A0A3Q0KRE3_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 659 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	33.3	Very low	29	Very low	250 Å²	250	159.6 Å²	159.6	100%	1.232	89%	0.889	S	S	*	*				0	147.1	0	-74.7	159.9	161.7	0	0	108
2	Q	28.6	Very low	29.4	Very low	203 Å²	203	157.6 Å²	157.6	95%	0.949	88%	0.884	S	S	*	*			trans	-107.8	135.1	-179.2	-69.7	170.7	-67.7	0	0	110.5
3	S	31.9	Very low	29	Very low	122 Å²	122	156.6 Å²	156.6	85%	0.853	88%	0.876	S	S	*	*			trans	-162	101	157.8	53.7	0	0	0	0	108.6
4	T	28.9	Very low	28.9	Very low	136 Å²	136	158.4 Å²	158.4	83%	0.834	87%	0.87	S	S	*	*			trans	-86.7	135.3	168.7	44.5	0	0	0	0	109.6
5	E	33.6	Very low	28.9	Very low	198 Å²	198	155.4 Å²	155.4	93%	0.925	86%	0.859	S	S	*	*			trans	-143.5	160	161.9	-138.9	159.8	-132.6	0	0	110.9
6	Y	30.9	Very low	29.1	Very low	226 Å²	226	153.8 Å²	153.8	89%	0.886	86%	0.855	S	S	*	*			trans	-105.6	161.8	-153.2	-106.2	-100	0	0	0	115.1
7	S	24.8	Very low	29.1	Very low	99 Å²	99	149.8 Å²	149.8	69%	0.692	85%	0.846	S	S	*	*			trans	-77.7	145.1	-171.4	-47.1	0	0	0	0	115.6
8	T	24.1	Very low	29.3	Very low	135 Å²	135	148.2 Å²	148.2	83%	0.828	85%	0.846	S	S	*	*			trans	51.6	119.7	139.7	55.9	0	0	0	0	120.6
9	S	28.1	Very low	29.1	Very low	128 Å²	128	147.1 Å²	147.1	90%	0.895	84%	0.843	S	S	*	*				-153.8	152.6	118.6	40.6	0	0	0	0	110.6
10	S	26	Very low	29	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	84%	0.844	S	S	*	*			trans	-102.9	138	-171.1	53.4	0	0	0	0	112.6
11	T	29.3	Very low	29.1	Very low	146 Å²	146	146.6 Å²	146.6	90%	0.896	83%	0.832	S	S	*	*			trans	-122.4	138.5	160.3	30.5	0	0	0	0	109.9
12	T	33.1	Very low	28.7	Very low	135 Å²	135	144 Å²	144	83%	0.828	82%	0.817	S	S	*	*			trans	-107.9	129.8	-178	48.5	0	0	0	0	110.9
13	D	24.3	Very low	28.7	Very low	145 Å²	145	140.2 Å²	140.2	78%	0.775	81%	0.813	S	S	*	*			trans	-68	146.2	167.1	-62.7	-64.2	0	0	0	111.7
14	F	28.3	Very low	28.4	Very low	181 Å²	181	142 Å²	142	79%	0.794	81%	0.812	S	S	*	*				171.3	118.1	111.9	-111.6	-101.2	0	0	0	112.9
15	T	28.3	Very low	28.4	Very low	114 Å²	114	141.9 Å²	141.9	70%	0.699	81%	0.811	S	S	*	*			trans	57	152	144.1	57.8	0	0	0	0	120.7
16	T	31.6	Very low	28	Very low	130 Å²	130	140.6 Å²	140.6	80%	0.798	81%	0.805	S	S	*	*			cis	-150.8	151	22.8	-30.3	0	0	0	0	113.6
17	A	30.1	Very low	27.9	Very low	85 Å²	85	135.3 Å²	135.3	70%	0.702	80%	0.801	S	S	*	*			trans	-17.9	143.6	170.5	0	0	0	0	0	122.4
18	S	31.8	Very low	27.9	Very low	122 Å²	122	138 Å²	138	85%	0.853	81%	0.806	S	S	*	*				-154.5	163.9	106.9	56	0	0	0	0	110.8
19	T	26.3	Very low	28.6	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	80%	0.801	S	S	*	*			trans	-145.2	137.7	-157.4	-42	0	0	0	0	112.5
20	F	26.8	Very low	28.5	Very low	198 Å²	198	137.6 Å²	137.6	87%	0.868	80%	0.801	S	S	*	*			trans	-157.3	148.7	150.1	-139.4	-112.1	0	0	0	114.6
21	S	31.1	Very low	28.5	Very low	85 Å²	85	139.9 Å²	139.9	59%	0.594	80%	0.804	S	S	*	*			trans	3.4	121.5	171.7	60.6	0	0	0	0	119.3
22	Q	25.8	Very low	28.6	Very low	197 Å²	197	140.4 Å²	140.4	92%	0.921	80%	0.801	S	S	*	*				50.4	108.3	62.8	-68.9	-169.8	-26.7	0	0	116.5
23	S	27.8	Very low	28.3	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	79%	0.794	S	S	*	*				-157.2	156.2	118.3	56.2	0	0	0	0	109.7
24	L	24.7	Very low	28.5	Very low	161 Å²	161	142 Å²	142	84%	0.843	80%	0.795	S	S	*	*			trans	-134.9	122	-176.8	178.6	86.6	0	0	0	108.3
25	T	29.8	Very low	28.6	Very low	132 Å²	132	141.1 Å²	141.1	81%	0.81	80%	0.795	S	S	*	*			trans	-147	117	170.5	-39	0	0	0	0	110.3
26	E	24.6	Very low	28.8	Very low	171 Å²	171	142.2 Å²	142.2	80%	0.799	80%	0.795	S	S	*	*			trans	-86.7	139	168.5	-68.2	178.1	100	0	0	110.9
27	S	28.5	Very low	29	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	78%	0.776	S	S	*	*			trans	-168.4	147	139.5	38.7	0	0	0	0	110
28	I	25.5	Very low	29.5	Very low	157 Å²	157	141.1 Å²	141.1	81%	0.805	78%	0.78	S	S	*	*			trans	-130.2	177.1	-174.3	-19.6	179.3	0	0	0	108.4
29	P	38.7	Very low	29.8	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	77%	0.772	S	S	*	*				-117.8	177.7	-100.3	41.5	-28.5	0	0	0	114.1
30	T	26.2	Very low	30.5	Very low	143 Å²	143	138.5 Å²	138.5	88%	0.877	75%	0.751	S	S	*	*			trans	-144.8	155.3	148.5	35	0	0	0	0	111.6
31	N	25.3	Very low	31	Very low	160 Å²	160	137.6 Å²	137.6	86%	0.856	74%	0.743	S	S	*	*			trans	-57.2	152.3	174.8	-59.2	-27.9	0	0	0	112.5
32	D	31.8	Very low	31.3	Very low	157 Å²	157	142 Å²	142	84%	0.84	75%	0.748	S	S	*	*				-150	176.3	127.7	-137.6	-33.1	0	0	0	112.7
33	T	27.1	Very low	31.9	Very low	110 Å²	110	137.8 Å²	137.8	68%	0.675	73%	0.731	S	S	*	*			trans	-107.5	142.1	-150.8	-31	0	0	0	0	112.8
34	Y	28.2	Very low	32.8	Very low	203 Å²	203	137.3 Å²	137.3	80%	0.796	72%	0.718	S	S	*	*			trans	18	104.6	161.3	-87.2	-94.7	0	0	0	119	I36	Y34-I36 HydrophobicContact CD1-CD1 4.39Å; Y34-I36 HydrophobicContact CE1-CD1 4.21Å
35	M	30.7	Very low	33.6	Very low	163 Å²	163	133.4 Å²	133.4	80%	0.803	70%	0.701	S	S	*	*			trans	-143	104.2	137	-112.7	-167	69.6	0	0	111.2	T37	M35-T37 HydrophobicContact CE-CG2 3.5Å; M35-T37 PolarHBondContact O-N 3.2Å
36	I	31.9	Very low	34.3	Very low	137 Å²	137	130.3 Å²	130.3	70%	0.703	68%	0.682	S	S	*	*			trans	-86.6	94.9	174.8	-58.6	174.1	0	0	0	107.8	Y34	Y34-I36 HydrophobicContact CD1-CD1 4.39Å; Y34-I36 HydrophobicContact CE1-CD1 4.21Å
37	T	36	Very low	35.3	Very low	65 Å²	65	124.8 Å²	124.8	40%	0.399	66%	0.662	S	S	.	*			trans	-85.8	140.7	170.5	54.4	0	0	0	0	110.7	M35 E39 S40	M35-T37 HydrophobicContact CE-CG2 3.5Å; M35-T37 PolarHBondContact O-N 3.2Å; T37-E39 PolarHBondContact O-N 3.01Å; T37-S40 WeakPolarHBondContact O-CB 3.49Å; T37-S40 PolarHBondContact O-N 3.47Å; T37-S40 PolarHBondContact O-OG 3.13Å
38	T	40.6	Very low	36.4	Very low	128 Å²	128	122.7 Å²	122.7	79%	0.785	65%	0.648	S	S	*	*	H	α-helix	trans	-66.6	-16.6	-173.2	36.4	0	0	0	0	114.8	S40	T38-S40 VanDerWaalsContact C-N 3.34Å
39	E	39.1	Very low	37.4	Very low	144 Å²	144	120.4 Å²	120.4	67%	0.673	64%	0.636	S	S	*	*	H	α-helix	trans	-68.1	-31.5	174.3	-64.2	-179.1	118.7	0	0	112.8	T37 Y41 Y42 N43	T37-E39 PolarHBondContact O-N 3.01Å; E39-Y41 VanDerWaalsContact C-N 3.29Å; E39-Y41 PolarHBondContact O-N 3.48Å; E39-Y42 PolarHBondContact O-N 3.06Å; E39-N43 PolarHBondContact O-N 3.39Å
40	S	41.1	Very low	37.9	Very low	49 Å²	49	122.7 Å²	122.7	34%	0.343	64%	0.635	S	S	.	*	H	α-helix	trans	-58.5	-41.5	178.3	63	0	0	0	0	111.9	T37 T38 N43 I44	T37-S40 WeakPolarHBondContact O-CB 3.49Å; T37-S40 PolarHBondContact O-N 3.47Å; T37-S40 PolarHBondContact O-OG 3.13Å; T38-S40 VanDerWaalsContact C-N 3.34Å; S40-N43 PolarHBondContact O-N 3.17Å; S40-I44 WeakPolarHBondContact O-CD1 3.44Å; S40-I44 VanDerWaalsContact O-CG1 3.27Å; S40-I44 WeakPolarHBondContact O-CG1 3.29Å; S40-I44 PolarHBondContact O-N 3.34Å
41	Y	37.3	Very low	38.9	Very low	180 Å²	180	120.6 Å²	120.6	71%	0.706	62%	0.618	S	S	*	*	H	α-helix	trans	-68.7	-36.5	-179.6	-132.8	-85.9	0	0	0	112.5	E39 V45	E39-Y41 VanDerWaalsContact C-N 3.29Å; E39-Y41 PolarHBondContact O-N 3.48Å; Y41-V45 HydrophobicContact CD1-CG2 4.43Å; Y41-V45 WeakPolarHBondContact O-CG2 3.49Å; Y41-V45 PolarHBondContact O-N 3.16Å; Y41-V45 VanDerWaalsContact O-N 3.15Å
42	Y	36.2	Very low	40.1	Very low	177 Å²	177	116.9 Å²	116.9	69%	0.694	60%	0.602	S	S	*	*	H	α-helix	trans	-72	-37.2	177.6	-120.3	-84.6	0	0	0	112.2	E39 T46	E39-Y42 PolarHBondContact O-N 3.06Å; Y42-T46 HydrophobicContact CD1-CG2 4.35Å; Y42-T46 WeakPolarHBondContact O-CB 3.49Å; Y42-T46 WeakPolarHBondContact O-CG2 3.4Å; Y42-T46 PolarHBondContact O-N 3.14Å; Y42-T46 PolarHBondContact O-OG1 3.39Å
43	N	39	Very low	40.6	Very low	108 Å²	108	113.9 Å²	113.9	58%	0.578	59%	0.585	S	S	*	*	H	α-helix	trans	-70.8	-37	176.2	-76.8	-22.3	0	0	0	112.5	E39 S40 T46 S47	E39-N43 PolarHBondContact O-N 3.39Å; S40-N43 PolarHBondContact O-N 3.17Å; N43-T46 WeakPolarHBondContact CA-OG1 3.43Å; N43-T46 PolarHBondContact O-N 3.37Å; N43-T46 PolarHBondContact O-OG1 3.32Å; N43-S47 WeakPolarHBondContact O-CB 3.27Å; N43-S47 PolarHBondContact O-N 2.95Å; N43-S47 PolarHBondContact O-OG 3.04Å
44	I	45.7	Very low	41.3	Very low	113 Å²	113	110.8 Å²	110.8	58%	0.579	57%	0.568	S	S	*	*	H	α-helix	trans	-65.4	-41.3	174.1	-69.6	164.7	0	0	0	111.5	S40 S47 S48	S40-I44 WeakPolarHBondContact O-CD1 3.44Å; S40-I44 VanDerWaalsContact O-CG1 3.27Å; S40-I44 WeakPolarHBondContact O-CG1 3.29Å; S40-I44 PolarHBondContact O-N 3.34Å; I44-S47 PolarHBondContact O-OG 2.83Å; I44-S48 VanDerWaalsContact O-CB 3.24Å; I44-S48 WeakPolarHBondContact O-CB 3.4Å; I44-S48 PolarHBondContact O-N 3.06Å; I44-S48 VanDerWaalsContact O-N 3.17Å
45	V	42.4	Very low	42.1	Very low	78 Å²	78	105.3 Å²	105.3	47%	0.473	56%	0.556	S	S	.	*	H	α-helix	trans	-69.3	-37.9	177.1	172.1	0	0	0	0	111.5	Y41 L49	Y41-V45 HydrophobicContact CD1-CG2 4.43Å; Y41-V45 WeakPolarHBondContact O-CG2 3.49Å; Y41-V45 PolarHBondContact O-N 3.16Å; Y41-V45 VanDerWaalsContact O-N 3.15Å; V45-L49 WeakPolarHBondContact O-CB 3.48Å; V45-L49 PolarHBondContact O-N 3.32Å
46	T	44.1	Very low	42.4	Very low	67 Å²	67	103.8 Å²	103.8	41%	0.411	55%	0.55	S	S	.	*	H	α-helix	trans	-81.5	-28.7	-179.3	52.5	0	0	0	0	114.2	Y42 N43 K50	Y42-T46 HydrophobicContact CD1-CG2 4.35Å; Y42-T46 WeakPolarHBondContact O-CB 3.49Å; Y42-T46 WeakPolarHBondContact O-CG2 3.4Å; Y42-T46 PolarHBondContact O-N 3.14Å; Y42-T46 PolarHBondContact O-OG1 3.39Å; N43-T46 WeakPolarHBondContact CA-OG1 3.43Å; N43-T46 PolarHBondContact O-N 3.37Å; N43-T46 PolarHBondContact O-OG1 3.32Å; T46-K50 VanDerWaalsContact O-CB 3.27Å; T46-K50 WeakPolarHBondContact O-CB 3.41Å; T46-K50 PolarHBondContact O-N 3.06Å
47	S	46	Very low	42.7	Very low	56 Å²	56	102.3 Å²	102.3	39%	0.392	55%	0.548	S	S	.	.	H	α-helix	trans	-65.8	-48.9	167.6	64.8	0	0	0	0	110.4	N43 I44 L49 K50 D51	N43-S47 WeakPolarHBondContact O-CB 3.27Å; N43-S47 PolarHBondContact O-N 2.95Å; N43-S47 PolarHBondContact O-OG 3.04Å; I44-S47 PolarHBondContact O-OG 2.83Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 3.32Å; S47-K50 CarbonylContact O-C 3.32Å; S47-K50 WeakPolarHBondContact O-CA 3.36Å; S47-K50 PolarHBondContact O-N 3.36Å; S47-D51 WeakPolarHBondContact O-CB 3.37Å; S47-D51 PolarHBondContact O-N 3.48Å
48	S	52.1	Low	42.6	Very low	71 Å²	71	104.2 Å²	104.2	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-51.6	-44.2	173.7	176.5	0	0	0	0	112.6	I44 T52	I44-S48 VanDerWaalsContact O-CB 3.24Å; I44-S48 WeakPolarHBondContact O-CB 3.4Å; I44-S48 PolarHBondContact O-N 3.06Å; I44-S48 VanDerWaalsContact O-N 3.17Å; S48-T52 WeakPolarHBondContact O-CB 3.41Å; S48-T52 WeakPolarHBondContact O-CG2 3.44Å; S48-T52 PolarHBondContact O-N 2.95Å; S48-T52 PolarHBondContact O-OG1 3.48Å
49	L	46.9	Very low	42.2	Very low	108 Å²	108	104.9 Å²	104.9	57%	0.565	56%	0.558	S	S	*	*	H	α-helix	trans	-70.8	-34.7	177.1	-140.5	158	0	0	0	112.4	V45 S47 T52 L53	V45-L49 WeakPolarHBondContact O-CB 3.48Å; V45-L49 PolarHBondContact O-N 3.32Å; S47-L49 VanDerWaalsContact C-N 3.27Å; S47-L49 PolarHBondContact O-N 3.32Å; L49-T52 WeakPolarHBondContact CA-OG1 3.33Å; L49-T52 PolarHBondContact O-OG1 3.42Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 PolarHBondContact O-N 3.03Å
50	K	48.5	Very low	41.8	Very low	159 Å²	159	102.6 Å²	102.6	69%	0.691	56%	0.557	S	S	*	*	H	α-helix	trans	-74.8	-31.8	177.7	-161.5	174.5	-175.4	-177.5	0	112.9	T46 S47 S54	T46-K50 VanDerWaalsContact O-CB 3.27Å; T46-K50 WeakPolarHBondContact O-CB 3.41Å; T46-K50 PolarHBondContact O-N 3.06Å; S47-K50 CarbonylContact O-C 3.32Å; S47-K50 WeakPolarHBondContact O-CA 3.36Å; S47-K50 PolarHBondContact O-N 3.36Å; K50-S54 VanDerWaalsContact O-CB 3.27Å; K50-S54 WeakPolarHBondContact O-CB 3.29Å; K50-S54 PolarHBondContact O-N 3.46Å; K50-S54 PolarHBondContact O-OG 2.86Å
51	D	47.5	Very low	41.3	Very low	99 Å²	99	107.1 Å²	107.1	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-81.9	-32.4	177.5	-66.1	-31.7	0	0	0	112.3	S47 S54 T55	S47-D51 WeakPolarHBondContact O-CB 3.37Å; S47-D51 PolarHBondContact O-N 3.48Å; D51-S54 WeakPolarHBondContact CA-OG 3.37Å; D51-S54 PolarHBondContact O-OG 3.39Å; D51-T55 PolarHBondContact O-N 2.83Å; D51-T55 PolarHBondContact O-OG1 3.24Å
52	T	49.5	Very low	40.9	Very low	82 Å²	82	105.9 Å²	105.9	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-71.1	-35.9	166.5	48.9	0	0	0	0	112	S48 L49 T55 L56	S48-T52 WeakPolarHBondContact O-CB 3.41Å; S48-T52 WeakPolarHBondContact O-CG2 3.44Å; S48-T52 PolarHBondContact O-N 2.95Å; S48-T52 PolarHBondContact O-OG1 3.48Å; L49-T52 WeakPolarHBondContact CA-OG1 3.33Å; L49-T52 PolarHBondContact O-OG1 3.42Å; T52-T55 WeakPolarHBondContact CA-OG1 3.4Å; T52-T55 PolarHBondContact O-OG1 3.31Å; T52-L56 VanDerWaalsContact O-CB 3.3Å; T52-L56 WeakPolarHBondContact O-CB 3.36Å; T52-L56 PolarHBondContact O-N 2.92Å
53	L	42.7	Very low	40.5	Very low	94 Å²	94	104.6 Å²	104.6	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-73.8	-32.8	174.3	-165.5	69.1	0	0	0	112.5	L49 L56 T57	L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 PolarHBondContact O-N 3.03Å; L53-L56 HydrophobicContact CD1-CD2 4.46Å; L53-L56 PolarHBondContact O-N 2.87Å; L53-T57 WeakPolarHBondContact O-CB 3.43Å; L53-T57 WeakPolarHBondContact O-CG2 3.43Å; L53-T57 PolarHBondContact O-N 3.11Å; L53-T57 PolarHBondContact O-OG1 2.92Å
54	S	41.1	Very low	39.9	Very low	46 Å²	46	103.9 Å²	103.9	32%	0.322	57%	0.573	S	S	.	*	H	α-helix	trans	-66.2	-49.7	172.3	73.8	0	0	0	0	110.2	K50 D51 L56 T57 T58	K50-S54 VanDerWaalsContact O-CB 3.27Å; K50-S54 WeakPolarHBondContact O-CB 3.29Å; K50-S54 PolarHBondContact O-N 3.46Å; K50-S54 PolarHBondContact O-OG 2.86Å; D51-S54 WeakPolarHBondContact CA-OG 3.37Å; D51-S54 PolarHBondContact O-OG 3.39Å; S54-L56 PolarHBondContact O-N 2.8Å; S54-T57 CarbonylContact O-C 3.5Å; S54-T57 PolarHBondContact O-N 3.05Å; S54-T57 PolarHBondContact O-OG1 3.02Å; S54-T58 WeakPolarHBondContact O-CG2 3.29Å; S54-T58 PolarHBondContact O-N 2.76Å; S54-T58 PolarHBondContact O-OG1 3.42Å; S54-T58 VanDerWaalsContact O-OG1 3.1Å
55	T	46	Very low	39	Very low	88 Å²	88	106.1 Å²	106.1	54%	0.54	58%	0.58	S	S	.	*	H	α-helix	trans	-62.5	-27	174.5	47.2	0	0	0	0	113.9	D51 T52	D51-T55 PolarHBondContact O-N 2.83Å; D51-T55 PolarHBondContact O-OG1 3.24Å; T52-T55 WeakPolarHBondContact CA-OG1 3.4Å; T52-T55 PolarHBondContact O-OG1 3.31Å
56	L	38.1	Very low	38.2	Very low	130 Å²	130	108 Å²	108	68%	0.681	59%	0.592	S	S	*	*	H	α-helix	trans	-74.3	-24.3	171.7	-154	76.3	0	0	0	113.6	T52 L53 S54	T52-L56 VanDerWaalsContact O-CB 3.3Å; T52-L56 WeakPolarHBondContact O-CB 3.36Å; T52-L56 PolarHBondContact O-N 2.92Å; L53-L56 HydrophobicContact CD1-CD2 4.46Å; L53-L56 PolarHBondContact O-N 2.87Å; S54-L56 PolarHBondContact O-N 2.8Å
57	T	36.6	Very low	37.4	Very low	107 Å²	107	109.2 Å²	109.2	66%	0.656	60%	0.6	S	S	*	*	H	α-helix	trans	-104.9	-21	-177.7	50.3	0	0	0	0	113.8	L53 S54 L59	L53-T57 WeakPolarHBondContact O-CB 3.43Å; L53-T57 WeakPolarHBondContact O-CG2 3.43Å; L53-T57 PolarHBondContact O-N 3.11Å; L53-T57 PolarHBondContact O-OG1 2.92Å; S54-T57 CarbonylContact O-C 3.5Å; S54-T57 PolarHBondContact O-N 3.05Å; S54-T57 PolarHBondContact O-OG1 3.02Å; T57-L59 VanDerWaalsContact C-N 3.25Å
58	T	33.5	Very low	36.5	Very low	104 Å²	104	113.1 Å²	113.1	64%	0.638	62%	0.621	S	S	*	*			trans	-88.1	12.4	165.8	67.6	0	0	0	0	112.4	S54 S60	S54-T58 WeakPolarHBondContact O-CG2 3.29Å; S54-T58 PolarHBondContact O-N 2.76Å; S54-T58 PolarHBondContact O-OG1 3.42Å; S54-T58 VanDerWaalsContact O-OG1 3.1Å; T58-S60 PolarHBondContact O-N 3.01Å
59	L	33.6	Very low	35.5	Very low	143 Å²	143	120 Å²	120	75%	0.749	64%	0.637	S	S	*	*			trans	-71.6	71.3	165.2	-160.2	79.1	0	0	0	109	T57	T57-L59 VanDerWaalsContact C-N 3.25Å
60	S	30.6	Very low	35	Very low	95 Å²	95	118.6 Å²	118.6	66%	0.664	64%	0.637	S	S	*	*			trans	-54.5	141.7	-173.4	-175.3	0	0	0	0	111.7	T58 H62	T58-S60 PolarHBondContact O-N 3.01Å; S60-H62 PolarHBondContact O-N 2.84Å
61	I	30.7	Very low	34.7	Very low	145 Å²	145	116.9 Å²	116.9	74%	0.744	63%	0.631	S	S	*	*			trans	-76.2	72.2	179.8	-53.9	171	0	0	0	108.8	H63	I61-H63 VanDerWaalsContact C-N 3.31Å; I61-H63 PolarHBondContact O-N 2.94Å
62	H	28.8	Very low	34.6	Very low	154 Å²	154	117 Å²	117	71%	0.713	63%	0.627	S	S	*	*			trans	-81.3	83.7	160.7	-102.6	30.3	0	0	0	109.1	S60 D64	S60-H62 PolarHBondContact O-N 2.84Å; H62-D64 PolarHBondContact O-N 3.2Å
63	H	26.9	Very low	34.5	Very low	150 Å²	150	116.4 Å²	116.4	69%	0.694	63%	0.63	S	S	*	*			trans	-72.8	63.3	163	-102.3	-2.2	0	0	0	110.3	I61 H65	I61-H63 VanDerWaalsContact C-N 3.31Å; I61-H63 PolarHBondContact O-N 2.94Å; H63-H65 AromaticContact CD2-NE2 3.82Å; H63-H65 AromaticContact CG-NE2 3.91Å; H63-H65 PolarHBondContact O-N 2.9Å
64	D	26.4	Very low	35	Very low	92 Å²	92	113 Å²	113	49%	0.492	61%	0.614	S	S	.	*			trans	-74.5	78.4	173.3	-119.2	-12.6	0	0	0	109.4	H62 T66 T67	H62-D64 PolarHBondContact O-N 3.2Å; D64-T66 PolarHBondContact O-N 3.5Å; D64-T67 HydrophobicContact CB-CG2 4.36Å; D64-T67 PolarHBondContact O-N 2.65Å; D64-T67 PolarHBondContact O-OG1 2.93Å
65	H	27	Very low	35.5	Very low	160 Å²	160	113.2 Å²	113.2	74%	0.741	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	9.8	-176.6	-92.5	-79.4	0	0	0	114.9	H63	H63-H65 AromaticContact CD2-NE2 3.82Å; H63-H65 AromaticContact CG-NE2 3.91Å; H63-H65 PolarHBondContact O-N 2.9Å
66	T	26	Very low	35.5	Very low	117 Å²	117	121 Å²	121	72%	0.718	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	-4.7	-173.9	51.2	0	0	0	0	113.5	D64 V68	D64-T66 PolarHBondContact O-N 3.5Å; T66-V68 PolarHBondContact O-N 2.78Å
67	T	27.2	Very low	36	Very low	93 Å²	93	116.7 Å²	116.7	57%	0.571	61%	0.614	S	S	*	*	S	Bend	trans	-76.2	120.1	173.8	54.9	0	0	0	0	110.9	D64 Y69	D64-T67 HydrophobicContact CB-CG2 4.36Å; D64-T67 PolarHBondContact O-N 2.65Å; D64-T67 PolarHBondContact O-OG1 2.93Å; T67-Y69 PolarHBondContact O-N 3.39Å; T67-Y69 VanDerWaalsContact O-N 3.12Å
68	V	27.9	Very low	36.6	Very low	138 Å²	138	115.8 Å²	115.8	84%	0.836	60%	0.602	S	S	*	*			trans	-62.4	115.5	172.9	176	0	0	0	0	108.5	T66 S70	T66-V68 PolarHBondContact O-N 2.78Å; V68-S70 PolarHBondContact O-N 2.97Å
69	Y	29.7	Very low	37.3	Very low	216 Å²	216	114.1 Å²	114.1	85%	0.847	59%	0.589	S	S	*	*			trans	-54.4	108.8	177.8	-82.7	-90.6	0	0	0	110.6	T67 E71	T67-Y69 PolarHBondContact O-N 3.39Å; T67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-E71 PolarHBondContact O-N 3.35Å
70	S	36.4	Very low	38.2	Very low	79 Å²	79	108.8 Å²	108.8	55%	0.552	56%	0.564	S	S	*	*			trans	-73.5	92.1	177.7	-176.5	0	0	0	0	110.3	V68 F72 A73	V68-S70 PolarHBondContact O-N 2.97Å; S70-F72 PolarHBondContact O-N 3.18Å; S70-A73 PolarHBondContact O-N 2.67Å
71	E	42	Very low	39.4	Very low	123 Å²	123	105.1 Å²	105.1	58%	0.575	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-11.7	165.9	-66	-162.6	131.6	0	0	112.8	Y69 N586	Y69-E71 PolarHBondContact O-N 3.35Å; E71-N586 PolarHBondContact OE2-ND2 2.82Å
72	F	45	Very low	40.7	Very low	101 Å²	101	99 Å²	99	44%	0.443	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	7.7	-167.5	-52.5	-68.6	0	0	0	114.5	S70 C74	S70-F72 PolarHBondContact O-N 3.18Å; F72-C74 PolarHBondContact O-N 2.94Å
73	A	48.2	Very low	42.3	Very low	69 Å²	69	92.1 Å²	92.1	57%	0.57	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-1.4	176	0	0	0	0	0	114.8	S70 V75	S70-A73 PolarHBondContact O-N 2.67Å; A73-V75 PolarHBondContact O-N 3.44Å
74	C	54.1	Low	44	Very low	22 Å²	22	86 Å²	86	15%	0.149	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	-169.5	-112.9	0	0	0	0	116.7	F72 C89	F72-C74 PolarHBondContact O-N 2.94Å; C74-C89 HydrophobicContact CB-CB 4.48Å; C74-C89 WeakPolarHBondContact CB-SG 3.23Å; C74-C89 WeakPolarHBondContact SG-CB 3.19Å; C74-C89 PolarHBondContact SG-O 3.36Å; C74-C89 CovalentContact SG-SG 2.03Å; C74-C89 PolarHBondContact SG-SG 3.32Å
75	V	49.7	Very low	45.8	Very low	52 Å²	52	82.8 Å²	82.8	32%	0.315	43%	0.428	S	S	.	.			trans	-123.6	89.8	-173.9	-175.1	0	0	0	0	109.9	A73 L86	A73-V75 PolarHBondContact O-N 3.44Å; V75-L86 HydrophobicContact CG1-CD1 4.21Å; V75-L86 HydrophobicContact CG1-CD2 4.27Å; V75-L86 HydrophobicContact CG1-CG 4.32Å; V75-L86 HydrophobicContact CG2-CD1 4.38Å; V75-L86 HydrophobicContact CG2-CG 4.23Å
76	R	47.1	Very low	47.5	Very low	251 Å²	251	75.2 Å²	75.2	95%	0.947	39%	0.393	S	S	*	.	S	Bend	trans	-96.5	-14.9	176.3	-113.7	179.6	177.1	171.1	-1.1	114.3
77	S	48.1	Very low	49.5	Very low	40 Å²	40	69.9 Å²	69.9	28%	0.28	36%	0.36	S	S	.	.			trans	-153.5	131.4	174.2	177.1	0	0	0	0	110	L79 S80	S77-L79 PolarHBondContact O-N 2.91Å; S77-L79 PolarHBondContact OG-N 2.91Å; S77-S80 PolarHBondContact O-OG 3.3Å
78	E	50.1	Low	51.6	Low	87 Å²	87	65.5 Å²	65.5	41%	0.407	33%	0.333	S	S	.	.	S	Bend	trans	-75.1	-5	174.1	-95.9	-144	-154.3	0	0	113.9	R511 R578	E78-R511 VanDerWaalsContact O-CZ 3.29Å; E78-R511 PolarHBondContact O-NH1 3.41Å; E78-R511 IonicContact OE2-CZ 3.68Å; E78-R511 IonicContact OE2-NH1 2.65Å; E78-R511 PolarHBondContact OE2-NH1 2.87Å; E78-R511 IonicContact OE2-NH2 2.76Å; E78-R511 PolarHBondContact OE2-NH2 3.22Å; E78-R578 IonicContact OE2-CZ 2.75Å; E78-R578 IonicContact OE2-NE 3.85Å; E78-R578 IonicContact OE2-NH2 3.5Å; E78-R578 PolarHBondContact OE2-NH2 3.17Å
79	L	47.8	Very low	53.7	Low	70 Å²	70	59.5 Å²	59.5	37%	0.366	30%	0.297	S	S	.	.	S	Bend	trans	-115.2	-6.7	-176.3	-75.9	81.3	0	0	0	113.7	S77 E81 R505 C506	S77-L79 PolarHBondContact O-N 2.91Å; S77-L79 PolarHBondContact OG-N 2.91Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.01Å; L79-R505 HydrophobicContact CB-CG 4.17Å; L79-R505 WeakPolarHBondContact O-CG 3.12Å; L79-C506 CarbonylContact O-C 3.21Å; L79-C506 WeakPolarHBondContact O-CA 3.31Å; L79-C506 PolarHBondContact O-N 2.82Å
80	S	52.7	Low	55.8	Low	31 Å²	31	49.8 Å²	49.8	22%	0.217	26%	0.261	C	S	.	.	S	Bend	trans	-64.8	-38.1	-179.8	47.9	0	0	0	0	112	S77 C506	S77-S80 PolarHBondContact O-OG 3.3Å; S80-C506 PolarHBondContact O-N 2.72Å; S80-C506 VanDerWaalsContact O-N 3.15Å
81	E	54.7	Low	57.5	Low	17 Å²	17	46.3 Å²	46.3	8%	0.079	24%	0.237	C	C	.	.	S	Bend	trans	-140.1	155	-159.8	-71.9	170.3	175.7	0	0	114	L79 L86 R156 L171 C506	L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.01Å; E81-L86 HydrophobicContact CB-CB 4.28Å; E81-R156 VanDerWaalsContact CD-NH1 3.34Å; E81-R156 IonicContact OE1-CZ 3.39Å; E81-R156 IonicContact OE1-NH1 2.7Å; E81-R156 PolarHBondContact OE1-NH1 2.84Å; E81-R156 IonicContact OE1-NH2 3.31Å; E81-R156 PolarHBondContact OE1-NH2 3.28Å; E81-R156 IonicContact OE2-CZ 2.83Å; E81-R156 IonicContact OE2-NH1 2.7Å; E81-R156 PolarHBondContact OE2-NH1 2.89Å; E81-R156 IonicContact OE2-NH2 3.58Å; E81-R156 PolarHBondContact OE2-NH2 2.97Å; E81-L171 HydrophobicContact CG-CD2 3.69Å; E81-C506 VanDerWaalsContact C-CB 3.5Å
82	P	59.2	Low	59.4	Low	18 Å²	18	42.7 Å²	42.7	12%	0.117	23%	0.225	C	C	.	.			trans	-62.6	137.6	169.3	-17.4	30.5	0	0	0	111.2	F84 Q85 L86 F180 F493	P82-F84 VanDerWaalsContact C-N 3.27Å; P82-F84 PolarHBondContact O-N 2.92Å; P82-Q85 HydrophobicContact CB-CG 4.33Å; P82-Q85 HydrophobicContact CG-CG 4.45Å; P82-Q85 PolarHBondContact O-N 3.27Å; P82-L86 PolarHBondContact O-N 2.86Å; P82-F180 HydrophobicContact CG-CD2 4.45Å; P82-F493 HydrophobicContact CG-CE1 4.24Å; P82-F493 HydrophobicContact CG-CZ 4.3Å
83	D	62.3	Low	61.2	Low	9 Å²	9	43 Å²	43	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-47.5	-40.9	-167.5	-68	-37.7	0	0	0	114.7	Q85 L86 Y87 R511	D83-Q85 VanDerWaalsContact C-N 3.32Å; D83-Q85 PolarHBondContact O-N 3.4Å; D83-L86 PolarHBondContact O-N 3.23Å; D83-Y87 HydrophobicContact CB-CD2 4.28Å; D83-Y87 HydrophobicContact CB-CE2 3.87Å; D83-Y87 WeakPolarHBondContact O-CB 3.46Å; D83-Y87 WeakPolarHBondContact O-CD2 3.4Å; D83-Y87 PolarHBondContact O-N 3.01Å; D83-R511 IonicContact OD1-CZ 3.59Å; D83-R511 IonicContact OD1-NE 3.63Å; D83-R511 PolarHBondContact OD1-NE 2.69Å; D83-R511 IonicContact OD1-NH2 3.15Å; D83-R511 PolarHBondContact OD1-NH2 2.86Å; D83-R511 IonicContact OD2-NE 2.67Å
84	F	62.4	Low	62.8	Low	21 Å²	21	45.6 Å²	45.6	9%	0.092	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-37.4	176.9	-65.8	-45.2	0	0	0	114.1	P82 A88 F514 L570 M571 S574 I592 M596	P82-F84 VanDerWaalsContact C-N 3.27Å; P82-F84 PolarHBondContact O-N 2.92Å; F84-A88 WeakPolarHBondContact O-CB 3.39Å; F84-A88 PolarHBondContact O-N 3.42Å; F84-F514 AromaticContact CE1-CE2 3.99Å; F84-F514 HydrophobicContact CE1-CE2 3.99Å; F84-F514 HydrophobicContact CE1-CZ 4.18Å; F84-F514 AromaticContact CE2-CD2 3.95Å; F84-F514 HydrophobicContact CE2-CD2 3.95Å; F84-F514 AromaticContact CE2-CE2 3.56Å; F84-F514 HydrophobicContact CE2-CE2 3.56Å; F84-F514 HydrophobicContact CZ-CD2 4.1Å; F84-F514 AromaticContact CZ-CE2 3.24Å; F84-F514 HydrophobicContact CZ-CE2 3.24Å; F84-F514 AromaticContact CZ-CZ 3.85Å; F84-F514 HydrophobicContact CZ-CZ 3.85Å; F84-L570 HydrophobicContact CD1-CD2 3.54Å; F84-L570 HydrophobicContact CD2-CD2 4.5Å; F84-L570 HydrophobicContact CE1-CB 4.38Å; F84-L570 HydrophobicContact CE1-CD2 3.26Å; F84-L570 HydrophobicContact CE1-CG 4.38Å; F84-L570 WeakPolarHBondContact CE1-O 3.48Å; F84-L570 HydrophobicContact CE2-CD2 4.26Å; F84-L570 HydrophobicContact CG-CD2 4.16Å; F84-L570 HydrophobicContact CZ-CB 4.31Å; F84-L570 HydrophobicContact CZ-CD2 3.62Å; F84-L570 HydrophobicContact CZ-CG 4.43Å; F84-M571 HydrophobicContact CZ-CG 4.16Å; F84-S574 WeakPolarHBondContact CE1-OG 3.4Å; F84-I592 HydrophobicContact CD1-CG2 4.26Å; F84-M596 HydrophobicContact CB-CE 3.7Å; F84-M596 HydrophobicContact CD2-CE 3.97Å; F84-M596 HydrophobicContact CG-CE 4.02Å
85	Q	63.3	Low	64.1	Low	24 Å²	24	46.3 Å²	46.3	11%	0.112	23%	0.233	C	C	.	.	H	α-helix	trans	-77.4	-38.9	-176.2	-41.9	-162.8	29.4	0	0	110.4	P82 D83 V153 R156 R179	P82-Q85 HydrophobicContact CB-CG 4.33Å; P82-Q85 HydrophobicContact CG-CG 4.45Å; P82-Q85 PolarHBondContact O-N 3.27Å; D83-Q85 VanDerWaalsContact C-N 3.32Å; D83-Q85 PolarHBondContact O-N 3.4Å; Q85-V153 HydrophobicContact CB-CG2 4.2Å; Q85-V153 HydrophobicContact CG-CG2 3.76Å; Q85-R156 WeakPolarHBondContact O-CD 3.45Å; Q85-R156 PolarHBondContact O-NH1 3Å; Q85-R179 VanDerWaalsContact CD-NH1 3.3Å
86	L	64	Low	65.8	Low	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-42	175.3	-171.1	66.6	0	0	0	111.8	V75 E81 P82 D83 C89	V75-L86 HydrophobicContact CG1-CD1 4.21Å; V75-L86 HydrophobicContact CG1-CD2 4.27Å; V75-L86 HydrophobicContact CG1-CG 4.32Å; V75-L86 HydrophobicContact CG2-CD1 4.38Å; V75-L86 HydrophobicContact CG2-CG 4.23Å; E81-L86 HydrophobicContact CB-CB 4.28Å; P82-L86 PolarHBondContact O-N 2.86Å; D83-L86 PolarHBondContact O-N 3.23Å; L86-C89 PolarHBondContact O-SG 2.86Å
87	Y	67.5	Low	67.6	Low	5 Å²	5	39 Å²	39	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-87.7	-30.6	-175.7	-57.9	-25.4	0	0	0	113.9	D83 C89 S90 F577 R578 I592	D83-Y87 HydrophobicContact CB-CD2 4.28Å; D83-Y87 HydrophobicContact CB-CE2 3.87Å; D83-Y87 WeakPolarHBondContact O-CB 3.46Å; D83-Y87 WeakPolarHBondContact O-CD2 3.4Å; D83-Y87 PolarHBondContact O-N 3.01Å; Y87-C89 PolarHBondContact O-N 3.45Å; Y87-S90 PolarHBondContact O-N 2.84Å; Y87-S90 PolarHBondContact O-OG 2.83Å; Y87-F577 AromaticContact CD1-CD1 3.46Å; Y87-F577 HydrophobicContact CD1-CD1 3.46Å; Y87-F577 VanDerWaalsContact CD1-CD1 3.46Å; Y87-F577 AromaticContact CD1-CE1 3.3Å; Y87-F577 HydrophobicContact CD1-CE1 3.3Å; Y87-F577 HydrophobicContact CD1-CG 4.28Å; Y87-F577 HydrophobicContact CD1-CZ 4Å; Y87-F577 HydrophobicContact CD2-CB 3.99Å; Y87-F577 AromaticContact CD2-CD1 3.65Å; Y87-F577 HydrophobicContact CD2-CD1 3.65Å; Y87-F577 HydrophobicContact CD2-CE1 4.33Å; Y87-F577 AromaticContact CD2-CG 3.83Å; Y87-F577 HydrophobicContact CD2-CG 3.83Å; Y87-F577 AromaticContact CE1-CD1 3.8Å; Y87-F577 HydrophobicContact CE1-CD1 3.8Å; Y87-F577 AromaticContact CE1-CE1 3.82Å; Y87-F577 HydrophobicContact CE1-CE1 3.82Å; Y87-F577 HydrophobicContact CE2-CB 4.42Å; Y87-F577 AromaticContact CE2-CD1 3.97Å; Y87-F577 HydrophobicContact CE2-CD1 3.97Å; Y87-F577 HydrophobicContact CE2-CG 4.43Å; Y87-F577 HydrophobicContact CG-CB 4.42Å; Y87-F577 AromaticContact CG-CD1 3.4Å; Y87-F577 HydrophobicContact CG-CD1 3.4Å; Y87-F577 HydrophobicContact CG-CD2 4.21Å; Y87-F577 AromaticContact CG-CE1 3.61Å; Y87-F577 HydrophobicContact CG-CE1 3.61Å; Y87-F577 HydrophobicContact CG-CE2 4.39Å; Y87-F577 AromaticContact CG-CG 3.75Å; Y87-F577 HydrophobicContact CG-CG 3.75Å; Y87-F577 HydrophobicContact CG-CZ 4.12Å; Y87-R578 HydrophobicContact CE2-CB 4.29Å; Y87-I592 HydrophobicContact CD2-CD1 4.4Å
88	A	70.6	Confident	69.4	Low	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-26.7	-179.4	0	0	0	0	0	114.5	F84 S90 G91 V153 P157 I592 L593	F84-A88 WeakPolarHBondContact O-CB 3.39Å; F84-A88 PolarHBondContact O-N 3.42Å; A88-S90 PolarHBondContact O-N 3.37Å; A88-G91 PolarHBondContact O-N 3.29Å; A88-V153 HydrophobicContact CB-CG1 3.51Å; A88-P157 WeakPolarHBondContact O-CG 3.3Å; A88-I592 HydrophobicContact CB-CG2 4.26Å; A88-L593 HydrophobicContact CB-CD2 3.95Å
89	C	73.2	Confident	71	Confident	12 Å²	12	38 Å²	38	8%	0.081	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.3	-178.2	73.8	0	0	0	0	114.2	C74 L86 Y87 R156	C74-C89 HydrophobicContact CB-CB 4.48Å; C74-C89 WeakPolarHBondContact CB-SG 3.23Å; C74-C89 WeakPolarHBondContact SG-CB 3.19Å; C74-C89 PolarHBondContact SG-O 3.36Å; C74-C89 CovalentContact SG-SG 2.03Å; C74-C89 PolarHBondContact SG-SG 3.32Å; L86-C89 PolarHBondContact O-SG 2.86Å; Y87-C89 PolarHBondContact O-N 3.45Å; C89-R156 HydrophobicContact CB-CB 3.73Å
90	S	73.5	Confident	72.8	Confident	13 Å²	13	35.1 Å²	35.1	9%	0.091	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.1	169.7	64.9	0	0	0	0	113.9	Y87 A88 F577 N586	Y87-S90 PolarHBondContact O-N 2.84Å; Y87-S90 PolarHBondContact O-OG 2.83Å; A88-S90 PolarHBondContact O-N 3.37Å; S90-F577 WeakPolarHBondContact OG-CE2 3.43Å; S90-F577 WeakPolarHBondContact OG-CZ 3.48Å; S90-N586 WeakPolarHBondContact O-CA 3.06Å; S90-N586 PolarHBondContact O-OD1 3.14Å
91	G	73.4	Confident	74.4	Confident	6 Å²	6	37.3 Å²	37.3	6%	0.062	19%	0.188	C	C	.	.	S	Bend	trans	-74.6	158.3	172.1	0	0	0	0	0	112.9	A88 K93 P157 T590	A88-G91 PolarHBondContact O-N 3.29Å; G91-K93 PolarHBondContact O-N 2.9Å; G91-P157 VanDerWaalsContact O-CB 3.3Å; G91-P157 WeakPolarHBondContact O-CB 3.46Å; G91-P157 VanDerWaalsContact O-CG 3.3Å; G91-P157 WeakPolarHBondContact O-CG 3.35Å; G91-T590 WeakPolarHBondContact CA-OG1 3.24Å
92	S	80.9	Confident	75.8	Confident	47 Å²	47	40.6 Å²	40.6	33%	0.329	20%	0.203	S	C	.	.			trans	-56.2	130.7	-178.9	172	0	0	0	0	112.8	I94 T95 S96 T590	S92-I94 PolarHBondContact O-N 3.32Å; S92-I94 PolarHBondContact OG-N 2.8Å; S92-T95 PolarHBondContact O-N 3.22Å; S92-S96 VanDerWaalsContact O-CB 3.31Å; S92-S96 WeakPolarHBondContact O-CB 3.49Å; S92-S96 PolarHBondContact O-N 3.47Å; S92-T590 PolarHBondContact N-OG1 3.43Å
93	K	81.9	Confident	76.9	Confident	108 Å²	108	39.7 Å²	39.7	47%	0.47	20%	0.197	S	C	.	.	H	α-helix	trans	-56.7	-36.3	176	-60	-157.7	178.2	-145	0	112.4	G91 S96 W97 P157 L158 T160	G91-K93 PolarHBondContact O-N 2.9Å; K93-S96 WeakPolarHBondContact O-CB 3.32Å; K93-W97 WeakPolarHBondContact O-CB 3.25Å; K93-W97 PolarHBondContact O-N 2.93Å; K93-P157 VanDerWaalsContact CD-O 3.23Å; K93-P157 WeakPolarHBondContact CD-O 3.49Å; K93-P157 WeakPolarHBondContact CE-O 3.45Å; K93-P157 HydrophobicContact CG-CB 4.05Å; K93-P157 WeakPolarHBondContact CG-O 3.35Å; K93-P157 PolarHBondContact NZ-O 3.33Å; K93-L158 HydrophobicContact CB-CD2 4.5Å; K93-L158 VanDerWaalsContact O-CD2 3.28Å; K93-L158 WeakPolarHBondContact O-CD2 3.34Å; K93-T160 PolarHBondContact NZ-O 2.88Å
94	I	83.3	Confident	78	Confident	122 Å²	122	40.9 Å²	40.9	63%	0.626	21%	0.205	S	C	*	.	H	α-helix	trans	-67.1	-47.8	178.5	-60.2	172.6	0	0	0	110.4	S92 S96 W97 I98	S92-I94 PolarHBondContact O-N 3.32Å; S92-I94 PolarHBondContact OG-N 2.8Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 3.4Å; I94-W97 PolarHBondContact O-N 3.19Å; I94-I98 HydrophobicContact CG2-CD1 4Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 2.95Å; I94-I98 VanDerWaalsContact O-N 3.09Å
95	T	81.7	Confident	79.1	Confident	38 Å²	38	43.4 Å²	43.4	23%	0.233	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-38.5	178.8	-46.3	0	0	0	0	111.5	S92 A99 T590 I594	S92-T95 PolarHBondContact O-N 3.22Å; T95-A99 WeakPolarHBondContact O-CB 3.45Å; T95-A99 PolarHBondContact O-N 3.29Å; T95-T590 HydrophobicContact CG2-CG2 3.82Å; T95-I594 HydrophobicContact CG2-CD1 4.06Å; T95-I594 HydrophobicContact CG2-CG1 3.7Å
96	S	83.7	Confident	79.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-42.8	172.1	161.4	0	0	0	0	112.9	S92 K93 I94 S100 L154 L158	S92-S96 VanDerWaalsContact O-CB 3.31Å; S92-S96 WeakPolarHBondContact O-CB 3.49Å; S92-S96 PolarHBondContact O-N 3.47Å; K93-S96 WeakPolarHBondContact O-CB 3.32Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 3.4Å; S96-S100 VanDerWaalsContact O-CB 3.28Å; S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 2.9Å; S96-S100 PolarHBondContact O-OG 2.71Å; S96-L154 WeakPolarHBondContact CB-O 3.43Å; S96-L154 PolarHBondContact OG-O 3.49Å; S96-L158 WeakPolarHBondContact OG-CG 3.46Å
97	W	85.4	Confident	80.3	Confident	150 Å²	150	45.4 Å²	45.4	57%	0.568	23%	0.232	S	C	*	.	H	α-helix	trans	-64.3	-51.6	177.2	-171	80.2	0	0	0	111.7	K93 I94 A99 S100 I101 L158	K93-W97 WeakPolarHBondContact O-CB 3.25Å; K93-W97 PolarHBondContact O-N 2.93Å; I94-W97 PolarHBondContact O-N 3.19Å; W97-A99 PolarHBondContact O-N 2.86Å; W97-S100 PolarHBondContact O-N 3.4Å; W97-I101 HydrophobicContact CD2-CD1 3.74Å; W97-I101 HydrophobicContact CE3-CD1 4.13Å; W97-I101 HydrophobicContact CG-CD1 4.38Å; W97-I101 HydrophobicContact CH2-CD1 3.82Å; W97-I101 HydrophobicContact CZ2-CD1 3.39Å; W97-I101 HydrophobicContact CZ3-CD1 4.17Å; W97-I101 PolarHBondContact O-N 3.4Å; W97-L158 HydrophobicContact CB-CD2 3.83Å
98	I	86.5	Confident	81	Confident	98 Å²	98	49.1 Å²	49.1	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-48.1	178.6	-64.1	168.7	0	0	0	110.4	I94 S100 F102	I94-I98 HydrophobicContact CG2-CD1 4Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 2.95Å; I94-I98 VanDerWaalsContact O-N 3.09Å; I98-S100 PolarHBondContact O-N 2.92Å; I98-F102 WeakPolarHBondContact O-CB 3.26Å; I98-F102 PolarHBondContact O-N 2.95Å
99	A	84	Confident	81.3	Confident	6 Å²	6	55 Å²	55	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-47.7	177	0	0	0	0	0	112.4	T95 W97 L103 L154 T597	T95-A99 WeakPolarHBondContact O-CB 3.45Å; T95-A99 PolarHBondContact O-N 3.29Å; W97-A99 PolarHBondContact O-N 2.86Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.39Å; A99-L154 HydrophobicContact CB-CD1 4.5Å; A99-L154 HydrophobicContact CB-CD2 4.46Å; A99-T597 HydrophobicContact CB-CG2 4.17Å; A99-T597 WeakPolarHBondContact CB-OG1 3.41Å
100	S	84.5	Confident	81	Confident	11 Å²	11	54.5 Å²	54.5	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-48.7	-177.4	-61.5	0	0	0	0	111.9	S96 W97 I98 V104 L154	S96-S100 VanDerWaalsContact O-CB 3.28Å; S96-S100 WeakPolarHBondContact O-CB 3.34Å; S96-S100 PolarHBondContact O-N 2.9Å; S96-S100 PolarHBondContact O-OG 2.71Å; W97-S100 PolarHBondContact O-N 3.4Å; I98-S100 PolarHBondContact O-N 2.92Å; S100-V104 WeakPolarHBondContact O-CB 3.41Å; S100-V104 VanDerWaalsContact O-CG2 3.31Å; S100-V104 WeakPolarHBondContact O-CG2 3.33Å; S100-V104 PolarHBondContact O-N 3.01Å; S100-L154 PolarHBondContact OG-O 3.28Å
101	I	86.6	Confident	81	Confident	76 Å²	76	55.2 Å²	55.2	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-44	178.7	-68.4	177.7	0	0	0	111	W97 L103 V104 T105	W97-I101 HydrophobicContact CD2-CD1 3.74Å; W97-I101 HydrophobicContact CE3-CD1 4.13Å; W97-I101 HydrophobicContact CG-CD1 4.38Å; W97-I101 HydrophobicContact CH2-CD1 3.82Å; W97-I101 HydrophobicContact CZ2-CD1 3.39Å; W97-I101 HydrophobicContact CZ3-CD1 4.17Å; W97-I101 PolarHBondContact O-N 3.4Å; I101-L103 PolarHBondContact O-N 3.36Å; I101-V104 PolarHBondContact O-N 3.13Å; I101-T105 HydrophobicContact CG2-CG2 4.35Å; I101-T105 WeakPolarHBondContact O-CB 3.43Å; I101-T105 WeakPolarHBondContact O-CG2 3.32Å; I101-T105 PolarHBondContact O-N 2.94Å; I101-T105 PolarHBondContact O-OG1 3.08Å
102	F	85.1	Confident	81.1	Confident	86 Å²	86	59.3 Å²	59.3	38%	0.377	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-43	-179.9	-179.2	-117.1	0	0	0	112.3	I98 T105 M106 T597 T601	I98-F102 WeakPolarHBondContact O-CB 3.26Å; I98-F102 PolarHBondContact O-N 2.95Å; F102-T105 PolarHBondContact O-OG1 3.24Å; F102-T105 VanDerWaalsContact O-OG1 3.06Å; F102-M106 HydrophobicContact CD2-CG 4.37Å; F102-M106 HydrophobicContact CE2-CE 4.12Å; F102-M106 HydrophobicContact CE2-CG 4.1Å; F102-M106 HydrophobicContact CZ-CG 4.32Å; F102-M106 VanDerWaalsContact O-CB 3.31Å; F102-M106 WeakPolarHBondContact O-CB 3.41Å; F102-M106 VanDerWaalsContact O-CG 3.31Å; F102-M106 WeakPolarHBondContact O-CG 3.27Å; F102-M106 PolarHBondContact O-N 2.95Å; F102-T597 HydrophobicContact CD1-CG2 3.98Å; F102-T601 HydrophobicContact CE1-CG2 3.66Å; F102-T601 VanDerWaalsContact CE1-OG1 3.3Å; F102-T601 WeakPolarHBondContact CE1-OG1 3.29Å; F102-T601 HydrophobicContact CZ-CG2 3.94Å
103	L	81.6	Confident	80.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-74.3	-34.1	177.7	-101.3	167.7	0	0	0	113.8	A99 I101 S107 V150 L154 T597 H600	A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.39Å; I101-L103 PolarHBondContact O-N 3.36Å; L103-S107 WeakPolarHBondContact O-CB 3.37Å; L103-S107 PolarHBondContact O-N 2.89Å; L103-S107 PolarHBondContact O-OG 3.43Å; L103-V150 HydrophobicContact CB-CG2 3.68Å; L103-L154 HydrophobicContact CD1-CD1 3.43Å; L103-L154 VanDerWaalsContact CD1-CD1 3.43Å; L103-T597 HydrophobicContact CD1-CG2 4.05Å; L103-T597 HydrophobicContact CG-CG2 4.35Å; L103-H600 HydrophobicContact CD1-CB 3.88Å; L103-H600 HydrophobicContact CD2-CB 3.74Å; L103-H600 HydrophobicContact CG-CB 4.49Å
104	V	85	Confident	79.6	Confident	34 Å²	34	55.6 Å²	55.6	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-50.3	173.9	166.2	0	0	0	0	110.5	S100 I101 M106 S107 I108 V150	S100-V104 WeakPolarHBondContact O-CB 3.41Å; S100-V104 VanDerWaalsContact O-CG2 3.31Å; S100-V104 WeakPolarHBondContact O-CG2 3.33Å; S100-V104 PolarHBondContact O-N 3.01Å; I101-V104 PolarHBondContact O-N 3.13Å; V104-M106 PolarHBondContact O-N 3.39Å; V104-S107 PolarHBondContact O-N 3.41Å; V104-I108 HydrophobicContact CG1-CD1 3.58Å; V104-I108 HydrophobicContact CG1-CG1 4.36Å; V104-I108 WeakPolarHBondContact O-CB 3.47Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.49Å; V104-I108 PolarHBondContact O-N 3.41Å; V104-V150 HydrophobicContact CG2-CB 4.18Å; V104-V150 HydrophobicContact CG2-CG1 3.79Å; V104-V150 HydrophobicContact CG2-CG2 4.1Å
105	T	84.7	Confident	78.8	Confident	74 Å²	74	52.4 Å²	52.4	45%	0.454	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-44.6	179.4	50.5	0	0	0	0	112.1	I101 F102 S107 F109	I101-T105 HydrophobicContact CG2-CG2 4.35Å; I101-T105 WeakPolarHBondContact O-CB 3.43Å; I101-T105 WeakPolarHBondContact O-CG2 3.32Å; I101-T105 PolarHBondContact O-N 2.94Å; I101-T105 PolarHBondContact O-OG1 3.08Å; F102-T105 PolarHBondContact O-OG1 3.24Å; F102-T105 VanDerWaalsContact O-OG1 3.06Å; T105-S107 PolarHBondContact O-N 3.25Å; T105-F109 VanDerWaalsContact O-CB 3.31Å; T105-F109 WeakPolarHBondContact O-CB 3.36Å; T105-F109 PolarHBondContact O-N 3.32Å
106	M	77	Confident	78.1	Confident	67 Å²	67	55.8 Å²	55.8	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-38.4	174.4	-76.5	-70.6	149.1	0	0	113.2	F102 V104 G110 A604	F102-M106 HydrophobicContact CD2-CG 4.37Å; F102-M106 HydrophobicContact CE2-CE 4.12Å; F102-M106 HydrophobicContact CE2-CG 4.1Å; F102-M106 HydrophobicContact CZ-CG 4.32Å; F102-M106 VanDerWaalsContact O-CB 3.31Å; F102-M106 WeakPolarHBondContact O-CB 3.41Å; F102-M106 VanDerWaalsContact O-CG 3.31Å; F102-M106 WeakPolarHBondContact O-CG 3.27Å; F102-M106 PolarHBondContact O-N 2.95Å; V104-M106 PolarHBondContact O-N 3.39Å; M106-G110 PolarHBondContact O-N 3.33Å; M106-A604 HydrophobicContact CB-CB 4.36Å
107	S	77	Confident	77	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-45.5	178.6	-59.8	0	0	0	0	111.6	L103 V104 T105 G110 I111	L103-S107 WeakPolarHBondContact O-CB 3.37Å; L103-S107 PolarHBondContact O-N 2.89Å; L103-S107 PolarHBondContact O-OG 3.43Å; V104-S107 PolarHBondContact O-N 3.41Å; T105-S107 PolarHBondContact O-N 3.25Å; S107-G110 PolarHBondContact O-N 2.82Å; S107-I111 WeakPolarHBondContact O-CB 3.43Å; S107-I111 WeakPolarHBondContact O-CD1 3.27Å; S107-I111 WeakPolarHBondContact O-CG1 3.3Å; S107-I111 PolarHBondContact O-N 3.38Å
108	I	81.2	Confident	75.8	Confident	83 Å²	83	55.3 Å²	55.3	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-47.1	175.2	-69.7	171.4	0	0	0	110.3	V104 G110 I111 I112	V104-I108 HydrophobicContact CG1-CD1 3.58Å; V104-I108 HydrophobicContact CG1-CG1 4.36Å; V104-I108 WeakPolarHBondContact O-CB 3.47Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.49Å; V104-I108 PolarHBondContact O-N 3.41Å; I108-G110 PolarHBondContact O-N 2.84Å; I108-I111 PolarHBondContact O-N 3.48Å; I108-I112 HydrophobicContact CG2-CD1 3.66Å; I108-I112 HydrophobicContact CG2-CG1 4.37Å; I108-I112 WeakPolarHBondContact O-CB 3.24Å; I108-I112 VanDerWaalsContact O-CG1 3.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.41Å; I108-I112 PolarHBondContact O-N 3.01Å
109	F	76.6	Confident	74.4	Confident	123 Å²	123	52 Å²	52	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.8	-174.9	-99.2	0	0	0	112.4	T105 K113	T105-F109 VanDerWaalsContact O-CB 3.31Å; T105-F109 WeakPolarHBondContact O-CB 3.36Å; T105-F109 PolarHBondContact O-N 3.32Å; F109-K113 HydrophobicContact CE1-CD 4.4Å; F109-K113 VanDerWaalsContact O-CB 3.25Å; F109-K113 WeakPolarHBondContact O-CB 3.46Å; F109-K113 PolarHBondContact O-N 3.33Å
110	G	68.1	Low	73.5	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-40	175.4	0	0	0	0	0	113.3	M106 S107 I108 C114	M106-G110 PolarHBondContact O-N 3.33Å; S107-G110 PolarHBondContact O-N 2.82Å; I108-G110 PolarHBondContact O-N 2.84Å; G110-C114 WeakPolarHBondContact O-CB 3.46Å; G110-C114 PolarHBondContact O-N 3.01Å; G110-C114 PolarHBondContact O-SG 3.27Å
111	I	72.9	Confident	72.1	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-52	175.4	-74.3	163	0	0	0	110.6	S107 I108 K113 C114 L115 F139 L142 T143 L147	S107-I111 WeakPolarHBondContact O-CB 3.43Å; S107-I111 WeakPolarHBondContact O-CD1 3.27Å; S107-I111 WeakPolarHBondContact O-CG1 3.3Å; S107-I111 PolarHBondContact O-N 3.38Å; I108-I111 PolarHBondContact O-N 3.48Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.42Å; I111-C114 PolarHBondContact O-N 3.37Å; I111-C114 VanDerWaalsContact O-N 3.17Å; I111-L115 HydrophobicContact CG2-CD1 3.7Å; I111-L115 HydrophobicContact CG2-CG 4.47Å; I111-L115 VanDerWaalsContact O-CG 3.29Å; I111-L115 WeakPolarHBondContact O-CG 3.08Å; I111-L115 PolarHBondContact O-N 2.98Å; I111-F139 HydrophobicContact CG2-CE2 4.19Å; I111-L142 HydrophobicContact CD1-CB 4.2Å; I111-L142 HydrophobicContact CG1-CB 4.02Å; I111-L142 HydrophobicContact CG1-CD1 4.35Å; I111-T143 HydrophobicContact CD1-CG2 3.63Å; I111-T143 HydrophobicContact CG1-CG2 4.03Å; I111-L147 HydrophobicContact CD1-CD1 3.6Å
112	I	75	Confident	70.6	Confident	92 Å²	92	62.6 Å²	62.6	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-57.3	-46.8	177.4	-69.1	169.7	0	0	0	110.2	I108 C114 L115 T116	I108-I112 HydrophobicContact CG2-CD1 3.66Å; I108-I112 HydrophobicContact CG2-CG1 4.37Å; I108-I112 WeakPolarHBondContact O-CB 3.24Å; I108-I112 VanDerWaalsContact O-CG1 3.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.41Å; I108-I112 PolarHBondContact O-N 3.01Å; I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 3.04Å; I112-L115 PolarHBondContact O-N 2.97Å; I112-L115 VanDerWaalsContact O-N 3.15Å; I112-T116 HydrophobicContact CG2-CG2 4.27Å; I112-T116 WeakPolarHBondContact O-CG2 3.38Å; I112-T116 PolarHBondContact O-N 3.34Å; I112-T116 PolarHBondContact O-OG1 2.88Å; I112-T116 VanDerWaalsContact O-OG1 3.12Å
113	K	66.5	Low	69.2	Low	68 Å²	68	59.5 Å²	59.5	30%	0.296	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-35.6	178.8	-169.8	178.7	-178.4	-176.6	0	113	F109 I111 T116 A117 T608	F109-K113 HydrophobicContact CE1-CD 4.4Å; F109-K113 VanDerWaalsContact O-CB 3.25Å; F109-K113 WeakPolarHBondContact O-CB 3.46Å; F109-K113 PolarHBondContact O-N 3.33Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.42Å; K113-T116 PolarHBondContact O-OG1 3.49Å; K113-A117 WeakPolarHBondContact O-CB 3.35Å; K113-A117 PolarHBondContact O-N 3.1Å; K113-A117 VanDerWaalsContact O-N 3.13Å; K113-T608 HydrophobicContact CD-CG2 4.36Å
114	C	64.5	Low	67.7	Low	10 Å²	10	64.5 Å²	64.5	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-67.7	-40	172.8	-74.2	0	0	0	0	112.1	G110 I111 I112 H118 F139	G110-C114 WeakPolarHBondContact O-CB 3.46Å; G110-C114 PolarHBondContact O-N 3.01Å; G110-C114 PolarHBondContact O-SG 3.27Å; I111-C114 PolarHBondContact O-N 3.37Å; I111-C114 VanDerWaalsContact O-N 3.17Å; I112-C114 VanDerWaalsContact C-N 3.34Å; I112-C114 PolarHBondContact O-N 3.04Å; C114-H118 PolarHBondContact O-CD2 3.14Å; C114-H118 PolarHBondContact O-N 3.18Å; C114-F139 HydrophobicContact CB-CD2 4.24Å
115	L	68.3	Low	65.7	Low	55 Å²	55	65.4 Å²	65.4	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-68.6	-45.5	179.8	-70.5	165.4	0	0	0	111.9	I111 I112 G119 I120 I123 F139	I111-L115 HydrophobicContact CG2-CD1 3.7Å; I111-L115 HydrophobicContact CG2-CG 4.47Å; I111-L115 VanDerWaalsContact O-CG 3.29Å; I111-L115 WeakPolarHBondContact O-CG 3.08Å; I111-L115 PolarHBondContact O-N 2.98Å; I112-L115 PolarHBondContact O-N 2.97Å; I112-L115 VanDerWaalsContact O-N 3.15Å; L115-G119 VanDerWaalsContact O-CA 3.27Å; L115-G119 WeakPolarHBondContact O-CA 3.23Å; L115-G119 PolarHBondContact O-N 2.97Å; L115-I120 HydrophobicContact CD2-CG1 3.72Å; L115-I123 HydrophobicContact CD2-CD1 3.8Å; L115-F139 HydrophobicContact CD2-CE2 4.22Å; L115-F139 HydrophobicContact CG-CE2 4.3Å
116	T	67.3	Low	63.7	Low	109 Å²	109	67.1 Å²	67.1	67%	0.669	36%	0.356	S	S	*	.	H	α-helix	trans	-71.1	-41.6	179.8	55.5	0	0	0	0	112.6	I112 K113 H118	I112-T116 HydrophobicContact CG2-CG2 4.27Å; I112-T116 WeakPolarHBondContact O-CG2 3.38Å; I112-T116 PolarHBondContact O-N 3.34Å; I112-T116 PolarHBondContact O-OG1 2.88Å; I112-T116 VanDerWaalsContact O-OG1 3.12Å; K113-T116 PolarHBondContact O-OG1 3.49Å; T116-H118 VanDerWaalsContact C-N 3.27Å; T116-H118 PolarHBondContact O-N 3.3Å
117	A	60.6	Low	61.9	Low	55 Å²	55	74.7 Å²	74.7	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-71.8	-17.3	-177.5	0	0	0	0	0	114.3	K113	K113-A117 WeakPolarHBondContact O-CB 3.35Å; K113-A117 PolarHBondContact O-N 3.1Å; K113-A117 VanDerWaalsContact O-N 3.13Å
118	H	58.6	Low	60.2	Low	84 Å²	84	81.6 Å²	81.6	39%	0.389	41%	0.407	S	S	.	.	H	α-helix	trans	-129.9	-25.4	-174.1	-60.4	-45.1	0	0	0	115.3	C114 T116 N122 R136	C114-H118 PolarHBondContact O-CD2 3.14Å; C114-H118 PolarHBondContact O-N 3.18Å; T116-H118 VanDerWaalsContact C-N 3.27Å; T116-H118 PolarHBondContact O-N 3.3Å; H118-N122 VanDerWaalsContact O-CB 3.31Å; H118-N122 WeakPolarHBondContact O-CB 3.29Å; H118-N122 PolarHBondContact O-ND2 3.38Å; H118-R136 PolarHBondContact CD2-NE 3.49Å; H118-R136 PolarHBondContact NE2-NH2 3.43Å
119	G	58.5	Low	57.8	Low	30 Å²	30	83.6 Å²	83.6	31%	0.309	42%	0.423	S	S	.	.			trans	75.2	138.6	-173	0	0	0	0	0	112.5	L115 L121 N122	L115-G119 VanDerWaalsContact O-CA 3.27Å; L115-G119 WeakPolarHBondContact O-CA 3.23Å; L115-G119 PolarHBondContact O-N 2.97Å; G119-L121 VanDerWaalsContact C-N 3.29Å; G119-L121 PolarHBondContact O-N 3.1Å; G119-L121 VanDerWaalsContact O-N 3.15Å; G119-N122 PolarHBondContact O-N 3.26Å
120	I	64.6	Low	55.9	Low	116 Å²	116	80 Å²	80	60%	0.595	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-48.1	-173.4	-68.2	159.5	0	0	0	112.6	L115 N122 I123	L115-I120 HydrophobicContact CD2-CG1 3.72Å; I120-N122 VanDerWaalsContact C-N 3.34Å; I120-N122 PolarHBondContact O-N 3Å; I120-I123 WeakPolarHBondContact O-CB 3.28Å; I120-I123 PolarHBondContact O-N 3.04Å
121	L	55.8	Low	54.2	Low	149 Å²	149	81 Å²	81	78%	0.78	43%	0.425	S	S	*	.	H	α-helix	trans	-63	-33.9	-177	-69.2	165.3	0	0	0	113.8	G119 I123 F124 D125	G119-L121 VanDerWaalsContact C-N 3.29Å; G119-L121 PolarHBondContact O-N 3.1Å; G119-L121 VanDerWaalsContact O-N 3.15Å; L121-I123 VanDerWaalsContact C-N 3.26Å; L121-I123 PolarHBondContact O-N 3Å; L121-F124 PolarHBondContact O-N 3.23Å; L121-D125 PolarHBondContact O-N 2.73Å
122	N	54.1	Low	52.3	Low	49 Å²	49	81.6 Å²	81.6	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-78.7	-6.9	-178.8	-68.6	-66.5	0	0	0	114	H118 G119 I120 R128	H118-N122 VanDerWaalsContact O-CB 3.31Å; H118-N122 WeakPolarHBondContact O-CB 3.29Å; H118-N122 PolarHBondContact O-ND2 3.38Å; G119-N122 PolarHBondContact O-N 3.26Å; I120-N122 VanDerWaalsContact C-N 3.34Å; I120-N122 PolarHBondContact O-N 3Å; N122-R128 PolarHBondContact OD1-NH1 2.79Å
123	I	55.5	Low	50.3	Low	21 Å²	21	81 Å²	81	11%	0.108	43%	0.426	C	S	.	.	H	α-helix	trans	-77.5	-33.8	174.5	-64.1	173.6	0	0	0	110.2	L115 I120 L121 F139	L115-I123 HydrophobicContact CD2-CD1 3.8Å; I120-I123 WeakPolarHBondContact O-CB 3.28Å; I120-I123 PolarHBondContact O-N 3.04Å; L121-I123 VanDerWaalsContact C-N 3.26Å; L121-I123 PolarHBondContact O-N 3Å; I123-F139 HydrophobicContact CD1-CD2 4.4Å; I123-F139 HydrophobicContact CD1-CE2 4.39Å; I123-F139 HydrophobicContact CG2-CD1 4.18Å; I123-F139 HydrophobicContact CG2-CE1 4.47Å; I123-F139 HydrophobicContact CG2-CG 4.49Å
124	F	51.2	Low	49.1	Very low	105 Å²	105	78.6 Å²	78.6	46%	0.461	42%	0.417	S	S	.	.	H	α-helix	trans	-107.3	-18.3	-173.5	-58.7	-78.5	0	0	0	114.8	L121 L126 F139 F140	L121-F124 PolarHBondContact O-N 3.23Å; F124-L126 PolarHBondContact O-N 2.82Å; F124-F139 HydrophobicContact CZ-CE1 4.36Å; F124-F140 HydrophobicContact CD1-CZ 4.48Å; F124-F140 HydrophobicContact CE1-CE1 4.5Å; F124-F140 AromaticContact CE1-CZ 3.94Å; F124-F140 HydrophobicContact CE1-CZ 3.94Å
125	D	41.4	Very low	48.3	Very low	54 Å²	54	83.3 Å²	83.3	29%	0.289	44%	0.437	S	S	.	.			trans	-68.5	106.2	-179	-179.8	24.3	0	0	0	113.7	L121 R127	L121-D125 PolarHBondContact O-N 2.73Å; D125-R127 VanDerWaalsContact C-N 3.34Å; D125-R127 WeakPolarHBondContact OD1-CB 3.22Å; D125-R127 PolarHBondContact OD1-N 3.16Å
126	L	44	Very low	47.6	Very low	109 Å²	109	83.6 Å²	83.6	57%	0.571	43%	0.434	S	S	*	.			trans	-72.5	-17	175	-77.9	144.6	0	0	0	114.6	F124 F133	F124-L126 PolarHBondContact O-N 2.82Å; L126-F133 HydrophobicContact CD1-CE2 4.36Å; L126-F133 HydrophobicContact CD2-CB 3.71Å; L126-F133 HydrophobicContact CD2-CD1 4.21Å; L126-F133 HydrophobicContact CD2-CD2 3.41Å; L126-F133 VanDerWaalsContact CD2-CD2 3.41Å; L126-F133 HydrophobicContact CD2-CE2 4Å; L126-F133 HydrophobicContact CD2-CG 3.52Å; L126-F133 HydrophobicContact CG-CD2 3.68Å; L126-F133 HydrophobicContact CG-CE2 3.87Å; L126-F133 HydrophobicContact CG-CG 4.3Å
127	R	38.2	Very low	47	Very low	226 Å²	226	79.6 Å²	79.6	85%	0.853	41%	0.41	S	S	*	.			trans	-87.8	-27.3	-163	-61.2	-176.6	178.3	-177	1.1	114.3	D125 T129	D125-R127 VanDerWaalsContact C-N 3.34Å; D125-R127 WeakPolarHBondContact OD1-CB 3.22Å; D125-R127 PolarHBondContact OD1-N 3.16Å; R127-T129 PolarHBondContact O-N 3.39Å
128	R	40.5	Very low	46.9	Very low	146 Å²	146	78.4 Å²	78.4	55%	0.551	40%	0.395	S	S	*	.	S	Bend	trans	-62.9	131.6	-179.6	-86.9	172.1	161.6	-170.4	-9.7	112.2	N122 I131	N122-R128 PolarHBondContact OD1-NH1 2.79Å; R128-I131 HydrophobicContact CB-CD1 3.57Å; R128-I131 HydrophobicContact CB-CG1 4.38Å; R128-I131 WeakPolarHBondContact O-CB 3.08Å; R128-I131 WeakPolarHBondContact O-CG1 3.41Å; R128-I131 PolarHBondContact O-N 2.96Å
129	T	32.2	Very low	47.2	Very low	125 Å²	125	75.7 Å²	75.7	77%	0.767	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	143.9	-173.4	40.6	0	0	0	0	112.5	R127 I131	R127-T129 PolarHBondContact O-N 3.39Å; T129-I131 VanDerWaalsContact C-N 3.34Å
130	G	36.1	Very low	47.4	Very low	48 Å²	48	76.9 Å²	76.9	50%	0.495	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-6.6	-173.9	0	0	0	0	0	115.2
131	I	32.5	Very low	47.3	Very low	23 Å²	23	71.6 Å²	71.6	12%	0.118	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-80.2	131.4	176.6	-60.9	178.9	0	0	0	111	R128 T129 K135 R472	R128-I131 HydrophobicContact CB-CD1 3.57Å; R128-I131 HydrophobicContact CB-CG1 4.38Å; R128-I131 WeakPolarHBondContact O-CB 3.08Å; R128-I131 WeakPolarHBondContact O-CG1 3.41Å; R128-I131 PolarHBondContact O-N 2.96Å; T129-I131 VanDerWaalsContact C-N 3.34Å; I131-K135 HydrophobicContact CD1-CD 4.16Å; I131-K135 HydrophobicContact CG1-CD 4.36Å; I131-K135 HydrophobicContact CG2-CB 4.35Å; I131-K135 HydrophobicContact CG2-CG 4.41Å; I131-R472 PolarHBondContact O-NE 3.14Å
132	S	32.7	Very low	47.9	Very low	39 Å²	39	64.6 Å²	64.6	27%	0.273	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-99.8	133.3	153.5	52.6	0	0	0	0	108.4	P134 K135	S132-P134 CarbonylContact O-C 3.5Å; S132-K135 PolarHBondContact O-N 3.19Å
133	F	33.2	Very low	48.7	Very low	80 Å²	80	64.3 Å²	64.3	35%	0.351	32%	0.315	S	S	.	.	S	Bend	trans	-94	141.8	-177.4	-169.7	-92.2	0	0	0	111.3	L126 Y479	L126-F133 HydrophobicContact CD1-CE2 4.36Å; L126-F133 HydrophobicContact CD2-CB 3.71Å; L126-F133 HydrophobicContact CD2-CD1 4.21Å; L126-F133 HydrophobicContact CD2-CD2 3.41Å; L126-F133 VanDerWaalsContact CD2-CD2 3.41Å; L126-F133 HydrophobicContact CD2-CE2 4Å; L126-F133 HydrophobicContact CD2-CG 3.52Å; L126-F133 HydrophobicContact CG-CD2 3.68Å; L126-F133 HydrophobicContact CG-CE2 3.87Å; L126-F133 HydrophobicContact CG-CG 4.3Å; F133-Y479 WeakPolarHBondContact O-CD2 3.07Å; F133-Y479 WeakPolarHBondContact O-CE2 3.48Å
134	P	41.9	Very low	49.2	Very low	18 Å²	18	65.4 Å²	65.4	12%	0.117	32%	0.324	C	S	.	.	S	Bend	cis	-69.8	144.6	-13.7	-11.6	28.7	0	0	0	110.5	S132 R136 F140 Y479	S132-P134 CarbonylContact O-C 3.5Å; P134-R136 PolarHBondContact O-N 3Å; P134-R136 VanDerWaalsContact O-N 3.14Å; P134-F140 HydrophobicContact CB-CD2 4.06Å; P134-F140 HydrophobicContact CB-CE2 3.94Å; P134-F140 HydrophobicContact CG-CD2 4.26Å; P134-F140 HydrophobicContact CG-CE2 4.32Å; P134-Y479 VanDerWaalsContact CD-CZ 3.46Å; P134-Y479 HydrophobicContact CG-CE1 4.45Å
135	K	46.9	Very low	50.1	Low	108 Å²	108	60.4 Å²	60.4	47%	0.47	30%	0.303	S	S	.	.	S	Bend	trans	-61.5	-24.6	179.7	-159.9	178.3	-173.3	179.3	0	112.5	I131 S132	I131-K135 HydrophobicContact CD1-CD 4.16Å; I131-K135 HydrophobicContact CG1-CD 4.36Å; I131-K135 HydrophobicContact CG2-CB 4.35Å; I131-K135 HydrophobicContact CG2-CG 4.41Å; S132-K135 PolarHBondContact O-N 3.19Å
136	R	53.9	Low	51.5	Low	61 Å²	61	57.9 Å²	57.9	23%	0.23	29%	0.289	C	S	.	.			trans	-145.3	105.8	173.5	-67.8	-172.8	173.7	-70.8	-3.3	109.3	H118 P134 E138 T611	H118-R136 PolarHBondContact CD2-NE 3.49Å; H118-R136 PolarHBondContact NE2-NH2 3.43Å; P134-R136 PolarHBondContact O-N 3Å; P134-R136 VanDerWaalsContact O-N 3.14Å; R136-E138 HydrophobicContact CB-CB 4.29Å; R136-E138 VanDerWaalsContact CD-OE2 3.26Å; R136-E138 WeakPolarHBondContact CD-OE2 3.21Å; R136-E138 WeakPolarHBondContact CG-OE2 3.38Å; R136-E138 IonicContact CZ-OE2 3.6Å; R136-E138 IonicContact NE-OE2 3.5Å; R136-E138 IonicContact NH1-OE1 2.72Å; R136-E138 IonicContact NH1-OE2 2.67Å; R136-E138 PolarHBondContact NH1-OE2 3.43Å; R136-E138 PolarHBondContact O-N 2.92Å; R136-T611 VanDerWaalsContact NH2-CG2 3.29Å
137	P	54.5	Low	52.9	Low	26 Å²	26	54.5 Å²	54.5	17%	0.169	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-27.2	171.6	26.3	-33.3	0	0	0	111.2	F139 F140 V141	P137-F139 VanDerWaalsContact C-N 3.3Å; P137-F139 PolarHBondContact O-N 3.16Å; P137-F140 PolarHBondContact O-N 3.49Å; P137-V141 WeakPolarHBondContact O-CG2 3.45Å; P137-V141 PolarHBondContact O-N 3.4Å
138	E	59	Low	54.5	Low	29 Å²	29	45 Å²	45	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-38.3	-51.6	174.7	-61.5	150.2	-172.1	0	0	113.9	R136 V141 L142	R136-E138 HydrophobicContact CB-CB 4.29Å; R136-E138 VanDerWaalsContact CD-OE2 3.26Å; R136-E138 WeakPolarHBondContact CD-OE2 3.21Å; R136-E138 WeakPolarHBondContact CG-OE2 3.38Å; R136-E138 IonicContact CZ-OE2 3.6Å; R136-E138 IonicContact NE-OE2 3.5Å; R136-E138 IonicContact NH1-OE1 2.72Å; R136-E138 IonicContact NH1-OE2 2.67Å; R136-E138 PolarHBondContact NH1-OE2 3.43Å; R136-E138 PolarHBondContact O-N 2.92Å; E138-V141 PolarHBondContact O-N 3.02Å; E138-L142 WeakPolarHBondContact O-CG 3.29Å; E138-L142 PolarHBondContact O-N 3.36Å
139	F	63.4	Low	56.1	Low	27 Å²	27	38 Å²	38	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-47.1	-178.9	179.8	-94.5	0	0	0	111.7	I111 C114 L115 I123 F124 P137 L142 T143	I111-F139 HydrophobicContact CG2-CE2 4.19Å; C114-F139 HydrophobicContact CB-CD2 4.24Å; L115-F139 HydrophobicContact CD2-CE2 4.22Å; L115-F139 HydrophobicContact CG-CE2 4.3Å; I123-F139 HydrophobicContact CD1-CD2 4.4Å; I123-F139 HydrophobicContact CD1-CE2 4.39Å; I123-F139 HydrophobicContact CG2-CD1 4.18Å; I123-F139 HydrophobicContact CG2-CE1 4.47Å; I123-F139 HydrophobicContact CG2-CG 4.49Å; F124-F139 HydrophobicContact CZ-CE1 4.36Å; P137-F139 VanDerWaalsContact C-N 3.3Å; P137-F139 PolarHBondContact O-N 3.16Å; F139-L142 PolarHBondContact O-N 3.45Å; F139-T143 HydrophobicContact CE1-CG2 4.24Å; F139-T143 HydrophobicContact CE2-CG2 4.36Å; F139-T143 HydrophobicContact CZ-CG2 4.11Å; F139-T143 PolarHBondContact O-N 3.11Å; F139-T143 PolarHBondContact O-OG1 3.38Å
140	F	63.3	Low	58.1	Low	56 Å²	56	32.2 Å²	32.2	25%	0.246	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-31.9	177.7	-70	-85.9	0	0	0	112.8	F124 P134 P137 C144	F124-F140 HydrophobicContact CD1-CZ 4.48Å; F124-F140 HydrophobicContact CE1-CE1 4.5Å; F124-F140 AromaticContact CE1-CZ 3.94Å; F124-F140 HydrophobicContact CE1-CZ 3.94Å; P134-F140 HydrophobicContact CB-CD2 4.06Å; P134-F140 HydrophobicContact CB-CE2 3.94Å; P134-F140 HydrophobicContact CG-CD2 4.26Å; P134-F140 HydrophobicContact CG-CE2 4.32Å; P137-F140 PolarHBondContact O-N 3.49Å; F140-C144 WeakPolarHBondContact O-CA 3.47Å; F140-C144 WeakPolarHBondContact O-CB 3.3Å; F140-C144 PolarHBondContact O-N 2.83Å
141	V	63.5	Low	59.9	Low	5 Å²	5	35 Å²	35	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-45.9	172.3	-171.8	0	0	0	0	110.1	P137 E138 S145 S146 T186 F603	P137-V141 WeakPolarHBondContact O-CG2 3.45Å; P137-V141 PolarHBondContact O-N 3.4Å; E138-V141 PolarHBondContact O-N 3.02Å; V141-S145 WeakPolarHBondContact O-CA 3.31Å; V141-S145 WeakPolarHBondContact O-CB 3.24Å; V141-S145 PolarHBondContact O-N 3.14Å; V141-S145 VanDerWaalsContact O-N 3.08Å; V141-S146 PolarHBondContact O-N 3.01Å; V141-T186 HydrophobicContact CG2-CG2 4.06Å; V141-F603 HydrophobicContact CG1-CB 3.98Å; V141-F603 HydrophobicContact CG1-CD1 3.93Å; V141-F603 HydrophobicContact CG1-CG 3.96Å; V141-F603 HydrophobicContact CG2-CD1 4.33Å
142	L	67.4	Low	61.6	Low	1 Å²	1	34 Å²	34	1%	0.005	17%	0.171	C	C	.	.	I	π-helix	trans	-66.3	-42.6	-178.5	-67.7	176.2	0	0	0	112.6	I111 E138 F139 L147 A604	I111-L142 HydrophobicContact CD1-CB 4.2Å; I111-L142 HydrophobicContact CG1-CB 4.02Å; I111-L142 HydrophobicContact CG1-CD1 4.35Å; E138-L142 WeakPolarHBondContact O-CG 3.29Å; E138-L142 PolarHBondContact O-N 3.36Å; F139-L142 PolarHBondContact O-N 3.45Å; L142-L147 WeakPolarHBondContact O-CB 3.39Å; L142-L147 PolarHBondContact O-N 2.81Å; L142-A604 HydrophobicContact CD2-CB 3.88Å
143	T	70.7	Confident	63.4	Low	43 Å²	43	32.2 Å²	32.2	26%	0.264	16%	0.158	S	C	.	.	I	π-helix	trans	-83.4	-39	-178	54.8	0	0	0	0	114.2	I111 F139 P148	I111-T143 HydrophobicContact CD1-CG2 3.63Å; I111-T143 HydrophobicContact CG1-CG2 4.03Å; F139-T143 HydrophobicContact CE1-CG2 4.24Å; F139-T143 HydrophobicContact CE2-CG2 4.36Å; F139-T143 HydrophobicContact CZ-CG2 4.11Å; F139-T143 PolarHBondContact O-N 3.11Å; F139-T143 PolarHBondContact O-OG1 3.38Å; T143-P148 VanDerWaalsContact O-CD 3.27Å; T143-P148 WeakPolarHBondContact O-CD 3.48Å
144	C	67.4	Low	65.5	Low	44 Å²	44	28.4 Å²	28.4	30%	0.297	14%	0.141	S	C	.	.	I	π-helix	trans	-102	-9.2	-172.1	-52.9	0	0	0	0	114.5	F140 C182	F140-C144 WeakPolarHBondContact O-CA 3.47Å; F140-C144 WeakPolarHBondContact O-CB 3.3Å; F140-C144 PolarHBondContact O-N 2.83Å; C144-C182 HydrophobicContact CB-CB 3.95Å; C144-C182 WeakPolarHBondContact O-CB 3.29Å
145	S	68.8	Low	67.1	Low	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.138	C	C	.	.	I	π-helix	trans	-124.3	-62.6	176.3	160.6	0	0	0	0	111.9	V141 P148 L149 D183 H600	V141-S145 WeakPolarHBondContact O-CA 3.31Å; V141-S145 WeakPolarHBondContact O-CB 3.24Å; V141-S145 PolarHBondContact O-N 3.14Å; V141-S145 VanDerWaalsContact O-N 3.08Å; S145-P148 WeakPolarHBondContact O-CD 3.47Å; S145-L149 WeakPolarHBondContact O-CB 3.33Å; S145-L149 PolarHBondContact O-N 2.96Å; S145-D183 PolarHBondContact OG-OD1 3.18Å; S145-H600 PolarHBondContact OG-CE1 3.48Å
146	S	71.7	Confident	68.3	Low	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-65.6	-47.6	-171.8	-59.3	0	0	0	0	113.8	V141 L149 V150 H600	V141-S146 PolarHBondContact O-N 3.01Å; S146-L149 PolarHBondContact O-N 3.02Å; S146-V150 PolarHBondContact O-N 2.95Å; S146-V150 VanDerWaalsContact O-N 3.16Å; S146-H600 PolarHBondContact OG-ND1 3.45Å; S146-H600 VanDerWaalsContact OG-ND1 3.13Å
147	L	73.1	Confident	69.2	Low	38 Å²	38	20.2 Å²	20.2	20%	0.199	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-52.8	177.2	-92.7	166.3	0	0	0	112.4	I111 L142 L149 V150 F151	I111-L147 HydrophobicContact CD1-CD1 3.6Å; L142-L147 WeakPolarHBondContact O-CB 3.39Å; L142-L147 PolarHBondContact O-N 2.81Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.34Å; L147-V150 PolarHBondContact O-N 3Å; L147-V150 VanDerWaalsContact O-N 3.15Å; L147-F151 HydrophobicContact CD2-CE2 4.03Å; L147-F151 VanDerWaalsContact O-CD2 3.27Å; L147-F151 WeakPolarHBondContact O-CD2 3.21Å; L147-F151 PolarHBondContact O-N 3.43Å
148	P	72.3	Confident	70.1	Confident	26 Å²	26	21.6 Å²	21.6	17%	0.169	11%	0.112	C	C	.	.	H	α-helix	trans	-55.9	-37.2	174.4	-28.9	36.1	0	0	0	113.9	T143 S145 V150 F151 S152 R179	T143-P148 VanDerWaalsContact O-CD 3.27Å; T143-P148 WeakPolarHBondContact O-CD 3.48Å; S145-P148 WeakPolarHBondContact O-CD 3.47Å; P148-V150 VanDerWaalsContact C-N 3.35Å; P148-V150 PolarHBondContact O-N 3.48Å; P148-F151 PolarHBondContact O-N 3.21Å; P148-S152 PolarHBondContact O-N 3.38Å; P148-S152 PolarHBondContact O-OG 3.46Å; P148-R179 HydrophobicContact CB-CG 3.92Å
149	L	73.9	Confident	70.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-30.8	178.6	175.5	141.7	0	0	0	113.4	S145 S146 L147 V153 L154 M596 H600	S145-L149 WeakPolarHBondContact O-CB 3.33Å; S145-L149 PolarHBondContact O-N 2.96Å; S146-L149 PolarHBondContact O-N 3.02Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.34Å; L149-V153 WeakPolarHBondContact O-CB 3.4Å; L149-V153 PolarHBondContact O-N 2.92Å; L149-L154 HydrophobicContact CD2-CD1 3.69Å; L149-L154 HydrophobicContact CD2-CG 3.89Å; L149-L154 PolarHBondContact O-N 3.23Å; L149-M596 HydrophobicContact CD1-CE 3.78Å; L149-M596 HydrophobicContact CD1-CG 4.37Å; L149-M596 HydrophobicContact CD1-SD 3.68Å; L149-M596 HydrophobicContact CD2-SD 4.33Å; L149-M596 HydrophobicContact CG-SD 4.14Å; L149-H600 VanDerWaalsContact CD1-NE2 3.28Å; L149-H600 WeakPolarHBondContact CD1-NE2 3.25Å
150	V	75	Confident	70.8	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.024	13%	0.13	C	C	.	.	I	π-helix	trans	-62.6	-56.2	170.4	178.1	0	0	0	0	110	L103 V104 S146 L147 P148 S152 L154 S155	L103-V150 HydrophobicContact CB-CG2 3.68Å; V104-V150 HydrophobicContact CG2-CB 4.18Å; V104-V150 HydrophobicContact CG2-CG1 3.79Å; V104-V150 HydrophobicContact CG2-CG2 4.1Å; S146-V150 PolarHBondContact O-N 2.95Å; S146-V150 VanDerWaalsContact O-N 3.16Å; L147-V150 PolarHBondContact O-N 3Å; L147-V150 VanDerWaalsContact O-N 3.15Å; P148-V150 VanDerWaalsContact C-N 3.35Å; P148-V150 PolarHBondContact O-N 3.48Å; V150-S152 VanDerWaalsContact C-N 3.28Å; V150-S152 PolarHBondContact O-N 3.34Å; V150-L154 HydrophobicContact CG2-CD1 4.12Å; V150-L154 PolarHBondContact O-N 3.34Å; V150-S155 VanDerWaalsContact O-CB 3.31Å; V150-S155 WeakPolarHBondContact O-CB 3.32Å; V150-S155 PolarHBondContact O-N 3.19Å; V150-S155 PolarHBondContact O-OG 3.37Å; V150-S155 VanDerWaalsContact O-OG 3.14Å
151	F	73.6	Confident	70.8	Confident	106 Å²	106	28.3 Å²	28.3	47%	0.465	16%	0.156	S	C	.	.	I	π-helix	trans	-69.5	-20.3	-171.9	-66	-68.6	0	0	0	114.9	L147 P148 S155 F169	L147-F151 HydrophobicContact CD2-CE2 4.03Å; L147-F151 VanDerWaalsContact O-CD2 3.27Å; L147-F151 WeakPolarHBondContact O-CD2 3.21Å; L147-F151 PolarHBondContact O-N 3.43Å; P148-F151 PolarHBondContact O-N 3.21Å; F151-S155 PolarHBondContact O-OG 3.22Å; F151-F169 HydrophobicContact CB-CE1 4.48Å
152	S	68.2	Low	70.9	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.021	17%	0.169	C	C	.	.	I	π-helix	trans	-118.1	-4.6	-176.7	58.1	0	0	0	0	115.7	P148 V150 R156 R179	P148-S152 PolarHBondContact O-N 3.38Å; P148-S152 PolarHBondContact O-OG 3.46Å; V150-S152 VanDerWaalsContact C-N 3.28Å; V150-S152 PolarHBondContact O-N 3.34Å; S152-R156 WeakPolarHBondContact O-CD 3.36Å; S152-R156 PolarHBondContact O-NE 2.95Å; S152-R179 WeakPolarHBondContact OG-CD 3.34Å; S152-R179 VanDerWaalsContact OG-CZ 3.29Å; S152-R179 PolarHBondContact OG-NE 2.96Å; S152-R179 PolarHBondContact OG-NH1 2.84Å
153	V	70.6	Confident	70.9	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-131.6	-59.4	172.4	-170.7	0	0	0	0	112.5	Q85 A88 L149 S155 R156 R179 M596	Q85-V153 HydrophobicContact CB-CG2 4.2Å; Q85-V153 HydrophobicContact CG-CG2 3.76Å; A88-V153 HydrophobicContact CB-CG1 3.51Å; L149-V153 WeakPolarHBondContact O-CB 3.4Å; L149-V153 PolarHBondContact O-N 2.92Å; V153-S155 VanDerWaalsContact C-N 3.28Å; V153-S155 PolarHBondContact O-N 3.44Å; V153-R156 WeakPolarHBondContact O-CB 3.25Å; V153-R156 WeakPolarHBondContact O-CG 3.45Å; V153-R156 PolarHBondContact O-N 3.06Å; V153-R156 VanDerWaalsContact O-N 3.09Å; V153-R179 VanDerWaalsContact CG2-NH2 3.26Å; V153-M596 HydrophobicContact CB-SD 4.29Å; V153-M596 HydrophobicContact CG1-SD 3.75Å
154	L	75.7	Confident	70.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-68.2	-29.8	-172	-60.7	174.8	0	0	0	112.6	S96 A99 S100 L103 L149 V150 R156 L593 M596	S96-L154 WeakPolarHBondContact CB-O 3.43Å; S96-L154 PolarHBondContact OG-O 3.49Å; A99-L154 HydrophobicContact CB-CD1 4.5Å; A99-L154 HydrophobicContact CB-CD2 4.46Å; S100-L154 PolarHBondContact OG-O 3.28Å; L103-L154 HydrophobicContact CD1-CD1 3.43Å; L103-L154 VanDerWaalsContact CD1-CD1 3.43Å; L149-L154 HydrophobicContact CD2-CD1 3.69Å; L149-L154 HydrophobicContact CD2-CG 3.89Å; L149-L154 PolarHBondContact O-N 3.23Å; V150-L154 HydrophobicContact CG2-CD1 4.12Å; V150-L154 PolarHBondContact O-N 3.34Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 3.22Å; L154-L593 HydrophobicContact CD2-CB 4.46Å; L154-L593 HydrophobicContact CD2-CD2 3.72Å; L154-M596 HydrophobicContact CD2-CB 4.11Å
155	S	76.8	Confident	70.6	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.042	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.6	173.6	62.6	0	0	0	0	114.4	V150 F151 V153 L158 F159	V150-S155 VanDerWaalsContact O-CB 3.31Å; V150-S155 WeakPolarHBondContact O-CB 3.32Å; V150-S155 PolarHBondContact O-N 3.19Å; V150-S155 PolarHBondContact O-OG 3.37Å; V150-S155 VanDerWaalsContact O-OG 3.14Å; F151-S155 PolarHBondContact O-OG 3.22Å; V153-S155 VanDerWaalsContact C-N 3.28Å; V153-S155 PolarHBondContact O-N 3.44Å; S155-L158 VanDerWaalsContact O-CB 3.29Å; S155-L158 WeakPolarHBondContact O-CB 3.35Å; S155-L158 WeakPolarHBondContact O-CG 3.13Å; S155-L158 PolarHBondContact O-N 3.13Å; S155-F159 PolarHBondContact O-N 3.35Å
156	R	71.9	Confident	70.5	Confident	8 Å²	8	40.1 Å²	40.1	3%	0.03	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-52.3	-164.8	-76	176.6	162.7	-122	-18.8	113.4	E81 Q85 C89 S152 V153 L154 L158 F159 T160	E81-R156 VanDerWaalsContact CD-NH1 3.34Å; E81-R156 IonicContact OE1-CZ 3.39Å; E81-R156 IonicContact OE1-NH1 2.7Å; E81-R156 PolarHBondContact OE1-NH1 2.84Å; E81-R156 IonicContact OE1-NH2 3.31Å; E81-R156 PolarHBondContact OE1-NH2 3.28Å; E81-R156 IonicContact OE2-CZ 2.83Å; E81-R156 IonicContact OE2-NH1 2.7Å; E81-R156 PolarHBondContact OE2-NH1 2.89Å; E81-R156 IonicContact OE2-NH2 3.58Å; E81-R156 PolarHBondContact OE2-NH2 2.97Å; Q85-R156 WeakPolarHBondContact O-CD 3.45Å; Q85-R156 PolarHBondContact O-NH1 3Å; C89-R156 HydrophobicContact CB-CB 3.73Å; S152-R156 WeakPolarHBondContact O-CD 3.36Å; S152-R156 PolarHBondContact O-NE 2.95Å; V153-R156 WeakPolarHBondContact O-CB 3.25Å; V153-R156 WeakPolarHBondContact O-CG 3.45Å; V153-R156 PolarHBondContact O-N 3.06Å; V153-R156 VanDerWaalsContact O-N 3.09Å; L154-R156 VanDerWaalsContact C-N 3.31Å; L154-R156 PolarHBondContact O-N 3.22Å; R156-L158 PolarHBondContact O-N 3.19Å; R156-L158 VanDerWaalsContact O-N 3.17Å; R156-F159 CarbonylContact O-C 3.54Å; R156-F159 PolarHBondContact O-N 3.13Å; R156-T160 PolarHBondContact O-N 3.33Å; R156-T160 PolarHBondContact O-OG1 2.82Å
157	P	72.2	Confident	70.1	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.013	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.6	178.7	-28.5	36.5	0	0	0	115	A88 G91 K93 F159 T160 L593	A88-P157 WeakPolarHBondContact O-CG 3.3Å; G91-P157 VanDerWaalsContact O-CB 3.3Å; G91-P157 WeakPolarHBondContact O-CB 3.46Å; G91-P157 VanDerWaalsContact O-CG 3.3Å; G91-P157 WeakPolarHBondContact O-CG 3.35Å; K93-P157 VanDerWaalsContact CD-O 3.23Å; K93-P157 WeakPolarHBondContact CD-O 3.49Å; K93-P157 WeakPolarHBondContact CE-O 3.45Å; K93-P157 HydrophobicContact CG-CB 4.05Å; K93-P157 WeakPolarHBondContact CG-O 3.35Å; K93-P157 PolarHBondContact NZ-O 3.33Å; P157-F159 VanDerWaalsContact C-N 3.31Å; P157-F159 PolarHBondContact O-N 3.21Å; P157-T160 PolarHBondContact O-N 2.68Å; P157-L593 HydrophobicContact CG-CD1 4.16Å
158	L	73.6	Confident	69.9	Low	54 Å²	54	42.7 Å²	42.7	28%	0.283	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-47	177.1	-49.5	178.5	0	0	0	110.2	K93 S96 W97 S155 R156	K93-L158 HydrophobicContact CB-CD2 4.5Å; K93-L158 VanDerWaalsContact O-CD2 3.28Å; K93-L158 WeakPolarHBondContact O-CD2 3.34Å; S96-L158 WeakPolarHBondContact OG-CG 3.46Å; W97-L158 HydrophobicContact CB-CD2 3.83Å; S155-L158 VanDerWaalsContact O-CB 3.29Å; S155-L158 WeakPolarHBondContact O-CB 3.35Å; S155-L158 WeakPolarHBondContact O-CG 3.13Å; S155-L158 PolarHBondContact O-N 3.13Å; R156-L158 PolarHBondContact O-N 3.19Å; R156-L158 VanDerWaalsContact O-N 3.17Å
159	F	70.8	Confident	69.7	Low	98 Å²	98	46.6 Å²	46.6	43%	0.43	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	16.5	-176.4	-56.2	-64.6	0	0	0	113.8	S155 R156 P157 P161 L162 H166	S155-F159 PolarHBondContact O-N 3.35Å; R156-F159 CarbonylContact O-C 3.54Å; R156-F159 PolarHBondContact O-N 3.13Å; P157-F159 VanDerWaalsContact C-N 3.31Å; P157-F159 PolarHBondContact O-N 3.21Å; F159-P161 CarbonylContact O-C 3.38Å; F159-L162 WeakPolarHBondContact O-CA 3.41Å; F159-L162 PolarHBondContact O-N 2.94Å; F159-H166 AromaticContact CD2-CE1 3.71Å; F159-H166 AromaticContact CD2-NE2 3.85Å; F159-H166 AromaticContact CE2-CE1 3.82Å; F159-H166 AromaticContact CG-CE1 3.83Å
160	T	66.7	Low	69.3	Low	34 Å²	34	47 Å²	47	21%	0.209	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-83.2	126	170.5	-53	0	0	0	0	110.2	K93 R156 P157	K93-T160 PolarHBondContact NZ-O 2.88Å; R156-T160 PolarHBondContact O-N 3.33Å; R156-T160 PolarHBondContact O-OG1 2.82Å; P157-T160 PolarHBondContact O-N 2.68Å
161	P	62.9	Low	68.7	Low	122 Å²	122	47.5 Å²	47.5	79%	0.792	25%	0.253	S	S	*	.	S	Bend	cis	-76.6	137.7	-1.6	31.9	-35.1	0	0	0	113.3	F159 S163	F159-P161 CarbonylContact O-C 3.38Å; P161-S163 PolarHBondContact O-N 3.37Å
162	L	65.3	Low	68.3	Low	56 Å²	56	43.2 Å²	43.2	29%	0.293	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-65.1	133.9	-174.7	-82	70.8	0	0	0	111.3	F159 H166 I170	F159-L162 WeakPolarHBondContact O-CA 3.41Å; F159-L162 PolarHBondContact O-N 2.94Å; L162-H166 HydrophobicContact CB-CB 4.46Å; L162-H166 HydrophobicContact CG-CB 4.47Å; L162-I170 HydrophobicContact CD2-CD1 3.98Å
163	S	67	Low	67.7	Low	48 Å²	48	48.1 Å²	48.1	34%	0.336	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-62.6	151.2	164.4	70.5	0	0	0	0	110.1	P161 T165 H166 K167	P161-S163 PolarHBondContact O-N 3.37Å; S163-T165 PolarHBondContact O-N 3Å; S163-T165 PolarHBondContact OG-OG1 3.32Å; S163-H166 PolarHBondContact O-N 3.46Å; S163-H166 PolarHBondContact OG-N 3.49Å; S163-K167 PolarHBondContact O-N 2.88Å
164	P	65.4	Low	67.3	Low	81 Å²	81	50 Å²	50	53%	0.526	28%	0.276	S	S	.	.	H	α-helix	trans	-54.2	-39.9	176.7	-26.9	35.1	0	0	0	112.2	H166 K167 Y168	P164-H166 PolarHBondContact O-N 3.48Å; P164-K167 WeakPolarHBondContact O-CB 3.26Å; P164-K167 PolarHBondContact O-N 3.29Å; P164-Y168 HydrophobicContact CB-CD2 4.42Å; P164-Y168 HydrophobicContact CB-CE2 3.81Å; P164-Y168 WeakPolarHBondContact O-CD2 3.34Å; P164-Y168 VanDerWaalsContact O-CG 3.28Å; P164-Y168 PolarHBondContact O-N 3.26Å
165	T	67.9	Low	66.9	Low	109 Å²	109	53.3 Å²	53.3	67%	0.669	29%	0.292	S	S	*	.	H	α-helix	trans	-59.7	-40	173.8	45.3	0	0	0	0	113.8	S163 F169	S163-T165 PolarHBondContact O-N 3Å; S163-T165 PolarHBondContact OG-OG1 3.32Å; T165-F169 WeakPolarHBondContact O-CB 3.19Å; T165-F169 PolarHBondContact O-N 3.34Å
166	H	65.7	Low	66.3	Low	48 Å²	48	53.9 Å²	53.9	22%	0.222	30%	0.297	C	S	.	.	H	α-helix	trans	-71	-37.4	174	-116.8	116	0	0	0	111.9	F159 L162 S163 P164 F169 I170	F159-H166 AromaticContact CD2-CE1 3.71Å; F159-H166 AromaticContact CD2-NE2 3.85Å; F159-H166 AromaticContact CE2-CE1 3.82Å; F159-H166 AromaticContact CG-CE1 3.83Å; L162-H166 HydrophobicContact CB-CB 4.46Å; L162-H166 HydrophobicContact CG-CB 4.47Å; S163-H166 PolarHBondContact O-N 3.46Å; S163-H166 PolarHBondContact OG-N 3.49Å; P164-H166 PolarHBondContact O-N 3.48Å; H166-F169 PolarHBondContact O-N 2.94Å; H166-I170 WeakPolarHBondContact O-CB 3.46Å; H166-I170 WeakPolarHBondContact O-CG1 3.19Å; H166-I170 PolarHBondContact O-N 3.36Å
167	K	64.2	Low	66.1	Low	56 Å²	56	55.1 Å²	55.1	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-49.9	173.4	-176.3	-170.2	173.3	-164.7	0	110.5	S163 P164 F169 I170 L171 E498	S163-K167 PolarHBondContact O-N 2.88Å; P164-K167 WeakPolarHBondContact O-CB 3.26Å; P164-K167 PolarHBondContact O-N 3.29Å; K167-F169 PolarHBondContact O-N 2.86Å; K167-I170 PolarHBondContact O-N 2.97Å; K167-L171 HydrophobicContact CG-CD1 3.92Å; K167-L171 WeakPolarHBondContact O-CB 3.43Å; K167-L171 PolarHBondContact O-N 3.05Å; K167-E498 VanDerWaalsContact CE-OE2 3.28Å; K167-E498 WeakPolarHBondContact CE-OE2 3.43Å; K167-E498 IonicContact NZ-OE1 3.37Å; K167-E498 PolarHBondContact NZ-OE1 3.18Å; K167-E498 IonicContact NZ-OE2 3.5Å; K167-E498 PolarHBondContact NZ-OE2 3.39Å
168	Y	68.9	Low	65.9	Low	36 Å²	36	58.8 Å²	58.8	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-32.8	178.2	-58.4	-39.8	0	0	0	113.3	P164 G172 D499 M501 L503	P164-Y168 HydrophobicContact CB-CD2 4.42Å; P164-Y168 HydrophobicContact CB-CE2 3.81Å; P164-Y168 WeakPolarHBondContact O-CD2 3.34Å; P164-Y168 VanDerWaalsContact O-CG 3.28Å; P164-Y168 PolarHBondContact O-N 3.26Å; Y168-G172 WeakPolarHBondContact O-CA 3.41Å; Y168-G172 PolarHBondContact O-N 3.35Å; Y168-D499 WeakPolarHBondContact OH-CB 3.38Å; Y168-D499 PolarHBondContact OH-OD2 2.86Å; Y168-M501 HydrophobicContact CD1-CB 4.17Å; Y168-M501 HydrophobicContact CD2-CG 4.49Å; Y168-M501 HydrophobicContact CE1-CB 4.41Å; Y168-M501 HydrophobicContact CG-CE 4.34Å; Y168-M501 HydrophobicContact CG-CG 4.44Å; Y168-L503 HydrophobicContact CD1-CD1 3.75Å; Y168-L503 HydrophobicContact CD1-CD2 4.11Å; Y168-L503 HydrophobicContact CD1-CG 4.19Å; Y168-L503 HydrophobicContact CE1-CD1 3.87Å; Y168-L503 HydrophobicContact CE1-CD2 4.13Å; Y168-L503 HydrophobicContact CE1-CG 4.5Å
169	F	67.9	Low	65.6	Low	108 Å²	108	57 Å²	57	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-35.3	173	-177.2	-105.4	0	0	0	113.2	F151 T165 H166 K167 M175	F151-F169 HydrophobicContact CB-CE1 4.48Å; T165-F169 WeakPolarHBondContact O-CB 3.19Å; T165-F169 PolarHBondContact O-N 3.34Å; H166-F169 PolarHBondContact O-N 2.94Å; K167-F169 PolarHBondContact O-N 2.86Å; F169-M175 HydrophobicContact CE1-CE 3.92Å; F169-M175 HydrophobicContact CE2-CE 4.23Å; F169-M175 HydrophobicContact CZ-CE 3.76Å
170	I	64.4	Low	65.5	Low	7 Å²	7	53.9 Å²	53.9	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-85.5	-38.8	-177.2	-69.7	172.6	0	0	0	112.5	L162 H166 K167	L162-I170 HydrophobicContact CD2-CD1 3.98Å; H166-I170 WeakPolarHBondContact O-CB 3.46Å; H166-I170 WeakPolarHBondContact O-CG1 3.19Å; H166-I170 PolarHBondContact O-N 3.36Å; K167-I170 PolarHBondContact O-N 2.97Å
171	L	63.6	Low	65.7	Low	16 Å²	16	53.7 Å²	53.7	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-99.3	-8	-177.7	-68.2	174.6	0	0	0	114.2	E81 K167 W173 L503 T504	E81-L171 HydrophobicContact CG-CD2 3.69Å; K167-L171 HydrophobicContact CG-CD1 3.92Å; K167-L171 WeakPolarHBondContact O-CB 3.43Å; K167-L171 PolarHBondContact O-N 3.05Å; L171-W173 PolarHBondContact O-N 3.4Å; L171-L503 HydrophobicContact CB-CB 4.21Å; L171-L503 HydrophobicContact CB-CD2 3.82Å; L171-L503 HydrophobicContact CB-CG 3.99Å; L171-L503 HydrophobicContact CD1-CD2 3.97Å; L171-L503 CarbonylContact O-C 3.55Å; L171-L503 VanDerWaalsContact O-CA 3.3Å; L171-L503 WeakPolarHBondContact O-CA 3.36Å; L171-T504 PolarHBondContact O-N 3.27Å; L171-T504 PolarHBondContact O-OG1 2.7Å
172	G	64.7	Low	66	Low	16 Å²	16	49.1 Å²	49.1	17%	0.165	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-56.3	131.4	-179.6	0	0	0	0	0	111.8	Y168 G174 M175 A176	Y168-G172 WeakPolarHBondContact O-CA 3.41Å; Y168-G172 PolarHBondContact O-N 3.35Å; G172-G174 VanDerWaalsContact C-N 3.35Å; G172-G174 PolarHBondContact O-N 2.81Å; G172-G174 VanDerWaalsContact O-N 3.08Å; G172-M175 PolarHBondContact O-N 3.06Å; G172-A176 PolarHBondContact O-N 3.07Å
173	W	55.7	Low	66.1	Low	105 Å²	105	47.1 Å²	47.1	40%	0.398	26%	0.259	S	S	.	.	H	α-helix	trans	-47.7	-50.1	-156.7	-160	62.9	0	0	0	114.7	L171 Q177 P495 I502 T504	L171-W173 PolarHBondContact O-N 3.4Å; W173-Q177 VanDerWaalsContact O-CB 3.31Å; W173-Q177 WeakPolarHBondContact O-CB 3.41Å; W173-Q177 PolarHBondContact O-N 3.31Å; W173-P495 HydrophobicContact CZ2-CB 4.44Å; W173-I502 HydrophobicContact CB-CB 4.35Å; W173-I502 HydrophobicContact CB-CG2 3.92Å; W173-I502 HydrophobicContact CD2-CG2 4.39Å; W173-I502 HydrophobicContact CG-CG2 3.86Å; W173-I502 PolarHBondContact N-O 3.33Å; W173-I502 VanDerWaalsContact N-O 3.07Å; W173-T504 HydrophobicContact CG-CG2 4.36Å
174	G	62.4	Low	66.2	Low	40 Å²	40	45.2 Å²	45.2	41%	0.412	24%	0.244	S	C	.	.	H	α-helix	trans	-69.1	-31.2	-179.6	0	0	0	0	0	115.1	G172 T178	G172-G174 VanDerWaalsContact C-N 3.35Å; G172-G174 PolarHBondContact O-N 2.81Å; G172-G174 VanDerWaalsContact O-N 3.08Å; G174-T178 WeakPolarHBondContact O-CB 3.43Å; G174-T178 PolarHBondContact O-N 3.44Å; G174-T178 VanDerWaalsContact O-N 3.14Å; G174-T178 PolarHBondContact O-OG1 2.89Å
175	M	66.2	Low	66.5	Low	69 Å²	69	43.6 Å²	43.6	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-74.2	-50.5	-177.9	-101.2	-75.7	-78.8	0	0	111.6	F169 G172 R179	F169-M175 HydrophobicContact CE1-CE 3.92Å; F169-M175 HydrophobicContact CE2-CE 4.23Å; F169-M175 HydrophobicContact CZ-CE 3.76Å; G172-M175 PolarHBondContact O-N 3.06Å; M175-R179 WeakPolarHBondContact O-CB 3.31Å; M175-R179 PolarHBondContact O-N 2.88Å
176	A	64.2	Low	66.4	Low	18 Å²	18	39 Å²	39	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-47.6	-179	0	0	0	0	0	112	G172 F180 T504	G172-A176 PolarHBondContact O-N 3.07Å; A176-F180 PolarHBondContact O-N 3.4Å; A176-T504 HydrophobicContact CB-CG2 3.95Å; A176-T504 WeakPolarHBondContact CB-OG1 3.33Å
177	Q	68.5	Low	66.4	Low	34 Å²	34	37.6 Å²	37.6	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-49.7	179.9	-171.9	-173.1	53.1	0	0	111.9	W173 R179 F180 F181 I490 F493 T504	W173-Q177 VanDerWaalsContact O-CB 3.31Å; W173-Q177 WeakPolarHBondContact O-CB 3.41Å; W173-Q177 PolarHBondContact O-N 3.31Å; Q177-R179 VanDerWaalsContact C-N 3.34Å; Q177-R179 PolarHBondContact O-N 3.29Å; Q177-F180 PolarHBondContact O-N 3.02Å; Q177-F181 PolarHBondContact O-N 2.98Å; Q177-I490 HydrophobicContact CG-CG2 4.22Å; Q177-I490 PolarHBondContact NE2-O 3.05Å; Q177-F493 HydrophobicContact CB-CD2 4.38Å; Q177-F493 HydrophobicContact CG-CD2 4.29Å; Q177-T504 HydrophobicContact CB-CG2 4.46Å
178	T	67.2	Low	66.6	Low	80 Å²	80	35 Å²	35	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-63.6	-40.4	179.3	-56.8	0	0	0	0	111.3	G174 F181 C182	G174-T178 WeakPolarHBondContact O-CB 3.43Å; G174-T178 PolarHBondContact O-N 3.44Å; G174-T178 VanDerWaalsContact O-N 3.14Å; G174-T178 PolarHBondContact O-OG1 2.89Å; T178-F181 PolarHBondContact O-N 3.21Å; T178-C182 VanDerWaalsContact O-CB 3.28Å; T178-C182 WeakPolarHBondContact O-CB 3.28Å; T178-C182 PolarHBondContact O-N 3Å; T178-C182 PolarHBondContact O-SG 3.01Å; T178-C182 VanDerWaalsContact O-SG 3.37Å
179	R	69	Low	66.5	Low	16 Å²	16	33.3 Å²	33.3	6%	0.06	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-45.3	177.1	-178.6	-179.3	161.5	-116.9	-25.1	111.8	Q85 P148 S152 V153 M175 Q177 C182 D183	Q85-R179 VanDerWaalsContact CD-NH1 3.3Å; P148-R179 HydrophobicContact CB-CG 3.92Å; S152-R179 WeakPolarHBondContact OG-CD 3.34Å; S152-R179 VanDerWaalsContact OG-CZ 3.29Å; S152-R179 PolarHBondContact OG-NE 2.96Å; S152-R179 PolarHBondContact OG-NH1 2.84Å; V153-R179 VanDerWaalsContact CG2-NH2 3.26Å; M175-R179 WeakPolarHBondContact O-CB 3.31Å; M175-R179 PolarHBondContact O-N 2.88Å; Q177-R179 VanDerWaalsContact C-N 3.34Å; Q177-R179 PolarHBondContact O-N 3.29Å; R179-C182 PolarHBondContact O-N 3.1Å; R179-D183 VanDerWaalsContact O-CB 3.27Å; R179-D183 WeakPolarHBondContact O-CB 3.25Å; R179-D183 PolarHBondContact O-N 2.89Å
180	F	67.4	Low	66.2	Low	32 Å²	32	28.6 Å²	28.6	14%	0.14	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-44.1	178.4	-170.6	-110.2	0	0	0	111.5	P82 A176 Q177 L184 F493	P82-F180 HydrophobicContact CG-CD2 4.45Å; A176-F180 PolarHBondContact O-N 3.4Å; Q177-F180 PolarHBondContact O-N 3.02Å; F180-L184 VanDerWaalsContact O-CB 3.31Å; F180-L184 WeakPolarHBondContact O-CB 3.34Å; F180-L184 PolarHBondContact O-N 3.17Å; F180-F493 HydrophobicContact CB-CE2 3.64Å; F180-F493 HydrophobicContact CB-CZ 3.75Å; F180-F493 AromaticContact CD1-CE2 3.51Å; F180-F493 HydrophobicContact CD1-CE2 3.51Å; F180-F493 AromaticContact CD1-CZ 3.84Å; F180-F493 HydrophobicContact CD1-CZ 3.84Å; F180-F493 HydrophobicContact CD2-CZ 4.18Å; F180-F493 HydrophobicContact CE1-CE2 4.28Å; F180-F493 HydrophobicContact CE1-CZ 4.44Å; F180-F493 AromaticContact CG-CE2 3.69Å; F180-F493 HydrophobicContact CG-CE2 3.69Å; F180-F493 AromaticContact CG-CZ 3.67Å; F180-F493 HydrophobicContact CG-CZ 3.67Å
181	F	72.2	Confident	66.2	Low	30 Å²	30	28.5 Å²	28.5	13%	0.132	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-49.3	174.9	178.2	-96.7	0	0	0	112.4	Q177 T178 D183 L184 F185 F483 T486 I490	Q177-F181 PolarHBondContact O-N 2.98Å; T178-F181 PolarHBondContact O-N 3.21Å; F181-D183 PolarHBondContact O-N 2.95Å; F181-L184 PolarHBondContact O-N 3.46Å; F181-F185 HydrophobicContact CE1-CB 4.4Å; F181-F185 WeakPolarHBondContact O-CB 3.32Å; F181-F185 PolarHBondContact O-N 3.44Å; F181-F483 HydrophobicContact CE1-CE2 4.31Å; F181-F483 AromaticContact CZ-CD2 3.78Å; F181-F483 HydrophobicContact CZ-CD2 3.78Å; F181-F483 AromaticContact CZ-CE2 3.68Å; F181-F483 HydrophobicContact CZ-CE2 3.68Å; F181-T486 VanDerWaalsContact CE2-OG1 3.32Å; F181-T486 WeakPolarHBondContact CE2-OG1 3.3Å; F181-I490 HydrophobicContact CB-CG1 4.33Å; F181-I490 HydrophobicContact CD2-CD1 3.84Å; F181-I490 HydrophobicContact CD2-CG1 3.56Å; F181-I490 HydrophobicContact CE2-CD1 3.93Å; F181-I490 HydrophobicContact CE2-CG1 4.14Å; F181-I490 HydrophobicContact CG-CD1 4.39Å; F181-I490 HydrophobicContact CG-CG1 4.08Å
182	C	68.6	Low	66.4	Low	26 Å²	26	30.4 Å²	30.4	18%	0.176	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-38.7	-179.5	-76.9	0	0	0	0	112.9	C144 T178 R179 T186	C144-C182 HydrophobicContact CB-CB 3.95Å; C144-C182 WeakPolarHBondContact O-CB 3.29Å; T178-C182 VanDerWaalsContact O-CB 3.28Å; T178-C182 WeakPolarHBondContact O-CB 3.28Å; T178-C182 PolarHBondContact O-N 3Å; T178-C182 PolarHBondContact O-SG 3.01Å; T178-C182 VanDerWaalsContact O-SG 3.37Å; R179-C182 PolarHBondContact O-N 3.1Å; C182-T186 WeakPolarHBondContact O-CB 3.49Å; C182-T186 VanDerWaalsContact O-CG2 3.3Å; C182-T186 WeakPolarHBondContact O-CG2 3.38Å; C182-T186 PolarHBondContact O-N 2.79Å; C182-T186 PolarHBondContact O-OG1 2.95Å
183	D	67.2	Low	66.3	Low	15 Å²	15	31.7 Å²	31.7	8%	0.08	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-47.2	176.1	-170.4	43.3	0	0	0	111.3	S145 R179 F181 F185 T186 R187 H600	S145-D183 PolarHBondContact OG-OD1 3.18Å; R179-D183 VanDerWaalsContact O-CB 3.27Å; R179-D183 WeakPolarHBondContact O-CB 3.25Å; R179-D183 PolarHBondContact O-N 2.89Å; F181-D183 PolarHBondContact O-N 2.95Å; D183-F185 PolarHBondContact O-N 3.28Å; D183-T186 PolarHBondContact O-OG1 3.33Å; D183-R187 WeakPolarHBondContact O-CB 3.41Å; D183-R187 PolarHBondContact O-N 2.95Å; D183-R187 IonicContact OD1-NH2 2.72Å; D183-R187 PolarHBondContact OD1-NH2 2.82Å; D183-R187 VanDerWaalsContact OD1-NH2 3.15Å; D183-R187 IonicContact OD2-CZ 2.76Å; D183-R187 IonicContact OD2-NH1 3.19Å; D183-R187 IonicContact OD2-NH2 3.71Å; D183-R187 PolarHBondContact OD2-NH2 2.86Å; D183-H600 IonicContact OD1-CE1 3.18Å
184	L	69.2	Low	66.4	Low	7 Å²	7	27.1 Å²	27.1	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-39.4	177	-164	71.2	0	0	0	112	F180 F181 T188 T486 Y513 L521	F180-L184 VanDerWaalsContact O-CB 3.31Å; F180-L184 WeakPolarHBondContact O-CB 3.34Å; F180-L184 PolarHBondContact O-N 3.17Å; F181-L184 PolarHBondContact O-N 3.46Å; L184-T188 WeakPolarHBondContact O-CB 3.33Å; L184-T188 VanDerWaalsContact O-CG2 3.3Å; L184-T188 WeakPolarHBondContact O-CG2 3.33Å; L184-T188 PolarHBondContact O-N 3.28Å; L184-T188 PolarHBondContact O-OG1 2.98Å; L184-T486 HydrophobicContact CB-CG2 4.1Å; L184-T486 HydrophobicContact CD2-CG2 3.8Å; L184-T486 HydrophobicContact CG-CG2 3.68Å; L184-Y513 HydrophobicContact CD2-CD1 3.94Å; L184-Y513 HydrophobicContact CD2-CE1 4.18Å; L184-L521 HydrophobicContact CD1-CD1 4.5Å
185	F	71.9	Confident	66.4	Low	48 Å²	48	26.5 Å²	26.5	21%	0.211	14%	0.136	C	C	.	.	H	α-helix	trans	-68.5	-43.8	178.2	174.7	-107.9	0	0	0	112.4	F181 D183 T188 A189 Y479 F483 T486	F181-F185 HydrophobicContact CE1-CB 4.4Å; F181-F185 WeakPolarHBondContact O-CB 3.32Å; F181-F185 PolarHBondContact O-N 3.44Å; D183-F185 PolarHBondContact O-N 3.28Å; F185-T188 WeakPolarHBondContact CA-OG1 3.32Å; F185-T188 PolarHBondContact O-OG1 2.99Å; F185-A189 WeakPolarHBondContact O-CB 3.44Å; F185-A189 PolarHBondContact O-N 3.31Å; F185-Y479 HydrophobicContact CZ-CD1 4.1Å; F185-F483 HydrophobicContact CD2-CB 4.27Å; F185-F483 HydrophobicContact CE2-CB 3.84Å; F185-F483 HydrophobicContact CE2-CD2 4.36Å; F185-T486 HydrophobicContact CB-CG2 4.42Å
186	T	64.9	Low	66.4	Low	12 Å²	12	23.4 Å²	23.4	7%	0.074	12%	0.12	C	C	.	.	H	α-helix	trans	-69.3	-36.8	176.8	53.2	0	0	0	0	111.7	V141 C182 D183 S190	V141-T186 HydrophobicContact CG2-CG2 4.06Å; C182-T186 WeakPolarHBondContact O-CB 3.49Å; C182-T186 VanDerWaalsContact O-CG2 3.3Å; C182-T186 WeakPolarHBondContact O-CG2 3.38Å; C182-T186 PolarHBondContact O-N 2.79Å; C182-T186 PolarHBondContact O-OG1 2.95Å; D183-T186 PolarHBondContact O-OG1 3.33Å; T186-S190 WeakPolarHBondContact O-CB 3.42Å; T186-S190 PolarHBondContact O-N 2.82Å; T186-S190 PolarHBondContact O-OG 3.07Å; T186-S190 VanDerWaalsContact O-OG 3.04Å
187	R	67.1	Low	66.2	Low	19 Å²	19	27 Å²	27	7%	0.072	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-64.1	170.9	179.4	170.7	-59	137.7	22.3	111.9	D183 A189 S190 I191 D517 Y599	D183-R187 WeakPolarHBondContact O-CB 3.41Å; D183-R187 PolarHBondContact O-N 2.95Å; D183-R187 IonicContact OD1-NH2 2.72Å; D183-R187 PolarHBondContact OD1-NH2 2.82Å; D183-R187 VanDerWaalsContact OD1-NH2 3.15Å; D183-R187 IonicContact OD2-CZ 2.76Å; D183-R187 IonicContact OD2-NH1 3.19Å; D183-R187 IonicContact OD2-NH2 3.71Å; D183-R187 PolarHBondContact OD2-NH2 2.86Å; R187-A189 PolarHBondContact O-N 3.31Å; R187-S190 PolarHBondContact O-N 3.14Å; R187-S190 PolarHBondContact O-OG 2.84Å; R187-I191 HydrophobicContact CG-CD1 3.8Å; R187-I191 WeakPolarHBondContact O-CG1 3.45Å; R187-I191 PolarHBondContact O-N 3.07Å; R187-I191 VanDerWaalsContact O-N 3.09Å; R187-D517 WeakPolarHBondContact CD-OD1 3.26Å; R187-D517 WeakPolarHBondContact CD-OD2 3.23Å; R187-D517 IonicContact CZ-OD2 3.98Å; R187-D517 IonicContact NE-OD2 2.77Å; R187-D517 IonicContact NH1-OD2 3.19Å; R187-D517 PolarHBondContact NH1-OD2 3.18Å; R187-Y599 WeakPolarHBondContact CG-OH 3.26Å; R187-Y599 PolarHBondContact NE-OH 3.46Å
188	T	68.4	Low	65.5	Low	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-48.4	-56.6	179	44.4	0	0	0	0	111.6	L184 F185 S190 I191 Y192 T486 L521	L184-T188 WeakPolarHBondContact O-CB 3.33Å; L184-T188 VanDerWaalsContact O-CG2 3.3Å; L184-T188 WeakPolarHBondContact O-CG2 3.33Å; L184-T188 PolarHBondContact O-N 3.28Å; L184-T188 PolarHBondContact O-OG1 2.98Å; F185-T188 WeakPolarHBondContact CA-OG1 3.32Å; F185-T188 PolarHBondContact O-OG1 2.99Å; T188-S190 VanDerWaalsContact C-N 3.35Å; T188-S190 PolarHBondContact O-N 3.38Å; T188-I191 PolarHBondContact O-N 3.47Å; T188-Y192 WeakPolarHBondContact O-CD2 3.34Å; T188-Y192 PolarHBondContact O-N 2.68Å; T188-T486 HydrophobicContact CG2-CG2 3.76Å; T188-L521 HydrophobicContact CG2-CD1 3.32Å; T188-L521 HydrophobicContact CG2-CD2 3.76Å; T188-L521 HydrophobicContact CG2-CG 4.19Å
189	A	65	Low	65.3	Low	2 Å²	2	25 Å²	25	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-39	-175.3	0	0	0	0	0	112.8	F185 R187 I191 H193 Y479 S482	F185-A189 WeakPolarHBondContact O-CB 3.44Å; F185-A189 PolarHBondContact O-N 3.31Å; R187-A189 PolarHBondContact O-N 3.31Å; A189-I191 VanDerWaalsContact C-N 3.35Å; A189-I191 PolarHBondContact O-N 3.42Å; A189-H193 WeakPolarHBondContact O-CB 3.41Å; A189-H193 PolarHBondContact O-N 3.48Å; A189-Y479 HydrophobicContact CB-CD1 3.55Å; A189-Y479 HydrophobicContact CB-CE1 3.56Å; A189-S482 WeakPolarHBondContact CA-OG 3.41Å
190	S	61.8	Low	65.2	Low	8 Å²	8	27 Å²	27	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-71.4	-27.9	179.9	76.8	0	0	0	0	114.1	T186 R187 T188 L194 F603	T186-S190 WeakPolarHBondContact O-CB 3.42Å; T186-S190 PolarHBondContact O-N 2.82Å; T186-S190 PolarHBondContact O-OG 3.07Å; T186-S190 VanDerWaalsContact O-OG 3.04Å; R187-S190 PolarHBondContact O-N 3.14Å; R187-S190 PolarHBondContact O-OG 2.84Å; T188-S190 VanDerWaalsContact C-N 3.35Å; T188-S190 PolarHBondContact O-N 3.38Å; S190-L194 PolarHBondContact O-N 2.9Å; S190-F603 WeakPolarHBondContact OG-CE1 3.31Å; S190-F603 VanDerWaalsContact OG-CZ 3.28Å; S190-F603 WeakPolarHBondContact OG-CZ 3.31Å
191	I	65.1	Low	64.8	Low	6 Å²	6	27.8 Å²	27.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-77.2	-52.4	175.7	-66.9	168.3	0	0	0	109.1	R187 T188 A189 H193 L194 V195 L521 P525	R187-I191 HydrophobicContact CG-CD1 3.8Å; R187-I191 WeakPolarHBondContact O-CG1 3.45Å; R187-I191 PolarHBondContact O-N 3.07Å; R187-I191 VanDerWaalsContact O-N 3.09Å; T188-I191 PolarHBondContact O-N 3.47Å; A189-I191 VanDerWaalsContact C-N 3.35Å; A189-I191 PolarHBondContact O-N 3.42Å; I191-H193 VanDerWaalsContact C-N 3.29Å; I191-H193 PolarHBondContact O-N 3.21Å; I191-L194 PolarHBondContact O-N 3.45Å; I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.37Å; I191-V195 PolarHBondContact O-N 2.83Å; I191-L521 HydrophobicContact CD1-CB 4.46Å; I191-P525 HydrophobicContact CG2-CB 3.79Å; I191-P525 HydrophobicContact CG2-CG 3.84Å
192	Y	67	Low	64.5	Low	55 Å²	55	29.7 Å²	29.7	22%	0.216	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-36.2	176.7	-69.9	-53.6	0	0	0	112.8	T188 L194 V195 Y196 I478 I485 L521	T188-Y192 WeakPolarHBondContact O-CD2 3.34Å; T188-Y192 PolarHBondContact O-N 2.68Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-L194 PolarHBondContact O-N 3.47Å; Y192-V195 PolarHBondContact O-N 3.37Å; Y192-Y196 WeakPolarHBondContact O-CB 3.45Å; Y192-Y196 PolarHBondContact O-N 2.98Å; Y192-I478 VanDerWaalsContact CB-CG2 3.45Å; Y192-I485 HydrophobicContact CE2-CD1 4.22Å; Y192-L521 HydrophobicContact CE2-CD2 3.81Å; Y192-L521 WeakPolarHBondContact OH-CD2 3.39Å
193	H	63.5	Low	64.6	Low	44 Å²	44	30.7 Å²	30.7	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-35	174.2	-178.1	-101.7	0	0	0	112.7	A189 I191 W197	A189-H193 WeakPolarHBondContact O-CB 3.41Å; A189-H193 PolarHBondContact O-N 3.48Å; I191-H193 VanDerWaalsContact C-N 3.29Å; I191-H193 PolarHBondContact O-N 3.21Å; H193-W197 AromaticContact CE1-CD1 3.44Å; H193-W197 VanDerWaalsContact CE1-CD1 3.44Å; H193-W197 AromaticContact CE1-NE1 3.47Å; H193-W197 PolarHBondContact CE1-NE1 3.49Å; H193-W197 AromaticContact ND1-CD1 3.9Å; H193-W197 AromaticContact NE2-CD1 3.72Å; H193-W197 AromaticContact NE2-NE1 3.65Å; H193-W197 PolarHBondContact O-N 3.06Å
194	L	58.7	Low	64.6	Low	8 Å²	8	30.1 Å²	30.1	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-72.1	-46.1	174.4	-173.5	157.7	0	0	0	111.3	S190 I191 Y192 Y196 W197 V198 L529 F560 L563	S190-L194 PolarHBondContact O-N 2.9Å; I191-L194 PolarHBondContact O-N 3.45Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-L194 PolarHBondContact O-N 3.47Å; L194-Y196 VanDerWaalsContact C-N 3.28Å; L194-Y196 PolarHBondContact O-N 2.9Å; L194-W197 WeakPolarHBondContact O-CA 3.17Å; L194-W197 WeakPolarHBondContact O-CB 3.38Å; L194-W197 PolarHBondContact O-N 3.36Å; L194-V198 HydrophobicContact CD2-CG2 4.35Å; L194-V198 PolarHBondContact O-N 3.05Å; L194-V198 VanDerWaalsContact O-N 3.1Å; L194-L529 HydrophobicContact CD2-CD1 3.74Å; L194-F560 HydrophobicContact CD1-CB 4.21Å; L194-F560 HydrophobicContact CD1-CD2 3.98Å; L194-F560 HydrophobicContact CD2-CB 3.93Å; L194-F560 HydrophobicContact CD2-CD2 3.44Å; L194-F560 VanDerWaalsContact CD2-CD2 3.44Å; L194-F560 HydrophobicContact CD2-CE2 4.22Å; L194-F560 HydrophobicContact CD2-CG 3.91Å; L194-F560 HydrophobicContact CG-CD2 4.33Å; L194-L563 HydrophobicContact CD1-CD1 4.07Å
195	V	62.4	Low	64.5	Low	27 Å²	27	31.5 Å²	31.5	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-53.7	-48.3	173.8	172.7	0	0	0	0	109.7	I191 Y192 W197 V198 Y199 P525 L529	I191-V195 HydrophobicContact CG2-CG2 4.46Å; I191-V195 WeakPolarHBondContact O-CG2 3.37Å; I191-V195 PolarHBondContact O-N 2.83Å; Y192-V195 PolarHBondContact O-N 3.37Å; V195-W197 VanDerWaalsContact C-N 3.3Å; V195-W197 PolarHBondContact O-N 2.93Å; V195-V198 PolarHBondContact O-N 3.36Å; V195-Y199 HydrophobicContact CG1-CD2 3.73Å; V195-Y199 HydrophobicContact CG1-CE2 4.08Å; V195-Y199 WeakPolarHBondContact O-CB 3.33Å; V195-Y199 WeakPolarHBondContact O-CD2 3.45Å; V195-Y199 PolarHBondContact O-N 3.22Å; V195-P525 HydrophobicContact CG2-CB 3.93Å; V195-L529 HydrophobicContact CG2-CD1 3.97Å
196	Y	64.8	Low	64.6	Low	5 Å²	5	34.4 Å²	34.4	2%	0.02	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-34.9	173.6	161.3	-106.7	0	0	0	113.7	Y192 L194 Y199 R200 I203 I474 P475 I478	Y192-Y196 WeakPolarHBondContact O-CB 3.45Å; Y192-Y196 PolarHBondContact O-N 2.98Å; L194-Y196 VanDerWaalsContact C-N 3.28Å; L194-Y196 PolarHBondContact O-N 2.9Å; Y196-Y199 CarbonylContact O-C 3.54Å; Y196-R200 HydrophobicContact CE2-CG 3.96Å; Y196-R200 WeakPolarHBondContact O-CA 3.35Å; Y196-R200 WeakPolarHBondContact O-CB 3.32Å; Y196-R200 PolarHBondContact O-N 2.76Å; Y196-I203 HydrophobicContact CD2-CD1 4.38Å; Y196-I474 HydrophobicContact CD2-CB 4.27Å; Y196-I474 HydrophobicContact CD2-CG2 3.42Å; Y196-I474 VanDerWaalsContact CD2-CG2 3.42Å; Y196-I474 HydrophobicContact CE2-CB 3.79Å; Y196-I474 HydrophobicContact CE2-CD1 4.05Å; Y196-I474 HydrophobicContact CE2-CG2 3.47Å; Y196-I474 VanDerWaalsContact CE2-CG2 3.47Å; Y196-I474 HydrophobicContact CG-CG2 4.13Å; Y196-P475 HydrophobicContact CD1-CG 4.44Å; Y196-P475 HydrophobicContact CE1-CG 3.7Å; Y196-I478 HydrophobicContact CD1-CD1 4.15Å; Y196-I478 HydrophobicContact CD2-CD1 4.31Å; Y196-I478 HydrophobicContact CG-CD1 3.68Å
197	W	59.8	Low	65.2	Low	92 Å²	92	36.5 Å²	36.5	35%	0.348	18%	0.179	S	C	.	.	H	α-helix	trans	-67	-39.4	177.7	-107.1	95.8	0	0	0	113.1	H193 L194 V195 R200 Y556	H193-W197 AromaticContact CE1-CD1 3.44Å; H193-W197 VanDerWaalsContact CE1-CD1 3.44Å; H193-W197 AromaticContact CE1-NE1 3.47Å; H193-W197 PolarHBondContact CE1-NE1 3.49Å; H193-W197 AromaticContact ND1-CD1 3.9Å; H193-W197 AromaticContact NE2-CD1 3.72Å; H193-W197 AromaticContact NE2-NE1 3.65Å; H193-W197 PolarHBondContact O-N 3.06Å; L194-W197 WeakPolarHBondContact O-CA 3.17Å; L194-W197 WeakPolarHBondContact O-CB 3.38Å; L194-W197 PolarHBondContact O-N 3.36Å; V195-W197 VanDerWaalsContact C-N 3.3Å; V195-W197 PolarHBondContact O-N 2.93Å; W197-R200 VanDerWaalsContact CH2-NH1 3.33Å; W197-R200 WeakPolarHBondContact O-CB 3.02Å; W197-Y556 HydrophobicContact CE3-CE1 4.43Å; W197-Y556 HydrophobicContact CE3-CE2 4.2Å; W197-Y556 AromaticContact CE3-CZ 3.78Å; W197-Y556 WeakPolarHBondContact CZ3-OH 3.21Å
198	V	55.4	Low	65.5	Low	15 Å²	15	37.2 Å²	37.2	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-76.6	-45.5	176.9	179	0	0	0	0	111.1	L194 V195 R200 L529 L553 Y556	L194-V198 HydrophobicContact CD2-CG2 4.35Å; L194-V198 PolarHBondContact O-N 3.05Å; L194-V198 VanDerWaalsContact O-N 3.1Å; V195-V198 PolarHBondContact O-N 3.36Å; V198-R200 PolarHBondContact O-N 3.49Å; V198-L529 HydrophobicContact CB-CD2 3.81Å; V198-L529 HydrophobicContact CG1-CD2 3.66Å; V198-L529 HydrophobicContact CG2-CD2 3.76Å; V198-L553 HydrophobicContact CG1-CD1 3.89Å; V198-L553 HydrophobicContact CG1-CG 4.2Å; V198-Y556 HydrophobicContact CG2-CG 4.2Å
199	Y	62.9	Low	65.7	Low	57 Å²	57	41.5 Å²	41.5	22%	0.224	20%	0.202	C	C	.	.	S	Bend	trans	-81.1	9.9	177.2	-75.9	-86.5	0	0	0	114.1	V195 Y196 T201 P202 I203 S528 A532	V195-Y199 HydrophobicContact CG1-CD2 3.73Å; V195-Y199 HydrophobicContact CG1-CE2 4.08Å; V195-Y199 WeakPolarHBondContact O-CB 3.33Å; V195-Y199 WeakPolarHBondContact O-CD2 3.45Å; V195-Y199 PolarHBondContact O-N 3.22Å; Y196-Y199 CarbonylContact O-C 3.54Å; Y199-T201 VanDerWaalsContact C-N 3.33Å; Y199-T201 PolarHBondContact O-N 2.88Å; Y199-P202 HydrophobicContact CD1-CG 4.01Å; Y199-P202 WeakPolarHBondContact O-CD 3.39Å; Y199-P202 VanDerWaalsContact O-CG 3.29Å; Y199-P202 WeakPolarHBondContact O-CG 3.34Å; Y199-I203 VanDerWaalsContact CB-CD1 3.5Å; Y199-I203 VanDerWaalsContact O-CB 3.29Å; Y199-I203 WeakPolarHBondContact O-CB 3.31Å; Y199-I203 VanDerWaalsContact O-CG1 3.28Å; Y199-I203 WeakPolarHBondContact O-CG1 3.22Å; Y199-I203 PolarHBondContact O-N 3.47Å; Y199-S528 VanDerWaalsContact OH-C 3.27Å; Y199-S528 WeakPolarHBondContact OH-CB 2.98Å; Y199-S528 PolarHBondContact OH-O 2.75Å; Y199-A532 HydrophobicContact CD1-CB 4.49Å; Y199-A532 HydrophobicContact CD2-CB 4.5Å; Y199-A532 HydrophobicContact CE1-CB 3.8Å; Y199-A532 HydrophobicContact CE2-CB 3.82Å; Y199-A532 VanDerWaalsContact CZ-CB 3.48Å
200	R	66.1	Low	66.4	Low	59 Å²	59	45.8 Å²	45.8	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-54.3	-46.9	-171	-165.1	-179.3	-168.1	179.2	7.1	113.2	Y196 W197 V198 I204	Y196-R200 HydrophobicContact CE2-CG 3.96Å; Y196-R200 WeakPolarHBondContact O-CA 3.35Å; Y196-R200 WeakPolarHBondContact O-CB 3.32Å; Y196-R200 PolarHBondContact O-N 2.76Å; W197-R200 VanDerWaalsContact CH2-NH1 3.33Å; W197-R200 WeakPolarHBondContact O-CB 3.02Å; V198-R200 PolarHBondContact O-N 3.49Å; R200-I204 HydrophobicContact CG-CD1 4.1Å; R200-I204 WeakPolarHBondContact O-CB 3.1Å; R200-I204 WeakPolarHBondContact O-CG1 3.31Å; R200-I204 PolarHBondContact O-N 3.21Å; R200-I204 VanDerWaalsContact O-N 3.08Å
201	T	59.8	Low	67.2	Low	48 Å²	48	48.1 Å²	48.1	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-70	-53.1	-179.3	-50.8	0	0	0	0	111.9	Y199 I203 I204 N205 I543	Y199-T201 VanDerWaalsContact C-N 3.33Å; Y199-T201 PolarHBondContact O-N 2.88Å; T201-I203 PolarHBondContact O-N 2.98Å; T201-I204 PolarHBondContact O-N 2.97Å; T201-N205 WeakPolarHBondContact O-CB 3.4Å; T201-N205 VanDerWaalsContact O-CG 3.31Å; T201-N205 PolarHBondContact O-N 3.41Å; T201-I543 HydrophobicContact CG2-CG2 4.11Å
202	P	65.4	Low	67.8	Low	70 Å²	70	50.1 Å²	50.1	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-36.6	176.2	20.8	-31	0	0	0	113.6	Y199 N205 L206	Y199-P202 HydrophobicContact CD1-CG 4.01Å; Y199-P202 WeakPolarHBondContact O-CD 3.39Å; Y199-P202 VanDerWaalsContact O-CG 3.29Å; Y199-P202 WeakPolarHBondContact O-CG 3.34Å; P202-N205 PolarHBondContact O-N 2.76Å; P202-L206 VanDerWaalsContact O-CB 3.27Å; P202-L206 WeakPolarHBondContact O-CB 3.17Å; P202-L206 PolarHBondContact O-N 2.95Å
203	I	69.3	Low	68.3	Low	48 Å²	48	52.2 Å²	52.2	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-49.2	174.4	-71.8	166.3	0	0	0	110.8	Y196 Y199 T201 N205 L206 I207 I474	Y196-I203 HydrophobicContact CD2-CD1 4.38Å; Y199-I203 VanDerWaalsContact CB-CD1 3.5Å; Y199-I203 VanDerWaalsContact O-CB 3.29Å; Y199-I203 WeakPolarHBondContact O-CB 3.31Å; Y199-I203 VanDerWaalsContact O-CG1 3.28Å; Y199-I203 WeakPolarHBondContact O-CG1 3.22Å; Y199-I203 PolarHBondContact O-N 3.47Å; T201-I203 PolarHBondContact O-N 2.98Å; I203-N205 VanDerWaalsContact C-N 3.31Å; I203-N205 PolarHBondContact O-N 3.24Å; I203-L206 PolarHBondContact O-N 3.33Å; I203-I207 HydrophobicContact CG2-CD1 3.62Å; I203-I207 HydrophobicContact CG2-CG1 4.36Å; I203-I207 VanDerWaalsContact O-CG1 3.26Å; I203-I207 WeakPolarHBondContact O-CG1 3.17Å; I203-I207 PolarHBondContact O-N 3.09Å; I203-I474 HydrophobicContact CG2-CD1 4.06Å
204	I	68.9	Low	69	Low	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-36.4	180	-68	171.9	0	0	0	111.1	R200 T201 W208 F466 L467 C470 K471 I474	R200-I204 HydrophobicContact CG-CD1 4.1Å; R200-I204 WeakPolarHBondContact O-CB 3.1Å; R200-I204 WeakPolarHBondContact O-CG1 3.31Å; R200-I204 PolarHBondContact O-N 3.21Å; R200-I204 VanDerWaalsContact O-N 3.08Å; T201-I204 PolarHBondContact O-N 2.97Å; I204-W208 VanDerWaalsContact O-CB 3.25Å; I204-W208 WeakPolarHBondContact O-CB 3.36Å; I204-W208 PolarHBondContact O-N 2.89Å; I204-F466 HydrophobicContact CG2-CD1 4.46Å; I204-F466 HydrophobicContact CG2-CE1 4.28Å; I204-L467 HydrophobicContact CD1-CD2 4.1Å; I204-L467 HydrophobicContact CG2-CD2 3.84Å; I204-L467 HydrophobicContact CG2-CG 4.12Å; I204-C470 HydrophobicContact CD1-CB 4.3Å; I204-C470 HydrophobicContact CG1-CB 4.03Å; I204-C470 HydrophobicContact CG2-CB 4.47Å; I204-K471 HydrophobicContact CD1-CG 3.84Å; I204-I474 HydrophobicContact CG1-CD1 4.01Å
205	N	66	Low	70.1	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-39	174.4	-72.5	-5.5	0	0	0	112.3	T201 P202 I203 W208 H209	T201-N205 WeakPolarHBondContact O-CB 3.4Å; T201-N205 VanDerWaalsContact O-CG 3.31Å; T201-N205 PolarHBondContact O-N 3.41Å; P202-N205 PolarHBondContact O-N 2.76Å; I203-N205 VanDerWaalsContact C-N 3.31Å; I203-N205 PolarHBondContact O-N 3.24Å; N205-W208 PolarHBondContact O-N 3.05Å; N205-H209 PolarHBondContact O-CD2 3.19Å; N205-H209 PolarHBondContact O-N 3.21Å
206	L	73.4	Confident	70.8	Confident	109 Å²	109	61.8 Å²	61.8	57%	0.571	31%	0.311	S	S	*	.	H	α-helix	trans	-64	-49.9	175.6	-176.3	74	0	0	0	111.1	P202 I203 W208 H209 I210	P202-L206 VanDerWaalsContact O-CB 3.27Å; P202-L206 WeakPolarHBondContact O-CB 3.17Å; P202-L206 PolarHBondContact O-N 2.95Å; I203-L206 PolarHBondContact O-N 3.33Å; L206-W208 VanDerWaalsContact C-N 3.27Å; L206-W208 PolarHBondContact O-N 3.31Å; L206-H209 WeakPolarHBondContact O-CB 3.41Å; L206-H209 PolarHBondContact O-N 2.95Å; L206-I210 HydrophobicContact CG-CD1 4.05Å; L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.09Å
207	I	77.9	Confident	71.5	Confident	55 Å²	55	67 Å²	67	28%	0.282	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-38.1	177.4	-58.2	164.5	0	0	0	109.8	I203 I210 C211 F466 I474	I203-I207 HydrophobicContact CG2-CD1 3.62Å; I203-I207 HydrophobicContact CG2-CG1 4.36Å; I203-I207 VanDerWaalsContact O-CG1 3.26Å; I203-I207 WeakPolarHBondContact O-CG1 3.17Å; I203-I207 PolarHBondContact O-N 3.09Å; I207-I210 PolarHBondContact O-N 3.03Å; I207-C211 VanDerWaalsContact O-CB 3.32Å; I207-C211 WeakPolarHBondContact O-CB 3.41Å; I207-C211 PolarHBondContact O-N 3.24Å; I207-C211 PolarHBondContact O-SG 3.33Å; I207-F466 HydrophobicContact CB-CZ 4.49Å; I207-F466 HydrophobicContact CG2-CZ 3.99Å; I207-I474 HydrophobicContact CD1-CD1 3.71Å; I207-I474 HydrophobicContact CD1-CG1 4.28Å
208	W	73.7	Confident	72.5	Confident	35 Å²	35	66.5 Å²	66.5	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-45.4	173.2	178.9	-107.8	0	0	0	112.7	I204 N205 L206 I210 C211 F212 P460 P462 T463 F466	I204-W208 VanDerWaalsContact O-CB 3.25Å; I204-W208 WeakPolarHBondContact O-CB 3.36Å; I204-W208 PolarHBondContact O-N 2.89Å; N205-W208 PolarHBondContact O-N 3.05Å; L206-W208 VanDerWaalsContact C-N 3.27Å; L206-W208 PolarHBondContact O-N 3.31Å; W208-I210 PolarHBondContact O-N 2.65Å; W208-C211 PolarHBondContact O-N 2.98Å; W208-F212 VanDerWaalsContact O-CB 3.24Å; W208-F212 WeakPolarHBondContact O-CB 3.4Å; W208-F212 PolarHBondContact O-N 3.33Å; W208-P460 PolarHBondContact NE1-O 3.19Å; W208-P462 HydrophobicContact CB-CB 4.16Å; W208-P462 HydrophobicContact CD2-CB 3.89Å; W208-P462 HydrophobicContact CE3-CB 4.34Å; W208-P462 HydrophobicContact CG-CB 3.79Å; W208-T463 HydrophobicContact CH2-CG2 3.85Å; W208-T463 HydrophobicContact CZ2-CG2 4.43Å; W208-F466 HydrophobicContact CB-CD1 4.35Å; W208-F466 HydrophobicContact CB-CE1 3.69Å; W208-F466 HydrophobicContact CB-CZ 4.2Å; W208-F466 HydrophobicContact CD2-CD1 4.31Å; W208-F466 HydrophobicContact CD2-CE1 4.36Å; W208-F466 HydrophobicContact CE3-CB 4.1Å; W208-F466 AromaticContact CE3-CD1 3.48Å; W208-F466 HydrophobicContact CE3-CD1 3.48Å; W208-F466 VanDerWaalsContact CE3-CD1 3.48Å; W208-F466 AromaticContact CE3-CD2 3.78Å; W208-F466 HydrophobicContact CE3-CD2 3.78Å; W208-F466 AromaticContact CE3-CE1 3.71Å; W208-F466 HydrophobicContact CE3-CE1 3.71Å; W208-F466 AromaticContact CE3-CE2 3.98Å; W208-F466 HydrophobicContact CE3-CE2 3.98Å; W208-F466 AromaticContact CE3-CG 3.5Å; W208-F466 HydrophobicContact CE3-CG 3.5Å; W208-F466 AromaticContact CE3-CZ 3.93Å; W208-F466 HydrophobicContact CE3-CZ 3.93Å; W208-F466 HydrophobicContact CG-CE1 4.41Å; W208-F466 HydrophobicContact CZ3-CB 3.86Å; W208-F466 HydrophobicContact CZ3-CD1 4.15Å; W208-F466 AromaticContact CZ3-CD2 3.93Å; W208-F466 HydrophobicContact CZ3-CD2 3.93Å; W208-F466 HydrophobicContact CZ3-CE2 4.48Å; W208-F466 AromaticContact CZ3-CG 3.72Å; W208-F466 HydrophobicContact CZ3-CG 3.72Å
209	H	72.1	Confident	73.7	Confident	90 Å²	90	69 Å²	69	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-56.8	-48	174	-99	-96.4	0	0	0	111.5	N205 L206 F212 I213 V459	N205-H209 PolarHBondContact O-CD2 3.19Å; N205-H209 PolarHBondContact O-N 3.21Å; L206-H209 WeakPolarHBondContact O-CB 3.41Å; L206-H209 PolarHBondContact O-N 2.95Å; H209-F212 PolarHBondContact O-N 2.98Å; H209-I213 WeakPolarHBondContact O-CB 3.37Å; H209-I213 WeakPolarHBondContact O-CD1 3.42Å; H209-I213 VanDerWaalsContact O-CG1 3.23Å; H209-I213 WeakPolarHBondContact O-CG1 3.07Å; H209-I213 PolarHBondContact O-N 3.39Å; H209-V459 VanDerWaalsContact CE1-CG2 3.49Å; H209-V459 WeakPolarHBondContact CE1-CG2 3.47Å
210	I	79.4	Confident	74.4	Confident	91 Å²	91	72 Å²	72	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-50.8	178	-65.9	164.9	0	0	0	110.3	L206 I207 W208 F212 I213 C214	L206-I210 HydrophobicContact CG-CD1 4.05Å; L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.09Å; I207-I210 PolarHBondContact O-N 3.03Å; W208-I210 PolarHBondContact O-N 2.65Å; I210-F212 VanDerWaalsContact C-N 3.29Å; I210-F212 PolarHBondContact O-N 2.91Å; I210-I213 PolarHBondContact O-N 3.35Å; I210-C214 WeakPolarHBondContact O-CB 3.33Å; I210-C214 PolarHBondContact O-N 2.95Å; I210-C214 PolarHBondContact O-SG 3.33Å; I210-C214 VanDerWaalsContact O-SG 3.32Å
211	C	80.1	Confident	74.8	Confident	57 Å²	57	73.3 Å²	73.3	39%	0.385	38%	0.383	S	S	.	.	H	α-helix	trans	-59.8	-37.3	177	-73	0	0	0	0	112.8	I207 W208 K215 F466	I207-C211 VanDerWaalsContact O-CB 3.32Å; I207-C211 WeakPolarHBondContact O-CB 3.41Å; I207-C211 PolarHBondContact O-N 3.24Å; I207-C211 PolarHBondContact O-SG 3.33Å; W208-C211 PolarHBondContact O-N 2.98Å; C211-K215 WeakPolarHBondContact O-CB 3.41Å; C211-K215 PolarHBondContact O-N 3.49Å; C211-F466 HydrophobicContact CB-CE2 4.27Å; C211-F466 HydrophobicContact CB-CZ 4.44Å
212	F	76.8	Confident	75.6	Confident	48 Å²	48	77.6 Å²	77.6	21%	0.211	39%	0.394	C	S	.	.	H	α-helix	trans	-69.5	-45.1	177.7	-173.1	-100.5	0	0	0	111.6	W208 H209 I210 K215 L216 I457 V459 P460	W208-F212 VanDerWaalsContact O-CB 3.24Å; W208-F212 WeakPolarHBondContact O-CB 3.4Å; W208-F212 PolarHBondContact O-N 3.33Å; H209-F212 PolarHBondContact O-N 2.98Å; I210-F212 VanDerWaalsContact C-N 3.29Å; I210-F212 PolarHBondContact O-N 2.91Å; F212-K215 PolarHBondContact O-N 3.28Å; F212-L216 HydrophobicContact CD1-CD1 4.03Å; F212-L216 HydrophobicContact CE1-CD1 3.56Å; F212-L216 HydrophobicContact CZ-CD1 4.18Å; F212-L216 WeakPolarHBondContact O-CB 3.31Å; F212-L216 PolarHBondContact O-N 2.9Å; F212-I457 HydrophobicContact CE1-CG2 3.89Å; F212-V459 HydrophobicContact CB-CG1 4.18Å; F212-V459 HydrophobicContact CD1-CB 4.25Å; F212-V459 HydrophobicContact CD1-CG1 3.87Å; F212-V459 HydrophobicContact CD1-CG2 3.79Å; F212-V459 HydrophobicContact CE1-CB 4.46Å; F212-V459 HydrophobicContact CE1-CG1 4.44Å; F212-V459 HydrophobicContact CE1-CG2 4.05Å; F212-V459 HydrophobicContact CG-CG1 4.01Å; F212-P460 HydrophobicContact CD2-CG 4.28Å; F212-P460 VanDerWaalsContact CE2-CD 3.5Å; F212-P460 HydrophobicContact CE2-CG 3.72Å; F212-P460 VanDerWaalsContact CZ-CD 3.45Å; F212-P460 HydrophobicContact CZ-CG 4.13Å
213	I	77.2	Confident	76.2	Confident	100 Å²	100	77.6 Å²	77.6	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-61.8	-47.7	175.4	-69.3	164.7	0	0	0	110.6	H209 I210 K215 L216 H217	H209-I213 WeakPolarHBondContact O-CB 3.37Å; H209-I213 WeakPolarHBondContact O-CD1 3.42Å; H209-I213 VanDerWaalsContact O-CG1 3.23Å; H209-I213 WeakPolarHBondContact O-CG1 3.07Å; H209-I213 PolarHBondContact O-N 3.39Å; I210-I213 PolarHBondContact O-N 3.35Å; I213-K215 VanDerWaalsContact C-N 3.33Å; I213-K215 PolarHBondContact O-N 3.04Å; I213-L216 WeakPolarHBondContact O-CB 3.3Å; I213-L216 PolarHBondContact O-N 3.18Å; I213-H217 WeakPolarHBondContact O-CB 3.46Å; I213-H217 PolarHBondContact O-N 3.42Å
214	C	79.6	Confident	76.4	Confident	68 Å²	68	79.2 Å²	79.2	46%	0.459	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-41.5	174.9	-69.6	0	0	0	0	111.8	I210 H217 C218	I210-C214 WeakPolarHBondContact O-CB 3.33Å; I210-C214 PolarHBondContact O-N 2.95Å; I210-C214 PolarHBondContact O-SG 3.33Å; I210-C214 VanDerWaalsContact O-SG 3.32Å; C214-H217 PolarHBondContact O-N 3.02Å; C214-C218 WeakPolarHBondContact O-CB 3.41Å; C214-C218 PolarHBondContact O-N 3.31Å; C214-C218 PolarHBondContact O-SG 2.89Å
215	K	81.8	Confident	76.6	Confident	137 Å²	137	83.2 Å²	83.2	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-66.3	-37.6	176.9	-170.1	174.9	-176	180	0	112.4	C211 F212 I213 N219	C211-K215 WeakPolarHBondContact O-CB 3.41Å; C211-K215 PolarHBondContact O-N 3.49Å; F212-K215 PolarHBondContact O-N 3.28Å; I213-K215 VanDerWaalsContact C-N 3.33Å; I213-K215 PolarHBondContact O-N 3.04Å; K215-N219 VanDerWaalsContact O-CB 3.31Å; K215-N219 WeakPolarHBondContact O-CB 3.29Å; K215-N219 VanDerWaalsContact O-CG 3.23Å; K215-N219 PolarHBondContact O-N 2.85Å; K215-N219 PolarHBondContact O-ND2 3.04Å
216	L	77	Confident	77	Confident	75 Å²	75	86.4 Å²	86.4	39%	0.393	43%	0.433	S	S	.	.	H	α-helix	trans	-61.6	-46	171.2	-110.6	164.2	0	0	0	111.3	F212 I213 N219 K220 I457	F212-L216 HydrophobicContact CD1-CD1 4.03Å; F212-L216 HydrophobicContact CE1-CD1 3.56Å; F212-L216 HydrophobicContact CZ-CD1 4.18Å; F212-L216 WeakPolarHBondContact O-CB 3.31Å; F212-L216 PolarHBondContact O-N 2.9Å; I213-L216 WeakPolarHBondContact O-CB 3.3Å; I213-L216 PolarHBondContact O-N 3.18Å; L216-N219 PolarHBondContact O-N 2.84Å; L216-K220 PolarHBondContact O-N 3Å; L216-I457 HydrophobicContact CD1-CD1 4.45Å; L216-I457 HydrophobicContact CD1-CG2 3.9Å
217	H	79.1	Confident	76.8	Confident	115 Å²	115	90.8 Å²	90.8	53%	0.532	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-45.6	179.9	-159.1	90.7	0	0	0	111.9	I213 C214 N219 K220 L221	I213-H217 WeakPolarHBondContact O-CB 3.46Å; I213-H217 PolarHBondContact O-N 3.42Å; C214-H217 PolarHBondContact O-N 3.02Å; H217-N219 VanDerWaalsContact C-N 3.34Å; H217-N219 PolarHBondContact O-N 2.97Å; H217-K220 PolarHBondContact O-N 3.19Å; H217-L221 WeakPolarHBondContact O-CG 3.16Å; H217-L221 PolarHBondContact O-N 3.2Å
218	C	80.4	Confident	76.4	Confident	80 Å²	80	93.7 Å²	93.7	54%	0.541	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-37.5	173.8	-70.2	0	0	0	0	112.6	C214 R222	C214-C218 WeakPolarHBondContact O-CB 3.41Å; C214-C218 PolarHBondContact O-N 3.31Å; C214-C218 PolarHBondContact O-SG 2.89Å; C218-R222 VanDerWaalsContact O-CB 3.29Å; C218-R222 WeakPolarHBondContact O-CB 3.15Å; C218-R222 PolarHBondContact O-N 3.33Å
219	N	79.9	Confident	76.1	Confident	69 Å²	69	94.6 Å²	94.6	37%	0.369	47%	0.472	S	S	.	.	H	α-helix	trans	-64.8	-45.4	172.8	-79.3	-19	0	0	0	111.5	K215 L216 H217 R222 D223	K215-N219 VanDerWaalsContact O-CB 3.31Å; K215-N219 WeakPolarHBondContact O-CB 3.29Å; K215-N219 VanDerWaalsContact O-CG 3.23Å; K215-N219 PolarHBondContact O-N 2.85Å; K215-N219 PolarHBondContact O-ND2 3.04Å; L216-N219 PolarHBondContact O-N 2.84Å; H217-N219 VanDerWaalsContact C-N 3.34Å; H217-N219 PolarHBondContact O-N 2.97Å; N219-R222 PolarHBondContact O-N 2.92Å; N219-D223 PolarHBondContact O-N 3.18Å
220	K	77.9	Confident	75.9	Confident	119 Å²	119	92.9 Å²	92.9	52%	0.517	47%	0.474	S	S	.	.	H	α-helix	trans	-57.8	-50.4	176.2	-176.1	177	-176.8	-75.1	0	111.4	L216 H217 R222 D223 E224	L216-K220 PolarHBondContact O-N 3Å; H217-K220 PolarHBondContact O-N 3.19Å; K220-R222 VanDerWaalsContact C-N 3.3Å; K220-R222 PolarHBondContact O-N 2.96Å; K220-D223 PolarHBondContact O-N 2.77Å; K220-E224 WeakPolarHBondContact CE-OE1 3.22Å; K220-E224 IonicContact NZ-OE1 3.77Å; K220-E224 PolarHBondContact NZ-OE1 2.84Å; K220-E224 IonicContact NZ-OE2 2.69Å; K220-E224 PolarHBondContact NZ-OE2 3.03Å; K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 WeakPolarHBondContact O-CG 3.41Å; K220-E224 PolarHBondContact O-N 3.36Å
221	L	75	Confident	75	Confident	87 Å²	87	91 Å²	91	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-58.3	-39.6	175.5	-72.9	170.3	0	0	0	112.4	H217 T225	H217-L221 WeakPolarHBondContact O-CG 3.16Å; H217-L221 PolarHBondContact O-N 3.2Å; L221-T225 PolarHBondContact O-N 3.47Å; L221-T225 PolarHBondContact O-OG1 3.34Å
222	R	77	Confident	74	Confident	138 Å²	138	97.9 Å²	97.9	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-69.1	-36.4	178	-164.2	-177.5	70.5	156.2	-0.1	112.6	C218 N219 K220 T225 K226	C218-R222 VanDerWaalsContact O-CB 3.29Å; C218-R222 WeakPolarHBondContact O-CB 3.15Å; C218-R222 PolarHBondContact O-N 3.33Å; N219-R222 PolarHBondContact O-N 2.92Å; K220-R222 VanDerWaalsContact C-N 3.3Å; K220-R222 PolarHBondContact O-N 2.96Å; R222-T225 WeakPolarHBondContact CA-OG1 3.36Å; R222-T225 PolarHBondContact O-OG1 3.01Å; R222-K226 VanDerWaalsContact O-CG 3.3Å; R222-K226 WeakPolarHBondContact O-CG 3.47Å; R222-K226 PolarHBondContact O-N 2.89Å
223	D	77.1	Confident	73	Confident	70 Å²	70	103.1 Å²	103.1	37%	0.374	51%	0.513	S	S	.	.	H	α-helix	trans	-84.7	-25.1	-179.5	-65.7	-24.7	0	0	0	112.1	N219 K220 K226 R227	N219-D223 PolarHBondContact O-N 3.18Å; K220-D223 PolarHBondContact O-N 2.77Å; D223-K226 WeakPolarHBondContact OD1-CD 3.31Å; D223-K226 VanDerWaalsContact OD1-CE 3.29Å; D223-K226 WeakPolarHBondContact OD1-CE 3.08Å; D223-K226 IonicContact OD1-NZ 3.97Å; D223-K226 PolarHBondContact OD1-NZ 2.93Å; D223-R227 WeakPolarHBondContact O-CB 3.27Å; D223-R227 WeakPolarHBondContact O-CG 3.28Å; D223-R227 PolarHBondContact O-N 3.44Å
224	E	74.3	Confident	72	Confident	81 Å²	81	102.7 Å²	102.7	38%	0.379	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-46.8	164.1	-76.9	173.2	172.2	0	0	111.6	K220 K226 R227 L228	K220-E224 WeakPolarHBondContact CE-OE1 3.22Å; K220-E224 IonicContact NZ-OE1 3.77Å; K220-E224 PolarHBondContact NZ-OE1 2.84Å; K220-E224 IonicContact NZ-OE2 2.69Å; K220-E224 PolarHBondContact NZ-OE2 3.03Å; K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 WeakPolarHBondContact O-CG 3.41Å; K220-E224 PolarHBondContact O-N 3.36Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.4Å; E224-R227 PolarHBondContact O-N 2.68Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-L228 WeakPolarHBondContact O-CG 3.36Å; E224-L228 PolarHBondContact O-N 3.35Å
225	T	73.4	Confident	70.7	Confident	86 Å²	86	102.1 Å²	102.1	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-36.2	173.8	42.1	0	0	0	0	112.7	L221 R222 A229	L221-T225 PolarHBondContact O-N 3.47Å; L221-T225 PolarHBondContact O-OG1 3.34Å; R222-T225 WeakPolarHBondContact CA-OG1 3.36Å; R222-T225 PolarHBondContact O-OG1 3.01Å; T225-A229 VanDerWaalsContact O-CB 3.27Å; T225-A229 WeakPolarHBondContact O-CB 3.02Å; T225-A229 PolarHBondContact O-N 3.37Å
226	K	74.7	Confident	69.2	Low	104 Å²	104	100.3 Å²	100.3	45%	0.452	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-44.4	168.6	-75.6	175.8	-163.4	163.2	0	112.6	R222 D223 E224 A229 A230	R222-K226 VanDerWaalsContact O-CG 3.3Å; R222-K226 WeakPolarHBondContact O-CG 3.47Å; R222-K226 PolarHBondContact O-N 2.89Å; D223-K226 WeakPolarHBondContact OD1-CD 3.31Å; D223-K226 VanDerWaalsContact OD1-CE 3.29Å; D223-K226 WeakPolarHBondContact OD1-CE 3.08Å; D223-K226 IonicContact OD1-NZ 3.97Å; D223-K226 PolarHBondContact OD1-NZ 2.93Å; E224-K226 VanDerWaalsContact C-N 3.34Å; E224-K226 PolarHBondContact O-N 3.4Å; K226-A229 PolarHBondContact O-N 2.87Å; K226-A230 WeakPolarHBondContact O-CB 3.31Å; K226-A230 PolarHBondContact O-N 3.32Å
227	R	69.4	Low	67.9	Low	202 Å²	202	104.6 Å²	104.6	76%	0.762	53%	0.53	S	S	*	.	H	α-helix	trans	-62.3	-44	178	-84.1	-179.6	164.3	-169.6	-5.1	111.5	D223 E224 A230 A231	D223-R227 WeakPolarHBondContact O-CB 3.27Å; D223-R227 WeakPolarHBondContact O-CG 3.28Å; D223-R227 PolarHBondContact O-N 3.44Å; E224-R227 PolarHBondContact O-N 2.68Å; E224-R227 VanDerWaalsContact O-N 3.11Å; R227-A230 PolarHBondContact O-N 3.43Å; R227-A231 WeakPolarHBondContact O-CB 3.43Å; R227-A231 PolarHBondContact O-N 2.85Å
228	L	69	Low	66.5	Low	116 Å²	116	104 Å²	104	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-63.1	-41.5	174.5	-68.3	168.2	0	0	0	112	E224 A230 A231 R232	E224-L228 WeakPolarHBondContact O-CG 3.36Å; E224-L228 PolarHBondContact O-N 3.35Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.96Å; L228-A231 PolarHBondContact O-N 2.04Å; L228-R232 WeakPolarHBondContact O-CG 3.13Å; L228-R232 PolarHBondContact O-N 3.15Å
229	A	67	Low	64.9	Low	53 Å²	53	104.2 Å²	104.2	44%	0.438	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-29.1	175	0	0	0	0	0	113.4	T225 K226 K233	T225-A229 VanDerWaalsContact O-CB 3.27Å; T225-A229 WeakPolarHBondContact O-CB 3.02Å; T225-A229 PolarHBondContact O-N 3.37Å; K226-A229 PolarHBondContact O-N 2.87Å; A229-K233 WeakPolarHBondContact O-CG 3.34Å; A229-K233 PolarHBondContact O-N 3.22Å
230	A	68.3	Low	63.3	Low	54 Å²	54	109.1 Å²	109.1	45%	0.446	56%	0.561	S	S	.	*	H	α-helix	trans	-74.5	-45.5	172.9	0	0	0	0	0	111.5	K226 R227 L228 R232 K233 T234	K226-A230 WeakPolarHBondContact O-CB 3.31Å; K226-A230 PolarHBondContact O-N 3.32Å; R227-A230 PolarHBondContact O-N 3.43Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.96Å; A230-R232 VanDerWaalsContact C-N 3.34Å; A230-R232 PolarHBondContact O-N 2.93Å; A230-K233 WeakPolarHBondContact O-CA 3.14Å; A230-K233 WeakPolarHBondContact O-CB 3.3Å; A230-K233 PolarHBondContact O-N 2.71Å; A230-T234 PolarHBondContact O-N 2.92Å; A230-T234 PolarHBondContact O-OG1 3.04Å
231	A	61.1	Low	61.6	Low	53 Å²	53	109.3 Å²	109.3	44%	0.438	57%	0.572	S	S	.	*	H	α-helix	trans	-59.7	-41.4	176.9	0	0	0	0	0	112.3	R227 L228 K233 T234 A235	R227-A231 WeakPolarHBondContact O-CB 3.43Å; R227-A231 PolarHBondContact O-N 2.85Å; L228-A231 PolarHBondContact O-N 2.04Å; A231-K233 PolarHBondContact O-N 3.15Å; A231-T234 WeakPolarHBondContact CA-OG1 3.12Å; A231-T234 PolarHBondContact O-N 3.01Å; A231-T234 PolarHBondContact O-OG1 2.67Å; A231-T234 VanDerWaalsContact O-OG1 3.06Å; A231-A235 PolarHBondContact O-N 2.89Å
232	R	57.8	Low	60.1	Low	201 Å²	201	110 Å²	110	76%	0.758	58%	0.584	S	S	*	*	H	α-helix	trans	-60.9	-31.2	171.7	-75.5	-177.2	175.1	-176.3	-1.3	112.8	L228 A230 V236	L228-R232 WeakPolarHBondContact O-CG 3.13Å; L228-R232 PolarHBondContact O-N 3.15Å; A230-R232 VanDerWaalsContact C-N 3.34Å; A230-R232 PolarHBondContact O-N 2.93Å; R232-V236 VanDerWaalsContact O-CG2 3.29Å; R232-V236 WeakPolarHBondContact O-CG2 3.21Å; R232-V236 PolarHBondContact O-N 2.83Å
233	K	56.6	Low	58.6	Low	158 Å²	158	108.9 Å²	108.9	69%	0.687	60%	0.595	S	S	*	*	H	α-helix	trans	-79.2	-30.4	177.5	-74.7	176.7	179	-178.3	0	113.8	A229 A230 A231	A229-K233 WeakPolarHBondContact O-CG 3.34Å; A229-K233 PolarHBondContact O-N 3.22Å; A230-K233 WeakPolarHBondContact O-CA 3.14Å; A230-K233 WeakPolarHBondContact O-CB 3.3Å; A230-K233 PolarHBondContact O-N 2.71Å; A231-K233 PolarHBondContact O-N 3.15Å
234	T	54.8	Low	56.7	Low	90 Å²	90	114.6 Å²	114.6	55%	0.552	62%	0.616	S	S	*	*	H	α-helix	trans	-74	-41.8	172.4	36.5	0	0	0	0	111.8	A230 A231 V236 K237 T238	A230-T234 PolarHBondContact O-N 2.92Å; A230-T234 PolarHBondContact O-OG1 3.04Å; A231-T234 WeakPolarHBondContact CA-OG1 3.12Å; A231-T234 PolarHBondContact O-N 3.01Å; A231-T234 PolarHBondContact O-OG1 2.67Å; A231-T234 VanDerWaalsContact O-OG1 3.06Å; T234-V236 VanDerWaalsContact C-N 3.29Å; T234-V236 PolarHBondContact O-N 2.69Å; T234-K237 WeakPolarHBondContact O-CA 3.28Å; T234-K237 WeakPolarHBondContact O-CB 3.2Å; T234-K237 PolarHBondContact O-N 2.98Å; T234-T238 PolarHBondContact O-N 2.77Å; T234-T238 VanDerWaalsContact O-N 3.14Å; T234-T238 PolarHBondContact O-OG1 2.72Å
235	A	52.6	Low	54.8	Low	56 Å²	56	121.4 Å²	121.4	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-57.7	-39.6	175.5	0	0	0	0	0	113	A231 K237 T238 A239	A231-A235 PolarHBondContact O-N 2.89Å; A235-K237 PolarHBondContact O-N 3.17Å; A235-T238 PolarHBondContact O-N 2.74Å; A235-T238 PolarHBondContact O-OG1 3.36Å; A235-A239 WeakPolarHBondContact O-CB 3.29Å; A235-A239 PolarHBondContact O-N 2.95Å; A235-A239 VanDerWaalsContact O-N 3.13Å
236	V	51.8	Low	52.9	Low	100 Å²	100	128.5 Å²	128.5	61%	0.606	66%	0.657	S	S	*	*	H	α-helix	trans	-70.5	-17.2	175.9	171.6	0	0	0	0	112.9	R232 T234	R232-V236 VanDerWaalsContact O-CG2 3.29Å; R232-V236 WeakPolarHBondContact O-CG2 3.21Å; R232-V236 PolarHBondContact O-N 2.83Å; T234-V236 VanDerWaalsContact C-N 3.29Å; T234-V236 PolarHBondContact O-N 2.69Å
237	K	49	Very low	51.2	Low	164 Å²	164	129.4 Å²	129.4	71%	0.713	68%	0.677	S	S	*	*	H	α-helix	trans	-83.5	-44.2	172.1	-79.4	-169.4	170.6	-167.4	0	112.6	T234 A235 A239 K240	T234-K237 WeakPolarHBondContact O-CA 3.28Å; T234-K237 WeakPolarHBondContact O-CB 3.2Å; T234-K237 PolarHBondContact O-N 2.98Å; A235-K237 PolarHBondContact O-N 3.17Å; K237-A239 VanDerWaalsContact C-N 3.25Å; K237-A239 PolarHBondContact O-N 3.06Å; K237-K240 PolarHBondContact O-N 3.19Å
238	T	48.6	Very low	49.7	Very low	103 Å²	103	129.4 Å²	129.4	63%	0.632	68%	0.682	S	S	*	*	H	α-helix	trans	-66.6	-27.4	176.3	41.1	0	0	0	0	112.5	T234 A235 K240 T241	T234-T238 PolarHBondContact O-N 2.77Å; T234-T238 VanDerWaalsContact O-N 3.14Å; T234-T238 PolarHBondContact O-OG1 2.72Å; A235-T238 PolarHBondContact O-N 2.74Å; A235-T238 PolarHBondContact O-OG1 3.36Å; T238-K240 PolarHBondContact O-N 3.37Å; T238-K240 VanDerWaalsContact O-N 3.16Å; T238-T241 PolarHBondContact O-N 3.23Å; T238-T241 PolarHBondContact O-OG1 3.13Å
239	A	47.3	Very low	48.2	Very low	85 Å²	85	132.5 Å²	132.5	70%	0.702	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-5.2	170.3	0	0	0	0	0	115	A235 K237	A235-A239 WeakPolarHBondContact O-CB 3.29Å; A235-A239 PolarHBondContact O-N 2.95Å; A235-A239 VanDerWaalsContact O-N 3.13Å; K237-A239 VanDerWaalsContact C-N 3.25Å; K237-A239 PolarHBondContact O-N 3.06Å
240	K	46.9	Very low	47.1	Very low	172 Å²	172	136 Å²	136	75%	0.748	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	1.6	179	-75.9	-161.6	170.2	-164.7	0	115.1	K237 T238 S242	K237-K240 PolarHBondContact O-N 3.19Å; T238-K240 PolarHBondContact O-N 3.37Å; T238-K240 VanDerWaalsContact O-N 3.16Å; K240-S242 PolarHBondContact O-N 2.75Å
241	T	41.4	Very low	45.6	Very low	122 Å²	122	140.3 Å²	140.3	75%	0.748	73%	0.732	S	S	*	*			trans	-87.8	74.2	171.7	44.1	0	0	0	0	111.1	T238	T238-T241 PolarHBondContact O-N 3.23Å; T238-T241 PolarHBondContact O-OG1 3.13Å
242	S	44	Very low	44.4	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	75%	0.748	S	S	*	*			trans	-110.8	144.7	161.5	59.4	0	0	0	0	110	K240	K240-S242 PolarHBondContact O-N 2.75Å
243	P	45.5	Very low	43.2	Very low	115 Å²	115	144 Å²	144	75%	0.747	76%	0.758	S	S	*	*			trans	-89.3	167.7	-167.8	35	-37	0	0	0	114.1
244	K	36.7	Very low	42.1	Very low	189 Å²	189	139.8 Å²	139.8	82%	0.822	76%	0.76	S	S	*	*			trans	97.4	142.7	-174.1	-60.2	159.7	-176.1	172.1	0	112.2
245	R	34.4	Very low	41.3	Very low	225 Å²	225	146.9 Å²	146.9	85%	0.849	78%	0.776	S	S	*	*			cis	-151.5	157.9	5.4	-132.3	168.9	-171.9	171.5	-0.5	110.5
246	Y	35.1	Very low	40.6	Very low	235 Å²	235	149.6 Å²	149.6	92%	0.922	79%	0.787	S	S	*	*			trans	-64.8	129.7	164	-87.1	-114.8	0	0	0	110.4
247	S	37.1	Very low	40.1	Very low	122 Å²	122	149.6 Å²	149.6	85%	0.853	79%	0.791	S	S	*	*			trans	-169.8	151.8	139.3	55.9	0	0	0	0	112.4
248	K	37.8	Very low	39.4	Very low	202 Å²	202	149.7 Å²	149.7	88%	0.878	79%	0.794	S	S	*	*			trans	-59.6	152.7	-171.3	-56.2	166.4	177.1	177.2	0	114.6
249	Q	39.2	Very low	38.7	Very low	181 Å²	181	157.2 Å²	157.2	85%	0.846	81%	0.812	S	S	*	*			trans	-66.7	160.3	152	-70.9	-177.5	-35.9	0	0	110.3
250	P	42.6	Very low	38.1	Very low	127 Å²	127	156 Å²	156	83%	0.825	81%	0.807	S	S	*	*				-140.9	178.1	106	39	-26.5	0	0	0	115.5
251	V	37.2	Very low	37.5	Very low	145 Å²	145	158.7 Å²	158.7	88%	0.879	81%	0.814	S	S	*	*			trans	-78.7	147	-177.8	179.2	0	0	0	0	112.4
252	G	35.5	Very low	37.2	Very low	75 Å²	75	158.8 Å²	158.8	77%	0.773	82%	0.815	S	S	*	*			trans	-174.4	123.7	170	0	0	0	0	0	116.4
253	R	33.3	Very low	36.9	Very low	257 Å²	257	161.1 Å²	161.1	97%	0.97	82%	0.819	S	S	*	*			trans	-74.4	159.3	-172.4	-62.9	164.6	162.6	171.3	-6.9	116.6
254	G	33.6	Very low	36.4	Very low	69 Å²	69	164.5 Å²	164.5	71%	0.711	82%	0.822	S	S	*	*			trans	135.1	115.1	156.3	0	0	0	0	0	113.7
255	R	37.4	Very low	36.4	Very low	239 Å²	239	166.1 Å²	166.1	90%	0.902	82%	0.823	S	S	*	*				48.2	122.7	81.5	-80.5	-170.1	166.2	172.8	-5.3	113.2
256	T	38.4	Very low	36.6	Very low	113 Å²	113	167.2 Å²	167.2	69%	0.693	83%	0.827	S	S	*	*			cis	-159.9	175	-0.2	-2.2	0	0	0	0	106.9
257	S	41.9	Very low	36.7	Very low	99 Å²	99	164.8 Å²	164.8	69%	0.692	82%	0.821	S	S	*	*			cis	-124.4	-165.5	15.4	-62.5	0	0	0	0	110.1
258	E	32.5	Very low	36.6	Very low	166 Å²	166	164.1 Å²	164.1	78%	0.776	82%	0.817	S	S	*	*			cis	85.4	150.6	13.8	-35.6	-165.5	81.6	0	0	118.2
259	W	35.6	Very low	36.5	Very low	262 Å²	262	166.5 Å²	166.5	99%	0.992	82%	0.82	S	S	*	*			trans	67.5	123.8	-150.7	-56.8	99.1	0	0	0	115.4
260	G	34.6	Very low	36.3	Very low	59 Å²	59	163 Å²	163	61%	0.608	82%	0.816	S	S	*	*			cis	167	128.4	-15	0	0	0	0	0	113.7
261	Y	33.7	Very low	35.8	Very low	229 Å²	229	162.9 Å²	162.9	90%	0.898	82%	0.818	S	S	*	*			trans	61.8	153.5	169.5	-68.3	-106.8	0	0	0	116.3
262	T	34.4	Very low	35.7	Very low	124 Å²	124	165.8 Å²	165.8	76%	0.761	82%	0.818	S	S	*	*			cis	-155	169.1	-25.2	14.9	0	0	0	0	106
263	D	38.7	Very low	35.6	Very low	150 Å²	150	167.4 Å²	167.4	80%	0.802	82%	0.818	S	S	*	*			cis	-149.6	175.4	18.1	-162.8	6.2	0	0	0	112
264	K	34.6	Very low	35.6	Very low	187 Å²	187	161.8 Å²	161.8	81%	0.813	81%	0.812	S	S	*	*			trans	-105.9	125.4	-171	-61.3	164.4	-177.4	165.4	0	113.2
265	R	37.9	Very low	35.5	Very low	222 Å²	222	169.8 Å²	169.8	84%	0.838	82%	0.821	S	S	*	*			trans	-167.4	106.2	138.1	-110.5	163.9	-168.4	-163.5	7.6	115.4
266	R	37.8	Very low	35	Very low	248 Å²	248	161.6 Å²	161.6	94%	0.936	81%	0.81	S	S	*	*			trans	-128.4	117.5	143.1	-89.1	-171.5	170.8	179.8	0.1	108.8	S268	R266-S268 PolarHBondContact O-N 3.18Å
267	K	37	Very low	34.9	Very low	184 Å²	184	161.7 Å²	161.7	80%	0.8	81%	0.811	S	S	*	*			trans	-84.1	99.6	172.6	-76.4	-176.3	175	179.8	0	109.6
268	S	35.6	Very low	34.3	Very low	108 Å²	108	162.4 Å²	162.4	76%	0.755	81%	0.811	S	S	*	*			trans	-77.9	131.2	152.7	41.8	0	0	0	0	108.7	R266	R266-S268 PolarHBondContact O-N 3.18Å
269	R	35.6	Very low	34.1	Very low	253 Å²	253	162.6 Å²	162.6	96%	0.955	81%	0.813	S	S	*	*			trans	-91.3	103.6	162.5	-89.1	-178.7	163.8	175.8	-5.7	107.5
270	S	35.1	Very low	33.9	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-99.8	155.2	153.6	51.7	0	0	0	0	109.2
271	S	31.6	Very low	33.5	Very low	123 Å²	123	161 Å²	161	86%	0.86	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62	136.7	173.3	26.8	0	0	0	0	110.5
272	K	35.3	Very low	33.3	Very low	206 Å²	206	154.4 Å²	154.4	90%	0.896	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-101	119.6	166.2	-163.8	174.7	-174.3	-179.7	0	108.2
273	S	33.7	Very low	33.2	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73.5	171.4	176.8	49	0	0	0	0	112.2
274	V	32	Very low	32.9	Very low	139 Å²	139	152.5 Å²	152.5	84%	0.842	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-48	141.9	168.4	177.6	0	0	0	0	111
275	R	31.8	Very low	32.8	Very low	237 Å²	237	149 Å²	149	89%	0.894	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-96	126.8	167.6	-175	-175.5	-169.2	177.4	3.3	108.1
276	G	28.1	Very low	32.4	Very low	67 Å²	67	145.6 Å²	145.6	69%	0.691	81%	0.811	S	S	*	*			trans	-141.5	134.8	175.8	0	0	0	0	0	111.8
277	T	34.8	Very low	31.8	Very low	115 Å²	115	138.8 Å²	138.8	71%	0.706	80%	0.801	S	S	*	*			trans	-166.7	105.5	169.5	38.7	0	0	0	0	103.6
278	T	30.4	Very low	31.6	Very low	114 Å²	114	135.4 Å²	135.4	70%	0.699	80%	0.801	S	S	*	*				58.6	122.3	93.2	58	0	0	0	0	112.6
279	E	28.7	Very low	31.3	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	80%	0.8	S	S	*	*			cis	-130.5	-175.3	-4.3	-78	117.6	-161.1	0	0	108.5
280	T	30.9	Very low	31.1	Very low	139 Å²	139	131.1 Å²	131.1	85%	0.853	80%	0.795	S	S	*	*			cis	-152.3	176.7	32.9	45.2	0	0	0	0	113.4
281	V	26.4	Very low	30.7	Very low	149 Å²	149	133 Å²	133	90%	0.903	80%	0.796	S	S	*	*			trans	-100.1	126.6	179.9	175.6	0	0	0	0	112.1
282	A	29.8	Very low	30.8	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	80%	0.799	S	S	*	*			trans	-178.4	113.2	152.3	0	0	0	0	0	107.7
283	A	31	Very low	30.5	Very low	96 Å²	96	130.8 Å²	130.8	79%	0.793	79%	0.79	S	S	*	*				87.3	103.4	69.8	0	0	0	0	0	113.5
284	T	32.8	Very low	30.5	Very low	137 Å²	137	132.4 Å²	132.4	84%	0.84	80%	0.796	S	S	*	*			trans	-75.9	150.9	157.5	37.2	0	0	0	0	109.9
285	P	31.8	Very low	30.2	Very low	115 Å²	115	131.5 Å²	131.5	75%	0.747	79%	0.786	S	S	*	*				-148.3	158.5	104.7	38.1	-22.3	0	0	0	116.7
286	N	29.5	Very low	30.2	Very low	150 Å²	150	125.6 Å²	125.6	80%	0.802	78%	0.776	S	S	*	*			trans	1.6	154.4	132.9	-56.6	4.5	0	0	0	119.3
287	S	26.9	Very low	30.3	Very low	105 Å²	105	130 Å²	130	73%	0.734	78%	0.784	S	S	*	*			cis	178	135.4	-13.2	52.4	0	0	0	0	112.2
288	S	31.6	Very low	29.9	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	79%	0.787	S	S	*	*			trans	-179.4	137	153	45.2	0	0	0	0	108.4
289	S	29.2	Very low	29.9	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	80%	0.796	S	S	*	*			cis	93.4	101.6	26.4	78.5	0	0	0	0	115.2
290	I	32.3	Very low	29.8	Very low	166 Å²	166	133 Å²	133	85%	0.851	79%	0.79	S	S	*	*				-177.1	154.1	128.8	-94.3	156.5	0	0	0	110.5
291	N	26.3	Very low	29.7	Very low	146 Å²	146	134 Å²	134	78%	0.781	79%	0.79	S	S	*	*			trans	-79.1	156	-164.6	-46.7	-37.8	0	0	0	115.1
292	T	32.8	Very low	29.8	Very low	151 Å²	151	131.6 Å²	131.6	93%	0.926	78%	0.777	S	S	*	*			trans	-134.4	140.1	133	-33	0	0	0	0	109.1
293	L	29.8	Very low	29.6	Very low	132 Å²	132	133.2 Å²	133.2	69%	0.691	78%	0.778	S	S	*	*			trans	-113.6	134	-172.4	-175.8	83.9	0	0	0	111
294	T	33	Very low	29.4	Very low	144 Å²	144	134.4 Å²	134.4	88%	0.883	78%	0.78	S	S	*	*			trans	-137	107.2	157.1	38.1	0	0	0	0	110.9
295	N	27.2	Very low	29.1	Very low	120 Å²	120	136.2 Å²	136.2	64%	0.642	78%	0.78	S	S	*	*			trans	-65.7	166.2	165.8	-82.7	-3.5	0	0	0	111.1
296	T	31.6	Very low	28.7	Very low	112 Å²	112	136.6 Å²	136.6	69%	0.687	78%	0.78	S	S	*	*			cis	-157.6	144.7	4.1	-0.9	0	0	0	0	109.9
297	N	29.3	Very low	28.5	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	77%	0.774	S	S	*	*				172.4	93	122.6	-90.7	-8.1	0	0	0	109.8
298	E	26.3	Very low	28.3	Very low	165 Å²	165	136 Å²	136	77%	0.771	78%	0.78	S	S	*	*			trans	-87.1	140.4	167.5	-63.5	-175.1	146.5	0	0	110.4
299	I	31.5	Very low	27.9	Very low	173 Å²	173	135.5 Å²	135.5	89%	0.887	78%	0.776	S	S	*	*			trans	-124.2	123.7	142.9	-65.9	-177.3	0	0	0	105.9
300	N	26.3	Very low	27.6	Very low	126 Å²	126	135.1 Å²	135.1	67%	0.674	79%	0.788	S	S	*	*			trans	-75.7	138.2	179.1	-76.5	-79.1	0	0	0	110.6
301	D	27.9	Very low	27.2	Very low	161 Å²	161	130.3 Å²	130.3	86%	0.861	78%	0.78	S	S	*	*			trans	-144.2	104.2	160	-159.7	11.4	0	0	0	110.4
302	P	28.6	Very low	27.3	Very low	97 Å²	97	131 Å²	131	63%	0.63	78%	0.782	S	S	*	*			trans	-88	152.5	-174.1	34	-34.2	0	0	0	113.3
303	T	25.5	Very low	26.9	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	78%	0.777	S	S	*	*			trans	59.9	75.6	160.5	55	0	0	0	0	118.1
304	S	27.2	Very low	26.7	Very low	120 Å²	120	132.8 Å²	132.8	84%	0.839	79%	0.786	S	S	*	*			trans	-89.3	94.3	144.6	54.1	0	0	0	0	110	V306	S304-V306 PolarHBondContact O-N 3.12Å
305	Q	26.3	Very low	26.2	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	79%	0.785	S	S	*	*			trans	-67.7	129.6	171.6	-71.7	-170.4	-2.7	0	0	110.1	A307	Q305-A307 VanDerWaalsContact C-N 3.26Å; Q305-A307 PolarHBondContact O-N 3.47Å
306	V	23.5	Very low	26.2	Very low	123 Å²	123	132.9 Å²	132.9	75%	0.745	79%	0.787	S	S	*	*			trans	-75.8	78.1	179.2	-174.6	0	0	0	0	110.4	S304 N308	S304-V306 PolarHBondContact O-N 3.12Å; V306-N308 VanDerWaalsContact C-N 3.32Å; V306-N308 PolarHBondContact O-N 3.45Å
307	A	24.8	Very low	25.9	Very low	84 Å²	84	132.1 Å²	132.1	69%	0.694	79%	0.792	S	S	*	*			trans	-68.4	86.2	172.4	0	0	0	0	0	110.3	Q305 S309	Q305-A307 VanDerWaalsContact C-N 3.26Å; Q305-A307 PolarHBondContact O-N 3.47Å; A307-S309 VanDerWaalsContact C-N 3.28Å; A307-S309 PolarHBondContact O-N 3.1Å
308	N	24.3	Very low	25.7	Very low	158 Å²	158	132 Å²	132	85%	0.845	79%	0.786	S	S	*	*			trans	-71.3	74.2	-177.4	-107.1	-50.4	0	0	0	112.4	V306	V306-N308 VanDerWaalsContact C-N 3.32Å; V306-N308 PolarHBondContact O-N 3.45Å
309	S	22.3	Very low	25.8	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	78%	0.779	S	S	*	*			trans	-133.7	113.5	175	60.6	0	0	0	0	113.2	A307 G311	A307-S309 VanDerWaalsContact C-N 3.28Å; A307-S309 PolarHBondContact O-N 3.1Å; S309-G311 PolarHBondContact O-N 2.92Å
310	G	22.9	Very low	25.5	Very low	96 Å²	96	128.6 Å²	128.6	99%	0.99	78%	0.78	S	S	*	*	S	Bend	trans	69	30.5	143.5	0	0	0	0	0	120.9
311	G	25	Very low	25.6	Very low	66 Å²	66	131.8 Å²	131.8	68%	0.68	79%	0.788	S	S	*	*			trans	-160.1	133.5	171.5	0	0	0	0	0	114.5	S309	S309-G311 PolarHBondContact O-N 2.92Å
312	I	27.2	Very low	25.4	Very low	159 Å²	159	130.4 Å²	130.4	82%	0.815	78%	0.779	S	S	*	*			trans	-95.5	123	163.8	-61.8	175.8	0	0	0	106.6	L314	I312-L314 PolarHBondContact O-N 3.34Å
313	N	24.2	Very low	25.4	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	79%	0.787	S	S	*	*			trans	-57.2	106.8	-178.5	-69.4	-10.2	0	0	0	111.3
314	L	25.2	Very low	25.4	Very low	166 Å²	166	134.6 Å²	134.6	87%	0.869	79%	0.786	S	S	*	*			trans	-80.1	114.3	156.9	-79.1	166	0	0	0	106.7	I312 S316	I312-L314 PolarHBondContact O-N 3.34Å; L314-S316 PolarHBondContact O-N 3.46Å
315	I	24.5	Very low	25.5	Very low	168 Å²	168	135.3 Å²	135.3	86%	0.862	78%	0.781	S	S	*	*			trans	-55.5	115.1	171.4	-62.1	169.1	0	0	0	107.2
316	S	25.3	Very low	25.5	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.9	137.7	172.3	39.2	0	0	0	0	109	L314 Q318	L314-S316 PolarHBondContact O-N 3.46Å; S316-Q318 PolarHBondContact O-N 3Å
317	A	26.9	Very low	25.8	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.3	122.2	167.9	0	0	0	0	0	108.1
318	Q	25.2	Very low	25.9	Very low	155 Å²	155	139 Å²	139	72%	0.724	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.5	131.6	167.5	-81	172.5	-66.7	0	0	108.6	S316 L320	S316-Q318 PolarHBondContact O-N 3Å; Q318-L320 PolarHBondContact O-N 3Å
319	P	28.3	Very low	26.1	Very low	95 Å²	95	134.6 Å²	134.6	62%	0.617	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.2	166.9	28.1	-32.3	0	0	0	108.5	F321	P319-F321 PolarHBondContact O-N 3.48Å
320	L	25.2	Very low	26.4	Very low	173 Å²	173	135.5 Å²	135.5	91%	0.906	79%	0.79	S	S	*	*	S	Bend	trans	-77.5	53.7	172.9	-94.2	160.3	0	0	0	111.1	Q318	Q318-L320 PolarHBondContact O-N 3Å
321	F	26.6	Very low	26.8	Very low	193 Å²	193	137 Å²	137	85%	0.846	78%	0.782	S	S	*	*			trans	-141.6	71.1	167.6	-70.1	-67.1	0	0	0	106.7	P319 D323	P319-F321 PolarHBondContact O-N 3.48Å; F321-D323 PolarHBondContact O-N 3.44Å
322	I	25.5	Very low	26.9	Very low	132 Å²	132	141.2 Å²	141.2	68%	0.677	79%	0.788	S	S	*	*			trans	-93	85.8	166.6	-58	175	0	0	0	105.8
323	D	27	Very low	27	Very low	148 Å²	148	142.9 Å²	142.9	79%	0.791	79%	0.793	S	S	*	*			trans	-159.3	154.3	142	-126.5	-37.1	0	0	0	113.3	F321	F321-D323 PolarHBondContact O-N 3.44Å
324	Q	26.2	Very low	27.1	Very low	161 Å²	161	143.4 Å²	143.4	75%	0.752	80%	0.795	S	S	*	*	S	Bend	trans	58.9	98.9	171.9	-59.1	-165.8	-0.7	0	0	119.6
325	N	30.4	Very low	27.3	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	79%	0.793	S	S	*	*			trans	91.9	83.7	131.9	-58	-8.5	0	0	0	119.5	V327	N325-V327 PolarHBondContact O-N 3.24Å
326	N	24.5	Very low	27.6	Very low	163 Å²	163	137 Å²	137	87%	0.872	79%	0.787	S	S	*	*			trans	-58.1	118.8	137.2	-76.3	-28.7	0	0	0	110.2
327	V	30.4	Very low	27.7	Very low	132 Å²	132	141.4 Å²	141.4	80%	0.8	80%	0.799	S	S	*	*			trans	-137.4	132.9	149.3	-177.7	0	0	0	0	107.5	N325	N325-V327 PolarHBondContact O-N 3.24Å
328	L	27.3	Very low	27.6	Very low	165 Å²	165	145.2 Å²	145.2	86%	0.864	80%	0.803	S	S	*	*			trans	-84.3	146.8	178.9	-77.1	68.5	0	0	0	110.5
329	G	28	Very low	27.7	Very low	66 Å²	66	143.8 Å²	143.8	68%	0.68	81%	0.807	S	S	*	*			trans	165.8	121.4	164.9	0	0	0	0	0	114.1
330	P	29.4	Very low	27.6	Very low	122 Å²	122	146 Å²	146	79%	0.792	81%	0.813	S	S	*	*			trans	-72.4	144.3	163.4	31.6	-32.6	0	0	0	109.9	N332	P330-N332 PolarHBondContact O-N 3.01Å; P330-N332 VanDerWaalsContact O-N 3.09Å
331	P	31	Very low	27.7	Very low	127 Å²	127	146.3 Å²	146.3	83%	0.825	82%	0.815	S	S	*	*	S	Bend	trans	-77	101.6	-172.5	30.1	-34.7	0	0	0	111.7
332	N	27	Very low	27.7	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	81%	0.812	S	S	*	*			trans	-160.1	68	165.4	-114.8	-9.7	0	0	0	112.5	P330	P330-N332 PolarHBondContact O-N 3.01Å; P330-N332 VanDerWaalsContact O-N 3.09Å
333	Q	28.9	Very low	27.8	Very low	194 Å²	194	139.5 Å²	139.5	91%	0.907	81%	0.814	S	S	*	*			trans	-179.9	122.7	150.3	-100.2	153.3	44.6	0	0	111.3
334	L	26.5	Very low	27.9	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	82%	0.818	S	S	*	*			trans	-105	166.8	150.2	-99.6	80.9	0	0	0	106.9
335	P	29.4	Very low	28	Very low	126 Å²	126	141.6 Å²	141.6	82%	0.818	83%	0.826	S	S	*	*			cis	-126.2	162.4	12.1	39.6	-25	0	0	0	115.8
336	G	30.2	Very low	28.1	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	82%	0.824	S	S	*	*			trans	-167.1	126.6	170.2	0	0	0	0	0	110.6
337	M	27.3	Very low	28.3	Very low	193 Å²	193	139 Å²	139	95%	0.951	82%	0.818	S	S	*	*			trans	-62.9	139.9	-165.5	-63	156.7	77.9	0	0	114.2
338	M	24.5	Very low	28.1	Very low	176 Å²	176	142.8 Å²	142.8	87%	0.867	82%	0.819	S	S	*	*			trans	-77.1	169.2	167.2	-70.9	-175.5	146.2	0	0	111.8
339	P	29.2	Very low	28.1	Very low	125 Å²	125	139 Å²	139	81%	0.812	82%	0.82	S	S	*	*				-138.4	151.6	99.7	37.9	-27.2	0	0	0	116.2
340	N	24.7	Very low	28.3	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	83%	0.829	S	S	*	*			trans	4	126.3	162.2	-72.3	-28	0	0	0	120.9
341	L	28.8	Very low	28.2	Very low	181 Å²	181	148.2 Å²	148.2	95%	0.948	84%	0.837	S	S	*	*			trans	-142.7	85.2	133.5	-153.6	78.8	0	0	0	111.3
342	S	25	Very low	28.3	Very low	113 Å²	113	149.5 Å²	149.5	79%	0.79	84%	0.836	S	S	*	*			trans	-91	103.3	178.6	36	0	0	0	0	111.2
343	G	28	Very low	28.6	Very low	69 Å²	69	148 Å²	148	71%	0.711	83%	0.834	S	S	*	*			trans	-140.5	70.8	-176.4	0	0	0	0	0	113.4	M345	G343-M345 PolarHBondContact O-N 3.26Å; G343-M345 VanDerWaalsContact O-N 3.16Å
344	L	29.7	Very low	28.5	Very low	166 Å²	166	147.5 Å²	147.5	87%	0.869	83%	0.832	S	S	*	*			trans	-81.6	91.5	-177.6	-147.2	94.8	0	0	0	111.5	N346	L344-N346 PolarHBondContact O-N 3.25Å
345	M	27.5	Very low	28.7	Very low	187 Å²	187	147.2 Å²	147.2	92%	0.921	83%	0.831	S	S	*	*			trans	-68.5	114	169.3	-78.5	-175.4	73.9	0	0	110.6	G343	G343-M345 PolarHBondContact O-N 3.26Å; G343-M345 VanDerWaalsContact O-N 3.16Å
346	N	32.3	Very low	28.7	Very low	129 Å²	129	150.3 Å²	150.3	69%	0.69	84%	0.837	S	S	*	*			trans	-117.3	118	176.2	-163.6	15.1	0	0	0	109.5	L344 Y348	L344-N346 PolarHBondContact O-N 3.25Å; N346-Y348 VanDerWaalsContact C-N 3.25Å; N346-Y348 PolarHBondContact O-N 2.97Å
347	P	30.3	Very low	28.4	Very low	115 Å²	115	155.4 Å²	155.4	75%	0.747	84%	0.844	S	S	*	*	S	Bend	trans	-84.9	37.7	-162.3	35.2	-38.6	0	0	0	115.2
348	Y	26.3	Very low	28.6	Very low	211 Å²	211	152.9 Å²	152.9	83%	0.827	84%	0.839	S	S	*	*	S	Bend	trans	-139.2	112.8	166.7	-81.6	-78	0	0	0	109.7	N346 Q350	N346-Y348 VanDerWaalsContact C-N 3.25Å; N346-Y348 PolarHBondContact O-N 2.97Å; Y348-Q350 PolarHBondContact O-N 2.92Å
349	G	26.7	Very low	28.7	Very low	85 Å²	85	150 Å²	150	88%	0.876	83%	0.831	S	S	*	*			trans	-81	109.2	-170.9	0	0	0	0	0	113.8
350	Q	31.5	Very low	29	Very low	186 Å²	186	149 Å²	149	87%	0.869	83%	0.825	S	S	*	*			trans	-133.9	130.1	150.4	-77.3	-173.1	-14.7	0	0	108.5	Y348	Y348-Q350 PolarHBondContact O-N 2.92Å
351	M	27.6	Very low	29.3	Very low	196 Å²	196	148.7 Å²	148.7	97%	0.966	82%	0.823	S	S	*	*			trans	-81.1	137.2	176.8	-64	179.3	179.9	0	0	109.9
352	I	32.5	Very low	29.1	Very low	155 Å²	155	146.4 Å²	146.4	80%	0.795	81%	0.812	S	S	*	*			trans	-119.4	126.3	165.3	-59.3	179.2	0	0	0	106.6
353	P	33.6	Very low	29.4	Very low	122 Å²	122	151.8 Å²	151.8	79%	0.792	82%	0.817	S	S	*	*			trans	-62.3	142.3	-178.7	-23.8	34.5	0	0	0	112.8
354	Q	27.3	Very low	29.4	Very low	183 Å²	183	156.1 Å²	156.1	86%	0.855	82%	0.823	S	S	*	*			trans	-71.9	132.5	170.5	-65.7	173.3	-27.7	0	0	110.4
355	N	30.5	Very low	29.5	Very low	161 Å²	161	157 Å²	157	86%	0.861	83%	0.825	S	S	*	*			trans	-167.6	158.5	137.6	-106.7	-37	0	0	0	112.5
356	M	28.6	Very low	29.4	Very low	191 Å²	191	157.2 Å²	157.2	94%	0.941	82%	0.822	S	S	*	*			trans	64.3	98.8	177.9	-58.2	-167.8	180	0	0	116.6
357	M	24.6	Very low	29.2	Very low	179 Å²	179	157.3 Å²	157.3	88%	0.882	82%	0.822	S	S	*	*			trans	-128.9	102.6	164.5	172.8	-177.1	168	0	0	108.3
358	V	31.5	Very low	29.2	Very low	141 Å²	141	159.8 Å²	159.8	86%	0.855	83%	0.829	S	S	*	*			trans	-143.9	145.9	169.5	-172.6	0	0	0	0	109.1
359	T	27.5	Very low	29.3	Very low	115 Å²	115	153.2 Å²	153.2	71%	0.706	83%	0.825	S	S	*	*			trans	-143.1	167.4	-172.7	48.7	0	0	0	0	109.2
360	P	35.7	Very low	29.9	Very low	105 Å²	105	155.1 Å²	155.1	68%	0.682	82%	0.822	S	S	*	*			cis	-134.5	-155.5	-20.2	31	-7	0	0	0	112.4
361	D	30.8	Very low	29.8	Very low	133 Å²	133	153.5 Å²	153.5	71%	0.711	83%	0.825	S	S	*	*			trans	100.5	119	150.5	-66	-15.7	0	0	0	121.9
362	N	24.8	Very low	30.1	Very low	133 Å²	133	147.2 Å²	147.2	71%	0.711	81%	0.81	S	S	*	*			trans	38.9	119	144.9	-59.4	-43.5	0	0	0	120.8
363	Y	30.2	Very low	29.9	Very low	225 Å²	225	148.1 Å²	148.1	88%	0.882	81%	0.811	S	S	*	*				-171	147.7	93.2	-99.9	-73.4	0	0	0	111.1
364	N	28.5	Very low	29.7	Very low	160 Å²	160	149.3 Å²	149.3	86%	0.856	81%	0.806	S	S	*	*			trans	-102.1	128.4	172.1	-98.1	-24.2	0	0	0	110.3
365	M	30.6	Very low	29.8	Very low	184 Å²	184	147.8 Å²	147.8	91%	0.906	80%	0.803	S	S	*	*			trans	-151.9	159.1	158.4	-135.1	170.3	-73.8	0	0	111.6
366	F	25.5	Very low	29.9	Very low	193 Å²	193	143 Å²	143	85%	0.846	79%	0.792	S	S	*	*			trans	-92.1	167.5	-163.6	-97.8	-109.2	0	0	0	115
367	N	27.9	Very low	30	Very low	131 Å²	131	142.9 Å²	142.9	70%	0.701	79%	0.789	S	S	*	*			trans	67.3	111.6	158.3	-66.6	-6	0	0	0	119.5
368	N	30.6	Very low	30.3	Very low	167 Å²	167	143.1 Å²	143.1	89%	0.893	79%	0.788	S	S	*	*				-169.8	175	93.6	-95.6	-33.3	0	0	0	113.4
369	G	28.1	Very low	30.1	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	79%	0.786	S	S	*	*			trans	-92.5	-162.4	-164.1	0	0	0	0	0	118.6
370	P	40.8	Very low	30.2	Very low	125 Å²	125	143 Å²	143	81%	0.812	79%	0.792	S	S	*	*			trans	-114.4	174.2	-150.9	42.5	-36.7	0	0	0	116.4
371	V	28.6	Very low	29.8	Very low	153 Å²	153	143.1 Å²	143.1	93%	0.927	79%	0.793	S	S	*	*			trans	172.5	152.6	140.6	145.2	0	0	0	0	112.7
372	G	33.1	Very low	29.6	Very low	63 Å²	63	147.8 Å²	147.8	65%	0.649	80%	0.802	S	S	*	*			trans	109	125.5	171.3	0	0	0	0	0	113.8
373	Q	29	Very low	29.7	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	80%	0.804	S	S	*	*			cis	56.1	133.1	35.4	-62.7	-164.4	12.4	0	0	113.1
374	Q	30.3	Very low	29.4	Very low	146 Å²	146	144.7 Å²	144.7	68%	0.682	81%	0.81	S	S	*	*			cis	-162.4	179.1	10.9	-123.8	-176.9	89.2	0	0	108.1
375	L	29.4	Very low	29.3	Very low	152 Å²	152	144 Å²	144	80%	0.796	81%	0.806	S	S	*	*			cis	-167.8	152	0.1	174.3	65.4	0	0	0	109.7
376	G	31.3	Very low	29.1	Very low	61 Å²	61	143.1 Å²	143.1	63%	0.629	80%	0.801	S	S	*	*			trans	117.8	124	138.5	0	0	0	0	0	122.9
377	Q	30.7	Very low	28.9	Very low	188 Å²	188	137.5 Å²	137.5	88%	0.879	80%	0.798	S	S	*	*			trans	64.1	154.3	155.2	-50.7	-171.7	18.2	0	0	118.2
378	Q	31.1	Very low	28.8	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	81%	0.806	S	S	*	*			cis	-141.2	161.8	7.6	-154.3	176.9	35.9	0	0	110.2
379	A	27.3	Very low	28.5	Very low	99 Å²	99	137.3 Å²	137.3	82%	0.818	80%	0.799	S	S	*	*			trans	-109.9	148.9	-174	0	0	0	0	0	113.9
380	N	30.7	Very low	28.3	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	80%	0.801	S	S	*	*			trans	-150.5	128.3	173.3	-143.2	-11.1	0	0	0	111	Y382	N380-Y382 PolarHBondContact O-N 3.17Å
381	P	27.6	Very low	27.5	Very low	108 Å²	108	139.5 Å²	139.5	70%	0.701	80%	0.803	S	S	*	*			trans	-103.8	48.6	-153.7	41	-38.9	0	0	0	116.7
382	Y	24.7	Very low	27.4	Very low	230 Å²	230	140.9 Å²	140.9	90%	0.902	79%	0.793	S	S	*	*			trans	-138.6	74.5	173.5	-82	-74	0	0	0	113.8	N380	N380-Y382 PolarHBondContact O-N 3.17Å
383	A	28	Very low	26.9	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	80%	0.803	S	S	*	*			trans	-151.5	87.6	170.6	0	0	0	0	0	112.4	N385	A383-N385 PolarHBondContact O-N 3Å
384	M	23.7	Very low	26.8	Very low	201 Å²	201	140.6 Å²	140.6	99%	0.99	80%	0.799	S	S	*	*			trans	-75.4	76.1	165.3	-77.8	-155.9	-68	0	0	110.5
385	N	27	Very low	26.5	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	81%	0.809	S	S	*	*			trans	-90.2	115.2	171.4	-167.8	6.1	0	0	0	109.7	A383 G387	A383-N385 PolarHBondContact O-N 3Å; N385-G387 PolarHBondContact O-N 3.28Å
386	M	25.2	Very low	26.5	Very low	164 Å²	164	141.1 Å²	141.1	81%	0.808	81%	0.809	S	S	*	*			trans	-73.6	90.9	179.2	-80.1	-164.8	172.7	0	0	111.3	Y388	M386-Y388 PolarHBondContact O-N 3.33Å
387	G	22.1	Very low	26.3	Very low	76 Å²	76	143.8 Å²	143.8	78%	0.784	81%	0.809	S	S	*	*			trans	-69.2	89.3	174.3	0	0	0	0	0	113.1	N385 G389	N385-G387 PolarHBondContact O-N 3.28Å; G387-G389 PolarHBondContact O-N 2.88Å
388	Y	25.3	Very low	26.3	Very low	222 Å²	222	142.3 Å²	142.3	87%	0.871	80%	0.804	S	S	*	*			trans	-76.2	102	159.5	-87.6	-85.7	0	0	0	109.5	M386	M386-Y388 PolarHBondContact O-N 3.33Å
389	G	23.7	Very low	26.2	Very low	71 Å²	71	139.6 Å²	139.6	73%	0.732	80%	0.796	S	S	*	*			trans	-80.7	144.6	179.4	0	0	0	0	0	113.6	G387	G387-G389 PolarHBondContact O-N 2.88Å
390	M	25.4	Very low	26.5	Very low	159 Å²	159	141 Å²	141	78%	0.783	79%	0.789	S	S	*	*			trans	-169.6	91.1	144.2	-103.2	-57.1	-179.2	0	0	108.8	Y392	M390-Y392 PolarHBondContact O-N 3.38Å; M390-Y392 HydrophobicContact SD-CD2 4.09Å; M390-Y392 HydrophobicContact SD-CE2 3.64Å
391	G	23.4	Very low	26.6	Very low	84 Å²	84	142 Å²	142	87%	0.866	78%	0.783	S	S	*	*			trans	-83.1	94.9	179.8	0	0	0	0	0	112.2
392	Y	26.8	Very low	26.8	Very low	183 Å²	183	142.5 Å²	142.5	72%	0.718	78%	0.778	S	S	*	*			trans	-112.3	86.1	170.2	-85.6	-78.5	0	0	0	111.3	M390 M394	M390-Y392 PolarHBondContact O-N 3.38Å; M390-Y392 HydrophobicContact SD-CD2 4.09Å; M390-Y392 HydrophobicContact SD-CE2 3.64Å; Y392-M394 PolarHBondContact O-N 2.99Å
393	G	22.6	Very low	27.1	Very low	83 Å²	83	137.7 Å²	137.7	86%	0.856	77%	0.768	S	S	*	*			trans	-81.3	99.1	167.1	0	0	0	0	0	110.9
394	M	26	Very low	27.4	Very low	149 Å²	149	140.1 Å²	140.1	73%	0.734	76%	0.764	S	S	*	*			trans	-105.5	112.5	165.4	-77.3	-167.8	178.6	0	0	110.6	Y392 M396	Y392-M394 PolarHBondContact O-N 2.99Å; M394-M396 PolarHBondContact O-N 3.39Å; M394-M396 VanDerWaalsContact O-N 3.1Å
395	T	24	Very low	28	Very low	145 Å²	145	134.7 Å²	134.7	89%	0.89	74%	0.742	S	S	*	*			trans	-78.8	80.8	174.1	38.6	0	0	0	0	110.9	N397	T395-N397 PolarHBondContact O-N 3.33Å
396	M	29.2	Very low	28.2	Very low	163 Å²	163	133.5 Å²	133.5	80%	0.803	74%	0.735	S	S	*	*			trans	-75.4	111.4	178.8	-70	-64.2	-81.8	0	0	111.8	M394 M398	M394-M396 PolarHBondContact O-N 3.39Å; M394-M396 VanDerWaalsContact O-N 3.1Å; M396-M398 PolarHBondContact O-N 2.86Å
397	N	28.1	Very low	28.5	Very low	118 Å²	118	129.6 Å²	129.6	63%	0.631	73%	0.729	S	S	*	*			trans	-63.2	120.3	175.3	179.8	-11	0	0	0	111.1	T395 N399	T395-N397 PolarHBondContact O-N 3.33Å; N397-N399 VanDerWaalsContact C-N 3.32Å; N397-N399 PolarHBondContact O-N 3.04Å; N397-N399 PolarHBondContact OD1-N 3.38Å; N397-N399 VanDerWaalsContact OD1-N 3.12Å
398	M	30.4	Very low	28.9	Very low	156 Å²	156	135.7 Å²	135.7	77%	0.768	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-70.1	-23	-172.1	-158.9	68.8	171.4	0	0	113.9	M396 N400 Y401	M396-M398 PolarHBondContact O-N 2.86Å; M398-N400 PolarHBondContact O-N 3.37Å; M398-Y401 PolarHBondContact O-N 2.95Å
399	N	30	Very low	29	Very low	126 Å²	126	132 Å²	132	67%	0.674	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-75.8	-17.5	-163.6	-72.8	-0.5	0	0	0	115.2	N397	N397-N399 VanDerWaalsContact C-N 3.32Å; N397-N399 PolarHBondContact O-N 3.04Å; N397-N399 PolarHBondContact OD1-N 3.38Å; N397-N399 VanDerWaalsContact OD1-N 3.12Å
400	N	33.1	Very low	29.1	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-83.8	-12.6	179.1	-85.1	-6.9	0	0	0	114.4	M398 I402	M398-N400 PolarHBondContact O-N 3.37Å; N400-I402 VanDerWaalsContact C-N 3.35Å; N400-I402 PolarHBondContact O-N 3.11Å
401	Y	31.7	Very low	29.3	Very low	176 Å²	176	134.3 Å²	134.3	69%	0.69	73%	0.727	S	S	*	*	H	α-helix	trans	-75.4	-22.1	-173.2	-135.6	-91.9	0	0	0	113.9	M398 V405	M398-Y401 PolarHBondContact O-N 2.95Å; Y401-V405 HydrophobicContact CD1-CG2 4.43Å; Y401-V405 WeakPolarHBondContact O-CG2 3.41Å
402	I	33	Very low	29.3	Very low	120 Å²	120	136.2 Å²	136.2	62%	0.615	72%	0.717	S	S	*	*	H	α-helix	trans	-73.9	-36.4	-175.9	-66.7	174.4	0	0	0	111.7	N400 Q404 V405	N400-I402 VanDerWaalsContact C-N 3.35Å; N400-I402 PolarHBondContact O-N 3.11Å; I402-Q404 PolarHBondContact O-N 3.21Å; I402-V405 PolarHBondContact O-N 2.86Å
403	N	31.6	Very low	29.2	Very low	129 Å²	129	136.8 Å²	136.8	69%	0.69	72%	0.723	S	S	*	*	H	α-helix	trans	-76.5	-18	-176	-74.5	-13.5	0	0	0	114.5
404	Q	34.2	Very low	29.3	Very low	143 Å²	143	141.4 Å²	141.4	67%	0.668	73%	0.725	S	S	*	*	H	α-helix	trans	-85.7	-23.8	173.2	-76.4	-171	-18.2	0	0	113.6	I402 A407	I402-Q404 PolarHBondContact O-N 3.21Å; Q404-A407 PolarHBondContact O-N 3.04Å
405	V	35.9	Very low	29.2	Very low	87 Å²	87	144.4 Å²	144.4	53%	0.527	73%	0.729	S	S	.	*	H	α-helix	trans	-72.5	-33.2	-178	173.8	0	0	0	0	111.9	Y401 I402 A407 Y408	Y401-V405 HydrophobicContact CD1-CG2 4.43Å; Y401-V405 WeakPolarHBondContact O-CG2 3.41Å; I402-V405 PolarHBondContact O-N 2.86Å; V405-A407 PolarHBondContact O-N 2.91Å; V405-Y408 PolarHBondContact O-N 3.17Å
406	N	31	Very low	29.5	Very low	122 Å²	122	143.6 Å²	143.6	65%	0.652	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-70	-13.2	177.5	-76	-17.2	0	0	0	114.2	Y408	N406-Y408 VanDerWaalsContact C-N 3.33Å
407	A	31.3	Very low	29.3	Very low	82 Å²	82	143.8 Å²	143.8	68%	0.678	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-78.5	-12	177.4	0	0	0	0	0	114.1	Q404 V405	Q404-A407 PolarHBondContact O-N 3.04Å; V405-A407 PolarHBondContact O-N 2.91Å
408	Y	30.3	Very low	29.1	Very low	204 Å²	204	145.7 Å²	145.7	80%	0.8	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-93	3.6	-174.4	-87.3	-87	0	0	0	115.3	V405 N406 Q410	V405-Y408 PolarHBondContact O-N 3.17Å; N406-Y408 VanDerWaalsContact C-N 3.33Å; Y408-Q410 PolarHBondContact O-N 3.25Å
409	N	26.6	Very low	29.1	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	74%	0.737	S	S	*	*			trans	-95.3	72.2	175.1	-84.3	-26.8	0	0	0	112.5
410	Q	27.3	Very low	28.8	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.692	75%	0.748	S	S	*	*			trans	-133.5	127.8	155.4	-78.4	-155.9	5	0	0	111.5	Y408 N412	Y408-Q410 PolarHBondContact O-N 3.25Å; Q410-N412 VanDerWaalsContact C-N 3.27Å; Q410-N412 PolarHBondContact O-N 2.6Å
411	P	28.1	Very low	28.7	Very low	132 Å²	132	142 Å²	142	86%	0.857	75%	0.752	S	S	*	*			trans	-83.3	62.5	-178.3	35.5	-36.5	0	0	0	112
412	N	24.9	Very low	28.6	Very low	124 Å²	124	138.3 Å²	138.3	66%	0.663	75%	0.752	S	S	*	*			trans	-126.5	44.1	-170.7	-100	-25.2	0	0	0	114.7	Q410	Q410-N412 VanDerWaalsContact C-N 3.27Å; Q410-N412 PolarHBondContact O-N 2.6Å
413	F	24.2	Very low	28.6	Very low	194 Å²	194	138.6 Å²	138.6	85%	0.851	76%	0.761	S	S	*	*			trans	-121.9	61.7	167.6	-87.3	-78.6	0	0	0	112.4
414	M	24.1	Very low	28.5	Very low	181 Å²	181	139.7 Å²	139.7	89%	0.892	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-75.8	121.1	157.3	-111.6	-178.2	63.7	0	0	108.9	P416	M414-P416 WeakPolarHBondContact O-CD 3.32Å
415	Y	24.8	Very low	28.4	Very low	211 Å²	211	140.1 Å²	140.1	83%	0.827	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-71	124.8	172.8	-77.9	-95.8	0	0	0	110.3	M417	Y415-M417 PolarHBondContact O-N 3.19Å
416	P	30.3	Very low	28.1	Very low	128 Å²	128	141.8 Å²	141.8	83%	0.831	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.3	119.3	172.7	28.4	-32.6	0	0	0	110.4	M414	M414-P416 WeakPolarHBondContact O-CD 3.32Å
417	M	24.8	Very low	28	Very low	168 Å²	168	145.7 Å²	145.7	83%	0.828	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.1	136.6	167.2	-107.7	-97.8	-171.5	0	0	109.3	Y415	Y415-M417 PolarHBondContact O-N 3.19Å
418	N	24.5	Very low	27.8	Very low	158 Å²	158	148.8 Å²	148.8	85%	0.845	80%	0.801	S	S	*	*			trans	64.2	116.8	175.4	-59.5	-23.9	0	0	0	117
419	G	28.6	Very low	27.7	Very low	72 Å²	72	144.5 Å²	144.5	74%	0.742	80%	0.797	S	S	*	*			trans	-167.4	96.3	166.6	0	0	0	0	0	109.3
420	A	24.9	Very low	27.9	Very low	109 Å²	109	144.2 Å²	144.2	90%	0.901	79%	0.794	S	S	*	*			trans	-88.1	113.9	176.6	0	0	0	0	0	109.2
421	I	31.2	Very low	27.7	Very low	151 Å²	151	143.9 Å²	143.9	77%	0.774	80%	0.797	S	S	*	*			trans	-130.6	122.6	177.2	-61.9	-179.5	0	0	0	107.5
422	S	28.4	Very low	27.8	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.5	154.9	170.9	-66.8	0	0	0	0	110.1	D424	S422-D424 PolarHBondContact O-N 2.91Å
423	P	34.6	Very low	27.9	Very low	125 Å²	125	143.5 Å²	143.5	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-65.4	120	172.8	27.8	-33.8	0	0	0	110.2
424	D	29.2	Very low	28.1	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.9	133	175.5	-79	-55.6	0	0	0	111.4	S422	S422-D424 PolarHBondContact O-N 2.91Å
425	I	31.2	Very low	28.3	Very low	151 Å²	151	139.6 Å²	139.6	77%	0.774	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-97.9	129.3	164.4	-64.4	174.8	0	0	0	105.9	K427	I425-K427 PolarHBondContact O-N 3.34Å
426	P	30.7	Very low	28.4	Very low	122 Å²	122	136 Å²	136	79%	0.792	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.7	136	-170.7	25.4	-34.7	0	0	0	111.6
427	K	28.4	Very low	28.4	Very low	205 Å²	205	138.1 Å²	138.1	89%	0.891	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-99.8	121	169.1	-79.2	-176	175.4	178.6	0	109.6	I425	I425-K427 PolarHBondContact O-N 3.34Å
428	D	27.2	Very low	28.6	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	78%	0.781	S	S	*	*			trans	-132.1	147.5	159.9	-106.9	-48.3	0	0	0	110.4
429	T	27.2	Very low	29.4	Very low	114 Å²	114	136.6 Å²	136.6	70%	0.699	77%	0.773	S	S	*	*			trans	52.4	120	156.9	43.8	0	0	0	0	123.8
430	I	30.8	Very low	29.9	Very low	138 Å²	138	138.2 Å²	138.2	71%	0.708	77%	0.771	S	S	*	*				88.8	99.1	130	-63	168.1	0	0	0	120.7
431	N	24.7	Very low	30.1	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	77%	0.765	S	S	*	*				63.3	156.4	125.1	-58.7	-2.8	0	0	0	125.7
432	N	30.2	Very low	30	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	76%	0.763	S	S	*	*			trans	87	84.6	152.6	-69.3	0.5	0	0	0	122.3
433	T	26.4	Very low	30	Very low	109 Å²	109	142.4 Å²	142.4	67%	0.669	77%	0.77	S	S	*	*				50.3	124.2	113.8	55.7	0	0	0	0	123.6
434	I	27.9	Very low	29.8	Very low	145 Å²	145	142.8 Å²	142.8	74%	0.744	77%	0.77	S	S	*	*			trans	72	111.1	130.8	-60.8	167.3	0	0	0	118.3
435	N	28.3	Very low	29.8	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	76%	0.762	S	S	*	*				172.2	177	91.4	-132.1	-16.7	0	0	0	112.3
436	N	26.5	Very low	29.7	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	77%	0.769	S	S	*	*			trans	-87.7	153.2	-178.1	-51.3	-69.1	0	0	0	113.9
437	D	30.2	Very low	29.6	Very low	172 Å²	172	146 Å²	146	92%	0.92	77%	0.774	S	S	*	*				-170.1	178	116.1	-102.1	-22.3	0	0	0	113
438	K	30.5	Very low	29.6	Very low	189 Å²	189	142.1 Å²	142.1	82%	0.822	77%	0.767	S	S	*	*			trans	-154.4	166	-163.5	-148.9	-165.2	178.4	-179	0	111.4
439	P	40.5	Very low	29.8	Very low	106 Å²	106	139.6 Å²	139.6	69%	0.688	76%	0.76	S	S	*	*				-109.2	-137.7	-80.6	43.8	-27.9	0	0	0	108.6
440	P	38.4	Very low	30	Very low	106 Å²	106	141 Å²	141	69%	0.688	77%	0.769	S	S	*	*			cis	-121	-176.8	-38.1	40	-26.2	0	0	0	112.1
441	I	30.5	Very low	30.1	Very low	154 Å²	154	141 Å²	141	79%	0.79	77%	0.769	S	S	*	*			trans	-172.6	138.7	138.5	-101.7	154.2	0	0	0	112.2
442	N	27.8	Very low	30.5	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	77%	0.774	S	S	*	*			trans	26.3	99.5	162.1	-59.2	-11.9	0	0	0	121.2
443	D	29.2	Very low	30.6	Very low	157 Å²	157	143.3 Å²	143.3	84%	0.84	78%	0.777	S	S	*	*			trans	-106.9	77.2	154.2	-115.5	-41.2	0	0	0	111
444	T	29.8	Very low	30.9	Very low	133 Å²	133	149.5 Å²	149.5	82%	0.816	79%	0.788	S	S	*	*			trans	-99.7	57.3	174.6	52.3	0	0	0	0	111.7
445	S	30.2	Very low	31.3	Very low	93 Å²	93	147.5 Å²	147.5	65%	0.65	79%	0.787	S	S	*	*			trans	-129.7	-2.2	-176.7	-151	0	0	0	0	116.1	K447	S445-K447 PolarHBondContact O-N 3.36Å
446	E	28.3	Very low	31.9	Very low	197 Å²	197	149.6 Å²	149.6	92%	0.921	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	53.4	175.9	-71.6	-154.1	121.7	0	0	114.3
447	K	29.5	Very low	33.1	Very low	205 Å²	205	148.7 Å²	148.7	89%	0.891	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	19.4	174	-82.7	-168.9	177.5	172.2	0	115.7	S445	S445-K447 PolarHBondContact O-N 3.36Å
448	V	28.6	Very low	34.1	Very low	122 Å²	122	148.8 Å²	148.8	74%	0.739	78%	0.778	S	S	*	*	S	Bend	trans	-126.7	146.1	171.4	-173	0	0	0	0	110.8	T450	V448-T450 PolarHBondContact O-N 3.13Å
449	S	30.4	Very low	35.6	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	75%	0.749	S	S	*	*			trans	61.1	33.4	166.5	62.2	0	0	0	0	119.8	I451	S449-I451 PolarHBondContact O-N 2.93Å
450	T	31.1	Very low	36.5	Very low	143 Å²	143	139.3 Å²	139.3	88%	0.877	74%	0.735	S	S	*	*			trans	-69.9	62	145.1	39.6	0	0	0	0	110.3	V448 K452	V448-T450 PolarHBondContact O-N 3.13Å; T450-K452 PolarHBondContact O-N 3.33Å
451	I	33.9	Very low	37.6	Very low	140 Å²	140	140.3 Å²	140.3	72%	0.718	73%	0.734	S	S	*	*			trans	-58.5	114	171.2	-65.1	176.4	0	0	0	106.2	S449 T453	S449-I451 PolarHBondContact O-N 2.93Å; I451-T453 VanDerWaalsContact C-N 3.31Å; I451-T453 PolarHBondContact O-N 3.1Å
452	K	32.4	Very low	39.2	Very low	194 Å²	194	134.2 Å²	134.2	84%	0.843	70%	0.704	S	S	*	*			trans	-60.5	96.2	175.7	-76.6	174.4	177.3	166.3	0	108.9	T450 R454	T450-K452 PolarHBondContact O-N 3.33Å; K452-R454 VanDerWaalsContact C-N 3.28Å; K452-R454 PolarHBondContact O-N 2.83Å
453	T	31.5	Very low	41.2	Very low	132 Å²	132	131.2 Å²	131.2	81%	0.81	69%	0.691	S	S	*	*			trans	-53.7	97.3	159.9	30.9	0	0	0	0	106.9	I451 S455	I451-T453 VanDerWaalsContact C-N 3.31Å; I451-T453 PolarHBondContact O-N 3.1Å; T453-S455 PolarHBondContact O-N 3.46Å
454	R	33.4	Very low	42.9	Very low	239 Å²	239	133 Å²	133	90%	0.902	69%	0.691	S	S	*	*			trans	-52.9	113	169.7	-82.6	-177.9	171.3	174.4	-1.6	105.8	K452 K456	K452-R454 VanDerWaalsContact C-N 3.28Å; K452-R454 PolarHBondContact O-N 2.83Å; R454-K456 PolarHBondContact O-N 3.4Å
455	S	35.9	Very low	44.8	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	69%	0.69	S	S	*	*			trans	-52	118.1	174.2	40.4	0	0	0	0	107.4	T453 I457	T453-S455 PolarHBondContact O-N 3.46Å; S455-I457 PolarHBondContact O-N 3.1Å
456	K	42.1	Very low	46.7	Very low	192 Å²	192	132 Å²	132	84%	0.835	67%	0.667	S	S	*	*			trans	-56	118.1	170.7	-83.8	-180	176.1	172.3	0	105.4	R454 E458	R454-K456 PolarHBondContact O-N 3.4Å; K456-E458 PolarHBondContact O-N 3.09Å
457	I	51.6	Low	48.5	Very low	116 Å²	116	124.9 Å²	124.9	60%	0.595	64%	0.635	S	S	*	*			trans	-70.7	92.8	176.8	-60.4	176	0	0	0	105.5	F212 L216 S455 V459	F212-I457 HydrophobicContact CE1-CG2 3.89Å; L216-I457 HydrophobicContact CD1-CD1 4.45Å; L216-I457 HydrophobicContact CD1-CG2 3.9Å; S455-I457 PolarHBondContact O-N 3.1Å; I457-V459 PolarHBondContact O-N 3.22Å
458	E	51.4	Low	50.1	Low	175 Å²	175	121 Å²	121	82%	0.818	62%	0.616	S	S	*	*			trans	-64.9	101.9	173.8	-64.2	-161.6	137	0	0	107.8	K456 P460	K456-E458 PolarHBondContact O-N 3.09Å; E458-P460 WeakPolarHBondContact O-CD 3.34Å
459	V	60.3	Low	52	Low	33 Å²	33	120.9 Å²	120.9	20%	0.2	61%	0.606	C	S	.	*			trans	-71.9	115.2	177.2	177.9	0	0	0	0	106.8	H209 F212 I457	H209-V459 VanDerWaalsContact CE1-CG2 3.49Å; H209-V459 WeakPolarHBondContact CE1-CG2 3.47Å; F212-V459 HydrophobicContact CB-CG1 4.18Å; F212-V459 HydrophobicContact CD1-CB 4.25Å; F212-V459 HydrophobicContact CD1-CG1 3.87Å; F212-V459 HydrophobicContact CD1-CG2 3.79Å; F212-V459 HydrophobicContact CE1-CB 4.46Å; F212-V459 HydrophobicContact CE1-CG1 4.44Å; F212-V459 HydrophobicContact CE1-CG2 4.05Å; F212-V459 HydrophobicContact CG-CG1 4.01Å; I457-V459 PolarHBondContact O-N 3.22Å
460	P	60.4	Low	53.9	Low	63 Å²	63	117.1 Å²	117.1	41%	0.409	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-64.4	155.9	-177.1	28.3	-35.3	0	0	0	110	W208 F212 E458	W208-P460 PolarHBondContact NE1-O 3.19Å; F212-P460 HydrophobicContact CD2-CG 4.28Å; F212-P460 VanDerWaalsContact CE2-CD 3.5Å; F212-P460 HydrophobicContact CE2-CG 3.72Å; F212-P460 VanDerWaalsContact CZ-CD 3.45Å; F212-P460 HydrophobicContact CZ-CG 4.13Å; E458-P460 WeakPolarHBondContact O-CD 3.34Å
461	L	61.3	Low	55.5	Low	126 Å²	126	114.4 Å²	114.4	66%	0.66	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-60	147.2	-179.5	-78.8	76.7	0	0	0	111.9	T463	L461-T463 PolarHBondContact O-N 3.23Å
462	P	63.2	Low	57.1	Low	26 Å²	26	112.6 Å²	112.6	17%	0.169	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-59.5	131.3	-178.8	23	-33.9	0	0	0	112.3	W208 F466 L467	W208-P462 HydrophobicContact CB-CB 4.16Å; W208-P462 HydrophobicContact CD2-CB 3.89Å; W208-P462 HydrophobicContact CE3-CB 4.34Å; W208-P462 HydrophobicContact CG-CB 3.79Å; P462-F466 HydrophobicContact CB-CD1 4.35Å; P462-L467 HydrophobicContact CB-CD1 4.27Å; P462-L467 HydrophobicContact CB-CG 4.37Å; P462-L467 HydrophobicContact CG-CD1 4.06Å; P462-L467 HydrophobicContact CG-CG 4.46Å
463	T	70	Confident	59	Low	72 Å²	72	107.3 Å²	107.3	44%	0.442	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-67.1	146.6	-177.7	61.1	0	0	0	0	111.7	W208 L461 Q465 F466 L467	W208-T463 HydrophobicContact CH2-CG2 3.85Å; W208-T463 HydrophobicContact CZ2-CG2 4.43Å; L461-T463 PolarHBondContact O-N 3.23Å; T463-Q465 PolarHBondContact O-N 3.23Å; T463-Q465 VanDerWaalsContact O-N 3.13Å; T463-F466 PolarHBondContact O-N 3.36Å; T463-F466 WeakPolarHBondContact OG1-CB 3.21Å; T463-L467 PolarHBondContact O-N 2.99Å
464	K	66.4	Low	61	Low	194 Å²	194	102.1 Å²	102.1	84%	0.843	49%	0.488	S	S	*	.	H	α-helix	trans	-53.5	-36.8	-178.8	-69.5	-176.3	178.3	178.6	0	112.9	Y468	K464-Y468 PolarHBondContact O-N 3.48Å
465	Q	68.1	Low	62.5	Low	168 Å²	168	91 Å²	91	79%	0.785	45%	0.446	S	S	*	.	H	α-helix	trans	-66.8	-45.2	175.5	-73.2	179.5	-18.1	0	0	112.8	T463 Y468 H469	T463-Q465 PolarHBondContact O-N 3.23Å; T463-Q465 VanDerWaalsContact O-N 3.13Å; Q465-Y468 PolarHBondContact O-N 3.34Å; Q465-H469 PolarHBondContact O-N 3.03Å
466	F	70.8	Confident	63.9	Low	39 Å²	39	87.3 Å²	87.3	17%	0.171	42%	0.424	C	S	.	.	H	α-helix	trans	-62.4	-45.3	176.3	-178.8	-91.7	0	0	0	111.1	I204 I207 W208 C211 P462 T463 Y468 H469 C470	I204-F466 HydrophobicContact CG2-CD1 4.46Å; I204-F466 HydrophobicContact CG2-CE1 4.28Å; I207-F466 HydrophobicContact CB-CZ 4.49Å; I207-F466 HydrophobicContact CG2-CZ 3.99Å; W208-F466 HydrophobicContact CB-CD1 4.35Å; W208-F466 HydrophobicContact CB-CE1 3.69Å; W208-F466 HydrophobicContact CB-CZ 4.2Å; W208-F466 HydrophobicContact CD2-CD1 4.31Å; W208-F466 HydrophobicContact CD2-CE1 4.36Å; W208-F466 HydrophobicContact CE3-CB 4.1Å; W208-F466 AromaticContact CE3-CD1 3.48Å; W208-F466 HydrophobicContact CE3-CD1 3.48Å; W208-F466 VanDerWaalsContact CE3-CD1 3.48Å; W208-F466 AromaticContact CE3-CD2 3.78Å; W208-F466 HydrophobicContact CE3-CD2 3.78Å; W208-F466 AromaticContact CE3-CE1 3.71Å; W208-F466 HydrophobicContact CE3-CE1 3.71Å; W208-F466 AromaticContact CE3-CE2 3.98Å; W208-F466 HydrophobicContact CE3-CE2 3.98Å; W208-F466 AromaticContact CE3-CG 3.5Å; W208-F466 HydrophobicContact CE3-CG 3.5Å; W208-F466 AromaticContact CE3-CZ 3.93Å; W208-F466 HydrophobicContact CE3-CZ 3.93Å; W208-F466 HydrophobicContact CG-CE1 4.41Å; W208-F466 HydrophobicContact CZ3-CB 3.86Å; W208-F466 HydrophobicContact CZ3-CD1 4.15Å; W208-F466 AromaticContact CZ3-CD2 3.93Å; W208-F466 HydrophobicContact CZ3-CD2 3.93Å; W208-F466 HydrophobicContact CZ3-CE2 4.48Å; W208-F466 AromaticContact CZ3-CG 3.72Å; W208-F466 HydrophobicContact CZ3-CG 3.72Å; C211-F466 HydrophobicContact CB-CE2 4.27Å; C211-F466 HydrophobicContact CB-CZ 4.44Å; P462-F466 HydrophobicContact CB-CD1 4.35Å; T463-F466 PolarHBondContact O-N 3.36Å; T463-F466 WeakPolarHBondContact OG1-CB 3.21Å; F466-Y468 VanDerWaalsContact C-N 3.32Å; F466-Y468 PolarHBondContact O-N 3.45Å; F466-H469 PolarHBondContact O-N 3.07Å; F466-H469 VanDerWaalsContact O-N 3.14Å; F466-C470 WeakPolarHBondContact CE1-SG 3.41Å; F466-C470 VanDerWaalsContact CZ-SG 3.51Å; F466-C470 WeakPolarHBondContact O-CB 3.12Å; F466-C470 PolarHBondContact O-N 3.15Å
467	L	66.3	Low	65.5	Low	47 Å²	47	80.8 Å²	80.8	25%	0.246	40%	0.403	C	S	.	.	H	α-helix	trans	-54.3	-44.7	172.8	-103.8	159.1	0	0	0	112.2	I204 P462 T463 K471	I204-L467 HydrophobicContact CD1-CD2 4.1Å; I204-L467 HydrophobicContact CG2-CD2 3.84Å; I204-L467 HydrophobicContact CG2-CG 4.12Å; P462-L467 HydrophobicContact CB-CD1 4.27Å; P462-L467 HydrophobicContact CB-CG 4.37Å; P462-L467 HydrophobicContact CG-CD1 4.06Å; P462-L467 HydrophobicContact CG-CG 4.46Å; T463-L467 PolarHBondContact O-N 2.99Å; L467-K471 VanDerWaalsContact O-CB 3.23Å; L467-K471 WeakPolarHBondContact O-CB 3.36Å; L467-K471 WeakPolarHBondContact O-CD 3.15Å; L467-K471 WeakPolarHBondContact O-CG 3.49Å; L467-K471 PolarHBondContact O-N 3.08Å; L467-K471 VanDerWaalsContact O-N 3.1Å
468	Y	63.6	Low	66.5	Low	124 Å²	124	76.2 Å²	76.2	49%	0.486	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-42.7	176	-176	-93.1	0	0	0	112.3	K464 Q465 F466 K471 R472	K464-Y468 PolarHBondContact O-N 3.48Å; Q465-Y468 PolarHBondContact O-N 3.34Å; F466-Y468 VanDerWaalsContact C-N 3.32Å; F466-Y468 PolarHBondContact O-N 3.45Å; Y468-K471 PolarHBondContact O-N 2.82Å; Y468-R472 PolarHBondContact O-N 3.39Å
469	H	68.6	Low	67.4	Low	118 Å²	118	69 Å²	69	55%	0.546	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-48.8	-177.9	-138.5	51.6	0	0	0	112.1	Q465 F466 K471 R472 I473	Q465-H469 PolarHBondContact O-N 3.03Å; F466-H469 PolarHBondContact O-N 3.07Å; F466-H469 VanDerWaalsContact O-N 3.14Å; H469-K471 VanDerWaalsContact C-N 3.31Å; H469-K471 PolarHBondContact O-N 2.89Å; H469-R472 PolarHBondContact O-N 3.33Å; H469-R472 VanDerWaalsContact O-N 3.1Å; H469-I473 WeakPolarHBondContact O-CG1 3.3Å; H469-I473 PolarHBondContact O-N 2.81Å
470	C	70.8	Confident	68.1	Low	15 Å²	15	72.5 Å²	72.5	10%	0.101	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-41.2	173.9	-71.8	0	0	0	0	112.1	I204 F466 R472 I473 I474	I204-C470 HydrophobicContact CD1-CB 4.3Å; I204-C470 HydrophobicContact CG1-CB 4.03Å; I204-C470 HydrophobicContact CG2-CB 4.47Å; F466-C470 WeakPolarHBondContact CE1-SG 3.41Å; F466-C470 VanDerWaalsContact CZ-SG 3.51Å; F466-C470 WeakPolarHBondContact O-CB 3.12Å; F466-C470 PolarHBondContact O-N 3.15Å; C470-R472 PolarHBondContact O-N 2.9Å; C470-I473 PolarHBondContact O-N 3.4Å; C470-I474 HydrophobicContact CB-CD1 3.83Å; C470-I474 HydrophobicContact CB-CG1 4.49Å; C470-I474 WeakPolarHBondContact O-CB 3.29Å; C470-I474 WeakPolarHBondContact O-CD1 3.41Å; C470-I474 VanDerWaalsContact O-CG1 3.27Å; C470-I474 WeakPolarHBondContact O-CG1 3.42Å; C470-I474 PolarHBondContact O-N 3.08Å
471	K	64	Low	68.9	Low	86 Å²	86	73.8 Å²	73.8	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-24.9	177	-79.6	173.6	178.4	178.8	0	113.9	I204 L467 Y468 H469	I204-K471 HydrophobicContact CD1-CG 3.84Å; L467-K471 VanDerWaalsContact O-CB 3.23Å; L467-K471 WeakPolarHBondContact O-CB 3.36Å; L467-K471 WeakPolarHBondContact O-CD 3.15Å; L467-K471 WeakPolarHBondContact O-CG 3.49Å; L467-K471 PolarHBondContact O-N 3.08Å; L467-K471 VanDerWaalsContact O-N 3.1Å; Y468-K471 PolarHBondContact O-N 2.82Å; H469-K471 VanDerWaalsContact C-N 3.31Å; H469-K471 PolarHBondContact O-N 2.89Å
472	R	67.1	Low	69.5	Low	101 Å²	101	67.8 Å²	67.8	38%	0.381	33%	0.332	S	S	.	.	H	α-helix	trans	-92	-39.5	176.3	-169.9	178.6	-175	-165.8	-1.7	113.1	I131 Y468 H469 C470	I131-R472 PolarHBondContact O-NE 3.14Å; Y468-R472 PolarHBondContact O-N 3.39Å; H469-R472 PolarHBondContact O-N 3.33Å; H469-R472 VanDerWaalsContact O-N 3.1Å; C470-R472 PolarHBondContact O-N 2.9Å
473	I	72.8	Confident	70.2	Confident	84 Å²	84	71.2 Å²	71.2	43%	0.431	35%	0.345	S	S	.	.	H	α-helix	trans	-77.9	-45.1	-173.7	-67.6	169.4	0	0	0	112.1	H469 C470 G476 C477	H469-I473 WeakPolarHBondContact O-CG1 3.3Å; H469-I473 PolarHBondContact O-N 2.81Å; C470-I473 PolarHBondContact O-N 3.4Å; I473-G476 WeakPolarHBondContact O-CA 3.45Å; I473-G476 PolarHBondContact O-N 2.91Å; I473-C477 PolarHBondContact O-N 3.02Å
474	I	73	Confident	70.8	Confident	23 Å²	23	72.8 Å²	72.8	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-42.7	-172.4	-61.9	164.4	0	0	0	112.9	Y196 I203 I204 I207 C470 G476 C477 I478	Y196-I474 HydrophobicContact CD2-CB 4.27Å; Y196-I474 HydrophobicContact CD2-CG2 3.42Å; Y196-I474 VanDerWaalsContact CD2-CG2 3.42Å; Y196-I474 HydrophobicContact CE2-CB 3.79Å; Y196-I474 HydrophobicContact CE2-CD1 4.05Å; Y196-I474 HydrophobicContact CE2-CG2 3.47Å; Y196-I474 VanDerWaalsContact CE2-CG2 3.47Å; Y196-I474 HydrophobicContact CG-CG2 4.13Å; I203-I474 HydrophobicContact CG2-CD1 4.06Å; I204-I474 HydrophobicContact CG1-CD1 4.01Å; I207-I474 HydrophobicContact CD1-CD1 3.71Å; I207-I474 HydrophobicContact CD1-CG1 4.28Å; C470-I474 HydrophobicContact CB-CD1 3.83Å; C470-I474 HydrophobicContact CB-CG1 4.49Å; C470-I474 WeakPolarHBondContact O-CB 3.29Å; C470-I474 WeakPolarHBondContact O-CD1 3.41Å; C470-I474 VanDerWaalsContact O-CG1 3.27Å; C470-I474 WeakPolarHBondContact O-CG1 3.42Å; C470-I474 PolarHBondContact O-N 3.08Å; I474-G476 VanDerWaalsContact C-N 3.32Å; I474-G476 PolarHBondContact O-N 2.97Å; I474-C477 PolarHBondContact O-N 3.29Å; I474-I478 HydrophobicContact CG2-CD1 3.89Å; I474-I478 HydrophobicContact CG2-CG1 4.49Å; I474-I478 WeakPolarHBondContact O-CG1 3.38Å; I474-I478 PolarHBondContact O-N 3.2Å
475	P	64.8	Low	71.3	Confident	4 Å²	4	65.6 Å²	65.6	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-41.8	172.5	-26.2	35	0	0	0	113.6	Y196 I478 Y479	Y196-P475 HydrophobicContact CD1-CG 4.44Å; Y196-P475 HydrophobicContact CE1-CG 3.7Å; P475-I478 WeakPolarHBondContact O-CB 3.32Å; P475-I478 PolarHBondContact O-N 2.88Å; P475-Y479 WeakPolarHBondContact O-CD2 3.31Å; P475-Y479 PolarHBondContact O-N 3.49Å; P475-Y479 VanDerWaalsContact O-N 3.13Å
476	G	66.3	Low	71.6	Confident	27 Å²	27	57.6 Å²	57.6	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177.5	0	0	0	0	0	112.2	I473 I474 I478 Y479 I480	I473-G476 WeakPolarHBondContact O-CA 3.45Å; I473-G476 PolarHBondContact O-N 2.91Å; I474-G476 VanDerWaalsContact C-N 3.32Å; I474-G476 PolarHBondContact O-N 2.97Å; G476-I478 VanDerWaalsContact C-N 3.26Å; G476-I478 PolarHBondContact O-N 3Å; G476-Y479 PolarHBondContact O-N 3.49Å; G476-I480 WeakPolarHBondContact O-CG1 3.27Å; G476-I480 PolarHBondContact O-N 3.3Å
477	C	74.1	Confident	71.9	Confident	56 Å²	56	59.8 Å²	59.8	38%	0.378	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-36.9	173.8	-62	0	0	0	0	112.2	I473 I474 I480 I481	I473-C477 PolarHBondContact O-N 3.02Å; I474-C477 PolarHBondContact O-N 3.29Å; C477-I480 PolarHBondContact O-N 3.19Å; C477-I481 WeakPolarHBondContact O-CB 3.5Å; C477-I481 WeakPolarHBondContact O-CD1 3.43Å; C477-I481 VanDerWaalsContact O-CG1 3.24Å; C477-I481 WeakPolarHBondContact O-CG1 3.32Å; C477-I481 PolarHBondContact O-N 3.13Å
478	I	73.6	Confident	72.4	Confident	20 Å²	20	60.4 Å²	60.4	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-44.9	177	-73.3	161.9	0	0	0	111.7	Y192 Y196 I474 P475 G476 I480 I481 S482	Y192-I478 VanDerWaalsContact CB-CG2 3.45Å; Y196-I478 HydrophobicContact CD1-CD1 4.15Å; Y196-I478 HydrophobicContact CD2-CD1 4.31Å; Y196-I478 HydrophobicContact CG-CD1 3.68Å; I474-I478 HydrophobicContact CG2-CD1 3.89Å; I474-I478 HydrophobicContact CG2-CG1 4.49Å; I474-I478 WeakPolarHBondContact O-CG1 3.38Å; I474-I478 PolarHBondContact O-N 3.2Å; P475-I478 WeakPolarHBondContact O-CB 3.32Å; P475-I478 PolarHBondContact O-N 2.88Å; G476-I478 VanDerWaalsContact C-N 3.26Å; G476-I478 PolarHBondContact O-N 3Å; I478-I480 VanDerWaalsContact C-N 3.34Å; I478-I480 PolarHBondContact O-N 2.78Å; I478-I481 PolarHBondContact O-N 2.89Å; I478-S482 WeakPolarHBondContact O-CB 3.42Å; I478-S482 PolarHBondContact O-N 3.31Å; I478-S482 PolarHBondContact O-OG 2.76Å
479	Y	69.1	Low	72.8	Confident	22 Å²	22	54.5 Å²	54.5	9%	0.086	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-38.2	175.6	-72.8	-72.9	0	0	0	112	F133 P134 F185 A189 P475 G476 S482 F483	F133-Y479 WeakPolarHBondContact O-CD2 3.07Å; F133-Y479 WeakPolarHBondContact O-CE2 3.48Å; P134-Y479 VanDerWaalsContact CD-CZ 3.46Å; P134-Y479 HydrophobicContact CG-CE1 4.45Å; F185-Y479 HydrophobicContact CZ-CD1 4.1Å; A189-Y479 HydrophobicContact CB-CD1 3.55Å; A189-Y479 HydrophobicContact CB-CE1 3.56Å; P475-Y479 WeakPolarHBondContact O-CD2 3.31Å; P475-Y479 PolarHBondContact O-N 3.49Å; P475-Y479 VanDerWaalsContact O-N 3.13Å; G476-Y479 PolarHBondContact O-N 3.49Å; Y479-S482 PolarHBondContact O-N 3.38Å; Y479-F483 WeakPolarHBondContact O-CB 3.28Å; Y479-F483 PolarHBondContact O-N 3.06Å
480	I	75.3	Confident	72.9	Confident	107 Å²	107	51.7 Å²	51.7	55%	0.549	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-46.2	175.7	-66.9	165.1	0	0	0	111.3	G476 C477 I478 S482 F483 I484	G476-I480 WeakPolarHBondContact O-CG1 3.27Å; G476-I480 PolarHBondContact O-N 3.3Å; C477-I480 PolarHBondContact O-N 3.19Å; I478-I480 VanDerWaalsContact C-N 3.34Å; I478-I480 PolarHBondContact O-N 2.78Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 3.34Å; I480-F483 PolarHBondContact O-N 3.19Å; I480-I484 HydrophobicContact CG2-CD1 3.86Å; I480-I484 VanDerWaalsContact O-CG1 3.32Å; I480-I484 WeakPolarHBondContact O-CG1 3.37Å; I480-I484 PolarHBondContact O-N 3Å
481	I	77.7	Confident	73	Confident	91 Å²	91	56.2 Å²	56.2	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-42.3	177.1	-70.6	164.1	0	0	0	110.6	C477 I478 I484 I485	C477-I481 WeakPolarHBondContact O-CB 3.5Å; C477-I481 WeakPolarHBondContact O-CD1 3.43Å; C477-I481 VanDerWaalsContact O-CG1 3.24Å; C477-I481 WeakPolarHBondContact O-CG1 3.32Å; C477-I481 PolarHBondContact O-N 3.13Å; I478-I481 PolarHBondContact O-N 2.89Å; I481-I484 PolarHBondContact O-N 3.34Å; I481-I485 HydrophobicContact CG2-CD1 3.7Å; I481-I485 HydrophobicContact CG2-CG1 4.45Å; I481-I485 VanDerWaalsContact O-CG1 3.3Å; I481-I485 WeakPolarHBondContact O-CG1 3.48Å; I481-I485 PolarHBondContact O-N 3.01Å
482	S	74.7	Confident	73.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-48.8	175.7	-54.9	0	0	0	0	111	A189 I478 Y479 I480 I484 I485 T486	A189-S482 WeakPolarHBondContact CA-OG 3.41Å; I478-S482 WeakPolarHBondContact O-CB 3.42Å; I478-S482 PolarHBondContact O-N 3.31Å; I478-S482 PolarHBondContact O-OG 2.76Å; Y479-S482 PolarHBondContact O-N 3.38Å; I480-S482 VanDerWaalsContact C-N 3.34Å; I480-S482 PolarHBondContact O-N 3.34Å; S482-I484 VanDerWaalsContact C-N 3.33Å; S482-I484 PolarHBondContact O-N 3.43Å; S482-I485 PolarHBondContact O-N 3.06Å; S482-T486 WeakPolarHBondContact O-CG2 3.25Å; S482-T486 PolarHBondContact O-N 3Å; S482-T486 PolarHBondContact O-OG1 3.25Å
483	F	78.3	Confident	73.5	Confident	97 Å²	97	48.1 Å²	48.1	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-42.3	177.9	-176.4	-94.6	0	0	0	112.5	F181 F185 Y479 I480 T486 L487	F181-F483 HydrophobicContact CE1-CE2 4.31Å; F181-F483 AromaticContact CZ-CD2 3.78Å; F181-F483 HydrophobicContact CZ-CD2 3.78Å; F181-F483 AromaticContact CZ-CE2 3.68Å; F181-F483 HydrophobicContact CZ-CE2 3.68Å; F185-F483 HydrophobicContact CD2-CB 4.27Å; F185-F483 HydrophobicContact CE2-CB 3.84Å; F185-F483 HydrophobicContact CE2-CD2 4.36Å; Y479-F483 WeakPolarHBondContact O-CB 3.28Å; Y479-F483 PolarHBondContact O-N 3.06Å; I480-F483 PolarHBondContact O-N 3.19Å; F483-T486 PolarHBondContact O-N 2.67Å; F483-T486 PolarHBondContact O-OG1 3.14Å; F483-L487 HydrophobicContact CD1-CD1 4.22Å; F483-L487 HydrophobicContact CE1-CD1 3.73Å; F483-L487 HydrophobicContact CZ-CD1 4.44Å; F483-L487 WeakPolarHBondContact O-CB 3.18Å; F483-L487 PolarHBondContact O-N 3.27Å
484	I	81.1	Confident	73.5	Confident	106 Å²	106	49.1 Å²	49.1	54%	0.544	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-41.9	177.5	-67.9	165.4	0	0	0	111.3	I480 I481 S482 T486 L487	I480-I484 HydrophobicContact CG2-CD1 3.86Å; I480-I484 VanDerWaalsContact O-CG1 3.32Å; I480-I484 WeakPolarHBondContact O-CG1 3.37Å; I480-I484 PolarHBondContact O-N 3Å; I481-I484 PolarHBondContact O-N 3.34Å; S482-I484 VanDerWaalsContact C-N 3.33Å; S482-I484 PolarHBondContact O-N 3.43Å; I484-T486 VanDerWaalsContact C-N 3.33Å; I484-T486 PolarHBondContact O-N 2.82Å; I484-L487 PolarHBondContact O-N 3.35Å
485	I	76.7	Confident	73.4	Confident	42 Å²	42	51.5 Å²	51.5	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-36.4	178	-71.1	169.1	0	0	0	111.5	Y192 I481 S482 Y516	Y192-I485 HydrophobicContact CE2-CD1 4.22Å; I481-I485 HydrophobicContact CG2-CD1 3.7Å; I481-I485 HydrophobicContact CG2-CG1 4.45Å; I481-I485 VanDerWaalsContact O-CG1 3.3Å; I481-I485 WeakPolarHBondContact O-CG1 3.48Å; I481-I485 PolarHBondContact O-N 3.01Å; S482-I485 PolarHBondContact O-N 3.06Å; I485-Y516 HydrophobicContact CG2-CE1 3.9Å; I485-Y516 WeakPolarHBondContact CG2-OH 3.11Å
486	T	75.3	Confident	73.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-85.7	-12.1	178.7	61.6	0	0	0	0	114.2	F181 L184 F185 T188 S482 F483 I484 S489	F181-T486 VanDerWaalsContact CE2-OG1 3.32Å; F181-T486 WeakPolarHBondContact CE2-OG1 3.3Å; L184-T486 HydrophobicContact CB-CG2 4.1Å; L184-T486 HydrophobicContact CD2-CG2 3.8Å; L184-T486 HydrophobicContact CG-CG2 3.68Å; F185-T486 HydrophobicContact CB-CG2 4.42Å; T188-T486 HydrophobicContact CG2-CG2 3.76Å; S482-T486 WeakPolarHBondContact O-CG2 3.25Å; S482-T486 PolarHBondContact O-N 3Å; S482-T486 PolarHBondContact O-OG1 3.25Å; F483-T486 PolarHBondContact O-N 2.67Å; F483-T486 PolarHBondContact O-OG1 3.14Å; I484-T486 VanDerWaalsContact C-N 3.33Å; I484-T486 PolarHBondContact O-N 2.82Å; T486-S489 VanDerWaalsContact O-CB 3.25Å; T486-S489 WeakPolarHBondContact O-CB 3.34Å; T486-S489 PolarHBondContact O-N 2.74Å; T486-S489 PolarHBondContact O-OG 3.32Å
487	L	77.6	Confident	73.7	Confident	85 Å²	85	60 Å²	60	45%	0.445	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-56.3	-44	-175.8	-153.1	150.5	0	0	0	114.1	F483 I484 S489 I490	F483-L487 HydrophobicContact CD1-CD1 4.22Å; F483-L487 HydrophobicContact CE1-CD1 3.73Å; F483-L487 HydrophobicContact CZ-CD1 4.44Å; F483-L487 WeakPolarHBondContact O-CB 3.18Å; F483-L487 PolarHBondContact O-N 3.27Å; I484-L487 PolarHBondContact O-N 3.35Å; L487-S489 PolarHBondContact O-N 2.75Å; L487-I490 WeakPolarHBondContact O-CB 3.2Å; L487-I490 WeakPolarHBondContact O-CG1 3.31Å; L487-I490 PolarHBondContact O-N 3.07Å
488	P	76.3	Confident	73.3	Confident	60 Å²	60	61.1 Å²	61.1	39%	0.39	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-76.2	-0.9	179.2	-0.7	17	0	0	0	113.9	I490 T491 Y513	P488-I490 PolarHBondContact O-N 3.27Å; P488-T491 PolarHBondContact O-N 3.33Å; P488-T491 PolarHBondContact O-OG1 3.16Å; P488-Y513 VanDerWaalsContact C-OH 3.29Å; P488-Y513 WeakPolarHBondContact CB-OH 3.42Å; P488-Y513 WeakPolarHBondContact CD-OH 3.38Å; P488-Y513 WeakPolarHBondContact CG-OH 3.2Å
489	S	71.4	Confident	72.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-72	-20.1	169.1	92	0	0	0	0	112	T486 L487 T491 A492 Y513	T486-S489 VanDerWaalsContact O-CB 3.25Å; T486-S489 WeakPolarHBondContact O-CB 3.34Å; T486-S489 PolarHBondContact O-N 2.74Å; T486-S489 PolarHBondContact O-OG 3.32Å; L487-S489 PolarHBondContact O-N 2.75Å; S489-T491 VanDerWaalsContact C-N 3.35Å; S489-A492 WeakPolarHBondContact O-CB 3.14Å; S489-A492 PolarHBondContact O-N 2.92Å; S489-Y513 PolarHBondContact N-OH 3.45Å
490	I	71.2	Confident	72.4	Confident	60 Å²	60	68.7 Å²	68.7	31%	0.308	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-65.4	-42.2	174.2	-59.1	173.4	0	0	0	109.6	Q177 F181 L487 P488 A492	Q177-I490 HydrophobicContact CG-CG2 4.22Å; Q177-I490 PolarHBondContact NE2-O 3.05Å; F181-I490 HydrophobicContact CB-CG1 4.33Å; F181-I490 HydrophobicContact CD2-CD1 3.84Å; F181-I490 HydrophobicContact CD2-CG1 3.56Å; F181-I490 HydrophobicContact CE2-CD1 3.93Å; F181-I490 HydrophobicContact CE2-CG1 4.14Å; F181-I490 HydrophobicContact CG-CD1 4.39Å; F181-I490 HydrophobicContact CG-CG1 4.08Å; L487-I490 WeakPolarHBondContact O-CB 3.2Å; L487-I490 WeakPolarHBondContact O-CG1 3.31Å; L487-I490 PolarHBondContact O-N 3.07Å; P488-I490 PolarHBondContact O-N 3.27Å; I490-A492 PolarHBondContact O-N 3.45Å
491	T	73.7	Confident	71.8	Confident	110 Å²	110	68 Å²	68	68%	0.675	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-78.6	6.1	176.5	42.7	0	0	0	0	114.4	P488 S489 F493	P488-T491 PolarHBondContact O-N 3.33Å; P488-T491 PolarHBondContact O-OG1 3.16Å; S489-T491 VanDerWaalsContact C-N 3.35Å; T491-F493 VanDerWaalsContact C-N 3.31Å
492	A	70.6	Confident	71.2	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.008	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-84	-2.8	-179.7	0	0	0	0	0	114	S489 I490 T507 M509 C510 Y513	S489-A492 WeakPolarHBondContact O-CB 3.14Å; S489-A492 PolarHBondContact O-N 2.92Å; I490-A492 PolarHBondContact O-N 3.45Å; A492-T507 WeakPolarHBondContact O-CB 3.37Å; A492-T507 WeakPolarHBondContact O-CG2 3.36Å; A492-T507 PolarHBondContact O-N 2.92Å; A492-T507 PolarHBondContact O-OG1 3.34Å; A492-M509 HydrophobicContact CB-CB 4.24Å; A492-C510 HydrophobicContact CB-CB 4.01Å; A492-C510 WeakPolarHBondContact O-CB 3.45Å; A492-Y513 HydrophobicContact CB-CD2 4.18Å; A492-Y513 HydrophobicContact CB-CE2 4.46Å
493	F	70.8	Confident	70.8	Confident	16 Å²	16	68 Å²	68	7%	0.07	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.2	178.1	-61.9	-83.2	0	0	0	111.6	P82 Q177 F180 T491 T504 R505 C506	P82-F493 HydrophobicContact CG-CE1 4.24Å; P82-F493 HydrophobicContact CG-CZ 4.3Å; Q177-F493 HydrophobicContact CB-CD2 4.38Å; Q177-F493 HydrophobicContact CG-CD2 4.29Å; F180-F493 HydrophobicContact CB-CE2 3.64Å; F180-F493 HydrophobicContact CB-CZ 3.75Å; F180-F493 AromaticContact CD1-CE2 3.51Å; F180-F493 HydrophobicContact CD1-CE2 3.51Å; F180-F493 AromaticContact CD1-CZ 3.84Å; F180-F493 HydrophobicContact CD1-CZ 3.84Å; F180-F493 HydrophobicContact CD2-CZ 4.18Å; F180-F493 HydrophobicContact CE1-CE2 4.28Å; F180-F493 HydrophobicContact CE1-CZ 4.44Å; F180-F493 AromaticContact CG-CE2 3.69Å; F180-F493 HydrophobicContact CG-CE2 3.69Å; F180-F493 AromaticContact CG-CZ 3.67Å; F180-F493 HydrophobicContact CG-CZ 3.67Å; T491-F493 VanDerWaalsContact C-N 3.31Å; F493-T504 HydrophobicContact CB-CG2 3.7Å; F493-T504 HydrophobicContact CD1-CG2 4.1Å; F493-T504 HydrophobicContact CG-CG2 3.96Å; F493-R505 WeakPolarHBondContact CA-O 3.26Å; F493-C506 HydrophobicContact CE1-CB 4.27Å
494	E	71.7	Confident	70.3	Confident	104 Å²	104	63.6 Å²	63.6	49%	0.486	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.8	178.1	-173.3	167.9	-135.8	0	0	109.1	R505 T507	E494-R505 HydrophobicContact CB-CB 4.49Å; E494-R505 PolarHBondContact N-O 2.85Å; E494-R505 PolarHBondContact O-N 3.21Å; E494-T507 HydrophobicContact CB-CG2 3.84Å
495	P	72	Confident	69.6	Low	73 Å²	73	62.7 Å²	62.7	47%	0.474	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136.1	173.2	28.5	-32	0	0	0	110.5	W173 I502 L503	W173-P495 HydrophobicContact CZ2-CB 4.44Å; P495-I502 HydrophobicContact CB-CG2 3.82Å; P495-L503 WeakPolarHBondContact CA-O 3.46Å
496	I	69.9	Low	69.2	Low	61 Å²	61	60.8 Å²	60.8	31%	0.313	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132	167.6	-67.7	-168.4	0	0	0	108.3	L503 R505	I496-L503 PolarHBondContact N-O 3.21Å; I496-L503 PolarHBondContact O-N 3.25Å; I496-R505 HydrophobicContact CD1-CB 3.94Å; I496-R505 VanDerWaalsContact CD1-CD 3.43Å; I496-R505 HydrophobicContact CD1-CG 4.29Å; I496-R505 HydrophobicContact CG1-CB 4.3Å
497	E	66.2	Low	68.9	Low	148 Å²	148	62.2 Å²	62.2	69%	0.692	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.6	166.7	-71.8	-177.6	130.4	0	0	110	M501 I502	E497-M501 WeakPolarHBondContact CA-O 3.21Å; E497-I502 HydrophobicContact CG-CG1 4.03Å
498	E	65.4	Low	68.4	Low	80 Å²	80	63.6 Å²	63.6	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.5	173.3	-149.4	-177.6	171.8	0	0	106.3	K167 G500 M501 L503	K167-E498 VanDerWaalsContact CE-OE2 3.28Å; K167-E498 WeakPolarHBondContact CE-OE2 3.43Å; K167-E498 IonicContact NZ-OE1 3.37Å; K167-E498 PolarHBondContact NZ-OE1 3.18Å; K167-E498 IonicContact NZ-OE2 3.5Å; K167-E498 PolarHBondContact NZ-OE2 3.39Å; E498-G500 PolarHBondContact O-N 3.01Å; E498-M501 PolarHBondContact N-O 2.93Å; E498-M501 PolarHBondContact O-N 2.94Å; E498-L503 HydrophobicContact CB-CD1 3.99Å; E498-L503 HydrophobicContact CB-CD2 4.38Å; E498-L503 WeakPolarHBondContact OE2-CD2 3.43Å
499	D	61.1	Low	68	Low	134 Å²	134	66.2 Å²	66.2	72%	0.717	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	38.2	-173.3	-55.1	-14.7	0	0	0	114.9	Y168 M501	Y168-D499 WeakPolarHBondContact OH-CB 3.38Å; Y168-D499 PolarHBondContact OH-OD2 2.86Å; D499-M501 VanDerWaalsContact C-N 3.27Å; D499-M501 PolarHBondContact O-N 3.38Å
500	G	64.4	Low	67.8	Low	68 Å²	68	66.3 Å²	66.3	70%	0.701	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	10.7	179.9	0	0	0	0	0	115.1	E498	E498-G500 PolarHBondContact O-N 3.01Å
501	M	61.6	Low	67.5	Low	93 Å²	93	65 Å²	65	46%	0.458	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.6	176.1	-70	-77	-79.4	0	0	110.3	Y168 E497 E498 D499 L503	Y168-M501 HydrophobicContact CD1-CB 4.17Å; Y168-M501 HydrophobicContact CD2-CG 4.49Å; Y168-M501 HydrophobicContact CE1-CB 4.41Å; Y168-M501 HydrophobicContact CG-CE 4.34Å; Y168-M501 HydrophobicContact CG-CG 4.44Å; E497-M501 WeakPolarHBondContact CA-O 3.21Å; E498-M501 PolarHBondContact N-O 2.93Å; E498-M501 PolarHBondContact O-N 2.94Å; D499-M501 VanDerWaalsContact C-N 3.27Å; D499-M501 PolarHBondContact O-N 3.38Å; M501-L503 HydrophobicContact CB-CD1 3.92Å; M501-L503 WeakPolarHBondContact O-CD1 3.33Å; M501-L503 PolarHBondContact O-N 3.26Å
502	I	64.6	Low	67.3	Low	83 Å²	83	62.7 Å²	62.7	43%	0.426	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.1	176.1	-50.2	175.6	0	0	0	110	W173 P495 E497	W173-I502 HydrophobicContact CB-CB 4.35Å; W173-I502 HydrophobicContact CB-CG2 3.92Å; W173-I502 HydrophobicContact CD2-CG2 4.39Å; W173-I502 HydrophobicContact CG-CG2 3.86Å; W173-I502 PolarHBondContact N-O 3.33Å; W173-I502 VanDerWaalsContact N-O 3.07Å; P495-I502 HydrophobicContact CB-CG2 3.82Å; E497-I502 HydrophobicContact CG-CG1 4.03Å
503	L	66.8	Low	67.3	Low	6 Å²	6	64.2 Å²	64.2	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	158.9	175	-71.6	72	0	0	0	110.6	Y168 L171 P495 I496 E498 M501	Y168-L503 HydrophobicContact CD1-CD1 3.75Å; Y168-L503 HydrophobicContact CD1-CD2 4.11Å; Y168-L503 HydrophobicContact CD1-CG 4.19Å; Y168-L503 HydrophobicContact CE1-CD1 3.87Å; Y168-L503 HydrophobicContact CE1-CD2 4.13Å; Y168-L503 HydrophobicContact CE1-CG 4.5Å; L171-L503 HydrophobicContact CB-CB 4.21Å; L171-L503 HydrophobicContact CB-CD2 3.82Å; L171-L503 HydrophobicContact CB-CG 3.99Å; L171-L503 HydrophobicContact CD1-CD2 3.97Å; L171-L503 CarbonylContact O-C 3.55Å; L171-L503 VanDerWaalsContact O-CA 3.3Å; L171-L503 WeakPolarHBondContact O-CA 3.36Å; P495-L503 WeakPolarHBondContact CA-O 3.46Å; I496-L503 PolarHBondContact N-O 3.21Å; I496-L503 PolarHBondContact O-N 3.25Å; E498-L503 HydrophobicContact CB-CD1 3.99Å; E498-L503 HydrophobicContact CB-CD2 4.38Å; E498-L503 WeakPolarHBondContact OE2-CD2 3.43Å; M501-L503 HydrophobicContact CB-CD1 3.92Å; M501-L503 WeakPolarHBondContact O-CD1 3.33Å; M501-L503 PolarHBondContact O-N 3.26Å
504	T	67.5	Low	67.1	Low	6 Å²	6	64.4 Å²	64.4	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.9	164.9	51.9	0	0	0	0	112.5	L171 W173 A176 Q177 F493	L171-T504 PolarHBondContact O-N 3.27Å; L171-T504 PolarHBondContact O-OG1 2.7Å; W173-T504 HydrophobicContact CG-CG2 4.36Å; A176-T504 HydrophobicContact CB-CG2 3.95Å; A176-T504 WeakPolarHBondContact CB-OG1 3.33Å; Q177-T504 HydrophobicContact CB-CG2 4.46Å; F493-T504 HydrophobicContact CB-CG2 3.7Å; F493-T504 HydrophobicContact CD1-CG2 4.1Å; F493-T504 HydrophobicContact CG-CG2 3.96Å
505	R	66.9	Low	67	Low	87 Å²	87	64.2 Å²	64.2	33%	0.328	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.9	157.9	-170.4	173.5	-175.1	159.8	2.4	110.3	L79 F493 E494 I496 T507	L79-R505 HydrophobicContact CB-CG 4.17Å; L79-R505 WeakPolarHBondContact O-CG 3.12Å; F493-R505 WeakPolarHBondContact CA-O 3.26Å; E494-R505 HydrophobicContact CB-CB 4.49Å; E494-R505 PolarHBondContact N-O 2.85Å; E494-R505 PolarHBondContact O-N 3.21Å; I496-R505 HydrophobicContact CD1-CB 3.94Å; I496-R505 VanDerWaalsContact CD1-CD 3.43Å; I496-R505 HydrophobicContact CD1-CG 4.29Å; I496-R505 HydrophobicContact CG1-CB 4.3Å; R505-T507 PolarHBondContact O-N 2.9Å
506	C	67.6	Low	67	Low	2 Å²	2	64.7 Å²	64.7	1%	0.014	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	109.2	174.1	174.1	0	0	0	0	110.3	L79 S80 E81 F493 C510	L79-C506 CarbonylContact O-C 3.21Å; L79-C506 WeakPolarHBondContact O-CA 3.31Å; L79-C506 PolarHBondContact O-N 2.82Å; S80-C506 PolarHBondContact O-N 2.72Å; S80-C506 VanDerWaalsContact O-N 3.15Å; E81-C506 VanDerWaalsContact C-CB 3.5Å; F493-C506 HydrophobicContact CE1-CB 4.27Å; C506-C510 HydrophobicContact CB-CB 3.97Å; C506-C510 WeakPolarHBondContact CB-SG 3.28Å; C506-C510 WeakPolarHBondContact SG-CB 3.22Å; C506-C510 CovalentContact SG-SG 2.04Å; C506-C510 PolarHBondContact SG-SG 3.26Å
507	T	70.4	Confident	67	Low	29 Å²	29	62 Å²	62	18%	0.178	32%	0.321	C	S	.	.			trans	-72	173.7	178.2	68.7	0	0	0	0	112.1	A492 E494 R505 M509 C510 R511	A492-T507 WeakPolarHBondContact O-CB 3.37Å; A492-T507 WeakPolarHBondContact O-CG2 3.36Å; A492-T507 PolarHBondContact O-N 2.92Å; A492-T507 PolarHBondContact O-OG1 3.34Å; E494-T507 HydrophobicContact CB-CG2 3.84Å; R505-T507 PolarHBondContact O-N 2.9Å; T507-M509 PolarHBondContact O-N 3.35Å; T507-M509 WeakPolarHBondContact OG1-CB 3.37Å; T507-M509 PolarHBondContact OG1-N 3.18Å; T507-C510 WeakPolarHBondContact O-CB 3.23Å; T507-C510 PolarHBondContact O-N 3.43Å; T507-C510 PolarHBondContact OG1-N 3.29Å; T507-R511 PolarHBondContact O-N 2.91Å
508	T	67.2	Low	67.2	Low	114 Å²	114	56.6 Å²	56.6	70%	0.699	30%	0.297	S	S	*	.	H	α-helix	trans	-57.3	-27.3	169.1	49.8	0	0	0	0	113.1	R511 S512	T508-R511 PolarHBondContact O-N 3.06Å; T508-S512 PolarHBondContact O-N 3.45Å
509	M	67.1	Low	67.8	Low	115 Å²	115	56.3 Å²	56.3	57%	0.567	30%	0.3	S	S	*	.	H	α-helix	trans	-67.7	-37.8	172	-64	-67.4	-162.8	0	0	112.3	A492 T507 R511 S512 Y513	A492-M509 HydrophobicContact CB-CB 4.24Å; T507-M509 PolarHBondContact O-N 3.35Å; T507-M509 WeakPolarHBondContact OG1-CB 3.37Å; T507-M509 PolarHBondContact OG1-N 3.18Å; M509-R511 PolarHBondContact O-N 3.41Å; M509-S512 WeakPolarHBondContact CA-OG 3.44Å; M509-S512 PolarHBondContact O-N 2.84Å; M509-S512 VanDerWaalsContact O-N 3.13Å; M509-S512 PolarHBondContact O-OG 3.06Å; M509-Y513 WeakPolarHBondContact O-CD2 3.46Å; M509-Y513 PolarHBondContact O-N 3Å
510	C	66.5	Low	68.4	Low	3 Å²	3	52 Å²	52	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-33.5	175.9	157.6	0	0	0	0	111.3	A492 C506 T507	A492-C510 HydrophobicContact CB-CB 4.01Å; A492-C510 WeakPolarHBondContact O-CB 3.45Å; C506-C510 HydrophobicContact CB-CB 3.97Å; C506-C510 WeakPolarHBondContact CB-SG 3.28Å; C506-C510 WeakPolarHBondContact SG-CB 3.22Å; C506-C510 CovalentContact SG-SG 2.04Å; C506-C510 PolarHBondContact SG-SG 3.26Å; T507-C510 WeakPolarHBondContact O-CB 3.23Å; T507-C510 PolarHBondContact O-N 3.43Å; T507-C510 PolarHBondContact OG1-N 3.29Å
511	R	65.4	Low	68.6	Low	33 Å²	33	48.7 Å²	48.7	13%	0.125	25%	0.245	C	C	.	.	H	α-helix	trans	-77	-34.7	169.3	-82.2	174.4	156.2	179.3	-11.6	114.5	E78 D83 T507 T508 M509 Y513 F514 Y515 R578	E78-R511 VanDerWaalsContact O-CZ 3.29Å; E78-R511 PolarHBondContact O-NH1 3.41Å; E78-R511 IonicContact OE2-CZ 3.68Å; E78-R511 IonicContact OE2-NH1 2.65Å; E78-R511 PolarHBondContact OE2-NH1 2.87Å; E78-R511 IonicContact OE2-NH2 2.76Å; E78-R511 PolarHBondContact OE2-NH2 3.22Å; D83-R511 IonicContact OD1-CZ 3.59Å; D83-R511 IonicContact OD1-NE 3.63Å; D83-R511 PolarHBondContact OD1-NE 2.69Å; D83-R511 IonicContact OD1-NH2 3.15Å; D83-R511 PolarHBondContact OD1-NH2 2.86Å; D83-R511 IonicContact OD2-NE 2.67Å; T507-R511 PolarHBondContact O-N 2.91Å; T508-R511 PolarHBondContact O-N 3.06Å; M509-R511 PolarHBondContact O-N 3.41Å; R511-Y513 VanDerWaalsContact C-N 3.32Å; R511-Y513 PolarHBondContact O-N 2.78Å; R511-F514 WeakPolarHBondContact O-CB 3.18Å; R511-F514 PolarHBondContact O-N 3.05Å; R511-Y515 VanDerWaalsContact O-CD2 3.31Å; R511-Y515 WeakPolarHBondContact O-CD2 3.49Å; R511-R578 VanDerWaalsContact CZ-NH2 3.27Å; R511-R578 VanDerWaalsContact NH1-NH2 3.11Å
512	S	70.7	Confident	69	Low	60 Å²	60	44.3 Å²	44.3	42%	0.42	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-34.7	175.7	75	0	0	0	0	112.1	T508 M509 F514 Y515 Y516	T508-S512 PolarHBondContact O-N 3.45Å; M509-S512 WeakPolarHBondContact CA-OG 3.44Å; M509-S512 PolarHBondContact O-N 2.84Å; M509-S512 VanDerWaalsContact O-N 3.13Å; M509-S512 PolarHBondContact O-OG 3.06Å; S512-F514 PolarHBondContact O-N 2.92Å; S512-Y515 PolarHBondContact O-N 2.03Å; S512-Y516 PolarHBondContact O-N 3.28Å
513	Y	69.8	Low	69.4	Low	33 Å²	33	42.1 Å²	42.1	13%	0.129	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-32.8	171.5	-95.3	-67.7	0	0	0	113.6	L184 P488 S489 A492 M509 R511 Y516 D517	L184-Y513 HydrophobicContact CD2-CD1 3.94Å; L184-Y513 HydrophobicContact CD2-CE1 4.18Å; P488-Y513 VanDerWaalsContact C-OH 3.29Å; P488-Y513 WeakPolarHBondContact CB-OH 3.42Å; P488-Y513 WeakPolarHBondContact CD-OH 3.38Å; P488-Y513 WeakPolarHBondContact CG-OH 3.2Å; S489-Y513 PolarHBondContact N-OH 3.45Å; A492-Y513 HydrophobicContact CB-CD2 4.18Å; A492-Y513 HydrophobicContact CB-CE2 4.46Å; M509-Y513 WeakPolarHBondContact O-CD2 3.46Å; M509-Y513 PolarHBondContact O-N 3Å; R511-Y513 VanDerWaalsContact C-N 3.32Å; R511-Y513 PolarHBondContact O-N 2.78Å; Y513-Y516 PolarHBondContact O-N 3.4Å; Y513-D517 PolarHBondContact O-N 3.3Å
514	F	65.6	Low	70.1	Confident	20 Å²	20	47 Å²	47	9%	0.088	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-46.3	176.8	173.7	-117.3	0	0	0	112.4	F84 R511 S512 Y516 D517 L518 M571 S574	F84-F514 AromaticContact CE1-CE2 3.99Å; F84-F514 HydrophobicContact CE1-CE2 3.99Å; F84-F514 HydrophobicContact CE1-CZ 4.18Å; F84-F514 AromaticContact CE2-CD2 3.95Å; F84-F514 HydrophobicContact CE2-CD2 3.95Å; F84-F514 AromaticContact CE2-CE2 3.56Å; F84-F514 HydrophobicContact CE2-CE2 3.56Å; F84-F514 HydrophobicContact CZ-CD2 4.1Å; F84-F514 AromaticContact CZ-CE2 3.24Å; F84-F514 HydrophobicContact CZ-CE2 3.24Å; F84-F514 AromaticContact CZ-CZ 3.85Å; F84-F514 HydrophobicContact CZ-CZ 3.85Å; R511-F514 WeakPolarHBondContact O-CB 3.18Å; R511-F514 PolarHBondContact O-N 3.05Å; S512-F514 PolarHBondContact O-N 2.92Å; F514-Y516 VanDerWaalsContact C-N 3.33Å; F514-D517 PolarHBondContact O-N 3.1Å; F514-L518 PolarHBondContact O-N 3.5Å; F514-M571 HydrophobicContact CD2-CE 4.06Å; F514-M571 HydrophobicContact CE2-CB 4.49Å; F514-M571 HydrophobicContact CE2-CE 3.57Å; F514-M571 HydrophobicContact CE2-CG 3.74Å; F514-M571 HydrophobicContact CE2-SD 4.4Å; F514-M571 HydrophobicContact CZ-CB 4.1Å; F514-M571 HydrophobicContact CZ-CE 4.39Å; F514-M571 HydrophobicContact CZ-CG 3.86Å; F514-S574 WeakPolarHBondContact CZ-OG 3.22Å
515	Y	70.2	Confident	70.2	Confident	100 Å²	100	47 Å²	47	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-69	-32.2	175.5	-63.8	-75.4	0	0	0	112.3	R511 S512 L518 V519	R511-Y515 VanDerWaalsContact O-CD2 3.31Å; R511-Y515 WeakPolarHBondContact O-CD2 3.49Å; S512-Y515 PolarHBondContact O-N 2.03Å; Y515-L518 PolarHBondContact O-N 3.35Å; Y515-V519 WeakPolarHBondContact O-CG2 3.44Å; Y515-V519 PolarHBondContact O-N 2.91Å
516	Y	73.1	Confident	70.5	Confident	84 Å²	84	43.7 Å²	43.7	33%	0.329	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-42.8	171.5	-179.1	-87.4	0	0	0	112.1	I485 S512 Y513 F514 V519 V520 L521	I485-Y516 HydrophobicContact CG2-CE1 3.9Å; I485-Y516 WeakPolarHBondContact CG2-OH 3.11Å; S512-Y516 PolarHBondContact O-N 3.28Å; Y513-Y516 PolarHBondContact O-N 3.4Å; F514-Y516 VanDerWaalsContact C-N 3.33Å; Y516-V519 PolarHBondContact O-N 3.43Å; Y516-V520 HydrophobicContact CD1-CB 4.35Å; Y516-V520 HydrophobicContact CD2-CB 4.39Å; Y516-V520 HydrophobicContact CD2-CG2 3.82Å; Y516-V520 HydrophobicContact CE1-CB 4.02Å; Y516-V520 HydrophobicContact CE1-CG1 4.2Å; Y516-V520 HydrophobicContact CE1-CG2 4.46Å; Y516-V520 HydrophobicContact CE2-CB 4.09Å; Y516-V520 HydrophobicContact CE2-CG1 4.28Å; Y516-V520 HydrophobicContact CE2-CG2 3.64Å; Y516-V520 HydrophobicContact CG-CG2 4.31Å; Y516-V520 WeakPolarHBondContact O-CB 3.38Å; Y516-V520 PolarHBondContact O-N 3.02Å; Y516-L521 HydrophobicContact CE1-CD1 4.39Å
517	D	69.8	Low	71.1	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.249	C	C	.	.	I	π-helix	trans	-60.6	-46.5	176.5	-163.9	17.8	0	0	0	110.7	R187 Y513 F514 V519 L521 V522 M567 M571	R187-D517 WeakPolarHBondContact CD-OD1 3.26Å; R187-D517 WeakPolarHBondContact CD-OD2 3.23Å; R187-D517 IonicContact CZ-OD2 3.98Å; R187-D517 IonicContact NE-OD2 2.77Å; R187-D517 IonicContact NH1-OD2 3.19Å; R187-D517 PolarHBondContact NH1-OD2 3.18Å; Y513-D517 PolarHBondContact O-N 3.3Å; F514-D517 PolarHBondContact O-N 3.1Å; D517-V519 PolarHBondContact O-N 3.28Å; D517-L521 HydrophobicContact CB-CD1 4.46Å; D517-L521 CarbonylContact O-C 3.58Å; D517-L521 WeakPolarHBondContact O-CA 3.2Å; D517-L521 WeakPolarHBondContact O-CB 3.48Å; D517-L521 PolarHBondContact O-N 2.89Å; D517-L521 WeakPolarHBondContact OD1-CB 3.21Å; D517-L521 VanDerWaalsContact OD1-CD1 3.26Å; D517-L521 WeakPolarHBondContact OD1-CD1 3.36Å; D517-V522 PolarHBondContact O-N 3.39Å; D517-M567 WeakPolarHBondContact OD2-CE 3.44Å; D517-M571 HydrophobicContact CB-CE 3.86Å
518	L	70.5	Confident	71.2	Confident	34 Å²	34	48.4 Å²	48.4	18%	0.178	25%	0.254	C	S	.	.	I	π-helix	trans	-57.5	-45.9	175.3	175	59.2	0	0	0	113.2	F514 Y515 T523 M571 I575	F514-L518 PolarHBondContact O-N 3.5Å; Y515-L518 PolarHBondContact O-N 3.35Å; L518-T523 HydrophobicContact CD1-CG2 4.42Å; L518-T523 PolarHBondContact O-N 3.38Å; L518-T523 PolarHBondContact O-OG1 3.26Å; L518-M571 VanDerWaalsContact CA-SD 3.54Å; L518-M571 HydrophobicContact CB-CE 3.88Å; L518-M571 HydrophobicContact CB-SD 3.53Å; L518-M571 VanDerWaalsContact CB-SD 3.53Å; L518-M571 HydrophobicContact CD1-CB 4.12Å; L518-M571 HydrophobicContact CD1-CG 4.44Å; L518-M571 HydrophobicContact CD1-SD 3.5Å; L518-M571 VanDerWaalsContact CD1-SD 3.5Å; L518-M571 HydrophobicContact CG-SD 4.05Å; L518-I575 HydrophobicContact CD2-CD1 4.28Å
519	V	76.4	Confident	71.3	Confident	74 Å²	74	43 Å²	43	45%	0.448	22%	0.221	S	C	.	.	I	π-helix	trans	-80.3	-53.5	-174.9	177.3	0	0	0	0	111.8	Y515 Y516 D517 T523 M524	Y515-V519 WeakPolarHBondContact O-CG2 3.44Å; Y515-V519 PolarHBondContact O-N 2.91Å; Y516-V519 PolarHBondContact O-N 3.43Å; D517-V519 PolarHBondContact O-N 3.28Å; V519-T523 VanDerWaalsContact CA-OG1 3.29Å; V519-T523 WeakPolarHBondContact CA-OG1 3.19Å; V519-T523 PolarHBondContact O-OG1 3.42Å; V519-M524 WeakPolarHBondContact O-CB 3.08Å; V519-M524 VanDerWaalsContact O-CG 3.25Å; V519-M524 WeakPolarHBondContact O-CG 3.44Å; V519-M524 PolarHBondContact O-N 3.04Å
520	V	73.4	Confident	71.7	Confident	43 Å²	43	41.3 Å²	41.3	26%	0.261	21%	0.213	S	C	.	.	I	π-helix	trans	-89.8	-24.6	-166.9	-176.3	0	0	0	0	112.7	Y516 P525	Y516-V520 HydrophobicContact CD1-CB 4.35Å; Y516-V520 HydrophobicContact CD2-CB 4.39Å; Y516-V520 HydrophobicContact CD2-CG2 3.82Å; Y516-V520 HydrophobicContact CE1-CB 4.02Å; Y516-V520 HydrophobicContact CE1-CG1 4.2Å; Y516-V520 HydrophobicContact CE1-CG2 4.46Å; Y516-V520 HydrophobicContact CE2-CB 4.09Å; Y516-V520 HydrophobicContact CE2-CG1 4.28Å; Y516-V520 HydrophobicContact CE2-CG2 3.64Å; Y516-V520 HydrophobicContact CG-CG2 4.31Å; Y516-V520 WeakPolarHBondContact O-CB 3.38Å; Y516-V520 PolarHBondContact O-N 3.02Å; V520-P525 VanDerWaalsContact O-CD 3.31Å; V520-P525 WeakPolarHBondContact O-CD 3.19Å
521	L	68.7	Low	72	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-113.6	-28.3	-173.6	-56.9	172.2	0	0	0	113.2	L184 T188 I191 Y192 Y516 D517 P525	L184-L521 HydrophobicContact CD1-CD1 4.5Å; T188-L521 HydrophobicContact CG2-CD1 3.32Å; T188-L521 HydrophobicContact CG2-CD2 3.76Å; T188-L521 HydrophobicContact CG2-CG 4.19Å; I191-L521 HydrophobicContact CD1-CB 4.46Å; Y192-L521 HydrophobicContact CE2-CD2 3.81Å; Y192-L521 WeakPolarHBondContact OH-CD2 3.39Å; Y516-L521 HydrophobicContact CE1-CD1 4.39Å; D517-L521 HydrophobicContact CB-CD1 4.46Å; D517-L521 CarbonylContact O-C 3.58Å; D517-L521 WeakPolarHBondContact O-CA 3.2Å; D517-L521 WeakPolarHBondContact O-CB 3.48Å; D517-L521 PolarHBondContact O-N 2.89Å; D517-L521 WeakPolarHBondContact OD1-CB 3.21Å; D517-L521 VanDerWaalsContact OD1-CD1 3.26Å; D517-L521 WeakPolarHBondContact OD1-CD1 3.36Å; L521-P525 VanDerWaalsContact O-CG 3.28Å; L521-P525 WeakPolarHBondContact O-CG 3.31Å
522	V	69.9	Low	72.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-96.2	-66.4	174.3	-172	0	0	0	0	111.9	D517 T526 M567 F568 M571	D517-V522 PolarHBondContact O-N 3.39Å; V522-T526 VanDerWaalsContact O-CB 3.29Å; V522-T526 WeakPolarHBondContact O-CB 3.25Å; V522-T526 PolarHBondContact O-N 3.32Å; V522-T526 VanDerWaalsContact O-N 3.17Å; V522-T526 PolarHBondContact O-OG1 3.17Å; V522-M567 HydrophobicContact CG2-CE 3.57Å; V522-M567 HydrophobicContact CG2-CG 4.15Å; V522-M567 HydrophobicContact CG2-SD 3.56Å; V522-M567 VanDerWaalsContact CG2-SD 3.56Å; V522-F568 HydrophobicContact CG1-CD1 4.21Å; V522-F568 HydrophobicContact CG1-CD2 3.87Å; V522-F568 HydrophobicContact CG1-CE1 3.96Å; V522-F568 HydrophobicContact CG1-CE2 3.59Å; V522-F568 HydrophobicContact CG1-CG 4.17Å; V522-F568 HydrophobicContact CG1-CZ 3.65Å; V522-M571 HydrophobicContact CB-SD 4.5Å; V522-M571 HydrophobicContact CG2-CE 4.24Å; V522-M571 HydrophobicContact CG2-SD 3.85Å
523	T	75	Confident	71.9	Confident	37 Å²	37	42.2 Å²	42.2	23%	0.227	22%	0.216	C	C	.	.	I	π-helix	trans	-69.1	-49.6	-172	48.1	0	0	0	0	113.1	L518 V519 T526 I527 F568	L518-T523 HydrophobicContact CD1-CG2 4.42Å; L518-T523 PolarHBondContact O-N 3.38Å; L518-T523 PolarHBondContact O-OG1 3.26Å; V519-T523 VanDerWaalsContact CA-OG1 3.29Å; V519-T523 WeakPolarHBondContact CA-OG1 3.19Å; V519-T523 PolarHBondContact O-OG1 3.42Å; T523-T526 WeakPolarHBondContact O-CA 3.25Å; T523-T526 PolarHBondContact O-N 3.19Å; T523-I527 WeakPolarHBondContact O-CG1 3.33Å; T523-I527 PolarHBondContact O-N 3.37Å; T523-F568 HydrophobicContact CG2-CE1 3.57Å; T523-F568 HydrophobicContact CG2-CZ 3.91Å
524	M	79.6	Confident	71.8	Confident	108 Å²	108	47.5 Å²	47.5	53%	0.532	24%	0.237	S	C	.	.	H	α-helix	trans	-57.9	-48.3	-179	-82.2	-74.5	176.6	0	0	113.6	V519 T526 S528	V519-M524 WeakPolarHBondContact O-CB 3.08Å; V519-M524 VanDerWaalsContact O-CG 3.25Å; V519-M524 WeakPolarHBondContact O-CG 3.44Å; V519-M524 PolarHBondContact O-N 3.04Å; M524-T526 VanDerWaalsContact C-N 3.29Å; M524-T526 PolarHBondContact O-N 2.69Å; M524-S528 VanDerWaalsContact O-CB 3.3Å; M524-S528 WeakPolarHBondContact O-CB 3.16Å; M524-S528 PolarHBondContact O-N 3.42Å; M524-S528 PolarHBondContact O-OG 2.81Å
525	P	71.5	Confident	71.8	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-32.5	171.8	-31	42.1	0	0	0	113.8	I191 V195 V520 L521 L529 F560	I191-P525 HydrophobicContact CG2-CB 3.79Å; I191-P525 HydrophobicContact CG2-CG 3.84Å; V195-P525 HydrophobicContact CG2-CB 3.93Å; V520-P525 VanDerWaalsContact O-CD 3.31Å; V520-P525 WeakPolarHBondContact O-CD 3.19Å; L521-P525 VanDerWaalsContact O-CG 3.28Å; L521-P525 WeakPolarHBondContact O-CG 3.31Å; P525-L529 WeakPolarHBondContact O-CB 3.47Å; P525-L529 PolarHBondContact O-N 2.72Å; P525-F560 HydrophobicContact CB-CZ 4.45Å
526	T	72.7	Confident	71.2	Confident	16 Å²	16	52.2 Å²	52.2	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-72	-47.4	179.7	-56.2	0	0	0	0	112.2	V522 T523 M524 S528 L529 I530 F560 N564 F568	V522-T526 VanDerWaalsContact O-CB 3.29Å; V522-T526 WeakPolarHBondContact O-CB 3.25Å; V522-T526 PolarHBondContact O-N 3.32Å; V522-T526 VanDerWaalsContact O-N 3.17Å; V522-T526 PolarHBondContact O-OG1 3.17Å; T523-T526 WeakPolarHBondContact O-CA 3.25Å; T523-T526 PolarHBondContact O-N 3.19Å; M524-T526 VanDerWaalsContact C-N 3.29Å; M524-T526 PolarHBondContact O-N 2.69Å; T526-S528 VanDerWaalsContact C-N 3.3Å; T526-S528 PolarHBondContact O-N 3Å; T526-L529 PolarHBondContact O-N 2.7Å; T526-I530 HydrophobicContact CG2-CD1 4.13Å; T526-I530 WeakPolarHBondContact O-CG1 3.01Å; T526-I530 PolarHBondContact O-N 3.2Å; T526-F560 HydrophobicContact CG2-CE1 4.11Å; T526-N564 PolarHBondContact OG1-ND2 2.81Å; T526-F568 HydrophobicContact CG2-CE2 4.07Å; T526-F568 HydrophobicContact CG2-CZ 4.32Å
527	I	79.4	Confident	70.5	Confident	91 Å²	91	51 Å²	51	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-44.9	173.3	-66.8	164.3	0	0	0	109.9	T523 L529 I530 I531	T523-I527 WeakPolarHBondContact O-CG1 3.33Å; T523-I527 PolarHBondContact O-N 3.37Å; I527-L529 PolarHBondContact O-N 2.85Å; I527-I530 PolarHBondContact O-N 3.25Å; I527-I531 HydrophobicContact CG2-CD1 3.78Å; I527-I531 VanDerWaalsContact O-CG1 3.31Å; I527-I531 WeakPolarHBondContact O-CG1 3.21Å; I527-I531 PolarHBondContact O-N 3.02Å
528	S	73.3	Confident	69.6	Low	40 Å²	40	55.9 Å²	55.9	28%	0.28	29%	0.292	S	S	.	.	H	α-helix	trans	-55.2	-51.5	174.5	-61.1	0	0	0	0	111.4	Y199 M524 T526 I530 I531 A532	Y199-S528 VanDerWaalsContact OH-C 3.27Å; Y199-S528 WeakPolarHBondContact OH-CB 2.98Å; Y199-S528 PolarHBondContact OH-O 2.75Å; M524-S528 VanDerWaalsContact O-CB 3.3Å; M524-S528 WeakPolarHBondContact O-CB 3.16Å; M524-S528 PolarHBondContact O-N 3.42Å; M524-S528 PolarHBondContact O-OG 2.81Å; T526-S528 VanDerWaalsContact C-N 3.3Å; T526-S528 PolarHBondContact O-N 3Å; S528-I530 PolarHBondContact O-N 3.4Å; S528-I531 PolarHBondContact O-N 3Å; S528-I531 VanDerWaalsContact O-N 3.16Å; S528-A532 WeakPolarHBondContact O-CB 3.42Å; S528-A532 PolarHBondContact O-N 3.48Å
529	L	69.4	Low	68.7	Low	1 Å²	1	57 Å²	57	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-32.4	-178.5	-96.6	147.3	0	0	0	114.2	L194 V195 V198 P525 T526 I527 F533 F560	L194-L529 HydrophobicContact CD2-CD1 3.74Å; V195-L529 HydrophobicContact CG2-CD1 3.97Å; V198-L529 HydrophobicContact CB-CD2 3.81Å; V198-L529 HydrophobicContact CG1-CD2 3.66Å; V198-L529 HydrophobicContact CG2-CD2 3.76Å; P525-L529 WeakPolarHBondContact O-CB 3.47Å; P525-L529 PolarHBondContact O-N 2.72Å; T526-L529 PolarHBondContact O-N 2.7Å; I527-L529 PolarHBondContact O-N 2.85Å; L529-F533 WeakPolarHBondContact O-CB 3.4Å; L529-F533 PolarHBondContact O-N 3.23Å; L529-F560 HydrophobicContact CB-CD1 3.93Å; L529-F560 HydrophobicContact CB-CE1 3.65Å; L529-F560 HydrophobicContact CB-CZ 4.25Å; L529-F560 HydrophobicContact CD1-CD1 3.69Å; L529-F560 HydrophobicContact CD1-CD2 3.67Å; L529-F560 HydrophobicContact CD1-CE1 3.55Å; L529-F560 HydrophobicContact CD1-CE2 3.5Å; L529-F560 VanDerWaalsContact CD1-CE2 3.5Å; L529-F560 HydrophobicContact CD1-CG 3.73Å; L529-F560 HydrophobicContact CD1-CZ 3.43Å; L529-F560 VanDerWaalsContact CD1-CZ 3.43Å; L529-F560 HydrophobicContact CG-CD1 4.23Å; L529-F560 HydrophobicContact CG-CE1 4.15Å; L529-F560 HydrophobicContact CG-CZ 4.42Å
530	I	74.2	Confident	67.1	Low	79 Å²	79	61.5 Å²	61.5	41%	0.405	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-47.4	170.5	-66.4	162.5	0	0	0	110.4	T526 I527 S528 A532 F533 Y534 Y557	T526-I530 HydrophobicContact CG2-CD1 4.13Å; T526-I530 WeakPolarHBondContact O-CG1 3.01Å; T526-I530 PolarHBondContact O-N 3.2Å; I527-I530 PolarHBondContact O-N 3.25Å; S528-I530 PolarHBondContact O-N 3.4Å; I530-A532 PolarHBondContact O-N 2.93Å; I530-F533 PolarHBondContact O-N 3.17Å; I530-Y534 WeakPolarHBondContact O-CB 3.4Å; I530-Y534 PolarHBondContact O-N 3.39Å; I530-Y557 HydrophobicContact CG1-CE2 4.26Å
531	I	74.4	Confident	65.8	Low	80 Å²	80	67.9 Å²	67.9	41%	0.41	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-42.9	177	-67.6	167.2	0	0	0	111	I527 S528 F533 Y534 Y535	I527-I531 HydrophobicContact CG2-CD1 3.78Å; I527-I531 VanDerWaalsContact O-CG1 3.31Å; I527-I531 WeakPolarHBondContact O-CG1 3.21Å; I527-I531 PolarHBondContact O-N 3.02Å; S528-I531 PolarHBondContact O-N 3Å; S528-I531 VanDerWaalsContact O-N 3.16Å; I531-F533 VanDerWaalsContact C-N 3.31Å; I531-F533 PolarHBondContact O-N 3.3Å; I531-Y534 PolarHBondContact O-N 2.88Å; I531-Y535 HydrophobicContact CG2-CD2 3.64Å; I531-Y535 HydrophobicContact CG2-CE2 3.66Å; I531-Y535 WeakPolarHBondContact O-CD2 3.5Å; I531-Y535 PolarHBondContact O-N 3.13Å
532	A	66.5	Low	64.7	Low	16 Å²	16	73.9 Å²	73.9	13%	0.132	37%	0.369	C	S	.	.	H	α-helix	trans	-58.5	-44.8	176.1	0	0	0	0	0	111.7	Y199 S528 I530 S536	Y199-A532 HydrophobicContact CD1-CB 4.49Å; Y199-A532 HydrophobicContact CD2-CB 4.5Å; Y199-A532 HydrophobicContact CE1-CB 3.8Å; Y199-A532 HydrophobicContact CE2-CB 3.82Å; Y199-A532 VanDerWaalsContact CZ-CB 3.48Å; S528-A532 WeakPolarHBondContact O-CB 3.42Å; S528-A532 PolarHBondContact O-N 3.48Å; I530-A532 PolarHBondContact O-N 2.93Å; A532-S536 VanDerWaalsContact O-CB 3.24Å; A532-S536 WeakPolarHBondContact O-CB 3.18Å; A532-S536 PolarHBondContact O-N 3.15Å
533	F	66.9	Low	63.2	Low	18 Å²	18	78.6 Å²	78.6	8%	0.079	39%	0.393	C	S	.	.	H	α-helix	trans	-67.1	-45.8	-179.4	-168	-104.9	0	0	0	111.3	L529 I530 I531 S536 S537 L553 R554 Y557 T638	L529-F533 WeakPolarHBondContact O-CB 3.4Å; L529-F533 PolarHBondContact O-N 3.23Å; I530-F533 PolarHBondContact O-N 3.17Å; I531-F533 VanDerWaalsContact C-N 3.31Å; I531-F533 PolarHBondContact O-N 3.3Å; F533-S536 CarbonylContact O-C 3.54Å; F533-S536 PolarHBondContact O-N 2.7Å; F533-S536 VanDerWaalsContact O-N 3.16Å; F533-S537 PolarHBondContact O-N 3.4Å; F533-S537 PolarHBondContact O-OG 2.97Å; F533-L553 HydrophobicContact CD2-CD2 4.46Å; F533-R554 HydrophobicContact CE2-CB 4.39Å; F533-R554 HydrophobicContact CE2-CG 3.73Å; F533-R554 HydrophobicContact CZ-CG 3.9Å; F533-Y557 HydrophobicContact CB-CD2 3.65Å; F533-Y557 HydrophobicContact CB-CE1 4.48Å; F533-Y557 HydrophobicContact CB-CE2 3.59Å; F533-Y557 HydrophobicContact CB-CG 4.13Å; F533-Y557 AromaticContact CD1-CD1 3.89Å; F533-Y557 HydrophobicContact CD1-CD1 3.89Å; F533-Y557 HydrophobicContact CD1-CD2 4.48Å; F533-Y557 AromaticContact CD1-CE1 3.66Å; F533-Y557 HydrophobicContact CD1-CE1 3.66Å; F533-Y557 HydrophobicContact CD1-CE2 4.29Å; F533-Y557 HydrophobicContact CD1-CG 4.28Å; F533-Y557 AromaticContact CD1-CZ 3.86Å; F533-Y557 AromaticContact CD2-CD1 3.86Å; F533-Y557 HydrophobicContact CD2-CD1 3.86Å; F533-Y557 AromaticContact CD2-CD2 3.98Å; F533-Y557 HydrophobicContact CD2-CD2 3.98Å; F533-Y557 HydrophobicContact CD2-CE1 4.43Å; F533-Y557 AromaticContact CD2-CG 3.59Å; F533-Y557 HydrophobicContact CD2-CG 3.59Å; F533-Y557 HydrophobicContact CE1-CD1 4.01Å; F533-Y557 AromaticContact CE1-CE1 3.95Å; F533-Y557 HydrophobicContact CE1-CE1 3.95Å; F533-Y557 AromaticContact CE2-CD1 4Å; F533-Y557 HydrophobicContact CE2-CD1 4Å; F533-Y557 HydrophobicContact CE2-CG 4.06Å; F533-Y557 AromaticContact CG-CD1 3.81Å; F533-Y557 HydrophobicContact CG-CD1 3.81Å; F533-Y557 AromaticContact CG-CD2 3.78Å; F533-Y557 HydrophobicContact CG-CD2 3.78Å; F533-Y557 AromaticContact CG-CE1 3.92Å; F533-Y557 HydrophobicContact CG-CE1 3.92Å; F533-Y557 AromaticContact CG-CE2 3.9Å; F533-Y557 HydrophobicContact CG-CE2 3.9Å; F533-Y557 AromaticContact CG-CG 3.72Å; F533-Y557 HydrophobicContact CG-CG 3.72Å; F533-Y557 AromaticContact CG-CZ 3.95Å; F533-Y557 HydrophobicContact CZ-CD1 4.06Å; F533-Y557 HydrophobicContact CZ-CE1 4.47Å; F533-T638 VanDerWaalsContact CZ-O 3.31Å; F533-T638 WeakPolarHBondContact CZ-O 3.43Å
534	Y	67.1	Low	61.4	Low	144 Å²	144	83 Å²	83	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-59	-49.2	177.4	-171.7	-106.3	0	0	0	112.4	I530 I531 S536 S537 L538	I530-Y534 WeakPolarHBondContact O-CB 3.4Å; I530-Y534 PolarHBondContact O-N 3.39Å; I531-Y534 PolarHBondContact O-N 2.88Å; Y534-S536 VanDerWaalsContact C-N 3.34Å; Y534-S536 PolarHBondContact O-N 3.31Å; Y534-S537 WeakPolarHBondContact CA-OG 3.38Å; Y534-S537 PolarHBondContact O-N 2.87Å; Y534-S537 PolarHBondContact O-OG 3.31Å; Y534-L538 HydrophobicContact CD1-CD1 3.83Å; Y534-L538 HydrophobicContact CE1-CD1 3.45Å; Y534-L538 VanDerWaalsContact CE1-CD1 3.45Å; Y534-L538 HydrophobicContact CE2-CD1 4.22Å; Y534-L538 HydrophobicContact CG-CD1 4.36Å; Y534-L538 WeakPolarHBondContact O-CG 3.42Å; Y534-L538 PolarHBondContact O-N 3.4Å; Y534-L538 VanDerWaalsContact O-N 3.14Å
535	Y	64.9	Low	59.5	Low	162 Å²	162	79 Å²	79	64%	0.635	40%	0.402	S	S	*	.	H	α-helix	trans	-64.3	-37.3	174.1	-80.8	-63.7	0	0	0	112.5	I531 S537 L538 S539	I531-Y535 HydrophobicContact CG2-CD2 3.64Å; I531-Y535 HydrophobicContact CG2-CE2 3.66Å; I531-Y535 WeakPolarHBondContact O-CD2 3.5Å; I531-Y535 PolarHBondContact O-N 3.13Å; Y535-S537 VanDerWaalsContact C-N 3.34Å; Y535-S537 PolarHBondContact O-N 2.87Å; Y535-L538 PolarHBondContact O-N 3.45Å; Y535-S539 WeakPolarHBondContact O-CB 3.37Å; Y535-S539 PolarHBondContact O-N 3.37Å
536	S	59.4	Low	58.4	Low	58 Å²	58	85.3 Å²	85.3	41%	0.406	43%	0.431	S	S	.	.	H	α-helix	trans	-72	-24.5	177.3	-166.9	0	0	0	0	113.7	A532 F533 Y534 L553	A532-S536 VanDerWaalsContact O-CB 3.24Å; A532-S536 WeakPolarHBondContact O-CB 3.18Å; A532-S536 PolarHBondContact O-N 3.15Å; F533-S536 CarbonylContact O-C 3.54Å; F533-S536 PolarHBondContact O-N 2.7Å; F533-S536 VanDerWaalsContact O-N 3.16Å; Y534-S536 VanDerWaalsContact C-N 3.34Å; Y534-S536 PolarHBondContact O-N 3.31Å; S536-L553 WeakPolarHBondContact OG-CD2 3.47Å
537	S	58.6	Low	57.4	Low	58 Å²	58	90.5 Å²	90.5	41%	0.406	46%	0.457	S	S	.	.	H	α-helix	trans	-77.8	-29.1	171.9	52.6	0	0	0	0	112.9	F533 Y534 Y535	F533-S537 PolarHBondContact O-N 3.4Å; F533-S537 PolarHBondContact O-OG 2.97Å; Y534-S537 WeakPolarHBondContact CA-OG 3.38Å; Y534-S537 PolarHBondContact O-N 2.87Å; Y534-S537 PolarHBondContact O-OG 3.31Å; Y535-S537 VanDerWaalsContact C-N 3.34Å; Y535-S537 PolarHBondContact O-N 2.87Å
538	L	50.7	Low	56	Low	106 Å²	106	88.4 Å²	88.4	56%	0.555	45%	0.445	S	S	*	.	H	α-helix	trans	-88.4	-14	178.5	-66.3	170.7	0	0	0	113.7	Y534 Y535 K540	Y534-L538 HydrophobicContact CD1-CD1 3.83Å; Y534-L538 HydrophobicContact CE1-CD1 3.45Å; Y534-L538 VanDerWaalsContact CE1-CD1 3.45Å; Y534-L538 HydrophobicContact CE2-CD1 4.22Å; Y534-L538 HydrophobicContact CG-CD1 4.36Å; Y534-L538 WeakPolarHBondContact O-CG 3.42Å; Y534-L538 PolarHBondContact O-N 3.4Å; Y534-L538 VanDerWaalsContact O-N 3.14Å; Y535-L538 PolarHBondContact O-N 3.45Å; L538-K540 PolarHBondContact O-N 3.03Å
539	S	51.6	Low	55	Low	58 Å²	58	90.2 Å²	90.2	41%	0.406	45%	0.45	S	S	.	.			trans	-73.7	89.1	-174.7	-178.1	0	0	0	0	113.1	Y535 K541	Y535-S539 WeakPolarHBondContact O-CB 3.37Å; Y535-S539 PolarHBondContact O-N 3.37Å; S539-K541 PolarHBondContact O-N 2.64Å; S539-K541 PolarHBondContact OG-O 3.07Å; S539-K541 VanDerWaalsContact OG-O 3.11Å
540	K	42.5	Very low	54.3	Low	169 Å²	169	92.5 Å²	92.5	74%	0.735	46%	0.464	S	S	*	.	S	Bend	trans	-50.7	-26.2	170.5	-80	-159	174.2	-163	0	113.3	L538 Q542	L538-K540 PolarHBondContact O-N 3.03Å; K540-Q542 PolarHBondContact O-N 3.27Å
541	K	45.1	Very low	53.3	Low	177 Å²	177	89.7 Å²	89.7	77%	0.77	45%	0.448	S	S	*	.	S	Bend	trans	-88.6	93.2	173.8	-70.9	-169.7	175.6	-173.9	0	111.2	S539 I543	S539-K541 PolarHBondContact O-N 2.64Å; S539-K541 PolarHBondContact OG-O 3.07Å; S539-K541 VanDerWaalsContact OG-O 3.11Å; K541-I543 PolarHBondContact O-N 3.17Å
542	Q	46.2	Very low	52.4	Low	125 Å²	125	90.2 Å²	90.2	58%	0.584	45%	0.445	S	S	*	.			trans	-66.7	109	167.8	-70.5	179.9	-7.4	0	0	109.8	K540 N544	K540-Q542 PolarHBondContact O-N 3.27Å; Q542-N544 VanDerWaalsContact C-N 3.33Å; Q542-N544 PolarHBondContact O-N 3.34Å
543	I	39.1	Very low	52	Low	100 Å²	100	91.2 Å²	91.2	51%	0.513	45%	0.448	S	S	.	.			trans	-79	84.5	178.9	-54.6	-179.3	0	0	0	109.2	T201 K541	T201-I543 HydrophobicContact CG2-CG2 4.11Å; K541-I543 PolarHBondContact O-N 3.17Å
544	N	35.7	Very low	51.6	Low	128 Å²	128	92.9 Å²	92.9	68%	0.684	45%	0.454	S	S	*	.	S	Bend	trans	54.7	71.8	171.2	-60.7	-15.3	0	0	0	114.9	Q542	Q542-N544 VanDerWaalsContact C-N 3.33Å; Q542-N544 PolarHBondContact O-N 3.34Å
545	G	40.2	Very low	51.2	Low	25 Å²	25	86.8 Å²	86.8	26%	0.258	43%	0.432	S	S	.	.			trans	-178.1	135.7	165.5	0	0	0	0	0	112.4
546	E	48.9	Very low	51	Low	141 Å²	141	80.3 Å²	80.3	66%	0.659	41%	0.406	S	S	*	.			trans	-66.9	-175.5	179.9	-54.6	127	131.8	0	0	112.3	K548 M549	E546-K548 PolarHBondContact O-N 3.48Å; E546-M549 WeakPolarHBondContact O-CB 3.47Å; E546-M549 PolarHBondContact O-N 3.15Å
547	L	51.8	Low	51.3	Low	125 Å²	125	79.4 Å²	79.4	65%	0.654	39%	0.394	S	S	*	.	H	α-helix	trans	-40.2	-41.5	175.9	-150.7	81.9	0	0	0	113.4	M549 T550 Y551	L547-M549 VanDerWaalsContact C-N 3.31Å; L547-M549 PolarHBondContact O-N 3.27Å; L547-T550 WeakPolarHBondContact O-CB 3.29Å; L547-T550 PolarHBondContact O-N 3.33Å; L547-Y551 PolarHBondContact O-N 3.46Å
548	K	50	Low	51.5	Low	46 Å²	46	78.4 Å²	78.4	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-51.9	-35.1	174.1	-164	179.6	-138.4	140.7	0	115.5	E546 R552 D621	E546-K548 PolarHBondContact O-N 3.48Å; K548-R552 WeakPolarHBondContact O-CB 3.32Å; K548-R552 VanDerWaalsContact O-CG 3.31Å; K548-R552 WeakPolarHBondContact O-CG 3.41Å; K548-R552 PolarHBondContact O-N 3.03Å; K548-D621 IonicContact NZ-OD2 2.74Å; K548-D621 PolarHBondContact NZ-OD2 3.16Å
549	M	51.5	Low	52.1	Low	79 Å²	79	75 Å²	75	39%	0.389	37%	0.37	S	S	.	.	H	α-helix	trans	-71.6	-45.6	177.7	-169.7	71.1	165.3	0	0	110.5	E546 L547 R552 L553	E546-M549 WeakPolarHBondContact O-CB 3.47Å; E546-M549 PolarHBondContact O-N 3.15Å; L547-M549 VanDerWaalsContact C-N 3.31Å; L547-M549 PolarHBondContact O-N 3.27Å; M549-R552 PolarHBondContact O-N 2.68Å; M549-L553 PolarHBondContact O-N 3.48Å
550	T	54.4	Low	52.7	Low	48 Å²	48	72.4 Å²	72.4	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-43.8	173.7	-51.2	0	0	0	0	111	L547 L553 R554	L547-T550 WeakPolarHBondContact O-CB 3.29Å; L547-T550 PolarHBondContact O-N 3.33Å; T550-L553 PolarHBondContact O-N 2.03Å; T550-R554 WeakPolarHBondContact O-CB 3.27Å; T550-R554 WeakPolarHBondContact O-CG 3.44Å; T550-R554 PolarHBondContact O-N 2.85Å
551	Y	54.6	Low	53.9	Low	20 Å²	20	66.9 Å²	66.9	8%	0.078	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-46.1	176.8	-165.1	-98.2	0	0	0	112.1	L547 L553 R554 C555 I617 L624 I634	L547-Y551 PolarHBondContact O-N 3.46Å; Y551-L553 PolarHBondContact O-N 3.33Å; Y551-R554 WeakPolarHBondContact O-CB 3.27Å; Y551-R554 PolarHBondContact O-N 3.46Å; Y551-C555 PolarHBondContact O-N 3.16Å; Y551-C555 PolarHBondContact O-SG 2.98Å; Y551-C555 VanDerWaalsContact O-SG 3.38Å; Y551-I617 HydrophobicContact CD1-CG2 4.22Å; Y551-I617 HydrophobicContact CE1-CG2 4.08Å; Y551-L624 HydrophobicContact CD1-CD1 4.37Å; Y551-L624 HydrophobicContact CE1-CD1 4.39Å; Y551-L624 HydrophobicContact CE1-CD2 3.91Å; Y551-L624 HydrophobicContact CE2-CD2 3.92Å; Y551-L624 HydrophobicContact CG-CD1 4.49Å; Y551-L624 VanDerWaalsContact CZ-CD2 3.49Å; Y551-L624 WeakPolarHBondContact OH-CD2 3.28Å; Y551-I634 HydrophobicContact CD2-CG2 4.3Å; Y551-I634 HydrophobicContact CE2-CB 4.11Å; Y551-I634 HydrophobicContact CE2-CG2 3.57Å; Y551-I634 WeakPolarHBondContact OH-CD1 3.46Å
552	R	54.5	Low	54.9	Low	92 Å²	92	63.2 Å²	63.2	35%	0.347	32%	0.317	S	S	.	.	H	α-helix	trans	-57.9	-48.9	172.9	-78.3	170.4	173.5	170.1	-0.9	112.1	K548 M549 R554 C555 Y556 C618	K548-R552 WeakPolarHBondContact O-CB 3.32Å; K548-R552 VanDerWaalsContact O-CG 3.31Å; K548-R552 WeakPolarHBondContact O-CG 3.41Å; K548-R552 PolarHBondContact O-N 3.03Å; M549-R552 PolarHBondContact O-N 2.68Å; R552-R554 VanDerWaalsContact C-N 3.29Å; R552-R554 PolarHBondContact O-N 3.04Å; R552-C555 PolarHBondContact O-N 2.65Å; R552-Y556 HydrophobicContact CB-CE2 4.33Å; R552-Y556 WeakPolarHBondContact O-CD2 3.34Å; R552-Y556 PolarHBondContact O-N 3.25Å; R552-C618 VanDerWaalsContact CZ-SG 3.53Å; R552-C618 PolarHBondContact NE-SG 3.3Å; R552-C618 PolarHBondContact NH2-SG 2.85Å
553	L	58	Low	55.8	Low	36 Å²	36	57.9 Å²	57.9	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-40.3	-179.2	-158.6	100.9	0	0	0	111.9	V198 F533 S536 M549 T550 Y551 Y556 Y557	V198-L553 HydrophobicContact CG1-CD1 3.89Å; V198-L553 HydrophobicContact CG1-CG 4.2Å; F533-L553 HydrophobicContact CD2-CD2 4.46Å; S536-L553 WeakPolarHBondContact OG-CD2 3.47Å; M549-L553 PolarHBondContact O-N 3.48Å; T550-L553 PolarHBondContact O-N 2.03Å; Y551-L553 PolarHBondContact O-N 3.33Å; L553-Y556 PolarHBondContact O-N 3.09Å; L553-Y557 PolarHBondContact O-N 2.97Å
554	R	59.9	Low	57.2	Low	53 Å²	53	53.5 Å²	53.5	20%	0.2	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-44.7	173.4	-76.7	172	168.4	-134.5	10.5	112.6	F533 T550 Y551 R552 Y557 V558 T638	F533-R554 HydrophobicContact CE2-CB 4.39Å; F533-R554 HydrophobicContact CE2-CG 3.73Å; F533-R554 HydrophobicContact CZ-CG 3.9Å; T550-R554 WeakPolarHBondContact O-CB 3.27Å; T550-R554 WeakPolarHBondContact O-CG 3.44Å; T550-R554 PolarHBondContact O-N 2.85Å; Y551-R554 WeakPolarHBondContact O-CB 3.27Å; Y551-R554 PolarHBondContact O-N 3.46Å; R552-R554 VanDerWaalsContact C-N 3.29Å; R552-R554 PolarHBondContact O-N 3.04Å; R554-Y557 PolarHBondContact O-N 2.8Å; R554-V558 PolarHBondContact O-N 3.09Å; R554-T638 HydrophobicContact CB-CG2 3.68Å; R554-T638 WeakPolarHBondContact CD-OG1 3.39Å; R554-T638 HydrophobicContact CG-CG2 4.26Å; R554-T638 PolarHBondContact NH1-OG1 2.78Å
555	C	57.1	Low	59	Low	16 Å²	16	51.5 Å²	51.5	11%	0.108	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-44	172.6	-66.4	0	0	0	0	112.1	Y551 R552 Y557 V558 T559 I617	Y551-C555 PolarHBondContact O-N 3.16Å; Y551-C555 PolarHBondContact O-SG 2.98Å; Y551-C555 VanDerWaalsContact O-SG 3.38Å; R552-C555 PolarHBondContact O-N 2.65Å; C555-Y557 VanDerWaalsContact C-N 3.28Å; C555-Y557 PolarHBondContact O-N 3.17Å; C555-V558 PolarHBondContact O-N 3.33Å; C555-T559 VanDerWaalsContact O-CB 3.31Å; C555-T559 WeakPolarHBondContact O-CB 3.49Å; C555-T559 PolarHBondContact O-N 3.46Å; C555-T559 PolarHBondContact O-OG1 2.89Å; C555-I617 HydrophobicContact CB-CG2 4.11Å
556	Y	60.8	Low	60.4	Low	26 Å²	26	51.1 Å²	51.1	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-40	175.1	-77.6	-69.1	0	0	0	112.3	W197 V198 R552 L553 F560 Y610	W197-Y556 HydrophobicContact CE3-CE1 4.43Å; W197-Y556 HydrophobicContact CE3-CE2 4.2Å; W197-Y556 AromaticContact CE3-CZ 3.78Å; W197-Y556 WeakPolarHBondContact CZ3-OH 3.21Å; V198-Y556 HydrophobicContact CG2-CG 4.2Å; R552-Y556 HydrophobicContact CB-CE2 4.33Å; R552-Y556 WeakPolarHBondContact O-CD2 3.34Å; R552-Y556 PolarHBondContact O-N 3.25Å; L553-Y556 PolarHBondContact O-N 3.09Å; Y556-F560 WeakPolarHBondContact O-CB 3.46Å; Y556-F560 PolarHBondContact O-N 2.8Å; Y556-Y610 HydrophobicContact CD1-CE1 4.11Å; Y556-Y610 WeakPolarHBondContact CD1-OH 3.21Å; Y556-Y610 AromaticContact CE1-CE1 3.46Å; Y556-Y610 HydrophobicContact CE1-CE1 3.46Å; Y556-Y610 VanDerWaalsContact CE1-CE1 3.46Å; Y556-Y610 AromaticContact CE1-CZ 3.88Å
557	Y	65.4	Low	61.4	Low	39 Å²	39	44.6 Å²	44.6	15%	0.153	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-50.2	177.4	-179.2	-109	0	0	0	112.6	I530 F533 L553 R554 C555 F560 I561	I530-Y557 HydrophobicContact CG1-CE2 4.26Å; F533-Y557 HydrophobicContact CB-CD2 3.65Å; F533-Y557 HydrophobicContact CB-CE1 4.48Å; F533-Y557 HydrophobicContact CB-CE2 3.59Å; F533-Y557 HydrophobicContact CB-CG 4.13Å; F533-Y557 AromaticContact CD1-CD1 3.89Å; F533-Y557 HydrophobicContact CD1-CD1 3.89Å; F533-Y557 HydrophobicContact CD1-CD2 4.48Å; F533-Y557 AromaticContact CD1-CE1 3.66Å; F533-Y557 HydrophobicContact CD1-CE1 3.66Å; F533-Y557 HydrophobicContact CD1-CE2 4.29Å; F533-Y557 HydrophobicContact CD1-CG 4.28Å; F533-Y557 AromaticContact CD1-CZ 3.86Å; F533-Y557 AromaticContact CD2-CD1 3.86Å; F533-Y557 HydrophobicContact CD2-CD1 3.86Å; F533-Y557 AromaticContact CD2-CD2 3.98Å; F533-Y557 HydrophobicContact CD2-CD2 3.98Å; F533-Y557 HydrophobicContact CD2-CE1 4.43Å; F533-Y557 AromaticContact CD2-CG 3.59Å; F533-Y557 HydrophobicContact CD2-CG 3.59Å; F533-Y557 HydrophobicContact CE1-CD1 4.01Å; F533-Y557 AromaticContact CE1-CE1 3.95Å; F533-Y557 HydrophobicContact CE1-CE1 3.95Å; F533-Y557 AromaticContact CE2-CD1 4Å; F533-Y557 HydrophobicContact CE2-CD1 4Å; F533-Y557 HydrophobicContact CE2-CG 4.06Å; F533-Y557 AromaticContact CG-CD1 3.81Å; F533-Y557 HydrophobicContact CG-CD1 3.81Å; F533-Y557 AromaticContact CG-CD2 3.78Å; F533-Y557 HydrophobicContact CG-CD2 3.78Å; F533-Y557 AromaticContact CG-CE1 3.92Å; F533-Y557 HydrophobicContact CG-CE1 3.92Å; F533-Y557 AromaticContact CG-CE2 3.9Å; F533-Y557 HydrophobicContact CG-CE2 3.9Å; F533-Y557 AromaticContact CG-CG 3.72Å; F533-Y557 HydrophobicContact CG-CG 3.72Å; F533-Y557 AromaticContact CG-CZ 3.95Å; F533-Y557 HydrophobicContact CZ-CD1 4.06Å; F533-Y557 HydrophobicContact CZ-CE1 4.47Å; L553-Y557 PolarHBondContact O-N 2.97Å; R554-Y557 PolarHBondContact O-N 2.8Å; C555-Y557 VanDerWaalsContact C-N 3.28Å; C555-Y557 PolarHBondContact O-N 3.17Å; Y557-F560 PolarHBondContact O-N 3.23Å; Y557-I561 HydrophobicContact CD1-CD1 4.18Å; Y557-I561 HydrophobicContact CD2-CD1 4.46Å; Y557-I561 HydrophobicContact CE1-CD1 3.6Å; Y557-I561 HydrophobicContact CE2-CD1 3.91Å; Y557-I561 VanDerWaalsContact CZ-CD1 3.46Å; Y557-I561 PolarHBondContact O-N 3.32Å
558	V	64.2	Low	62.4	Low	37 Å²	37	41.4 Å²	41.4	22%	0.224	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-46.5	177.3	170.6	0	0	0	0	111.2	R554 C555 F560 I561 L562 F637 T638	R554-V558 PolarHBondContact O-N 3.09Å; C555-V558 PolarHBondContact O-N 3.33Å; V558-F560 VanDerWaalsContact C-N 3.31Å; V558-F560 PolarHBondContact O-N 2.91Å; V558-I561 PolarHBondContact O-N 3.24Å; V558-L562 HydrophobicContact CG1-CD1 3.82Å; V558-L562 HydrophobicContact CG1-CG 4.41Å; V558-L562 WeakPolarHBondContact O-CB 3.44Å; V558-L562 WeakPolarHBondContact O-CG 3.16Å; V558-L562 PolarHBondContact O-N 2.67Å; V558-F637 HydrophobicContact CG2-CB 4.43Å; V558-T638 HydrophobicContact CG2-CG2 3.52Å
559	T	62.2	Low	63.6	Low	35 Å²	35	42.5 Å²	42.5	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-43.6	175	-62.7	0	0	0	0	110.9	C555 L562 L563 Y610	C555-T559 VanDerWaalsContact O-CB 3.31Å; C555-T559 WeakPolarHBondContact O-CB 3.49Å; C555-T559 PolarHBondContact O-N 3.46Å; C555-T559 PolarHBondContact O-OG1 2.89Å; T559-L562 PolarHBondContact O-N 3.06Å; T559-L563 HydrophobicContact CG2-CD1 3.8Å; T559-L563 HydrophobicContact CG2-CG 4.15Å; T559-L563 WeakPolarHBondContact O-CB 3.41Å; T559-L563 WeakPolarHBondContact O-CG 3.44Å; T559-L563 PolarHBondContact O-N 2.9Å; T559-Y610 HydrophobicContact CG2-CE2 4.49Å
560	F	64.3	Low	64.6	Low	3 Å²	3	39 Å²	39	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-43.4	178.3	171.7	-99.6	0	0	0	113.6	L194 P525 T526 L529 Y556 Y557 V558 L563 N564	L194-F560 HydrophobicContact CD1-CB 4.21Å; L194-F560 HydrophobicContact CD1-CD2 3.98Å; L194-F560 HydrophobicContact CD2-CB 3.93Å; L194-F560 HydrophobicContact CD2-CD2 3.44Å; L194-F560 VanDerWaalsContact CD2-CD2 3.44Å; L194-F560 HydrophobicContact CD2-CE2 4.22Å; L194-F560 HydrophobicContact CD2-CG 3.91Å; L194-F560 HydrophobicContact CG-CD2 4.33Å; P525-F560 HydrophobicContact CB-CZ 4.45Å; T526-F560 HydrophobicContact CG2-CE1 4.11Å; L529-F560 HydrophobicContact CB-CD1 3.93Å; L529-F560 HydrophobicContact CB-CE1 3.65Å; L529-F560 HydrophobicContact CB-CZ 4.25Å; L529-F560 HydrophobicContact CD1-CD1 3.69Å; L529-F560 HydrophobicContact CD1-CD2 3.67Å; L529-F560 HydrophobicContact CD1-CE1 3.55Å; L529-F560 HydrophobicContact CD1-CE2 3.5Å; L529-F560 VanDerWaalsContact CD1-CE2 3.5Å; L529-F560 HydrophobicContact CD1-CG 3.73Å; L529-F560 HydrophobicContact CD1-CZ 3.43Å; L529-F560 VanDerWaalsContact CD1-CZ 3.43Å; L529-F560 HydrophobicContact CG-CD1 4.23Å; L529-F560 HydrophobicContact CG-CE1 4.15Å; L529-F560 HydrophobicContact CG-CZ 4.42Å; Y556-F560 WeakPolarHBondContact O-CB 3.46Å; Y556-F560 PolarHBondContact O-N 2.8Å; Y557-F560 PolarHBondContact O-N 3.23Å; V558-F560 VanDerWaalsContact C-N 3.31Å; V558-F560 PolarHBondContact O-N 2.91Å; F560-L563 PolarHBondContact O-N 2.84Å; F560-N564 VanDerWaalsContact CE2-ND2 3.3Å; F560-N564 WeakPolarHBondContact CE2-ND2 3.18Å; F560-N564 WeakPolarHBondContact CZ-ND2 3.33Å; F560-N564 PolarHBondContact O-N 3.3Å
561	I	67.7	Low	65.4	Low	53 Å²	53	36.8 Å²	36.8	27%	0.272	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-47.8	175.2	-74.3	177.9	0	0	0	110.5	Y557 V558 L563 N564 I565	Y557-I561 HydrophobicContact CD1-CD1 4.18Å; Y557-I561 HydrophobicContact CD2-CD1 4.46Å; Y557-I561 HydrophobicContact CE1-CD1 3.6Å; Y557-I561 HydrophobicContact CE2-CD1 3.91Å; Y557-I561 VanDerWaalsContact CZ-CD1 3.46Å; Y557-I561 PolarHBondContact O-N 3.32Å; V558-I561 PolarHBondContact O-N 3.24Å; I561-L563 VanDerWaalsContact C-N 3.28Å; I561-L563 PolarHBondContact O-N 3.43Å; I561-N564 PolarHBondContact O-N 3.29Å; I561-I565 HydrophobicContact CG2-CD1 3.53Å; I561-I565 HydrophobicContact CG2-CG1 4.14Å; I561-I565 WeakPolarHBondContact O-CG1 2.99Å; I561-I565 PolarHBondContact O-N 3.49Å
562	L	66.8	Low	66.4	Low	101 Å²	101	41.4 Å²	41.4	53%	0.529	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-30.2	177.9	-67.3	172.6	0	0	0	113.3	V558 T559 P566 N602	V558-L562 HydrophobicContact CG1-CD1 3.82Å; V558-L562 HydrophobicContact CG1-CG 4.41Å; V558-L562 WeakPolarHBondContact O-CB 3.44Å; V558-L562 WeakPolarHBondContact O-CG 3.16Å; V558-L562 PolarHBondContact O-N 2.67Å; T559-L562 PolarHBondContact O-N 3.06Å; L562-P566 VanDerWaalsContact O-CD 3.25Å; L562-P566 WeakPolarHBondContact O-CD 3.46Å; L562-N602 PolarHBondContact O-ND2 3.06Å
563	L	64.2	Low	67.3	Low	12 Å²	12	38.1 Å²	38.1	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-71.5	-38.1	173.6	-72.9	171.8	0	0	0	112.4	L194 T559 F560 I561 N602 K606	L194-L563 HydrophobicContact CD1-CD1 4.07Å; T559-L563 HydrophobicContact CG2-CD1 3.8Å; T559-L563 HydrophobicContact CG2-CG 4.15Å; T559-L563 WeakPolarHBondContact O-CB 3.41Å; T559-L563 WeakPolarHBondContact O-CG 3.44Å; T559-L563 PolarHBondContact O-N 2.9Å; F560-L563 PolarHBondContact O-N 2.84Å; I561-L563 VanDerWaalsContact C-N 3.28Å; I561-L563 PolarHBondContact O-N 3.43Å; L563-N602 HydrophobicContact CD2-CB 3.56Å; L563-N602 WeakPolarHBondContact CD2-O 3.39Å; L563-K606 HydrophobicContact CD1-CD 3.81Å; L563-K606 VanDerWaalsContact CD1-CE 3.47Å; L563-K606 HydrophobicContact CD1-CG 4.34Å; L563-K606 HydrophobicContact CD2-CD 4.23Å
564	N	69.8	Low	67.8	Low	9 Å²	9	36.5 Å²	36.5	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-90.1	-25.4	-174.6	-83.9	14	0	0	0	114.6	T526 F560 I561 M567 F568	T526-N564 PolarHBondContact OG1-ND2 2.81Å; F560-N564 VanDerWaalsContact CE2-ND2 3.3Å; F560-N564 WeakPolarHBondContact CE2-ND2 3.18Å; F560-N564 WeakPolarHBondContact CZ-ND2 3.33Å; F560-N564 PolarHBondContact O-N 3.3Å; I561-N564 PolarHBondContact O-N 3.29Å; N564-M567 WeakPolarHBondContact O-CA 3.36Å; N564-M567 WeakPolarHBondContact O-CB 3.21Å; N564-M567 PolarHBondContact O-N 3.03Å; N564-F568 HydrophobicContact CB-CD2 4.45Å; N564-F568 HydrophobicContact CB-CE2 4.45Å; N564-F568 WeakPolarHBondContact O-CD2 3.5Å; N564-F568 PolarHBondContact O-N 2.91Å
565	I	73.1	Confident	68.4	Low	85 Å²	85	36.4 Å²	36.4	44%	0.436	19%	0.192	S	C	.	.	H	α-helix	trans	-52.8	-47.9	177.4	-78	165.9	0	0	0	112.4	I561 M567 F568 V569	I561-I565 HydrophobicContact CG2-CD1 3.53Å; I561-I565 HydrophobicContact CG2-CG1 4.14Å; I561-I565 WeakPolarHBondContact O-CG1 2.99Å; I561-I565 PolarHBondContact O-N 3.49Å; I565-M567 PolarHBondContact O-N 3.37Å; I565-F568 PolarHBondContact O-N 3.17Å; I565-V569 WeakPolarHBondContact O-CG2 3.47Å; I565-V569 PolarHBondContact O-N 3.35Å
566	P	69.5	Low	69	Low	18 Å²	18	36.4 Å²	36.4	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-32.8	175.2	-28	37.8	0	0	0	113.7	L562 V569 L570 A598	L562-P566 VanDerWaalsContact O-CD 3.25Å; L562-P566 WeakPolarHBondContact O-CD 3.46Å; P566-V569 PolarHBondContact O-N 2.97Å; P566-L570 WeakPolarHBondContact O-CB 3.24Å; P566-L570 PolarHBondContact O-N 2.86Å; P566-A598 HydrophobicContact CB-CB 3.97Å; P566-A598 HydrophobicContact CG-CB 4.07Å
567	M	69.2	Low	69.4	Low	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-45.1	178.1	-137.4	-61.2	-160.5	0	0	111.3	D517 V522 N564 I565 V569 L570 M571 Y599	D517-M567 WeakPolarHBondContact OD2-CE 3.44Å; V522-M567 HydrophobicContact CG2-CE 3.57Å; V522-M567 HydrophobicContact CG2-CG 4.15Å; V522-M567 HydrophobicContact CG2-SD 3.56Å; V522-M567 VanDerWaalsContact CG2-SD 3.56Å; N564-M567 WeakPolarHBondContact O-CA 3.36Å; N564-M567 WeakPolarHBondContact O-CB 3.21Å; N564-M567 PolarHBondContact O-N 3.03Å; I565-M567 PolarHBondContact O-N 3.37Å; M567-V569 PolarHBondContact O-N 2.86Å; M567-L570 VanDerWaalsContact O-CB 3.26Å; M567-L570 WeakPolarHBondContact O-CB 3.34Å; M567-L570 PolarHBondContact O-N 3.33Å; M567-M571 HydrophobicContact CE-CE 3.56Å; M567-M571 HydrophobicContact CE-SD 4.16Å; M567-M571 WeakPolarHBondContact O-CG 3.32Å; M567-M571 PolarHBondContact O-N 3.33Å; M567-M571 HydrophobicContact SD-CE 3.68Å; M567-M571 HydrophobicContact SD-CG 3.86Å; M567-M571 HydrophobicContact SD-SD 3.49Å; M567-Y599 HydrophobicContact CB-CD2 3.89Å; M567-Y599 HydrophobicContact CB-CE2 3.86Å; M567-Y599 HydrophobicContact CG-CD2 3.68Å; M567-Y599 HydrophobicContact CG-CE2 3.28Å
568	F	72.8	Confident	69.6	Low	58 Å²	58	37.7 Å²	37.7	25%	0.254	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-45.2	171.6	-83.2	-75	0	0	0	112.1	V522 T523 T526 N564 I565 M571 L572	V522-F568 HydrophobicContact CG1-CD1 4.21Å; V522-F568 HydrophobicContact CG1-CD2 3.87Å; V522-F568 HydrophobicContact CG1-CE1 3.96Å; V522-F568 HydrophobicContact CG1-CE2 3.59Å; V522-F568 HydrophobicContact CG1-CG 4.17Å; V522-F568 HydrophobicContact CG1-CZ 3.65Å; T523-F568 HydrophobicContact CG2-CE1 3.57Å; T523-F568 HydrophobicContact CG2-CZ 3.91Å; T526-F568 HydrophobicContact CG2-CE2 4.07Å; T526-F568 HydrophobicContact CG2-CZ 4.32Å; N564-F568 HydrophobicContact CB-CD2 4.45Å; N564-F568 HydrophobicContact CB-CE2 4.45Å; N564-F568 WeakPolarHBondContact O-CD2 3.5Å; N564-F568 PolarHBondContact O-N 2.91Å; I565-F568 PolarHBondContact O-N 3.17Å; F568-M571 PolarHBondContact O-N 3.01Å; F568-L572 WeakPolarHBondContact O-CB 3.44Å; F568-L572 VanDerWaalsContact O-CG 3.29Å; F568-L572 WeakPolarHBondContact O-CG 3.39Å; F568-L572 PolarHBondContact O-N 3.13Å
569	V	76.7	Confident	69.9	Low	70 Å²	70	42.9 Å²	42.9	42%	0.424	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-41.6	176.8	174.9	0	0	0	0	110.9	I565 P566 M567 M571 T573 A595	I565-V569 WeakPolarHBondContact O-CG2 3.47Å; I565-V569 PolarHBondContact O-N 3.35Å; P566-V569 PolarHBondContact O-N 2.97Å; M567-V569 PolarHBondContact O-N 2.86Å; V569-M571 PolarHBondContact O-N 3.07Å; V569-T573 HydrophobicContact CG1-CG2 4.23Å; V569-T573 WeakPolarHBondContact O-CB 3.34Å; V569-T573 VanDerWaalsContact O-CG2 3.31Å; V569-T573 WeakPolarHBondContact O-CG2 3.3Å; V569-T573 PolarHBondContact O-N 3.06Å; V569-T573 PolarHBondContact O-OG1 3.41Å; V569-A595 HydrophobicContact CG1-CB 4.16Å
570	L	72.4	Confident	69.9	Low	5 Å²	5	42 Å²	42	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-53.4	-52.2	173.1	-121.7	169.7	0	0	0	111.5	F84 P566 M567 T573 S574 I592 A595 M596	F84-L570 HydrophobicContact CD1-CD2 3.54Å; F84-L570 HydrophobicContact CD2-CD2 4.5Å; F84-L570 HydrophobicContact CE1-CB 4.38Å; F84-L570 HydrophobicContact CE1-CD2 3.26Å; F84-L570 HydrophobicContact CE1-CG 4.38Å; F84-L570 WeakPolarHBondContact CE1-O 3.48Å; F84-L570 HydrophobicContact CE2-CD2 4.26Å; F84-L570 HydrophobicContact CG-CD2 4.16Å; F84-L570 HydrophobicContact CZ-CB 4.31Å; F84-L570 HydrophobicContact CZ-CD2 3.62Å; F84-L570 HydrophobicContact CZ-CG 4.43Å; P566-L570 WeakPolarHBondContact O-CB 3.24Å; P566-L570 PolarHBondContact O-N 2.86Å; M567-L570 VanDerWaalsContact O-CB 3.26Å; M567-L570 WeakPolarHBondContact O-CB 3.34Å; M567-L570 PolarHBondContact O-N 3.33Å; L570-T573 PolarHBondContact O-N 3.4Å; L570-T573 PolarHBondContact O-OG1 3.43Å; L570-S574 PolarHBondContact O-N 3.43Å; L570-S574 PolarHBondContact O-OG 3.24Å; L570-I592 HydrophobicContact CD2-CG2 4.05Å; L570-A595 HydrophobicContact CB-CB 4.07Å; L570-A595 HydrophobicContact CG-CB 3.68Å; L570-M596 HydrophobicContact CD1-CB 4.42Å; L570-M596 HydrophobicContact CD1-CG 3.79Å; L570-M596 HydrophobicContact CD2-CG 3.95Å; L570-M596 HydrophobicContact CG-CG 4.31Å
571	M	70.8	Confident	69.5	Low	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-71.8	-38.2	-175.3	-68.6	-178.3	146.5	0	0	112.9	F84 F514 D517 L518 V522 M567 F568 V569 S574 I575	F84-M571 HydrophobicContact CZ-CG 4.16Å; F514-M571 HydrophobicContact CD2-CE 4.06Å; F514-M571 HydrophobicContact CE2-CB 4.49Å; F514-M571 HydrophobicContact CE2-CE 3.57Å; F514-M571 HydrophobicContact CE2-CG 3.74Å; F514-M571 HydrophobicContact CE2-SD 4.4Å; F514-M571 HydrophobicContact CZ-CB 4.1Å; F514-M571 HydrophobicContact CZ-CE 4.39Å; F514-M571 HydrophobicContact CZ-CG 3.86Å; D517-M571 HydrophobicContact CB-CE 3.86Å; L518-M571 VanDerWaalsContact CA-SD 3.54Å; L518-M571 HydrophobicContact CB-CE 3.88Å; L518-M571 HydrophobicContact CB-SD 3.53Å; L518-M571 VanDerWaalsContact CB-SD 3.53Å; L518-M571 HydrophobicContact CD1-CB 4.12Å; L518-M571 HydrophobicContact CD1-CG 4.44Å; L518-M571 HydrophobicContact CD1-SD 3.5Å; L518-M571 VanDerWaalsContact CD1-SD 3.5Å; L518-M571 HydrophobicContact CG-SD 4.05Å; V522-M571 HydrophobicContact CB-SD 4.5Å; V522-M571 HydrophobicContact CG2-CE 4.24Å; V522-M571 HydrophobicContact CG2-SD 3.85Å; M567-M571 HydrophobicContact CE-CE 3.56Å; M567-M571 HydrophobicContact CE-SD 4.16Å; M567-M571 WeakPolarHBondContact O-CG 3.32Å; M567-M571 PolarHBondContact O-N 3.33Å; M567-M571 HydrophobicContact SD-CE 3.68Å; M567-M571 HydrophobicContact SD-CG 3.86Å; M567-M571 HydrophobicContact SD-SD 3.49Å; F568-M571 PolarHBondContact O-N 3.01Å; V569-M571 PolarHBondContact O-N 3.07Å; M571-S574 PolarHBondContact O-OG 3.15Å; M571-S574 VanDerWaalsContact O-OG 3.12Å; M571-I575 WeakPolarHBondContact O-CD1 3.4Å; M571-I575 VanDerWaalsContact O-CG1 3.3Å; M571-I575 WeakPolarHBondContact O-CG1 3.34Å; M571-I575 PolarHBondContact O-N 3.34Å
572	L	75.1	Confident	69	Low	117 Å²	117	54.5 Å²	54.5	61%	0.613	28%	0.275	S	S	*	.	H	α-helix	trans	-68.9	-35.4	174.1	-69.6	168.7	0	0	0	111.9	F568 G576	F568-L572 WeakPolarHBondContact O-CB 3.44Å; F568-L572 VanDerWaalsContact O-CG 3.29Å; F568-L572 WeakPolarHBondContact O-CG 3.39Å; F568-L572 PolarHBondContact O-N 3.13Å; L572-G576 PolarHBondContact O-N 3.05Å
573	T	72.9	Confident	68.7	Low	23 Å²	23	54.5 Å²	54.5	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-73.4	-31.2	177.2	49.3	0	0	0	0	113.5	V569 L570 F577	V569-T573 HydrophobicContact CG1-CG2 4.23Å; V569-T573 WeakPolarHBondContact O-CB 3.34Å; V569-T573 VanDerWaalsContact O-CG2 3.31Å; V569-T573 WeakPolarHBondContact O-CG2 3.3Å; V569-T573 PolarHBondContact O-N 3.06Å; V569-T573 PolarHBondContact O-OG1 3.41Å; L570-T573 PolarHBondContact O-N 3.4Å; L570-T573 PolarHBondContact O-OG1 3.43Å; T573-F577 WeakPolarHBondContact O-CB 3.41Å; T573-F577 PolarHBondContact O-N 3.15Å
574	S	68.9	Low	68.8	Low	3 Å²	3	60.5 Å²	60.5	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-73	-37.2	172	62.3	0	0	0	0	112.9	F84 F514 L570 M571 F577 R578	F84-S574 WeakPolarHBondContact CE1-OG 3.4Å; F514-S574 WeakPolarHBondContact CZ-OG 3.22Å; L570-S574 PolarHBondContact O-N 3.43Å; L570-S574 PolarHBondContact O-OG 3.24Å; M571-S574 PolarHBondContact O-OG 3.15Å; M571-S574 VanDerWaalsContact O-OG 3.12Å; S574-F577 PolarHBondContact O-N 3.46Å; S574-R578 WeakPolarHBondContact O-CB 3.31Å; S574-R578 PolarHBondContact O-N 3.44Å; S574-R578 VanDerWaalsContact O-N 3.1Å
575	I	73.3	Confident	68.7	Low	50 Å²	50	63.4 Å²	63.4	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-45.2	170.4	-66.2	166.3	0	0	0	110.1	L518 M571 R578 L579	L518-I575 HydrophobicContact CD2-CD1 4.28Å; M571-I575 WeakPolarHBondContact O-CD1 3.4Å; M571-I575 VanDerWaalsContact O-CG1 3.3Å; M571-I575 WeakPolarHBondContact O-CG1 3.34Å; M571-I575 PolarHBondContact O-N 3.34Å; I575-R578 PolarHBondContact O-N 3.45Å; I575-L579 HydrophobicContact CG2-CD1 3.99Å; I575-L579 WeakPolarHBondContact O-CG 3.48Å; I575-L579 PolarHBondContact O-N 3.03Å; I575-L579 VanDerWaalsContact O-N 3.13Å
576	G	68.9	Low	68.6	Low	16 Å²	16	61.6 Å²	61.6	17%	0.165	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-45.5	174.7	0	0	0	0	0	113	L572 R578 L579 S580	L572-G576 PolarHBondContact O-N 3.05Å; G576-R578 VanDerWaalsContact C-N 3.29Å; G576-R578 PolarHBondContact O-N 3.21Å; G576-L579 CarbonylContact O-C 3.59Å; G576-L579 PolarHBondContact O-N 3.42Å; G576-S580 WeakPolarHBondContact O-CB 3.43Å; G576-S580 PolarHBondContact O-N 2.85Å
577	F	70.5	Confident	68.9	Low	2 Å²	2	66.1 Å²	66.1	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-55.8	-45	174.9	-166.8	-71.9	0	0	0	111.6	Y87 S90 T573 S574 L579 S580 R585 Y588 I592	Y87-F577 AromaticContact CD1-CD1 3.46Å; Y87-F577 HydrophobicContact CD1-CD1 3.46Å; Y87-F577 VanDerWaalsContact CD1-CD1 3.46Å; Y87-F577 AromaticContact CD1-CE1 3.3Å; Y87-F577 HydrophobicContact CD1-CE1 3.3Å; Y87-F577 HydrophobicContact CD1-CG 4.28Å; Y87-F577 HydrophobicContact CD1-CZ 4Å; Y87-F577 HydrophobicContact CD2-CB 3.99Å; Y87-F577 AromaticContact CD2-CD1 3.65Å; Y87-F577 HydrophobicContact CD2-CD1 3.65Å; Y87-F577 HydrophobicContact CD2-CE1 4.33Å; Y87-F577 AromaticContact CD2-CG 3.83Å; Y87-F577 HydrophobicContact CD2-CG 3.83Å; Y87-F577 AromaticContact CE1-CD1 3.8Å; Y87-F577 HydrophobicContact CE1-CD1 3.8Å; Y87-F577 AromaticContact CE1-CE1 3.82Å; Y87-F577 HydrophobicContact CE1-CE1 3.82Å; Y87-F577 HydrophobicContact CE2-CB 4.42Å; Y87-F577 AromaticContact CE2-CD1 3.97Å; Y87-F577 HydrophobicContact CE2-CD1 3.97Å; Y87-F577 HydrophobicContact CE2-CG 4.43Å; Y87-F577 HydrophobicContact CG-CB 4.42Å; Y87-F577 AromaticContact CG-CD1 3.4Å; Y87-F577 HydrophobicContact CG-CD1 3.4Å; Y87-F577 HydrophobicContact CG-CD2 4.21Å; Y87-F577 AromaticContact CG-CE1 3.61Å; Y87-F577 HydrophobicContact CG-CE1 3.61Å; Y87-F577 HydrophobicContact CG-CE2 4.39Å; Y87-F577 AromaticContact CG-CG 3.75Å; Y87-F577 HydrophobicContact CG-CG 3.75Å; Y87-F577 HydrophobicContact CG-CZ 4.12Å; S90-F577 WeakPolarHBondContact OG-CE2 3.43Å; S90-F577 WeakPolarHBondContact OG-CZ 3.48Å; T573-F577 WeakPolarHBondContact O-CB 3.41Å; T573-F577 PolarHBondContact O-N 3.15Å; S574-F577 PolarHBondContact O-N 3.46Å; F577-L579 VanDerWaalsContact C-N 3.28Å; F577-L579 PolarHBondContact O-N 3.21Å; F577-S580 PolarHBondContact O-N 3.17Å; F577-R585 HydrophobicContact CE1-CG 4.04Å; F577-R585 HydrophobicContact CE2-CB 3.94Å; F577-R585 HydrophobicContact CE2-CG 4.12Å; F577-R585 WeakPolarHBondContact CE2-O 3.24Å; F577-R585 HydrophobicContact CZ-CB 3.87Å; F577-R585 HydrophobicContact CZ-CG 3.77Å; F577-Y588 HydrophobicContact CB-CG 4.46Å; F577-I592 HydrophobicContact CB-CD1 4.46Å; F577-I592 HydrophobicContact CD2-CD1 4.33Å
578	R	68.3	Low	69.2	Low	90 Å²	90	69.7 Å²	69.7	34%	0.34	34%	0.342	S	S	.	.	H	α-helix	trans	-70.3	-24.4	-176.8	-163.5	168.2	-171.3	-164.1	-0.1	113.3	E78 Y87 R511 S574 I575 G576	E78-R578 IonicContact OE2-CZ 2.75Å; E78-R578 IonicContact OE2-NE 3.85Å; E78-R578 IonicContact OE2-NH2 3.5Å; E78-R578 PolarHBondContact OE2-NH2 3.17Å; Y87-R578 HydrophobicContact CE2-CB 4.29Å; R511-R578 VanDerWaalsContact CZ-NH2 3.27Å; R511-R578 VanDerWaalsContact NH1-NH2 3.11Å; S574-R578 WeakPolarHBondContact O-CB 3.31Å; S574-R578 PolarHBondContact O-N 3.44Å; S574-R578 VanDerWaalsContact O-N 3.1Å; I575-R578 PolarHBondContact O-N 3.45Å; G576-R578 VanDerWaalsContact C-N 3.29Å; G576-R578 PolarHBondContact O-N 3.21Å
579	L	69.9	Low	69.3	Low	146 Å²	146	66.9 Å²	66.9	76%	0.764	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.7	173.9	-65.4	171	0	0	0	113.4	I575 G576 F577	I575-L579 HydrophobicContact CG2-CD1 3.99Å; I575-L579 WeakPolarHBondContact O-CG 3.48Å; I575-L579 PolarHBondContact O-N 3.03Å; I575-L579 VanDerWaalsContact O-N 3.13Å; G576-L579 CarbonylContact O-C 3.59Å; G576-L579 PolarHBondContact O-N 3.42Å; F577-L579 VanDerWaalsContact C-N 3.28Å; F577-L579 PolarHBondContact O-N 3.21Å
580	S	62.6	Low	69.4	Low	18 Å²	18	64.7 Å²	64.7	13%	0.126	32%	0.317	C	S	.	.			trans	-104.9	128.8	-171.7	-166.4	0	0	0	0	113.4	G576 F577 R585 Y588	G576-S580 WeakPolarHBondContact O-CB 3.43Å; G576-S580 PolarHBondContact O-N 2.85Å; F577-S580 PolarHBondContact O-N 3.17Å; S580-R585 PolarHBondContact O-NE 3.12Å; S580-Y588 WeakPolarHBondContact OG-CE2 3.46Å
581	E	56.9	Low	69.7	Low	166 Å²	166	65.4 Å²	65.4	78%	0.776	33%	0.325	S	S	*	.			trans	-73.5	176.6	170.1	-61.6	-161.9	151.7	0	0	112.4	P583	E581-P583 VanDerWaalsContact C-CD 3.42Å; E581-P583 WeakPolarHBondContact O-CD 3.33Å
582	K	56.7	Low	70	Confident	151 Å²	151	65.4 Å²	65.4	66%	0.657	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-60.8	-32.1	-153.9	-74.1	-178.2	176.2	175.8	0	118.7	Y584	K582-Y584 VanDerWaalsContact C-N 3.35Å; K582-Y584 PolarHBondContact O-N 2.93Å
583	P	59.5	Low	70.2	Confident	102 Å²	102	59.9 Å²	59.9	66%	0.662	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-68.3	-27.8	-173.3	24.7	-33.3	0	0	0	114.6	E581	E581-P583 VanDerWaalsContact C-CD 3.42Å; E581-P583 WeakPolarHBondContact O-CD 3.33Å
584	Y	66.2	Low	70.6	Confident	138 Å²	138	63.2 Å²	63.2	54%	0.541	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-97.1	-3.5	-173.3	-58.6	-72.6	0	0	0	114.5	K582 N586 I587 Y588	K582-Y584 VanDerWaalsContact C-N 3.35Å; K582-Y584 PolarHBondContact O-N 2.93Å; Y584-N586 VanDerWaalsContact C-N 3.33Å; Y584-N586 PolarHBondContact O-N 3.03Å; Y584-I587 HydrophobicContact CD1-CD1 4.1Å; Y584-I587 WeakPolarHBondContact O-CB 3.27Å; Y584-I587 PolarHBondContact O-N 2.96Å; Y584-Y588 VanDerWaalsContact O-CD2 3.31Å; Y584-Y588 WeakPolarHBondContact O-CD2 3.46Å; Y584-Y588 PolarHBondContact O-N 3.21Å; Y584-Y588 VanDerWaalsContact O-N 3.07Å
585	R	68.8	Low	70.9	Confident	69 Å²	69	63.3 Å²	63.3	26%	0.26	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-40.2	-174.9	-77.9	-171.2	170.4	-158.1	-4.8	113.4	F577 S580 I587 Y588 G589	F577-R585 HydrophobicContact CE1-CG 4.04Å; F577-R585 HydrophobicContact CE2-CB 3.94Å; F577-R585 HydrophobicContact CE2-CG 4.12Å; F577-R585 WeakPolarHBondContact CE2-O 3.24Å; F577-R585 HydrophobicContact CZ-CB 3.87Å; F577-R585 HydrophobicContact CZ-CG 3.77Å; S580-R585 PolarHBondContact O-NE 3.12Å; R585-I587 VanDerWaalsContact C-N 3.26Å; R585-I587 PolarHBondContact O-N 3.47Å; R585-Y588 PolarHBondContact O-N 2.87Å; R585-G589 PolarHBondContact O-N 2.91Å
586	N	70.4	Confident	71	Confident	47 Å²	47	61.3 Å²	61.3	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-31.7	177.8	-65.7	11.6	0	0	0	112.2	E71 S90 Y584 T590	E71-N586 PolarHBondContact OE2-ND2 2.82Å; S90-N586 WeakPolarHBondContact O-CA 3.06Å; S90-N586 PolarHBondContact O-OD1 3.14Å; Y584-N586 VanDerWaalsContact C-N 3.33Å; Y584-N586 PolarHBondContact O-N 3.03Å; N586-T590 VanDerWaalsContact O-CB 3.25Å; N586-T590 WeakPolarHBondContact O-CB 3.4Å; N586-T590 PolarHBondContact O-N 3.48Å; N586-T590 PolarHBondContact O-OG1 2.98Å
587	I	76.3	Confident	71.3	Confident	114 Å²	114	61.2 Å²	61.2	59%	0.585	30%	0.299	S	S	*	.	H	α-helix	trans	-71.4	-48.5	176	-66.9	161.8	0	0	0	110.2	Y584 R585 T590 G591	Y584-I587 HydrophobicContact CD1-CD1 4.1Å; Y584-I587 WeakPolarHBondContact O-CB 3.27Å; Y584-I587 PolarHBondContact O-N 2.96Å; R585-I587 VanDerWaalsContact C-N 3.26Å; R585-I587 PolarHBondContact O-N 3.47Å; I587-T590 PolarHBondContact O-N 2.87Å; I587-G591 PolarHBondContact O-N 2.89Å
588	Y	75.2	Confident	71.5	Confident	77 Å²	77	63 Å²	63	30%	0.302	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-41.7	177.2	-72.2	-72.5	0	0	0	112.5	F577 S580 Y584 R585 T590 G591 I592	F577-Y588 HydrophobicContact CB-CG 4.46Å; S580-Y588 WeakPolarHBondContact OG-CE2 3.46Å; Y584-Y588 VanDerWaalsContact O-CD2 3.31Å; Y584-Y588 WeakPolarHBondContact O-CD2 3.46Å; Y584-Y588 PolarHBondContact O-N 3.21Å; Y584-Y588 VanDerWaalsContact O-N 3.07Å; R585-Y588 PolarHBondContact O-N 2.87Å; Y588-T590 PolarHBondContact O-N 3.22Å; Y588-G591 WeakPolarHBondContact O-CA 3.38Å; Y588-G591 PolarHBondContact O-N 2.92Å; Y588-G591 VanDerWaalsContact O-N 3.17Å; Y588-I592 WeakPolarHBondContact O-CG1 3.32Å; Y588-I592 PolarHBondContact O-N 3.27Å
589	G	74.6	Confident	71.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-41.9	175.2	0	0	0	0	0	112.3	R585 G591 I592 L593	R585-G589 PolarHBondContact O-N 2.91Å; G589-G591 VanDerWaalsContact C-N 3.35Å; G589-I592 PolarHBondContact O-N 2.95Å; G589-L593 WeakPolarHBondContact O-CG 3.48Å; G589-L593 PolarHBondContact O-N 2.93Å; G589-L593 VanDerWaalsContact O-N 3.09Å
590	T	78.5	Confident	71.7	Confident	24 Å²	24	52.1 Å²	52.1	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-36.6	173.3	-55.1	0	0	0	0	111.7	G91 S92 T95 N586 I587 Y588 L593 I594	G91-T590 WeakPolarHBondContact CA-OG1 3.24Å; S92-T590 PolarHBondContact N-OG1 3.43Å; T95-T590 HydrophobicContact CG2-CG2 3.82Å; N586-T590 VanDerWaalsContact O-CB 3.25Å; N586-T590 WeakPolarHBondContact O-CB 3.4Å; N586-T590 PolarHBondContact O-N 3.48Å; N586-T590 PolarHBondContact O-OG1 2.98Å; I587-T590 PolarHBondContact O-N 2.87Å; Y588-T590 PolarHBondContact O-N 3.22Å; T590-L593 PolarHBondContact O-N 3.46Å; T590-I594 HydrophobicContact CG2-CD1 4.05Å; T590-I594 WeakPolarHBondContact O-CG1 3.27Å; T590-I594 PolarHBondContact O-N 3.03Å
591	G	79	Confident	72	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-43.7	172	0	0	0	0	0	112.9	I587 Y588 G589 I594 A595	I587-G591 PolarHBondContact O-N 2.89Å; Y588-G591 WeakPolarHBondContact O-CA 3.38Å; Y588-G591 PolarHBondContact O-N 2.92Å; Y588-G591 VanDerWaalsContact O-N 3.17Å; G589-G591 VanDerWaalsContact C-N 3.35Å; G591-I594 PolarHBondContact O-N 3Å; G591-A595 VanDerWaalsContact O-CB 3.25Å; G591-A595 WeakPolarHBondContact O-CB 3.49Å; G591-A595 PolarHBondContact O-N 2.95Å
592	I	77.3	Confident	72.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-44.1	175.1	-68.7	166.6	0	0	0	110.8	F84 Y87 A88 L570 F577 Y588 G589 A595 M596	F84-I592 HydrophobicContact CD1-CG2 4.26Å; Y87-I592 HydrophobicContact CD2-CD1 4.4Å; A88-I592 HydrophobicContact CB-CG2 4.26Å; L570-I592 HydrophobicContact CD2-CG2 4.05Å; F577-I592 HydrophobicContact CB-CD1 4.46Å; F577-I592 HydrophobicContact CD2-CD1 4.33Å; Y588-I592 WeakPolarHBondContact O-CG1 3.32Å; Y588-I592 PolarHBondContact O-N 3.27Å; G589-I592 PolarHBondContact O-N 2.95Å; I592-A595 PolarHBondContact O-N 3.34Å; I592-M596 WeakPolarHBondContact O-CB 3.31Å; I592-M596 PolarHBondContact O-N 3.5Å
593	L	79.5	Confident	72.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-49.2	174.8	-68.1	173.7	0	0	0	111.8	A88 L154 P157 G589 T590 T597	A88-L593 HydrophobicContact CB-CD2 3.95Å; L154-L593 HydrophobicContact CD2-CB 4.46Å; L154-L593 HydrophobicContact CD2-CD2 3.72Å; P157-L593 HydrophobicContact CG-CD1 4.16Å; G589-L593 WeakPolarHBondContact O-CG 3.48Å; G589-L593 PolarHBondContact O-N 2.93Å; G589-L593 VanDerWaalsContact O-N 3.09Å; T590-L593 PolarHBondContact O-N 3.46Å; L593-T597 WeakPolarHBondContact O-CB 3.31Å; L593-T597 PolarHBondContact O-N 3.04Å; L593-T597 PolarHBondContact O-OG1 2.85Å
594	I	80.5	Confident	72.5	Confident	94 Å²	94	34.6 Å²	34.6	48%	0.482	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-44	-179.7	-68.3	167.9	0	0	0	110.6	T95 T590 G591 T597 A598	T95-I594 HydrophobicContact CG2-CD1 4.06Å; T95-I594 HydrophobicContact CG2-CG1 3.7Å; T590-I594 HydrophobicContact CG2-CD1 4.05Å; T590-I594 WeakPolarHBondContact O-CG1 3.27Å; T590-I594 PolarHBondContact O-N 3.03Å; G591-I594 PolarHBondContact O-N 3Å; I594-T597 WeakPolarHBondContact O-CB 3.31Å; I594-T597 PolarHBondContact O-N 3.17Å; I594-A598 WeakPolarHBondContact O-CB 3.43Å; I594-A598 PolarHBondContact O-N 3.02Å
595	A	75.7	Confident	72.1	Confident	4 Å²	4	31 Å²	31	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-38.2	-178.7	0	0	0	0	0	112.6	V569 L570 G591 I592 Y599	V569-A595 HydrophobicContact CG1-CB 4.16Å; L570-A595 HydrophobicContact CB-CB 4.07Å; L570-A595 HydrophobicContact CG-CB 3.68Å; G591-A595 VanDerWaalsContact O-CB 3.25Å; G591-A595 WeakPolarHBondContact O-CB 3.49Å; G591-A595 PolarHBondContact O-N 2.95Å; I592-A595 PolarHBondContact O-N 3.34Å; A595-Y599 WeakPolarHBondContact O-CB 3.15Å; A595-Y599 PolarHBondContact O-N 3.29Å
596	M	74.7	Confident	71.3	Confident	8 Å²	8	29.1 Å²	29.1	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-45.3	166.8	-94.3	-170.2	170.2	0	0	111.6	F84 L149 V153 L154 L570 I592 Y599 H600	F84-M596 HydrophobicContact CB-CE 3.7Å; F84-M596 HydrophobicContact CD2-CE 3.97Å; F84-M596 HydrophobicContact CG-CE 4.02Å; L149-M596 HydrophobicContact CD1-CE 3.78Å; L149-M596 HydrophobicContact CD1-CG 4.37Å; L149-M596 HydrophobicContact CD1-SD 3.68Å; L149-M596 HydrophobicContact CD2-SD 4.33Å; L149-M596 HydrophobicContact CG-SD 4.14Å; V153-M596 HydrophobicContact CB-SD 4.29Å; V153-M596 HydrophobicContact CG1-SD 3.75Å; L154-M596 HydrophobicContact CD2-CB 4.11Å; L570-M596 HydrophobicContact CD1-CB 4.42Å; L570-M596 HydrophobicContact CD1-CG 3.79Å; L570-M596 HydrophobicContact CD2-CG 3.95Å; L570-M596 HydrophobicContact CG-CG 4.31Å; I592-M596 WeakPolarHBondContact O-CB 3.31Å; I592-M596 PolarHBondContact O-N 3.5Å; M596-Y599 PolarHBondContact O-N 3.48Å; M596-H600 PolarHBondContact O-CD2 2.98Å; M596-H600 PolarHBondContact O-N 2.58Å
597	T	75.7	Confident	70.1	Confident	15 Å²	15	27.1 Å²	27.1	9%	0.092	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-53.1	-179.9	-53.3	0	0	0	0	110.3	A99 F102 L103 L593 I594 Y599 H600 T601	A99-T597 HydrophobicContact CB-CG2 4.17Å; A99-T597 WeakPolarHBondContact CB-OG1 3.41Å; F102-T597 HydrophobicContact CD1-CG2 3.98Å; L103-T597 HydrophobicContact CD1-CG2 4.05Å; L103-T597 HydrophobicContact CG-CG2 4.35Å; L593-T597 WeakPolarHBondContact O-CB 3.31Å; L593-T597 PolarHBondContact O-N 3.04Å; L593-T597 PolarHBondContact O-OG1 2.85Å; I594-T597 WeakPolarHBondContact O-CB 3.31Å; I594-T597 PolarHBondContact O-N 3.17Å; T597-Y599 VanDerWaalsContact C-N 3.3Å; T597-Y599 PolarHBondContact O-N 3.05Å; T597-H600 PolarHBondContact O-N 2.73Å; T597-T601 VanDerWaalsContact O-CB 3.24Å; T597-T601 WeakPolarHBondContact O-CB 3Å; T597-T601 PolarHBondContact O-N 2.98Å; T597-T601 PolarHBondContact O-OG1 3.49Å; T597-T601 VanDerWaalsContact O-OG1 3.06Å
598	A	74.9	Confident	68.4	Low	39 Å²	39	23 Å²	23	32%	0.322	13%	0.128	S	C	.	.	H	α-helix	trans	-57.6	-41.2	177.1	0	0	0	0	0	112.3	P566 I594 N602	P566-A598 HydrophobicContact CB-CB 3.97Å; P566-A598 HydrophobicContact CG-CB 4.07Å; I594-A598 WeakPolarHBondContact O-CB 3.43Å; I594-A598 PolarHBondContact O-N 3.02Å; A598-N602 WeakPolarHBondContact O-CB 3.49Å; A598-N602 PolarHBondContact O-N 3.49Å
599	Y	71.7	Confident	66.7	Low	7 Å²	7	22.6 Å²	22.6	3%	0.027	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-49	178.4	-178.9	-105.2	0	0	0	113	R187 M567 A595 M596 T597 N602 F603	R187-Y599 WeakPolarHBondContact CG-OH 3.26Å; R187-Y599 PolarHBondContact NE-OH 3.46Å; M567-Y599 HydrophobicContact CB-CD2 3.89Å; M567-Y599 HydrophobicContact CB-CE2 3.86Å; M567-Y599 HydrophobicContact CG-CD2 3.68Å; M567-Y599 HydrophobicContact CG-CE2 3.28Å; A595-Y599 WeakPolarHBondContact O-CB 3.15Å; A595-Y599 PolarHBondContact O-N 3.29Å; M596-Y599 PolarHBondContact O-N 3.48Å; T597-Y599 VanDerWaalsContact C-N 3.3Å; T597-Y599 PolarHBondContact O-N 3.05Å; Y599-N602 VanDerWaalsContact O-CB 3.23Å; Y599-N602 WeakPolarHBondContact O-CB 3.31Å; Y599-N602 PolarHBondContact O-N 3.36Å; Y599-F603 HydrophobicContact CD2-CE2 4.41Å; Y599-F603 HydrophobicContact CE1-CD2 4.34Å; Y599-F603 AromaticContact CE1-CE2 3.92Å; Y599-F603 HydrophobicContact CE1-CE2 3.92Å; Y599-F603 AromaticContact CE2-CE2 3.8Å; Y599-F603 HydrophobicContact CE2-CE2 3.8Å; Y599-F603 AromaticContact CZ-CE2 3.54Å; Y599-F603 WeakPolarHBondContact O-CD2 3.49Å; Y599-F603 PolarHBondContact O-N 3.04Å
600	H	71.6	Confident	64.9	Low	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-74.5	-32.8	179.3	-73.6	-87	0	0	0	112.7	L103 S145 S146 L149 D183 M596 T597 N602 F603 A604	L103-H600 HydrophobicContact CD1-CB 3.88Å; L103-H600 HydrophobicContact CD2-CB 3.74Å; L103-H600 HydrophobicContact CG-CB 4.49Å; S145-H600 PolarHBondContact OG-CE1 3.48Å; S146-H600 PolarHBondContact OG-ND1 3.45Å; S146-H600 VanDerWaalsContact OG-ND1 3.13Å; L149-H600 VanDerWaalsContact CD1-NE2 3.28Å; L149-H600 WeakPolarHBondContact CD1-NE2 3.25Å; D183-H600 IonicContact OD1-CE1 3.18Å; M596-H600 PolarHBondContact O-CD2 2.98Å; M596-H600 PolarHBondContact O-N 2.58Å; T597-H600 PolarHBondContact O-N 2.73Å; H600-N602 VanDerWaalsContact C-N 3.27Å; H600-N602 PolarHBondContact O-N 3.28Å; H600-F603 WeakPolarHBondContact O-CB 3.4Å; H600-F603 PolarHBondContact O-N 3.49Å; H600-A604 PolarHBondContact O-N 3.45Å
601	T	69.1	Low	62.7	Low	12 Å²	12	26 Å²	26	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-38.3	168.7	-66.2	0	0	0	0	110.5	F102 T597 F603 A604 L605	F102-T601 HydrophobicContact CE1-CG2 3.66Å; F102-T601 VanDerWaalsContact CE1-OG1 3.3Å; F102-T601 WeakPolarHBondContact CE1-OG1 3.29Å; F102-T601 HydrophobicContact CZ-CG2 3.94Å; T597-T601 VanDerWaalsContact O-CB 3.24Å; T597-T601 WeakPolarHBondContact O-CB 3Å; T597-T601 PolarHBondContact O-N 2.98Å; T597-T601 PolarHBondContact O-OG1 3.49Å; T597-T601 VanDerWaalsContact O-OG1 3.06Å; T601-F603 PolarHBondContact O-N 2.96Å; T601-A604 PolarHBondContact O-N 3.03Å; T601-A604 VanDerWaalsContact O-N 3.16Å; T601-L605 HydrophobicContact CG2-CD1 3.9Å; T601-L605 HydrophobicContact CG2-CG 4.13Å; T601-L605 VanDerWaalsContact O-CB 3.32Å; T601-L605 WeakPolarHBondContact O-CB 3.3Å; T601-L605 WeakPolarHBondContact O-CG 3.48Å; T601-L605 PolarHBondContact O-N 3.46Å
602	N	66	Low	60.5	Low	33 Å²	33	28.2 Å²	28.2	18%	0.176	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-31.1	172.5	-102.9	-19	0	0	0	112.8	L562 L563 A598 Y599 H600 K606	L562-N602 PolarHBondContact O-ND2 3.06Å; L563-N602 HydrophobicContact CD2-CB 3.56Å; L563-N602 WeakPolarHBondContact CD2-O 3.39Å; A598-N602 WeakPolarHBondContact O-CB 3.49Å; A598-N602 PolarHBondContact O-N 3.49Å; Y599-N602 VanDerWaalsContact O-CB 3.23Å; Y599-N602 WeakPolarHBondContact O-CB 3.31Å; Y599-N602 PolarHBondContact O-N 3.36Å; H600-N602 VanDerWaalsContact C-N 3.27Å; H600-N602 PolarHBondContact O-N 3.28Å; N602-K606 WeakPolarHBondContact O-CB 3.48Å; N602-K606 PolarHBondContact O-N 2.65Å
603	F	59.3	Low	58.3	Low	19 Å²	19	28.9 Å²	28.9	8%	0.083	16%	0.162	C	C	.	.	H	α-helix	trans	-75	-40.9	171.4	-85	-82.5	0	0	0	114	V141 S190 Y599 H600 T601 L605 K606 S607	V141-F603 HydrophobicContact CG1-CB 3.98Å; V141-F603 HydrophobicContact CG1-CD1 3.93Å; V141-F603 HydrophobicContact CG1-CG 3.96Å; V141-F603 HydrophobicContact CG2-CD1 4.33Å; S190-F603 WeakPolarHBondContact OG-CE1 3.31Å; S190-F603 VanDerWaalsContact OG-CZ 3.28Å; S190-F603 WeakPolarHBondContact OG-CZ 3.31Å; Y599-F603 HydrophobicContact CD2-CE2 4.41Å; Y599-F603 HydrophobicContact CE1-CD2 4.34Å; Y599-F603 AromaticContact CE1-CE2 3.92Å; Y599-F603 HydrophobicContact CE1-CE2 3.92Å; Y599-F603 AromaticContact CE2-CE2 3.8Å; Y599-F603 HydrophobicContact CE2-CE2 3.8Å; Y599-F603 AromaticContact CZ-CE2 3.54Å; Y599-F603 WeakPolarHBondContact O-CD2 3.49Å; Y599-F603 PolarHBondContact O-N 3.04Å; H600-F603 WeakPolarHBondContact O-CB 3.4Å; H600-F603 PolarHBondContact O-N 3.49Å; T601-F603 PolarHBondContact O-N 2.96Å; F603-L605 VanDerWaalsContact C-N 3.33Å; F603-K606 HydrophobicContact CD1-CD 4.11Å; F603-K606 HydrophobicContact CE1-CD 4.1Å; F603-K606 VanDerWaalsContact O-CB 3.23Å; F603-K606 WeakPolarHBondContact O-CB 3.31Å; F603-K606 PolarHBondContact O-N 3.26Å; F603-K606 VanDerWaalsContact O-N 3.14Å; F603-S607 PolarHBondContact O-N 3.4Å
604	A	57.6	Low	56.1	Low	5 Å²	5	30 Å²	30	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-46	171.7	0	0	0	0	0	110.8	M106 L142 H600 T601 K606 S607 T608	M106-A604 HydrophobicContact CB-CB 4.36Å; L142-A604 HydrophobicContact CD2-CB 3.88Å; H600-A604 PolarHBondContact O-N 3.45Å; T601-A604 PolarHBondContact O-N 3.03Å; T601-A604 VanDerWaalsContact O-N 3.16Å; A604-K606 VanDerWaalsContact C-N 3.33Å; A604-K606 PolarHBondContact O-N 2.93Å; A604-S607 WeakPolarHBondContact O-CB 3.13Å; A604-S607 PolarHBondContact O-N 2.98Å; A604-S607 VanDerWaalsContact O-N 3.16Å; A604-S607 PolarHBondContact O-OG 3.28Å; A604-T608 PolarHBondContact O-N 3.37Å
605	L	57.1	Low	53.9	Low	63 Å²	63	31 Å²	31	33%	0.33	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-32.9	172.4	-71.2	175.8	0	0	0	112.5	T601 F603 S607 T608 I609	T601-L605 HydrophobicContact CG2-CD1 3.9Å; T601-L605 HydrophobicContact CG2-CG 4.13Å; T601-L605 VanDerWaalsContact O-CB 3.32Å; T601-L605 WeakPolarHBondContact O-CB 3.3Å; T601-L605 WeakPolarHBondContact O-CG 3.48Å; T601-L605 PolarHBondContact O-N 3.46Å; F603-L605 VanDerWaalsContact C-N 3.33Å; L605-S607 VanDerWaalsContact C-N 3.26Å; L605-S607 PolarHBondContact O-N 3.32Å; L605-T608 WeakPolarHBondContact CA-OG1 3.38Å; L605-T608 PolarHBondContact O-N 2.84Å; L605-T608 PolarHBondContact O-OG1 3.28Å; L605-I609 HydrophobicContact CB-CD1 4Å; L605-I609 WeakPolarHBondContact O-CA 3.39Å; L605-I609 WeakPolarHBondContact O-CB 3.3Å; L605-I609 VanDerWaalsContact O-CG1 3.22Å; L605-I609 WeakPolarHBondContact O-CG1 3.48Å; L605-I609 PolarHBondContact O-N 3.1Å
606	K	53.4	Low	51.9	Low	29 Å²	29	34.8 Å²	34.8	13%	0.126	20%	0.202	C	C	.	.	H	α-helix	trans	-56.1	-43	172.3	-143.3	165	177.8	177	0	110.6	L563 N602 F603 A604 Y610	L563-K606 HydrophobicContact CD1-CD 3.81Å; L563-K606 VanDerWaalsContact CD1-CE 3.47Å; L563-K606 HydrophobicContact CD1-CG 4.34Å; L563-K606 HydrophobicContact CD2-CD 4.23Å; N602-K606 WeakPolarHBondContact O-CB 3.48Å; N602-K606 PolarHBondContact O-N 2.65Å; F603-K606 HydrophobicContact CD1-CD 4.11Å; F603-K606 HydrophobicContact CE1-CD 4.1Å; F603-K606 VanDerWaalsContact O-CB 3.23Å; F603-K606 WeakPolarHBondContact O-CB 3.31Å; F603-K606 PolarHBondContact O-N 3.26Å; F603-K606 VanDerWaalsContact O-N 3.14Å; A604-K606 VanDerWaalsContact C-N 3.33Å; A604-K606 PolarHBondContact O-N 2.93Å; K606-Y610 HydrophobicContact CG-CD2 3.69Å; K606-Y610 HydrophobicContact CG-CE2 3.66Å; K606-Y610 WeakPolarHBondContact O-CB 3.21Å; K606-Y610 VanDerWaalsContact O-CD2 3.29Å; K606-Y610 WeakPolarHBondContact O-CD2 3.25Å; K606-Y610 PolarHBondContact O-N 3.09Å
607	S	45.6	Very low	50.1	Low	5 Å²	5	36.7 Å²	36.7	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-40.3	178.5	81.6	0	0	0	0	113.5	F603 A604 L605 T611	F603-S607 PolarHBondContact O-N 3.4Å; A604-S607 WeakPolarHBondContact O-CB 3.13Å; A604-S607 PolarHBondContact O-N 2.98Å; A604-S607 VanDerWaalsContact O-N 3.16Å; A604-S607 PolarHBondContact O-OG 3.28Å; L605-S607 VanDerWaalsContact C-N 3.26Å; L605-S607 PolarHBondContact O-N 3.32Å; S607-T611 WeakPolarHBondContact O-CG2 3.49Å; S607-T611 PolarHBondContact O-N 3.29Å; S607-T611 PolarHBondContact O-OG1 2.96Å
608	T	40.3	Very low	48.4	Very low	27 Å²	27	37.7 Å²	37.7	17%	0.166	22%	0.219	C	C	.	.	H	α-helix	trans	-79.7	-43.1	-179.7	56.4	0	0	0	0	111.2	K113 A604 L605 T611 T612	K113-T608 HydrophobicContact CD-CG2 4.36Å; A604-T608 PolarHBondContact O-N 3.37Å; L605-T608 WeakPolarHBondContact CA-OG1 3.38Å; L605-T608 PolarHBondContact O-N 2.84Å; L605-T608 PolarHBondContact O-OG1 3.28Å; T608-T611 WeakPolarHBondContact CA-OG1 3.18Å; T608-T611 PolarHBondContact O-N 3.26Å; T608-T611 PolarHBondContact O-OG1 3.35Å; T608-T612 PolarHBondContact O-N 3.12Å; T608-T612 PolarHBondContact O-OG1 2.96Å
609	I	38.5	Very low	46.7	Very low	69 Å²	69	37.5 Å²	37.5	35%	0.354	21%	0.214	S	C	.	.	I	π-helix	trans	-69	-36.8	179	-62.9	172.5	0	0	0	111.3	L605 T611 G613 C614	L605-I609 HydrophobicContact CB-CD1 4Å; L605-I609 WeakPolarHBondContact O-CA 3.39Å; L605-I609 WeakPolarHBondContact O-CB 3.3Å; L605-I609 VanDerWaalsContact O-CG1 3.22Å; L605-I609 WeakPolarHBondContact O-CG1 3.48Å; L605-I609 PolarHBondContact O-N 3.1Å; I609-T611 VanDerWaalsContact C-N 3.27Å; I609-T611 PolarHBondContact O-N 3.36Å; I609-G613 CarbonylContact O-C 3.59Å; I609-G613 VanDerWaalsContact O-C 3.25Å; I609-G613 WeakPolarHBondContact O-CA 3.4Å; I609-G613 PolarHBondContact O-N 2.85Å; I609-C614 PolarHBondContact O-N 3.42Å
610	Y	36.8	Very low	45.4	Very low	57 Å²	57	40.1 Å²	40.1	22%	0.224	23%	0.234	C	C	.	.	I	π-helix	trans	-75.1	-13.4	173.2	-77.1	-68.6	0	0	0	114.1	Y556 T559 K606 C614	Y556-Y610 HydrophobicContact CD1-CE1 4.11Å; Y556-Y610 WeakPolarHBondContact CD1-OH 3.21Å; Y556-Y610 AromaticContact CE1-CE1 3.46Å; Y556-Y610 HydrophobicContact CE1-CE1 3.46Å; Y556-Y610 VanDerWaalsContact CE1-CE1 3.46Å; Y556-Y610 AromaticContact CE1-CZ 3.88Å; T559-Y610 HydrophobicContact CG2-CE2 4.49Å; K606-Y610 HydrophobicContact CG-CD2 3.69Å; K606-Y610 HydrophobicContact CG-CE2 3.66Å; K606-Y610 WeakPolarHBondContact O-CB 3.21Å; K606-Y610 VanDerWaalsContact O-CD2 3.29Å; K606-Y610 WeakPolarHBondContact O-CD2 3.25Å; K606-Y610 PolarHBondContact O-N 3.09Å; Y610-C614 HydrophobicContact CD1-CB 3.84Å
611	T	33.3	Very low	44.1	Very low	37 Å²	37	42.8 Å²	42.8	23%	0.227	25%	0.248	C	C	.	.	I	π-helix	trans	-95.7	-38	173.9	50.3	0	0	0	0	114.4	R136 S607 T608 I609 N615	R136-T611 VanDerWaalsContact NH2-CG2 3.29Å; S607-T611 WeakPolarHBondContact O-CG2 3.49Å; S607-T611 PolarHBondContact O-N 3.29Å; S607-T611 PolarHBondContact O-OG1 2.96Å; T608-T611 WeakPolarHBondContact CA-OG1 3.18Å; T608-T611 PolarHBondContact O-N 3.26Å; T608-T611 PolarHBondContact O-OG1 3.35Å; I609-T611 VanDerWaalsContact C-N 3.27Å; I609-T611 PolarHBondContact O-N 3.36Å; T611-N615 PolarHBondContact O-ND2 2.79Å
612	T	32.4	Very low	43	Very low	67 Å²	67	50.6 Å²	50.6	41%	0.411	28%	0.277	S	S	.	.	I	π-helix	trans	-101	-63.5	175.9	64.3	0	0	0	0	110.3	T608 C614 N615 C616	T608-T612 PolarHBondContact O-N 3.12Å; T608-T612 PolarHBondContact O-OG1 2.96Å; T612-C614 VanDerWaalsContact C-N 3.32Å; T612-C614 PolarHBondContact O-N 3.43Å; T612-N615 WeakPolarHBondContact O-CA 3.46Å; T612-N615 WeakPolarHBondContact O-CB 3.49Å; T612-N615 PolarHBondContact O-N 2.94Å; T612-C616 PolarHBondContact O-N 2.96Å; T612-C616 PolarHBondContact O-SG 2.75Å; T612-C616 VanDerWaalsContact O-SG 3.34Å
613	G	29.7	Very low	42.1	Very low	15 Å²	15	50.5 Å²	50.5	16%	0.155	28%	0.279	C	S	.	.	I	π-helix	trans	-52.9	-41.5	-176.9	0	0	0	0	0	114.1	I609 N615 C616 I617	I609-G613 CarbonylContact O-C 3.59Å; I609-G613 VanDerWaalsContact O-C 3.25Å; I609-G613 WeakPolarHBondContact O-CA 3.4Å; I609-G613 PolarHBondContact O-N 2.85Å; G613-N615 VanDerWaalsContact C-N 3.31Å; G613-N615 PolarHBondContact O-N 3.06Å; G613-C616 CarbonylContact O-C 2.93Å; G613-C616 PolarHBondContact O-N 3.23Å; G613-I617 WeakPolarHBondContact O-CB 3.43Å; G613-I617 WeakPolarHBondContact O-CD1 3.27Å; G613-I617 WeakPolarHBondContact O-CG1 3.41Å; G613-I617 PolarHBondContact O-N 2.71Å
614	C	34.5	Very low	41.6	Very low	24 Å²	24	50.6 Å²	50.6	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-74.9	-20.6	179.2	-156.1	0	0	0	0	112.5	I609 Y610 T612 C618	I609-C614 PolarHBondContact O-N 3.42Å; Y610-C614 HydrophobicContact CD1-CB 3.84Å; T612-C614 VanDerWaalsContact C-N 3.32Å; T612-C614 PolarHBondContact O-N 3.43Å; C614-C618 WeakPolarHBondContact O-CB 3.46Å; C614-C618 PolarHBondContact O-N 2.96Å; C614-C618 PolarHBondContact O-SG 2.76Å
615	N	34.3	Very low	41.3	Very low	115 Å²	115	58 Å²	58	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-79.4	-38.7	167.5	-75.9	-44.7	0	0	0	111.3	T611 T612 G613 C618 C619	T611-N615 PolarHBondContact O-ND2 2.79Å; T612-N615 WeakPolarHBondContact O-CA 3.46Å; T612-N615 WeakPolarHBondContact O-CB 3.49Å; T612-N615 PolarHBondContact O-N 2.94Å; G613-N615 VanDerWaalsContact C-N 3.31Å; G613-N615 PolarHBondContact O-N 3.06Å; N615-C618 CarbonylContact O-C 3.25Å; N615-C618 WeakPolarHBondContact O-CA 3.4Å; N615-C618 PolarHBondContact O-N 3Å; N615-C619 PolarHBondContact O-N 2.86Å
616	C	32.7	Very low	41	Very low	84 Å²	84	61.2 Å²	61.2	57%	0.568	33%	0.327	S	S	*	.	H	α-helix	trans	-68.1	-36.8	173.9	-58	0	0	0	0	113.1	T612 G613 C618 C619	T612-C616 PolarHBondContact O-N 2.96Å; T612-C616 PolarHBondContact O-SG 2.75Å; T612-C616 VanDerWaalsContact O-SG 3.34Å; G613-C616 CarbonylContact O-C 2.93Å; G613-C616 PolarHBondContact O-N 3.23Å; C616-C618 VanDerWaalsContact C-N 3.29Å; C616-C619 WeakPolarHBondContact O-CB 3.44Å; C616-C619 PolarHBondContact O-N 3.5Å; C616-C619 PolarHBondContact O-SG 2.96Å
617	I	38.7	Very low	41	Very low	48 Å²	48	66.1 Å²	66.1	25%	0.246	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.5	172.5	-68.6	165.3	0	0	0	110.7	Y551 C555 G613 C619	Y551-I617 HydrophobicContact CD1-CG2 4.22Å; Y551-I617 HydrophobicContact CE1-CG2 4.08Å; C555-I617 HydrophobicContact CB-CG2 4.11Å; G613-I617 WeakPolarHBondContact O-CB 3.43Å; G613-I617 WeakPolarHBondContact O-CD1 3.27Å; G613-I617 WeakPolarHBondContact O-CG1 3.41Å; G613-I617 PolarHBondContact O-N 2.71Å; I617-C619 PolarHBondContact O-N 3.49Å
618	C	38.5	Very low	41.3	Very low	36 Å²	36	69.5 Å²	69.5	24%	0.243	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	22.6	162.5	-68.1	0	0	0	0	113.1	R552 C614 N615 C616 S620	R552-C618 VanDerWaalsContact CZ-SG 3.53Å; R552-C618 PolarHBondContact NE-SG 3.3Å; R552-C618 PolarHBondContact NH2-SG 2.85Å; C614-C618 WeakPolarHBondContact O-CB 3.46Å; C614-C618 PolarHBondContact O-N 2.96Å; C614-C618 PolarHBondContact O-SG 2.76Å; N615-C618 CarbonylContact O-C 3.25Å; N615-C618 WeakPolarHBondContact O-CA 3.4Å; N615-C618 PolarHBondContact O-N 3Å; C616-C618 VanDerWaalsContact C-N 3.29Å; C618-S620 PolarHBondContact O-N 3.01Å
619	C	39.5	Very low	42	Very low	35 Å²	35	77 Å²	77	24%	0.236	40%	0.398	C	S	.	.			trans	-41.9	137.1	158.6	-103.8	0	0	0	0	110.4	N615 C616 I617 C623	N615-C619 PolarHBondContact O-N 2.86Å; C616-C619 WeakPolarHBondContact O-CB 3.44Å; C616-C619 PolarHBondContact O-N 3.5Å; C616-C619 PolarHBondContact O-SG 2.96Å; I617-C619 PolarHBondContact O-N 3.49Å; C619-C623 HydrophobicContact CB-CB 3.43Å; C619-C623 VanDerWaalsContact CB-CB 3.43Å; C619-C623 WeakPolarHBondContact CB-SG 3.42Å; C619-C623 WeakPolarHBondContact SG-CB 3.42Å; C619-C623 CovalentContact SG-SG 2.03Å; C619-C623 PolarHBondContact SG-SG 2.96Å
620	S	44	Very low	42.7	Very low	62 Å²	62	78 Å²	78	43%	0.434	40%	0.403	S	S	.	.			trans	-59.1	157	165.3	51	0	0	0	0	109.3	C618 Y622 C623 L624	C618-S620 PolarHBondContact O-N 3.01Å; S620-Y622 PolarHBondContact O-N 3.05Å; S620-Y622 VanDerWaalsContact O-N 3.11Å; S620-C623 WeakPolarHBondContact O-CA 3.37Å; S620-C623 WeakPolarHBondContact O-CB 3.23Å; S620-C623 PolarHBondContact O-N 3.47Å; S620-L624 PolarHBondContact O-N 3.44Å
621	D	45.7	Very low	43.3	Very low	56 Å²	56	77.1 Å²	77.1	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-28.2	-175.7	-52.3	-96.5	0	0	0	110.2	K548 C623 L624 M625	K548-D621 IonicContact NZ-OD2 2.74Å; K548-D621 PolarHBondContact NZ-OD2 3.16Å; D621-C623 PolarHBondContact O-N 2.76Å; D621-L624 PolarHBondContact O-N 2.98Å; D621-M625 WeakPolarHBondContact O-CG 3.38Å; D621-M625 PolarHBondContact O-N 3.47Å
622	Y	44.5	Very low	44.2	Very low	177 Å²	177	83.6 Å²	83.6	69%	0.694	42%	0.423	S	S	*	.	H	α-helix	trans	-50.3	-44.1	163.8	-174.8	-97.2	0	0	0	114.8	S620 M625 K626	S620-Y622 PolarHBondContact O-N 3.05Å; S620-Y622 VanDerWaalsContact O-N 3.11Å; Y622-M625 PolarHBondContact O-N 3.25Å; Y622-K626 WeakPolarHBondContact O-CB 3.42Å; Y622-K626 PolarHBondContact O-N 2.95Å
623	C	47.8	Very low	45.1	Very low	30 Å²	30	85.4 Å²	85.4	20%	0.203	43%	0.429	C	S	.	.	H	α-helix	trans	-74.8	-32.8	176.8	158.2	0	0	0	0	112.4	C619 S620 D621 M625 K626 Y627	C619-C623 HydrophobicContact CB-CB 3.43Å; C619-C623 VanDerWaalsContact CB-CB 3.43Å; C619-C623 WeakPolarHBondContact CB-SG 3.42Å; C619-C623 WeakPolarHBondContact SG-CB 3.42Å; C619-C623 CovalentContact SG-SG 2.03Å; C619-C623 PolarHBondContact SG-SG 2.96Å; S620-C623 WeakPolarHBondContact O-CA 3.37Å; S620-C623 WeakPolarHBondContact O-CB 3.23Å; S620-C623 PolarHBondContact O-N 3.47Å; D621-C623 PolarHBondContact O-N 2.76Å; C623-M625 VanDerWaalsContact C-N 3.29Å; C623-M625 PolarHBondContact O-N 2.96Å; C623-K626 PolarHBondContact O-N 3.42Å; C623-Y627 PolarHBondContact O-N 2.95Å; C623-Y627 VanDerWaalsContact O-N 3.1Å
624	L	49.9	Very low	46	Very low	21 Å²	21	86.5 Å²	86.5	11%	0.11	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-34.4	170.7	-78.4	166.5	0	0	0	111.8	Y551 S620 D621 N631	Y551-L624 HydrophobicContact CD1-CD1 4.37Å; Y551-L624 HydrophobicContact CE1-CD1 4.39Å; Y551-L624 HydrophobicContact CE1-CD2 3.91Å; Y551-L624 HydrophobicContact CE2-CD2 3.92Å; Y551-L624 HydrophobicContact CG-CD1 4.49Å; Y551-L624 VanDerWaalsContact CZ-CD2 3.49Å; Y551-L624 WeakPolarHBondContact OH-CD2 3.28Å; S620-L624 PolarHBondContact O-N 3.44Å; D621-L624 PolarHBondContact O-N 2.98Å; L624-N631 HydrophobicContact CD2-CB 4.27Å
625	M	50.7	Low	46.6	Very low	162 Å²	162	88.2 Å²	88.2	80%	0.798	44%	0.438	S	S	*	.	H	α-helix	trans	-70.5	-35.7	168.9	-68.6	-161.7	73.9	0	0	112.9	D621 Y622 C623 Y627	D621-M625 WeakPolarHBondContact O-CG 3.38Å; D621-M625 PolarHBondContact O-N 3.47Å; Y622-M625 PolarHBondContact O-N 3.25Å; C623-M625 VanDerWaalsContact C-N 3.29Å; C623-M625 PolarHBondContact O-N 2.96Å; M625-Y627 VanDerWaalsContact C-N 3.31Å; M625-Y627 PolarHBondContact O-N 3.46Å
626	K	49.4	Very low	47.4	Very low	130 Å²	130	86.9 Å²	86.9	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-68.5	-25.2	179	-164.8	169	-177.2	174.1	0	113.6	Y622 C623	Y622-K626 WeakPolarHBondContact O-CB 3.42Å; Y622-K626 PolarHBondContact O-N 2.95Å; C623-K626 PolarHBondContact O-N 3.42Å
627	Y	53.6	Low	47.8	Very low	131 Å²	131	89.7 Å²	89.7	51%	0.514	44%	0.44	S	S	.	.			trans	-128.4	67.5	-179.6	-64	-76.7	0	0	0	113.2	C623 M625 K629 I630 N631	C623-Y627 PolarHBondContact O-N 2.95Å; C623-Y627 VanDerWaalsContact O-N 3.1Å; M625-Y627 VanDerWaalsContact C-N 3.31Å; M625-Y627 PolarHBondContact O-N 3.46Å; Y627-K629 PolarHBondContact O-N 2.9Å; Y627-K629 VanDerWaalsContact O-N 3.13Å; Y627-I630 HydrophobicContact CG-CD1 4.45Å; Y627-I630 PolarHBondContact O-N 2.89Å; Y627-N631 PolarHBondContact O-N 3.2Å
628	P	53.5	Low	47.9	Very low	77 Å²	77	87.7 Å²	87.7	50%	0.5	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-24.3	-172.5	25.7	-34.9	0	0	0	113.9	N631 R632	P628-N631 PolarHBondContact O-N 3.38Å; P628-R632 PolarHBondContact O-N 2.94Å
629	K	54.8	Low	47.9	Very low	184 Å²	184	87.7 Å²	87.7	80%	0.8	43%	0.429	S	S	*	.	H	α-helix	trans	-62.6	-40.4	173.8	-68.8	-173.5	178	-178	0	112.3	Y627 L633	Y627-K629 PolarHBondContact O-N 2.9Å; Y627-K629 VanDerWaalsContact O-N 3.13Å; K629-L633 PolarHBondContact O-N 3.41Å
630	I	53	Low	47.7	Very low	91 Å²	91	90.2 Å²	90.2	47%	0.467	45%	0.446	S	S	.	.	H	α-helix	trans	-69.2	-41.6	178.1	-62.4	177.4	0	0	0	109.9	Y627 L633 I634	Y627-I630 HydrophobicContact CG-CD1 4.45Å; Y627-I630 PolarHBondContact O-N 2.89Å; I630-L633 PolarHBondContact O-N 3.09Å; I630-I634 HydrophobicContact CG2-CD1 4.01Å; I630-I634 PolarHBondContact O-N 3.27Å
631	N	48.1	Very low	47.4	Very low	37 Å²	37	90.8 Å²	90.8	20%	0.198	45%	0.446	C	S	.	.	H	α-helix	trans	-62.3	-47	176	-165.8	14.7	0	0	0	111.5	L624 Y627 P628 L633 I634 I635	L624-N631 HydrophobicContact CD2-CB 4.27Å; Y627-N631 PolarHBondContact O-N 3.2Å; P628-N631 PolarHBondContact O-N 3.38Å; N631-L633 PolarHBondContact O-N 2.81Å; N631-I634 PolarHBondContact O-N 2.93Å; N631-I635 WeakPolarHBondContact O-CB 3.28Å; N631-I635 VanDerWaalsContact O-CG1 3.25Å; N631-I635 WeakPolarHBondContact O-CG1 3.43Å; N631-I635 PolarHBondContact O-N 3.22Å; N631-I635 WeakPolarHBondContact OD1-CD1 3.38Å
632	R	53.8	Low	46.8	Very low	174 Å²	174	90.6 Å²	90.6	66%	0.657	45%	0.452	S	S	*	.	H	α-helix	trans	-59	-42.6	174.5	-82.1	-170.8	173.8	-172.8	-2	112.8	P628 I635 S636	P628-R632 PolarHBondContact O-N 2.94Å; R632-I635 PolarHBondContact O-N 3.06Å; R632-S636 WeakPolarHBondContact O-CB 2.97Å; R632-S636 PolarHBondContact O-N 2.74Å
633	L	50.8	Low	46.5	Very low	105 Å²	105	89.7 Å²	89.7	55%	0.55	46%	0.458	S	S	.	.	H	α-helix	trans	-59.8	-47.9	176.5	-168.6	84.8	0	0	0	111.3	K629 I630 N631 S636 F637	K629-L633 PolarHBondContact O-N 3.41Å; I630-L633 PolarHBondContact O-N 3.09Å; N631-L633 PolarHBondContact O-N 2.81Å; L633-S636 WeakPolarHBondContact O-CB 3.28Å; L633-S636 PolarHBondContact O-N 2.99Å; L633-F637 HydrophobicContact CD1-CE2 4.27Å; L633-F637 HydrophobicContact CG-CD2 4.23Å; L633-F637 HydrophobicContact CG-CE2 4.21Å; L633-F637 WeakPolarHBondContact O-CD2 3.27Å; L633-F637 PolarHBondContact O-N 3.16Å; L633-F637 VanDerWaalsContact O-N 3.13Å
634	I	47.7	Very low	46.1	Very low	37 Å²	37	97.6 Å²	97.6	19%	0.19	49%	0.489	C	S	.	.	H	α-helix	trans	-73.5	-32.7	-177.6	-71.5	168.8	0	0	0	111.4	Y551 I630 N631 T638	Y551-I634 HydrophobicContact CD2-CG2 4.3Å; Y551-I634 HydrophobicContact CE2-CB 4.11Å; Y551-I634 HydrophobicContact CE2-CG2 3.57Å; Y551-I634 WeakPolarHBondContact OH-CD1 3.46Å; I630-I634 HydrophobicContact CG2-CD1 4.01Å; I630-I634 PolarHBondContact O-N 3.27Å; N631-I634 PolarHBondContact O-N 2.93Å; I634-T638 HydrophobicContact CG2-CG2 4.35Å; I634-T638 VanDerWaalsContact O-CB 3.27Å; I634-T638 WeakPolarHBondContact O-CB 3.15Å; I634-T638 WeakPolarHBondContact O-CG2 3.44Å; I634-T638 PolarHBondContact O-N 2.74Å; I634-T638 PolarHBondContact O-OG1 2.8Å
635	I	48.8	Very low	45.7	Very low	60 Å²	60	100.3 Å²	100.3	31%	0.308	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-49.4	169	-71.2	166.7	0	0	0	110.2	N631 R632 F637 T638 T639	N631-I635 WeakPolarHBondContact O-CB 3.28Å; N631-I635 VanDerWaalsContact O-CG1 3.25Å; N631-I635 WeakPolarHBondContact O-CG1 3.43Å; N631-I635 PolarHBondContact O-N 3.22Å; N631-I635 WeakPolarHBondContact OD1-CD1 3.38Å; R632-I635 PolarHBondContact O-N 3.06Å; I635-F637 PolarHBondContact O-N 3.1Å; I635-T638 CarbonylContact O-C 3.54Å; I635-T638 PolarHBondContact O-N 2.95Å; I635-T638 PolarHBondContact O-OG1 3.34Å; I635-T639 HydrophobicContact CG2-CG2 4.02Å; I635-T639 PolarHBondContact O-N 3.12Å; I635-T639 PolarHBondContact O-OG1 3.41Å; I635-T639 VanDerWaalsContact O-OG1 3.1Å
636	S	49.1	Very low	45.2	Very low	87 Å²	87	99.2 Å²	99.2	61%	0.608	49%	0.494	S	S	*	.	H	α-helix	trans	-53.6	-47.6	178.4	176.6	0	0	0	0	112.8	R632 L633 T638	R632-S636 WeakPolarHBondContact O-CB 2.97Å; R632-S636 PolarHBondContact O-N 2.74Å; L633-S636 WeakPolarHBondContact O-CB 3.28Å; L633-S636 PolarHBondContact O-N 2.99Å; S636-T638 PolarHBondContact O-N 3.23Å
637	F	42.6	Very low	44.6	Very low	143 Å²	143	101 Å²	101	63%	0.627	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.8	176.3	-82	-71.7	0	0	0	115.1	V558 L633 I635	V558-F637 HydrophobicContact CG2-CB 4.43Å; L633-F637 HydrophobicContact CD1-CE2 4.27Å; L633-F637 HydrophobicContact CG-CD2 4.23Å; L633-F637 HydrophobicContact CG-CE2 4.21Å; L633-F637 WeakPolarHBondContact O-CD2 3.27Å; L633-F637 PolarHBondContact O-N 3.16Å; L633-F637 VanDerWaalsContact O-N 3.13Å; I635-F637 PolarHBondContact O-N 3.1Å
638	T	39.7	Very low	43.9	Very low	6 Å²	6	97.1 Å²	97.1	4%	0.037	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	-7.3	-167.9	66.3	0	0	0	0	115.7	F533 R554 V558 I634 I635 S636	F533-T638 VanDerWaalsContact CZ-O 3.31Å; F533-T638 WeakPolarHBondContact CZ-O 3.43Å; R554-T638 HydrophobicContact CB-CG2 3.68Å; R554-T638 WeakPolarHBondContact CD-OG1 3.39Å; R554-T638 HydrophobicContact CG-CG2 4.26Å; R554-T638 PolarHBondContact NH1-OG1 2.78Å; V558-T638 HydrophobicContact CG2-CG2 3.52Å; I634-T638 HydrophobicContact CG2-CG2 4.35Å; I634-T638 VanDerWaalsContact O-CB 3.27Å; I634-T638 WeakPolarHBondContact O-CB 3.15Å; I634-T638 WeakPolarHBondContact O-CG2 3.44Å; I634-T638 PolarHBondContact O-N 2.74Å; I634-T638 PolarHBondContact O-OG1 2.8Å; I635-T638 CarbonylContact O-C 3.54Å; I635-T638 PolarHBondContact O-N 2.95Å; I635-T638 PolarHBondContact O-OG1 3.34Å; S636-T638 PolarHBondContact O-N 3.23Å
639	T	38.3	Very low	43.2	Very low	36 Å²	36	97.4 Å²	97.4	22%	0.221	50%	0.496	C	S	.	.	S	Bend	trans	-90.5	115.4	161.8	44.4	0	0	0	0	109.2	I635 V641	I635-T639 HydrophobicContact CG2-CG2 4.02Å; I635-T639 PolarHBondContact O-N 3.12Å; I635-T639 PolarHBondContact O-OG1 3.41Å; I635-T639 VanDerWaalsContact O-OG1 3.1Å; T639-V641 PolarHBondContact O-N 3.33Å
640	P	36.8	Very low	42.4	Very low	89 Å²	89	95.9 Å²	95.9	58%	0.578	50%	0.496	S	S	*	.			trans	-64.9	109.7	165.3	27.9	-31	0	0	0	107.6	A642	P640-A642 PolarHBondContact O-N 3.41Å
641	V	37	Very low	41.6	Very low	73 Å²	73	98.7 Å²	98.7	44%	0.442	51%	0.507	S	S	.	.			trans	-69.3	102.6	-179	-179.6	0	0	0	0	108.4	T639 K646 L649	T639-V641 PolarHBondContact O-N 3.33Å; V641-K646 HydrophobicContact CG1-CG 3.9Å; V641-L649 HydrophobicContact CG2-CD1 4.18Å
642	A	33.8	Very low	40.7	Very low	52 Å²	52	98.7 Å²	98.7	43%	0.43	52%	0.516	S	S	.	.			trans	-60.7	138.2	167.1	0	0	0	0	0	108.3	P640 K644 D645	P640-A642 PolarHBondContact O-N 3.41Å; A642-K644 PolarHBondContact O-N 3.17Å; A642-D645 PolarHBondContact O-N 2.81Å
643	I	37.6	Very low	39.4	Very low	158 Å²	158	95.2 Å²	95.2	81%	0.81	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.4	-167.5	-67.3	172.2	0	0	0	112.8
644	K	40	Very low	38.5	Very low	196 Å²	196	96.7 Å²	96.7	85%	0.852	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.2	175.1	-67.3	-166.9	172.2	-168.8	0	115.5	A642	A642-K644 PolarHBondContact O-N 3.17Å
645	D	40.6	Very low	37.6	Very low	79 Å²	79	99.2 Å²	99.2	42%	0.422	54%	0.535	S	S	.	.			trans	-96.6	9.2	-171.3	-59.3	-21.1	0	0	0	113.4	A642 E647	A642-D645 PolarHBondContact O-N 2.81Å; D645-E647 VanDerWaalsContact C-N 3.29Å; D645-E647 PolarHBondContact O-N 3.19Å
646	K	39.6	Very low	36.6	Very low	139 Å²	139	101 Å²	101	60%	0.604	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-30.3	-175.4	-85.2	-171.9	170.6	-175.6	0	114.1	V641 L650	V641-K646 HydrophobicContact CG1-CG 3.9Å; K646-L650 VanDerWaalsContact O-CD1 3.28Å; K646-L650 WeakPolarHBondContact O-CD1 3.48Å
647	E	38.2	Very low	36	Very low	167 Å²	167	102.3 Å²	102.3	78%	0.78	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-47.5	-175	-68.4	168.8	178.5	0	0	111.3	D645 L649 L650	D645-E647 VanDerWaalsContact C-N 3.29Å; D645-E647 PolarHBondContact O-N 3.19Å; E647-L649 PolarHBondContact O-N 2.92Å; E647-L649 VanDerWaalsContact O-N 3.09Å; E647-L650 PolarHBondContact O-N 2.88Å; E647-L650 VanDerWaalsContact O-N 3.1Å
648	A	38.3	Very low	35.2	Very low	49 Å²	49	102.2 Å²	102.2	41%	0.405	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.6	-23.4	179.2	0	0	0	0	0	114.1
649	L	38.6	Very low	34.6	Very low	83 Å²	83	114.2 Å²	114.2	44%	0.435	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-18.5	179.1	-113.8	164.9	0	0	0	113.8	V641 E647	V641-L649 HydrophobicContact CG2-CD1 4.18Å; E647-L649 PolarHBondContact O-N 2.92Å; E647-L649 VanDerWaalsContact O-N 3.09Å
650	L	38.6	Very low	34.4	Very low	153 Å²	153	118.1 Å²	118.1	80%	0.801	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-35.3	177.7	-90.2	78	0	0	0	112.7	K646 E647 G652	K646-L650 VanDerWaalsContact O-CD1 3.28Å; K646-L650 WeakPolarHBondContact O-CD1 3.48Å; E647-L650 PolarHBondContact O-N 2.88Å; E647-L650 VanDerWaalsContact O-N 3.1Å; L650-G652 PolarHBondContact O-N 2.88Å
651	E	35.2	Very low	34.3	Very low	150 Å²	150	119.6 Å²	119.6	70%	0.701	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-8.9	-176.6	-58.8	-166.8	135	0	0	113.3	I653	E651-I653 HydrophobicContact CB-CD1 3.99Å; E651-I653 HydrophobicContact CB-CG1 3.98Å; E651-I653 PolarHBondContact O-N 2.98Å; E651-I653 WeakPolarHBondContact OE2-CD1 3.3Å
652	G	30	Very low	34.1	Very low	37 Å²	37	122.2 Å²	122.2	38%	0.381	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.4	7.1	179.9	0	0	0	0	0	114.5	L650	L650-G652 PolarHBondContact O-N 2.88Å
653	I	27.1	Very low	34.2	Very low	101 Å²	101	126.4 Å²	126.4	52%	0.518	66%	0.663	S	S	.	*			trans	-63.6	135.6	174.7	-63.3	175.7	0	0	0	109.3	E651 I655	E651-I653 HydrophobicContact CB-CD1 3.99Å; E651-I653 HydrophobicContact CB-CG1 3.98Å; E651-I653 PolarHBondContact O-N 2.98Å; E651-I653 WeakPolarHBondContact OE2-CD1 3.3Å; I653-I655 PolarHBondContact O-N 3.25Å
654	V	31.7	Very low	33.9	Very low	136 Å²	136	124.4 Å²	124.4	82%	0.824	65%	0.653	S	S	*	*			trans	-69.8	113.3	170.6	177	0	0	0	0	107.5	P656	V654-P656 VanDerWaalsContact O-CD 3.26Å; V654-P656 WeakPolarHBondContact O-CD 3.47Å
655	I	27.9	Very low	33.5	Very low	89 Å²	89	119.6 Å²	119.6	46%	0.456	64%	0.64	S	S	.	*			trans	-46.8	112.1	-176.9	-59.1	171	0	0	0	110.2	I653 V657	I653-I655 PolarHBondContact O-N 3.25Å; I655-V657 PolarHBondContact O-N 3.43Å; I655-V657 VanDerWaalsContact O-N 3.07Å
656	P	29	Very low	33	Very low	97 Å²	97	122.5 Å²	122.5	63%	0.63	66%	0.656	S	S	*	*			trans	-73	104.3	173.8	29.2	-31.4	0	0	0	107.9	V654 L658	V654-P656 VanDerWaalsContact O-CD 3.26Å; V654-P656 WeakPolarHBondContact O-CD 3.47Å; P656-L658 PolarHBondContact O-N 3.36Å
657	V	34.7	Very low	32.5	Very low	116 Å²	116	121.2 Å²	121.2	70%	0.703	66%	0.659	S	S	*	*			trans	-65.1	107.5	173	179.4	0	0	0	0	107.3	I655 Q659	I655-V657 PolarHBondContact O-N 3.43Å; I655-V657 VanDerWaalsContact O-N 3.07Å; V657-Q659 PolarHBondContact O-N 3.16Å
658	L	26.3	Very low	32.1	Very low	140 Å²	140	117.4 Å²	117.4	73%	0.733	65%	0.649	S	S	*	*			trans	-54.7	134.4	-161.5	-66.9	87.1	0	0	0	113.7	P656	P656-L658 PolarHBondContact O-N 3.36Å
659	Q	27.6	Very low	31.5	Very low	258 Å²	258	123.6 Å²	123.6	100%	1.206	67%	0.672	S	S	*	*			trans	45.6	0	158.8	-67.4	176.8	-30.3	0	0	116.4	V657	V657-Q659 PolarHBondContact O-N 3.16Å

Retrieved 659 of 659 residues in 865 ms (Link to these results)

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