å; I69-A91 HydrophobicContact CB-CB 3.96Å; I69-A91 HydrophobicContact CD1-CB 4.11Å; I69-A91 HydrophobicContact CG2-CB 3.75Å; I70-A91 HydrophobicContact CG1-CB 4.2Å; I87-A91 PolarHBondContact O-N 2.96Å; V88-A91 WeakPolarHBondContact O-CB 3.26Å; V88-A91 PolarHBondContact O-N 3.16Å; V88-A91 VanDerWaalsContact O-N 3.13Å; A91-L95 VanDerWaalsContact O-CB 3.24Å; A91-L95 WeakPolarHBondContact O-CB 3.47Å; A91-L95 PolarHBondContact O-N 3.26Å
92	V	98.1	Very high	95.9	Very high	52 Å²	52	19 Å²	19	32%	0.315	11%	0.106	S	C	.	.	H	α-helix	trans	-64.8	-43.9	172.5	171.6	0	0	0	0	110.7	I70 V88 S89 L90 L95 L96 W174	I70-V92 HydrophobicContact CD1-CG2 3.87Å; I70-V92 HydrophobicContact CG1-CG2 4.35Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 3.21Å; S89-V92 PolarHBondContact O-N 2.96Å; L90-V92 VanDerWaalsContact C-N 3.28Å; L90-V92 PolarHBondContact O-N 3.39Å; V92-L95 PolarHBondContact O-N 3.47Å; V92-L96 HydrophobicContact CG1-CD1 4.32Å; V92-L96 WeakPolarHBondContact O-CG 3.24Å; V92-L96 PolarHBondContact O-N 2.8Å; V92-W174 HydrophobicContact CB-CZ2 4.27Å; V92-W174 HydrophobicContact CG1-CH2 4.08Å; V92-W174 HydrophobicContact CG1-CZ2 3.96Å
93	A	97.6	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-47	175.4	0	0	0	0	0	111.9	S89 L90 L95 L96 V97 W174	S89-A93 PolarHBondContact O-N 3.14Å; L90-A93 WeakPolarHBondContact O-CB 3.41Å; L90-A93 PolarHBondContact O-N 3.34Å; L90-A93 VanDerWaalsContact O-N 3.14Å; A93-L95 PolarHBondContact O-N 3.43Å; A93-L96 PolarHBondContact O-N 3.39Å; A93-V97 WeakPolarHBondContact O-CG2 3.08Å; A93-V97 PolarHBondContact O-N 3.01Å; A93-W174 HydrophobicContact CB-CH2 3.78Å; A93-W174 HydrophobicContact CB-CZ2 4.03Å
94	D	97.1	Very high	96.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-34.9	178.2	-71.2	-37.6	0	0	0	113.2	T62 N66 L90 V97 S98 S543 N546	T62-D94 WeakPolarHBondContact CG2-O 3.37Å; N66-D94 HydrophobicContact CB-CB 4.49Å; L90-D94 PolarHBondContact O-N 3.29Å; D94-V97 WeakPolarHBondContact O-CB 3.3Å; D94-V97 PolarHBondContact O-N 3.31Å; D94-S98 PolarHBondContact O-N 2.84Å; D94-S543 WeakPolarHBondContact OD1-CB 3.39Å; D94-S543 PolarHBondContact OD1-OG 2.91Å; D94-N546 PolarHBondContact OD2-ND2 2.93Å
95	L	97.6	Very high	96.5	Very high	29 Å²	29	21.8 Å²	21.8	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-43.1	173.5	-173.3	145.8	0	0	0	110.7	F63 N66 L67 I70 A91 V92 A93 V97 S98 V99	F63-L95 HydrophobicContact CD2-CG 4.37Å; N66-L95 HydrophobicContact CB-CB 4.2Å; L67-L95 HydrophobicContact CB-CD1 3.96Å; L67-L95 HydrophobicContact CD1-CD1 4.34Å; I70-L95 HydrophobicContact CD1-CD1 4.03Å; A91-L95 VanDerWaalsContact O-CB 3.24Å; A91-L95 WeakPolarHBondContact O-CB 3.47Å; A91-L95 PolarHBondContact O-N 3.26Å; V92-L95 PolarHBondContact O-N 3.47Å; A93-L95 PolarHBondContact O-N 3.43Å; L95-V97 VanDerWaalsContact C-N 3.29Å; L95-V97 PolarHBondContact O-N 3.38Å; L95-S98 PolarHBondContact O-N 2.92Å; L95-S98 VanDerWaalsContact O-N 3.09Å; L95-S98 PolarHBondContact O-OG 3.31Å; L95-V99 HydrophobicContact CD2-CG2 4.21Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 3.38Å; L95-V99 VanDerWaalsContact O-N 3.16Å
96	L	97.7	Very high	96.4	Very high	55 Å²	55	21 Å²	21	29%	0.288	12%	0.122	S	C	.	.	H	α-helix	trans	-62.6	-34.4	174.8	-71.6	176.5	0	0	0	112.3	V92 A93 S98 V99 L100 L132 W174	V92-L96 HydrophobicContact CG1-CD1 4.32Å; V92-L96 WeakPolarHBondContact O-CG 3.24Å; V92-L96 PolarHBondContact O-N 2.8Å; A93-L96 PolarHBondContact O-N 3.39Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.95Å; L96-V99 PolarHBondContact O-N 2.79Å; L96-L100 HydrophobicContact CB-CD1 4.46Å; L96-L100 HydrophobicContact CD2-CD1 4.31Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 PolarHBondContact O-N 3.49Å; L96-L132 HydrophobicContact CB-CD1 3.98Å; L96-L132 HydrophobicContact CB-CD2 3.63Å; L96-L132 HydrophobicContact CB-CG 4.48Å; L96-L132 HydrophobicContact CD1-CD2 3.91Å; L96-L132 HydrophobicContact CG-CD2 4.44Å; L96-W174 HydrophobicContact CD1-CH2 3.89Å; L96-W174 HydrophobicContact CD1-CZ3 4.05Å
97	V	97.3	Very high	96.3	Very high	8 Å²	8	23.2 Å²	23.2	5%	0.048	14%	0.136	C	C	.	.	I	π-helix	trans	-59.1	-45.2	171.8	170.7	0	0	0	0	110.3	A93 D94 L95 V99 V101 L102 L132 Y540	A93-V97 WeakPolarHBondContact O-CG2 3.08Å; A93-V97 PolarHBondContact O-N 3.01Å; D94-V97 WeakPolarHBondContact O-CB 3.3Å; D94-V97 PolarHBondContact O-N 3.31Å; L95-V97 VanDerWaalsContact C-N 3.29Å; L95-V97 PolarHBondContact O-N 3.38Å; V97-V99 VanDerWaalsContact C-N 3.25Å; V97-V99 PolarHBondContact O-N 3.36Å; V97-V101 HydrophobicContact CG1-CB 4.27Å; V97-V101 WeakPolarHBondContact O-CA 3.33Å; V97-V101 WeakPolarHBondContact O-CB 3.3Å; V97-V101 PolarHBondContact O-N 2.75Å; V97-L102 HydrophobicContact CG1-CD1 4.44Å; V97-L102 HydrophobicContact CG1-CD2 4.13Å; V97-L102 HydrophobicContact CG1-CG 4Å; V97-L102 PolarHBondContact O-N 3.39Å; V97-L132 HydrophobicContact CG2-CB 3.66Å; V97-L132 HydrophobicContact CG2-CD1 3.9Å; V97-L132 HydrophobicContact CG2-CG 4.35Å; V97-Y540 HydrophobicContact CG1-CD1 4.39Å
98	S	97	Very high	96	Very high	5 Å²	5	25 Å²	25	4%	0.035	14%	0.142	C	C	.	.	I	π-helix	trans	-66	-24.2	179.1	73.9	0	0	0	0	114.7	D94 L95 L96 P103	D94-S98 PolarHBondContact O-N 2.84Å; L95-S98 PolarHBondContact O-N 2.92Å; L95-S98 VanDerWaalsContact O-N 3.09Å; L95-S98 PolarHBondContact O-OG 3.31Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.95Å; S98-P103 VanDerWaalsContact O-CD 3.28Å; S98-P103 WeakPolarHBondContact O-CD 3.43Å
99	V	97.3	Very high	95.7	Very high	70 Å²	70	26.3 Å²	26.3	42%	0.424	15%	0.147	S	C	.	.	I	π-helix	trans	-92.9	-45.3	-179.5	176.2	0	0	0	0	111.7	F63 L95 L96 V97	F63-V99 HydrophobicContact CD2-CG2 3.94Å; F63-V99 HydrophobicContact CE2-CG2 3.87Å; L95-V99 HydrophobicContact CD2-CG2 4.21Å; L95-V99 WeakPolarHBondContact O-CG2 3.44Å; L95-V99 PolarHBondContact O-N 3.38Å; L95-V99 VanDerWaalsContact O-N 3.16Å; L96-V99 PolarHBondContact O-N 2.79Å; V97-V99 VanDerWaalsContact C-N 3.25Å; V97-V99 PolarHBondContact O-N 3.36Å
100	L	95.6	Very high	95.2	Very high	58 Å²	58	27.5 Å²	27.5	30%	0.304	15%	0.152	S	C	.	.	I	π-helix	trans	-96.9	-29.7	-169.3	-58.8	178.9	0	0	0	113.6	L96 F124 L132	L96-L100 HydrophobicContact CB-CD1 4.46Å; L96-L100 HydrophobicContact CD2-CD1 4.31Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 PolarHBondContact O-N 3.49Å; L100-F124 HydrophobicContact CD1-CZ 4.48Å; L100-F124 HydrophobicContact CD2-CZ 4.38Å; L100-L132 HydrophobicContact CD1-CD1 4.48Å
101	V	95.9	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-108.1	-51.4	-169.7	-178.5	0	0	0	0	111.6	V97 A105 W125 A128 N129 L132 Y540	V97-V101 HydrophobicContact CG1-CB 4.27Å; V97-V101 WeakPolarHBondContact O-CA 3.33Å; V97-V101 WeakPolarHBondContact O-CB 3.3Å; V97-V101 PolarHBondContact O-N 2.75Å; V101-A105 WeakPolarHBondContact O-CB 2.99Å; V101-A105 PolarHBondContact O-N 2.98Å; V101-W125 PolarHBondContact O-NE1 3.12Å; V101-W125 VanDerWaalsContact O-NE1 3.12Å; V101-A128 HydrophobicContact CG2-CB 4.42Å; V101-N129 HydrophobicContact CG1-CB 4.03Å; V101-N129 HydrophobicContact CG2-CB 4.23Å; V101-L132 HydrophobicContact CG2-CD1 3.93Å; V101-Y540 HydrophobicContact CG1-CE1 3.72Å
102	L	96.2	Very high	94.1	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-42.4	-171.7	-61.1	-174.4	0	0	0	114.2	T59 V97 L104 A105 I106 W537 Y540	T59-L102 HydrophobicContact CG2-CB 3.77Å; T59-L102 HydrophobicContact CG2-CD1 3.96Å; T59-L102 HydrophobicContact CG2-CG 4.5Å; V97-L102 HydrophobicContact CG1-CD1 4.44Å; V97-L102 HydrophobicContact CG1-CD2 4.13Å; V97-L102 HydrophobicContact CG1-CG 4Å; V97-L102 PolarHBondContact O-N 3.39Å; L102-L104 PolarHBondContact O-N 3.5Å; L102-A105 WeakPolarHBondContact O-CB 3.41Å; L102-A105 PolarHBondContact O-N 3.01Å; L102-A105 VanDerWaalsContact O-N 3.17Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.06Å; L102-W537 HydrophobicContact CD2-CZ3 4.17Å; L102-Y540 HydrophobicContact CD2-CD1 3.96Å; L102-Y540 HydrophobicContact CD2-CD2 3.81Å; L102-Y540 HydrophobicContact CD2-CE2 4.4Å; L102-Y540 HydrophobicContact CD2-CG 3.58Å
103	P	95.7	Very high	93.5	Very high	58 Å²	58	36.2 Å²	36.2	38%	0.377	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-44.8	-179.1	-25.7	36.9	0	0	0	112.3	S98 A105 I106 V107	S98-P103 VanDerWaalsContact O-CD 3.28Å; S98-P103 WeakPolarHBondContact O-CD 3.43Å; P103-A105 VanDerWaalsContact C-N 3.34Å; P103-A105 PolarHBondContact O-N 3.27Å; P103-I106 PolarHBondContact O-N 3.16Å; P103-V107 WeakPolarHBondContact O-CG2 3.37Å; P103-V107 PolarHBondContact O-N 3.34Å; P103-V107 VanDerWaalsContact O-N 3.11Å
104	L	94.2	Very high	93	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-36.1	176.5	-62.7	177.3	0	0	0	111.6	L102 V107 R108 W114 F116 L121 W125	L102-L104 PolarHBondContact O-N 3.5Å; L104-V107 PolarHBondContact O-N 3.14Å; L104-R108 WeakPolarHBondContact O-CB 3.46Å; L104-R108 PolarHBondContact O-N 3.47Å; L104-W114 HydrophobicContact CB-CZ3 4.44Å; L104-W114 HydrophobicContact CD1-CH2 4.35Å; L104-F116 HydrophobicContact CD2-CD2 4.43Å; L104-F116 HydrophobicContact CD2-CE1 4.23Å; L104-F116 HydrophobicContact CD2-CE2 3.59Å; L104-F116 HydrophobicContact CD2-CZ 3.47Å; L104-F116 VanDerWaalsContact CD2-CZ 3.47Å; L104-L121 HydrophobicContact CD1-CD1 4.24Å; L104-L121 HydrophobicContact CD1-CG 4.49Å; L104-L121 HydrophobicContact CD2-CD2 4.47Å; L104-W125 HydrophobicContact CB-CG 4.19Å; L104-W125 HydrophobicContact CD1-CB 3.94Å; L104-W125 HydrophobicContact CD1-CG 3.99Å
105	A	93.8	Very high	92.6	Very high	9 Å²	9	38.5 Å²	38.5	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-40.5	174.6	0	0	0	0	0	112.4	V101 L102 P103 R108 Q109 W125 W537 Y540	V101-A105 WeakPolarHBondContact O-CB 2.99Å; V101-A105 PolarHBondContact O-N 2.98Å; L102-A105 WeakPolarHBondContact O-CB 3.41Å; L102-A105 PolarHBondContact O-N 3.01Å; L102-A105 VanDerWaalsContact O-N 3.17Å; P103-A105 VanDerWaalsContact C-N 3.34Å; P103-A105 PolarHBondContact O-N 3.27Å; A105-R108 PolarHBondContact O-N 2.85Å; A105-Q109 VanDerWaalsContact O-CB 3.29Å; A105-Q109 WeakPolarHBondContact O-CB 3.11Å; A105-Q109 PolarHBondContact O-N 3.37Å; A105-W125 HydrophobicContact CB-CZ2 4.07Å; A105-W537 HydrophobicContact CB-CH2 3.98Å; A105-W537 HydrophobicContact CB-CZ2 4.1Å; A105-Y540 HydrophobicContact CB-CE2 4.22Å
106	I	94.3	Very high	92.2	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.097	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-44.6	175.8	-66.7	173.1	0	0	0	110.7	L55 I56 T59 L102 P103 R108 Q109 N110 W537	L55-I106 HydrophobicContact CB-CD1 4.06Å; L55-I106 HydrophobicContact CB-CG1 3.96Å; I56-I106 HydrophobicContact CG1-CD1 4.24Å; T59-I106 WeakPolarHBondContact OG1-CD1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.06Å; P103-I106 PolarHBondContact O-N 3.16Å; I106-R108 PolarHBondContact O-N 2.98Å; I106-Q109 WeakPolarHBondContact O-CB 3.16Å; I106-Q109 PolarHBondContact O-N 2.92Å; I106-N110 WeakPolarHBondContact O-CB 3.44Å; I106-N110 PolarHBondContact O-N 3.43Å; I106-W537 HydrophobicContact CG1-CH2 3.76Å; I106-W537 HydrophobicContact CG1-CZ2 4.45Å
107	V	93	Very high	91.5	Very high	52 Å²	52	46.4 Å²	46.4	32%	0.315	25%	0.249	S	C	.	.	H	α-helix	trans	-59.2	-50	177.4	172.2	0	0	0	0	110.6	P103 L104 Q109 N110 L111 P115 F116	P103-V107 WeakPolarHBondContact O-CG2 3.37Å; P103-V107 PolarHBondContact O-N 3.34Å; P103-V107 VanDerWaalsContact O-N 3.11Å; L104-V107 PolarHBondContact O-N 3.14Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.35Å; V107-N110 PolarHBondContact O-N 3.47Å; V107-L111 HydrophobicContact CG1-CD1 3.82Å; V107-L111 WeakPolarHBondContact O-CG 3.24Å; V107-L111 PolarHBondContact O-N 3.36Å; V107-P115 HydrophobicContact CG1-CG 3.7Å; V107-F116 HydrophobicContact CB-CE2 4.46Å; V107-F116 HydrophobicContact CB-CZ 4.22Å; V107-F116 HydrophobicContact CG1-CE2 4.04Å; V107-F116 HydrophobicContact CG1-CZ 3.8Å; V107-F116 HydrophobicContact CG2-CZ 4.42Å
108	R	89.4	Confident	90.9	Very high	41 Å²	41	48.1 Å²	48.1	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-40.7	177.3	-179.5	-175.6	139.5	109.9	-3.3	112.2	L104 A105 I106 N110 G112 C198 H199	L104-R108 WeakPolarHBondContact O-CB 3.46Å; L104-R108 PolarHBondContact O-N 3.47Å; A105-R108 PolarHBondContact O-N 2.85Å; I106-R108 PolarHBondContact O-N 2.98Å; R108-N110 VanDerWaalsContact C-N 3.33Å; R108-N110 PolarHBondContact O-N 3Å; R108-G112 WeakPolarHBondContact O-CA 3.42Å; R108-G112 PolarHBondContact O-N 2.99Å; R108-C198 PolarHBondContact NH1-O 3.06Å; R108-H199 PolarHBondContact NH1-CE1 3.45Å; R108-H199 VanDerWaalsContact NH1-CE1 3.32Å; R108-H199 PolarHBondContact NH1-NE2 2.85Å; R108-H199 VanDerWaalsContact NH1-NE2 3.19Å; R108-H199 PolarHBondContact NH2-CE1 3.38Å; R108-H199 PolarHBondContact NH2-ND1 2.87Å
109	Q	89.1	Confident	90.2	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.234	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-42.6	176.3	175.4	65.2	52.5	0	0	111.9	I51 L55 A105 I106 V107 W537	I51-Q109 HydrophobicContact CG2-CG 4.44Å; L55-Q109 HydrophobicContact CD1-CB 4.49Å; L55-Q109 HydrophobicContact CD1-CG 3.89Å; A105-Q109 VanDerWaalsContact O-CB 3.29Å; A105-Q109 WeakPolarHBondContact O-CB 3.11Å; A105-Q109 PolarHBondContact O-N 3.37Å; I106-Q109 WeakPolarHBondContact O-CB 3.16Å; I106-Q109 PolarHBondContact O-N 2.92Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.35Å; Q109-W537 HydrophobicContact CB-CZ2 4.12Å; Q109-W537 HydrophobicContact CG-CZ2 4.44Å
110	N	89.1	Confident	89.6	Confident	34 Å²	34	58.8 Å²	58.8	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-79.2	-31	-174.9	-72.6	-13.6	0	0	0	113.3	K48 S52 I106 V107 R108	K48-N110 WeakPolarHBondContact CE-O 3.37Å; K48-N110 PolarHBondContact NZ-O 3.41Å; S52-N110 PolarHBondContact OG-ND2 2.97Å; S52-N110 PolarHBondContact OG-OD1 2.98Å; I106-N110 WeakPolarHBondContact O-CB 3.44Å; I106-N110 PolarHBondContact O-N 3.43Å; V107-N110 PolarHBondContact O-N 3.47Å; R108-N110 VanDerWaalsContact C-N 3.33Å; R108-N110 PolarHBondContact O-N 3Å
111	L	87	Confident	89.2	Confident	65 Å²	65	58.6 Å²	58.6	34%	0.34	30%	0.298	S	S	.	.	H	α-helix	trans	-88.2	-25.3	177.3	-64.2	176.3	0	0	0	112.2	V107 Y113 P115	V107-L111 HydrophobicContact CG1-CD1 3.82Å; V107-L111 WeakPolarHBondContact O-CG 3.24Å; V107-L111 PolarHBondContact O-N 3.36Å; L111-Y113 HydrophobicContact CB-CD1 4.01Å; L111-Y113 HydrophobicContact CB-CE1 3.86Å; L111-Y113 WeakPolarHBondContact O-CD1 3.37Å; L111-Y113 PolarHBondContact O-N 3.29Å; L111-P115 HydrophobicContact CD1-CB 3.54Å; L111-P115 HydrophobicContact CD1-CG 3.52Å
112	G	82.7	Confident	88.9	Confident	54 Å²	54	58.7 Å²	58.7	56%	0.557	30%	0.299	S	S	*	.	S	Bend	trans	78.9	-4.4	-175.9	0	0	0	0	0	114.1	R108	R108-G112 WeakPolarHBondContact O-CA 3.42Å; R108-G112 PolarHBondContact O-N 2.99Å
113	Y	85.7	Confident	88.4	Confident	119 Å²	119	60.8 Å²	60.8	47%	0.467	31%	0.309	S	S	.	.	S	Bend	trans	-140.9	170.6	177	68.9	-88.1	0	0	0	110.4	L111 P115 G196	L111-Y113 HydrophobicContact CB-CD1 4.01Å; L111-Y113 HydrophobicContact CB-CE1 3.86Å; L111-Y113 WeakPolarHBondContact O-CD1 3.37Å; L111-Y113 PolarHBondContact O-N 3.29Å; Y113-P115 HydrophobicContact CD2-CB 4.45Å; Y113-P115 HydrophobicContact CE2-CB 3.84Å; Y113-P115 WeakPolarHBondContact O-CD 3.35Å; Y113-G196 WeakPolarHBondContact CA-O 3.42Å; Y113-G196 WeakPolarHBondContact CB-O 3.34Å
114	W	88.6	Confident	88	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.038	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-87.4	109.5	174.8	-177.8	-102.9	0	0	0	111.2	L104 F116 S118 L121 C122 W125 G196 C198	L104-W114 HydrophobicContact CB-CZ3 4.44Å; L104-W114 HydrophobicContact CD1-CH2 4.35Å; W114-F116 AromaticContact CD2-CD2 3.9Å; W114-F116 HydrophobicContact CD2-CD2 3.9Å; W114-F116 AromaticContact CE2-CD2 3.63Å; W114-F116 HydrophobicContact CE3-CD2 4.06Å; W114-F116 HydrophobicContact CE3-CE2 4.41Å; W114-F116 AromaticContact CH2-CD2 3.76Å; W114-F116 HydrophobicContact CH2-CD2 3.76Å; W114-F116 HydrophobicContact CH2-CE2 4.15Å; W114-F116 HydrophobicContact CZ2-CB 4.19Å; W114-F116 AromaticContact CZ2-CD2 3.56Å; W114-F116 HydrophobicContact CZ2-CD2 3.56Å; W114-F116 HydrophobicContact CZ2-CE2 4.4Å; W114-F116 HydrophobicContact CZ2-CG 4.25Å; W114-F116 HydrophobicContact CZ3-CD2 4Å; W114-F116 HydrophobicContact CZ3-CE2 4.16Å; W114-S118 PolarHBondContact NE1-O 3.46Å; W114-L121 HydrophobicContact CH2-CD2 4.43Å; W114-L121 HydrophobicContact CH2-CG 4.19Å; W114-L121 HydrophobicContact CZ2-CB 4.03Å; W114-L121 HydrophobicContact CZ2-CD2 3.97Å; W114-L121 HydrophobicContact CZ2-CG 3.77Å; W114-C122 HydrophobicContact CZ2-CB 4Å; W114-W125 HydrophobicContact CE3-CE3 4.27Å; W114-W125 HydrophobicContact CE3-CZ3 4.43Å; W114-W125 HydrophobicContact CH2-CB 3.95Å; W114-W125 HydrophobicContact CH2-CD2 4.14Å; W114-W125 HydrophobicContact CH2-CE3 4.07Å; W114-W125 HydrophobicContact CH2-CG 4.1Å; W114-W125 AromaticContact CZ3-CD2 3.82Å; W114-W125 HydrophobicContact CZ3-CD2 3.82Å; W114-W125 AromaticContact CZ3-CE3 3.59Å; W114-W125 HydrophobicContact CZ3-CE3 3.59Å; W114-W125 HydrophobicContact CZ3-CG 4.23Å; W114-W125 HydrophobicContact CZ3-CZ3 4.11Å; W114-G196 PolarHBondContact N-O 2.96Å; W114-G196 WeakPolarHBondContact O-CA 3.3Å; W114-C198 HydrophobicContact CB-CB 3.73Å; W114-C198 HydrophobicContact CD2-CB 3.65Å; W114-C198 HydrophobicContact CE3-CB 3.93Å; W114-C198 HydrophobicContact CG-CB 3.58Å
115	P	88.9	Confident	87.9	Confident	38 Å²	38	61.1 Å²	61.1	25%	0.247	30%	0.303	C	S	.	.			trans	-89.5	-6.9	-169.8	39	-42.8	0	0	0	115.1	V107 L111 Y113 E117	V107-P115 HydrophobicContact CG1-CG 3.7Å; L111-P115 HydrophobicContact CD1-CB 3.54Å; L111-P115 HydrophobicContact CD1-CG 3.52Å; Y113-P115 HydrophobicContact CD2-CB 4.45Å; Y113-P115 HydrophobicContact CE2-CB 3.84Å; Y113-P115 WeakPolarHBondContact O-CD 3.35Å; P115-E117 VanDerWaalsContact C-N 3.27Å; P115-E117 PolarHBondContact O-N 2.95Å
116	F	88.9	Confident	87.7	Confident	75 Å²	75	61.1 Å²	61.1	33%	0.329	30%	0.302	S	S	.	.	S	Bend	trans	-83.3	-1.8	-165.6	-60.5	-75.5	0	0	0	114.2	L104 V107 W114 S118 L121	L104-F116 HydrophobicContact CD2-CD2 4.43Å; L104-F116 HydrophobicContact CD2-CE1 4.23Å; L104-F116 HydrophobicContact CD2-CE2 3.59Å; L104-F116 HydrophobicContact CD2-CZ 3.47Å; L104-F116 VanDerWaalsContact CD2-CZ 3.47Å; V107-F116 HydrophobicContact CB-CE2 4.46Å; V107-F116 HydrophobicContact CB-CZ 4.22Å; V107-F116 HydrophobicContact CG1-CE2 4.04Å; V107-F116 HydrophobicContact CG1-CZ 3.8Å; V107-F116 HydrophobicContact CG2-CZ 4.42Å; W114-F116 AromaticContact CD2-CD2 3.9Å; W114-F116 HydrophobicContact CD2-CD2 3.9Å; W114-F116 AromaticContact CE2-CD2 3.63Å; W114-F116 HydrophobicContact CE3-CD2 4.06Å; W114-F116 HydrophobicContact CE3-CE2 4.41Å; W114-F116 AromaticContact CH2-CD2 3.76Å; W114-F116 HydrophobicContact CH2-CD2 3.76Å; W114-F116 HydrophobicContact CH2-CE2 4.15Å; W114-F116 HydrophobicContact CZ2-CB 4.19Å; W114-F116 AromaticContact CZ2-CD2 3.56Å; W114-F116 HydrophobicContact CZ2-CD2 3.56Å; W114-F116 HydrophobicContact CZ2-CE2 4.4Å; W114-F116 HydrophobicContact CZ2-CG 4.25Å; W114-F116 HydrophobicContact CZ3-CD2 4Å; W114-F116 HydrophobicContact CZ3-CE2 4.16Å; F116-S118 VanDerWaalsContact O-CB 3.26Å; F116-S118 WeakPolarHBondContact O-CB 3.25Å; F116-S118 PolarHBondContact O-N 3.4Å; F116-L121 HydrophobicContact CB-CD2 3.67Å; F116-L121 HydrophobicContact CD1-CD2 3.9Å; F116-L121 HydrophobicContact CD2-CD2 3.95Å; F116-L121 HydrophobicContact CG-CD2 3.56Å
117	E	81.7	Confident	87.4	Confident	176 Å²	176	60.4 Å²	60.4	82%	0.822	30%	0.298	S	S	*	.			trans	43.2	25.1	-178.3	-62.3	-175.6	-179.9	0	0	114.2	P115	P115-E117 VanDerWaalsContact C-N 3.27Å; P115-E117 PolarHBondContact O-N 2.95Å
118	S	84.9	Confident	87.3	Confident	44 Å²	44	58 Å²	58	31%	0.308	28%	0.284	S	S	.	.			trans	-126.9	108.2	-171.4	176.9	0	0	0	0	109.3	W114 F116 R120 L121 C122	W114-S118 PolarHBondContact NE1-O 3.46Å; F116-S118 VanDerWaalsContact O-CB 3.26Å; F116-S118 WeakPolarHBondContact O-CB 3.25Å; F116-S118 PolarHBondContact O-N 3.4Å; S118-R120 VanDerWaalsContact C-N 3.3Å; S118-R120 PolarHBondContact O-N 2.94Å; S118-L121 PolarHBondContact O-N 3.14Å; S118-L121 PolarHBondContact OG-N 3.38Å; S118-C122 PolarHBondContact O-N 3.01Å; S118-C122 VanDerWaalsContact O-N 3.08Å
119	D	82	Confident	87.5	Confident	89 Å²	89	56.8 Å²	56.8	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-41.2	176.9	-82.9	6.8	0	0	0	112	L121 C122 Q123 L193	D119-L121 PolarHBondContact O-N 2.86Å; D119-C122 WeakPolarHBondContact O-CB 3.48Å; D119-C122 PolarHBondContact O-N 3.02Å; D119-Q123 WeakPolarHBondContact O-CG 3.39Å; D119-Q123 PolarHBondContact O-N 2.95Å; D119-L193 HydrophobicContact CB-CD2 3.25Å; D119-L193 WeakPolarHBondContact O-CD2 3.2Å; D119-L193 WeakPolarHBondContact OD1-CD2 3.39Å
120	R	84.4	Confident	87.5	Confident	210 Å²	210	56.3 Å²	56.3	79%	0.792	28%	0.279	S	S	*	.	H	α-helix	trans	-64.1	-41	178.2	-64.1	-176.6	-176.7	172.5	1.4	111.6	S118 C122 Q123 F124	S118-R120 VanDerWaalsContact C-N 3.3Å; S118-R120 PolarHBondContact O-N 2.94Å; R120-C122 VanDerWaalsContact C-N 3.35Å; R120-Q123 PolarHBondContact O-N 3.41Å; R120-F124 VanDerWaalsContact O-CB 3.31Å; R120-F124 WeakPolarHBondContact O-CB 3.44Å; R120-F124 PolarHBondContact O-N 3.29Å
121	L	88.5	Confident	87.7	Confident	53 Å²	53	55 Å²	55	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-37.9	177.5	-172.8	65.3	0	0	0	111.2	L104 W114 F116 S118 D119 F124 W125	L104-L121 HydrophobicContact CD1-CD1 4.24Å; L104-L121 HydrophobicContact CD1-CG 4.49Å; L104-L121 HydrophobicContact CD2-CD2 4.47Å; W114-L121 HydrophobicContact CH2-CD2 4.43Å; W114-L121 HydrophobicContact CH2-CG 4.19Å; W114-L121 HydrophobicContact CZ2-CB 4.03Å; W114-L121 HydrophobicContact CZ2-CD2 3.97Å; W114-L121 HydrophobicContact CZ2-CG 3.77Å; F116-L121 HydrophobicContact CB-CD2 3.67Å; F116-L121 HydrophobicContact CD1-CD2 3.9Å; F116-L121 HydrophobicContact CD2-CD2 3.95Å; F116-L121 HydrophobicContact CG-CD2 3.56Å; S118-L121 PolarHBondContact O-N 3.14Å; S118-L121 PolarHBondContact OG-N 3.38Å; D119-L121 PolarHBondContact O-N 2.86Å; L121-F124 PolarHBondContact O-N 3.5Å; L121-W125 VanDerWaalsContact O-CB 3.27Å; L121-W125 WeakPolarHBondContact O-CB 3.35Å; L121-W125 PolarHBondContact O-N 3.49Å
122	C	88.7	Confident	88.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-50.2	174.3	172.8	0	0	0	0	111.4	W114 S118 D119 R120 F124 W125 L126 L193 C198	W114-C122 HydrophobicContact CZ2-CB 4Å; S118-C122 PolarHBondContact O-N 3.01Å; S118-C122 VanDerWaalsContact O-N 3.08Å; D119-C122 WeakPolarHBondContact O-CB 3.48Å; D119-C122 PolarHBondContact O-N 3.02Å; R120-C122 VanDerWaalsContact C-N 3.35Å; C122-F124 VanDerWaalsContact C-N 3.35Å; C122-F124 PolarHBondContact O-N 2.97Å; C122-W125 PolarHBondContact O-N 3.27Å; C122-L126 WeakPolarHBondContact O-CG 3.31Å; C122-L126 PolarHBondContact O-N 3.41Å; C122-L193 HydrophobicContact CB-CD2 4.42Å; C122-C198 WeakPolarHBondContact CA-SG 3.48Å; C122-C198 HydrophobicContact CB-CB 3.9Å; C122-C198 WeakPolarHBondContact CB-SG 3.38Å; C122-C198 WeakPolarHBondContact SG-CA 3.29Å; C122-C198 WeakPolarHBondContact SG-CB 3.45Å; C122-C198 CovalentContact SG-SG 2.02Å; C122-C198 PolarHBondContact SG-SG 3.27Å
123	Q	85.5	Confident	88.6	Confident	49 Å²	49	49.9 Å²	49.9	23%	0.229	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-43.5	177.6	-69.8	174.4	16.7	0	0	111.8	D119 R120 S127 H191 L193	D119-Q123 WeakPolarHBondContact O-CG 3.39Å; D119-Q123 PolarHBondContact O-N 2.95Å; R120-Q123 PolarHBondContact O-N 3.41Å; Q123-S127 WeakPolarHBondContact O-CB 2.95Å; Q123-S127 PolarHBondContact O-N 3.43Å; Q123-S127 PolarHBondContact O-OG 2.94Å; Q123-H191 HydrophobicContact CG-CB 4.36Å; Q123-L193 HydrophobicContact CG-CD2 4.07Å
124	F	88.6	Confident	89	Confident	81 Å²	81	44.9 Å²	44.9	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-51	174.2	173.8	-96.8	0	0	0	111.5	L100 R120 L121 C122 L126 S127 A128	L100-F124 HydrophobicContact CD1-CZ 4.48Å; L100-F124 HydrophobicContact CD2-CZ 4.38Å; R120-F124 VanDerWaalsContact O-CB 3.31Å; R120-F124 WeakPolarHBondContact O-CB 3.44Å; R120-F124 PolarHBondContact O-N 3.29Å; L121-F124 PolarHBondContact O-N 3.5Å; C122-F124 VanDerWaalsContact C-N 3.35Å; C122-F124 PolarHBondContact O-N 2.97Å; F124-L126 PolarHBondContact O-N 3.37Å; F124-S127 PolarHBondContact O-N 3.38Å; F124-A128 HydrophobicContact CE1-CB 4.42Å; F124-A128 HydrophobicContact CZ-CB 4.41Å; F124-A128 WeakPolarHBondContact O-CB 3.35Å; F124-A128 PolarHBondContact O-N 2.97Å
125	W	91.3	Very high	89.4	Confident	13 Å²	13	44.4 Å²	44.4	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-47.4	-177.8	172.1	64.5	0	0	0	112.1	V101 L104 A105 W114 L121 C122 A128 N129 C198	V101-W125 PolarHBondContact O-NE1 3.12Å; V101-W125 VanDerWaalsContact O-NE1 3.12Å; L104-W125 HydrophobicContact CB-CG 4.19Å; L104-W125 HydrophobicContact CD1-CB 3.94Å; L104-W125 HydrophobicContact CD1-CG 3.99Å; A105-W125 HydrophobicContact CB-CZ2 4.07Å; W114-W125 HydrophobicContact CE3-CE3 4.27Å; W114-W125 HydrophobicContact CE3-CZ3 4.43Å; W114-W125 HydrophobicContact CH2-CB 3.95Å; W114-W125 HydrophobicContact CH2-CD2 4.14Å; W114-W125 HydrophobicContact CH2-CE3 4.07Å; W114-W125 HydrophobicContact CH2-CG 4.1Å; W114-W125 AromaticContact CZ3-CD2 3.82Å; W114-W125 HydrophobicContact CZ3-CD2 3.82Å; W114-W125 AromaticContact CZ3-CE3 3.59Å; W114-W125 HydrophobicContact CZ3-CE3 3.59Å; W114-W125 HydrophobicContact CZ3-CG 4.23Å; W114-W125 HydrophobicContact CZ3-CZ3 4.11Å; L121-W125 VanDerWaalsContact O-CB 3.27Å; L121-W125 WeakPolarHBondContact O-CB 3.35Å; L121-W125 PolarHBondContact O-N 3.49Å; C122-W125 PolarHBondContact O-N 3.27Å; W125-A128 PolarHBondContact O-N 3.21Å; W125-N129 WeakPolarHBondContact O-CB 3.2Å; W125-N129 PolarHBondContact O-N 2.83Å; W125-C198 VanDerWaalsContact CE3-SG 3.59Å
126	L	89	Confident	89.8	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-41.8	177.4	-69.4	174.4	0	0	0	111.8	C122 F124 N129 I130 H191 H199 I200	C122-L126 WeakPolarHBondContact O-CG 3.31Å; C122-L126 PolarHBondContact O-N 3.41Å; F124-L126 PolarHBondContact O-N 3.37Å; L126-N129 PolarHBondContact O-N 2.91Å; L126-I130 WeakPolarHBondContact O-CG1 3.34Å; L126-I130 PolarHBondContact O-N 2.79Å; L126-I130 VanDerWaalsContact O-N 3.13Å; L126-H191 VanDerWaalsContact CB-CE1 3.46Å; L126-H191 WeakPolarHBondContact CB-CE1 3.34Å; L126-H191 HydrophobicContact CD1-CB 3.89Å; L126-H191 VanDerWaalsContact CD1-ND1 3.31Å; L126-H191 WeakPolarHBondContact CD1-ND1 3.44Å; L126-H199 WeakPolarHBondContact CD1-O 3.35Å; L126-I200 HydrophobicContact CD2-CG1 4.28Å
127	S	88.6	Confident	90.1	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-41.4	178.9	-54.5	0	0	0	0	111.4	Q123 F124 N129 I130 V131 H191	Q123-S127 WeakPolarHBondContact O-CB 2.95Å; Q123-S127 PolarHBondContact O-N 3.43Å; Q123-S127 PolarHBondContact O-OG 2.94Å; F124-S127 PolarHBondContact O-N 3.38Å; S127-N129 VanDerWaalsContact C-N 3.33Å; S127-N129 PolarHBondContact O-N 3.02Å; S127-I130 PolarHBondContact O-N 3.01Å; S127-V131 WeakPolarHBondContact O-CB 3.1Å; S127-V131 WeakPolarHBondContact O-CG2 3.45Å; S127-V131 PolarHBondContact O-N 2.82Å; S127-H191 PolarHBondContact OG-NE2 2.9Å
128	A	92.1	Very high	90.8	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-42.7	175.6	0	0	0	0	0	111.5	V101 F124 W125 V131 L132 M181	V101-A128 HydrophobicContact CG2-CB 4.42Å; F124-A128 HydrophobicContact CE1-CB 4.42Å; F124-A128 HydrophobicContact CZ-CB 4.41Å; F124-A128 WeakPolarHBondContact O-CB 3.35Å; F124-A128 PolarHBondContact O-N 2.97Å; W125-A128 PolarHBondContact O-N 3.21Å; A128-V131 PolarHBondContact O-N 3.3Å; A128-L132 VanDerWaalsContact O-CB 3.3Å; A128-L132 WeakPolarHBondContact O-CB 3.16Å; A128-L132 WeakPolarHBondContact O-CG 3.48Å; A128-L132 PolarHBondContact O-N 3.06Å; A128-M181 HydrophobicContact CB-CE 3.97Å; A128-M181 VanDerWaalsContact N-CE 3.34Å
129	N	91.9	Very high	91.5	Very high	14 Å²	14	30 Å²	30	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-50.6	174.5	-176.2	26.2	0	0	0	112	V101 W125 L126 S127 V131 C133 Y540	V101-N129 HydrophobicContact CG1-CB 4.03Å; V101-N129 HydrophobicContact CG2-CB 4.23Å; W125-N129 WeakPolarHBondContact O-CB 3.2Å; W125-N129 PolarHBondContact O-N 2.83Å; L126-N129 PolarHBondContact O-N 2.91Å; S127-N129 VanDerWaalsContact C-N 3.33Å; S127-N129 PolarHBondContact O-N 3.02Å; N129-V131 PolarHBondContact O-N 3.13Å; N129-C133 VanDerWaalsContact O-CB 3.31Å; N129-C133 WeakPolarHBondContact O-CB 3.44Å; N129-C133 PolarHBondContact O-N 2.93Å; N129-Y540 PolarHBondContact ND2-OH 2.82Å; N129-Y540 VanDerWaalsContact ND2-OH 3.17Å; N129-Y540 WeakPolarHBondContact OD1-CE1 3.4Å
130	I	89.5	Confident	92.1	Very high	41 Å²	41	25.9 Å²	25.9	21%	0.21	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-47.1	179.6	-66.9	167.9	0	0	0	110.9	L126 S127 C133 M134 I200	L126-I130 WeakPolarHBondContact O-CG1 3.34Å; L126-I130 PolarHBondContact O-N 2.79Å; L126-I130 VanDerWaalsContact O-N 3.13Å; S127-I130 PolarHBondContact O-N 3.01Å; I130-C133 PolarHBondContact O-N 3.17Å; I130-M134 WeakPolarHBondContact O-CB 3.42Å; I130-M134 PolarHBondContact O-N 2.98Å; I130-I200 HydrophobicContact CD1-CD1 4.35Å
131	V	92.7	Very high	92.7	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.03	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-42.9	-177.8	165.6	0	0	0	0	112.6	S127 A128 N129 M134 A135 P177 L178 M181	S127-V131 WeakPolarHBondContact O-CB 3.1Å; S127-V131 WeakPolarHBondContact O-CG2 3.45Å; S127-V131 PolarHBondContact O-N 2.82Å; A128-V131 PolarHBondContact O-N 3.3Å; N129-V131 PolarHBondContact O-N 3.13Å; V131-M134 PolarHBondContact O-N 3.23Å; V131-A135 VanDerWaalsContact O-CB 3.29Å; V131-A135 WeakPolarHBondContact O-CB 3.25Å; V131-A135 PolarHBondContact O-N 2.98Å; V131-P177 HydrophobicContact CB-CB 4.42Å; V131-P177 HydrophobicContact CG1-CB 3.84Å; V131-P177 VanDerWaalsContact CG2-O 3.26Å; V131-P177 WeakPolarHBondContact CG2-O 3.37Å; V131-P177 WeakPolarHBondContact O-CB 3.35Å; V131-L178 HydrophobicContact CG1-CD2 4.07Å; V131-M181 HydrophobicContact CB-CE 4.1Å; V131-M181 HydrophobicContact CB-CG 4.34Å; V131-M181 HydrophobicContact CB-SD 4.04Å; V131-M181 HydrophobicContact CG1-CE 4.48Å; V131-M181 HydrophobicContact CG1-SD 4.03Å; V131-M181 HydrophobicContact CG2-CB 3.61Å; V131-M181 HydrophobicContact CG2-CE 4.05Å; V131-M181 HydrophobicContact CG2-CG 3.35Å; V131-M181 HydrophobicContact CG2-SD 3.65Å
132	L	95.3	Very high	93.1	Very high	7 Å²	7	14.8 Å²	14.8	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-70.5	-36.5	179.6	-68.8	169.8	0	0	0	111.7	L96 V97 L100 V101 A128 A135 S136 W174	L96-L132 HydrophobicContact CB-CD1 3.98Å; L96-L132 HydrophobicContact CB-CD2 3.63Å; L96-L132 HydrophobicContact CB-CG 4.48Å; L96-L132 HydrophobicContact CD1-CD2 3.91Å; L96-L132 HydrophobicContact CG-CD2 4.44Å; V97-L132 HydrophobicContact CG2-CB 3.66Å; V97-L132 HydrophobicContact CG2-CD1 3.9Å; V97-L132 HydrophobicContact CG2-CG 4.35Å; L100-L132 HydrophobicContact CD1-CD1 4.48Å; V101-L132 HydrophobicContact CG2-CD1 3.93Å; A128-L132 VanDerWaalsContact O-CB 3.3Å; A128-L132 WeakPolarHBondContact O-CB 3.16Å; A128-L132 WeakPolarHBondContact O-CG 3.48Å; A128-L132 PolarHBondContact O-N 3.06Å; L132-A135 PolarHBondContact O-N 2.78Å; L132-S136 WeakPolarHBondContact O-CB 3.46Å; L132-S136 PolarHBondContact O-N 3.39Å; L132-S136 PolarHBondContact O-OG 3.18Å; L132-W174 HydrophobicContact CD2-CZ3 4.26Å
133	C	94.3	Very high	93.4	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.041	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-46.4	171	-178.7	0	0	0	0	111.4	N129 I130 S136 I137 W510	N129-C133 VanDerWaalsContact O-CB 3.31Å; N129-C133 WeakPolarHBondContact O-CB 3.44Å; N129-C133 PolarHBondContact O-N 2.93Å; I130-C133 PolarHBondContact O-N 3.17Å; C133-S136 WeakPolarHBondContact O-CB 3.32Å; C133-S136 PolarHBondContact O-N 2.6Å; C133-I137 PolarHBondContact O-N 2.91Å; C133-W510 HydrophobicContact CB-CH2 3.95Å; C133-W510 HydrophobicContact CB-CZ2 3.96Å; C133-W510 HydrophobicContact CB-CZ3 4.42Å; C133-W510 VanDerWaalsContact SG-CD2 3.57Å; C133-W510 VanDerWaalsContact SG-CE2 3.55Å
134	M	94.5	Very high	93.9	Very high	14 Å²	14	12.5 Å²	12.5	7%	0.069	7%	0.065	C	C	.	.	H	α-helix	trans	-66	-39.2	178	-167.6	-177	173.7	0	0	112.1	I130 V131 S136 I137 L138 P177 T180 V213	I130-M134 WeakPolarHBondContact O-CB 3.42Å; I130-M134 PolarHBondContact O-N 2.98Å; V131-M134 PolarHBondContact O-N 3.23Å; M134-S136 VanDerWaalsContact C-N 3.33Å; M134-S136 PolarHBondContact O-N 3.26Å; M134-I137 VanDerWaalsContact O-CG2 3.31Å; M134-I137 WeakPolarHBondContact O-CG2 3.42Å; M134-I137 PolarHBondContact O-N 3.31Å; M134-L138 HydrophobicContact CE-CD1 4.21Å; M134-L138 HydrophobicContact CG-CD1 4.31Å; M134-L138 WeakPolarHBondContact O-CB 3.34Å; M134-L138 VanDerWaalsContact O-CG 3.32Å; M134-L138 WeakPolarHBondContact O-CG 3.24Å; M134-L138 PolarHBondContact O-N 3.43Å; M134-P177 HydrophobicContact CB-CB 4.02Å; M134-P177 HydrophobicContact CB-CG 4.05Å; M134-P177 HydrophobicContact CG-CB 4.15Å; M134-P177 HydrophobicContact CG-CG 3.87Å; M134-P177 HydrophobicContact SD-CB 4.07Å; M134-P177 HydrophobicContact SD-CG 4.18Å; M134-T180 HydrophobicContact CE-CG2 3.95Å; M134-T180 HydrophobicContact SD-CG2 3.73Å; M134-V213 HydrophobicContact CE-CG1 3.71Å; M134-V213 HydrophobicContact SD-CG1 4.49Å
135	A	96.5	Very high	94.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.6	-41.8	173.4	0	0	0	0	0	111.2	V131 L132 L138 N139 W174 P177	V131-A135 VanDerWaalsContact O-CB 3.29Å; V131-A135 WeakPolarHBondContact O-CB 3.25Å; V131-A135 PolarHBondContact O-N 2.98Å; L132-A135 PolarHBondContact O-N 2.78Å; A135-L138 PolarHBondContact O-N 3.04Å; A135-N139 WeakPolarHBondContact O-CB 3.37Å; A135-N139 PolarHBondContact O-N 3.49Å; A135-N139 PolarHBondContact O-ND2 3.46Å; A135-W174 HydrophobicContact CB-CE3 4.18Å; A135-W174 HydrophobicContact CB-CZ3 4.19Å; A135-P177 HydrophobicContact CB-CB 4.45Å; A135-P177 HydrophobicContact CB-CG 4.09Å
136	S	96.7	Very high	94.2	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.028	7%	0.065	C	C	.	.	H	α-helix	trans	-61.8	-50.3	176.2	-72.1	0	0	0	0	112.2	L132 C133 M134 L138 N139 L140	L132-S136 WeakPolarHBondContact O-CB 3.46Å; L132-S136 PolarHBondContact O-N 3.39Å; L132-S136 PolarHBondContact O-OG 3.18Å; C133-S136 WeakPolarHBondContact O-CB 3.32Å; C133-S136 PolarHBondContact O-N 2.6Å; M134-S136 VanDerWaalsContact C-N 3.33Å; M134-S136 PolarHBondContact O-N 3.26Å; S136-L138 PolarHBondContact O-N 2.95Å; S136-N139 PolarHBondContact O-N 3.44Å; S136-L140 WeakPolarHBondContact O-CG 3.48Å; S136-L140 PolarHBondContact O-N 3.44Å
137	I	96.2	Very high	94.4	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-66.1	-35.2	179.1	-165	166.9	0	0	0	112.7	C133 M134 L140 C141 F215 P218 F219 I222 F506	C133-I137 PolarHBondContact O-N 2.91Å; M134-I137 VanDerWaalsContact O-CG2 3.31Å; M134-I137 WeakPolarHBondContact O-CG2 3.42Å; M134-I137 PolarHBondContact O-N 3.31Å; I137-L140 CarbonylContact O-C 3.56Å; I137-L140 WeakPolarHBondContact O-CA 3.23Å; I137-L140 WeakPolarHBondContact O-CB 3.34Å; I137-L140 PolarHBondContact O-N 3.03Å; I137-L140 VanDerWaalsContact O-N 3.16Å; I137-C141 PolarHBondContact O-N 3.05Å; I137-C141 PolarHBondContact O-SG 3.4Å; I137-C141 VanDerWaalsContact O-SG 3.38Å; I137-F215 HydrophobicContact CD1-CD2 4.04Å; I137-F215 HydrophobicContact CD1-CE2 4.47Å; I137-P218 HydrophobicContact CD1-CB 3.65Å; I137-P218 HydrophobicContact CG1-CB 3.76Å; I137-P218 HydrophobicContact CG2-CB 4.04Å; I137-P218 HydrophobicContact CG2-CG 4.27Å; I137-F219 HydrophobicContact CD1-CB 4.41Å; I137-I222 HydrophobicContact CD1-CD1 4.5Å; I137-I222 HydrophobicContact CG1-CD1 3.84Å; I137-F506 HydrophobicContact CB-CE1 3.76Å; I137-F506 HydrophobicContact CB-CE2 4.38Å; I137-F506 HydrophobicContact CB-CZ 3.66Å; I137-F506 HydrophobicContact CD1-CD1 4.33Å; I137-F506 HydrophobicContact CD1-CE1 3.69Å; I137-F506 HydrophobicContact CD1-CZ 4.42Å; I137-F506 HydrophobicContact CG1-CD1 4.41Å; I137-F506 HydrophobicContact CG1-CE1 3.9Å; I137-F506 HydrophobicContact CG1-CZ 4.33Å
138	L	96.7	Very high	94.6	Very high	26 Å²	26	14.4 Å²	14.4	14%	0.136	7%	0.074	C	C	.	.	H	α-helix	trans	-70.6	-33.4	175.5	-69.6	-179.9	0	0	0	112.8	M134 A135 S136 L140 C141 C142 A173 L176 P177 P218	M134-L138 HydrophobicContact CE-CD1 4.21Å; M134-L138 HydrophobicContact CG-CD1 4.31Å; M134-L138 WeakPolarHBondContact O-CB 3.34Å; M134-L138 VanDerWaalsContact O-CG 3.32Å; M134-L138 WeakPolarHBondContact O-CG 3.24Å; M134-L138 PolarHBondContact O-N 3.43Å; A135-L138 PolarHBondContact O-N 3.04Å; S136-L138 PolarHBondContact O-N 2.95Å; L138-L140 VanDerWaalsContact C-N 3.3Å; L138-C141 WeakPolarHBondContact O-CB 2.97Å; L138-C141 PolarHBondContact O-N 3.37Å; L138-C142 PolarHBondContact O-N 3.46Å; L138-C142 PolarHBondContact O-SG 3.48Å; L138-A173 HydrophobicContact CB-CB 3.83Å; L138-L176 HydrophobicContact CD1-CB 3.91Å; L138-L176 HydrophobicContact CD1-CD1 4.33Å; L138-P177 HydrophobicContact CD1-CG 3.68Å; L138-P218 HydrophobicContact CD2-CG 4.36Å
139	N	97.5	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-38.1	168	-84.2	-77.6	0	0	0	111.1	S89 L90 A135 S136 C142 I143	S89-N139 WeakPolarHBondContact CB-OD1 3.33Å; S89-N139 PolarHBondContact OG-OD1 2.86Å; L90-N139 HydrophobicContact CB-CB 4.34Å; L90-N139 HydrophobicContact CD1-CB 4.2Å; A135-N139 WeakPolarHBondContact O-CB 3.37Å; A135-N139 PolarHBondContact O-N 3.49Å; A135-N139 PolarHBondContact O-ND2 3.46Å; S136-N139 PolarHBondContact O-N 3.44Å; N139-C142 WeakPolarHBondContact O-CB 3.45Å; N139-C142 PolarHBondContact O-N 3.16Å; N139-I143 VanDerWaalsContact O-CG1 3.31Å; N139-I143 WeakPolarHBondContact O-CG1 3.36Å; N139-I143 PolarHBondContact O-N 2.95Å
140	L	96.2	Very high	94.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-37.2	172.3	-65.7	174.8	0	0	0	112.5	L90 S136 I137 L138 C142 I143 S144 I222 V502 V503 F506	L90-L140 HydrophobicContact CD2-CD2 3.82Å; S136-L140 WeakPolarHBondContact O-CG 3.48Å; S136-L140 PolarHBondContact O-N 3.44Å; I137-L140 CarbonylContact O-C 3.56Å; I137-L140 WeakPolarHBondContact O-CA 3.23Å; I137-L140 WeakPolarHBondContact O-CB 3.34Å; I137-L140 PolarHBondContact O-N 3.03Å; I137-L140 VanDerWaalsContact O-N 3.16Å; L138-L140 VanDerWaalsContact C-N 3.3Å; L140-C142 VanDerWaalsContact C-N 3.34Å; L140-I143 HydrophobicContact CD2-CD1 4.3Å; L140-I143 PolarHBondContact O-N 3.41Å; L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.05Å; L140-S144 PolarHBondContact O-OG 3.25Å; L140-I222 HydrophobicContact CB-CD1 3.84Å; L140-V502 HydrophobicContact CD2-CG1 3.68Å; L140-V503 HydrophobicContact CB-CG2 4.21Å; L140-V503 HydrophobicContact CD2-CG2 3.91Å; L140-V503 HydrophobicContact CG-CG2 4.43Å; L140-F506 HydrophobicContact CD1-CB 3.44Å; L140-F506 VanDerWaalsContact CD1-CB 3.44Å; L140-F506 HydrophobicContact CD1-CD1 4.02Å; L140-F506 HydrophobicContact CD1-CD2 3.65Å; L140-F506 HydrophobicContact CD1-CE2 4.46Å; L140-F506 HydrophobicContact CD1-CG 3.4Å; L140-F506 VanDerWaalsContact CD1-CG 3.4Å
141	C	96.9	Very high	94.4	Very high	14 Å²	14	15 Å²	15	10%	0.095	8%	0.077	C	C	.	.	H	α-helix	trans	-58.6	-45.8	170.2	-69.1	0	0	0	0	111.2	I137 L138 S144 L145 L221 I222	I137-C141 PolarHBondContact O-N 3.05Å; I137-C141 PolarHBondContact O-SG 3.4Å; I137-C141 VanDerWaalsContact O-SG 3.38Å; L138-C141 WeakPolarHBondContact O-CB 2.97Å; L138-C141 PolarHBondContact O-N 3.37Å; C141-S144 PolarHBondContact O-N 3.35Å; C141-L145 WeakPolarHBondContact O-CB 3.39Å; C141-L145 PolarHBondContact O-N 3.48Å; C141-L221 HydrophobicContact CB-CD2 4.49Å; C141-I222 HydrophobicContact CB-CG1 4.42Å; C141-I222 VanDerWaalsContact SG-CG1 3.55Å
142	C	96.5	Very high	94.1	Very high	15 Å²	15	15.8 Å²	15.8	10%	0.101	8%	0.082	C	C	.	.	H	α-helix	trans	-60.7	-46.6	177.8	-67.2	0	0	0	0	111.9	Y86 L138 N139 L140 S144 L145 D146 M169	Y86-C142 HydrophobicContact CD1-CB 3.93Å; Y86-C142 HydrophobicContact CE1-CB 3.98Å; L138-C142 PolarHBondContact O-N 3.46Å; L138-C142 PolarHBondContact O-SG 3.48Å; N139-C142 WeakPolarHBondContact O-CB 3.45Å; N139-C142 PolarHBondContact O-N 3.16Å; L140-C142 VanDerWaalsContact C-N 3.34Å; C142-S144 VanDerWaalsContact C-N 3.35Å; C142-S144 PolarHBondContact O-N 3.17Å; C142-L145 PolarHBondContact O-N 3.12Å; C142-D146 WeakPolarHBondContact O-CB 3.24Å; C142-D146 PolarHBondContact O-N 3.25Å; C142-M169 HydrophobicContact CB-CE 3.86Å
143	I	95	Very high	93.6	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-48.4	174.8	-69.9	168.8	0	0	0	110.3	Y86 L90 N139 L140 L145 D146 R147 L499	Y86-I143 HydrophobicContact CG-CG1 4.29Å; L90-I143 HydrophobicContact CD2-CD1 4.31Å; N139-I143 VanDerWaalsContact O-CG1 3.31Å; N139-I143 WeakPolarHBondContact O-CG1 3.36Å; N139-I143 PolarHBondContact O-N 2.95Å; L140-I143 HydrophobicContact CD2-CD1 4.3Å; L140-I143 PolarHBondContact O-N 3.41Å; I143-L145 PolarHBondContact O-N 2.92Å; I143-D146 PolarHBondContact O-N 3.42Å; I143-R147 HydrophobicContact CG2-CG 4.44Å; I143-R147 WeakPolarHBondContact O-CB 3.41Å; I143-R147 VanDerWaalsContact O-CG 3.27Å; I143-R147 WeakPolarHBondContact O-CG 3.42Å; I143-R147 PolarHBondContact O-N 3.15Å; I143-L499 HydrophobicContact CG2-CB 3.88Å; I143-L499 HydrophobicContact CG2-CD1 3.74Å; I143-L499 HydrophobicContact CG2-CD2 3.82Å; I143-L499 HydrophobicContact CG2-CG 4Å
144	S	95.3	Very high	92.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-45.2	-178.4	-56.4	0	0	0	0	111.6	L140 C141 C142 R147 Y148 I225 Y226	L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.05Å; L140-S144 PolarHBondContact O-OG 3.25Å; C141-S144 PolarHBondContact O-N 3.35Å; C142-S144 VanDerWaalsContact C-N 3.35Å; C142-S144 PolarHBondContact O-N 3.17Å; S144-R147 PolarHBondContact O-N 2.66Å; S144-Y148 WeakPolarHBondContact O-CB 3.48Å; S144-Y148 PolarHBondContact O-N 3.37Å; S144-I225 WeakPolarHBondContact O-CG2 3.47Å; S144-Y226 WeakPolarHBondContact OG-CE2 3.41Å
145	L	94.5	Very high	92	Very high	72 Å²	72	23.5 Å²	23.5	38%	0.377	11%	0.111	S	C	.	.	H	α-helix	trans	-65	-45.1	178.2	-177.5	60.5	0	0	0	111.6	C141 C142 I143 R147 Y148 I149 M169	C141-L145 WeakPolarHBondContact O-CB 3.39Å; C141-L145 PolarHBondContact O-N 3.48Å; C142-L145 PolarHBondContact O-N 3.12Å; I143-L145 PolarHBondContact O-N 2.92Å; L145-R147 VanDerWaalsContact C-N 3.32Å; L145-R147 PolarHBondContact O-N 2.85Å; L145-Y148 HydrophobicContact CD1-CD1 4.46Å; L145-Y148 PolarHBondContact O-N 2.96Å; L145-I149 HydrophobicContact CD1-CD1 4.22Å; L145-I149 HydrophobicContact CD1-CG1 4.41Å; L145-I149 HydrophobicContact CG-CD1 4.05Å; L145-I149 VanDerWaalsContact O-CG1 3.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.37Å; L145-I149 PolarHBondContact O-N 3.38Å; L145-M169 HydrophobicContact CB-CE 4.34Å; L145-M169 HydrophobicContact CD2-CE 3.97Å; L145-M169 HydrophobicContact CG-CE 4.43Å
146	D	93.1	Very high	91.2	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-57.6	-45.5	174.9	175.4	87.4	0	0	0	111.2	Y86 C142 I143 Y148 I149 A150 Y157	Y86-D146 HydrophobicContact CD2-CB 4.39Å; Y86-D146 HydrophobicContact CE2-CB 3.77Å; C142-D146 WeakPolarHBondContact O-CB 3.24Å; C142-D146 PolarHBondContact O-N 3.25Å; I143-D146 PolarHBondContact O-N 3.42Å; D146-Y148 PolarHBondContact O-N 3.35Å; D146-I149 PolarHBondContact O-N 3.35Å; D146-A150 WeakPolarHBondContact O-CB 3.42Å; D146-A150 PolarHBondContact O-N 3.46Å; D146-Y157 WeakPolarHBondContact OD1-CE2 3.41Å; D146-Y157 PolarHBondContact OD1-OH 3.3Å; D146-Y157 VanDerWaalsContact OD1-OH 3.06Å; D146-Y157 PolarHBondContact OD2-OH 3.41Å
147	R	92	Very high	90.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-43.6	175.4	-71	-51.7	92.6	-166.9	-22.6	112.7	I143 S144 L145 A150 I151 Y157 E492 A496 L499	I143-R147 HydrophobicContact CG2-CG 4.44Å; I143-R147 WeakPolarHBondContact O-CB 3.41Å; I143-R147 VanDerWaalsContact O-CG 3.27Å; I143-R147 WeakPolarHBondContact O-CG 3.42Å; I143-R147 PolarHBondContact O-N 3.15Å; S144-R147 PolarHBondContact O-N 2.66Å; L145-R147 VanDerWaalsContact C-N 3.32Å; L145-R147 PolarHBondContact O-N 2.85Å; R147-A150 PolarHBondContact O-N 3.21Å; R147-I151 WeakPolarHBondContact O-CB 3.41Å; R147-I151 WeakPolarHBondContact O-CG1 3.27Å; R147-I151 PolarHBondContact O-N 2.9Å; R147-Y157 PolarHBondContact NH2-OH 3.29Å; R147-E492 IonicContact CZ-OE2 2.66Å; R147-E492 VanDerWaalsContact CZ-OE2 3.31Å; R147-E492 IonicContact NH1-OE2 2.85Å; R147-E492 PolarHBondContact NH1-OE2 3.41Å; R147-E492 IonicContact NH2-OE2 4Å; R147-E492 PolarHBondContact NH2-OE2 3.11Å; R147-E492 VanDerWaalsContact NH2-OE2 3.15Å; R147-A496 HydrophobicContact CB-CB 4.43Å; R147-A496 HydrophobicContact CG-CB 4.33Å; R147-L499 VanDerWaalsContact CD-CD1 3.47Å; R147-L499 HydrophobicContact CG-CD1 3.67Å
148	Y	92.3	Very high	89.6	Confident	65 Å²	65	31.5 Å²	31.5	26%	0.255	15%	0.145	S	C	.	.	H	α-helix	trans	-60.9	-45.8	177.1	170.6	-103.8	0	0	0	112.2	S144 L145 D146 I151 S152 I225 R228 V229 I232	S144-Y148 WeakPolarHBondContact O-CB 3.48Å; S144-Y148 PolarHBondContact O-N 3.37Å; L145-Y148 HydrophobicContact CD1-CD1 4.46Å; L145-Y148 PolarHBondContact O-N 2.96Å; D146-Y148 PolarHBondContact O-N 3.35Å; Y148-I151 PolarHBondContact O-N 2.9Å; Y148-S152 WeakPolarHBondContact CD2-OG 3.47Å; Y148-S152 WeakPolarHBondContact CE2-OG 3.36Å; Y148-S152 WeakPolarHBondContact O-CB 3.37Å; Y148-S152 PolarHBondContact O-N 3.24Å; Y148-S152 PolarHBondContact O-OG 2.9Å; Y148-I225 HydrophobicContact CG-CG2 4.26Å; Y148-R228 HydrophobicContact CD2-CB 4.05Å; Y148-R228 HydrophobicContact CE2-CB 3.73Å; Y148-V229 HydrophobicContact CD2-CG2 4.03Å; Y148-V229 HydrophobicContact CG-CG2 4.49Å; Y148-I232 HydrophobicContact CD2-CD1 4.32Å; Y148-I232 HydrophobicContact CE2-CD1 3.71Å
149	I	91.5	Very high	88.6	Confident	70 Å²	70	33.3 Å²	33.3	36%	0.359	16%	0.157	S	C	.	.	H	α-helix	trans	-65.1	-44.5	179.3	-61.2	165.3	0	0	0	110.3	L145 D146 I151 S152 R153 Y157	L145-I149 HydrophobicContact CD1-CD1 4.22Å; L145-I149 HydrophobicContact CD1-CG1 4.41Å; L145-I149 HydrophobicContact CG-CD1 4.05Å; L145-I149 VanDerWaalsContact O-CG1 3.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.37Å; L145-I149 PolarHBondContact O-N 3.38Å; D146-I149 PolarHBondContact O-N 3.35Å; I149-I151 PolarHBondContact O-N 2.67Å; I149-S152 PolarHBondContact O-N 3.46Å; I149-R153 PolarHBondContact O-N 2.69Å; I149-Y157 HydrophobicContact CB-CD2 4.25Å; I149-Y157 HydrophobicContact CG2-CD2 3.84Å
150	A	89.9	Confident	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-44.3	178.7	0	0	0	0	0	112.7	D146 R147 P154 Y157 E492	D146-A150 WeakPolarHBondContact O-CB 3.42Å; D146-A150 PolarHBondContact O-N 3.46Å; R147-A150 PolarHBondContact O-N 3.21Å; A150-P154 VanDerWaalsContact O-CA 3.3Å; A150-P154 WeakPolarHBondContact O-CA 3.34Å; A150-Y157 HydrophobicContact CB-CD1 3.79Å; A150-Y157 HydrophobicContact CB-CD2 3.93Å; A150-Y157 HydrophobicContact CB-CE1 3.61Å; A150-Y157 HydrophobicContact CB-CE2 3.75Å; A150-Y157 HydrophobicContact CB-CG 3.92Å; A150-E492 HydrophobicContact CB-CG 4.47Å
151	I	88.6	Confident	87.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-78.8	-37.4	-177.9	-70.2	176.3	0	0	0	111.7	R147 Y148 I149 V229 I232 I233 R236 F489 E492 A496	R147-I151 WeakPolarHBondContact O-CB 3.41Å; R147-I151 WeakPolarHBondContact O-CG1 3.27Å; R147-I151 PolarHBondContact O-N 2.9Å; Y148-I151 PolarHBondContact O-N 2.9Å; I149-I151 PolarHBondContact O-N 2.67Å; I151-V229 HydrophobicContact CD1-CG1 3.69Å; I151-I232 HydrophobicContact CG2-CG2 3.91Å; I151-I233 HydrophobicContact CD1-CD1 4.29Å; I151-I233 HydrophobicContact CG2-CG1 4.06Å; I151-R236 PolarHBondContact O-NH2 2.68Å; I151-F489 HydrophobicContact CG2-CD2 4.34Å; I151-F489 HydrophobicContact CG2-CE2 3.81Å; I151-E492 HydrophobicContact CG1-CB 4.29Å; I151-A496 HydrophobicContact CD1-CB 3.41Å; I151-A496 VanDerWaalsContact CD1-CB 3.41Å
152	S	87.5	Confident	86.9	Confident	22 Å²	22	45 Å²	45	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-42.6	-178.8	-60.8	0	0	0	0	111.8	Y148 I149 I232 R236	Y148-S152 WeakPolarHBondContact CD2-OG 3.47Å; Y148-S152 WeakPolarHBondContact CE2-OG 3.36Å; Y148-S152 WeakPolarHBondContact O-CB 3.37Å; Y148-S152 PolarHBondContact O-N 3.24Å; Y148-S152 PolarHBondContact O-OG 2.9Å; I149-S152 PolarHBondContact O-N 3.46Å; S152-I232 WeakPolarHBondContact OG-CD1 3.12Å; S152-R236 PolarHBondContact O-NH2 3.11Å
153	R	84.9	Confident	86.6	Confident	164 Å²	164	51 Å²	51	62%	0.619	23%	0.231	S	C	*	.			trans	-140.7	64.5	-170	-58.6	178.3	-179.4	173.3	1.2	111.3	I149 M155 K156 Y157	I149-R153 PolarHBondContact O-N 2.69Å; R153-M155 PolarHBondContact O-N 2.95Å; R153-K156 HydrophobicContact CB-CB 4.12Å; R153-K156 PolarHBondContact O-N 3.5Å; R153-K156 VanDerWaalsContact O-N 3.16Å; R153-Y157 VanDerWaalsContact O-CB 3.3Å; R153-Y157 WeakPolarHBondContact O-CB 3.35Å; R153-Y157 PolarHBondContact O-N 3Å
154	P	79.3	Confident	86.5	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-50.7	-53.3	-174.3	22.3	-37.3	0	0	0	113.3	A150 K156 Y157 F158 D485 I488	A150-P154 VanDerWaalsContact O-CA 3.3Å; A150-P154 WeakPolarHBondContact O-CA 3.34Å; P154-K156 PolarHBondContact O-N 3.31Å; P154-Y157 WeakPolarHBondContact O-CB 3.48Å; P154-Y157 PolarHBondContact O-N 3.47Å; P154-Y157 VanDerWaalsContact O-N 3.11Å; P154-F158 VanDerWaalsContact O-CD2 3.24Å; P154-F158 WeakPolarHBondContact O-CD2 3.39Å; P154-F158 PolarHBondContact O-N 2.96Å; P154-D485 WeakPolarHBondContact CG-OD1 3.24Å; P154-I488 HydrophobicContact CB-CG2 3.73Å
155	M	74.1	Confident	86.4	Confident	22 Å²	22	61.2 Å²	61.2	11%	0.108	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-38.2	-178.4	-61.6	-59.7	110.1	0	0	114	R153 Y157 T159 Y481 D485 I488	R153-M155 PolarHBondContact O-N 2.95Å; M155-Y157 VanDerWaalsContact C-N 3.34Å; M155-T159 PolarHBondContact O-N 3.36Å; M155-T159 PolarHBondContact O-OG1 2.88Å; M155-Y481 HydrophobicContact CB-CE2 4.34Å; M155-Y481 HydrophobicContact CG-CE2 3.54Å; M155-Y481 WeakPolarHBondContact CG-OH 3.39Å; M155-Y481 HydrophobicContact SD-CE2 4.16Å; M155-D485 HydrophobicContact CE-CB 4.25Å; M155-I488 HydrophobicContact CE-CB 4.38Å; M155-I488 HydrophobicContact CE-CD1 3.54Å; M155-I488 HydrophobicContact CE-CG1 4.47Å; M155-I488 HydrophobicContact CE-CG2 4.5Å
156	K	80.3	Confident	86.4	Confident	123 Å²	123	57.8 Å²	57.8	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-72.1	-32.4	176.1	-65.4	-173.5	177.1	-177.6	0	111.6	R153 P154 T159 K160	R153-K156 HydrophobicContact CB-CB 4.12Å; R153-K156 PolarHBondContact O-N 3.5Å; R153-K156 VanDerWaalsContact O-N 3.16Å; P154-K156 PolarHBondContact O-N 3.31Å; K156-T159 WeakPolarHBondContact CA-OG1 3.24Å; K156-T159 PolarHBondContact O-OG1 2.92Å; K156-T159 VanDerWaalsContact O-OG1 3.06Å; K156-K160 WeakPolarHBondContact O-CB 3.49Å; K156-K160 WeakPolarHBondContact O-CG 3.24Å; K156-K160 PolarHBondContact O-N 3.37Å
157	Y	83.7	Confident	86.5	Confident	8 Å²	8	60.2 Å²	60.2	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-46.9	177.2	171.1	-100.5	0	0	0	111.6	D146 R147 I149 A150 R153 P154 M155 T159 K160 R161	D146-Y157 WeakPolarHBondContact OD1-CE2 3.41Å; D146-Y157 PolarHBondContact OD1-OH 3.3Å; D146-Y157 VanDerWaalsContact OD1-OH 3.06Å; D146-Y157 PolarHBondContact OD2-OH 3.41Å; R147-Y157 PolarHBondContact NH2-OH 3.29Å; I149-Y157 HydrophobicContact CB-CD2 4.25Å; I149-Y157 HydrophobicContact CG2-CD2 3.84Å; A150-Y157 HydrophobicContact CB-CD1 3.79Å; A150-Y157 HydrophobicContact CB-CD2 3.93Å; A150-Y157 HydrophobicContact CB-CE1 3.61Å; A150-Y157 HydrophobicContact CB-CE2 3.75Å; A150-Y157 HydrophobicContact CB-CG 3.92Å; R153-Y157 VanDerWaalsContact O-CB 3.3Å; R153-Y157 WeakPolarHBondContact O-CB 3.35Å; R153-Y157 PolarHBondContact O-N 3Å; P154-Y157 WeakPolarHBondContact O-CB 3.48Å; P154-Y157 PolarHBondContact O-N 3.47Å; P154-Y157 VanDerWaalsContact O-N 3.11Å; M155-Y157 VanDerWaalsContact C-N 3.34Å; Y157-T159 VanDerWaalsContact C-N 3.28Å; Y157-T159 PolarHBondContact O-N 3.41Å; Y157-K160 PolarHBondContact O-N 3.39Å; Y157-R161 HydrophobicContact CD2-CB 4.29Å; Y157-R161 HydrophobicContact CE2-CB 4.25Å; Y157-R161 VanDerWaalsContact CE2-CD 3.49Å; Y157-R161 HydrophobicContact CE2-CG 4.23Å; Y157-R161 WeakPolarHBondContact O-CB 3.35Å; Y157-R161 PolarHBondContact O-N 3.01Å; Y157-R161 VanDerWaalsContact OH-CD 3.25Å; Y157-R161 WeakPolarHBondContact OH-CD 3.32Å; Y157-R161 PolarHBondContact OH-NE 3.44Å; Y157-R161 PolarHBondContact OH-NH1 3.28Å
158	F	76.4	Confident	86.7	Confident	43 Å²	43	63.2 Å²	63.2	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-32.1	178.4	-81	-84.1	0	0	0	113.5	P154 I488	P154-F158 VanDerWaalsContact O-CD2 3.24Å; P154-F158 WeakPolarHBondContact O-CD2 3.39Å; P154-F158 PolarHBondContact O-N 2.96Å; F158-I488 HydrophobicContact CD2-CD1 4.18Å; F158-I488 HydrophobicContact CD2-CG2 4.08Å; F158-I488 HydrophobicContact CE2-CB 4.47Å; F158-I488 HydrophobicContact CE2-CD1 4.06Å; F158-I488 HydrophobicContact CE2-CG1 4.42Å; F158-I488 HydrophobicContact CE2-CG2 3.29Å; F158-I488 HydrophobicContact CZ-CD1 4.5Å; F158-I488 HydrophobicContact CZ-CG2 4.01Å
159	T	75.9	Confident	86.9	Confident	63 Å²	63	62.4 Å²	62.4	39%	0.387	30%	0.298	S	S	.	.	H	α-helix	trans	-82.7	-32.7	-178.8	47	0	0	0	0	113.6	M155 K156 Y157 I348	M155-T159 PolarHBondContact O-N 3.36Å; M155-T159 PolarHBondContact O-OG1 2.88Å; K156-T159 WeakPolarHBondContact CA-OG1 3.24Å; K156-T159 PolarHBondContact O-OG1 2.92Å; K156-T159 VanDerWaalsContact O-OG1 3.06Å; Y157-T159 VanDerWaalsContact C-N 3.28Å; Y157-T159 PolarHBondContact O-N 3.41Å; T159-I348 HydrophobicContact CG2-CD1 4.37Å
160	K	79	Confident	87.2	Confident	163 Å²	163	60.3 Å²	60.3	71%	0.709	29%	0.288	S	S	*	.	H	α-helix	trans	-100.1	-23.5	-175.7	-66.1	-164.3	172.8	-159.3	0	115.2	K156 Y157 T162	K156-K160 WeakPolarHBondContact O-CB 3.49Å; K156-K160 WeakPolarHBondContact O-CG 3.24Å; K156-K160 PolarHBondContact O-N 3.37Å; Y157-K160 PolarHBondContact O-N 3.39Å; K160-T162 PolarHBondContact O-N 3.07Å
161	R	83.8	Confident	87.5	Confident	39 Å²	39	62.3 Å²	62.3	15%	0.147	30%	0.304	C	S	.	.			trans	-69.9	121.1	-176.9	-178.3	-174.1	52.5	159.1	-2.6	110.2	I82 Y157	I82-R161 HydrophobicContact CB-CG 4.41Å; I82-R161 HydrophobicContact CD1-CG 3.78Å; I82-R161 HydrophobicContact CG2-CG 3.93Å; Y157-R161 HydrophobicContact CD2-CB 4.29Å; Y157-R161 HydrophobicContact CE2-CB 4.25Å; Y157-R161 VanDerWaalsContact CE2-CD 3.49Å; Y157-R161 HydrophobicContact CE2-CG 4.23Å; Y157-R161 WeakPolarHBondContact O-CB 3.35Å; Y157-R161 PolarHBondContact O-N 3.01Å; Y157-R161 VanDerWaalsContact OH-CD 3.25Å; Y157-R161 WeakPolarHBondContact OH-CD 3.32Å; Y157-R161 PolarHBondContact OH-NE 3.44Å; Y157-R161 PolarHBondContact OH-NH1 3.28Å
162	T	90.9	Very high	87.9	Confident	60 Å²	60	65.8 Å²	65.8	37%	0.368	33%	0.325	S	S	.	.			trans	-119.8	160.9	176.5	68.5	0	0	0	0	111.2	K160 F164 T165 A166	K160-T162 PolarHBondContact O-N 3.07Å; T162-F164 PolarHBondContact O-N 2.85Å; T162-T165 PolarHBondContact N-OG1 3.45Å; T162-T165 PolarHBondContact O-N 3.25Å; T162-T165 PolarHBondContact O-OG1 3.1Å; T162-T165 WeakPolarHBondContact OG1-CG2 3.45Å; T162-T165 PolarHBondContact OG1-N 3.46Å; T162-T165 VanDerWaalsContact OG1-N 3.14Å; T162-T165 PolarHBondContact OG1-OG1 3.06Å; T162-T165 VanDerWaalsContact OG1-OG1 3.13Å; T162-A166 PolarHBondContact O-N 3.02Å
163	R	90.7	Very high	88.4	Confident	141 Å²	141	64.9 Å²	64.9	53%	0.532	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-33.7	171.3	-75.3	-177	175	172.2	-0.5	111.7	R80 I82 A166 S167	R80-R163 PolarHBondContact O-NH2 3.3Å; R80-R163 VanDerWaalsContact O-NH2 3.09Å; I82-R163 HydrophobicContact CD1-CG 4.36Å; I82-R163 HydrophobicContact CG1-CG 3.84Å; R163-A166 PolarHBondContact O-N 2.97Å; R163-S167 WeakPolarHBondContact O-CB 3.27Å; R163-S167 PolarHBondContact O-N 2.68Å; R163-S167 PolarHBondContact O-OG 3.44Å
164	F	92.8	Very high	89	Confident	158 Å²	158	59.4 Å²	59.4	69%	0.693	30%	0.298	S	S	*	.	H	α-helix	trans	-60.7	-52.7	177.3	-176.7	-100.2	0	0	0	111	T162 A166 S167 T168	T162-F164 PolarHBondContact O-N 2.85Å; F164-A166 VanDerWaalsContact C-N 3.26Å; F164-A166 PolarHBondContact O-N 3.4Å; F164-S167 PolarHBondContact O-N 3.38Å; F164-T168 PolarHBondContact O-N 3.43Å; F164-T168 PolarHBondContact O-OG1 2.69Å; F164-T168 VanDerWaalsContact O-OG1 3.09Å
165	T	92.5	Very high	89.8	Confident	61 Å²	61	63.8 Å²	63.8	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-38.7	178.4	49.5	0	0	0	0	112.9	T162 M169	T162-T165 PolarHBondContact N-OG1 3.45Å; T162-T165 PolarHBondContact O-N 3.25Å; T162-T165 PolarHBondContact O-OG1 3.1Å; T162-T165 WeakPolarHBondContact OG1-CG2 3.45Å; T162-T165 PolarHBondContact OG1-N 3.46Å; T162-T165 VanDerWaalsContact OG1-N 3.14Å; T162-T165 PolarHBondContact OG1-OG1 3.06Å; T162-T165 VanDerWaalsContact OG1-OG1 3.13Å; T165-M169 WeakPolarHBondContact O-CG 3.48Å; T165-M169 PolarHBondContact O-N 3.2Å; T165-M169 VanDerWaalsContact O-N 3.14Å
166	A	94.3	Very high	90.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-70.1	-39.6	177.4	0	0	0	0	0	112.5	I82 Y86 T162 R163 F164 T168 M169 I170	I82-A166 HydrophobicContact CG2-CB 3.44Å; I82-A166 VanDerWaalsContact CG2-CB 3.44Å; Y86-A166 HydrophobicContact CE1-CB 4.08Å; Y86-A166 HydrophobicContact CE2-CB 4.25Å; Y86-A166 WeakPolarHBondContact OH-CA 3.22Å; Y86-A166 WeakPolarHBondContact OH-CB 3.36Å; T162-A166 PolarHBondContact O-N 3.02Å; R163-A166 PolarHBondContact O-N 2.97Å; F164-A166 VanDerWaalsContact C-N 3.26Å; F164-A166 PolarHBondContact O-N 3.4Å; A166-T168 VanDerWaalsContact C-N 3.34Å; A166-M169 PolarHBondContact O-N 2.86Å; A166-I170 WeakPolarHBondContact O-CG1 3.31Å; A166-I170 PolarHBondContact O-N 3.46Å
167	S	95.5	Very high	91.4	Very high	57 Å²	57	60.8 Å²	60.8	40%	0.399	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-38.5	177.4	-53.8	0	0	0	0	111.3	R163 F164 I170 A171	R163-S167 WeakPolarHBondContact O-CB 3.27Å; R163-S167 PolarHBondContact O-N 2.68Å; R163-S167 PolarHBondContact O-OG 3.44Å; F164-S167 PolarHBondContact O-N 3.38Å; S167-I170 PolarHBondContact O-N 2.99Å; S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 3.13Å
168	T	96.2	Very high	91.8	Very high	66 Å²	66	64.5 Å²	64.5	41%	0.405	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-45.6	173.1	-51.5	0	0	0	0	111.7	F164 A166 I170 A171 V172	F164-T168 PolarHBondContact O-N 3.43Å; F164-T168 PolarHBondContact O-OG1 2.69Å; F164-T168 VanDerWaalsContact O-OG1 3.09Å; A166-T168 VanDerWaalsContact C-N 3.34Å; T168-I170 VanDerWaalsContact C-N 3.35Å; T168-I170 PolarHBondContact O-N 3.17Å; T168-A171 PolarHBondContact O-N 3.12Å; T168-V172 WeakPolarHBondContact O-CG2 3.32Å; T168-V172 PolarHBondContact O-N 3.19Å
169	M	96.5	Very high	92.4	Very high	47 Å²	47	67 Å²	67	23%	0.232	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-44	176.2	-72.9	175.5	59.7	0	0	111.9	Y86 C142 L145 T165 A166 V172 A173	Y86-M169 HydrophobicContact CE1-CB 4.15Å; Y86-M169 HydrophobicContact CE1-CE 4.31Å; Y86-M169 PolarHBondContact OH-SD 3.01Å; Y86-M169 VanDerWaalsContact OH-SD 3.37Å; C142-M169 HydrophobicContact CB-CE 3.86Å; L145-M169 HydrophobicContact CB-CE 4.34Å; L145-M169 HydrophobicContact CD2-CE 3.97Å; L145-M169 HydrophobicContact CG-CE 4.43Å; T165-M169 WeakPolarHBondContact O-CG 3.48Å; T165-M169 PolarHBondContact O-N 3.2Å; T165-M169 VanDerWaalsContact O-N 3.14Å; A166-M169 PolarHBondContact O-N 2.86Å; M169-V172 PolarHBondContact O-N 3.36Å; M169-A173 PolarHBondContact O-N 2.97Å
170	I	97.8	Very high	92.6	Very high	27 Å²	27	65.3 Å²	65.3	14%	0.138	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-46.3	175.4	-71	166.4	0	0	0	110.7	Q85 Y86 S89 A166 S167 T168 V172 A173 W174	Q85-I170 HydrophobicContact CB-CD1 4.08Å; Y86-I170 HydrophobicContact CD1-CD1 3.88Å; Y86-I170 HydrophobicContact CD1-CG1 3.66Å; Y86-I170 HydrophobicContact CE1-CD1 4.27Å; Y86-I170 HydrophobicContact CE1-CG1 3.97Å; S89-I170 WeakPolarHBondContact OG-CG2 3.29Å; A166-I170 WeakPolarHBondContact O-CG1 3.31Å; A166-I170 PolarHBondContact O-N 3.46Å; S167-I170 PolarHBondContact O-N 2.99Å; T168-I170 VanDerWaalsContact C-N 3.35Å; T168-I170 PolarHBondContact O-N 3.17Å; I170-V172 VanDerWaalsContact C-N 3.31Å; I170-V172 PolarHBondContact O-N 2.89Å; I170-A173 WeakPolarHBondContact O-CA 3.49Å; I170-A173 WeakPolarHBondContact O-CB 3.47Å; I170-A173 PolarHBondContact O-N 3.42Å; I170-W174 VanDerWaalsContact O-CD1 3.23Å; I170-W174 PolarHBondContact O-N 3.12Å; I170-W174 VanDerWaalsContact O-N 3.12Å
171	A	97.7	Very high	92.5	Very high	41 Å²	41	59.2 Å²	59.2	34%	0.339	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-43.9	178.5	0	0	0	0	0	111.6	S167 T168 A173 W174 I175	S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 3.13Å; T168-A171 PolarHBondContact O-N 3.12Å; A171-A173 VanDerWaalsContact C-N 3.33Å; A171-A173 PolarHBondContact O-N 2.98Å; A171-W174 PolarHBondContact O-N 3.42Å; A171-I175 HydrophobicContact CB-CD1 4.4Å; A171-I175 WeakPolarHBondContact O-CB 3.18Å; A171-I175 VanDerWaalsContact O-CG1 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.5Å; A171-I175 PolarHBondContact O-N 3.02Å
172	V	96.8	Very high	92.1	Very high	74 Å²	74	62.4 Å²	62.4	45%	0.448	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-41.8	174.1	172.7	0	0	0	0	111.4	T168 M169 I170 W174 I175 L176	T168-V172 WeakPolarHBondContact O-CG2 3.32Å; T168-V172 PolarHBondContact O-N 3.19Å; M169-V172 PolarHBondContact O-N 3.36Å; I170-V172 VanDerWaalsContact C-N 3.31Å; I170-V172 PolarHBondContact O-N 2.89Å; V172-W174 PolarHBondContact O-N 3.41Å; V172-I175 PolarHBondContact O-N 3.12Å; V172-L176 HydrophobicContact CG1-CD1 3.55Å; V172-L176 HydrophobicContact CG1-CG 3.98Å; V172-L176 WeakPolarHBondContact O-CB 3.49Å; V172-L176 WeakPolarHBondContact O-CG 3.37Å; V172-L176 PolarHBondContact O-N 3.13Å
173	A	97	Very high	91.1	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-19.3	178.2	0	0	0	0	0	114.2	L138 M169 I170 A171 P177	L138-A173 HydrophobicContact CB-CB 3.83Å; M169-A173 PolarHBondContact O-N 2.97Å; I170-A173 WeakPolarHBondContact O-CA 3.49Å; I170-A173 WeakPolarHBondContact O-CB 3.47Å; I170-A173 PolarHBondContact O-N 3.42Å; A171-A173 VanDerWaalsContact C-N 3.33Å; A171-A173 PolarHBondContact O-N 2.98Å; A173-P177 WeakPolarHBondContact O-CD 3.36Å; A173-P177 WeakPolarHBondContact O-CG 3.22Å
174	W	97.6	Very high	89.7	Confident	49 Å²	49	57 Å²	57	19%	0.186	31%	0.307	C	S	.	.	H	α-helix	trans	-97	-40.3	174	-76.7	100.6	0	0	0	113	S89 V92 A93 L96 L132 A135 I170 A171 V172 P177 L178	S89-W174 PolarHBondContact OG-NE1 2.65Å; V92-W174 HydrophobicContact CB-CZ2 4.27Å; V92-W174 HydrophobicContact CG1-CH2 4.08Å; V92-W174 HydrophobicContact CG1-CZ2 3.96Å; A93-W174 HydrophobicContact CB-CH2 3.78Å; A93-W174 HydrophobicContact CB-CZ2 4.03Å; L96-W174 HydrophobicContact CD1-CH2 3.89Å; L96-W174 HydrophobicContact CD1-CZ3 4.05Å; L132-W174 HydrophobicContact CD2-CZ3 4.26Å; A135-W174 HydrophobicContact CB-CE3 4.18Å; A135-W174 HydrophobicContact CB-CZ3 4.19Å; I170-W174 VanDerWaalsContact O-CD1 3.23Å; I170-W174 PolarHBondContact O-N 3.12Å; I170-W174 VanDerWaalsContact O-N 3.12Å; A171-W174 PolarHBondContact O-N 3.42Å; V172-W174 PolarHBondContact O-N 3.41Å; W174-P177 WeakPolarHBondContact O-CD 3.43Å; W174-L178 WeakPolarHBondContact O-CB 3.42Å; W174-L178 WeakPolarHBondContact O-CD1 3.47Å; W174-L178 WeakPolarHBondContact O-CG 3.19Å; W174-L178 PolarHBondContact O-N 3.31Å
175	I	96.1	Very high	88.3	Confident	95 Å²	95	55 Å²	55	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-43.7	-178.6	-68.3	165.7	0	0	0	110.8	A171 V172 L178 I179	A171-I175 HydrophobicContact CB-CD1 4.4Å; A171-I175 WeakPolarHBondContact O-CB 3.18Å; A171-I175 VanDerWaalsContact O-CG1 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.5Å; A171-I175 PolarHBondContact O-N 3.02Å; V172-I175 PolarHBondContact O-N 3.12Å; I175-L178 PolarHBondContact O-N 3.27Å; I175-I179 HydrophobicContact CG2-CD1 3.82Å; I175-I179 HydrophobicContact CG2-CG1 4.33Å; I175-I179 WeakPolarHBondContact O-CG1 3.39Å; I175-I179 PolarHBondContact O-N 3.34Å
176	L	93.5	Very high	87	Confident	82 Å²	82	58.2 Å²	58.2	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-48	-178.5	-71.4	176.4	0	0	0	112.9	L138 V172 I179 T180	L138-L176 HydrophobicContact CD1-CB 3.91Å; L138-L176 HydrophobicContact CD1-CD1 4.33Å; V172-L176 HydrophobicContact CG1-CD1 3.55Å; V172-L176 HydrophobicContact CG1-CG 3.98Å; V172-L176 WeakPolarHBondContact O-CB 3.49Å; V172-L176 WeakPolarHBondContact O-CG 3.37Å; V172-L176 PolarHBondContact O-N 3.13Å; L176-I179 PolarHBondContact O-N 3.19Å; L176-T180 PolarHBondContact O-N 2.93Å
177	P	93.9	Very high	85.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-40.7	171.9	-26.1	36.4	0	0	0	113.9	V131 M134 A135 L138 A173 W174 I179 T180 M181	V131-P177 HydrophobicContact CB-CB 4.42Å; V131-P177 HydrophobicContact CG1-CB 3.84Å; V131-P177 VanDerWaalsContact CG2-O 3.26Å; V131-P177 WeakPolarHBondContact CG2-O 3.37Å; V131-P177 WeakPolarHBondContact O-CB 3.35Å; M134-P177 HydrophobicContact CB-CB 4.02Å; M134-P177 HydrophobicContact CB-CG 4.05Å; M134-P177 HydrophobicContact CG-CB 4.15Å; M134-P177 HydrophobicContact CG-CG 3.87Å; M134-P177 HydrophobicContact SD-CB 4.07Å; M134-P177 HydrophobicContact SD-CG 4.18Å; A135-P177 HydrophobicContact CB-CB 4.45Å; A135-P177 HydrophobicContact CB-CG 4.09Å; L138-P177 HydrophobicContact CD1-CG 3.68Å; A173-P177 WeakPolarHBondContact O-CD 3.36Å; A173-P177 WeakPolarHBondContact O-CG 3.22Å; W174-P177 WeakPolarHBondContact O-CD 3.43Å; P177-I179 PolarHBondContact O-N 3.47Å; P177-T180 PolarHBondContact O-N 3.37Å; P177-T180 PolarHBondContact O-OG1 3.27Å; P177-M181 PolarHBondContact O-N 3.37Å
178	L	92.6	Very high	83.5	Confident	86 Å²	86	60 Å²	60	45%	0.45	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-30.6	179.7	-72.5	168.9	0	0	0	112.2	V131 W174 I175 M181	V131-L178 HydrophobicContact CG1-CD2 4.07Å; W174-L178 WeakPolarHBondContact O-CB 3.42Å; W174-L178 WeakPolarHBondContact O-CD1 3.47Å; W174-L178 WeakPolarHBondContact O-CG 3.19Å; W174-L178 PolarHBondContact O-N 3.31Å; I175-L178 PolarHBondContact O-N 3.27Å; L178-M181 HydrophobicContact CD2-SD 4.03Å; L178-M181 WeakPolarHBondContact O-CB 3.07Å; L178-M181 PolarHBondContact O-N 3.18Å
179	I	88.3	Confident	81.8	Confident	95 Å²	95	63.4 Å²	63.4	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-40.3	172.3	-67.5	164.2	0	0	0	111.1	I175 L176 P177 M181 L182	I175-I179 HydrophobicContact CG2-CD1 3.82Å; I175-I179 HydrophobicContact CG2-CG1 4.33Å; I175-I179 WeakPolarHBondContact O-CG1 3.39Å; I175-I179 PolarHBondContact O-N 3.34Å; L176-I179 PolarHBondContact O-N 3.19Å; P177-I179 PolarHBondContact O-N 3.47Å; I179-M181 PolarHBondContact O-N 2.99Å; I179-L182 WeakPolarHBondContact O-CB 3.38Å; I179-L182 PolarHBondContact O-N 2.79Å
180	T	80.8	Confident	80.3	Confident	28 Å²	28	62.5 Å²	62.5	17%	0.172	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-25.2	177.5	69.4	0	0	0	0	112	M134 L176 P177 L182 L183 P184	M134-T180 HydrophobicContact CE-CG2 3.95Å; M134-T180 HydrophobicContact SD-CG2 3.73Å; L176-T180 PolarHBondContact O-N 2.93Å; P177-T180 PolarHBondContact O-N 3.37Å; P177-T180 PolarHBondContact O-OG1 3.27Å; T180-L182 VanDerWaalsContact C-N 3.28Å; T180-L182 PolarHBondContact O-N 3.27Å; T180-L183 PolarHBondContact O-N 2.99Å; T180-P184 WeakPolarHBondContact O-CD 3.14Å
181	M	78.1	Confident	78.8	Confident	35 Å²	35	61.6 Å²	61.6	17%	0.172	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-31.8	171.6	-132.8	170.2	-170.6	0	0	113.6	A128 V131 P177 L178 I179 P184 F185	A128-M181 HydrophobicContact CB-CE 3.97Å; A128-M181 VanDerWaalsContact N-CE 3.34Å; V131-M181 HydrophobicContact CB-CE 4.1Å; V131-M181 HydrophobicContact CB-CG 4.34Å; V131-M181 HydrophobicContact CB-SD 4.04Å; V131-M181 HydrophobicContact CG1-CE 4.48Å; V131-M181 HydrophobicContact CG1-SD 4.03Å; V131-M181 HydrophobicContact CG2-CB 3.61Å; V131-M181 HydrophobicContact CG2-CE 4.05Å; V131-M181 HydrophobicContact CG2-CG 3.35Å; V131-M181 HydrophobicContact CG2-SD 3.65Å; P177-M181 PolarHBondContact O-N 3.37Å; L178-M181 HydrophobicContact CD2-SD 4.03Å; L178-M181 WeakPolarHBondContact O-CB 3.07Å; L178-M181 PolarHBondContact O-N 3.18Å; I179-M181 PolarHBondContact O-N 2.99Å; M181-P184 WeakPolarHBondContact O-CD 3.33Å; M181-F185 WeakPolarHBondContact O-CD2 3.22Å; M181-F185 WeakPolarHBondContact O-CE2 3.41Å
182	L	75.3	Confident	77.2	Confident	107 Å²	107	61.7 Å²	61.7	56%	0.56	35%	0.348	S	S	*	.	H	α-helix	trans	-75.5	-27	-179.6	-62	173.9	0	0	0	112.1	I179 T180 F185 V186	I179-L182 WeakPolarHBondContact O-CB 3.38Å; I179-L182 PolarHBondContact O-N 2.79Å; T180-L182 VanDerWaalsContact C-N 3.28Å; T180-L182 PolarHBondContact O-N 3.27Å; L182-F185 PolarHBondContact O-N 2.94Å; L182-V186 WeakPolarHBondContact O-CG2 3.36Å; L182-V186 PolarHBondContact O-N 2.97Å; L182-V186 VanDerWaalsContact O-N 3.13Å
183	L	69.4	Low	75.7	Confident	74 Å²	74	60.8 Å²	60.8	39%	0.387	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-42.3	-175.6	-161.7	69.5	0	0	0	113	T180 F185 V186 G187 Q190 Y209	T180-L183 PolarHBondContact O-N 2.99Å; L183-F185 VanDerWaalsContact C-N 3.26Å; L183-F185 PolarHBondContact O-N 3.4Å; L183-V186 PolarHBondContact O-N 3.16Å; L183-G187 PolarHBondContact O-N 3.27Å; L183-G187 VanDerWaalsContact O-N 3.09Å; L183-Q190 PolarHBondContact O-NE2 3.48Å; L183-Y209 HydrophobicContact CD2-CE1 3.82Å
184	P	60.2	Low	73.9	Confident	12 Å²	12	62.5 Å²	62.5	8%	0.078	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-31.3	169.9	-22.8	26.1	0	0	0	115.2	T180 M181 Q190	T180-P184 WeakPolarHBondContact O-CD 3.14Å; M181-P184 WeakPolarHBondContact O-CD 3.33Å; P184-Q190 HydrophobicContact CB-CB 4.2Å; P184-Q190 VanDerWaalsContact CD-OE1 3.22Å; P184-Q190 VanDerWaalsContact N-OE1 3.13Å
185	F	65.3	Low	72.2	Confident	118 Å²	118	68 Å²	68	52%	0.518	39%	0.39	S	S	.	.	H	α-helix	trans	-81.3	-25.9	-178.8	-69.3	-74.4	0	0	0	112.9	M181 L182 L183	M181-F185 WeakPolarHBondContact O-CD2 3.22Å; M181-F185 WeakPolarHBondContact O-CE2 3.41Å; L182-F185 PolarHBondContact O-N 2.94Å; L183-F185 VanDerWaalsContact C-N 3.26Å; L183-F185 PolarHBondContact O-N 3.4Å
186	V	65	Low	71	Confident	127 Å²	127	64.7 Å²	64.7	77%	0.77	38%	0.38	S	S	*	.	H	α-helix	trans	-88.7	-32.2	179.1	179.5	0	0	0	0	112	L182 L183	L182-V186 WeakPolarHBondContact O-CG2 3.36Å; L182-V186 PolarHBondContact O-N 2.97Å; L182-V186 VanDerWaalsContact O-N 3.13Å; L183-V186 PolarHBondContact O-N 3.16Å
187	G	60.1	Low	70.2	Confident	41 Å²	41	63.5 Å²	63.5	42%	0.423	38%	0.379	S	S	.	.	S	Bend	trans	-113.5	59.6	-173.6	0	0	0	0	0	114.4	L183	L183-G187 PolarHBondContact O-N 3.27Å; L183-G187 VanDerWaalsContact O-N 3.09Å
188	G	56	Low	69.8	Low	54 Å²	54	63.5 Å²	63.5	56%	0.557	38%	0.379	S	S	*	.	S	Bend	trans	-31.5	130.3	-172.5	0	0	0	0	0	115.9
189	N	61	Low	69.4	Low	138 Å²	138	61.2 Å²	61.2	74%	0.738	37%	0.365	S	S	*	.			trans	103.3	23.8	178.7	-48.5	-34.2	0	0	0	117.4	H191 T201	N189-H191 VanDerWaalsContact C-N 3.29Å; N189-H191 PolarHBondContact O-N 3.32Å; N189-T201 WeakPolarHBondContact O-CB 3.31Å; N189-T201 PolarHBondContact O-OG1 3.23Å
190	Q	63.6	Low	69.1	Low	27 Å²	27	57.9 Å²	57.9	13%	0.126	35%	0.348	C	S	.	.	S	Bend	trans	-78.1	-10.8	173.9	-64.7	-173.1	1.1	0	0	114.6	L183 P184 T201 Y206	L183-Q190 PolarHBondContact O-NE2 3.48Å; P184-Q190 HydrophobicContact CB-CB 4.2Å; P184-Q190 VanDerWaalsContact CD-OE1 3.22Å; P184-Q190 VanDerWaalsContact N-OE1 3.13Å; Q190-T201 VanDerWaalsContact C-CB 3.46Å; Q190-T201 WeakPolarHBondContact O-CB 3.48Å; Q190-T201 WeakPolarHBondContact O-CG2 3.33Å; Q190-T201 PolarHBondContact O-N 3.38Å; Q190-Y206 HydrophobicContact CB-CD2 4.41Å; Q190-Y206 HydrophobicContact CB-CE2 4.06Å; Q190-Y206 HydrophobicContact CG-CD2 3.99Å; Q190-Y206 HydrophobicContact CG-CE2 3.9Å
191	H	67	Low	69.1	Low	8 Å²	8	57.3 Å²	57.3	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140	173.2	-58.7	-64	0	0	0	108	Q123 L126 S127 N189 L193 H199	Q123-H191 HydrophobicContact CG-CB 4.36Å; L126-H191 VanDerWaalsContact CB-CE1 3.46Å; L126-H191 WeakPolarHBondContact CB-CE1 3.34Å; L126-H191 HydrophobicContact CD1-CB 3.89Å; L126-H191 VanDerWaalsContact CD1-ND1 3.31Å; L126-H191 WeakPolarHBondContact CD1-ND1 3.44Å; S127-H191 PolarHBondContact OG-NE2 2.9Å; N189-H191 VanDerWaalsContact C-N 3.29Å; N189-H191 PolarHBondContact O-N 3.32Å; H191-L193 WeakPolarHBondContact O-CD1 3.33Å; H191-H199 CarbonylContact C-O 3.6Å; H191-H199 WeakPolarHBondContact CA-O 3.44Å
192	T	63.1	Low	69.1	Low	43 Å²	43	60.2 Å²	60.2	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121	175.6	41.3	0	0	0	0	109.2	H199 Y202	T192-H199 PolarHBondContact N-O 2.82Å; T192-H199 PolarHBondContact O-N 3.45Å; T192-H199 PolarHBondContact OG1-O 3.4Å; T192-Y202 HydrophobicContact CG2-CD2 3.96Å; T192-Y202 HydrophobicContact CG2-CE2 4.18Å
193	L	65.2	Low	69.6	Low	56 Å²	56	59.2 Å²	59.2	29%	0.293	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.4	-176.1	-57.1	110.7	0	0	0	108.8	D119 C122 Q123 H191	D119-L193 HydrophobicContact CB-CD2 3.25Å; D119-L193 WeakPolarHBondContact O-CD2 3.2Å; D119-L193 WeakPolarHBondContact OD1-CD2 3.39Å; C122-L193 HydrophobicContact CB-CD2 4.42Å; Q123-L193 HydrophobicContact CG-CD2 4.07Å; H191-L193 WeakPolarHBondContact O-CD1 3.33Å
194	G	60.9	Low	70.5	Confident	37 Å²	37	59.6 Å²	59.6	38%	0.381	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	161.8	173.7	0	0	0	0	0	109.2	G196 S197	G194-G196 PolarHBondContact O-N 3.39Å; G194-S197 PolarHBondContact N-O 3.31Å; G194-S197 PolarHBondContact O-N 3.18Å; G194-S197 VanDerWaalsContact O-O 3.1Å
195	L	61.1	Low	71.7	Confident	164 Å²	164	62.3 Å²	62.3	86%	0.859	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	120.6	175.4	-86.2	114.1	0	0	0	110.1	S197	L195-S197 PolarHBondContact O-N 3Å
196	G	70.4	Confident	72.6	Confident	27 Å²	27	58 Å²	58	28%	0.278	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	72.9	-1.1	-176.9	0	0	0	0	0	116.2	Y113 W114 G194	Y113-G196 WeakPolarHBondContact CA-O 3.42Å; Y113-G196 WeakPolarHBondContact CB-O 3.34Å; W114-G196 PolarHBondContact N-O 2.96Å; W114-G196 WeakPolarHBondContact O-CA 3.3Å; G194-G196 PolarHBondContact O-N 3.39Å
197	S	76.4	Confident	73.7	Confident	57 Å²	57	52.4 Å²	52.4	40%	0.399	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	-174.6	-61.8	0	0	0	0	111.7	G194 L195	G194-S197 PolarHBondContact N-O 3.31Å; G194-S197 PolarHBondContact O-N 3.18Å; G194-S197 VanDerWaalsContact O-O 3.1Å; L195-S197 PolarHBondContact O-N 3Å
198	C	86.6	Confident	75.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	95	175.4	177.3	0	0	0	0	110.4	R108 W114 C122 W125	R108-C198 PolarHBondContact NH1-O 3.06Å; W114-C198 HydrophobicContact CB-CB 3.73Å; W114-C198 HydrophobicContact CD2-CB 3.65Å; W114-C198 HydrophobicContact CE3-CB 3.93Å; W114-C198 HydrophobicContact CG-CB 3.58Å; C122-C198 WeakPolarHBondContact CA-SG 3.48Å; C122-C198 HydrophobicContact CB-CB 3.9Å; C122-C198 WeakPolarHBondContact CB-SG 3.38Å; C122-C198 WeakPolarHBondContact SG-CA 3.29Å; C122-C198 WeakPolarHBondContact SG-CB 3.45Å; C122-C198 CovalentContact SG-SG 2.02Å; C122-C198 PolarHBondContact SG-SG 3.27Å; W125-C198 VanDerWaalsContact CE3-SG 3.59Å
199	H	83.5	Confident	76.7	Confident	37 Å²	37	55.7 Å²	55.7	17%	0.171	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.7	-175	-56.8	-106	0	0	0	111.1	R108 L126 H191 T192 N529	R108-H199 PolarHBondContact NH1-CE1 3.45Å; R108-H199 VanDerWaalsContact NH1-CE1 3.32Å; R108-H199 PolarHBondContact NH1-NE2 2.85Å; R108-H199 VanDerWaalsContact NH1-NE2 3.19Å; R108-H199 PolarHBondContact NH2-CE1 3.38Å; R108-H199 PolarHBondContact NH2-ND1 2.87Å; L126-H199 WeakPolarHBondContact CD1-O 3.35Å; H191-H199 CarbonylContact C-O 3.6Å; H191-H199 WeakPolarHBondContact CA-O 3.44Å; T192-H199 PolarHBondContact N-O 2.82Å; T192-H199 PolarHBondContact O-N 3.45Å; T192-H199 PolarHBondContact OG1-O 3.4Å; H199-N529 PolarHBondContact CE1-OD1 3.26Å; H199-N529 VanDerWaalsContact CE1-OD1 3.28Å
200	I	81.5	Confident	77.9	Confident	26 Å²	26	50.2 Å²	50.2	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.3	173.9	-60.4	171.5	0	0	0	108.9	L126 I130 Y206 F513	L126-I200 HydrophobicContact CD2-CG1 4.28Å; I130-I200 HydrophobicContact CD1-CD1 4.35Å; I200-Y206 HydrophobicContact CG2-CD1 4.09Å; I200-Y206 HydrophobicContact CG2-CE1 3.61Å; I200-F513 HydrophobicContact CD1-CZ 4.37Å
201	T	81.9	Confident	79.3	Confident	16 Å²	16	49 Å²	49	10%	0.098	27%	0.271	C	S	.	.			trans	-49.9	145.5	178.9	-172.2	0	0	0	0	113.2	N189 Q190 N203 Y206 R207	N189-T201 WeakPolarHBondContact O-CB 3.31Å; N189-T201 PolarHBondContact O-OG1 3.23Å; Q190-T201 VanDerWaalsContact C-CB 3.46Å; Q190-T201 WeakPolarHBondContact O-CB 3.48Å; Q190-T201 WeakPolarHBondContact O-CG2 3.33Å; Q190-T201 PolarHBondContact O-N 3.38Å; T201-N203 HydrophobicContact CG2-CB 3.81Å; T201-N203 PolarHBondContact O-N 2.67Å; T201-N203 PolarHBondContact OG1-N 3.39Å; T201-Y206 HydrophobicContact CG2-CD1 3.32Å; T201-Y206 HydrophobicContact CG2-CE1 4.03Å; T201-Y206 HydrophobicContact CG2-CG 3.75Å; T201-R207 PolarHBondContact O-NE 2.87Å
202	Y	78.4	Confident	80.5	Confident	96 Å²	96	52.8 Å²	52.8	38%	0.376	29%	0.291	S	S	.	.			trans	-79.7	2.6	173.1	-61.3	-73.1	0	0	0	112.9	T192 K204 Q526	T192-Y202 HydrophobicContact CG2-CD2 3.96Å; T192-Y202 HydrophobicContact CG2-CE2 4.18Å; Y202-K204 PolarHBondContact O-N 2.94Å; Y202-K204 VanDerWaalsContact O-N 3.12Å; Y202-Q526 HydrophobicContact CD1-CG 4.01Å; Y202-Q526 VanDerWaalsContact CE1-CD 3.48Å; Y202-Q526 HydrophobicContact CE1-CG 3.67Å; Y202-Q526 VanDerWaalsContact CE1-NE2 3.28Å; Y202-Q526 VanDerWaalsContact CZ-NE2 3.31Å
203	N	84.5	Confident	81.7	Confident	85 Å²	85	53 Å²	53	46%	0.455	29%	0.292	S	S	.	.			trans	-59.6	117.6	176.8	-176	-64.3	0	0	0	111.1	T201 A205 Y206 R207	T201-N203 HydrophobicContact CG2-CB 3.81Å; T201-N203 PolarHBondContact O-N 2.67Å; T201-N203 PolarHBondContact OG1-N 3.39Å; N203-A205 PolarHBondContact O-N 3.47Å; N203-A205 WeakPolarHBondContact OD1-CB 3.46Å; N203-A205 PolarHBondContact OD1-N 2.91Å; N203-Y206 PolarHBondContact O-N 3.31Å; N203-Y206 PolarHBondContact OD1-N 3.17Å; N203-R207 WeakPolarHBondContact O-CG 3.42Å; N203-R207 PolarHBondContact O-N 3.22Å
204	K	88.3	Confident	82.8	Confident	83 Å²	83	50.6 Å²	50.6	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-55	-49.3	-179	-176.2	177.3	-160.8	125.7	0	112.8	Y202 Y206 R207 I208 A521 D524	Y202-K204 PolarHBondContact O-N 2.94Å; Y202-K204 VanDerWaalsContact O-N 3.12Å; K204-Y206 VanDerWaalsContact C-N 3.34Å; K204-Y206 PolarHBondContact O-N 2.99Å; K204-R207 PolarHBondContact O-N 3.07Å; K204-I208 HydrophobicContact CG-CD1 3.95Å; K204-I208 WeakPolarHBondContact O-CG1 3.36Å; K204-I208 PolarHBondContact O-N 3.44Å; K204-A521 WeakPolarHBondContact CE-O 3.46Å; K204-A521 HydrophobicContact CG-CB 4.31Å; K204-A521 WeakPolarHBondContact CG-O 3.24Å; K204-A521 PolarHBondContact NZ-O 3.28Å; K204-D524 VanDerWaalsContact NZ-CG 3.26Å; K204-D524 IonicContact NZ-OD1 2.89Å; K204-D524 PolarHBondContact NZ-OD1 2.64Å; K204-D524 IonicContact NZ-OD2 2.9Å; K204-D524 PolarHBondContact NZ-OD2 3.43Å
205	A	87	Confident	84.3	Confident	69 Å²	69	48.9 Å²	48.9	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-62.3	-43.8	-178.2	0	0	0	0	0	111.2	N203 Y209	N203-A205 PolarHBondContact O-N 3.47Å; N203-A205 WeakPolarHBondContact OD1-CB 3.46Å; N203-A205 PolarHBondContact OD1-N 2.91Å; A205-Y209 WeakPolarHBondContact O-CB 3.39Å; A205-Y209 PolarHBondContact O-N 3.37Å
206	Y	84	Confident	86	Confident	26 Å²	26	43 Å²	43	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-43.7	177.9	179.6	-97.6	0	0	0	112.4	Q190 I200 T201 N203 K204 Y209 S210	Q190-Y206 HydrophobicContact CB-CD2 4.41Å; Q190-Y206 HydrophobicContact CB-CE2 4.06Å; Q190-Y206 HydrophobicContact CG-CD2 3.99Å; Q190-Y206 HydrophobicContact CG-CE2 3.9Å; I200-Y206 HydrophobicContact CG2-CD1 4.09Å; I200-Y206 HydrophobicContact CG2-CE1 3.61Å; T201-Y206 HydrophobicContact CG2-CD1 3.32Å; T201-Y206 HydrophobicContact CG2-CE1 4.03Å; T201-Y206 HydrophobicContact CG2-CG 3.75Å; N203-Y206 PolarHBondContact O-N 3.31Å; N203-Y206 PolarHBondContact OD1-N 3.17Å; K204-Y206 VanDerWaalsContact C-N 3.34Å; K204-Y206 PolarHBondContact O-N 2.99Å; Y206-Y209 PolarHBondContact O-N 3.41Å; Y206-S210 VanDerWaalsContact O-CB 3.25Å; Y206-S210 WeakPolarHBondContact O-CB 3.37Å; Y206-S210 PolarHBondContact O-N 3.25Å; Y206-S210 PolarHBondContact O-OG 3.45Å
207	R	88	Confident	87.1	Confident	11 Å²	11	43.3 Å²	43.3	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-42.6	179.6	-74.3	176.3	168.5	-143.6	-15	112.9	T201 N203 K204 S210 S211 I517 E520 A521	T201-R207 PolarHBondContact O-NE 2.87Å; N203-R207 WeakPolarHBondContact O-CG 3.42Å; N203-R207 PolarHBondContact O-N 3.22Å; K204-R207 PolarHBondContact O-N 3.07Å; R207-S210 PolarHBondContact O-OG 3.21Å; R207-S211 VanDerWaalsContact O-CB 3.26Å; R207-S211 WeakPolarHBondContact O-CB 3.35Å; R207-S211 PolarHBondContact O-N 2.96Å; R207-S211 VanDerWaalsContact O-N 3.08Å; R207-S211 PolarHBondContact O-OG 3.38Å; R207-I517 HydrophobicContact CB-CG2 3.82Å; R207-I517 HydrophobicContact CG-CG2 3.99Å; R207-E520 IonicContact CZ-OE2 3.21Å; R207-E520 IonicContact NH1-OE2 2.61Å; R207-E520 PolarHBondContact NH1-OE2 2.83Å; R207-E520 IonicContact NH2-OE2 3.1Å; R207-E520 PolarHBondContact NH2-OE2 3.05Å; R207-E520 VanDerWaalsContact NH2-OE2 3.1Å; R207-A521 HydrophobicContact CB-CB 3.86Å
208	I	90.8	Very high	88	Confident	60 Å²	60	41.2 Å²	41.2	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-51.7	175.3	-66.4	170.5	0	0	0	109.9	K204 S210 S211 I212 A521	K204-I208 HydrophobicContact CG-CD1 3.95Å; K204-I208 WeakPolarHBondContact O-CG1 3.36Å; K204-I208 PolarHBondContact O-N 3.44Å; I208-S210 PolarHBondContact O-N 2.9Å; I208-S211 PolarHBondContact O-N 3.46Å; I208-I212 HydrophobicContact CG2-CD1 3.72Å; I208-I212 WeakPolarHBondContact O-CG1 3.29Å; I208-I212 PolarHBondContact O-N 2.9Å; I208-A521 HydrophobicContact CD1-CB 4.48Å; I208-A521 HydrophobicContact CG1-CB 3.93Å
209	Y	88.1	Confident	88.5	Confident	104 Å²	104	43.4 Å²	43.4	41%	0.408	23%	0.229	S	C	.	.	H	α-helix	trans	-56.8	-53.2	-179.9	166.6	-101.9	0	0	0	112.1	L183 A205 Y206 S211 I212 V213	L183-Y209 HydrophobicContact CD2-CE1 3.82Å; A205-Y209 WeakPolarHBondContact O-CB 3.39Å; A205-Y209 PolarHBondContact O-N 3.37Å; Y206-Y209 PolarHBondContact O-N 3.41Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 2.93Å; Y209-I212 PolarHBondContact O-N 3.49Å; Y209-V213 HydrophobicContact CD2-CG2 3.95Å; Y209-V213 HydrophobicContact CE2-CG2 3.59Å; Y209-V213 WeakPolarHBondContact O-CG2 3.4Å; Y209-V213 PolarHBondContact O-N 2.95Å
210	S	86	Confident	89.1	Confident	22 Å²	22	47.1 Å²	47.1	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-33	-178.6	56.7	0	0	0	0	112.6	Y206 R207 I208 G214	Y206-S210 VanDerWaalsContact O-CB 3.25Å; Y206-S210 WeakPolarHBondContact O-CB 3.37Å; Y206-S210 PolarHBondContact O-N 3.25Å; Y206-S210 PolarHBondContact O-OG 3.45Å; R207-S210 PolarHBondContact O-OG 3.21Å; I208-S210 PolarHBondContact O-N 2.9Å; S210-G214 VanDerWaalsContact O-CA 3.28Å; S210-G214 WeakPolarHBondContact O-CA 3.14Å; S210-G214 PolarHBondContact O-N 3.42Å
211	S	91.7	Very high	89.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-70.8	-41.5	175.7	-59.8	0	0	0	0	112.6	R207 I208 Y209 F215 F216 I517	R207-S211 VanDerWaalsContact O-CB 3.26Å; R207-S211 WeakPolarHBondContact O-CB 3.35Å; R207-S211 PolarHBondContact O-N 2.96Å; R207-S211 VanDerWaalsContact O-N 3.08Å; R207-S211 PolarHBondContact O-OG 3.38Å; I208-S211 PolarHBondContact O-N 3.46Å; Y209-S211 VanDerWaalsContact C-N 3.29Å; Y209-S211 PolarHBondContact O-N 2.93Å; S211-F215 PolarHBondContact O-N 2.82Å; S211-F215 VanDerWaalsContact O-N 3.08Å; S211-F216 WeakPolarHBondContact O-CD2 3.38Å; S211-F216 PolarHBondContact O-N 3.45Å; S211-I517 WeakPolarHBondContact OG-CG2 3.3Å
212	I	92.6	Very high	90.5	Very high	88 Å²	88	49.6 Å²	49.6	45%	0.451	26%	0.261	S	S	.	.	I	π-helix	trans	-65.5	-51.5	177.6	-67.2	169.3	0	0	0	110.2	I208 Y209 F216 G217	I208-I212 HydrophobicContact CG2-CD1 3.72Å; I208-I212 WeakPolarHBondContact O-CG1 3.29Å; I208-I212 PolarHBondContact O-N 2.9Å; Y209-I212 PolarHBondContact O-N 3.49Å; I212-F216 PolarHBondContact O-N 3.46Å; I212-G217 WeakPolarHBondContact O-CA 3.44Å; I212-G217 PolarHBondContact O-N 3.17Å
213	V	88.7	Confident	91.3	Very high	48 Å²	48	46.5 Å²	46.5	29%	0.291	26%	0.256	S	S	.	.	I	π-helix	trans	-71	-40.7	-177.1	175.1	0	0	0	0	111.6	M134 Y209 P218	M134-V213 HydrophobicContact CE-CG1 3.71Å; M134-V213 HydrophobicContact SD-CG1 4.49Å; Y209-V213 HydrophobicContact CD2-CG2 3.95Å; Y209-V213 HydrophobicContact CE2-CG2 3.59Å; Y209-V213 WeakPolarHBondContact O-CG2 3.4Å; Y209-V213 PolarHBondContact O-N 2.95Å; V213-P218 WeakPolarHBondContact O-CD 3.33Å
214	G	87.8	Confident	91.8	Very high	6 Å²	6	48.9 Å²	48.9	6%	0.062	26%	0.259	C	S	.	.	I	π-helix	trans	-77.3	-25.9	-175.3	0	0	0	0	0	114.5	S210	S210-G214 VanDerWaalsContact O-CA 3.28Å; S210-G214 WeakPolarHBondContact O-CA 3.14Å; S210-G214 PolarHBondContact O-N 3.42Å
215	F	94.1	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-143.6	-60.7	-173.9	-176.1	-101.5	0	0	0	114.9	I137 S211 G217 P218 F219 F506 W510 F511 F514	I137-F215 HydrophobicContact CD1-CD2 4.04Å; I137-F215 HydrophobicContact CD1-CE2 4.47Å; S211-F215 PolarHBondContact O-N 2.82Å; S211-F215 VanDerWaalsContact O-N 3.08Å; F215-G217 PolarHBondContact O-N 3.33Å; F215-P218 WeakPolarHBondContact O-CD 3.26Å; F215-F219 HydrophobicContact CE1-CB 4.46Å; F215-F219 WeakPolarHBondContact O-CB 3.21Å; F215-F219 PolarHBondContact O-N 2.93Å; F215-F506 AromaticContact CD2-CE1 3.96Å; F215-F506 HydrophobicContact CD2-CE1 3.96Å; F215-F506 HydrophobicContact CE2-CD1 4.28Å; F215-F506 AromaticContact CE2-CE1 3.83Å; F215-F506 HydrophobicContact CE2-CE1 3.83Å; F215-W510 HydrophobicContact CD2-CB 4.1Å; F215-W510 HydrophobicContact CE2-CB 3.7Å; F215-W510 HydrophobicContact CZ-CB 4.49Å; F215-F511 HydrophobicContact CE1-CB 4.13Å; F215-F511 AromaticContact CE1-CD2 3.55Å; F215-F511 HydrophobicContact CE1-CD2 3.55Å; F215-F511 HydrophobicContact CE1-CE2 4.36Å; F215-F511 HydrophobicContact CE1-CG 4.17Å; F215-F511 HydrophobicContact CZ-CB 3.8Å; F215-F511 AromaticContact CZ-CD2 3.81Å; F215-F511 HydrophobicContact CZ-CD2 3.81Å; F215-F511 HydrophobicContact CZ-CG 4.26Å; F215-F514 HydrophobicContact CB-CB 4.17Å; F215-F514 HydrophobicContact CB-CD1 3.62Å; F215-F514 HydrophobicContact CB-CD2 3.35Å; F215-F514 HydrophobicContact CB-CE1 3.72Å; F215-F514 HydrophobicContact CB-CE2 3.48Å; F215-F514 VanDerWaalsContact CB-CE2 3.48Å; F215-F514 HydrophobicContact CB-CG 3.43Å; F215-F514 VanDerWaalsContact CB-CG 3.43Å; F215-F514 HydrophobicContact CB-CZ 3.66Å; F215-F514 HydrophobicContact CD1-CB 3.77Å; F215-F514 AromaticContact CD1-CD2 3.81Å; F215-F514 HydrophobicContact CD1-CD2 3.81Å; F215-F514 AromaticContact CD1-CG 3.88Å; F215-F514 HydrophobicContact CD1-CG 3.88Å; F215-F514 AromaticContact CD2-CD2 3.48Å; F215-F514 HydrophobicContact CD2-CD2 3.48Å; F215-F514 VanDerWaalsContact CD2-CD2 3.48Å; F215-F514 AromaticContact CD2-CE2 3.64Å; F215-F514 HydrophobicContact CD2-CE2 3.64Å; F215-F514 HydrophobicContact CD2-CG 4.31Å; F215-F514 HydrophobicContact CE1-CB 4.42Å; F215-F514 HydrophobicContact CE1-CD2 4.47Å; F215-F514 HydrophobicContact CE2-CD2 4.2Å; F215-F514 HydrophobicContact CG-CB 4.06Å; F215-F514 HydrophobicContact CG-CD1 4.33Å; F215-F514 AromaticContact CG-CD2 3.25Å; F215-F514 HydrophobicContact CG-CD2 3.25Å; F215-F514 AromaticContact CG-CE2 3.69Å; F215-F514 HydrophobicContact CG-CE2 3.69Å; F215-F514 AromaticContact CG-CG 3.62Å; F215-F514 HydrophobicContact CG-CG 3.62Å; F215-F514 HydrophobicContact CG-CZ 4.38Å
216	F	95.3	Very high	92.4	Very high	41 Å²	41	43.9 Å²	43.9	18%	0.18	23%	0.225	C	C	.	.	I	π-helix	trans	-65.8	-38.6	-167.6	-71.8	-77.5	0	0	0	113.2	S211 I212 F219 L220 F511 F514 I515 I518	S211-F216 WeakPolarHBondContact O-CD2 3.38Å; S211-F216 PolarHBondContact O-N 3.45Å; I212-F216 PolarHBondContact O-N 3.46Å; F216-F219 PolarHBondContact O-N 3.17Å; F216-L220 WeakPolarHBondContact O-CB 3.47Å; F216-L220 VanDerWaalsContact O-CG 3.24Å; F216-L220 WeakPolarHBondContact O-CG 3.23Å; F216-L220 PolarHBondContact O-N 2.98Å; F216-F511 HydrophobicContact CE1-CE2 4.11Å; F216-F514 HydrophobicContact CE2-CB 3.74Å; F216-F514 HydrophobicContact CZ-CB 4.13Å; F216-I515 HydrophobicContact CZ-CG1 4.22Å; F216-I518 HydrophobicContact CD2-CD1 3.53Å; F216-I518 HydrophobicContact CE2-CD1 3.16Å; F216-I518 HydrophobicContact CE2-CG1 3.98Å; F216-I518 HydrophobicContact CZ-CD1 3.96Å
217	G	94.6	Very high	92.9	Very high	34 Å²	34	48.3 Å²	48.3	35%	0.351	25%	0.25	S	C	.	.	H	α-helix	trans	-61.4	-58.9	175.2	0	0	0	0	0	112.4	I212 F215 F219 L220 L221	I212-G217 WeakPolarHBondContact O-CA 3.44Å; I212-G217 PolarHBondContact O-N 3.17Å; F215-G217 PolarHBondContact O-N 3.33Å; G217-F219 VanDerWaalsContact C-N 3.29Å; G217-F219 PolarHBondContact O-N 3.08Å; G217-L220 PolarHBondContact O-N 3.05Å; G217-L221 PolarHBondContact O-N 3.31Å; G217-L221 VanDerWaalsContact O-N 3.14Å
218	P	95.7	Very high	93.2	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-36.7	174.9	-26.2	34.9	0	0	0	113.7	I137 L138 V213 F215 L221 I222	I137-P218 HydrophobicContact CD1-CB 3.65Å; I137-P218 HydrophobicContact CG1-CB 3.76Å; I137-P218 HydrophobicContact CG2-CB 4.04Å; I137-P218 HydrophobicContact CG2-CG 4.27Å; L138-P218 HydrophobicContact CD2-CG 4.36Å; V213-P218 WeakPolarHBondContact O-CD 3.33Å; F215-P218 WeakPolarHBondContact O-CD 3.26Å; P218-L221 WeakPolarHBondContact O-CB 3.49Å; P218-L221 PolarHBondContact O-N 3.34Å; P218-I222 WeakPolarHBondContact O-CG1 3.26Å; P218-I222 PolarHBondContact O-N 3.19Å
219	F	95.9	Very high	93.2	Very high	46 Å²	46	50 Å²	50	20%	0.202	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-47.6	176.5	170.8	-105.5	0	0	0	112.1	I137 F215 F216 G217 L221 I222 A223 T507 F511	I137-F219 HydrophobicContact CD1-CB 4.41Å; F215-F219 HydrophobicContact CE1-CB 4.46Å; F215-F219 WeakPolarHBondContact O-CB 3.21Å; F215-F219 PolarHBondContact O-N 2.93Å; F216-F219 PolarHBondContact O-N 3.17Å; G217-F219 VanDerWaalsContact C-N 3.29Å; G217-F219 PolarHBondContact O-N 3.08Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 3.29Å; F219-I222 PolarHBondContact O-N 2.97Å; F219-A223 WeakPolarHBondContact O-CB 3.47Å; F219-A223 PolarHBondContact O-N 3.49Å; F219-T507 HydrophobicContact CD2-CG2 3.84Å; F219-T507 HydrophobicContact CE2-CG2 3.26Å; F219-T507 HydrophobicContact CZ-CG2 3.97Å; F219-F511 HydrophobicContact CE1-CE2 4.36Å
220	L	96.3	Very high	93.3	Very high	115 Å²	115	51.2 Å²	51.2	60%	0.602	26%	0.26	S	S	*	.	H	α-helix	trans	-61.8	-38.1	177.3	-72.2	173.6	0	0	0	111.7	F216 G217 A223 Y224	F216-L220 WeakPolarHBondContact O-CB 3.47Å; F216-L220 VanDerWaalsContact O-CG 3.24Å; F216-L220 WeakPolarHBondContact O-CG 3.23Å; F216-L220 PolarHBondContact O-N 2.98Å; G217-L220 PolarHBondContact O-N 3.05Å; L220-A223 PolarHBondContact O-N 2.96Å; L220-Y224 WeakPolarHBondContact O-CB 3.39Å; L220-Y224 PolarHBondContact O-N 3.38Å
221	L	96.1	Very high	93.6	Very high	89 Å²	89	57.5 Å²	57.5	47%	0.466	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-49.9	173.5	176.1	63.4	0	0	0	111.5	C141 G217 P218 F219 A223 Y224 I225	C141-L221 HydrophobicContact CB-CD2 4.49Å; G217-L221 PolarHBondContact O-N 3.31Å; G217-L221 VanDerWaalsContact O-N 3.14Å; P218-L221 WeakPolarHBondContact O-CB 3.49Å; P218-L221 PolarHBondContact O-N 3.34Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 3.29Å; L221-A223 PolarHBondContact O-N 2.83Å; L221-Y224 PolarHBondContact O-N 3.41Å; L221-I225 HydrophobicContact CD1-CD1 3.96Å; L221-I225 HydrophobicContact CD1-CG1 4.37Å; L221-I225 HydrophobicContact CG-CD1 3.95Å; L221-I225 VanDerWaalsContact O-CG1 3.24Å; L221-I225 WeakPolarHBondContact O-CG1 3.35Å; L221-I225 PolarHBondContact O-N 3.42Å
222	I	96	Very high	93.5	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-47.4	177.3	-72.8	172.8	0	0	0	110.7	I137 L140 C141 P218 F219 Y224 I225 Y226 V503	I137-I222 HydrophobicContact CD1-CD1 4.5Å; I137-I222 HydrophobicContact CG1-CD1 3.84Å; L140-I222 HydrophobicContact CB-CD1 3.84Å; C141-I222 HydrophobicContact CB-CG1 4.42Å; C141-I222 VanDerWaalsContact SG-CG1 3.55Å; P218-I222 WeakPolarHBondContact O-CG1 3.26Å; P218-I222 PolarHBondContact O-N 3.19Å; F219-I222 PolarHBondContact O-N 2.97Å; I222-Y224 PolarHBondContact O-N 3.44Å; I222-I225 PolarHBondContact O-N 3.19Å; I222-I225 VanDerWaalsContact O-N 3.17Å; I222-Y226 HydrophobicContact CG2-CD2 3.7Å; I222-Y226 HydrophobicContact CG2-CE2 3.88Å; I222-Y226 WeakPolarHBondContact O-CD2 3.02Å; I222-Y226 PolarHBondContact O-N 3.07Å; I222-V503 HydrophobicContact CG2-CG1 3.34Å; I222-V503 HydrophobicContact CG2-CG2 4.46Å
223	A	95.3	Very high	93.3	Very high	32 Å²	32	55.3 Å²	55.3	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-47.8	178.8	0	0	0	0	0	111.2	F219 L220 L221 I225 Y226 L227	F219-A223 WeakPolarHBondContact O-CB 3.47Å; F219-A223 PolarHBondContact O-N 3.49Å; L220-A223 PolarHBondContact O-N 2.96Å; L221-A223 PolarHBondContact O-N 2.83Å; A223-I225 VanDerWaalsContact C-N 3.35Å; A223-I225 PolarHBondContact O-N 2.8Å; A223-Y226 PolarHBondContact O-N 3.27Å; A223-L227 WeakPolarHBondContact O-CB 3.48Å; A223-L227 VanDerWaalsContact O-CG 3.26Å; A223-L227 WeakPolarHBondContact O-CG 3.45Å; A223-L227 PolarHBondContact O-N 3.28Å
224	Y	96.1	Very high	93.3	Very high	134 Å²	134	58.1 Å²	58.1	53%	0.525	28%	0.278	S	S	.	.	H	α-helix	trans	-56	-47.8	174.4	172.7	-97.4	0	0	0	111.9	L220 L221 I222 Y226 L227 R228	L220-Y224 WeakPolarHBondContact O-CB 3.39Å; L220-Y224 PolarHBondContact O-N 3.38Å; L221-Y224 PolarHBondContact O-N 3.41Å; I222-Y224 PolarHBondContact O-N 3.44Å; Y224-Y226 PolarHBondContact O-N 2.99Å; Y224-L227 PolarHBondContact O-N 2.9Å; Y224-R228 HydrophobicContact CE1-CG 4.07Å; Y224-R228 HydrophobicContact CE2-CG 4.31Å; Y224-R228 WeakPolarHBondContact O-CG 3.26Å; Y224-R228 PolarHBondContact O-N 2.99Å; Y224-R228 VanDerWaalsContact O-N 3.07Å
225	I	95.5	Very high	93.3	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-46.1	-179.9	-67.7	167.6	0	0	0	110.9	S144 Y148 L221 I222 A223 R228 V229	S144-I225 WeakPolarHBondContact O-CG2 3.47Å; Y148-I225 HydrophobicContact CG-CG2 4.26Å; L221-I225 HydrophobicContact CD1-CD1 3.96Å; L221-I225 HydrophobicContact CD1-CG1 4.37Å; L221-I225 HydrophobicContact CG-CD1 3.95Å; L221-I225 VanDerWaalsContact O-CG1 3.24Å; L221-I225 WeakPolarHBondContact O-CG1 3.35Å; L221-I225 PolarHBondContact O-N 3.42Å; I222-I225 PolarHBondContact O-N 3.19Å; I222-I225 VanDerWaalsContact O-N 3.17Å; A223-I225 VanDerWaalsContact C-N 3.35Å; A223-I225 PolarHBondContact O-N 2.8Å; I225-R228 WeakPolarHBondContact O-CB 3.29Å; I225-R228 PolarHBondContact O-N 3.06Å; I225-V229 HydrophobicContact CG2-CG2 4.48Å; I225-V229 WeakPolarHBondContact O-CG2 3.36Å; I225-V229 PolarHBondContact O-N 3.37Å
226	Y	92	Very high	92.8	Very high	37 Å²	37	65.2 Å²	65.2	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-34.6	179.8	-87.1	-76.9	0	0	0	113.5	S144 I222 A223 Y224 R228 V229 F230 L499 A500 V503	S144-Y226 WeakPolarHBondContact OG-CE2 3.41Å; I222-Y226 HydrophobicContact CG2-CD2 3.7Å; I222-Y226 HydrophobicContact CG2-CE2 3.88Å; I222-Y226 WeakPolarHBondContact O-CD2 3.02Å; I222-Y226 PolarHBondContact O-N 3.07Å; A223-Y226 PolarHBondContact O-N 3.27Å; Y224-Y226 PolarHBondContact O-N 2.99Å; Y226-R228 VanDerWaalsContact C-N 3.29Å; Y226-R228 PolarHBondContact O-N 2.95Å; Y226-V229 PolarHBondContact O-N 2.89Å; Y226-F230 WeakPolarHBondContact O-CB 3.24Å; Y226-F230 PolarHBondContact O-N 2.95Å; Y226-L499 PolarHBondContact OH-O 3.4Å; Y226-A500 HydrophobicContact CD1-CB 4.08Å; Y226-A500 HydrophobicContact CE1-CB 3.51Å; Y226-A500 PolarHBondContact OH-N 3.22Å; Y226-V503 HydrophobicContact CD2-CG1 4.28Å; Y226-V503 HydrophobicContact CE2-CB 4.06Å; Y226-V503 HydrophobicContact CE2-CG1 3.89Å; Y226-V503 HydrophobicContact CE2-CG2 3.77Å
227	L	93.7	Very high	92.1	Very high	119 Å²	119	66.6 Å²	66.6	62%	0.623	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-42.6	170.8	-72.1	172.2	0	0	0	110.9	A223 Y224 F230 W231	A223-L227 WeakPolarHBondContact O-CB 3.48Å; A223-L227 VanDerWaalsContact O-CG 3.26Å; A223-L227 WeakPolarHBondContact O-CG 3.45Å; A223-L227 PolarHBondContact O-N 3.28Å; Y224-L227 PolarHBondContact O-N 2.9Å; L227-F230 PolarHBondContact O-N 3.45Å; L227-W231 WeakPolarHBondContact O-CB 3.46Å; L227-W231 PolarHBondContact O-N 3.37Å
228	R	94.5	Very high	91.6	Very high	99 Å²	99	70.4 Å²	70.4	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-43.6	174.5	-66.4	-65.1	-62.2	-130.1	-0.7	112.1	Y148 Y224 I225 Y226 W231 I232	Y148-R228 HydrophobicContact CD2-CB 4.05Å; Y148-R228 HydrophobicContact CE2-CB 3.73Å; Y224-R228 HydrophobicContact CE1-CG 4.07Å; Y224-R228 HydrophobicContact CE2-CG 4.31Å; Y224-R228 WeakPolarHBondContact O-CG 3.26Å; Y224-R228 PolarHBondContact O-N 2.99Å; Y224-R228 VanDerWaalsContact O-N 3.07Å; I225-R228 WeakPolarHBondContact O-CB 3.29Å; I225-R228 PolarHBondContact O-N 3.06Å; Y226-R228 VanDerWaalsContact C-N 3.29Å; Y226-R228 PolarHBondContact O-N 2.95Å; R228-W231 PolarHBondContact O-N 3.24Å; R228-I232 VanDerWaalsContact O-CG1 3.24Å; R228-I232 WeakPolarHBondContact O-CG1 3.45Å; R228-I232 PolarHBondContact O-N 3.36Å
229	V	91.3	Very high	90.9	Very high	6 Å²	6	73 Å²	73	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-49.1	175.5	169.6	0	0	0	0	110.7	Y148 I151 I225 Y226 W231 I232 I233	Y148-V229 HydrophobicContact CD2-CG2 4.03Å; Y148-V229 HydrophobicContact CG-CG2 4.49Å; I151-V229 HydrophobicContact CD1-CG1 3.69Å; I225-V229 HydrophobicContact CG2-CG2 4.48Å; I225-V229 WeakPolarHBondContact O-CG2 3.36Å; I225-V229 PolarHBondContact O-N 3.37Å; Y226-V229 PolarHBondContact O-N 2.89Å; V229-W231 PolarHBondContact O-N 3.14Å; V229-I232 PolarHBondContact O-N 3.31Å; V229-I233 HydrophobicContact CG1-CD1 3.65Å; V229-I233 HydrophobicContact CG1-CG1 4.44Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.45Å; V229-I233 PolarHBondContact O-N 3.27Å
230	F	90.4	Very high	89.8	Confident	130 Å²	130	73.1 Å²	73.1	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-59.3	-46.1	178.6	176.2	-101.7	0	0	0	111.9	Y226 L227 I232 I233 K234	Y226-F230 WeakPolarHBondContact O-CB 3.24Å; Y226-F230 PolarHBondContact O-N 2.95Å; L227-F230 PolarHBondContact O-N 3.45Å; F230-I232 PolarHBondContact O-N 3.03Å; F230-I233 PolarHBondContact O-N 2.89Å; F230-K234 HydrophobicContact CE1-CD 4.27Å; F230-K234 HydrophobicContact CZ-CD 4.49Å; F230-K234 WeakPolarHBondContact O-CB 3.19Å; F230-K234 PolarHBondContact O-N 3.46Å
231	W	92.4	Very high	88.7	Confident	154 Å²	154	71.7 Å²	71.7	58%	0.583	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-43	178.4	-173.2	88.5	0	0	0	112.2	L227 R228 V229 I233 K234 H235	L227-W231 WeakPolarHBondContact O-CB 3.46Å; L227-W231 PolarHBondContact O-N 3.37Å; R228-W231 PolarHBondContact O-N 3.24Å; V229-W231 PolarHBondContact O-N 3.14Å; W231-I233 PolarHBondContact O-N 3.5Å; W231-K234 PolarHBondContact O-N 3.19Å; W231-H235 WeakPolarHBondContact O-CB 3.21Å; W231-H235 PolarHBondContact O-N 3.43Å
232	I	90.3	Very high	87.7	Confident	21 Å²	21	71.8 Å²	71.8	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-43.4	176.9	-69.6	170.3	0	0	0	111.1	Y148 I151 S152 R228 V229 F230 H235 R236	Y148-I232 HydrophobicContact CD2-CD1 4.32Å; Y148-I232 HydrophobicContact CE2-CD1 3.71Å; I151-I232 HydrophobicContact CG2-CG2 3.91Å; S152-I232 WeakPolarHBondContact OG-CD1 3.12Å; R228-I232 VanDerWaalsContact O-CG1 3.24Å; R228-I232 WeakPolarHBondContact O-CG1 3.45Å; R228-I232 PolarHBondContact O-N 3.36Å; V229-I232 PolarHBondContact O-N 3.31Å; F230-I232 PolarHBondContact O-N 3.03Å; I232-H235 PolarHBondContact O-N 3.11Å; I232-R236 WeakPolarHBondContact O-CB 3.31Å; I232-R236 WeakPolarHBondContact O-CG 3.45Å; I232-R236 PolarHBondContact O-N 3.2Å
233	I	87.9	Confident	86.5	Confident	23 Å²	23	75.1 Å²	75.1	12%	0.118	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-50.2	177	-69.1	164	0	0	0	110.1	I151 V229 F230 W231 H235 R236 L237 F489 Q493	I151-I233 HydrophobicContact CD1-CD1 4.29Å; I151-I233 HydrophobicContact CG2-CG1 4.06Å; V229-I233 HydrophobicContact CG1-CD1 3.65Å; V229-I233 HydrophobicContact CG1-CG1 4.44Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.45Å; V229-I233 PolarHBondContact O-N 3.27Å; F230-I233 PolarHBondContact O-N 2.89Å; W231-I233 PolarHBondContact O-N 3.5Å; I233-H235 VanDerWaalsContact C-N 3.31Å; I233-H235 PolarHBondContact O-N 2.99Å; I233-R236 PolarHBondContact O-N 3.02Å; I233-L237 HydrophobicContact CG2-CD1 3.73Å; I233-L237 HydrophobicContact CG2-CG 4.25Å; I233-L237 WeakPolarHBondContact O-CB 3.11Å; I233-L237 VanDerWaalsContact O-CG 3.29Å; I233-L237 WeakPolarHBondContact O-CG 3.26Å; I233-L237 PolarHBondContact O-N 3.36Å; I233-F489 HydrophobicContact CB-CZ 4.33Å; I233-F489 HydrophobicContact CG1-CE2 4.26Å; I233-F489 HydrophobicContact CG1-CZ 4.02Å; I233-F489 HydrophobicContact CG2-CZ 4.35Å; I233-Q493 HydrophobicContact CD1-CG 4.11Å; I233-Q493 HydrophobicContact CG1-CG 4.47Å; I233-Q493 HydrophobicContact CG2-CG 4.41Å
234	K	88.1	Confident	85.1	Confident	106 Å²	106	78.7 Å²	78.7	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-57.8	-43.6	178.6	-173.9	176.2	-177.8	176.7	0	111.6	F230 W231 K238	F230-K234 HydrophobicContact CE1-CD 4.27Å; F230-K234 HydrophobicContact CZ-CD 4.49Å; F230-K234 WeakPolarHBondContact O-CB 3.19Å; F230-K234 PolarHBondContact O-N 3.46Å; W231-K234 PolarHBondContact O-N 3.19Å; K234-K238 WeakPolarHBondContact O-CG 3.47Å; K234-K238 PolarHBondContact O-N 2.78Å; K234-K238 VanDerWaalsContact O-N 3.1Å
235	H	87.9	Confident	83.6	Confident	97 Å²	97	77.5 Å²	77.5	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-49.4	177.9	-177	-85.8	0	0	0	111.9	W231 I232 I233 L237 K238 V239	W231-H235 WeakPolarHBondContact O-CB 3.21Å; W231-H235 PolarHBondContact O-N 3.43Å; I232-H235 PolarHBondContact O-N 3.11Å; I233-H235 VanDerWaalsContact C-N 3.31Å; I233-H235 PolarHBondContact O-N 2.99Å; H235-L237 PolarHBondContact O-N 3.49Å; H235-K238 PolarHBondContact O-N 3.01Å; H235-V239 WeakPolarHBondContact O-CG2 3.41Å; H235-V239 PolarHBondContact O-N 3.19Å; H235-V239 VanDerWaalsContact O-N 3.07Å
236	R	83.2	Confident	81.8	Confident	58 Å²	58	83.4 Å²	83.4	22%	0.219	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-40.9	179.3	-74.4	175.1	175.4	-126.2	3	112.1	I151 S152 I232 I233 K238 V239 L240 D485 F489	I151-R236 PolarHBondContact O-NH2 2.68Å; S152-R236 PolarHBondContact O-NH2 3.11Å; I232-R236 WeakPolarHBondContact O-CB 3.31Å; I232-R236 WeakPolarHBondContact O-CG 3.45Å; I232-R236 PolarHBondContact O-N 3.2Å; I233-R236 PolarHBondContact O-N 3.02Å; R236-K238 VanDerWaalsContact C-N 3.35Å; R236-K238 PolarHBondContact O-N 3.25Å; R236-V239 PolarHBondContact O-N 3.44Å; R236-L240 WeakPolarHBondContact O-CD1 3.49Å; R236-L240 VanDerWaalsContact O-CG 3.24Å; R236-L240 WeakPolarHBondContact O-CG 3.29Å; R236-L240 PolarHBondContact O-N 2.92Å; R236-D485 IonicContact NH1-OD2 3.33Å; R236-D485 PolarHBondContact NH1-OD2 3.06Å; R236-F489 HydrophobicContact CB-CE1 4.31Å; R236-F489 HydrophobicContact CB-CE2 4.31Å; R236-F489 HydrophobicContact CB-CZ 3.94Å; R236-F489 HydrophobicContact CG-CE2 4.37Å; R236-F489 HydrophobicContact CG-CZ 4.5Å
237	L	81.5	Confident	80.2	Confident	71 Å²	71	86.3 Å²	86.3	37%	0.372	41%	0.41	S	S	.	.	H	α-helix	trans	-61.2	-41.3	175.4	-70.9	174.3	0	0	0	112.2	I233 H235 L240 Q241	I233-L237 HydrophobicContact CG2-CD1 3.73Å; I233-L237 HydrophobicContact CG2-CG 4.25Å; I233-L237 WeakPolarHBondContact O-CB 3.11Å; I233-L237 VanDerWaalsContact O-CG 3.29Å; I233-L237 WeakPolarHBondContact O-CG 3.26Å; I233-L237 PolarHBondContact O-N 3.36Å; H235-L237 PolarHBondContact O-N 3.49Å; L237-L240 PolarHBondContact O-N 2.95Å; L237-Q241 VanDerWaalsContact O-CG 3.32Å; L237-Q241 WeakPolarHBondContact O-CG 3.38Å; L237-Q241 PolarHBondContact O-N 3.21Å
238	K	83.1	Confident	78.3	Confident	113 Å²	113	83.8 Å²	83.8	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-45.1	174.6	-75.2	-179.9	175.6	-167.8	0	112.3	K234 H235 R236 L240 Q241 I242	K234-K238 WeakPolarHBondContact O-CG 3.47Å; K234-K238 PolarHBondContact O-N 2.78Å; K234-K238 VanDerWaalsContact O-N 3.1Å; H235-K238 PolarHBondContact O-N 3.01Å; R236-K238 VanDerWaalsContact C-N 3.35Å; R236-K238 PolarHBondContact O-N 3.25Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.45Å; K238-Q241 PolarHBondContact O-N 3.43Å; K238-I242 WeakPolarHBondContact O-CG1 3.36Å; K238-I242 PolarHBondContact O-N 3.25Å
239	V	80.7	Confident	76.1	Confident	68 Å²	68	82.7 Å²	82.7	41%	0.412	41%	0.411	S	S	.	.	H	α-helix	trans	-61.3	-42.2	178.1	173.8	0	0	0	0	111	H235 R236 Q241 I242 T243	H235-V239 WeakPolarHBondContact O-CG2 3.41Å; H235-V239 PolarHBondContact O-N 3.19Å; H235-V239 VanDerWaalsContact O-N 3.07Å; R236-V239 PolarHBondContact O-N 3.44Å; V239-Q241 PolarHBondContact O-N 2.77Å; V239-I242 PolarHBondContact O-N 3.35Å; V239-T243 PolarHBondContact O-N 3.02Å; V239-T243 PolarHBondContact O-OG1 3.39Å
240	L	73.4	Confident	74	Confident	47 Å²	47	89.3 Å²	89.3	25%	0.246	45%	0.445	C	S	.	.	H	α-helix	trans	-65.4	-39	178.2	-67.8	161.4	0	0	0	112.5	R236 L237 K238 T243 N244 H486	R236-L240 WeakPolarHBondContact O-CD1 3.49Å; R236-L240 VanDerWaalsContact O-CG 3.24Å; R236-L240 WeakPolarHBondContact O-CG 3.29Å; R236-L240 PolarHBondContact O-N 2.92Å; L237-L240 PolarHBondContact O-N 2.95Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.45Å; L240-T243 PolarHBondContact O-N 3.06Å; L240-N244 WeakPolarHBondContact O-CB 3.5Å; L240-N244 VanDerWaalsContact O-CG 3.23Å; L240-N244 PolarHBondContact O-N 3.27Å; L240-N244 PolarHBondContact O-ND2 3.35Å; L240-H486 WeakPolarHBondContact CD1-CD2 3.33Å; L240-H486 WeakPolarHBondContact CD1-NE2 3.1Å; L240-H486 WeakPolarHBondContact CD2-CD2 3.27Å
241	Q	74.4	Confident	71.7	Confident	85 Å²	85	90.9 Å²	90.9	40%	0.397	45%	0.451	S	S	.	.	H	α-helix	trans	-60.9	-45.8	173.6	-73.4	171.9	-12.1	0	0	111.3	L237 K238 V239 N244 I245	L237-Q241 VanDerWaalsContact O-CG 3.32Å; L237-Q241 WeakPolarHBondContact O-CG 3.38Å; L237-Q241 PolarHBondContact O-N 3.21Å; K238-Q241 PolarHBondContact O-N 3.43Å; V239-Q241 PolarHBondContact O-N 2.77Å; Q241-N244 PolarHBondContact O-N 3.46Å; Q241-I245 WeakPolarHBondContact O-CD1 3.5Å; Q241-I245 VanDerWaalsContact O-CG1 3.22Å; Q241-I245 WeakPolarHBondContact O-CG1 3.38Å; Q241-I245 PolarHBondContact O-N 3.48Å
242	I	74.8	Confident	68.7	Low	92 Å²	92	91.9 Å²	91.9	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-44.5	178.6	-65.1	164.8	0	0	0	111.3	K238 V239 I245 K246	K238-I242 WeakPolarHBondContact O-CG1 3.36Å; K238-I242 PolarHBondContact O-N 3.25Å; V239-I242 PolarHBondContact O-N 3.35Å; I242-I245 PolarHBondContact O-N 2.99Å; I242-K246 HydrophobicContact CG2-CD 4.37Å; I242-K246 WeakPolarHBondContact O-CG 3.44Å; I242-K246 PolarHBondContact O-N 3.13Å
243	T	70.1	Confident	66	Low	75 Å²	75	95.6 Å²	95.6	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-42	178.6	-57.1	0	0	0	0	111.6	V239 L240 I245 K246 L247	V239-T243 PolarHBondContact O-N 3.02Å; V239-T243 PolarHBondContact O-OG1 3.39Å; L240-T243 PolarHBondContact O-N 3.06Å; T243-I245 PolarHBondContact O-N 3.5Å; T243-K246 PolarHBondContact O-N 3.34Å; T243-L247 WeakPolarHBondContact O-CB 3.36Å; T243-L247 PolarHBondContact O-N 3.05Å
244	N	66.3	Low	63.3	Low	107 Å²	107	105.2 Å²	105.2	57%	0.572	53%	0.526	S	S	*	.	H	α-helix	trans	-64.3	-38.4	175.5	-74	-24.4	0	0	0	112.1	L240 Q241 L247 S248	L240-N244 WeakPolarHBondContact O-CB 3.5Å; L240-N244 VanDerWaalsContact O-CG 3.23Å; L240-N244 PolarHBondContact O-N 3.27Å; L240-N244 PolarHBondContact O-ND2 3.35Å; Q241-N244 PolarHBondContact O-N 3.46Å; N244-L247 PolarHBondContact O-N 3.1Å; N244-S248 WeakPolarHBondContact O-CB 3.31Å; N244-S248 PolarHBondContact O-N 2.84Å; N244-S248 PolarHBondContact O-OG 3.33Å
245	I	64.7	Low	60.8	Low	109 Å²	109	104.2 Å²	104.2	56%	0.559	53%	0.533	S	S	*	.	H	α-helix	trans	-63.3	-49.1	175	-69	163.2	0	0	0	110.6	Q241 I242 T243 L247 S248 S249	Q241-I245 WeakPolarHBondContact O-CD1 3.5Å; Q241-I245 VanDerWaalsContact O-CG1 3.22Å; Q241-I245 WeakPolarHBondContact O-CG1 3.38Å; Q241-I245 PolarHBondContact O-N 3.48Å; I242-I245 PolarHBondContact O-N 2.99Å; T243-I245 PolarHBondContact O-N 3.5Å; I245-L247 VanDerWaalsContact C-N 3.31Å; I245-L247 PolarHBondContact O-N 3.09Å; I245-S248 WeakPolarHBondContact CA-OG 3.4Å; I245-S248 PolarHBondContact O-N 3.45Å; I245-S248 VanDerWaalsContact O-N 3.14Å; I245-S248 PolarHBondContact O-OG 3.33Å; I245-S249 PolarHBondContact O-N 3.41Å; I245-S249 PolarHBondContact O-OG 3.38Å
246	K	56.8	Low	58	Low	134 Å²	134	109 Å²	109	58%	0.583	56%	0.555	S	S	*	*	H	α-helix	trans	-60.4	-39	177.9	-72.1	-178.2	179.3	-175.2	0	112.7	I242 T243 S249 L250	I242-K246 HydrophobicContact CG2-CD 4.37Å; I242-K246 WeakPolarHBondContact O-CG 3.44Å; I242-K246 PolarHBondContact O-N 3.13Å; T243-K246 PolarHBondContact O-N 3.34Å; K246-S249 WeakPolarHBondContact CA-OG 3.32Å; K246-S249 PolarHBondContact O-N 2.86Å; K246-S249 PolarHBondContact O-OG 2.81Å; K246-L250 WeakPolarHBondContact O-CG 3.43Å; K246-L250 PolarHBondContact O-N 2.95Å
247	L	58.2	Low	55.7	Low	98 Å²	98	113.5 Å²	113.5	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-70.7	-33.9	177.5	-147.8	75.2	0	0	0	111.8	T243 N244 I245 K251	T243-L247 WeakPolarHBondContact O-CB 3.36Å; T243-L247 PolarHBondContact O-N 3.05Å; N244-L247 PolarHBondContact O-N 3.1Å; I245-L247 VanDerWaalsContact C-N 3.31Å; I245-L247 PolarHBondContact O-N 3.09Å; L247-K251 PolarHBondContact O-N 3.47Å
248	S	55	Low	53.2	Low	66 Å²	66	120.3 Å²	120.3	46%	0.462	61%	0.608	S	S	.	*	H	α-helix	trans	-71.4	-31.4	174.7	75.2	0	0	0	0	113.1	N244 I245	N244-S248 WeakPolarHBondContact O-CB 3.31Å; N244-S248 PolarHBondContact O-N 2.84Å; N244-S248 PolarHBondContact O-OG 3.33Å; I245-S248 WeakPolarHBondContact CA-OG 3.4Å; I245-S248 PolarHBondContact O-N 3.45Å; I245-S248 VanDerWaalsContact O-N 3.14Å; I245-S248 PolarHBondContact O-OG 3.33Å
249	S	48.3	Very low	50.6	Low	77 Å²	77	118.7 Å²	118.7	54%	0.538	62%	0.616	S	S	.	*	H	α-helix	trans	-73.6	-31.5	175.3	56.8	0	0	0	0	112.9	I245 K246 K251	I245-S249 PolarHBondContact O-N 3.41Å; I245-S249 PolarHBondContact O-OG 3.38Å; K246-S249 WeakPolarHBondContact CA-OG 3.32Å; K246-S249 PolarHBondContact O-N 2.86Å; K246-S249 PolarHBondContact O-OG 2.81Å; S249-K251 VanDerWaalsContact C-N 3.31Å
250	L	46.1	Very low	48.3	Very low	144 Å²	144	121.5 Å²	121.5	75%	0.754	63%	0.633	S	S	*	*	H	α-helix	trans	-73.9	-20.7	175.7	-71.8	167	0	0	0	113.3	K246	K246-L250 WeakPolarHBondContact O-CG 3.43Å; K246-L250 PolarHBondContact O-N 2.95Å
251	K	43.3	Very low	46.3	Very low	163 Å²	163	131 Å²	131	71%	0.709	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	10.4	-179.9	-78.4	-171.7	177.6	-172.5	0	114.7	L247 S249 P253	L247-K251 PolarHBondContact O-N 3.47Å; S249-K251 VanDerWaalsContact C-N 3.31Å; K251-P253 WeakPolarHBondContact O-CD 3.48Å
252	K	29.1	Very low	44.2	Very low	175 Å²	175	136.7 Å²	136.7	76%	0.761	69%	0.689	S	S	*	*			trans	-89.1	99.3	171.1	-77.1	-170.9	176.9	-176.1	0	110.3
253	P	32.9	Very low	42.2	Very low	100 Å²	100	138.3 Å²	138.3	65%	0.649	71%	0.706	S	S	*	*			trans	-63.8	140.7	160.9	27.8	-32.1	0	0	0	108.9	K251 S255	K251-P253 WeakPolarHBondContact O-CD 3.48Å; P253-S255 VanDerWaalsContact C-N 3.26Å; P253-S255 PolarHBondContact O-N 2.82Å
254	K	32.5	Very low	40.3	Very low	224 Å²	224	138.7 Å²	138.7	97%	0.974	72%	0.717	S	S	*	*	S	Bend	trans	-63.3	86.9	168.5	-69.3	179.2	178	179	0	108.5
255	S	33.7	Very low	38.7	Very low	85 Å²	85	137.6 Å²	137.6	59%	0.594	72%	0.716	S	S	*	*			trans	-151	117.9	167.9	59.4	0	0	0	0	110	P253 I257	P253-S255 VanDerWaalsContact C-N 3.26Å; P253-S255 PolarHBondContact O-N 2.82Å; S255-I257 PolarHBondContact O-N 3.14Å
256	H	30	Very low	37.5	Very low	198 Å²	198	139.7 Å²	139.7	92%	0.917	73%	0.726	S	S	*	*			trans	-58	95.1	176.6	-84.3	-105.5	0	0	0	111.9
257	I	35.8	Very low	36.5	Very low	152 Å²	152	140 Å²	140	78%	0.779	73%	0.733	S	S	*	*			trans	-140.8	112.8	158	-59.2	-177.4	0	0	0	108.8	S255 A259	S255-I257 PolarHBondContact O-N 3.14Å; I257-A259 PolarHBondContact O-N 3.31Å
258	K	28.3	Very low	35.7	Very low	214 Å²	214	140.6 Å²	140.6	93%	0.93	74%	0.736	S	S	*	*			trans	-64.1	113	170.4	-75	174.4	175.8	174.6	0	108.8
259	A	29	Very low	34.7	Very low	79 Å²	79	141.3 Å²	141.3	65%	0.653	73%	0.734	S	S	*	*			trans	178.2	133.6	150	0	0	0	0	0	113.3	I257	I257-A259 PolarHBondContact O-N 3.31Å
260	T	30.8	Very low	34.3	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	74%	0.743	S	S	*	*			trans	88.3	105.7	147.5	59.4	0	0	0	0	121.8
261	R	32.2	Very low	33.8	Very low	247 Å²	247	144 Å²	144	93%	0.932	74%	0.738	S	S	*	*			trans	38.6	115.3	142.3	-80	178.6	172.7	153.2	-2	119.7
262	K	30.9	Very low	33.7	Very low	204 Å²	204	142.4 Å²	142.4	89%	0.887	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55.5	140.3	164.6	-64	176.2	178.8	176.4	0	110.9	A264	K262-A264 PolarHBondContact O-N 3.36Å
263	P	31.5	Very low	34.3	Very low	127 Å²	127	136.7 Å²	136.7	83%	0.825	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-73.6	121.1	167.6	30.6	-28.8	0	0	0	108.5
264	A	30.6	Very low	34.7	Very low	83 Å²	83	139.5 Å²	139.5	69%	0.686	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-70.3	142	174.8	0	0	0	0	0	110.3	K262 I266	K262-A264 PolarHBondContact O-N 3.36Å; A264-I266 PolarHBondContact O-N 3.37Å
265	P	33.7	Very low	35.1	Very low	84 Å²	84	133.3 Å²	133.3	55%	0.545	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-67.2	128.1	171.7	29.3	-30.8	0	0	0	108.5	I267	P265-I267 PolarHBondContact O-N 2.96Å
266	I	37.9	Very low	35.4	Very low	153 Å²	153	134.5 Å²	134.5	79%	0.785	69%	0.685	S	S	*	*			trans	-71.5	87.2	171.1	-59.1	171.8	0	0	0	107.3	A264 I268	A264-I266 PolarHBondContact O-N 3.37Å; I266-I268 HydrophobicContact CG2-CG1 4.11Å
267	I	36.1	Very low	36.2	Very low	140 Å²	140	127.6 Å²	127.6	72%	0.718	65%	0.654	S	S	*	*			trans	-77.1	112.4	156.8	-60.5	177.1	0	0	0	104.7	P265 N269	P265-I267 PolarHBondContact O-N 2.96Å; I267-N269 VanDerWaalsContact C-N 3.31Å; I267-N269 PolarHBondContact O-N 3.49Å
268	I	42.4	Very low	36.5	Very low	111 Å²	111	125.7 Å²	125.7	57%	0.569	64%	0.64	S	S	*	*			trans	-67.6	96.5	174.6	-59.8	173.3	0	0	0	106.8	I266 L270 V273	I266-I268 HydrophobicContact CG2-CG1 4.11Å; I268-L270 PolarHBondContact O-N 2.82Å; I268-V273 HydrophobicContact CG2-CG2 3.7Å
269	N	33	Very low	37	Very low	81 Å²	81	117.5 Å²	117.5	43%	0.433	62%	0.616	S	S	.	*			trans	-71.4	119.7	167.7	-171.3	-14.7	0	0	0	107.4	I267 Q271 Q272 V273	I267-N269 VanDerWaalsContact C-N 3.31Å; I267-N269 PolarHBondContact O-N 3.49Å; N269-Q271 PolarHBondContact O-N 3.39Å; N269-Q271 VanDerWaalsContact OD1-CB 3.27Å; N269-Q271 WeakPolarHBondContact OD1-CB 3.02Å; N269-Q271 PolarHBondContact OD1-N 2.82Å; N269-Q271 VanDerWaalsContact OD1-N 3.1Å; N269-Q272 WeakPolarHBondContact O-CB 3.34Å; N269-Q272 PolarHBondContact O-N 3.34Å; N269-V273 PolarHBondContact O-N 3.48Å
270	L	40.9	Very low	37.6	Very low	139 Å²	139	121 Å²	121	73%	0.728	62%	0.617	S	S	*	*	H	α-helix	trans	-51.8	-28.4	176.3	-84.4	154.6	0	0	0	111.8	I268 V273 W274	I268-L270 PolarHBondContact O-N 2.82Å; L270-V273 PolarHBondContact O-N 3.44Å; L270-W274 PolarHBondContact O-N 3.14Å
271	Q	35.9	Very low	38	Very low	137 Å²	137	121 Å²	121	64%	0.64	61%	0.61	S	S	*	*	H	α-helix	trans	-66.9	-34.6	175.8	-153.5	161	-9.4	0	0	112.9	N269 W274 E275	N269-Q271 PolarHBondContact O-N 3.39Å; N269-Q271 VanDerWaalsContact OD1-CB 3.27Å; N269-Q271 WeakPolarHBondContact OD1-CB 3.02Å; N269-Q271 PolarHBondContact OD1-N 2.82Å; N269-Q271 VanDerWaalsContact OD1-N 3.1Å; Q271-W274 PolarHBondContact O-N 2.91Å; Q271-E275 WeakPolarHBondContact O-CG 3.4Å; Q271-E275 PolarHBondContact O-N 3.48Å
272	Q	40.5	Very low	38.2	Very low	131 Å²	131	112.4 Å²	112.4	61%	0.612	60%	0.599	S	S	*	*	H	α-helix	trans	-73.1	-29.9	175.6	-157.8	102.9	27.6	0	0	112	N269 N276	N269-Q272 WeakPolarHBondContact O-CB 3.34Å; N269-Q272 PolarHBondContact O-N 3.34Å; Q272-N276 WeakPolarHBondContact O-CB 3.46Å; Q272-N276 PolarHBondContact O-N 2.93Å; Q272-N276 VanDerWaalsContact O-N 3.07Å; Q272-N276 PolarHBondContact O-ND2 2.64Å
273	V	42.7	Very low	38.4	Very low	55 Å²	55	111.2 Å²	111.2	33%	0.333	59%	0.594	S	S	.	*	H	α-helix	trans	-68	-43	172.5	178.6	0	0	0	0	109.6	I268 N269 L270 N276 I277	I268-V273 HydrophobicContact CG2-CG2 3.7Å; N269-V273 PolarHBondContact O-N 3.48Å; L270-V273 PolarHBondContact O-N 3.44Å; V273-N276 PolarHBondContact O-N 3.3Å; V273-I277 HydrophobicContact CG1-CD1 4.02Å; V273-I277 WeakPolarHBondContact O-CD1 3.41Å; V273-I277 VanDerWaalsContact O-CG1 3.22Å; V273-I277 WeakPolarHBondContact O-CG1 3.5Å; V273-I277 PolarHBondContact O-N 2.89Å
274	W	39.9	Very low	38.6	Very low	158 Å²	158	110.8 Å²	110.8	60%	0.598	59%	0.588	S	S	*	*	H	α-helix	trans	-61.4	-43	175	-171.1	-108	0	0	0	113	L270 Q271 I277 K278	L270-W274 PolarHBondContact O-N 3.14Å; Q271-W274 PolarHBondContact O-N 2.91Å; W274-I277 WeakPolarHBondContact O-CB 3.49Å; W274-I277 PolarHBondContact O-N 3.49Å; W274-I277 VanDerWaalsContact O-N 3.14Å; W274-K278 PolarHBondContact O-N 2.8Å
275	E	40.4	Very low	38.6	Very low	94 Å²	94	114.2 Å²	114.2	44%	0.439	60%	0.595	S	S	.	*	H	α-helix	trans	-69.3	-34	177.3	-70.5	-57.8	133.5	0	0	112.8	Q271 I277 K278 G279	Q271-E275 WeakPolarHBondContact O-CG 3.4Å; Q271-E275 PolarHBondContact O-N 3.48Å; E275-I277 VanDerWaalsContact C-N 3.28Å; E275-I277 PolarHBondContact O-N 3.31Å; E275-K278 PolarHBondContact O-N 3.08Å; E275-K278 IonicContact OE1-NZ 2.96Å; E275-K278 PolarHBondContact OE1-NZ 2.85Å; E275-K278 IonicContact OE2-NZ 3.8Å; E275-G279 PolarHBondContact O-N 2.83Å
276	N	41.3	Very low	38.5	Very low	110 Å²	110	117.4 Å²	117.4	59%	0.588	61%	0.606	S	S	*	*	H	α-helix	trans	-68.5	-25.9	170.8	-80.1	-41.7	0	0	0	113.2	Q272 V273 K280	Q272-N276 WeakPolarHBondContact O-CB 3.46Å; Q272-N276 PolarHBondContact O-N 2.93Å; Q272-N276 VanDerWaalsContact O-N 3.07Å; Q272-N276 PolarHBondContact O-ND2 2.64Å; V273-N276 PolarHBondContact O-N 3.3Å; N276-K280 PolarHBondContact O-N 3.3Å
277	I	47.4	Very low	38.1	Very low	53 Å²	53	118.7 Å²	118.7	27%	0.272	61%	0.614	S	S	.	*	H	α-helix	trans	-72.9	-44.8	173.3	-70	163.1	0	0	0	109.8	V273 W274 E275 G279 K280 I281 F553	V273-I277 HydrophobicContact CG1-CD1 4.02Å; V273-I277 WeakPolarHBondContact O-CD1 3.41Å; V273-I277 VanDerWaalsContact O-CG1 3.22Å; V273-I277 WeakPolarHBondContact O-CG1 3.5Å; V273-I277 PolarHBondContact O-N 2.89Å; W274-I277 WeakPolarHBondContact O-CB 3.49Å; W274-I277 PolarHBondContact O-N 3.49Å; W274-I277 VanDerWaalsContact O-N 3.14Å; E275-I277 VanDerWaalsContact C-N 3.28Å; E275-I277 PolarHBondContact O-N 3.31Å; I277-G279 VanDerWaalsContact C-N 3.34Å; I277-G279 PolarHBondContact O-N 2.93Å; I277-K280 PolarHBondContact O-N 3.23Å; I277-I281 HydrophobicContact CG2-CD1 3.94Å; I277-I281 WeakPolarHBondContact O-CG1 3.24Å; I277-I281 PolarHBondContact O-N 3.46Å; I277-F553 HydrophobicContact CD1-CE1 4.06Å; I277-F553 HydrophobicContact CD1-CZ 4.44Å
278	K	41	Very low	37.6	Very low	113 Å²	113	123.1 Å²	123.1	49%	0.491	62%	0.621	S	S	.	*	H	α-helix	trans	-56.7	-44.8	172.3	-79.1	-178.1	-177.1	164.3	0	112.4	W274 E275 K280 I281 G282	W274-K278 PolarHBondContact O-N 2.8Å; E275-K278 PolarHBondContact O-N 3.08Å; E275-K278 IonicContact OE1-NZ 2.96Å; E275-K278 PolarHBondContact OE1-NZ 2.85Å; E275-K278 IonicContact OE2-NZ 3.8Å; K278-K280 VanDerWaalsContact C-N 3.26Å; K278-K280 PolarHBondContact O-N 3.16Å; K278-I281 PolarHBondContact O-N 3.09Å; K278-G282 PolarHBondContact O-N 3.19Å
279	G	38.5	Very low	36.8	Very low	41 Å²	41	125 Å²	125	42%	0.423	63%	0.633	S	S	.	*	H	α-helix	trans	-66.1	-20.6	-179.4	0	0	0	0	0	115.3	E275 I277	E275-G279 PolarHBondContact O-N 2.83Å; I277-G279 VanDerWaalsContact C-N 3.34Å; I277-G279 PolarHBondContact O-N 2.93Å
280	K	42.2	Very low	36.8	Very low	154 Å²	154	130 Å²	130	67%	0.67	65%	0.653	S	S	*	*	H	α-helix	trans	-88	-26.3	174.4	-89.8	-179.7	177.4	173.3	0	113.6	N276 I277 K278	N276-K280 PolarHBondContact O-N 3.3Å; I277-K280 PolarHBondContact O-N 3.23Å; K278-K280 VanDerWaalsContact C-N 3.26Å; K278-K280 PolarHBondContact O-N 3.16Å
281	I	39.1	Very low	36.2	Very low	125 Å²	125	128 Å²	128	64%	0.641	65%	0.652	S	S	*	*	H	α-helix	trans	-75.9	-29.5	177	-64.8	165.4	0	0	0	110.4	I277 K278	I277-I281 HydrophobicContact CG2-CD1 3.94Å; I277-I281 WeakPolarHBondContact O-CG1 3.24Å; I277-I281 PolarHBondContact O-N 3.46Å; K278-I281 PolarHBondContact O-N 3.09Å
282	G	35.7	Very low	35.7	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-5.6	176.5	0	0	0	0	0	117.1	K278	K278-G282 PolarHBondContact O-N 3.19Å
283	K	36.6	Very low	35.1	Very low	179 Å²	179	130 Å²	130	78%	0.778	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	15	-174.5	-79.3	-174.5	176.6	-178.8	0	115.1
284	V	34.8	Very low	34.5	Very low	118 Å²	118	132.8 Å²	132.8	72%	0.715	69%	0.691	S	S	*	*	S	Bend	trans	-92	-5.2	-177.2	177	0	0	0	0	113.7
285	N	30.1	Very low	34	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	70%	0.701	S	S	*	*	S	Bend	trans	-117.1	10.1	-173.3	-87.5	-6.4	0	0	0	117.9
286	I	31.2	Very low	33.4	Very low	152 Å²	152	136.7 Å²	136.7	78%	0.779	72%	0.717	S	S	*	*	S	Bend	trans	-138.9	122.1	178.2	-51.9	175.7	0	0	0	108.1
287	L	30.4	Very low	32.8	Very low	180 Å²	180	138.1 Å²	138.1	94%	0.942	73%	0.73	S	S	*	*			trans	129.1	54.9	175.9	-68.4	168.6	0	0	0	111.7
288	R	25.4	Very low	31.7	Very low	232 Å²	232	142 Å²	142	88%	0.875	76%	0.76	S	S	*	*			trans	-131.7	123	154.7	-154.2	179.9	-152.2	165.7	3	104.9
289	N	26.4	Very low	31.1	Very low	152 Å²	152	141.8 Å²	141.8	81%	0.813	77%	0.771	S	S	*	*			trans	95.5	101.2	-176.8	-58.9	-8.3	0	0	0	115.9
290	Q	33.1	Very low	30.9	Very low	184 Å²	184	151.1 Å²	151.1	86%	0.86	80%	0.795	S	S	*	*			trans	165.6	90.4	142.7	-91.4	173.9	7.3	0	0	105.9
291	S	27.2	Very low	30.2	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	80%	0.804	S	S	*	*				63.1	101.7	91.3	82.8	0	0	0	0	111.7
292	S	26.6	Very low	29.7	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	81%	0.805	S	S	*	*				80.4	121.4	95.6	70	0	0	0	0	115.1
293	K	27.1	Very low	29.5	Very low	209 Å²	209	152.7 Å²	152.7	91%	0.909	81%	0.814	S	S	*	*			trans	64.8	122.1	152.8	-67.5	179.9	175.8	177.3	0	119.5
294	S	29.4	Very low	29	Very low	113 Å²	113	152.4 Å²	152.4	79%	0.79	81%	0.813	S	S	*	*			trans	144.3	95.9	141.1	-175.6	0	0	0	0	110.8
295	K	29.8	Very low	28.5	Very low	187 Å²	187	154.9 Å²	154.9	81%	0.813	82%	0.815	S	S	*	*				55.2	111.6	104.2	-83.9	-171.9	178.6	-178.8	0	116.2
296	N	27.2	Very low	28.3	Very low	146 Å²	146	155.2 Å²	155.2	78%	0.781	81%	0.811	S	S	*	*			trans	36.5	121.9	140.4	-60.1	-5.3	0	0	0	120.1
297	T	29.9	Very low	28.1	Very low	140 Å²	140	153.5 Å²	153.5	86%	0.859	81%	0.813	S	S	*	*				171.7	130.1	111.6	32.2	0	0	0	0	110.6
298	C	24.3	Very low	28	Very low	135 Å²	135	151.7 Å²	151.7	91%	0.912	80%	0.804	S	S	*	*			trans	-112.8	123.2	163.5	-90.5	0	0	0	0	107.9
299	P	29.1	Very low	28.1	Very low	109 Å²	109	149.5 Å²	149.5	71%	0.708	80%	0.804	S	S	*	*			trans	-94.8	125.2	165.9	33.3	-24.1	0	0	0	109
300	Y	33	Very low	28.1	Very low	236 Å²	236	150.2 Å²	150.2	93%	0.925	81%	0.808	S	S	*	*			trans	-176.7	95.8	133.7	-98	-69.6	0	0	0	107.6
301	S	28.8	Very low	27.7	Very low	123 Å²	123	145 Å²	145	86%	0.86	80%	0.802	S	S	*	*			trans	-82	156.3	174.8	46.7	0	0	0	0	111.4
302	G	28.5	Very low	27.6	Very low	64 Å²	64	145.6 Å²	145.6	66%	0.66	81%	0.806	S	S	*	*			trans	136.5	76.3	158.4	0	0	0	0	0	114.8
303	H	29.8	Very low	27.5	Very low	193 Å²	193	148.4 Å²	148.4	89%	0.894	81%	0.813	S	S	*	*				177	145.2	110.7	-99.4	-84	0	0	0	111.8
304	F	27.3	Very low	27.5	Very low	173 Å²	173	146.8 Å²	146.8	76%	0.759	81%	0.808	S	S	*	*			trans	-65.6	138.5	-161.9	-94.9	-117	0	0	0	117.5
305	F	24.1	Very low	27.3	Very low	169 Å²	169	148.9 Å²	148.9	74%	0.741	81%	0.809	S	S	*	*				42.7	127.2	125	-70.9	-100	0	0	0	119.7
306	H	26.8	Very low	27.1	Very low	162 Å²	162	150.2 Å²	150.2	75%	0.75	81%	0.81	S	S	*	*				-170.9	146.3	79.2	-135.3	-90.8	0	0	0	109.6
307	S	25.1	Very low	27	Very low	117 Å²	117	147.8 Å²	147.8	82%	0.818	81%	0.811	S	S	*	*			trans	-100.5	129.2	-179.4	-63.6	0	0	0	0	109.9
308	D	28.6	Very low	26.8	Very low	142 Å²	142	146.8 Å²	146.8	76%	0.759	81%	0.81	S	S	*	*			trans	-137.8	120.9	173.1	-52.1	50.3	0	0	0	107
309	E	27.3	Very low	26.9	Very low	186 Å²	186	147 Å²	147	87%	0.869	81%	0.811	S	S	*	*	S	Bend	trans	-67	144	-177	-66.4	173.7	144.5	0	0	111.7
310	N	26.4	Very low	26.8	Very low	167 Å²	167	149 Å²	149	89%	0.893	82%	0.815	S	S	*	*	S	Bend	trans	88.9	87.7	176.4	-52.1	-38.9	0	0	0	116.9
311	G	25.6	Very low	26.5	Very low	73 Å²	73	145.6 Å²	145.6	75%	0.753	81%	0.812	S	S	*	*			trans	154.2	149.8	155.8	0	0	0	0	0	117
312	C	25.5	Very low	26.4	Very low	112 Å²	112	146.6 Å²	146.6	76%	0.757	81%	0.808	S	S	*	*			trans	77.9	102.1	166.7	-73.2	0	0	0	0	116.6
313	N	25	Very low	26.5	Very low	160 Å²	160	153 Å²	153	86%	0.856	82%	0.82	S	S	*	*				35.6	69.8	54.8	-84.8	-9.8	0	0	0	112.3
314	Q	27	Very low	26.4	Very low	175 Å²	175	152.3 Å²	152.3	82%	0.818	81%	0.814	S	S	*	*			trans	-178.7	84.2	151.1	-102.5	168.4	31.5	0	0	110
315	I	25.2	Very low	26.5	Very low	157 Å²	157	152.3 Å²	152.3	81%	0.805	82%	0.816	S	S	*	*			trans	-113.7	130	162.9	-54.7	-178.8	0	0	0	106.1
316	Y	24.6	Very low	26.7	Very low	215 Å²	215	149.7 Å²	149.7	84%	0.843	82%	0.816	S	S	*	*	S	Bend	trans	87.9	56.9	-175.6	-76.2	-86.1	0	0	0	118.3
317	A	25.9	Very low	26.7	Very low	96 Å²	96	151 Å²	151	79%	0.793	82%	0.82	S	S	*	*			trans	-152.6	67	153	0	0	0	0	0	112
318	S	25.4	Very low	26.8	Very low	119 Å²	119	153.3 Å²	153.3	83%	0.832	82%	0.823	S	S	*	*			trans	-158.2	45.5	168.8	-148.9	0	0	0	0	115.3
319	C	25.3	Very low	26.8	Very low	138 Å²	138	150.3 Å²	150.3	93%	0.932	81%	0.813	S	S	*	*			trans	-127.1	41.2	165.4	-98	0	0	0	0	112.1
320	L	26.8	Very low	27	Very low	153 Å²	153	149.6 Å²	149.6	80%	0.801	81%	0.808	S	S	*	*	S	Bend	trans	-121.9	113.3	166.1	-87.8	160.2	0	0	0	107
321	L	27.2	Very low	27.2	Very low	163 Å²	163	152.7 Å²	152.7	85%	0.853	81%	0.807	S	S	*	*	S	Bend	trans	107	123.3	178.5	-60.3	153.5	0	0	0	112.5
322	N	26.1	Very low	27.3	Very low	145 Å²	145	152.8 Å²	152.8	78%	0.775	80%	0.796	S	S	*	*			trans	77.1	85.3	174.6	-56.5	-22.1	0	0	0	116.6
323	H	32.1	Very low	27.6	Very low	197 Å²	197	151.1 Å²	151.1	91%	0.912	78%	0.779	S	S	*	*				-149.8	106.1	128.7	-100.3	-72	0	0	0	110.2
324	K	27.9	Very low	27.9	Very low	179 Å²	179	147.4 Å²	147.4	78%	0.778	76%	0.76	S	S	*	*			trans	-65.7	149.1	153.6	-85.5	174	170.6	175.8	0	107.8
325	H	28.7	Very low	28.2	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.806	75%	0.749	S	S	*	*			trans	98.7	105.1	177.1	-67.6	-84.4	0	0	0	116.1
326	P	27.5	Very low	28.6	Very low	113 Å²	113	142 Å²	142	73%	0.734	74%	0.736	S	S	*	*			trans	-106.5	65.2	176.2	38.8	-28.2	0	0	0	111.2
327	F	28.4	Very low	29.4	Very low	191 Å²	191	133.3 Å²	133.3	84%	0.838	70%	0.704	S	S	*	*	S	Bend	trans	-151	134.4	160.7	-82.2	-82.3	0	0	0	105.2
328	D	25.8	Very low	30.4	Very low	165 Å²	165	132 Å²	132	88%	0.882	68%	0.682	S	S	*	*	S	Bend	trans	94.5	63.6	-178	-49.7	-28.5	0	0	0	118
329	S	28.7	Very low	31.2	Very low	78 Å²	78	130.9 Å²	130.9	55%	0.545	66%	0.664	S	S	.	*			trans	-163.9	38.6	157.1	57	0	0	0	0	115.7	R331	S329-R331 VanDerWaalsContact C-N 3.27Å; S329-R331 PolarHBondContact O-N 2.99Å; S329-R331 VanDerWaalsContact O-N 3.13Å
330	F	31	Very low	32.2	Very low	172 Å²	172	127.9 Å²	127.9	75%	0.754	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	14.4	-175.8	-106.1	-78.7	0	0	0	116.4
331	R	31.3	Very low	33.2	Very low	232 Å²	232	122.4 Å²	122.4	88%	0.875	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	-19.4	-173.1	-159.8	170.6	-178.4	171.2	-1.8	115	S329	S329-R331 VanDerWaalsContact C-N 3.27Å; S329-R331 PolarHBondContact O-N 2.99Å; S329-R331 VanDerWaalsContact O-N 3.13Å
332	S	28.5	Very low	34.3	Very low	75 Å²	75	122.3 Å²	122.3	52%	0.524	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-27.1	-179.8	39.1	0	0	0	0	113.6	D334	S332-D334 VanDerWaalsContact C-N 3.35Å; S332-D334 PolarHBondContact O-N 3Å
333	D	31	Very low	35.3	Very low	76 Å²	76	119.4 Å²	119.4	41%	0.406	58%	0.581	S	S	.	*	H	α-helix	trans	-65.3	-34.8	-177.9	-75.6	-12.7	0	0	0	112.8	I335 L336 N337	D333-I335 VanDerWaalsContact C-N 3.3Å; D333-I335 PolarHBondContact O-N 3Å; D333-L336 PolarHBondContact O-N 3.36Å; D333-N337 WeakPolarHBondContact O-CB 3.45Å; D333-N337 PolarHBondContact O-N 3.08Å; D333-N337 PolarHBondContact O-ND2 3.39Å
334	D	31.8	Very low	36.2	Very low	83 Å²	83	114.1 Å²	114.1	44%	0.444	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-30.2	-174	-77.3	-17.4	0	0	0	113.1	S332 E338 K555	S332-D334 VanDerWaalsContact C-N 3.35Å; S332-D334 PolarHBondContact O-N 3Å; D334-E338 PolarHBondContact O-N 2.96Å; D334-K555 IonicContact OD2-NZ 2.6Å
335	I	33.4	Very low	37.3	Very low	117 Å²	117	110.8 Å²	110.8	60%	0.6	54%	0.537	S	S	*	.	H	α-helix	trans	-79.8	-46.9	178.5	-60.9	176	0	0	0	110.8	D333 N337 E338 E339	D333-I335 VanDerWaalsContact C-N 3.3Å; D333-I335 PolarHBondContact O-N 3Å; I335-N337 PolarHBondContact O-N 3.17Å; I335-E338 PolarHBondContact O-N 3.25Å; I335-E338 VanDerWaalsContact O-N 3.14Å; I335-E339 PolarHBondContact O-N 3.34Å; I335-E339 VanDerWaalsContact O-N 3.15Å
336	L	33.3	Very low	38.6	Very low	102 Å²	102	107.2 Å²	107.2	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-35.8	176.6	-173	66.9	0	0	0	111.3	D333 E339 I340	D333-L336 PolarHBondContact O-N 3.36Å; L336-E339 PolarHBondContact O-N 2.93Å; L336-I340 HydrophobicContact CD1-CD1 4.46Å; L336-I340 HydrophobicContact CG-CD1 3.98Å; L336-I340 WeakPolarHBondContact O-CD1 3.26Å; L336-I340 VanDerWaalsContact O-CG1 3.24Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.47Å
337	N	40.4	Very low	39.6	Very low	32 Å²	32	107.9 Å²	107.9	17%	0.171	51%	0.512	C	S	.	.	H	α-helix	trans	-71	-32.7	177.6	-69.8	-31.1	0	0	0	113.6	D333 I335 D341 F487	D333-N337 WeakPolarHBondContact O-CB 3.45Å; D333-N337 PolarHBondContact O-N 3.08Å; D333-N337 PolarHBondContact O-ND2 3.39Å; I335-N337 PolarHBondContact O-N 3.17Å; N337-D341 PolarHBondContact O-N 3.3Å; N337-F487 HydrophobicContact CB-CE1 4.3Å; N337-F487 HydrophobicContact CB-CZ 3.71Å; N337-F487 WeakPolarHBondContact ND2-CE2 3.49Å; N337-F487 VanDerWaalsContact ND2-CZ 3.29Å; N337-F487 WeakPolarHBondContact ND2-CZ 3.11Å; N337-F487 WeakPolarHBondContact OD1-CE2 3.16Å; N337-F487 VanDerWaalsContact OD1-CZ 3.24Å; N337-F487 WeakPolarHBondContact OD1-CZ 3.12Å
338	E	47.2	Very low	40.7	Very low	67 Å²	67	100.4 Å²	100.4	31%	0.313	48%	0.48	S	S	.	.	H	α-helix	trans	-70.6	-35.3	173.5	-82.8	-173.9	166.2	0	0	111.6	R78 D334 I335 R342	R78-E338 IonicContact CZ-OE2 2.98Å; R78-E338 IonicContact NH1-OE1 3.66Å; R78-E338 PolarHBondContact NH1-OE1 3.35Å; R78-E338 IonicContact NH1-OE2 2.78Å; R78-E338 PolarHBondContact NH1-OE2 3.19Å; D334-E338 PolarHBondContact O-N 2.96Å; I335-E338 PolarHBondContact O-N 3.25Å; I335-E338 VanDerWaalsContact O-N 3.14Å; E338-R342 WeakPolarHBondContact O-CG 3.47Å; E338-R342 PolarHBondContact O-N 2.76Å; E338-R342 VanDerWaalsContact O-N 3.13Å
339	E	43.5	Very low	41.8	Very low	97 Å²	97	96.8 Å²	96.8	45%	0.453	46%	0.46	S	S	.	.	H	α-helix	trans	-75.6	-38	180	-164.2	149.6	-155.8	0	0	112.6	I335 L336 R342 N343	I335-E339 PolarHBondContact O-N 3.34Å; I335-E339 VanDerWaalsContact O-N 3.15Å; L336-E339 PolarHBondContact O-N 2.93Å; E339-R342 PolarHBondContact O-N 3.49Å; E339-N343 WeakPolarHBondContact O-CB 3.47Å; E339-N343 PolarHBondContact O-N 2.92Å
340	I	45.3	Very low	42.7	Very low	75 Å²	75	96.3 Å²	96.3	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-42.3	173.2	-68.1	167	0	0	0	111.6	L336 N343 Y344	L336-I340 HydrophobicContact CD1-CD1 4.46Å; L336-I340 HydrophobicContact CG-CD1 3.98Å; L336-I340 WeakPolarHBondContact O-CD1 3.26Å; L336-I340 VanDerWaalsContact O-CG1 3.24Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.47Å; I340-N343 PolarHBondContact O-N 2.64Å; I340-Y344 VanDerWaalsContact O-CB 3.29Å; I340-Y344 WeakPolarHBondContact O-CB 3.23Å; I340-Y344 PolarHBondContact O-N 3.23Å
341	D	47.6	Very low	43.6	Very low	37 Å²	37	92.9 Å²	92.9	20%	0.198	44%	0.44	C	S	.	.	H	α-helix	trans	-65	-39.4	176.3	-173.5	24.7	0	0	0	111.1	N337 R345 R491	N337-D341 PolarHBondContact O-N 3.3Å; D341-R345 WeakPolarHBondContact O-CB 3.5Å; D341-R345 VanDerWaalsContact O-CG 3.24Å; D341-R345 WeakPolarHBondContact O-CG 3.47Å; D341-R345 PolarHBondContact O-N 3.25Å; D341-R345 IonicContact OD1-CZ 2.71Å; D341-R345 IonicContact OD1-NE 3.96Å; D341-R345 PolarHBondContact OD1-NE 3.35Å; D341-R345 IonicContact OD1-NH2 3.95Å; D341-R345 IonicContact OD2-NE 3.93Å; D341-R345 IonicContact OD2-NH2 2.68Å; D341-R491 IonicContact OD2-NH1 3.87Å
342	R	50.4	Low	44.3	Very low	161 Å²	161	87.2 Å²	87.2	61%	0.608	42%	0.422	S	S	*	.	H	α-helix	trans	-63.7	-51.1	173.9	-81.3	-169.2	-75.3	177.9	1.4	112.3	E338 E339 Y344 R345 Q346	E338-R342 WeakPolarHBondContact O-CG 3.47Å; E338-R342 PolarHBondContact O-N 2.76Å; E338-R342 VanDerWaalsContact O-N 3.13Å; E339-R342 PolarHBondContact O-N 3.49Å; R342-Y344 VanDerWaalsContact C-N 3.31Å; R342-Y344 PolarHBondContact O-N 3.45Å; R342-R345 PolarHBondContact O-N 2.88Å; R342-Q346 WeakPolarHBondContact O-CB 3.33Å; R342-Q346 PolarHBondContact O-N 3.46Å
343	N	47.8	Very low	45	Very low	84 Å²	84	89.1 Å²	89.1	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-36.5	179.8	-81	-20.5	0	0	0	112.7	E339 I340 K347	E339-N343 WeakPolarHBondContact O-CB 3.47Å; E339-N343 PolarHBondContact O-N 2.92Å; I340-N343 PolarHBondContact O-N 2.64Å; N343-K347 PolarHBondContact O-N 3.04Å
344	Y	50.5	Low	45.6	Very low	87 Å²	87	89.6 Å²	89.6	34%	0.341	43%	0.427	S	S	.	.	H	α-helix	trans	-70.9	-42.1	176.5	-174.6	-107	0	0	0	112.4	I340 R342 Q346 K347 I348	I340-Y344 VanDerWaalsContact O-CB 3.29Å; I340-Y344 WeakPolarHBondContact O-CB 3.23Å; I340-Y344 PolarHBondContact O-N 3.23Å; R342-Y344 VanDerWaalsContact C-N 3.31Å; R342-Y344 PolarHBondContact O-N 3.45Å; Y344-Q346 VanDerWaalsContact C-N 3.33Å; Y344-K347 PolarHBondContact O-N 3.42Å; Y344-I348 HydrophobicContact CD1-CD1 3.83Å; Y344-I348 HydrophobicContact CE1-CD1 3.27Å; Y344-I348 HydrophobicContact CE1-CG1 4.21Å; Y344-I348 HydrophobicContact CE2-CD1 4.46Å; Y344-I348 WeakPolarHBondContact O-CG1 3.39Å; Y344-I348 PolarHBondContact O-N 3.29Å
345	R	52	Low	46.2	Very low	108 Å²	108	89.2 Å²	89.2	41%	0.408	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-42.6	173.5	-77.2	172	-176.6	-108.1	4	111.9	D341 R342 I348 L349	D341-R345 WeakPolarHBondContact O-CB 3.5Å; D341-R345 VanDerWaalsContact O-CG 3.24Å; D341-R345 WeakPolarHBondContact O-CG 3.47Å; D341-R345 PolarHBondContact O-N 3.25Å; D341-R345 IonicContact OD1-CZ 2.71Å; D341-R345 IonicContact OD1-NE 3.96Å; D341-R345 PolarHBondContact OD1-NE 3.35Å; D341-R345 IonicContact OD1-NH2 3.95Å; D341-R345 IonicContact OD2-NE 3.93Å; D341-R345 IonicContact OD2-NH2 2.68Å; R342-R345 PolarHBondContact O-N 2.88Å; R345-I348 PolarHBondContact O-N 3.07Å; R345-L349 WeakPolarHBondContact O-CG 3.49Å; R345-L349 PolarHBondContact O-N 3.21Å
346	Q	54.8	Low	46.7	Very low	100 Å²	100	87.9 Å²	87.9	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-60.6	-49.9	176.4	-166.5	59.8	43.5	0	0	110.2	R342 Y344 I348 L349 D350	R342-Q346 WeakPolarHBondContact O-CB 3.33Å; R342-Q346 PolarHBondContact O-N 3.46Å; Y344-Q346 VanDerWaalsContact C-N 3.33Å; Q346-I348 VanDerWaalsContact C-N 3.29Å; Q346-I348 PolarHBondContact O-N 2.64Å; Q346-L349 CarbonylContact O-C 3.55Å; Q346-L349 WeakPolarHBondContact O-CA 3.41Å; Q346-L349 WeakPolarHBondContact O-CB 3.49Å; Q346-L349 PolarHBondContact O-N 2.93Å; Q346-D350 PolarHBondContact NE2-OD1 3.13Å; Q346-D350 PolarHBondContact O-N 3.48Å
347	K	49.8	Very low	47	Very low	126 Å²	126	87.5 Å²	87.5	55%	0.548	42%	0.417	S	S	.	.	H	α-helix	trans	-56.5	-38.8	175	-83.2	-172.9	175.9	-173.2	0	114	N343 Y344 D350 I351	N343-K347 PolarHBondContact O-N 3.04Å; Y344-K347 PolarHBondContact O-N 3.42Å; K347-D350 PolarHBondContact O-N 3.28Å; K347-I351 WeakPolarHBondContact O-CB 3.33Å; K347-I351 WeakPolarHBondContact O-CD1 3.36Å; K347-I351 WeakPolarHBondContact O-CG1 3.25Å; K347-I351 PolarHBondContact O-N 3.46Å
348	I	51.5	Low	46.8	Very low	35 Å²	35	93.7 Å²	93.7	18%	0.179	44%	0.438	C	S	.	.	H	α-helix	trans	-66.6	-39.9	175.9	-71.8	177.4	0	0	0	111.3	T159 Y344 R345 Q346 I351 K352	T159-I348 HydrophobicContact CG2-CD1 4.37Å; Y344-I348 HydrophobicContact CD1-CD1 3.83Å; Y344-I348 HydrophobicContact CE1-CD1 3.27Å; Y344-I348 HydrophobicContact CE1-CG1 4.21Å; Y344-I348 HydrophobicContact CE2-CD1 4.46Å; Y344-I348 WeakPolarHBondContact O-CG1 3.39Å; Y344-I348 PolarHBondContact O-N 3.29Å; R345-I348 PolarHBondContact O-N 3.07Å; Q346-I348 VanDerWaalsContact C-N 3.29Å; Q346-I348 PolarHBondContact O-N 2.64Å; I348-I351 PolarHBondContact O-N 3.44Å; I348-K352 WeakPolarHBondContact O-CG 3.47Å; I348-K352 PolarHBondContact O-N 3.01Å
349	L	47.8	Very low	46.4	Very low	89 Å²	89	97.6 Å²	97.6	47%	0.466	46%	0.456	S	S	.	.	H	α-helix	trans	-65.2	-44.6	175.9	-71.9	165.8	0	0	0	110.7	R345 Q346 I351 K352 M353	R345-L349 WeakPolarHBondContact O-CG 3.49Å; R345-L349 PolarHBondContact O-N 3.21Å; Q346-L349 CarbonylContact O-C 3.55Å; Q346-L349 WeakPolarHBondContact O-CA 3.41Å; Q346-L349 WeakPolarHBondContact O-CB 3.49Å; Q346-L349 PolarHBondContact O-N 2.93Å; L349-I351 VanDerWaalsContact C-N 3.3Å; L349-I351 PolarHBondContact O-N 3.45Å; L349-K352 PolarHBondContact O-N 2.9Å; L349-K352 VanDerWaalsContact O-N 3.07Å; L349-M353 WeakPolarHBondContact O-CG 3.41Å; L349-M353 PolarHBondContact O-N 3.24Å
350	D	48.8	Very low	45.9	Very low	67 Å²	67	101.2 Å²	101.2	36%	0.358	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-38.9	177.2	-54.7	-21.1	0	0	0	111.1	Q346 K347 N354	Q346-D350 PolarHBondContact NE2-OD1 3.13Å; Q346-D350 PolarHBondContact O-N 3.48Å; K347-D350 PolarHBondContact O-N 3.28Å; D350-N354 VanDerWaalsContact O-CB 3.29Å; D350-N354 WeakPolarHBondContact O-CB 3.35Å; D350-N354 PolarHBondContact O-N 3.05Å
351	I	50	Low	45.3	Very low	100 Å²	100	101.6 Å²	101.6	51%	0.513	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-40.8	174	-69.5	163.6	0	0	0	111.2	K347 I348 L349 K355	K347-I351 WeakPolarHBondContact O-CB 3.33Å; K347-I351 WeakPolarHBondContact O-CD1 3.36Å; K347-I351 WeakPolarHBondContact O-CG1 3.25Å; K347-I351 PolarHBondContact O-N 3.46Å; I348-I351 PolarHBondContact O-N 3.44Å; L349-I351 VanDerWaalsContact C-N 3.3Å; L349-I351 PolarHBondContact O-N 3.45Å; I351-K355 WeakPolarHBondContact O-CB 3.11Å; I351-K355 PolarHBondContact O-N 3.34Å; I351-K355 VanDerWaalsContact O-N 3.14Å
352	K	46	Very low	44.5	Very low	114 Å²	114	107.1 Å²	107.1	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-66.1	-43.4	177	-78.8	-175.9	177.7	-175.2	0	111.7	I348 L349 K355 T356	I348-K352 WeakPolarHBondContact O-CG 3.47Å; I348-K352 PolarHBondContact O-N 3.01Å; L349-K352 PolarHBondContact O-N 2.9Å; L349-K352 VanDerWaalsContact O-N 3.07Å; K352-K355 PolarHBondContact O-N 2.92Å; K352-T356 PolarHBondContact O-N 3.36Å; K352-T356 VanDerWaalsContact O-N 3.08Å; K352-T356 PolarHBondContact O-OG1 2.89Å
353	M	43.4	Very low	43.4	Very low	114 Å²	114	104.5 Å²	104.5	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-62.2	-50.2	176.6	-70.4	-179.5	65.4	0	0	110.6	L349 K355 T356 D357	L349-M353 WeakPolarHBondContact O-CG 3.41Å; L349-M353 PolarHBondContact O-N 3.24Å; M353-K355 PolarHBondContact O-N 3.19Å; M353-T356 PolarHBondContact O-N 3.43Å; M353-D357 PolarHBondContact O-N 3.05Å
354	N	43.3	Very low	42.6	Very low	87 Å²	87	106.3 Å²	106.3	47%	0.465	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-17.7	177	-97.6	-31.7	0	0	0	115.4	D350 R358	D350-N354 VanDerWaalsContact O-CB 3.29Å; D350-N354 WeakPolarHBondContact O-CB 3.35Å; D350-N354 PolarHBondContact O-N 3.05Å; N354-R358 WeakPolarHBondContact O-CB 3.31Å; N354-R358 WeakPolarHBondContact O-CG 3.3Å; N354-R358 PolarHBondContact O-NE 2.87Å
355	K	43.8	Very low	41.3	Very low	74 Å²	74	110.8 Å²	110.8	32%	0.322	55%	0.554	S	S	.	*	H	α-helix	trans	-87.6	-36.6	174.7	-160	-179.6	-169.2	152.5	0	111.6	I351 K352 M353 E359 E392	I351-K355 WeakPolarHBondContact O-CB 3.11Å; I351-K355 PolarHBondContact O-N 3.34Å; I351-K355 VanDerWaalsContact O-N 3.14Å; K352-K355 PolarHBondContact O-N 2.92Å; M353-K355 PolarHBondContact O-N 3.19Å; K355-E359 WeakPolarHBondContact O-CB 3.32Å; K355-E359 WeakPolarHBondContact O-CG 3.22Å; K355-E359 PolarHBondContact O-N 3.31Å; K355-E392 WeakPolarHBondContact CD-OE1 3.41Å; K355-E392 VanDerWaalsContact CD-OE2 3.23Å; K355-E392 WeakPolarHBondContact CD-OE2 3.37Å; K355-E392 VanDerWaalsContact CE-OE1 3.26Å; K355-E392 WeakPolarHBondContact CE-OE1 3.18Å; K355-E392 WeakPolarHBondContact CE-OE2 3.31Å; K355-E392 WeakPolarHBondContact CG-OE2 3.15Å; K355-E392 IonicContact NZ-OE1 3.72Å; K355-E392 PolarHBondContact NZ-OE1 3.44Å; K355-E392 IonicContact NZ-OE2 3.01Å; K355-E392 PolarHBondContact NZ-OE2 3.07Å; K355-E392 VanDerWaalsContact NZ-OE2 3.09Å
356	T	43.8	Very low	40.2	Very low	90 Å²	90	113.2 Å²	113.2	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-71.8	-39.7	176.8	-34.1	0	0	0	0	110.6	K352 M353 E359 F360	K352-T356 PolarHBondContact O-N 3.36Å; K352-T356 VanDerWaalsContact O-N 3.08Å; K352-T356 PolarHBondContact O-OG1 2.89Å; M353-T356 PolarHBondContact O-N 3.43Å; T356-E359 PolarHBondContact O-N 3.44Å; T356-F360 WeakPolarHBondContact O-CB 3.46Å; T356-F360 PolarHBondContact O-N 3.02Å
357	D	38.9	Very low	38.7	Very low	93 Å²	93	117.6 Å²	117.6	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-69.1	-37.2	175.7	-64.1	-30	0	0	0	111.7	M353 F360 S361	M353-D357 PolarHBondContact O-N 3.05Å; D357-F360 CarbonylContact O-C 3.58Å; D357-F360 PolarHBondContact O-N 3Å; D357-S361 WeakPolarHBondContact O-CB 3.45Å; D357-S361 PolarHBondContact O-N 2.89Å; D357-S361 PolarHBondContact O-OG 2.93Å
358	R	36.4	Very low	37.6	Very low	162 Å²	162	117.9 Å²	117.9	61%	0.611	61%	0.607	S	S	*	*	H	α-helix	trans	-73.8	-23.3	175.8	-82.5	-171.4	-88.6	-154	-8.8	114.5	N354	N354-R358 WeakPolarHBondContact O-CB 3.31Å; N354-R358 WeakPolarHBondContact O-CG 3.3Å; N354-R358 PolarHBondContact O-NE 2.87Å
359	E	38.9	Very low	36.2	Very low	150 Å²	150	125 Å²	125	70%	0.701	64%	0.64	S	S	*	*	H	α-helix	trans	-81.7	-21.1	169.9	-77.9	175.8	175.8	0	0	111.8	K355 T356	K355-E359 WeakPolarHBondContact O-CB 3.32Å; K355-E359 WeakPolarHBondContact O-CG 3.22Å; K355-E359 PolarHBondContact O-N 3.31Å; T356-E359 PolarHBondContact O-N 3.44Å
360	F	32.9	Very low	35.2	Very low	172 Å²	172	127.9 Å²	127.9	75%	0.754	66%	0.655	S	S	*	*	H	α-helix	trans	-94.6	-22.1	176.3	-151.3	-100.3	0	0	0	113.7	T356 D357	T356-F360 WeakPolarHBondContact O-CB 3.46Å; T356-F360 PolarHBondContact O-N 3.02Å; D357-F360 CarbonylContact O-C 3.58Å; D357-F360 PolarHBondContact O-N 3Å
361	S	32.5	Very low	34	Very low	84 Å²	84	131.5 Å²	131.5	59%	0.587	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	17.4	-177.4	73.2	0	0	0	0	114.6	D357	D357-S361 WeakPolarHBondContact O-CB 3.45Å; D357-S361 PolarHBondContact O-N 2.89Å; D357-S361 PolarHBondContact O-OG 2.93Å
362	L	30.6	Very low	32.9	Very low	153 Å²	153	135.9 Å²	135.9	80%	0.801	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	12.4	172.6	-102.7	154.2	0	0	0	113
363	T	28.7	Very low	32	Very low	106 Å²	106	136.1 Å²	136.1	65%	0.65	70%	0.703	S	S	*	*	S	Bend	trans	-132.3	137.3	169	44.6	0	0	0	0	107.9
364	S	29.8	Very low	31.2	Very low	122 Å²	122	139.8 Å²	139.8	85%	0.853	72%	0.719	S	S	*	*			trans	75.8	103.7	-178.3	67.8	0	0	0	0	118
365	Q	24.2	Very low	30.5	Very low	181 Å²	181	141.6 Å²	141.6	85%	0.846	74%	0.735	S	S	*	*			trans	-60.8	136	150.3	-70.6	160.5	-68.2	0	0	109.2
366	D	28.2	Very low	29.9	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	76%	0.763	S	S	*	*			trans	166	142.6	132.6	-79	-22.3	0	0	0	112.1
367	H	23.8	Very low	29.2	Very low	191 Å²	191	148.1 Å²	148.1	88%	0.884	78%	0.776	S	S	*	*			trans	-72.5	135	-173.1	-73.2	-96.1	0	0	0	113.7
368	V	26.9	Very low	28.7	Very low	132 Å²	132	153 Å²	153	80%	0.8	80%	0.795	S	S	*	*			trans	-145.7	125.4	153.5	-176.8	0	0	0	0	110.4	L370	V368-L370 HydrophobicContact CG1-CD1 4.27Å
369	E	21.9	Very low	28.3	Very low	185 Å²	185	154.2 Å²	154.2	86%	0.864	81%	0.805	S	S	*	*			trans	-98.6	129.8	174.3	-174.6	173.2	-152.1	0	0	108.6
370	L	25.6	Very low	27.8	Very low	150 Å²	150	155.1 Å²	155.1	79%	0.785	81%	0.814	S	S	*	*			trans	-149.5	124.2	172.7	-99.1	158.7	0	0	0	109.7	V368	V368-L370 HydrophobicContact CG1-CD1 4.27Å
371	D	23.5	Very low	27.5	Very low	143 Å²	143	157 Å²	157	77%	0.765	82%	0.822	S	S	*	*			trans	-117	129.4	-168.8	-159.8	17.6	0	0	0	109
372	F	26.9	Very low	27.2	Very low	192 Å²	192	158.6 Å²	158.6	84%	0.842	83%	0.828	S	S	*	*			trans	-164.8	156.3	168.9	-85	-59	0	0	0	111.6
373	P	29	Very low	27	Very low	118 Å²	118	158.1 Å²	158.1	77%	0.766	83%	0.825	S	S	*	*				-105.5	170	-123.8	39.3	-35.6	0	0	0	117.4
374	E	24.9	Very low	26.9	Very low	191 Å²	191	162.4 Å²	162.4	89%	0.893	84%	0.837	S	S	*	*			trans	-59.3	140.2	-178.7	-81.5	-174.7	140.5	0	0	115.9
375	P	29.9	Very low	26.7	Very low	126 Å²	126	163.3 Å²	163.3	82%	0.818	83%	0.831	S	S	*	*			trans	-102.6	128.9	155.2	31.5	-20.8	0	0	0	112.2	D377	P375-D377 PolarHBondContact O-N 2.69Å
376	T	29.8	Very low	27	Very low	148 Å²	148	162.3 Å²	162.3	91%	0.908	82%	0.824	S	S	*	*			trans	-71.6	103.3	175.8	-8.2	0	0	0	0	110.6
377	D	31	Very low	26.9	Very low	152 Å²	152	163.1 Å²	163.1	81%	0.813	83%	0.828	S	S	*	*			trans	-155.5	124.1	150.3	-153.3	-14.5	0	0	0	111.9	P375 K379	P375-D377 PolarHBondContact O-N 2.69Å; D377-K379 PolarHBondContact O-N 3.25Å
378	Q	27.3	Very low	27.4	Very low	195 Å²	195	157.9 Å²	157.9	91%	0.911	81%	0.806	S	S	*	*			trans	-93.3	35.2	-155.9	-131.8	177.9	12.9	0	0	113.9
379	K	28.1	Very low	27.3	Very low	189 Å²	189	157 Å²	157	82%	0.822	81%	0.806	S	S	*	*			trans	-134	62.3	-178.9	-77.1	-175.7	178.8	171.2	0	113.9	D377	D377-K379 PolarHBondContact O-N 3.25Å
380	L	29.4	Very low	27.7	Very low	169 Å²	169	153.3 Å²	153.3	89%	0.885	80%	0.796	S	S	*	*			trans	-158.9	69.9	158.3	-136.1	81.8	0	0	0	111.3
381	K	24.9	Very low	28	Very low	212 Å²	212	150.2 Å²	150.2	92%	0.922	79%	0.787	S	S	*	*			trans	-111.5	54.6	179.3	-122	-175.8	-171.3	178.8	0	112.3
382	V	26.8	Very low	28.5	Very low	116 Å²	116	147.5 Å²	147.5	70%	0.703	77%	0.77	S	S	*	*			trans	-153	103.5	160.9	-171.7	0	0	0	0	107.4
383	I	27.2	Very low	28.7	Very low	144 Å²	144	146.8 Å²	146.8	74%	0.738	77%	0.766	S	S	*	*			trans	171.8	88.2	148	-80.5	145.6	0	0	0	106.5
384	Q	25.7	Very low	28.9	Very low	195 Å²	195	147.4 Å²	147.4	91%	0.911	76%	0.759	S	S	*	*			trans	-149.5	74.8	157.3	-86	-167.8	-10.9	0	0	107.9
385	I	26.9	Very low	29.4	Very low	141 Å²	141	145.4 Å²	145.4	72%	0.723	75%	0.753	S	S	*	*			trans	-141.2	127.8	163	-51.2	-179.2	0	0	0	108.5
386	F	30.2	Very low	29.5	Very low	161 Å²	161	147.1 Å²	147.1	71%	0.706	75%	0.751	S	S	*	*			trans	93.1	70.7	179.6	-59.5	-72.8	0	0	0	117.2	I388	F386-I388 HydrophobicContact CB-CD1 4.41Å; F386-I388 HydrophobicContact CB-CG1 4.28Å; F386-I388 HydrophobicContact CD1-CD1 4Å; F386-I388 HydrophobicContact CD1-CG1 4.17Å; F386-I388 PolarHBondContact O-N 2.83Å
387	N	26.2	Very low	29.7	Very low	175 Å²	175	148.1 Å²	148.1	94%	0.936	74%	0.743	S	S	*	*			trans	-63.2	104.1	138.8	-95.1	-10.1	0	0	0	108.2
388	I	32.5	Very low	29.7	Very low	81 Å²	81	144.7 Å²	144.7	42%	0.415	74%	0.735	S	S	.	*			trans	-117.1	97.6	163	-62.1	176.9	0	0	0	106.5	F386 T390	F386-I388 HydrophobicContact CB-CD1 4.41Å; F386-I388 HydrophobicContact CB-CG1 4.28Å; F386-I388 HydrophobicContact CD1-CD1 4Å; F386-I388 HydrophobicContact CD1-CG1 4.17Å; F386-I388 PolarHBondContact O-N 2.83Å; I388-T390 PolarHBondContact O-N 3.49Å
389	S	25.3	Very low	29.8	Very low	115 Å²	115	142.3 Å²	142.3	80%	0.804	73%	0.729	S	S	*	*			trans	-68.6	110.8	161.9	55.9	0	0	0	0	108.2
390	T	31.6	Very low	29.9	Very low	107 Å²	107	144.4 Å²	144.4	66%	0.656	73%	0.732	S	S	*	*			trans	-152.3	121.7	158.9	27.7	0	0	0	0	110.1	I388	I388-T390 PolarHBondContact O-N 3.49Å
391	S	32.1	Very low	29.8	Very low	84 Å²	84	145.5 Å²	145.5	59%	0.587	73%	0.729	S	S	*	*			trans	-53.6	137	179	59.1	0	0	0	0	112.8	K393 E394	S391-K393 PolarHBondContact O-N 3.08Å; S391-E394 PolarHBondContact O-N 3.36Å
392	E	32.4	Very low	30.1	Very low	87 Å²	87	141.3 Å²	141.3	41%	0.407	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	1.7	-177.7	-68.9	-179.7	105.7	0	0	116.1	K355	K355-E392 WeakPolarHBondContact CD-OE1 3.41Å; K355-E392 VanDerWaalsContact CD-OE2 3.23Å; K355-E392 WeakPolarHBondContact CD-OE2 3.37Å; K355-E392 VanDerWaalsContact CE-OE1 3.26Å; K355-E392 WeakPolarHBondContact CE-OE1 3.18Å; K355-E392 WeakPolarHBondContact CE-OE2 3.31Å; K355-E392 WeakPolarHBondContact CG-OE2 3.15Å; K355-E392 IonicContact NZ-OE1 3.72Å; K355-E392 PolarHBondContact NZ-OE1 3.44Å; K355-E392 IonicContact NZ-OE2 3.01Å; K355-E392 PolarHBondContact NZ-OE2 3.07Å; K355-E392 VanDerWaalsContact NZ-OE2 3.09Å
393	K	31.8	Very low	30.2	Very low	177 Å²	177	142.2 Å²	142.2	77%	0.77	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-19	177.9	-69.9	-174	176.6	179.6	0	114.1	S391	S391-K393 PolarHBondContact O-N 3.08Å
394	E	33.6	Very low	30.2	Very low	130 Å²	130	140.7 Å²	140.7	61%	0.607	73%	0.729	S	S	*	*	S	Bend	trans	-91.7	-17.6	-176.4	-71	-63.1	118.5	0	0	114.4	S391 Q396	S391-E394 PolarHBondContact O-N 3.36Å; E394-Q396 PolarHBondContact O-N 3.3Å
395	L	34.5	Very low	30.3	Very low	149 Å²	149	138.9 Å²	138.9	78%	0.78	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-8	-179.1	-89.7	154.6	0	0	0	114.5
396	Q	32.9	Very low	30.4	Very low	163 Å²	163	139 Å²	139	76%	0.762	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-12.5	179.1	-70.9	-172	-12.7	0	0	114.3	E394	E394-Q396 PolarHBondContact O-N 3.3Å
397	K	34.2	Very low	30.2	Very low	169 Å²	169	137.5 Å²	137.5	74%	0.735	74%	0.737	S	S	*	*	S	Bend	trans	-87.5	-8.2	178.3	-77.6	-178.3	178	174.8	0	114.8	N399	K397-N399 VanDerWaalsContact C-N 3.28Å; K397-N399 PolarHBondContact O-N 3.08Å
398	A	31.1	Very low	30.1	Very low	79 Å²	79	137 Å²	137	65%	0.653	73%	0.733	S	S	*	*			trans	-84.1	62.7	178.2	0	0	0	0	0	112.7	W400	A398-W400 PolarHBondContact O-N 3.26Å
399	N	27.6	Very low	29.8	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	76%	0.756	S	S	*	*			trans	-88.2	87.6	162.3	-98.7	-20.1	0	0	0	108.7	K397	K397-N399 VanDerWaalsContact C-N 3.28Å; K397-N399 PolarHBondContact O-N 3.08Å
400	W	32	Very low	29.7	Very low	233 Å²	233	142.1 Å²	142.1	88%	0.883	75%	0.751	S	S	*	*			trans	-126	110.3	169.8	-72.5	91.4	0	0	0	110.9	A398	A398-W400 PolarHBondContact O-N 3.26Å
401	K	26.5	Very low	29.6	Very low	192 Å²	192	145.5 Å²	145.5	84%	0.835	76%	0.759	S	S	*	*			trans	-60.8	135.7	161.4	-71.4	175.5	177.2	174.5	0	107.9	T403	K401-T403 PolarHBondContact O-N 2.93Å
402	P	32.1	Very low	29.2	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	77%	0.767	S	S	*	*			trans	-83.2	104.9	174.9	30.9	-27.8	0	0	0	109.4
403	T	27.5	Very low	29	Very low	134 Å²	134	152.8 Å²	152.8	82%	0.822	79%	0.789	S	S	*	*			trans	-88.8	123.5	157.8	32	0	0	0	0	108.5	K401	K401-T403 PolarHBondContact O-N 2.93Å
404	P	27.7	Very low	28.6	Very low	112 Å²	112	152.1 Å²	152.1	73%	0.727	79%	0.789	S	S	*	*			trans	-90	118.5	167.5	32.3	-23.3	0	0	0	107.9
405	N	27.5	Very low	28.2	Very low	157 Å²	157	152.9 Å²	152.9	84%	0.84	79%	0.792	S	S	*	*			trans	-175.1	104.5	149.4	-90.5	-14.7	0	0	0	109.2
406	V	28.3	Very low	27.8	Very low	143 Å²	143	154.4 Å²	154.4	87%	0.867	80%	0.795	S	S	*	*			trans	-116.8	98.9	158.3	176.1	0	0	0	0	105.6
407	T	27.5	Very low	27.4	Very low	131 Å²	131	154 Å²	154	80%	0.804	79%	0.793	S	S	*	*			trans	-78.3	120.8	159.1	28.1	0	0	0	0	107.8	K409	T407-K409 PolarHBondContact O-N 3.01Å
408	L	23.5	Very low	27	Very low	164 Å²	164	151.5 Å²	151.5	86%	0.859	79%	0.788	S	S	*	*			trans	-55.7	126.1	164.5	-100.3	85.4	0	0	0	109.3
409	K	27.1	Very low	26.8	Very low	204 Å²	204	158.3 Å²	158.3	89%	0.887	80%	0.798	S	S	*	*			trans	-135.5	119.4	143.6	-97.7	-173.1	175.2	-174.1	0	108.6	T407	T407-K409 PolarHBondContact O-N 3.01Å
410	S	23.3	Very low	26.9	Very low	100 Å²	100	159.1 Å²	159.1	70%	0.699	80%	0.802	S	S	*	*			trans	-51.2	134.8	158	45.5	0	0	0	0	110.4
411	E	27.6	Very low	26.6	Very low	177 Å²	177	156.9 Å²	156.9	83%	0.827	80%	0.801	S	S	*	*			trans	175.4	118.7	133.3	-94.8	157.6	-163.3	0	0	110.7
412	T	24.1	Very low	26.6	Very low	125 Å²	125	159.3 Å²	159.3	77%	0.767	81%	0.805	S	S	*	*			trans	-4.7	127.4	145.4	35.3	0	0	0	0	118
413	K	27.6	Very low	26.7	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.865	81%	0.807	S	S	*	*				173	132.1	111.3	-93.3	172.4	-177.6	-179	0	113.2
414	Q	23.8	Very low	26.7	Very low	163 Å²	163	159.8 Å²	159.8	76%	0.762	81%	0.805	S	S	*	*			trans	-5.3	151	150.4	-115.7	144.7	-49.4	0	0	122.3
415	H	25.3	Very low	26.6	Very low	146 Å²	146	162.5 Å²	162.5	68%	0.676	81%	0.808	S	S	*	*			trans	88.4	115	153.1	-73.9	-63.5	0	0	0	120.5
416	Q	26.6	Very low	26.7	Very low	182 Å²	182	163.8 Å²	163.8	85%	0.85	81%	0.809	S	S	*	*				158.8	105	113.3	-105.3	151.2	-46.1	0	0	109.1
417	H	25.2	Very low	26.9	Very low	153 Å²	153	166.1 Å²	166.1	71%	0.708	81%	0.81	S	S	*	*				64.3	122.6	86.9	-112	-90	0	0	0	115.7
418	D	25.5	Very low	26.9	Very low	117 Å²	117	169 Å²	169	63%	0.626	81%	0.811	S	S	*	*			trans	68	123	156.3	-56.8	-30.3	0	0	0	120.7
419	Y	26.9	Very low	27.1	Very low	222 Å²	222	168 Å²	168	87%	0.871	81%	0.807	S	S	*	*				-177.6	135.1	108.6	-98.1	-78.3	0	0	0	110.9
420	L	29.2	Very low	27.3	Very low	163 Å²	163	168 Å²	168	85%	0.853	81%	0.807	S	S	*	*			trans	92.9	78.8	156.7	-67.9	149	0	0	0	120
421	H	26.6	Very low	27.5	Very low	187 Å²	187	171.8 Å²	171.8	87%	0.866	82%	0.819	S	S	*	*			trans	-66.2	146.8	138	-94.4	-96.7	0	0	0	111
422	R	26.7	Very low	27.7	Very low	243 Å²	243	166.9 Å²	166.9	92%	0.917	82%	0.815	S	S	*	*			trans	143.5	101.9	135.1	-172.8	177.9	-105.9	-165.8	-4.8	112.8
423	S	33.1	Very low	27.8	Very low	123 Å²	123	168 Å²	168	86%	0.86	82%	0.816	S	S	*	*				179.6	106.7	128.4	31.1	0	0	0	0	109.4
424	N	26.6	Very low	28.1	Very low	144 Å²	144	168.7 Å²	168.7	77%	0.77	82%	0.82	S	S	*	*			trans	-85.7	160.4	172.5	-107.2	-1.5	0	0	0	110
425	E	26.7	Very low	28.3	Very low	170 Å²	170	168.7 Å²	168.7	79%	0.794	82%	0.82	S	S	*	*			trans	67.5	113.6	148.8	-71.1	170.7	162.7	0	0	118.7
426	E	29	Very low	28.3	Very low	184 Å²	184	168.7 Å²	168.7	86%	0.86	82%	0.824	S	S	*	*				179.1	154.7	108.6	-98.7	178.8	166.8	0	0	112.6
427	Q	32.2	Very low	28.5	Very low	192 Å²	192	167.7 Å²	167.7	90%	0.897	82%	0.823	S	S	*	*			trans	92.6	84.6	164.7	-69.7	175.3	-8.1	0	0	120.2
428	K	28	Very low	28.7	Very low	190 Å²	190	168.4 Å²	168.4	83%	0.826	83%	0.832	S	S	*	*			trans	-83.5	150.8	149.4	-111.5	178.2	178.1	176	0	110.8
429	N	27.4	Very low	28.9	Very low	144 Å²	144	168.5 Å²	168.5	77%	0.77	84%	0.841	S	S	*	*			trans	81.3	117.2	149.6	-63	-7.5	0	0	0	121.5
430	K	32.4	Very low	29	Very low	205 Å²	205	162.3 Å²	162.3	89%	0.891	83%	0.831	S	S	*	*			trans	-177.3	100.6	135.7	-98.9	174.1	-176.3	-174.9	0	107.1
431	L	27.8	Very low	29	Very low	179 Å²	179	164 Å²	164	94%	0.937	83%	0.831	S	S	*	*				59.5	123.8	83.5	-161.3	74.6	0	0	0	113.9
432	G	30.4	Very low	29.1	Very low	73 Å²	73	163.1 Å²	163.1	75%	0.753	83%	0.832	S	S	*	*			trans	156.2	97.9	164.7	0	0	0	0	0	114.6
433	D	26.5	Very low	29.2	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	82%	0.823	S	S	*	*			trans	-52.8	150.7	175.4	-69.8	-59.6	0	0	0	115.8
434	K	33.7	Very low	28.9	Very low	215 Å²	215	156.3 Å²	156.3	94%	0.935	82%	0.819	S	S	*	*			trans	-159	119.5	135.5	-108.6	169.2	-172.5	-176.5	0	110.9
435	Q	27.7	Very low	29	Very low	163 Å²	163	156.8 Å²	156.8	76%	0.762	82%	0.821	S	S	*	*			trans	-76.8	170.8	-177.5	-59.8	174.6	-33.4	0	0	113.4
436	L	26.8	Very low	29.2	Very low	145 Å²	145	153.6 Å²	153.6	76%	0.759	81%	0.813	S	S	*	*			trans	78.3	110.2	150.7	-85	125.1	0	0	0	117.6
437	I	31.2	Very low	29.5	Very low	162 Å²	162	149.7 Å²	149.7	83%	0.831	81%	0.806	S	S	*	*				-166.4	117	103.1	-84.5	148.3	0	0	0	108.2
438	N	27.4	Very low	29.5	Very low	168 Å²	168	148.6 Å²	148.6	90%	0.898	80%	0.799	S	S	*	*			trans	-73.3	126.9	165.2	-84.4	-26.4	0	0	0	108.9
439	S	30.8	Very low	30	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	78%	0.782	S	S	*	*			trans	-148.7	138.5	142.4	-161.8	0	0	0	0	110.5
440	S	29.7	Very low	30.6	Very low	93 Å²	93	140.3 Å²	140.3	65%	0.65	77%	0.768	S	S	*	*			trans	-77.3	159.3	-158.3	53.7	0	0	0	0	115.2
441	K	29.2	Very low	31.2	Very low	198 Å²	198	135.7 Å²	135.7	86%	0.861	75%	0.753	S	S	*	*			trans	86.2	87.6	159.4	-62.9	174.9	175.9	177	0	117.5
442	L	27.3	Very low	31.9	Very low	169 Å²	169	132.3 Å²	132.3	89%	0.885	73%	0.732	S	S	*	*			trans	-155.2	133.9	133.1	-149.8	66.8	0	0	0	110.8
443	P	28.6	Very low	32.7	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	71%	0.714	S	S	*	*			trans	-69.8	150	-172.7	-13.6	28.8	0	0	0	113.6	L445	P443-L445 PolarHBondContact O-N 2.88Å
444	S	27.2	Very low	33.8	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	70%	0.699	S	S	*	*			trans	-31.6	105.5	177	53.6	0	0	0	0	117.5
445	L	28.8	Very low	34.8	Very low	154 Å²	154	127 Å²	127	81%	0.806	68%	0.684	S	S	*	*			trans	-131.4	21.8	162.1	-135.6	96.7	0	0	0	112.8	P443	P443-L445 PolarHBondContact O-N 2.88Å
446	T	31.4	Very low	35.9	Very low	102 Å²	102	123.4 Å²	123.4	63%	0.626	67%	0.669	S	S	*	*			trans	-113	-10.5	-161.1	50.7	0	0	0	0	116.1	I450	T446-I450 WeakPolarHBondContact O-CD1 3.08Å; T446-I450 WeakPolarHBondContact O-CG1 3.48Å
447	S	35.2	Very low	37.3	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	66%	0.664	S	S	*	*	H	α-helix	trans	-81.9	-39.2	177.7	63.5	0	0	0	0	113.2	S449	S447-S449 PolarHBondContact O-N 3.38Å
448	F	31.5	Very low	38.3	Very low	170 Å²	170	126 Å²	126	75%	0.746	66%	0.659	S	S	*	*	H	α-helix	trans	-74.1	-27.3	-176.3	-157.3	-101.4	0	0	0	113.6
449	S	39.1	Very low	39.6	Very low	69 Å²	69	121.5 Å²	121.5	48%	0.483	63%	0.634	S	S	.	*	H	α-helix	trans	-80.5	-31.4	-177.7	-156.2	0	0	0	0	112.8	S447 I453	S447-S449 PolarHBondContact O-N 3.38Å; S449-I453 WeakPolarHBondContact O-CD1 3.4Å; S449-I453 WeakPolarHBondContact O-CG1 3.41Å; S449-I453 PolarHBondContact O-N 3.09Å; S449-I453 VanDerWaalsContact O-N 3.11Å
450	I	40.3	Very low	40.5	Very low	91 Å²	91	122.6 Å²	122.6	47%	0.467	62%	0.624	S	S	.	*	H	α-helix	trans	-72.4	-39.9	-179.2	-66	174.9	0	0	0	111.6	T446 I453 K454	T446-I450 WeakPolarHBondContact O-CD1 3.08Å; T446-I450 WeakPolarHBondContact O-CG1 3.48Å; I450-I453 PolarHBondContact O-N 3.27Å; I450-K454 HydrophobicContact CG2-CD 4.31Å; I450-K454 WeakPolarHBondContact O-CG 3.34Å; I450-K454 PolarHBondContact O-N 3.46Å
451	D	44.1	Very low	41.7	Very low	108 Å²	108	122.5 Å²	122.5	58%	0.578	62%	0.623	S	S	*	*	H	α-helix	trans	-68.6	-36.5	177.7	-87.8	-12.7	0	0	0	112.4	K454 K455	D451-K454 PolarHBondContact O-N 2.8Å; D451-K455 VanDerWaalsContact O-CB 3.27Å; D451-K455 WeakPolarHBondContact O-CB 3.47Å; D451-K455 PolarHBondContact O-N 3.21Å
452	H	43.3	Very low	43.1	Very low	107 Å²	107	117.3 Å²	117.3	50%	0.495	61%	0.605	S	S	.	*	H	α-helix	trans	-64.6	-40.5	173.6	-126.7	-83.5	0	0	0	111.8	K455 L456	H452-K455 PolarHBondContact O-N 3.29Å; H452-L456 WeakPolarHBondContact O-CB 3.31Å; H452-L456 WeakPolarHBondContact O-CD1 3.28Å; H452-L456 WeakPolarHBondContact O-CG 3.25Å; H452-L456 PolarHBondContact O-N 3.25Å
453	I	46.2	Very low	44.5	Very low	76 Å²	76	113.9 Å²	113.9	39%	0.39	59%	0.592	S	S	.	*	H	α-helix	trans	-67.5	-41.5	175.8	-68.6	166.3	0	0	0	111.3	S449 I450 L456 R457	S449-I453 WeakPolarHBondContact O-CD1 3.4Å; S449-I453 WeakPolarHBondContact O-CG1 3.41Å; S449-I453 PolarHBondContact O-N 3.09Å; S449-I453 VanDerWaalsContact O-N 3.11Å; I450-I453 PolarHBondContact O-N 3.27Å; I453-L456 PolarHBondContact O-N 2.93Å; I453-R457 WeakPolarHBondContact O-CG 3.46Å; I453-R457 PolarHBondContact O-N 3.23Å
454	K	50.6	Low	46	Very low	109 Å²	109	114.9 Å²	114.9	47%	0.474	59%	0.592	S	S	.	*	H	α-helix	trans	-62.6	-42.2	174.1	-79	178.3	-179.1	172.9	0	111.4	I450 D451 R457 R458	I450-K454 HydrophobicContact CG2-CD 4.31Å; I450-K454 WeakPolarHBondContact O-CG 3.34Å; I450-K454 PolarHBondContact O-N 3.46Å; D451-K454 PolarHBondContact O-N 2.8Å; K454-R457 PolarHBondContact O-N 2.86Å; K454-R458 WeakPolarHBondContact O-CG 3.46Å; K454-R458 PolarHBondContact O-N 3.27Å
455	K	54.3	Low	47.2	Very low	140 Å²	140	113.2 Å²	113.2	61%	0.609	57%	0.57	S	S	*	*	H	α-helix	trans	-65	-42	176.9	-164.8	172.8	-175.9	177.7	0	111.7	D451 H452 R458 L459	D451-K455 VanDerWaalsContact O-CB 3.27Å; D451-K455 WeakPolarHBondContact O-CB 3.47Å; D451-K455 PolarHBondContact O-N 3.21Å; H452-K455 PolarHBondContact O-N 3.29Å; K455-R458 PolarHBondContact O-N 3.01Å; K455-L459 HydrophobicContact CG-CD1 4.5Å; K455-L459 WeakPolarHBondContact O-CG 3.2Å; K455-L459 PolarHBondContact O-N 3.12Å
456	L	50.6	Low	48.5	Very low	87 Å²	87	112.4 Å²	112.4	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-36.9	173.5	-82.2	159.8	0	0	0	112.9	H452 I453 L459 K460	H452-L456 WeakPolarHBondContact O-CB 3.31Å; H452-L456 WeakPolarHBondContact O-CD1 3.28Å; H452-L456 WeakPolarHBondContact O-CG 3.25Å; H452-L456 PolarHBondContact O-N 3.25Å; I453-L456 PolarHBondContact O-N 2.93Å; L456-L459 PolarHBondContact O-N 3.4Å; L456-K460 WeakPolarHBondContact O-CB 3.33Å; L456-K460 WeakPolarHBondContact O-CG 3.18Å; L456-K460 PolarHBondContact O-N 3.17Å
457	R	55.7	Low	49.7	Very low	173 Å²	173	110.9 Å²	110.9	65%	0.653	55%	0.551	S	S	*	*	H	α-helix	trans	-65.4	-43.1	172.4	-76.2	-175.7	-150.1	162.4	6.3	112	I453 K454 L459 K460 S461	I453-R457 WeakPolarHBondContact O-CG 3.46Å; I453-R457 PolarHBondContact O-N 3.23Å; K454-R457 PolarHBondContact O-N 2.86Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-L459 PolarHBondContact O-N 3.23Å; R457-K460 PolarHBondContact O-N 3.43Å; R457-S461 PolarHBondContact O-N 3.05Å; R457-S461 VanDerWaalsContact O-N 3.14Å; R457-S461 PolarHBondContact O-OG 3.36Å
458	R	54.2	Low	50.6	Low	190 Å²	190	112.3 Å²	112.3	72%	0.717	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-36.1	174.9	-70.8	-175.6	-168.4	-172.8	4.4	112.4	K454 K455 S461	K454-R458 WeakPolarHBondContact O-CG 3.46Å; K454-R458 PolarHBondContact O-N 3.27Å; K455-R458 PolarHBondContact O-N 3.01Å; R458-S461 WeakPolarHBondContact CA-OG 3.28Å; R458-S461 PolarHBondContact O-N 3.23Å; R458-S461 PolarHBondContact O-OG 3.4Å
459	L	53.8	Low	51.2	Low	73 Å²	73	110.1 Å²	110.1	38%	0.382	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-41.7	174	-73.6	165.7	0	0	0	111.5	K455 L456 R457 S461 L462 F465	K455-L459 HydrophobicContact CG-CD1 4.5Å; K455-L459 WeakPolarHBondContact O-CG 3.2Å; K455-L459 PolarHBondContact O-N 3.12Å; L456-L459 PolarHBondContact O-N 3.4Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-L459 PolarHBondContact O-N 3.23Å; L459-S461 VanDerWaalsContact C-N 3.27Å; L459-S461 PolarHBondContact O-N 3.02Å; L459-L462 HydrophobicContact CD2-CD1 4.11Å; L459-L462 PolarHBondContact O-N 3.14Å; L459-F465 WeakPolarHBondContact O-CB 3.32Å; L459-F465 WeakPolarHBondContact O-CG 3.12Å
460	K	50.7	Low	51.9	Low	141 Å²	141	110.7 Å²	110.7	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-26.9	175.9	-81.6	-176.8	176.4	-174.5	0	114.3	L456 R457 F465	L456-K460 WeakPolarHBondContact O-CB 3.33Å; L456-K460 WeakPolarHBondContact O-CG 3.18Å; L456-K460 PolarHBondContact O-N 3.17Å; R457-K460 PolarHBondContact O-N 3.43Å; K460-F465 HydrophobicContact CB-CE1 4.47Å; K460-F465 HydrophobicContact CG-CD1 4.23Å; K460-F465 HydrophobicContact CG-CE1 3.72Å
461	S	54.6	Low	52.9	Low	91 Å²	91	113.3 Å²	113.3	64%	0.636	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.5	177.6	53.4	0	0	0	0	114.5	R457 R458 L459	R457-S461 PolarHBondContact O-N 3.05Å; R457-S461 VanDerWaalsContact O-N 3.14Å; R457-S461 PolarHBondContact O-OG 3.36Å; R458-S461 WeakPolarHBondContact CA-OG 3.28Å; R458-S461 PolarHBondContact O-N 3.23Å; R458-S461 PolarHBondContact O-OG 3.4Å; L459-S461 VanDerWaalsContact C-N 3.27Å; L459-S461 PolarHBondContact O-N 3.02Å
462	L	58	Low	53.2	Low	89 Å²	89	111.5 Å²	111.5	47%	0.466	53%	0.533	S	S	.	.	S	Bend	trans	-71.7	130.3	178.3	-74.5	161.7	0	0	0	110.6	L459 N464 F465 K466	L459-L462 HydrophobicContact CD2-CD1 4.11Å; L459-L462 PolarHBondContact O-N 3.14Å; L462-N464 PolarHBondContact O-N 3.03Å; L462-F465 HydrophobicContact CB-CB 4.14Å; L462-F465 PolarHBondContact O-N 3.03Å; L462-K466 PolarHBondContact O-N 3.29Å
463	P	56.9	Low	53.7	Low	97 Å²	97	108.9 Å²	108.9	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-54.6	-38.9	179.2	-24.1	31	0	0	0	113.1	K466 T467	P463-K466 PolarHBondContact O-N 3.08Å; P463-T467 WeakPolarHBondContact O-CB 3.44Å; P463-T467 PolarHBondContact O-N 3.26Å; P463-T467 PolarHBondContact O-OG1 3.42Å
464	N	60.7	Low	54.4	Low	132 Å²	132	110 Å²	110	71%	0.706	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-41.5	176.9	-74.7	-12	0	0	0	112.2	L462 T467 E468	L462-N464 PolarHBondContact O-N 3.03Å; N464-T467 PolarHBondContact O-N 3.31Å; N464-E468 VanDerWaalsContact O-CB 3.29Å; N464-E468 WeakPolarHBondContact O-CB 3.45Å; N464-E468 PolarHBondContact O-N 3.46Å
465	F	52.4	Low	54.6	Low	76 Å²	76	108.3 Å²	108.3	33%	0.333	53%	0.526	S	S	.	.	H	α-helix	trans	-67.5	-41.7	178.2	-173.7	-87.9	0	0	0	111.6	L459 K460 L462 T467 E468 Y469	L459-F465 WeakPolarHBondContact O-CB 3.32Å; L459-F465 WeakPolarHBondContact O-CG 3.12Å; K460-F465 HydrophobicContact CB-CE1 4.47Å; K460-F465 HydrophobicContact CG-CD1 4.23Å; K460-F465 HydrophobicContact CG-CE1 3.72Å; L462-F465 HydrophobicContact CB-CB 4.14Å; L462-F465 PolarHBondContact O-N 3.03Å; F465-T467 VanDerWaalsContact C-N 3.31Å; F465-T467 PolarHBondContact O-N 3.47Å; F465-E468 PolarHBondContact O-N 3.48Å; F465-Y469 WeakPolarHBondContact O-CB 3.04Å; F465-Y469 PolarHBondContact O-N 3.49Å
466	K	54.8	Low	54.4	Low	137 Å²	137	107.8 Å²	107.8	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-40.5	175.9	-168.1	174.8	-176.7	179.1	0	111.4	L462 P463 N470	L462-K466 PolarHBondContact O-N 3.29Å; P463-K466 PolarHBondContact O-N 3.08Å; K466-N470 VanDerWaalsContact O-CB 3.27Å; K466-N470 WeakPolarHBondContact O-CB 3.18Å; K466-N470 PolarHBondContact O-N 3.01Å; K466-N470 PolarHBondContact O-ND2 3.48Å; K466-N470 PolarHBondContact O-OD1 3.17Å
467	T	57.4	Low	54.8	Low	70 Å²	70	107.2 Å²	107.2	43%	0.429	52%	0.52	S	S	.	.	H	α-helix	trans	-67	-42	177.3	-50.1	0	0	0	0	111.8	P463 N464 F465 K471	P463-T467 WeakPolarHBondContact O-CB 3.44Å; P463-T467 PolarHBondContact O-N 3.26Å; P463-T467 PolarHBondContact O-OG1 3.42Å; N464-T467 PolarHBondContact O-N 3.31Å; F465-T467 VanDerWaalsContact C-N 3.31Å; F465-T467 PolarHBondContact O-N 3.47Å; T467-K471 WeakPolarHBondContact O-CB 3.49Å; T467-K471 VanDerWaalsContact O-CG 3.27Å; T467-K471 WeakPolarHBondContact O-CG 3.41Å; T467-K471 PolarHBondContact O-N 3Å
468	E	53.3	Low	55.2	Low	132 Å²	132	102.4 Å²	102.4	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-74.6	-36.1	179.4	-168.7	145.4	-158	0	0	113	N464 F465 K471 T472	N464-E468 VanDerWaalsContact O-CB 3.29Å; N464-E468 WeakPolarHBondContact O-CB 3.45Å; N464-E468 PolarHBondContact O-N 3.46Å; F465-E468 PolarHBondContact O-N 3.48Å; E468-K471 PolarHBondContact O-N 3.33Å; E468-T472 WeakPolarHBondContact O-CB 3.4Å; E468-T472 WeakPolarHBondContact O-CG2 3.27Å; E468-T472 PolarHBondContact O-N 3.18Å; E468-T472 PolarHBondContact O-OG1 3.09Å
469	Y	44.1	Very low	55.8	Low	124 Å²	124	98.1 Å²	98.1	49%	0.486	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-48.1	168.7	-177.4	-96.1	0	0	0	111.1	F465 K471 T472 E473	F465-Y469 WeakPolarHBondContact O-CB 3.04Å; F465-Y469 PolarHBondContact O-N 3.49Å; Y469-K471 VanDerWaalsContact C-N 3.34Å; Y469-K471 PolarHBondContact O-N 3.39Å; Y469-T472 VanDerWaalsContact CA-OG1 3.32Å; Y469-T472 WeakPolarHBondContact CA-OG1 3.38Å; Y469-T472 PolarHBondContact O-N 2.86Å; Y469-T472 PolarHBondContact O-OG1 3.27Å; Y469-E473 WeakPolarHBondContact O-CB 3.46Å; Y469-E473 PolarHBondContact O-N 3.17Å
470	N	55	Low	56.5	Low	81 Å²	81	100.1 Å²	100.1	43%	0.433	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176.3	-72.6	-7.3	0	0	0	112	K466 Q474	K466-N470 VanDerWaalsContact O-CB 3.27Å; K466-N470 WeakPolarHBondContact O-CB 3.18Å; K466-N470 PolarHBondContact O-N 3.01Å; K466-N470 PolarHBondContact O-ND2 3.48Å; K466-N470 PolarHBondContact O-OD1 3.17Å; N470-Q474 VanDerWaalsContact O-CB 3.26Å; N470-Q474 WeakPolarHBondContact O-CB 3.46Å; N470-Q474 PolarHBondContact O-N 3.35Å
471	K	59.8	Low	57.4	Low	146 Å²	146	99.1 Å²	99.1	64%	0.635	50%	0.501	S	S	*	.	H	α-helix	trans	-63.4	-43.7	174.6	-78.3	173.4	-179.8	177.2	0	112.1	T467 E468 Y469 S475	T467-K471 WeakPolarHBondContact O-CB 3.49Å; T467-K471 VanDerWaalsContact O-CG 3.27Å; T467-K471 WeakPolarHBondContact O-CG 3.41Å; T467-K471 PolarHBondContact O-N 3Å; E468-K471 PolarHBondContact O-N 3.33Å; Y469-K471 VanDerWaalsContact C-N 3.34Å; Y469-K471 PolarHBondContact O-N 3.39Å; K471-S475 VanDerWaalsContact O-CB 3.29Å; K471-S475 WeakPolarHBondContact O-CB 3.46Å; K471-S475 PolarHBondContact O-N 2.99Å
472	T	50.6	Low	58.1	Low	71 Å²	71	102.2 Å²	102.2	44%	0.436	50%	0.5	S	S	.	.	H	α-helix	trans	-70.2	-41.1	178.9	43.7	0	0	0	0	111.9	E468 Y469 S475 Q476	E468-T472 WeakPolarHBondContact O-CB 3.4Å; E468-T472 WeakPolarHBondContact O-CG2 3.27Å; E468-T472 PolarHBondContact O-N 3.18Å; E468-T472 PolarHBondContact O-OG1 3.09Å; Y469-T472 VanDerWaalsContact CA-OG1 3.32Å; Y469-T472 WeakPolarHBondContact CA-OG1 3.38Å; Y469-T472 PolarHBondContact O-N 2.86Å; Y469-T472 PolarHBondContact O-OG1 3.27Å; T472-S475 WeakPolarHBondContact O-CB 3.4Å; T472-S475 PolarHBondContact O-N 3.04Å; T472-Q476 WeakPolarHBondContact O-CG 3.2Å; T472-Q476 PolarHBondContact O-N 2.91Å
473	E	54.4	Low	58.6	Low	51 Å²	51	105.9 Å²	105.9	24%	0.238	51%	0.507	C	S	.	.	H	α-helix	trans	-61.7	-45.7	173.5	-167.4	-169.4	157.2	0	0	111.3	Y469 S475 Q476 K477	Y469-E473 WeakPolarHBondContact O-CB 3.46Å; Y469-E473 PolarHBondContact O-N 3.17Å; E473-S475 VanDerWaalsContact C-N 3.34Å; E473-S475 PolarHBondContact O-N 3.06Å; E473-Q476 PolarHBondContact O-N 2.95Å; E473-K477 WeakPolarHBondContact O-CG 3.38Å; E473-K477 PolarHBondContact O-N 3.32Å; E473-K477 WeakPolarHBondContact OE1-CE 3.45Å; E473-K477 IonicContact OE1-NZ 3.09Å; E473-K477 PolarHBondContact OE1-NZ 2.99Å
474	Q	59.8	Low	59.3	Low	100 Å²	100	103.2 Å²	103.2	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-39.2	176.1	-170.8	62.3	28.5	0	0	111.9	N470 K477 N478	N470-Q474 VanDerWaalsContact O-CB 3.26Å; N470-Q474 WeakPolarHBondContact O-CB 3.46Å; N470-Q474 PolarHBondContact O-N 3.35Å; Q474-K477 PolarHBondContact O-N 3.28Å; Q474-N478 PolarHBondContact NE2-OD1 3.48Å; Q474-N478 WeakPolarHBondContact O-CB 3.36Å; Q474-N478 PolarHBondContact O-N 3.32Å; Q474-N478 PolarHBondContact O-ND2 3.1Å
475	S	55	Low	59.8	Low	74 Å²	74	98.2 Å²	98.2	52%	0.517	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174.6	-172.9	0	0	0	0	112	K471 T472 E473 N478 L479	K471-S475 VanDerWaalsContact O-CB 3.29Å; K471-S475 WeakPolarHBondContact O-CB 3.46Å; K471-S475 PolarHBondContact O-N 2.99Å; T472-S475 WeakPolarHBondContact O-CB 3.4Å; T472-S475 PolarHBondContact O-N 3.04Å; E473-S475 VanDerWaalsContact C-N 3.34Å; E473-S475 PolarHBondContact O-N 3.06Å; S475-N478 PolarHBondContact O-N 3.35Å; S475-L479 WeakPolarHBondContact O-CB 3.43Å; S475-L479 PolarHBondContact O-N 2.94Å
476	Q	51.8	Low	60.9	Low	128 Å²	128	98.3 Å²	98.3	60%	0.598	46%	0.461	S	S	*	.	H	α-helix	trans	-64.7	-45.6	174.6	-73.5	-179.7	-2.6	0	0	111.9	T472 E473 N478 L479 I480	T472-Q476 WeakPolarHBondContact O-CG 3.2Å; T472-Q476 PolarHBondContact O-N 2.91Å; E473-Q476 PolarHBondContact O-N 2.95Å; Q476-N478 VanDerWaalsContact C-N 3.32Å; Q476-N478 PolarHBondContact O-N 3.42Å; Q476-L479 PolarHBondContact O-N 3.37Å; Q476-I480 VanDerWaalsContact O-CG1 3.3Å; Q476-I480 WeakPolarHBondContact O-CG1 3.33Å; Q476-I480 PolarHBondContact O-N 2.89Å
477	K	58.2	Low	61.8	Low	75 Å²	75	95.2 Å²	95.2	33%	0.326	45%	0.448	S	S	.	.	H	α-helix	trans	-57.5	-45.7	174.1	-74	176.2	-176.5	167.4	0	111.4	E473 Q474 L479 I480 Y481	E473-K477 WeakPolarHBondContact O-CG 3.38Å; E473-K477 PolarHBondContact O-N 3.32Å; E473-K477 WeakPolarHBondContact OE1-CE 3.45Å; E473-K477 IonicContact OE1-NZ 3.09Å; E473-K477 PolarHBondContact OE1-NZ 2.99Å; Q474-K477 PolarHBondContact O-N 3.28Å; K477-L479 PolarHBondContact O-N 3.43Å; K477-I480 PolarHBondContact O-N 3.37Å; K477-Y481 WeakPolarHBondContact O-CB 3.46Å; K477-Y481 PolarHBondContact O-N 3.47Å
478	N	64.5	Low	62.7	Low	72 Å²	72	92.6 Å²	92.6	39%	0.385	43%	0.431	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.2	-71.1	-16.9	0	0	0	111.3	Q474 S475 Q476 I480 Y481 Y482	Q474-N478 PolarHBondContact NE2-OD1 3.48Å; Q474-N478 WeakPolarHBondContact O-CB 3.36Å; Q474-N478 PolarHBondContact O-N 3.32Å; Q474-N478 PolarHBondContact O-ND2 3.1Å; S475-N478 PolarHBondContact O-N 3.35Å; Q476-N478 VanDerWaalsContact C-N 3.32Å; Q476-N478 PolarHBondContact O-N 3.42Å; N478-I480 PolarHBondContact O-N 3.27Å; N478-Y481 WeakPolarHBondContact O-CB 3.01Å; N478-Y481 PolarHBondContact O-N 3.46Å; N478-Y482 WeakPolarHBondContact O-CD2 3.31Å; N478-Y482 PolarHBondContact O-N 2.99Å
479	L	66.6	Low	63.9	Low	101 Å²	101	86.5 Å²	86.5	53%	0.529	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-40.9	178.9	-175.4	64.9	0	0	0	112.4	S475 Q476 K477 Y482 R483	S475-L479 WeakPolarHBondContact O-CB 3.43Å; S475-L479 PolarHBondContact O-N 2.94Å; Q476-L479 PolarHBondContact O-N 3.37Å; K477-L479 PolarHBondContact O-N 3.43Å; L479-Y482 PolarHBondContact O-N 3.11Å; L479-R483 WeakPolarHBondContact O-CB 3.37Å; L479-R483 PolarHBondContact O-N 3.24Å
480	I	67.5	Low	65.4	Low	115 Å²	115	84.5 Å²	84.5	59%	0.59	40%	0.398	S	S	*	.	H	α-helix	trans	-62.7	-47.1	174.8	-67.8	165.6	0	0	0	109.9	Q476 K477 N478 Y482 R483 H484	Q476-I480 VanDerWaalsContact O-CG1 3.3Å; Q476-I480 WeakPolarHBondContact O-CG1 3.33Å; Q476-I480 PolarHBondContact O-N 2.89Å; K477-I480 PolarHBondContact O-N 3.37Å; N478-I480 PolarHBondContact O-N 3.27Å; I480-Y482 PolarHBondContact O-N 3.27Å; I480-R483 PolarHBondContact O-N 2.71Å; I480-H484 WeakPolarHBondContact O-CB 3.44Å; I480-H484 PolarHBondContact O-N 2.96Å
481	Y	70.9	Confident	66.4	Low	120 Å²	120	84.6 Å²	84.6	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-49.3	175.6	175.6	-88.8	0	0	0	111.8	M155 K477 N478 R483 H484 D485	M155-Y481 HydrophobicContact CB-CE2 4.34Å; M155-Y481 HydrophobicContact CG-CE2 3.54Å; M155-Y481 WeakPolarHBondContact CG-OH 3.39Å; M155-Y481 HydrophobicContact SD-CE2 4.16Å; K477-Y481 WeakPolarHBondContact O-CB 3.46Å; K477-Y481 PolarHBondContact O-N 3.47Å; N478-Y481 WeakPolarHBondContact O-CB 3.01Å; N478-Y481 PolarHBondContact O-N 3.46Å; Y481-R483 PolarHBondContact O-N 3.09Å; Y481-H484 PolarHBondContact O-N 3.4Å; Y481-D485 WeakPolarHBondContact O-CB 3.5Å; Y481-D485 PolarHBondContact O-N 3.04Å
482	Y	68.3	Low	67.4	Low	155 Å²	155	78.3 Å²	78.3	61%	0.608	37%	0.365	S	S	*	.	H	α-helix	trans	-61.3	-41.1	178	-84.9	-68.9	0	0	0	112.6	N478 L479 I480 H484 H486	N478-Y482 WeakPolarHBondContact O-CD2 3.31Å; N478-Y482 PolarHBondContact O-N 2.99Å; L479-Y482 PolarHBondContact O-N 3.11Å; I480-Y482 PolarHBondContact O-N 3.27Å; Y482-H484 VanDerWaalsContact C-N 3.34Å; Y482-H486 VanDerWaalsContact O-CB 3.28Å; Y482-H486 WeakPolarHBondContact O-CB 3.49Å; Y482-H486 PolarHBondContact O-N 3.29Å
483	R	68.9	Low	68.9	Low	166 Å²	166	76.5 Å²	76.5	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-64.4	-41.7	177.2	-172	-176.9	-64.2	173.4	0.7	111.3	L479 I480 Y481 H486 F487	L479-R483 WeakPolarHBondContact O-CB 3.37Å; L479-R483 PolarHBondContact O-N 3.24Å; I480-R483 PolarHBondContact O-N 2.71Å; Y481-R483 PolarHBondContact O-N 3.09Å; R483-H486 PolarHBondContact O-N 3.44Å; R483-F487 WeakPolarHBondContact O-CB 3.47Å; R483-F487 PolarHBondContact O-N 3Å
484	H	70.6	Confident	70.3	Confident	41 Å²	41	79.3 Å²	79.3	19%	0.19	36%	0.363	C	S	.	.	H	α-helix	trans	-67.8	-44.6	178.1	-163.8	77.2	0	0	0	111.8	I480 Y481 Y482 H486 F487 I488	I480-H484 WeakPolarHBondContact O-CB 3.44Å; I480-H484 PolarHBondContact O-N 2.96Å; Y481-H484 PolarHBondContact O-N 3.4Å; Y482-H484 VanDerWaalsContact C-N 3.34Å; H484-H486 VanDerWaalsContact C-N 3.31Å; H484-H486 PolarHBondContact O-N 3.44Å; H484-F487 PolarHBondContact O-N 3.12Å; H484-I488 VanDerWaalsContact CD2-CD1 3.47Å; H484-I488 WeakPolarHBondContact CD2-CD1 3.29Å; H484-I488 VanDerWaalsContact NE2-CD1 3.26Å; H484-I488 WeakPolarHBondContact NE2-CD1 3Å; H484-I488 WeakPolarHBondContact O-CB 3.46Å; H484-I488 WeakPolarHBondContact O-CG1 3.35Å; H484-I488 PolarHBondContact O-N 2.85Å
485	D	72.8	Confident	71.5	Confident	27 Å²	27	76.1 Å²	76.1	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-56.1	-45.7	173.4	-168.3	88.2	0	0	0	111.5	P154 M155 R236 Y481 I488 F489	P154-D485 WeakPolarHBondContact CG-OD1 3.24Å; M155-D485 HydrophobicContact CE-CB 4.25Å; R236-D485 IonicContact NH1-OD2 3.33Å; R236-D485 PolarHBondContact NH1-OD2 3.06Å; Y481-D485 WeakPolarHBondContact O-CB 3.5Å; Y481-D485 PolarHBondContact O-N 3.04Å; D485-I488 PolarHBondContact O-N 3.34Å; D485-F489 WeakPolarHBondContact O-CB 3.42Å; D485-F489 PolarHBondContact O-N 3.47Å
486	H	74.9	Confident	73.1	Confident	79 Å²	79	72.8 Å²	72.8	37%	0.366	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-46.5	178.6	-179.7	-94.6	0	0	0	112.8	L240 Y482 R483 H484 F489 H490	L240-H486 WeakPolarHBondContact CD1-CD2 3.33Å; L240-H486 WeakPolarHBondContact CD1-NE2 3.1Å; L240-H486 WeakPolarHBondContact CD2-CD2 3.27Å; Y482-H486 VanDerWaalsContact O-CB 3.28Å; Y482-H486 WeakPolarHBondContact O-CB 3.49Å; Y482-H486 PolarHBondContact O-N 3.29Å; R483-H486 PolarHBondContact O-N 3.44Å; H484-H486 VanDerWaalsContact C-N 3.31Å; H484-H486 PolarHBondContact O-N 3.44Å; H486-F489 PolarHBondContact O-N 3.3Å; H486-H490 PolarHBondContact O-N 3.32Å
487	F	74.2	Confident	74.8	Confident	72 Å²	72	72.1 Å²	72.1	32%	0.316	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-48.1	178.4	175.1	-97.8	0	0	0	111.4	N337 R483 H484 F489 H490 R491	N337-F487 HydrophobicContact CB-CE1 4.3Å; N337-F487 HydrophobicContact CB-CZ 3.71Å; N337-F487 WeakPolarHBondContact ND2-CE2 3.49Å; N337-F487 VanDerWaalsContact ND2-CZ 3.29Å; N337-F487 WeakPolarHBondContact ND2-CZ 3.11Å; N337-F487 WeakPolarHBondContact OD1-CE2 3.16Å; N337-F487 VanDerWaalsContact OD1-CZ 3.24Å; N337-F487 WeakPolarHBondContact OD1-CZ 3.12Å; R483-F487 WeakPolarHBondContact O-CB 3.47Å; R483-F487 PolarHBondContact O-N 3Å; H484-F487 PolarHBondContact O-N 3.12Å; F487-F489 PolarHBondContact O-N 3.32Å; F487-H490 PolarHBondContact O-N 2.89Å; F487-R491 PolarHBondContact O-N 3.48Å; F487-R491 VanDerWaalsContact O-N 3.12Å
488	I	75.4	Confident	76.3	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-47.8	176.5	-76.8	177.4	0	0	0	110.6	P154 M155 F158 H484 D485 H490 R491 E492	P154-I488 HydrophobicContact CB-CG2 3.73Å; M155-I488 HydrophobicContact CE-CB 4.38Å; M155-I488 HydrophobicContact CE-CD1 3.54Å; M155-I488 HydrophobicContact CE-CG1 4.47Å; M155-I488 HydrophobicContact CE-CG2 4.5Å; F158-I488 HydrophobicContact CD2-CD1 4.18Å; F158-I488 HydrophobicContact CD2-CG2 4.08Å; F158-I488 HydrophobicContact CE2-CB 4.47Å; F158-I488 HydrophobicContact CE2-CD1 4.06Å; F158-I488 HydrophobicContact CE2-CG1 4.42Å; F158-I488 HydrophobicContact CE2-CG2 3.29Å; F158-I488 HydrophobicContact CZ-CD1 4.5Å; F158-I488 HydrophobicContact CZ-CG2 4.01Å; H484-I488 VanDerWaalsContact CD2-CD1 3.47Å; H484-I488 WeakPolarHBondContact CD2-CD1 3.29Å; H484-I488 VanDerWaalsContact NE2-CD1 3.26Å; H484-I488 WeakPolarHBondContact NE2-CD1 3Å; H484-I488 WeakPolarHBondContact O-CB 3.46Å; H484-I488 WeakPolarHBondContact O-CG1 3.35Å; H484-I488 PolarHBondContact O-N 2.85Å; D485-I488 PolarHBondContact O-N 3.34Å; I488-H490 VanDerWaalsContact C-N 3.32Å; I488-H490 PolarHBondContact O-N 2.96Å; I488-R491 WeakPolarHBondContact O-CB 3.32Å; I488-R491 PolarHBondContact O-N 2.79Å; I488-R491 VanDerWaalsContact O-N 3.16Å; I488-E492 HydrophobicContact CG2-CG 4.17Å; I488-E492 WeakPolarHBondContact O-CG 3.48Å; I488-E492 PolarHBondContact O-N 3.17Å
489	F	78	Confident	77.5	Confident	5 Å²	5	66.9 Å²	66.9	2%	0.022	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-45.8	178.6	170.1	-94.8	0	0	0	112	I151 I233 R236 D485 H486 F487 R491 E492 Q493	I151-F489 HydrophobicContact CG2-CD2 4.34Å; I151-F489 HydrophobicContact CG2-CE2 3.81Å; I233-F489 HydrophobicContact CB-CZ 4.33Å; I233-F489 HydrophobicContact CG1-CE2 4.26Å; I233-F489 HydrophobicContact CG1-CZ 4.02Å; I233-F489 HydrophobicContact CG2-CZ 4.35Å; R236-F489 HydrophobicContact CB-CE1 4.31Å; R236-F489 HydrophobicContact CB-CE2 4.31Å; R236-F489 HydrophobicContact CB-CZ 3.94Å; R236-F489 HydrophobicContact CG-CE2 4.37Å; R236-F489 HydrophobicContact CG-CZ 4.5Å; D485-F489 WeakPolarHBondContact O-CB 3.42Å; D485-F489 PolarHBondContact O-N 3.47Å; H486-F489 PolarHBondContact O-N 3.3Å; F487-F489 PolarHBondContact O-N 3.32Å; F489-R491 VanDerWaalsContact C-N 3.34Å; F489-R491 PolarHBondContact O-N 2.75Å; F489-E492 PolarHBondContact O-N 3.03Å; F489-Q493 WeakPolarHBondContact O-CB 3.43Å; F489-Q493 PolarHBondContact O-N 2.88Å
490	H	75.8	Confident	78.7	Confident	82 Å²	82	63.6 Å²	63.6	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-36.4	179.4	-176.7	-107.4	0	0	0	112.6	H486 F487 I488 K494	H486-H490 PolarHBondContact O-N 3.32Å; F487-H490 PolarHBondContact O-N 2.89Å; I488-H490 VanDerWaalsContact C-N 3.32Å; I488-H490 PolarHBondContact O-N 2.96Å; H490-K494 VanDerWaalsContact CE1-CE 3.45Å; H490-K494 WeakPolarHBondContact CE1-CE 3.26Å; H490-K494 PolarHBondContact O-N 2.96Å
491	R	75.8	Confident	79.9	Confident	82 Å²	82	60.2 Å²	60.2	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-46.1	173.5	-175.3	-177.9	-179	-179.6	3.3	111.8	D341 F487 I488 F489 Q493 K494 T495	D341-R491 IonicContact OD2-NH1 3.87Å; F487-R491 PolarHBondContact O-N 3.48Å; F487-R491 VanDerWaalsContact O-N 3.12Å; I488-R491 WeakPolarHBondContact O-CB 3.32Å; I488-R491 PolarHBondContact O-N 2.79Å; I488-R491 VanDerWaalsContact O-N 3.16Å; F489-R491 VanDerWaalsContact C-N 3.34Å; F489-R491 PolarHBondContact O-N 2.75Å; R491-Q493 VanDerWaalsContact C-N 3.33Å; R491-Q493 PolarHBondContact O-N 3.33Å; R491-K494 PolarHBondContact O-N 2.89Å; R491-T495 PolarHBondContact O-N 3.5Å; R491-T495 PolarHBondContact O-OG1 2.96Å
492	E	81.5	Confident	81	Confident	14 Å²	14	54.5 Å²	54.5	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-34.6	179.4	-65.6	-60.3	138.9	0	0	111.7	R147 A150 I151 I488 F489 T495 A496	R147-E492 IonicContact CZ-OE2 2.66Å; R147-E492 VanDerWaalsContact CZ-OE2 3.31Å; R147-E492 IonicContact NH1-OE2 2.85Å; R147-E492 PolarHBondContact NH1-OE2 3.41Å; R147-E492 IonicContact NH2-OE2 4Å; R147-E492 PolarHBondContact NH2-OE2 3.11Å; R147-E492 VanDerWaalsContact NH2-OE2 3.15Å; A150-E492 HydrophobicContact CB-CG 4.47Å; I151-E492 HydrophobicContact CG1-CB 4.29Å; I488-E492 HydrophobicContact CG2-CG 4.17Å; I488-E492 WeakPolarHBondContact O-CG 3.48Å; I488-E492 PolarHBondContact O-N 3.17Å; F489-E492 PolarHBondContact O-N 3.03Å; E492-T495 PolarHBondContact O-N 3.29Å; E492-A496 PolarHBondContact O-N 3.42Å
493	Q	81.7	Confident	82.2	Confident	34 Å²	34	47.7 Å²	47.7	16%	0.159	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-48	175.5	-178.3	-175.1	-1.7	0	0	112.2	I233 F489 R491 T495 A496 L497	I233-Q493 HydrophobicContact CD1-CG 4.11Å; I233-Q493 HydrophobicContact CG1-CG 4.47Å; I233-Q493 HydrophobicContact CG2-CG 4.41Å; F489-Q493 WeakPolarHBondContact O-CB 3.43Å; F489-Q493 PolarHBondContact O-N 2.88Å; R491-Q493 VanDerWaalsContact C-N 3.33Å; R491-Q493 PolarHBondContact O-N 3.33Å; Q493-T495 VanDerWaalsContact C-N 3.26Å; Q493-T495 PolarHBondContact O-N 3.38Å; Q493-A496 PolarHBondContact O-N 3.15Å; Q493-L497 PolarHBondContact O-N 2.95Å
494	K	84.4	Confident	83.4	Confident	109 Å²	109	41 Å²	41	47%	0.474	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-41.8	177.6	-71.5	-178.9	179.1	179.4	0	111.3	H490 R491 L497 I498	H490-K494 VanDerWaalsContact CE1-CE 3.45Å; H490-K494 WeakPolarHBondContact CE1-CE 3.26Å; H490-K494 PolarHBondContact O-N 2.96Å; R491-K494 PolarHBondContact O-N 2.89Å; K494-L497 PolarHBondContact O-N 3.34Å; K494-I498 WeakPolarHBondContact O-CG1 3.5Å; K494-I498 PolarHBondContact O-N 2.85Å
495	T	85.4	Confident	84.5	Confident	34 Å²	34	40.1 Å²	40.1	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-41.8	177.7	-53.4	0	0	0	0	111.2	R491 E492 Q493 L497 I498 L499	R491-T495 PolarHBondContact O-N 3.5Å; R491-T495 PolarHBondContact O-OG1 2.96Å; E492-T495 PolarHBondContact O-N 3.29Å; Q493-T495 VanDerWaalsContact C-N 3.26Å; Q493-T495 PolarHBondContact O-N 3.38Å; T495-L497 VanDerWaalsContact C-N 3.35Å; T495-L497 PolarHBondContact O-N 2.02Å; T495-I498 PolarHBondContact O-N 2.73Å; T495-L499 HydrophobicContact CG2-CD1 3.93Å; T495-L499 WeakPolarHBondContact O-CG 3.45Å; T495-L499 PolarHBondContact O-N 2.65Å; T495-L499 VanDerWaalsContact O-N 3.12Å
496	A	87.3	Confident	85.6	Confident	3 Å²	3	39 Å²	39	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-34.1	177.2	0	0	0	0	0	113.4	R147 I151 E492 Q493 L499 A500	R147-A496 HydrophobicContact CB-CB 4.43Å; R147-A496 HydrophobicContact CG-CB 4.33Å; I151-A496 HydrophobicContact CD1-CB 3.41Å; I151-A496 VanDerWaalsContact CD1-CB 3.41Å; E492-A496 PolarHBondContact O-N 3.42Å; Q493-A496 PolarHBondContact O-N 3.15Å; A496-L499 PolarHBondContact O-N 3.11Å; A496-A500 WeakPolarHBondContact O-CB 3.42Å; A496-A500 PolarHBondContact O-N 3.46Å
497	L	88.7	Confident	86.5	Confident	115 Å²	115	36.4 Å²	36.4	60%	0.602	20%	0.196	S	C	*	.	H	α-helix	trans	-63.1	-42.7	174.5	-178.9	64.3	0	0	0	111.9	Q493 K494 T495 L499 A500 A501	Q493-L497 PolarHBondContact O-N 2.95Å; K494-L497 PolarHBondContact O-N 3.34Å; T495-L497 VanDerWaalsContact C-N 3.35Å; T495-L497 PolarHBondContact O-N 2.02Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-A500 WeakPolarHBondContact O-CB 3.27Å; L497-A500 PolarHBondContact O-N 2.82Å; L497-A501 PolarHBondContact O-N 3.4Å; L497-A501 VanDerWaalsContact O-N 3.1Å
498	I	89.5	Confident	87.5	Confident	28 Å²	28	38.8 Å²	38.8	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-44.5	177.4	-61.1	171.8	0	0	0	110.2	K494 T495 A500 A501 V502 I549 F553	K494-I498 WeakPolarHBondContact O-CG1 3.5Å; K494-I498 PolarHBondContact O-N 2.85Å; T495-I498 PolarHBondContact O-N 2.73Å; I498-A500 VanDerWaalsContact C-N 3.32Å; I498-A500 PolarHBondContact O-N 3.27Å; I498-A501 VanDerWaalsContact O-CB 3.31Å; I498-A501 WeakPolarHBondContact O-CB 3.36Å; I498-A501 PolarHBondContact O-N 2.97Å; I498-A501 VanDerWaalsContact O-N 3.11Å; I498-V502 PolarHBondContact O-N 3.38Å; I498-I549 HydrophobicContact CG2-CG2 3.85Å; I498-F553 HydrophobicContact CB-CB 4.45Å; I498-F553 HydrophobicContact CD1-CB 3.7Å; I498-F553 WeakPolarHBondContact CD1-O 3.11Å; I498-F553 HydrophobicContact CG1-CB 3.7Å; I498-F553 HydrophobicContact CG2-CB 3.96Å
499	L	90.2	Very high	88.5	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-30.4	179.8	-64.5	165.1	0	0	0	112	I87 I143 R147 Y226 T495 A496 L497 A501 V502 V503 Y550	I87-L499 HydrophobicContact CD1-CD2 4.3Å; I87-L499 HydrophobicContact CG1-CD2 4.32Å; I143-L499 HydrophobicContact CG2-CB 3.88Å; I143-L499 HydrophobicContact CG2-CD1 3.74Å; I143-L499 HydrophobicContact CG2-CD2 3.82Å; I143-L499 HydrophobicContact CG2-CG 4Å; R147-L499 VanDerWaalsContact CD-CD1 3.47Å; R147-L499 HydrophobicContact CG-CD1 3.67Å; Y226-L499 PolarHBondContact OH-O 3.4Å; T495-L499 HydrophobicContact CG2-CD1 3.93Å; T495-L499 WeakPolarHBondContact O-CG 3.45Å; T495-L499 PolarHBondContact O-N 2.65Å; T495-L499 VanDerWaalsContact O-N 3.12Å; A496-L499 PolarHBondContact O-N 3.11Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L499-A501 VanDerWaalsContact C-N 3.27Å; L499-A501 PolarHBondContact O-N 3.31Å; L499-V502 WeakPolarHBondContact O-CB 3.18Å; L499-V502 PolarHBondContact O-N 3.39Å; L499-V503 WeakPolarHBondContact O-CG2 3.32Å; L499-V503 PolarHBondContact O-N 2.77Å; L499-Y550 HydrophobicContact CD2-CE1 4.34Å
500	A	91.6	Very high	89.4	Confident	32 Å²	32	39 Å²	39	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-35.8	169	0	0	0	0	0	111.8	Y226 A496 L497 I498 V503 G504	Y226-A500 HydrophobicContact CD1-CB 4.08Å; Y226-A500 HydrophobicContact CE1-CB 3.51Å; Y226-A500 PolarHBondContact OH-N 3.22Å; A496-A500 WeakPolarHBondContact O-CB 3.42Å; A496-A500 PolarHBondContact O-N 3.46Å; L497-A500 WeakPolarHBondContact O-CB 3.27Å; L497-A500 PolarHBondContact O-N 2.82Å; I498-A500 VanDerWaalsContact C-N 3.32Å; I498-A500 PolarHBondContact O-N 3.27Å; A500-V503 PolarHBondContact O-N 3.1Å; A500-G504 PolarHBondContact O-N 3.14Å
501	A	92.5	Very high	90.3	Very high	44 Å²	44	38.5 Å²	38.5	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-40.5	174.6	0	0	0	0	0	111.9	L497 I498 L499 V503 G504 C505	L497-A501 PolarHBondContact O-N 3.4Å; L497-A501 VanDerWaalsContact O-N 3.1Å; I498-A501 VanDerWaalsContact O-CB 3.31Å; I498-A501 WeakPolarHBondContact O-CB 3.36Å; I498-A501 PolarHBondContact O-N 2.97Å; I498-A501 VanDerWaalsContact O-N 3.11Å; L499-A501 VanDerWaalsContact C-N 3.27Å; L499-A501 PolarHBondContact O-N 3.31Å; A501-V503 VanDerWaalsContact C-N 3.35Å; A501-V503 PolarHBondContact O-N 2.61Å; A501-G504 PolarHBondContact O-N 3.46Å; A501-C505 WeakPolarHBondContact O-CB 3.45Å; A501-C505 PolarHBondContact O-N 2.89Å
502	V	93.4	Very high	91.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-47.1	173.2	179.7	0	0	0	0	110.6	L90 L140 I498 L499 C505 F506 I549 Y550	L90-V502 HydrophobicContact CD2-CG1 3.98Å; L140-V502 HydrophobicContact CD2-CG1 3.68Å; I498-V502 PolarHBondContact O-N 3.38Å; L499-V502 WeakPolarHBondContact O-CB 3.18Å; L499-V502 PolarHBondContact O-N 3.39Å; V502-C505 WeakPolarHBondContact O-CB 3.47Å; V502-C505 PolarHBondContact O-N 3.21Å; V502-F506 PolarHBondContact O-N 3.11Å; V502-I549 HydrophobicContact CG2-CB 4.43Å; V502-I549 HydrophobicContact CG2-CD1 4.06Å; V502-I549 HydrophobicContact CG2-CG2 3.74Å; V502-Y550 HydrophobicContact CG2-CE1 4.29Å
503	V	93.6	Very high	91.9	Very high	11 Å²	11	36.7 Å²	36.7	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-41.9	178.2	165.4	0	0	0	0	112.6	L140 I222 Y226 L499 A500 A501 F506 T507	L140-V503 HydrophobicContact CB-CG2 4.21Å; L140-V503 HydrophobicContact CD2-CG2 3.91Å; L140-V503 HydrophobicContact CG-CG2 4.43Å; I222-V503 HydrophobicContact CG2-CG1 3.34Å; I222-V503 HydrophobicContact CG2-CG2 4.46Å; Y226-V503 HydrophobicContact CD2-CG1 4.28Å; Y226-V503 HydrophobicContact CE2-CB 4.06Å; Y226-V503 HydrophobicContact CE2-CG1 3.89Å; Y226-V503 HydrophobicContact CE2-CG2 3.77Å; L499-V503 WeakPolarHBondContact O-CG2 3.32Å; L499-V503 PolarHBondContact O-N 2.77Å; A500-V503 PolarHBondContact O-N 3.1Å; A501-V503 VanDerWaalsContact C-N 3.35Å; A501-V503 PolarHBondContact O-N 2.61Å; V503-F506 PolarHBondContact O-N 2.96Å; V503-T507 PolarHBondContact O-N 3.4Å; V503-T507 PolarHBondContact O-OG1 3.1Å
504	G	93.7	Very high	92.5	Very high	26 Å²	26	35.9 Å²	35.9	27%	0.268	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-42.2	176	0	0	0	0	0	111.9	A500 A501 T507 I508	A500-G504 PolarHBondContact O-N 3.14Å; A501-G504 PolarHBondContact O-N 3.46Å; G504-T507 PolarHBondContact O-N 3.26Å; G504-I508 VanDerWaalsContact O-CG1 3.31Å; G504-I508 WeakPolarHBondContact O-CG1 3.26Å; G504-I508 PolarHBondContact O-N 3.03Å
505	C	95.2	Very high	93	Very high	23 Å²	23	34.6 Å²	34.6	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-49.5	175.2	-171.1	0	0	0	0	111.5	A501 V502 T507 I508 C509 C545 I549	A501-C505 WeakPolarHBondContact O-CB 3.45Å; A501-C505 PolarHBondContact O-N 2.89Å; V502-C505 WeakPolarHBondContact O-CB 3.47Å; V502-C505 PolarHBondContact O-N 3.21Å; C505-T507 VanDerWaalsContact C-N 3.3Å; C505-T507 PolarHBondContact O-N 3.48Å; C505-I508 PolarHBondContact O-N 3.38Å; C505-C509 WeakPolarHBondContact O-CB 3.29Å; C505-C509 PolarHBondContact O-N 3.2Å; C505-C509 PolarHBondContact O-SG 2.99Å; C505-C509 VanDerWaalsContact O-SG 3.37Å; C505-C545 WeakPolarHBondContact SG-CB 3.49Å; C505-I549 HydrophobicContact CB-CD1 4.37Å
506	F	95	Very high	93.4	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-56.1	-47	176.6	-175.7	-80.4	0	0	0	111.8	I137 L140 F215 V502 V503 C509 W510 N542	I137-F506 HydrophobicContact CB-CE1 3.76Å; I137-F506 HydrophobicContact CB-CE2 4.38Å; I137-F506 HydrophobicContact CB-CZ 3.66Å; I137-F506 HydrophobicContact CD1-CD1 4.33Å; I137-F506 HydrophobicContact CD1-CE1 3.69Å; I137-F506 HydrophobicContact CD1-CZ 4.42Å; I137-F506 HydrophobicContact CG1-CD1 4.41Å; I137-F506 HydrophobicContact CG1-CE1 3.9Å; I137-F506 HydrophobicContact CG1-CZ 4.33Å; L140-F506 HydrophobicContact CD1-CB 3.44Å; L140-F506 VanDerWaalsContact CD1-CB 3.44Å; L140-F506 HydrophobicContact CD1-CD1 4.02Å; L140-F506 HydrophobicContact CD1-CD2 3.65Å; L140-F506 HydrophobicContact CD1-CE2 4.46Å; L140-F506 HydrophobicContact CD1-CG 3.4Å; L140-F506 VanDerWaalsContact CD1-CG 3.4Å; F215-F506 AromaticContact CD2-CE1 3.96Å; F215-F506 HydrophobicContact CD2-CE1 3.96Å; F215-F506 HydrophobicContact CE2-CD1 4.28Å; F215-F506 AromaticContact CE2-CE1 3.83Å; F215-F506 HydrophobicContact CE2-CE1 3.83Å; V502-F506 PolarHBondContact O-N 3.11Å; V503-F506 PolarHBondContact O-N 2.96Å; F506-C509 PolarHBondContact O-N 3.28Å; F506-W510 AromaticContact CD2-CD1 3.77Å; F506-W510 HydrophobicContact CE1-CB 4.14Å; F506-W510 AromaticContact CE1-CD1 3.87Å; F506-W510 HydrophobicContact CE1-CG 4.14Å; F506-W510 AromaticContact CE2-CD1 3.49Å; F506-W510 VanDerWaalsContact CE2-CD1 3.49Å; F506-W510 HydrophobicContact CE2-CG 4.35Å; F506-W510 AromaticContact CE2-NE1 3.68Å; F506-W510 HydrophobicContact CZ-CB 4.44Å; F506-W510 AromaticContact CZ-CD1 3.52Å; F506-W510 AromaticContact CZ-CG 3.97Å; F506-W510 HydrophobicContact CZ-CG 3.97Å; F506-W510 AromaticContact CZ-NE1 3.99Å; F506-W510 WeakPolarHBondContact O-CB 3.47Å; F506-W510 PolarHBondContact O-N 2.78Å; F506-N542 WeakPolarHBondContact CA-OD1 3.24Å; F506-N542 WeakPolarHBondContact CB-OD1 3.28Å; F506-N542 WeakPolarHBondContact CD2-ND2 3.35Å; F506-N542 PolarHBondContact N-OD1 3.38Å
507	T	94.5	Very high	93.6	Very high	25 Å²	25	34 Å²	34	15%	0.153	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-53.9	179.4	-56.1	0	0	0	0	110.7	F219 V503 G504 C505 C509 W510 F511	F219-T507 HydrophobicContact CD2-CG2 3.84Å; F219-T507 HydrophobicContact CE2-CG2 3.26Å; F219-T507 HydrophobicContact CZ-CG2 3.97Å; V503-T507 PolarHBondContact O-N 3.4Å; V503-T507 PolarHBondContact O-OG1 3.1Å; G504-T507 PolarHBondContact O-N 3.26Å; C505-T507 VanDerWaalsContact C-N 3.3Å; C505-T507 PolarHBondContact O-N 3.48Å; T507-C509 VanDerWaalsContact C-N 3.25Å; T507-C509 PolarHBondContact O-N 3.23Å; T507-W510 PolarHBondContact O-N 2.97Å; T507-F511 HydrophobicContact CG2-CB 4.5Å; T507-F511 HydrophobicContact CG2-CD2 4.36Å; T507-F511 WeakPolarHBondContact O-CB 3.33Å; T507-F511 PolarHBondContact O-N 2.89Å
508	I	95.5	Very high	93.8	Very high	122 Å²	122	30.3 Å²	30.3	63%	0.626	18%	0.177	S	C	*	.	H	α-helix	trans	-60.4	-37.9	-176.9	-68.5	166	0	0	0	111.3	G504 C505 P512	G504-I508 VanDerWaalsContact O-CG1 3.31Å; G504-I508 WeakPolarHBondContact O-CG1 3.26Å; G504-I508 PolarHBondContact O-N 3.03Å; C505-I508 PolarHBondContact O-N 3.38Å; I508-P512 VanDerWaalsContact O-CD 3.29Å; I508-P512 WeakPolarHBondContact O-CD 3.48Å
509	C	96	Very high	94	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-71.6	-44	-179.3	-76.4	0	0	0	0	113.5	C505 F506 T507 L538 G539 N542	C505-C509 WeakPolarHBondContact O-CB 3.29Å; C505-C509 PolarHBondContact O-N 3.2Å; C505-C509 PolarHBondContact O-SG 2.99Å; C505-C509 VanDerWaalsContact O-SG 3.37Å; F506-C509 PolarHBondContact O-N 3.28Å; T507-C509 VanDerWaalsContact C-N 3.25Å; T507-C509 PolarHBondContact O-N 3.23Å; C509-L538 VanDerWaalsContact CB-O 3.24Å; C509-L538 WeakPolarHBondContact CB-O 3.15Å; C509-L538 CarbonylContact O-C 3.58Å; C509-L538 PolarHBondContact SG-O 2.96Å; C509-L538 VanDerWaalsContact SG-O 3.42Å; C509-G539 WeakPolarHBondContact O-CA 3.37Å; C509-G539 PolarHBondContact O-N 3.49Å; C509-N542 HydrophobicContact CB-CB 3.81Å
510	W	95.4	Very high	94	Very high	13 Å²	13	29.8 Å²	29.8	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-93.9	-25.6	-172.5	-79.4	101.2	0	0	0	114.6	C133 F215 F506 T507 F513 F514 G539 Y540	C133-W510 HydrophobicContact CB-CH2 3.95Å; C133-W510 HydrophobicContact CB-CZ2 3.96Å; C133-W510 HydrophobicContact CB-CZ3 4.42Å; C133-W510 VanDerWaalsContact SG-CD2 3.57Å; C133-W510 VanDerWaalsContact SG-CE2 3.55Å; F215-W510 HydrophobicContact CD2-CB 4.1Å; F215-W510 HydrophobicContact CE2-CB 3.7Å; F215-W510 HydrophobicContact CZ-CB 4.49Å; F506-W510 AromaticContact CD2-CD1 3.77Å; F506-W510 HydrophobicContact CE1-CB 4.14Å; F506-W510 AromaticContact CE1-CD1 3.87Å; F506-W510 HydrophobicContact CE1-CG 4.14Å; F506-W510 AromaticContact CE2-CD1 3.49Å; F506-W510 VanDerWaalsContact CE2-CD1 3.49Å; F506-W510 HydrophobicContact CE2-CG 4.35Å; F506-W510 AromaticContact CE2-NE1 3.68Å; F506-W510 HydrophobicContact CZ-CB 4.44Å; F506-W510 AromaticContact CZ-CD1 3.52Å; F506-W510 AromaticContact CZ-CG 3.97Å; F506-W510 HydrophobicContact CZ-CG 3.97Å; F506-W510 AromaticContact CZ-NE1 3.99Å; F506-W510 WeakPolarHBondContact O-CB 3.47Å; F506-W510 PolarHBondContact O-N 2.78Å; T507-W510 PolarHBondContact O-N 2.97Å; W510-F513 HydrophobicContact CE3-CB 4.35Å; W510-F513 HydrophobicContact CE3-CD1 4.18Å; W510-F513 HydrophobicContact CE3-CG 4.39Å; W510-F513 HydrophobicContact CZ3-CD1 4.13Å; W510-F513 HydrophobicContact CZ3-CG 4.37Å; W510-F513 PolarHBondContact O-N 3.08Å; W510-F513 VanDerWaalsContact O-N 3.11Å; W510-F514 HydrophobicContact CB-CD2 4.19Å; W510-F514 HydrophobicContact CB-CE2 4.15Å; W510-F514 HydrophobicContact CD2-CE2 4.25Å; W510-F514 HydrophobicContact CE3-CD2 4.31Å; W510-F514 AromaticContact CE3-CE2 3.64Å; W510-F514 HydrophobicContact CE3-CE2 3.64Å; W510-F514 HydrophobicContact CE3-CZ 4.41Å; W510-F514 HydrophobicContact CG-CE2 4.5Å; W510-F514 HydrophobicContact CZ3-CE2 4.4Å; W510-F514 WeakPolarHBondContact O-CD2 3.03Å; W510-F514 PolarHBondContact O-N 2.88Å; W510-G539 PolarHBondContact NE1-O 2.9Å; W510-Y540 HydrophobicContact CH2-CE1 4.34Å
511	F	95.6	Very high	93.9	Very high	72 Å²	72	28.3 Å²	28.3	32%	0.316	17%	0.165	S	C	.	.	H	α-helix	trans	-54.8	-43.2	-177.1	-168	-89	0	0	0	113.2	F215 F216 F219 T507 F513 F514 I515	F215-F511 HydrophobicContact CE1-CB 4.13Å; F215-F511 AromaticContact CE1-CD2 3.55Å; F215-F511 HydrophobicContact CE1-CD2 3.55Å; F215-F511 HydrophobicContact CE1-CE2 4.36Å; F215-F511 HydrophobicContact CE1-CG 4.17Å; F215-F511 HydrophobicContact CZ-CB 3.8Å; F215-F511 AromaticContact CZ-CD2 3.81Å; F215-F511 HydrophobicContact CZ-CD2 3.81Å; F215-F511 HydrophobicContact CZ-CG 4.26Å; F216-F511 HydrophobicContact CE1-CE2 4.11Å; F219-F511 HydrophobicContact CE1-CE2 4.36Å; T507-F511 HydrophobicContact CG2-CB 4.5Å; T507-F511 HydrophobicContact CG2-CD2 4.36Å; T507-F511 WeakPolarHBondContact O-CB 3.33Å; T507-F511 PolarHBondContact O-N 2.89Å; F511-F513 PolarHBondContact O-N 3.03Å; F511-F514 PolarHBondContact O-N 3.48Å; F511-I515 HydrophobicContact CD1-CD1 3.61Å; F511-I515 HydrophobicContact CD1-CG1 4.02Å; F511-I515 HydrophobicContact CE1-CD1 3.1Å; F511-I515 HydrophobicContact CE1-CG1 3.86Å; F511-I515 HydrophobicContact CZ-CD1 3.81Å; F511-I515 HydrophobicContact CZ-CG1 4.38Å; F511-I515 PolarHBondContact O-N 3.47Å
512	P	96.2	Very high	93.9	Very high	40 Å²	40	31.9 Å²	31.9	26%	0.26	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-39.1	177.4	-26.3	38.7	0	0	0	113.6	I508 I515 C516 V535 L538	I508-P512 VanDerWaalsContact O-CD 3.29Å; I508-P512 WeakPolarHBondContact O-CD 3.48Å; P512-I515 PolarHBondContact O-N 3Å; P512-C516 PolarHBondContact O-N 2.86Å; P512-C516 PolarHBondContact O-SG 2.98Å; P512-C516 VanDerWaalsContact O-SG 3.38Å; P512-V535 HydrophobicContact CB-CB 4.24Å; P512-V535 HydrophobicContact CB-CG1 3.83Å; P512-L538 HydrophobicContact CB-CD2 4.36Å; P512-L538 HydrophobicContact CG-CD2 3.83Å
513	F	94.3	Very high	93.8	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-49.4	178.4	176.5	-91	0	0	0	111.4	I200 W510 F511 I515 C516 I517 V535 S536	I200-F513 HydrophobicContact CD1-CZ 4.37Å; W510-F513 HydrophobicContact CE3-CB 4.35Å; W510-F513 HydrophobicContact CE3-CD1 4.18Å; W510-F513 HydrophobicContact CE3-CG 4.39Å; W510-F513 HydrophobicContact CZ3-CD1 4.13Å; W510-F513 HydrophobicContact CZ3-CG 4.37Å; W510-F513 PolarHBondContact O-N 3.08Å; W510-F513 VanDerWaalsContact O-N 3.11Å; F511-F513 PolarHBondContact O-N 3.03Å; F513-I515 VanDerWaalsContact C-N 3.34Å; F513-I515 PolarHBondContact O-N 3.3Å; F513-C516 WeakPolarHBondContact O-CB 3.5Å; F513-C516 PolarHBondContact O-N 3.42Å; F513-C516 VanDerWaalsContact O-N 3.11Å; F513-I517 HydrophobicContact CD1-CG1 4.27Å; F513-I517 HydrophobicContact CE1-CD1 4.46Å; F513-I517 HydrophobicContact CE1-CG1 3.81Å; F513-I517 HydrophobicContact CZ-CD1 4.1Å; F513-I517 HydrophobicContact CZ-CG1 3.95Å; F513-I517 WeakPolarHBondContact O-CG1 3.37Å; F513-I517 PolarHBondContact O-N 3.47Å; F513-V535 HydrophobicContact CB-CB 4.23Å; F513-V535 HydrophobicContact CB-CG2 4.13Å; F513-V535 HydrophobicContact CD2-CG2 3.98Å; F513-S536 WeakPolarHBondContact CE2-OG 3.49Å
514	F	94.4	Very high	93.4	Very high	18 Å²	18	39.9 Å²	39.9	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-30.6	-179.3	-73.5	-75.9	0	0	0	112.8	F215 F216 W510 F511 I518	F215-F514 HydrophobicContact CB-CB 4.17Å; F215-F514 HydrophobicContact CB-CD1 3.62Å; F215-F514 HydrophobicContact CB-CD2 3.35Å; F215-F514 HydrophobicContact CB-CE1 3.72Å; F215-F514 HydrophobicContact CB-CE2 3.48Å; F215-F514 VanDerWaalsContact CB-CE2 3.48Å; F215-F514 HydrophobicContact CB-CG 3.43Å; F215-F514 VanDerWaalsContact CB-CG 3.43Å; F215-F514 HydrophobicContact CB-CZ 3.66Å; F215-F514 HydrophobicContact CD1-CB 3.77Å; F215-F514 AromaticContact CD1-CD2 3.81Å; F215-F514 HydrophobicContact CD1-CD2 3.81Å; F215-F514 AromaticContact CD1-CG 3.88Å; F215-F514 HydrophobicContact CD1-CG 3.88Å; F215-F514 AromaticContact CD2-CD2 3.48Å; F215-F514 HydrophobicContact CD2-CD2 3.48Å; F215-F514 VanDerWaalsContact CD2-CD2 3.48Å; F215-F514 AromaticContact CD2-CE2 3.64Å; F215-F514 HydrophobicContact CD2-CE2 3.64Å; F215-F514 HydrophobicContact CD2-CG 4.31Å; F215-F514 HydrophobicContact CE1-CB 4.42Å; F215-F514 HydrophobicContact CE1-CD2 4.47Å; F215-F514 HydrophobicContact CE2-CD2 4.2Å; F215-F514 HydrophobicContact CG-CB 4.06Å; F215-F514 HydrophobicContact CG-CD1 4.33Å; F215-F514 AromaticContact CG-CD2 3.25Å; F215-F514 HydrophobicContact CG-CD2 3.25Å; F215-F514 AromaticContact CG-CE2 3.69Å; F215-F514 HydrophobicContact CG-CE2 3.69Å; F215-F514 AromaticContact CG-CG 3.62Å; F215-F514 HydrophobicContact CG-CG 3.62Å; F215-F514 HydrophobicContact CG-CZ 4.38Å; F216-F514 HydrophobicContact CE2-CB 3.74Å; F216-F514 HydrophobicContact CZ-CB 4.13Å; W510-F514 HydrophobicContact CB-CD2 4.19Å; W510-F514 HydrophobicContact CB-CE2 4.15Å; W510-F514 HydrophobicContact CD2-CE2 4.25Å; W510-F514 HydrophobicContact CE3-CD2 4.31Å; W510-F514 AromaticContact CE3-CE2 3.64Å; W510-F514 HydrophobicContact CE3-CE2 3.64Å; W510-F514 HydrophobicContact CE3-CZ 4.41Å; W510-F514 HydrophobicContact CG-CE2 4.5Å; W510-F514 HydrophobicContact CZ3-CE2 4.4Å; W510-F514 WeakPolarHBondContact O-CD2 3.03Å; W510-F514 PolarHBondContact O-N 2.88Å; F511-F514 PolarHBondContact O-N 3.48Å; F514-I518 WeakPolarHBondContact O-CG1 3.37Å; F514-I518 PolarHBondContact O-N 3Å; F514-I518 VanDerWaalsContact O-N 3.09Å
515	I	95	Very high	93.1	Very high	82 Å²	82	41 Å²	41	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-44.9	167.4	-78.6	-164.4	0	0	0	110.9	F216 F511 P512 F513 I517 I518 G519	F216-I515 HydrophobicContact CZ-CG1 4.22Å; F511-I515 HydrophobicContact CD1-CD1 3.61Å; F511-I515 HydrophobicContact CD1-CG1 4.02Å; F511-I515 HydrophobicContact CE1-CD1 3.1Å; F511-I515 HydrophobicContact CE1-CG1 3.86Å; F511-I515 HydrophobicContact CZ-CD1 3.81Å; F511-I515 HydrophobicContact CZ-CG1 4.38Å; F511-I515 PolarHBondContact O-N 3.47Å; P512-I515 PolarHBondContact O-N 3Å; F513-I515 VanDerWaalsContact C-N 3.34Å; F513-I515 PolarHBondContact O-N 3.3Å; I515-I517 PolarHBondContact O-N 3.49Å; I515-I518 PolarHBondContact O-N 3.46Å; I515-G519 PolarHBondContact O-N 3.5Å
516	C	94	Very high	92.6	Very high	14 Å²	14	45.8 Å²	45.8	10%	0.095	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-45.4	178.7	-75.7	0	0	0	0	111.8	P512 F513 I518 G519 E520 Y527 I532 V535	P512-C516 PolarHBondContact O-N 2.86Å; P512-C516 PolarHBondContact O-SG 2.98Å; P512-C516 VanDerWaalsContact O-SG 3.38Å; F513-C516 WeakPolarHBondContact O-CB 3.5Å; F513-C516 PolarHBondContact O-N 3.42Å; F513-C516 VanDerWaalsContact O-N 3.11Å; C516-I518 PolarHBondContact O-N 3.25Å; C516-G519 PolarHBondContact O-N 3.33Å; C516-E520 WeakPolarHBondContact O-CG 2.98Å; C516-E520 PolarHBondContact O-N 3.22Å; C516-Y527 HydrophobicContact CB-CD2 3.99Å; C516-Y527 HydrophobicContact CB-CE2 4.23Å; C516-Y527 WeakPolarHBondContact O-CE2 3.41Å; C516-I532 HydrophobicContact CB-CD1 3.77Å; C516-V535 HydrophobicContact CB-CG2 4.42Å
517	I	91	Very high	92.3	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-42.9	179.4	-63.5	-62.1	0	0	0	112.1	R207 S211 F513 I515 A521	R207-I517 HydrophobicContact CB-CG2 3.82Å; R207-I517 HydrophobicContact CG-CG2 3.99Å; S211-I517 WeakPolarHBondContact OG-CG2 3.3Å; F513-I517 HydrophobicContact CD1-CG1 4.27Å; F513-I517 HydrophobicContact CE1-CD1 4.46Å; F513-I517 HydrophobicContact CE1-CG1 3.81Å; F513-I517 HydrophobicContact CZ-CD1 4.1Å; F513-I517 HydrophobicContact CZ-CG1 3.95Å; F513-I517 WeakPolarHBondContact O-CG1 3.37Å; F513-I517 PolarHBondContact O-N 3.47Å; I515-I517 PolarHBondContact O-N 3.49Å; I517-A521 PolarHBondContact O-N 3.19Å
518	I	92.9	Very high	91.9	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.195	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-42.5	174.1	-71.6	-168.6	0	0	0	110.9	F216 F514 I515 C516 E520 A521 I522	F216-I518 HydrophobicContact CD2-CD1 3.53Å; F216-I518 HydrophobicContact CE2-CD1 3.16Å; F216-I518 HydrophobicContact CE2-CG1 3.98Å; F216-I518 HydrophobicContact CZ-CD1 3.96Å; F514-I518 WeakPolarHBondContact O-CG1 3.37Å; F514-I518 PolarHBondContact O-N 3Å; F514-I518 VanDerWaalsContact O-N 3.09Å; I515-I518 PolarHBondContact O-N 3.46Å; C516-I518 PolarHBondContact O-N 3.25Å; I518-E520 PolarHBondContact O-N 2.94Å; I518-A521 CarbonylContact O-C 3.59Å; I518-A521 WeakPolarHBondContact O-CB 3.43Å; I518-A521 PolarHBondContact O-N 3.32Å; I518-A521 VanDerWaalsContact O-N 3.1Å; I518-I522 HydrophobicContact CG2-CD1 3.49Å; I518-I522 VanDerWaalsContact CG2-CD1 3.49Å; I518-I522 HydrophobicContact CG2-CG1 4.08Å; I518-I522 WeakPolarHBondContact O-CG1 3.48Å; I518-I522 PolarHBondContact O-N 3.48Å
519	G	93.2	Very high	91.3	Very high	14 Å²	14	46 Å²	46	14%	0.144	24%	0.244	C	C	.	.	H	α-helix	trans	-55.3	-53.1	177.8	0	0	0	0	0	111.4	I515 C516 A521 I522 C523	I515-G519 PolarHBondContact O-N 3.5Å; C516-G519 PolarHBondContact O-N 3.33Å; G519-A521 PolarHBondContact O-N 3.05Å; G519-I522 PolarHBondContact O-N 3.01Å; G519-I522 VanDerWaalsContact O-N 3.08Å; G519-C523 PolarHBondContact O-N 3.42Å; G519-C523 PolarHBondContact O-SG 3.28Å
520	E	90.6	Very high	90.7	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-35.1	175.9	-69	-172.2	155.8	0	0	112.7	R207 C516 I518 C523 D524 C525 Y527	R207-E520 IonicContact CZ-OE2 3.21Å; R207-E520 IonicContact NH1-OE2 2.61Å; R207-E520 PolarHBondContact NH1-OE2 2.83Å; R207-E520 IonicContact NH2-OE2 3.1Å; R207-E520 PolarHBondContact NH2-OE2 3.05Å; R207-E520 VanDerWaalsContact NH2-OE2 3.1Å; C516-E520 WeakPolarHBondContact O-CG 2.98Å; C516-E520 PolarHBondContact O-N 3.22Å; I518-E520 PolarHBondContact O-N 2.94Å; E520-C523 VanDerWaalsContact CA-SG 3.55Å; E520-D524 WeakPolarHBondContact O-CA 3.47Å; E520-D524 PolarHBondContact O-N 2.92Å; E520-C525 WeakPolarHBondContact CA-O 3.34Å; E520-C525 VanDerWaalsContact CB-O 3.28Å; E520-C525 WeakPolarHBondContact CB-O 3.4Å; E520-C525 PolarHBondContact O-N 2.87Å; E520-Y527 HydrophobicContact CG-CD2 3.53Å; E520-Y527 HydrophobicContact CG-CE2 3.93Å; E520-Y527 HydrophobicContact CG-CG 3.86Å; E520-Y527 WeakPolarHBondContact OE1-CB 3.4Å; E520-Y527 PolarHBondContact OE1-N 3.24Å
521	A	90.3	Very high	90.4	Very high	2 Å²	2	51 Å²	51	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-74.3	-32.9	176.5	0	0	0	0	0	113.3	K204 R207 I208 I517 I518 G519	K204-A521 WeakPolarHBondContact CE-O 3.46Å; K204-A521 HydrophobicContact CG-CB 4.31Å; K204-A521 WeakPolarHBondContact CG-O 3.24Å; K204-A521 PolarHBondContact NZ-O 3.28Å; R207-A521 HydrophobicContact CB-CB 3.86Å; I208-A521 HydrophobicContact CD1-CB 4.48Å; I208-A521 HydrophobicContact CG1-CB 3.93Å; I517-A521 PolarHBondContact O-N 3.19Å; I518-A521 CarbonylContact O-C 3.59Å; I518-A521 WeakPolarHBondContact O-CB 3.43Å; I518-A521 PolarHBondContact O-N 3.32Å; I518-A521 VanDerWaalsContact O-N 3.1Å; G519-A521 PolarHBondContact O-N 3.05Å
522	I	92	Very high	90.1	Very high	118 Å²	118	48.6 Å²	48.6	61%	0.605	26%	0.261	S	S	*	.	H	α-helix	trans	-76.6	-45.9	179.7	-68.6	171.9	0	0	0	110.6	I518 G519 D524	I518-I522 HydrophobicContact CG2-CD1 3.49Å; I518-I522 VanDerWaalsContact CG2-CD1 3.49Å; I518-I522 HydrophobicContact CG2-CG1 4.08Å; I518-I522 WeakPolarHBondContact O-CG1 3.48Å; I518-I522 PolarHBondContact O-N 3.48Å; G519-I522 PolarHBondContact O-N 3.01Å; G519-I522 VanDerWaalsContact O-N 3.08Å; I522-D524 VanDerWaalsContact C-N 3.3Å; I522-D524 PolarHBondContact O-N 3.36Å
523	C	92.1	Very high	89.8	Confident	62 Å²	62	48.2 Å²	48.2	42%	0.419	26%	0.258	S	S	.	.	H	α-helix	trans	-79.7	-8.7	-178.3	62.4	0	0	0	0	114.1	G519 E520 C525	G519-C523 PolarHBondContact O-N 3.42Å; G519-C523 PolarHBondContact O-SG 3.28Å; E520-C523 VanDerWaalsContact CA-SG 3.55Å; C523-C525 HydrophobicContact CB-CB 3.89Å; C523-C525 WeakPolarHBondContact CB-SG 3.28Å; C523-C525 PolarHBondContact O-N 2.94Å; C523-C525 VanDerWaalsContact SG-CA 3.58Å; C523-C525 WeakPolarHBondContact SG-CB 3.47Å; C523-C525 PolarHBondContact SG-N 3.32Å; C523-C525 CovalentContact SG-SG 2.03Å; C523-C525 PolarHBondContact SG-SG 2.91Å
524	D	85.4	Confident	89.6	Confident	119 Å²	119	54.2 Å²	54.2	64%	0.636	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	40.9	-168	-61.7	-41.2	0	0	0	111.6	K204 E520 I522	K204-D524 VanDerWaalsContact NZ-CG 3.26Å; K204-D524 IonicContact NZ-OD1 2.89Å; K204-D524 PolarHBondContact NZ-OD1 2.64Å; K204-D524 IonicContact NZ-OD2 2.9Å; K204-D524 PolarHBondContact NZ-OD2 3.43Å; E520-D524 WeakPolarHBondContact O-CA 3.47Å; E520-D524 PolarHBondContact O-N 2.92Å; I522-D524 VanDerWaalsContact C-N 3.3Å; I522-D524 PolarHBondContact O-N 3.36Å
525	C	87.4	Confident	89.6	Confident	49 Å²	49	53.9 Å²	53.9	33%	0.331	28%	0.284	S	S	.	.			trans	-125.9	165.1	-174.6	76.2	0	0	0	0	111.1	E520 C523	E520-C525 WeakPolarHBondContact CA-O 3.34Å; E520-C525 VanDerWaalsContact CB-O 3.28Å; E520-C525 WeakPolarHBondContact CB-O 3.4Å; E520-C525 PolarHBondContact O-N 2.87Å; C523-C525 HydrophobicContact CB-CB 3.89Å; C523-C525 WeakPolarHBondContact CB-SG 3.28Å; C523-C525 PolarHBondContact O-N 2.94Å; C523-C525 VanDerWaalsContact SG-CA 3.58Å; C523-C525 WeakPolarHBondContact SG-CB 3.47Å; C523-C525 PolarHBondContact SG-N 3.32Å; C523-C525 CovalentContact SG-SG 2.03Å; C523-C525 PolarHBondContact SG-SG 2.91Å
526	Q	85	Confident	89.6	Confident	124 Å²	124	51 Å²	51	58%	0.579	27%	0.271	S	S	*	.			trans	-114.1	121.2	177.1	-61.4	-177.1	-0.8	0	0	108.3	Y202	Y202-Q526 HydrophobicContact CD1-CG 4.01Å; Y202-Q526 VanDerWaalsContact CE1-CD 3.48Å; Y202-Q526 HydrophobicContact CE1-CG 3.67Å; Y202-Q526 VanDerWaalsContact CE1-NE2 3.28Å; Y202-Q526 VanDerWaalsContact CZ-NE2 3.31Å
527	Y	87.7	Confident	89.6	Confident	86 Å²	86	51.8 Å²	51.8	34%	0.337	27%	0.272	S	S	.	.			trans	-73	157.2	169.4	-64.1	-32.6	0	0	0	109.8	C516 E520 N529 I532	C516-Y527 HydrophobicContact CB-CD2 3.99Å; C516-Y527 HydrophobicContact CB-CE2 4.23Å; C516-Y527 WeakPolarHBondContact O-CE2 3.41Å; E520-Y527 HydrophobicContact CG-CD2 3.53Å; E520-Y527 HydrophobicContact CG-CE2 3.93Å; E520-Y527 HydrophobicContact CG-CG 3.86Å; E520-Y527 WeakPolarHBondContact OE1-CB 3.4Å; E520-Y527 PolarHBondContact OE1-N 3.24Å; Y527-N529 PolarHBondContact O-N 3.12Å; Y527-I532 HydrophobicContact CD2-CD1 4.48Å
528	S	86	Confident	89.8	Confident	15 Å²	15	53.6 Å²	53.6	11%	0.105	28%	0.282	C	S	.	.			trans	-47.1	133.6	173	166.8	0	0	0	0	111.6	D34 T530 I531 I532	D34-S528 WeakPolarHBondContact OD1-CB 3.36Å; D34-S528 PolarHBondContact OD1-OG 3.01Å; D34-S528 WeakPolarHBondContact OD2-CA 3.42Å; D34-S528 WeakPolarHBondContact OD2-CB 3.05Å; D34-S528 PolarHBondContact OD2-OG 3Å; S528-T530 PolarHBondContact O-N 2.97Å; S528-T530 VanDerWaalsContact O-N 3.12Å; S528-T530 VanDerWaalsContact OG-CB 3.24Å; S528-T530 WeakPolarHBondContact OG-CB 3.5Å; S528-T530 PolarHBondContact OG-N 2.8Å; S528-T530 PolarHBondContact OG-OG1 3.26Å; S528-I531 WeakPolarHBondContact O-CB 3.36Å; S528-I531 PolarHBondContact O-N 3.13Å; S528-I531 PolarHBondContact OG-N 2.03Å; S528-I532 PolarHBondContact O-N 2.75Å
529	N	82	Confident	89.8	Confident	54 Å²	54	51.8 Å²	51.8	29%	0.289	27%	0.272	S	S	.	.	H	α-helix	trans	-55.2	-29.8	170.3	-84.9	-57.3	0	0	0	111.9	K38 H199 Y527 T533	K38-N529 VanDerWaalsContact CE-CB 3.47Å; K38-N529 PolarHBondContact NZ-ND2 2.89Å; H199-N529 PolarHBondContact CE1-OD1 3.26Å; H199-N529 VanDerWaalsContact CE1-OD1 3.28Å; Y527-N529 PolarHBondContact O-N 3.12Å; N529-T533 WeakPolarHBondContact O-CB 3.49Å; N529-T533 PolarHBondContact O-N 2.83Å; N529-T533 PolarHBondContact O-OG1 2.9Å
530	T	84.2	Confident	89.9	Confident	42 Å²	42	51.8 Å²	51.8	26%	0.258	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-44.9	176.1	-50.9	0	0	0	0	110.6	I37 S528 T533 F534	I37-T530 HydrophobicContact CG2-CG2 4.22Å; S528-T530 PolarHBondContact O-N 2.97Å; S528-T530 VanDerWaalsContact O-N 3.12Å; S528-T530 VanDerWaalsContact OG-CB 3.24Å; S528-T530 WeakPolarHBondContact OG-CB 3.5Å; S528-T530 PolarHBondContact OG-N 2.8Å; S528-T530 PolarHBondContact OG-OG1 3.26Å; T530-T533 PolarHBondContact O-N 3.39Å; T530-F534 WeakPolarHBondContact O-CB 3.3Å; T530-F534 PolarHBondContact O-N 3.22Å
531	I	89.7	Confident	90	Very high	84 Å²	84	54.4 Å²	54.4	43%	0.431	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-52.4	176.6	-65.8	172.6	0	0	0	110	S528 T533 F534 V535	S528-I531 WeakPolarHBondContact O-CB 3.36Å; S528-I531 PolarHBondContact O-N 3.13Å; S528-I531 PolarHBondContact OG-N 2.03Å; I531-T533 VanDerWaalsContact C-N 3.28Å; I531-T533 PolarHBondContact O-N 3.47Å; I531-F534 WeakPolarHBondContact O-CB 3.46Å; I531-F534 PolarHBondContact O-N 3.41Å; I531-F534 VanDerWaalsContact O-N 3.13Å; I531-V535 WeakPolarHBondContact O-CG2 3.47Å; I531-V535 PolarHBondContact O-N 3.35Å
532	I	89.2	Confident	90.2	Very high	23 Å²	23	54.4 Å²	54.4	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-41.2	-179.9	-63.6	-59.5	0	0	0	111.2	C516 Y527 S528 V535 S536	C516-I532 HydrophobicContact CB-CD1 3.77Å; Y527-I532 HydrophobicContact CD2-CD1 4.48Å; S528-I532 PolarHBondContact O-N 2.75Å; I532-V535 WeakPolarHBondContact O-CG2 3.37Å; I532-S536 VanDerWaalsContact O-CB 3.3Å; I532-S536 WeakPolarHBondContact O-CB 3.24Å; I532-S536 PolarHBondContact O-N 2.8Å; I532-S536 PolarHBondContact O-OG 2.98Å
533	T	88.7	Confident	90.2	Very high	32 Å²	32	49 Å²	49	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-44	176.9	-61.4	0	0	0	0	111.5	N529 T530 I531 S536 W537	N529-T533 WeakPolarHBondContact O-CB 3.49Å; N529-T533 PolarHBondContact O-N 2.83Å; N529-T533 PolarHBondContact O-OG1 2.9Å; T530-T533 PolarHBondContact O-N 3.39Å; I531-T533 VanDerWaalsContact C-N 3.28Å; I531-T533 PolarHBondContact O-N 3.47Å; T533-S536 WeakPolarHBondContact O-CB 3.5Å; T533-S536 PolarHBondContact O-N 2.79Å; T533-W537 PolarHBondContact O-N 2.83Å
534	F	91.7	Very high	90.3	Very high	143 Å²	143	47.3 Å²	47.3	63%	0.627	24%	0.238	S	C	*	.	H	α-helix	trans	-60.9	-50.2	177.7	177.1	-97	0	0	0	112.2	T530 I531 S536 W537 L538	T530-F534 WeakPolarHBondContact O-CB 3.3Å; T530-F534 PolarHBondContact O-N 3.22Å; I531-F534 WeakPolarHBondContact O-CB 3.46Å; I531-F534 PolarHBondContact O-N 3.41Å; I531-F534 VanDerWaalsContact O-N 3.13Å; F534-S536 VanDerWaalsContact C-N 3.27Å; F534-S536 PolarHBondContact O-N 2.93Å; F534-W537 PolarHBondContact O-N 3.36Å; F534-L538 PolarHBondContact O-N 3.43Å
535	V	94.5	Very high	90.7	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-28	178.8	-60.7	0	0	0	0	112.3	P512 F513 C516 I531 I532 G539	P512-V535 HydrophobicContact CB-CB 4.24Å; P512-V535 HydrophobicContact CB-CG1 3.83Å; F513-V535 HydrophobicContact CB-CB 4.23Å; F513-V535 HydrophobicContact CB-CG2 4.13Å; F513-V535 HydrophobicContact CD2-CG2 3.98Å; C516-V535 HydrophobicContact CB-CG2 4.42Å; I531-V535 WeakPolarHBondContact O-CG2 3.47Å; I531-V535 PolarHBondContact O-N 3.35Å; I532-V535 WeakPolarHBondContact O-CG2 3.37Å; V535-G539 PolarHBondContact O-N 3.33Å; V535-G539 VanDerWaalsContact O-N 3.11Å
536	S	93.2	Very high	90.9	Very high	20 Å²	20	41.5 Å²	41.5	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-47.5	172.2	-59.2	0	0	0	0	111.6	F513 I532 T533 F534 L538 G539 Y540	F513-S536 WeakPolarHBondContact CE2-OG 3.49Å; I532-S536 VanDerWaalsContact O-CB 3.3Å; I532-S536 WeakPolarHBondContact O-CB 3.24Å; I532-S536 PolarHBondContact O-N 2.8Å; I532-S536 PolarHBondContact O-OG 2.98Å; T533-S536 WeakPolarHBondContact O-CB 3.5Å; T533-S536 PolarHBondContact O-N 2.79Å; F534-S536 VanDerWaalsContact C-N 3.27Å; F534-S536 PolarHBondContact O-N 2.93Å; S536-L538 VanDerWaalsContact C-N 3.32Å; S536-L538 PolarHBondContact O-N 3.48Å; S536-G539 PolarHBondContact O-N 2.94Å; S536-G539 VanDerWaalsContact O-N 3.15Å; S536-Y540 WeakPolarHBondContact O-CD2 3.49Å; S536-Y540 PolarHBondContact O-N 2.51Å; S536-Y540 VanDerWaalsContact O-N 3.09Å
537	W	94.3	Very high	91.2	Very high	31 Å²	31	36.1 Å²	36.1	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-40.2	175.4	-78.8	113.4	0	0	0	111.8	L55 L102 A105 I106 Q109 T533 F534 G539 Y540 F541	L55-W537 HydrophobicContact CB-CH2 4.36Å; L55-W537 HydrophobicContact CD1-CD2 4.39Å; L55-W537 HydrophobicContact CD1-CH2 3.73Å; L55-W537 HydrophobicContact CD1-CZ2 3.44Å; L55-W537 VanDerWaalsContact CD1-CZ2 3.44Å; L55-W537 HydrophobicContact CD1-CZ3 4.29Å; L55-W537 HydrophobicContact CD2-CD2 3.73Å; L55-W537 HydrophobicContact CD2-CE3 3.4Å; L55-W537 VanDerWaalsContact CD2-CE3 3.4Å; L55-W537 HydrophobicContact CD2-CH2 3.82Å; L55-W537 HydrophobicContact CD2-CZ2 4.08Å; L55-W537 HydrophobicContact CD2-CZ3 3.47Å; L55-W537 VanDerWaalsContact CD2-CZ3 3.47Å; L55-W537 HydrophobicContact CG-CH2 4.17Å; L55-W537 HydrophobicContact CG-CZ2 4.3Å; L55-W537 HydrophobicContact CG-CZ3 4.29Å; L102-W537 HydrophobicContact CD2-CZ3 4.17Å; A105-W537 HydrophobicContact CB-CH2 3.98Å; A105-W537 HydrophobicContact CB-CZ2 4.1Å; I106-W537 HydrophobicContact CG1-CH2 3.76Å; I106-W537 HydrophobicContact CG1-CZ2 4.45Å; Q109-W537 HydrophobicContact CB-CZ2 4.12Å; Q109-W537 HydrophobicContact CG-CZ2 4.44Å; T533-W537 PolarHBondContact O-N 2.83Å; F534-W537 PolarHBondContact O-N 3.36Å; W537-G539 VanDerWaalsContact C-N 3.26Å; W537-G539 PolarHBondContact O-N 3.38Å; W537-Y540 HydrophobicContact CD2-CD2 4.07Å; W537-Y540 AromaticContact CE3-CD2 3.61Å; W537-Y540 HydrophobicContact CE3-CD2 3.61Å; W537-Y540 HydrophobicContact CE3-CE2 4.5Å; W537-Y540 HydrophobicContact CE3-CG 4.44Å; W537-Y540 AromaticContact CZ3-CD2 3.9Å; W537-Y540 HydrophobicContact CZ3-CD2 3.9Å; W537-Y540 WeakPolarHBondContact O-CB 3.48Å; W537-Y540 PolarHBondContact O-N 3.34Å; W537-F541 WeakPolarHBondContact O-CD2 3.4Å; W537-F541 PolarHBondContact O-N 3.25Å
538	L	94.8	Very high	91.5	Very high	49 Å²	49	36.5 Å²	36.5	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-55.1	-41.7	173	-172.7	62.6	0	0	0	112.2	C509 P512 F534 S536 F541	C509-L538 VanDerWaalsContact CB-O 3.24Å; C509-L538 WeakPolarHBondContact CB-O 3.15Å; C509-L538 CarbonylContact O-C 3.58Å; C509-L538 PolarHBondContact SG-O 2.96Å; C509-L538 VanDerWaalsContact SG-O 3.42Å; P512-L538 HydrophobicContact CB-CD2 4.36Å; P512-L538 HydrophobicContact CG-CD2 3.83Å; F534-L538 PolarHBondContact O-N 3.43Å; S536-L538 VanDerWaalsContact C-N 3.32Å; S536-L538 PolarHBondContact O-N 3.48Å; L538-F541 WeakPolarHBondContact O-CB 3.08Å; L538-F541 PolarHBondContact O-N 3.25Å
539	G	94.5	Very high	91.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-46.6	171.7	0	0	0	0	0	112.8	C509 W510 V535 S536 W537 F541 N542	C509-G539 WeakPolarHBondContact O-CA 3.37Å; C509-G539 PolarHBondContact O-N 3.49Å; W510-G539 PolarHBondContact NE1-O 2.9Å; V535-G539 PolarHBondContact O-N 3.33Å; V535-G539 VanDerWaalsContact O-N 3.11Å; S536-G539 PolarHBondContact O-N 2.94Å; S536-G539 VanDerWaalsContact O-N 3.15Å; W537-G539 VanDerWaalsContact C-N 3.26Å; W537-G539 PolarHBondContact O-N 3.38Å; G539-F541 VanDerWaalsContact C-N 3.29Å; G539-F541 PolarHBondContact O-N 3.1Å; G539-N542 WeakPolarHBondContact O-CB 3.14Å; G539-N542 PolarHBondContact O-N 3.26Å; G539-N542 VanDerWaalsContact O-N 3.17Å
540	Y	94.5	Very high	92.3	Very high	14 Å²	14	34.3 Å²	34.3	6%	0.055	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-30	178.6	-61.5	-36.2	0	0	0	114	V97 V101 L102 A105 N129 W510 S536 W537 N542 S543	V97-Y540 HydrophobicContact CG1-CD1 4.39Å; V101-Y540 HydrophobicContact CG1-CE1 3.72Å; L102-Y540 HydrophobicContact CD2-CD1 3.96Å; L102-Y540 HydrophobicContact CD2-CD2 3.81Å; L102-Y540 HydrophobicContact CD2-CE2 4.4Å; L102-Y540 HydrophobicContact CD2-CG 3.58Å; A105-Y540 HydrophobicContact CB-CE2 4.22Å; N129-Y540 PolarHBondContact ND2-OH 2.82Å; N129-Y540 VanDerWaalsContact ND2-OH 3.17Å; N129-Y540 WeakPolarHBondContact OD1-CE1 3.4Å; W510-Y540 HydrophobicContact CH2-CE1 4.34Å; S536-Y540 WeakPolarHBondContact O-CD2 3.49Å; S536-Y540 PolarHBondContact O-N 2.51Å; S536-Y540 VanDerWaalsContact O-N 3.09Å; W537-Y540 HydrophobicContact CD2-CD2 4.07Å; W537-Y540 AromaticContact CE3-CD2 3.61Å; W537-Y540 HydrophobicContact CE3-CD2 3.61Å; W537-Y540 HydrophobicContact CE3-CE2 4.5Å; W537-Y540 HydrophobicContact CE3-CG 4.44Å; W537-Y540 AromaticContact CZ3-CD2 3.9Å; W537-Y540 HydrophobicContact CZ3-CD2 3.9Å; W537-Y540 WeakPolarHBondContact O-CB 3.48Å; W537-Y540 PolarHBondContact O-N 3.34Å; Y540-N542 PolarHBondContact O-N 3.49Å; Y540-S543 PolarHBondContact O-N 2.84Å
541	F	92.8	Very high	92.7	Very high	65 Å²	65	33.8 Å²	33.8	29%	0.285	17%	0.173	S	C	.	.	H	α-helix	trans	-60.3	-24.4	175.2	-82	-76.5	0	0	0	113.8	F54 W537 L538 G539 S543 I544 C545	F54-F541 AromaticContact CE1-CE1 3.68Å; F54-F541 HydrophobicContact CE1-CE1 3.68Å; F54-F541 HydrophobicContact CE1-CE2 4.42Å; F54-F541 AromaticContact CE1-CZ 3.29Å; F54-F541 HydrophobicContact CE1-CZ 3.29Å; F54-F541 AromaticContact CZ-CE1 3.41Å; F54-F541 HydrophobicContact CZ-CE1 3.41Å; F54-F541 VanDerWaalsContact CZ-CE1 3.41Å; F54-F541 AromaticContact CZ-CZ 3.36Å; F54-F541 HydrophobicContact CZ-CZ 3.36Å; W537-F541 WeakPolarHBondContact O-CD2 3.4Å; W537-F541 PolarHBondContact O-N 3.25Å; L538-F541 WeakPolarHBondContact O-CB 3.08Å; L538-F541 PolarHBondContact O-N 3.25Å; G539-F541 VanDerWaalsContact C-N 3.29Å; G539-F541 PolarHBondContact O-N 3.1Å; F541-S543 PolarHBondContact O-N 3.41Å; F541-I544 HydrophobicContact CD1-CD1 3.69Å; F541-I544 HydrophobicContact CE1-CD1 4.21Å; F541-I544 WeakPolarHBondContact O-CB 2.92Å; F541-I544 PolarHBondContact O-N 3.47Å; F541-C545 PolarHBondContact O-N 3.42Å
542	N	93.6	Very high	92.8	Very high	2 Å²	2	37 Å²	37	1%	0.011	18%	0.184	C	C	.	.	H	α-helix	trans	-51.8	-44	175.6	172	69.4	0	0	0	112.2	F506 C509 G539 Y540 I544 C545	F506-N542 WeakPolarHBondContact CA-OD1 3.24Å; F506-N542 WeakPolarHBondContact CB-OD1 3.28Å; F506-N542 WeakPolarHBondContact CD2-ND2 3.35Å; F506-N542 PolarHBondContact N-OD1 3.38Å; C509-N542 HydrophobicContact CB-CB 3.81Å; G539-N542 WeakPolarHBondContact O-CB 3.14Å; G539-N542 PolarHBondContact O-N 3.26Å; G539-N542 VanDerWaalsContact O-N 3.17Å; Y540-N542 PolarHBondContact O-N 3.49Å; N542-I544 PolarHBondContact O-N 2.83Å; N542-C545 PolarHBondContact O-N 3.49Å; N542-C545 VanDerWaalsContact O-N 3.17Å
543	S	94	Very high	92.7	Very high	5 Å²	5	41 Å²	41	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-20.1	-176.6	-58.5	0	0	0	0	113.3	N66 D94 Y540 F541	N66-S543 PolarHBondContact ND2-O 3.46Å; N66-S543 VanDerWaalsContact ND2-O 3.08Å; D94-S543 WeakPolarHBondContact OD1-CB 3.39Å; D94-S543 PolarHBondContact OD1-OG 2.91Å; Y540-S543 PolarHBondContact O-N 2.84Å; F541-S543 PolarHBondContact O-N 3.41Å
544	I	93.7	Very high	92.7	Very high	26 Å²	26	40.2 Å²	40.2	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-78.6	-37.9	175.5	-63.1	166.2	0	0	0	110.7	A58 T61 T62 F541 N542 N546 P547 F548	A58-I544 HydrophobicContact CB-CD1 3.58Å; T61-I544 HydrophobicContact CG2-CG2 4.09Å; T62-I544 WeakPolarHBondContact OG1-CG1 3.39Å; F541-I544 HydrophobicContact CD1-CD1 3.69Å; F541-I544 HydrophobicContact CE1-CD1 4.21Å; F541-I544 WeakPolarHBondContact O-CB 2.92Å; F541-I544 PolarHBondContact O-N 3.47Å; N542-I544 PolarHBondContact O-N 2.83Å; I544-N546 VanDerWaalsContact C-N 3.29Å; I544-N546 PolarHBondContact O-N 2.87Å; I544-P547 WeakPolarHBondContact O-CD 3.2Å; I544-F548 HydrophobicContact CG2-CD2 4.34Å; I544-F548 HydrophobicContact CG2-CE2 3.83Å; I544-F548 WeakPolarHBondContact O-CD2 3.28Å
545	C	93.6	Very high	92.6	Very high	43 Å²	43	39.2 Å²	39.2	29%	0.291	19%	0.19	S	C	.	.	H	α-helix	trans	-66.1	-30.5	-174.5	-66.1	0	0	0	0	113.2	C505 F541 N542 F548 I549	C505-C545 WeakPolarHBondContact SG-CB 3.49Å; F541-C545 PolarHBondContact O-N 3.42Å; N542-C545 PolarHBondContact O-N 3.49Å; N542-C545 VanDerWaalsContact O-N 3.17Å; C545-F548 PolarHBondContact O-N 3.38Å; C545-I549 HydrophobicContact CB-CD1 4.33Å; C545-I549 WeakPolarHBondContact O-CG1 3.31Å; C545-I549 PolarHBondContact O-N 3Å
546	N	91	Very high	92.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-55.1	-173.2	-74	-13.1	0	0	0	113.8	D94 I544 F548 I549 Y550	D94-N546 PolarHBondContact OD2-ND2 2.93Å; I544-N546 VanDerWaalsContact C-N 3.29Å; I544-N546 PolarHBondContact O-N 2.87Å; N546-F548 VanDerWaalsContact C-N 3.27Å; N546-F548 PolarHBondContact O-N 3.48Å; N546-I549 PolarHBondContact O-N 3.43Å; N546-I549 VanDerWaalsContact O-N 3.17Å; N546-Y550 HydrophobicContact CB-CE2 4.25Å; N546-Y550 WeakPolarHBondContact O-CD2 2.96Å; N546-Y550 PolarHBondContact O-N 2.75Å; N546-Y550 VanDerWaalsContact O-N 3.11Å
547	P	92.5	Very high	92.2	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.071	19%	0.192	C	C	.	.	H	α-helix	trans	-52.2	-41.7	174.4	-28.7	33.7	0	0	0	114.2	I69 I544 Y550 A551	I69-P547 HydrophobicContact CD1-CG 4.12Å; I544-P547 WeakPolarHBondContact O-CD 3.2Å; P547-Y550 PolarHBondContact O-N 3.13Å; P547-A551 VanDerWaalsContact O-CB 3.25Å; P547-A551 WeakPolarHBondContact O-CB 3.08Å; P547-A551 PolarHBondContact O-N 3.27Å
548	F	93.3	Very high	92.1	Very high	95 Å²	95	40.7 Å²	40.7	42%	0.417	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-43.6	178.9	-66.3	-73.1	0	0	0	111.8	T61 I544 C545 N546 Y550 A551 F552	T61-F548 HydrophobicContact CG2-CE2 3.82Å; T61-F548 HydrophobicContact CG2-CZ 3.93Å; I544-F548 HydrophobicContact CG2-CD2 4.34Å; I544-F548 HydrophobicContact CG2-CE2 3.83Å; I544-F548 WeakPolarHBondContact O-CD2 3.28Å; C545-F548 PolarHBondContact O-N 3.38Å; N546-F548 VanDerWaalsContact C-N 3.27Å; N546-F548 PolarHBondContact O-N 3.48Å; F548-Y550 VanDerWaalsContact C-N 3.29Å; F548-Y550 PolarHBondContact O-N 2.63Å; F548-A551 PolarHBondContact O-N 2.78Å; F548-F552 HydrophobicContact CB-CD2 4.17Å; F548-F552 HydrophobicContact CB-CE2 4.16Å; F548-F552 AromaticContact CD1-CE2 3.9Å; F548-F552 HydrophobicContact CD1-CE2 3.9Å; F548-F552 HydrophobicContact CG-CE2 4.5Å; F548-F552 WeakPolarHBondContact O-CD2 3.09Å; F548-F552 PolarHBondContact O-N 3.04Å
549	I	93.2	Very high	92	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-57	-46.3	176.7	-67.4	167.1	0	0	0	110.1	I498 V502 C505 C545 N546 F553	I498-I549 HydrophobicContact CG2-CG2 3.85Å; V502-I549 HydrophobicContact CG2-CB 4.43Å; V502-I549 HydrophobicContact CG2-CD1 4.06Å; V502-I549 HydrophobicContact CG2-CG2 3.74Å; C505-I549 HydrophobicContact CB-CD1 4.37Å; C545-I549 HydrophobicContact CB-CD1 4.33Å; C545-I549 WeakPolarHBondContact O-CG1 3.31Å; C545-I549 PolarHBondContact O-N 3Å; N546-I549 PolarHBondContact O-N 3.43Å; N546-I549 VanDerWaalsContact O-N 3.17Å; I549-F553 HydrophobicContact CG2-CD2 4.07Å; I549-F553 WeakPolarHBondContact O-CB 3.43Å; I549-F553 VanDerWaalsContact O-CD2 3.29Å; I549-F553 WeakPolarHBondContact O-CD2 3.24Å; I549-F553 PolarHBondContact O-N 3.03Å
550	Y	92.1	Very high	91.8	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-38.9	179.2	-60.6	-57.4	0	0	0	113	I69 I87 L499 V502 N546 P547 F548 F552 K554	I69-Y550 HydrophobicContact CD1-CD2 3.65Å; I69-Y550 HydrophobicContact CD1-CE2 4.03Å; I69-Y550 HydrophobicContact CG1-CD2 4.31Å; I87-Y550 HydrophobicContact CD1-CD1 4.43Å; I87-Y550 HydrophobicContact CD1-CE1 3.8Å; I87-Y550 HydrophobicContact CG1-CE1 4.11Å; I87-Y550 HydrophobicContact CG2-CD1 4.46Å; I87-Y550 HydrophobicContact CG2-CD2 4.22Å; I87-Y550 HydrophobicContact CG2-CE1 3.93Å; I87-Y550 HydrophobicContact CG2-CE2 3.66Å; I87-Y550 VanDerWaalsContact CG2-CZ 3.5Å; L499-Y550 HydrophobicContact CD2-CE1 4.34Å; V502-Y550 HydrophobicContact CG2-CE1 4.29Å; N546-Y550 HydrophobicContact CB-CE2 4.25Å; N546-Y550 WeakPolarHBondContact O-CD2 2.96Å; N546-Y550 PolarHBondContact O-N 2.75Å; N546-Y550 VanDerWaalsContact O-N 3.11Å; P547-Y550 PolarHBondContact O-N 3.13Å; F548-Y550 VanDerWaalsContact C-N 3.29Å; F548-Y550 PolarHBondContact O-N 2.63Å; Y550-F552 PolarHBondContact O-N 2.79Å; Y550-K554 WeakPolarHBondContact O-CA 3.34Å; Y550-K554 WeakPolarHBondContact O-CB 3.37Å; Y550-K554 PolarHBondContact O-N 3.23Å
551	A	91.7	Very high	91.7	Very high	32 Å²	32	45.6 Å²	45.6	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-41	177.7	0	0	0	0	0	112.6	P547 F548 A558 F561	P547-A551 VanDerWaalsContact O-CB 3.25Å; P547-A551 WeakPolarHBondContact O-CB 3.08Å; P547-A551 PolarHBondContact O-N 3.27Å; F548-A551 PolarHBondContact O-N 2.78Å; A551-A558 VanDerWaalsContact O-CB 3.26Å; A551-A558 WeakPolarHBondContact O-CB 3.31Å; A551-F561 HydrophobicContact CB-CD2 3.94Å; A551-F561 HydrophobicContact CB-CE2 3.91Å
552	F	91.2	Very high	91.7	Very high	152 Å²	152	48.7 Å²	48.7	67%	0.667	24%	0.235	S	C	*	.	H	α-helix	trans	-85.7	-39.1	-176.6	-71.1	-62.3	0	0	0	113.5	F548 Y550	F548-F552 HydrophobicContact CB-CD2 4.17Å; F548-F552 HydrophobicContact CB-CE2 4.16Å; F548-F552 AromaticContact CD1-CE2 3.9Å; F548-F552 HydrophobicContact CD1-CE2 3.9Å; F548-F552 HydrophobicContact CG-CE2 4.5Å; F548-F552 WeakPolarHBondContact O-CD2 3.09Å; F548-F552 PolarHBondContact O-N 3.04Å; Y550-F552 PolarHBondContact O-N 2.79Å
553	F	88.9	Confident	91.5	Very high	105 Å²	105	55.7 Å²	55.7	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-99.9	-20	-171.4	-60.7	-73.6	0	0	0	114.1	I277 I498 I549	I277-F553 HydrophobicContact CD1-CE1 4.06Å; I277-F553 HydrophobicContact CD1-CZ 4.44Å; I498-F553 HydrophobicContact CB-CB 4.45Å; I498-F553 HydrophobicContact CD1-CB 3.7Å; I498-F553 WeakPolarHBondContact CD1-O 3.11Å; I498-F553 HydrophobicContact CG1-CB 3.7Å; I498-F553 HydrophobicContact CG2-CB 3.96Å; I549-F553 HydrophobicContact CG2-CD2 4.07Å; I549-F553 WeakPolarHBondContact O-CB 3.43Å; I549-F553 VanDerWaalsContact O-CD2 3.29Å; I549-F553 WeakPolarHBondContact O-CD2 3.24Å; I549-F553 PolarHBondContact O-N 3.03Å
554	K	88.5	Confident	91.3	Very high	17 Å²	17	56.2 Å²	56.2	7%	0.074	27%	0.265	C	S	.	.			trans	-113.7	98	-177.9	-161.2	164.9	173.8	178.6	0	112	D84 Y550 E556 Y557 A558	D84-K554 IonicContact OD1-NZ 3.31Å; D84-K554 PolarHBondContact OD1-NZ 3.31Å; D84-K554 IonicContact OD2-NZ 3.82Å; Y550-K554 WeakPolarHBondContact O-CA 3.34Å; Y550-K554 WeakPolarHBondContact O-CB 3.37Å; Y550-K554 PolarHBondContact O-N 3.23Å; K554-E556 PolarHBondContact O-N 2.9Å; K554-E556 VanDerWaalsContact O-N 3.12Å; K554-Y557 HydrophobicContact CB-CD2 4.17Å; K554-Y557 HydrophobicContact CD-CD2 3.42Å; K554-Y557 VanDerWaalsContact CD-CD2 3.42Å; K554-Y557 HydrophobicContact CD-CE2 3.66Å; K554-Y557 HydrophobicContact CG-CD2 3.76Å; K554-Y557 HydrophobicContact CG-CE2 4.46Å; K554-Y557 PolarHBondContact O-N 3.37Å; K554-A558 PolarHBondContact O-N 2.81Å
555	K	88.9	Confident	91	Very high	121 Å²	121	59.1 Å²	59.1	53%	0.526	28%	0.279	S	S	.	.	H	α-helix	trans	-50.5	-40.2	-175.5	-71.2	-177.4	-179.6	177.2	0	113.4	D334 A558 K559	D334-K555 IonicContact OD2-NZ 2.6Å; K555-A558 PolarHBondContact O-N 3.44Å; K555-K559 WeakPolarHBondContact O-CG 3.12Å; K555-K559 PolarHBondContact O-N 3.41Å
556	E	88.6	Confident	90.5	Very high	55 Å²	55	61.2 Å²	61.2	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-67.8	-36.3	-178.7	-59.2	98.8	123.2	0	0	112.5	L79 R81 K554 S560	L79-E556 HydrophobicContact CD2-CB 3.62Å; R81-E556 IonicContact CZ-OE1 3.03Å; R81-E556 IonicContact NH1-OE1 3.21Å; R81-E556 PolarHBondContact NH1-OE1 2.94Å; R81-E556 IonicContact NH2-OE1 3.64Å; K554-E556 PolarHBondContact O-N 2.9Å; K554-E556 VanDerWaalsContact O-N 3.12Å; E556-S560 WeakPolarHBondContact O-CB 3.33Å; E556-S560 PolarHBondContact O-N 3.02Å; E556-S560 VanDerWaalsContact O-N 3.13Å; E556-S560 PolarHBondContact O-OG 3.47Å
557	Y	90.8	Very high	89.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-45.8	172.1	-83.5	-90.6	0	0	0	110.9	I69 A72 L79 D84 K554 K559 S560 F561	I69-Y557 HydrophobicContact CG2-CE1 3.89Å; A72-Y557 HydrophobicContact CB-CD1 4.11Å; A72-Y557 HydrophobicContact CB-CE1 4.28Å; L79-Y557 HydrophobicContact CD1-CD1 4.02Å; L79-Y557 HydrophobicContact CD1-CD2 4.33Å; L79-Y557 HydrophobicContact CD1-CE1 4.01Å; L79-Y557 HydrophobicContact CD1-CE2 4.34Å; L79-Y557 HydrophobicContact CD1-CG 4.2Å; L79-Y557 HydrophobicContact CD2-CD2 3.8Å; L79-Y557 HydrophobicContact CD2-CE2 3.67Å; L79-Y557 HydrophobicContact CD2-CG 4.44Å; D84-Y557 VanDerWaalsContact OD1-CE2 3.23Å; D84-Y557 WeakPolarHBondContact OD1-CE2 3.24Å; D84-Y557 PolarHBondContact OD1-OH 2.85Å; D84-Y557 VanDerWaalsContact OD1-OH 3.04Å; K554-Y557 HydrophobicContact CB-CD2 4.17Å; K554-Y557 HydrophobicContact CD-CD2 3.42Å; K554-Y557 VanDerWaalsContact CD-CD2 3.42Å; K554-Y557 HydrophobicContact CD-CE2 3.66Å; K554-Y557 HydrophobicContact CG-CD2 3.76Å; K554-Y557 HydrophobicContact CG-CE2 4.46Å; K554-Y557 PolarHBondContact O-N 3.37Å; Y557-K559 VanDerWaalsContact C-N 3.29Å; Y557-K559 PolarHBondContact O-N 3.25Å; Y557-S560 CarbonylContact O-C 3.52Å; Y557-S560 WeakPolarHBondContact O-CA 3.04Å; Y557-S560 WeakPolarHBondContact O-CB 3.44Å; Y557-S560 PolarHBondContact O-N 3.42Å; Y557-F561 AromaticContact CD1-CE1 3.78Å; Y557-F561 HydrophobicContact CD1-CE1 3.78Å; Y557-F561 AromaticContact CD1-CZ 3.73Å; Y557-F561 HydrophobicContact CD1-CZ 3.73Å; Y557-F561 HydrophobicContact CG-CZ 4.34Å; Y557-F561 VanDerWaalsContact O-CG 3.26Å; Y557-F561 WeakPolarHBondContact O-CG 3.21Å; Y557-F561 PolarHBondContact O-N 3.26Å
558	A	92.3	Very high	88.3	Confident	38 Å²	38	67 Å²	67	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-54	-44.8	177.2	0	0	0	0	0	112.6	A551 K554 K555 K562	A551-A558 VanDerWaalsContact O-CB 3.26Å; A551-A558 WeakPolarHBondContact O-CB 3.31Å; K554-A558 PolarHBondContact O-N 2.81Å; K555-A558 PolarHBondContact O-N 3.44Å; A558-K562 WeakPolarHBondContact O-CB 3.34Å; A558-K562 PolarHBondContact O-N 3.35Å
559	K	91.9	Very high	86.8	Confident	145 Å²	145	69.2 Å²	69.2	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-62.9	-42.9	174.9	-74.3	178.5	-179.2	-178.9	0	111.9	K555 Y557 K562 Y563	K555-K559 WeakPolarHBondContact O-CG 3.12Å; K555-K559 PolarHBondContact O-N 3.41Å; Y557-K559 VanDerWaalsContact C-N 3.29Å; Y557-K559 PolarHBondContact O-N 3.25Å; K559-K562 PolarHBondContact O-N 3.48Å; K559-Y563 PolarHBondContact O-N 2.88Å
560	S	91.2	Very high	85	Confident	3 Å²	3	77.4 Å²	77.4	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-43.2	-179.5	-52.8	0	0	0	0	111.8	N76 L79 E556 Y557 K562 Y563 I564	N76-S560 PolarHBondContact ND2-OG 3.09Å; L79-S560 VanDerWaalsContact CD1-OG 3.29Å; L79-S560 WeakPolarHBondContact CD1-OG 3.47Å; E556-S560 WeakPolarHBondContact O-CB 3.33Å; E556-S560 PolarHBondContact O-N 3.02Å; E556-S560 VanDerWaalsContact O-N 3.13Å; E556-S560 PolarHBondContact O-OG 3.47Å; Y557-S560 CarbonylContact O-C 3.52Å; Y557-S560 WeakPolarHBondContact O-CA 3.04Å; Y557-S560 WeakPolarHBondContact O-CB 3.44Å; Y557-S560 PolarHBondContact O-N 3.42Å; S560-K562 VanDerWaalsContact C-N 3.34Å; S560-K562 PolarHBondContact O-N 3.19Å; S560-Y563 PolarHBondContact O-N 3.08Å; S560-I564 WeakPolarHBondContact O-CG1 2.98Å; S560-I564 PolarHBondContact O-N 3Å
561	F	92.6	Very high	83.5	Confident	19 Å²	19	82.2 Å²	82.2	8%	0.083	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-45.5	174.8	-63.6	-14.5	0	0	0	111.2	L68 I69 A72 A551 Y557 Y563 I564 I565	L68-F561 HydrophobicContact CB-CD1 4.12Å; L68-F561 HydrophobicContact CB-CE1 4.02Å; L68-F561 WeakPolarHBondContact O-CE1 3.42Å; I69-F561 HydrophobicContact CG1-CE1 4.44Å; I69-F561 HydrophobicContact CG1-CZ 3.89Å; A72-F561 HydrophobicContact CB-CD1 3.99Å; A72-F561 HydrophobicContact CB-CE1 3.76Å; A551-F561 HydrophobicContact CB-CD2 3.94Å; A551-F561 HydrophobicContact CB-CE2 3.91Å; Y557-F561 AromaticContact CD1-CE1 3.78Å; Y557-F561 HydrophobicContact CD1-CE1 3.78Å; Y557-F561 AromaticContact CD1-CZ 3.73Å; Y557-F561 HydrophobicContact CD1-CZ 3.73Å; Y557-F561 HydrophobicContact CG-CZ 4.34Å; Y557-F561 VanDerWaalsContact O-CG 3.26Å; Y557-F561 WeakPolarHBondContact O-CG 3.21Å; Y557-F561 PolarHBondContact O-N 3.26Å; F561-Y563 VanDerWaalsContact C-N 3.33Å; F561-Y563 PolarHBondContact O-N 2.8Å; F561-I564 PolarHBondContact O-N 3.2Å; F561-I565 WeakPolarHBondContact O-CB 3.4Å; F561-I565 WeakPolarHBondContact O-CD1 3.35Å; F561-I565 VanDerWaalsContact O-CG1 3.23Å; F561-I565 WeakPolarHBondContact O-CG1 3.49Å; F561-I565 PolarHBondContact O-N 3.23Å
562	K	91.2	Very high	82.1	Confident	129 Å²	129	85.9 Å²	85.9	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-58.9	-44.6	175.2	-175.1	175.9	178.7	177.8	0	111.5	A558 K559 S560 Q566	A558-K562 WeakPolarHBondContact O-CB 3.34Å; A558-K562 PolarHBondContact O-N 3.35Å; K559-K562 PolarHBondContact O-N 3.48Å; S560-K562 VanDerWaalsContact C-N 3.34Å; S560-K562 PolarHBondContact O-N 3.19Å; K562-Q566 HydrophobicContact CG-CG 4.33Å; K562-Q566 WeakPolarHBondContact O-CB 3.26Å; K562-Q566 WeakPolarHBondContact O-CG 3.49Å; K562-Q566 PolarHBondContact O-N 2.84Å
563	Y	90.2	Very high	80.5	Confident	150 Å²	150	85.7 Å²	85.7	59%	0.588	40%	0.395	S	S	*	.	H	α-helix	trans	-62.3	-50.3	177.8	180	-101.4	0	0	0	111.9	K559 S560 F561 I565 Q566 V567	K559-Y563 PolarHBondContact O-N 2.88Å; S560-Y563 PolarHBondContact O-N 3.08Å; F561-Y563 VanDerWaalsContact C-N 3.33Å; F561-Y563 PolarHBondContact O-N 2.8Å; Y563-I565 PolarHBondContact O-N 3.46Å; Y563-Q566 PolarHBondContact O-N 2.81Å; Y563-V567 HydrophobicContact CD1-CG2 4.12Å; Y563-V567 HydrophobicContact CD2-CG2 3.98Å; Y563-V567 HydrophobicContact CE1-CG2 3.76Å; Y563-V567 HydrophobicContact CE2-CG2 3.6Å; Y563-V567 HydrophobicContact CG-CG2 4.22Å; Y563-V567 VanDerWaalsContact CZ-CG2 3.49Å; Y563-V567 VanDerWaalsContact O-CG2 3.31Å; Y563-V567 WeakPolarHBondContact O-CG2 3.34Å; Y563-V567 PolarHBondContact O-N 2.9Å
564	I	89.2	Confident	78.9	Confident	16 Å²	16	84.1 Å²	84.1	8%	0.082	40%	0.397	C	S	.	.	H	α-helix	trans	-60	-47.3	-179.5	-67.7	164.1	0	0	0	111.2	L68 L71 A72 S560 F561 Q566 N568	L68-I564 HydrophobicContact CD2-CG2 3.91Å; L71-I564 HydrophobicContact CB-CD1 4.02Å; A72-I564 HydrophobicContact CB-CD1 4.05Å; S560-I564 WeakPolarHBondContact O-CG1 2.98Å; S560-I564 PolarHBondContact O-N 3Å; F561-I564 PolarHBondContact O-N 3.2Å; I564-Q566 VanDerWaalsContact C-N 3.3Å; I564-Q566 PolarHBondContact O-N 3.17Å; I564-N568 PolarHBondContact O-N 3.4Å
565	I	87.5	Confident	77.4	Confident	86 Å²	86	92.4 Å²	92.4	44%	0.441	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-34.8	179.8	-64.9	167.2	0	0	0	111	L68 F561 Y563 K569	L68-I565 HydrophobicContact CD1-CD1 4.4Å; L68-I565 HydrophobicContact CD2-CG1 4.41Å; F561-I565 WeakPolarHBondContact O-CB 3.4Å; F561-I565 WeakPolarHBondContact O-CD1 3.35Å; F561-I565 VanDerWaalsContact O-CG1 3.23Å; F561-I565 WeakPolarHBondContact O-CG1 3.49Å; F561-I565 PolarHBondContact O-N 3.23Å; Y563-I565 PolarHBondContact O-N 3.46Å; I565-K569 PolarHBondContact O-N 3.25Å
566	Q	84.3	Confident	76.2	Confident	87 Å²	87	92.8 Å²	92.8	41%	0.407	44%	0.437	S	S	.	.	H	α-helix	trans	-76.1	-43	178.7	-75	-179.8	-24.1	0	0	113	K562 Y563 I564 N568 K569 W570	K562-Q566 HydrophobicContact CG-CG 4.33Å; K562-Q566 WeakPolarHBondContact O-CB 3.26Å; K562-Q566 WeakPolarHBondContact O-CG 3.49Å; K562-Q566 PolarHBondContact O-N 2.84Å; Y563-Q566 PolarHBondContact O-N 2.81Å; I564-Q566 VanDerWaalsContact C-N 3.3Å; I564-Q566 PolarHBondContact O-N 3.17Å; Q566-N568 PolarHBondContact O-N 3.34Å; Q566-K569 WeakPolarHBondContact O-CA 3.31Å; Q566-K569 WeakPolarHBondContact O-CB 3.29Å; Q566-K569 PolarHBondContact O-N 3.42Å; Q566-W570 PolarHBondContact O-N 3.43Å
567	V	74.3	Confident	74.8	Confident	43 Å²	43	98.5 Å²	98.5	26%	0.261	46%	0.463	S	S	.	.	H	α-helix	trans	-59	-40.5	178.6	169.8	0	0	0	0	110.6	Y563 K569 W570 N571	Y563-V567 HydrophobicContact CD1-CG2 4.12Å; Y563-V567 HydrophobicContact CD2-CG2 3.98Å; Y563-V567 HydrophobicContact CE1-CG2 3.76Å; Y563-V567 HydrophobicContact CE2-CG2 3.6Å; Y563-V567 HydrophobicContact CG-CG2 4.22Å; Y563-V567 VanDerWaalsContact CZ-CG2 3.49Å; Y563-V567 VanDerWaalsContact O-CG2 3.31Å; Y563-V567 WeakPolarHBondContact O-CG2 3.34Å; Y563-V567 PolarHBondContact O-N 2.9Å; V567-K569 VanDerWaalsContact C-N 3.25Å; V567-K569 PolarHBondContact O-N 2.91Å; V567-W570 PolarHBondContact O-N 3.26Å; V567-W570 VanDerWaalsContact O-N 3.08Å; V567-N571 PolarHBondContact O-N 3.3Å
568	N	61.8	Low	72.7	Confident	92 Å²	92	109.7 Å²	109.7	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-34	174.1	-71	-8.7	0	0	0	112.1	I564 Q566 I572	I564-N568 PolarHBondContact O-N 3.4Å; Q566-N568 PolarHBondContact O-N 3.34Å; N568-I572 WeakPolarHBondContact O-CB 3.36Å; N568-I572 VanDerWaalsContact O-CD1 3.29Å; N568-I572 WeakPolarHBondContact O-CD1 3.12Å; N568-I572 WeakPolarHBondContact O-CG1 3.14Å; N568-I572 PolarHBondContact O-N 3.38Å; N568-I572 VanDerWaalsContact O-N 3.17Å
569	K	62.7	Low	71.7	Confident	141 Å²	141	113.3 Å²	113.3	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-68.7	-35.3	173	-70.9	-175.5	177.5	-170.6	0	113.3	I565 Q566 V567 K573	I565-K569 PolarHBondContact O-N 3.25Å; Q566-K569 WeakPolarHBondContact O-CA 3.31Å; Q566-K569 WeakPolarHBondContact O-CB 3.29Å; Q566-K569 PolarHBondContact O-N 3.42Å; V567-K569 VanDerWaalsContact C-N 3.25Å; V567-K569 PolarHBondContact O-N 2.91Å; K569-K573 WeakPolarHBondContact O-CG 3.44Å; K569-K573 PolarHBondContact O-N 3.12Å; K569-K573 VanDerWaalsContact O-N 3.14Å
570	W	54.5	Low	70.7	Confident	191 Å²	191	111.6 Å²	111.6	72%	0.723	52%	0.516	S	S	*	.	H	α-helix	trans	-72.3	-41.3	178.4	-74	98.4	0	0	0	112	Q566 V567 K573 S574	Q566-W570 PolarHBondContact O-N 3.43Å; V567-W570 PolarHBondContact O-N 3.26Å; V567-W570 VanDerWaalsContact O-N 3.08Å; W570-K573 PolarHBondContact O-N 2.98Å; W570-S574 WeakPolarHBondContact O-CB 3.31Å; W570-S574 PolarHBondContact O-N 3.5Å
571	N	60.8	Low	69.5	Low	105 Å²	105	117.6 Å²	117.6	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-65.2	-39.9	176.7	-73.1	-9.8	0	0	0	111.9	V567 S574 Y575	V567-N571 PolarHBondContact O-N 3.3Å; N571-S574 PolarHBondContact O-N 3.26Å; N571-Y575 PolarHBondContact O-N 3.34Å
572	I	61.9	Low	68.2	Low	108 Å²	108	123.4 Å²	123.4	55%	0.554	57%	0.571	S	S	*	*	H	α-helix	trans	-65.5	-40.6	175.7	-67	166.2	0	0	0	111.4	N568 Y575 N576	N568-I572 WeakPolarHBondContact O-CB 3.36Å; N568-I572 VanDerWaalsContact O-CD1 3.29Å; N568-I572 WeakPolarHBondContact O-CD1 3.12Å; N568-I572 WeakPolarHBondContact O-CG1 3.14Å; N568-I572 PolarHBondContact O-N 3.38Å; N568-I572 VanDerWaalsContact O-N 3.17Å; I572-Y575 PolarHBondContact O-N 3.09Å; I572-N576 PolarHBondContact O-N 2.93Å
573	K	57.9	Low	66.8	Low	149 Å²	149	123.1 Å²	123.1	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-69.5	-34.3	177.2	-79.5	-169.7	174.1	-163.4	0	113.7	K569 W570 Y575 H577	K569-K573 WeakPolarHBondContact O-CG 3.44Å; K569-K573 PolarHBondContact O-N 3.12Å; K569-K573 VanDerWaalsContact O-N 3.14Å; W570-K573 PolarHBondContact O-N 2.98Å; K573-Y575 VanDerWaalsContact C-N 3.32Å; K573-H577 PolarHBondContact O-N 3.39Å
574	S	56.7	Low	65.2	Low	72 Å²	72	121.3 Å²	121.3	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-67.9	-34.3	176.9	-172.2	0	0	0	0	111.8	W570 N571	W570-S574 WeakPolarHBondContact O-CB 3.31Å; W570-S574 PolarHBondContact O-N 3.5Å; N571-S574 PolarHBondContact O-N 3.26Å
575	Y	56.8	Low	63.5	Low	190 Å²	190	128.8 Å²	128.8	75%	0.745	61%	0.605	S	S	*	*	H	α-helix	trans	-74.5	-29.9	178.5	-147.2	-90.9	0	0	0	113.4	N571 I572 K573 H577	N571-Y575 PolarHBondContact O-N 3.34Å; I572-Y575 PolarHBondContact O-N 3.09Å; K573-Y575 VanDerWaalsContact C-N 3.32Å; Y575-H577 VanDerWaalsContact C-N 3.33Å
576	N	63.4	Low	61.6	Low	129 Å²	129	132.1 Å²	132.1	69%	0.69	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-2.7	176.9	-71.6	-5.5	0	0	0	114.1	I572	I572-N576 PolarHBondContact O-N 2.93Å
577	H	59.1	Low	59.7	Low	176 Å²	176	135.8 Å²	135.8	82%	0.815	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	0.9	176.1	-99.6	-66.3	0	0	0	113.4	K573 Y575	K573-H577 PolarHBondContact O-N 3.39Å; Y575-H577 VanDerWaalsContact C-N 3.33Å
578	K	47.1	Very low	58.4	Low	234 Å²	234	144.3 Å²	144.3	100%	1.017	67%	0.669	S	S	*	*			trans	-104.5	0	163.3	-73	-173.5	176.6	-173.3	0	108.2

Retrieved 578 of 578 residues in 135.2 ms (Link to these results)

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