A0A3Q0KJT1_SCHMA Loading...

Mesoderm induction early response 1 related

AlphaFold DB , UniProt , Accession A0A3Q0KJT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 668 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	40	Very low	46.4	Very low	238 Å²	238	170.5 Å²	170.5	100%	1.172	87%	0.872	S	S	*	*				0	154.8	0	-89.9	-176.4	158.7	0	0	108.1
2	L	46.3	Very low	46.5	Very low	176 Å²	176	166.4 Å²	166.4	92%	0.921	87%	0.866	S	S	*	*			trans	64.9	123.9	-168.2	-57.6	176.4	0	0	0	114
3	T	45.5	Very low	45.9	Very low	137 Å²	137	159.1 Å²	159.1	84%	0.84	86%	0.855	S	S	*	*			trans	-157.8	106.1	179.8	48.3	0	0	0	0	109.4
4	E	51	Low	46.1	Very low	197 Å²	197	156.9 Å²	156.9	92%	0.921	86%	0.858	S	S	*	*			trans	-135.7	125.5	163.4	-67	-171.7	94.2	0	0	106.4
5	K	50.8	Low	45.6	Very low	187 Å²	187	158.8 Å²	158.8	81%	0.813	86%	0.859	S	S	*	*			cis	96.4	80.3	31.9	-164.8	179.8	-179.8	179.4	0	113.7
6	S	37.9	Very low	45.3	Very low	113 Å²	113	155.4 Å²	155.4	79%	0.79	85%	0.851	S	S	*	*			trans	39.7	119.5	133.2	-45.9	0	0	0	0	119.6
7	R	49.3	Very low	45.4	Very low	249 Å²	249	152.4 Å²	152.4	94%	0.94	84%	0.844	S	S	*	*			trans	-152.2	124.4	145.5	-134.1	169.6	-175.1	151.2	-0.3	113.1
8	E	43.1	Very low	45.1	Very low	167 Å²	167	154.3 Å²	154.3	78%	0.78	85%	0.845	S	S	*	*			trans	-107.6	143.7	165.8	-177.7	-174.6	161.8	0	0	108
9	P	57.7	Low	45.1	Very low	124 Å²	124	156.6 Å²	156.6	81%	0.805	85%	0.849	S	S	*	*			trans	-107.5	118.6	176.8	35.5	-26.2	0	0	0	113
10	T	38.2	Very low	44.8	Very low	120 Å²	120	157.2 Å²	157.2	74%	0.736	85%	0.846	S	S	*	*			trans	-123	128.3	158	-43.8	0	0	0	0	108.5
11	L	51.3	Low	44.6	Very low	167 Å²	167	156 Å²	156	87%	0.874	85%	0.845	S	S	*	*			trans	-139	156.2	171.6	-77.9	178.5	0	0	0	110.7
12	P	46.7	Very low	44.6	Very low	122 Å²	122	151 Å²	151	79%	0.792	82%	0.822	S	S	*	*			trans	-128	169.4	-147.6	41.5	-27.4	0	0	0	115.9
13	G	38.9	Very low	44.4	Very low	71 Å²	71	154 Å²	154	73%	0.732	82%	0.823	S	S	*	*			trans	109.2	124	131.2	0	0	0	0	0	118.2
14	S	48.5	Very low	44.1	Very low	128 Å²	128	150.4 Å²	150.4	90%	0.895	81%	0.814	S	S	*	*			trans	-162.5	151	137.8	-81.6	0	0	0	0	109.9
15	Q	39.1	Very low	43.6	Very low	186 Å²	186	147 Å²	147	87%	0.869	81%	0.809	S	S	*	*			trans	-92.5	161.9	176.5	-64.6	161.4	-39.1	0	0	108.5
16	S	40.7	Very low	43	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	81%	0.811	S	S	*	*				-176.9	177	60.8	-56.9	0	0	0	0	112.5
17	S	47.1	Very low	42.8	Very low	105 Å²	105	144.7 Å²	144.7	73%	0.734	81%	0.811	S	S	*	*			trans	58.9	90.3	155.8	61.7	0	0	0	0	119.7
18	E	39.8	Very low	42.4	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	80%	0.801	S	S	*	*				8.8	128.3	122.1	-57.6	166	126.8	0	0	118.8
19	H	44.9	Very low	42.3	Very low	197 Å²	197	138.7 Å²	138.7	91%	0.912	80%	0.802	S	S	*	*				-156.1	147.8	123.5	-117.7	-77.5	0	0	0	110.9
20	Q	39.8	Very low	41.4	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	80%	0.798	S	S	*	*			trans	-124.7	126.2	-173.6	178.5	-176.7	10.5	0	0	110.7
21	T	41.1	Very low	41.7	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	80%	0.804	S	S	*	*			trans	-150.4	116.9	166.5	48.8	0	0	0	0	110.8
22	D	40.2	Very low	41.2	Very low	131 Å²	131	138.2 Å²	138.2	70%	0.701	80%	0.798	S	S	*	*			trans	-64.9	159	153.2	-65.7	-76.8	0	0	0	110.4
23	Y	40.3	Very low	41	Very low	239 Å²	239	144.1 Å²	144.1	94%	0.937	81%	0.805	S	S	*	*				-179.8	146.8	116.7	-106.6	-79	0	0	0	111
24	G	39.5	Very low	41.2	Very low	63 Å²	63	146 Å²	146	65%	0.649	81%	0.807	S	S	*	*			trans	-89.4	174.2	179.5	0	0	0	0	0	114.2
25	P	42	Very low	41	Very low	126 Å²	126	143.9 Å²	143.9	82%	0.818	80%	0.797	S	S	*	*			trans	-85.6	138.8	-175.4	33.1	-32.8	0	0	0	112.9
26	S	36.9	Very low	41.4	Very low	121 Å²	121	142.6 Å²	142.6	85%	0.846	80%	0.796	S	S	*	*			trans	-164.5	146.7	156.3	-85.4	0	0	0	0	114.3
27	T	35	Very low	41.2	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	80%	0.801	S	S	*	*			trans	-38.6	147.8	171.8	52	0	0	0	0	120.7
28	T	40.7	Very low	41.1	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	80%	0.802	S	S	*	*			trans	-154.8	129.2	140.8	30.8	0	0	0	0	107.9
29	E	39.5	Very low	41.1	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	79%	0.791	S	S	*	*				60.7	140.5	93.7	-61.9	-167.8	120.2	0	0	115.1
30	T	38.6	Very low	41.1	Very low	117 Å²	117	136.3 Å²	136.3	72%	0.718	79%	0.788	S	S	*	*			cis	-169.7	154.9	-5	21.6	0	0	0	0	108.5
31	T	44.6	Very low	41.1	Very low	142 Å²	142	139.5 Å²	139.5	87%	0.871	79%	0.794	S	S	*	*			trans	-168.2	138.4	146.7	-75.1	0	0	0	0	110.7
32	D	41.1	Very low	41.2	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	80%	0.796	S	S	*	*			trans	-66.4	150.4	178.1	-66.1	-76.6	0	0	0	115.5
33	R	43.5	Very low	41.3	Very low	246 Å²	246	142.5 Å²	142.5	93%	0.928	80%	0.804	S	S	*	*				-168.7	164.3	107.2	-100.5	165.8	-169.9	-154.6	0.9	113.7
34	S	43.1	Very low	41.6	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	79%	0.788	S	S	*	*			trans	-100.9	147.8	-151.6	-40.6	0	0	0	0	116.3
35	A	43.7	Very low	41.9	Very low	85 Å²	85	137.2 Å²	137.2	70%	0.702	80%	0.796	S	S	*	*			trans	77.3	160.4	134.7	0	0	0	0	0	121.8
36	D	46.7	Very low	41.9	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	79%	0.793	S	S	*	*			trans	73.3	82.3	159.4	-55.2	-18	0	0	0	120.8
37	N	37.8	Very low	42.2	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	80%	0.798	S	S	*	*			trans	-63.9	163.2	136.9	-140.7	12.1	0	0	0	108.6
38	P	43.5	Very low	42.5	Very low	117 Å²	117	145 Å²	145	76%	0.76	79%	0.794	S	S	*	*			cis	-146.4	171.1	19.7	43.5	-23.9	0	0	0	119.1
39	G	39.6	Very low	42.8	Very low	63 Å²	63	144.1 Å²	144.1	65%	0.649	80%	0.799	S	S	*	*			trans	94.2	136.1	141	0	0	0	0	0	118.1
40	P	45.7	Very low	43	Very low	129 Å²	129	142.2 Å²	142.2	84%	0.838	79%	0.794	S	S	*	*			trans	-83.9	148.3	169.3	34.9	-33.1	0	0	0	111.3
41	Y	40.4	Very low	43.4	Very low	234 Å²	234	140.3 Å²	140.3	92%	0.918	80%	0.797	S	S	*	*			trans	-139.3	157.9	172.5	-121	-92.2	0	0	0	112.8
42	L	43.9	Very low	43.8	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	80%	0.8	S	S	*	*			trans	-102.8	150.1	-165.8	-61	159.9	0	0	0	112.6
43	D	40.7	Very low	44.4	Very low	164 Å²	164	140.9 Å²	140.9	88%	0.877	80%	0.8	S	S	*	*			trans	-154.4	144.6	136.9	-146.7	26	0	0	0	109.1
44	G	46.2	Very low	44.5	Very low	58 Å²	58	136.7 Å²	136.7	60%	0.598	80%	0.796	S	S	*	*			cis	-177.9	-162.7	4.7	0	0	0	0	0	117.1
45	T	47.4	Very low	45	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	79%	0.793	S	S	*	*			trans	72.7	66.4	164.7	-36.1	0	0	0	0	118.4
46	V	42.4	Very low	45.1	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	80%	0.801	S	S	*	*			trans	-13.5	127.5	138.2	176.1	0	0	0	0	115.9
47	R	42.9	Very low	45.1	Very low	250 Å²	250	140.5 Å²	140.5	94%	0.943	80%	0.796	S	S	*	*				-136.9	147.9	125.2	-74	-156.4	175.2	-177.3	0.8	110.3
48	K	40.6	Very low	46	Very low	165 Å²	165	137.6 Å²	137.6	72%	0.717	78%	0.78	S	S	*	*			trans	-135.2	133.3	-173.1	178.5	-174.7	175.8	-175	0	109	D50	K48-D50 WeakPolarHBondContact CE-OD1 3.26Å; K48-D50 IonicContact NZ-OD1 3.36Å; K48-D50 PolarHBondContact NZ-OD1 3.14Å
49	A	47	Very low	46.1	Very low	100 Å²	100	141.5 Å²	141.5	83%	0.826	79%	0.788	S	S	*	*			trans	-149.7	131.4	163.7	0	0	0	0	0	108.3
50	D	44.7	Very low	46.6	Very low	132 Å²	132	146.4 Å²	146.4	71%	0.706	79%	0.787	S	S	*	*			trans	-90.9	153.8	-175.8	-43.2	-100	0	0	0	110.4	K48	K48-D50 WeakPolarHBondContact CE-OD1 3.26Å; K48-D50 IonicContact NZ-OD1 3.36Å; K48-D50 PolarHBondContact NZ-OD1 3.14Å
51	G	45.6	Very low	46.7	Very low	76 Å²	76	147 Å²	147	78%	0.784	78%	0.783	S	S	*	*			trans	-179.8	101.9	177.2	0	0	0	0	0	113.6
52	M	53.3	Low	46.6	Very low	188 Å²	188	142.5 Å²	142.5	93%	0.926	78%	0.78	S	S	*	*			trans	-82.1	143.7	173.1	-51	83.2	132.9	0	0	111.1
53	S	53.2	Low	46.5	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	77%	0.774	S	S	*	*			trans	-156.3	121.3	134.7	-157.2	0	0	0	0	109.2
54	D	47.4	Very low	46.8	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	77%	0.768	S	S	*	*			trans	-68.1	146.9	146.6	-66.6	-58.9	0	0	0	107.5
55	S	51.7	Low	47	Very low	100 Å²	100	142.8 Å²	142.8	70%	0.699	78%	0.776	S	S	*	*			trans	-159.5	105.1	163.2	58.6	0	0	0	0	108.4
56	D	47	Very low	47.3	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	78%	0.779	S	S	*	*			trans	-55.2	138.4	167.8	-49.2	-84.9	0	0	0	109.5
57	F	46.7	Very low	47.8	Very low	167 Å²	167	144.6 Å²	144.6	73%	0.732	78%	0.776	S	S	*	*			trans	-136.9	99.4	170.4	-170.6	-106	0	0	0	110.9
58	D	55.5	Low	48.5	Very low	91 Å²	91	140.7 Å²	140.7	49%	0.487	77%	0.774	S	S	.	*			trans	44	103.6	156.5	-62.8	4.5	0	0	0	118.4	R60	D58-R60 PolarHBondContact O-N 3.49Å; D58-R60 IonicContact OD2-CZ 3.44Å; D58-R60 IonicContact OD2-NE 2.75Å; D58-R60 PolarHBondContact OD2-NE 3.49Å; D58-R60 IonicContact OD2-NH2 2.66Å; D58-R60 PolarHBondContact OD2-NH2 3.39Å
59	E	46.3	Very low	49.5	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	77%	0.767	S	S	*	*			trans	-49	125.6	136.4	-62	179.9	135.7	0	0	108.6
60	R	50.7	Low	49.8	Very low	166 Å²	166	138.8 Å²	138.8	63%	0.626	76%	0.763	S	S	*	*			trans	-146.7	118.2	166.2	-120.1	-175.9	-77.2	167.4	-3.7	112.5	D58	D58-R60 PolarHBondContact O-N 3.49Å; D58-R60 IonicContact OD2-CZ 3.44Å; D58-R60 IonicContact OD2-NE 2.75Å; D58-R60 PolarHBondContact OD2-NE 3.49Å; D58-R60 IonicContact OD2-NH2 2.66Å; D58-R60 PolarHBondContact OD2-NH2 3.39Å
61	D	46.8	Very low	50.5	Low	141 Å²	141	136 Å²	136	75%	0.754	75%	0.752	S	S	*	*			trans	53.8	84.8	154.5	-52.5	-31.3	0	0	0	117.2	S63	D61-S63 PolarHBondContact O-N 3Å
62	V	37.9	Very low	51.2	Low	140 Å²	140	138.9 Å²	138.9	85%	0.848	76%	0.757	S	S	*	*			trans	-47.7	112.1	152.9	-83.1	0	0	0	0	112.2	V64	V62-V64 HydrophobicContact CB-CG2 4.25Å
63	S	42.5	Very low	51.4	Low	104 Å²	104	137.9 Å²	137.9	73%	0.727	75%	0.75	S	S	*	*			trans	-98.4	105.1	154.8	54.8	0	0	0	0	108.4	D61 E65	D61-S63 PolarHBondContact O-N 3Å; S63-E65 PolarHBondContact O-N 3.21Å
64	V	47.3	Very low	51.6	Low	125 Å²	125	140.6 Å²	140.6	76%	0.758	75%	0.751	S	S	*	*			trans	-95.4	81.9	179.5	-177.5	0	0	0	0	107.9	V62	V62-V64 HydrophobicContact CB-CG2 4.25Å
65	E	50.7	Low	51.8	Low	163 Å²	163	140.8 Å²	140.8	76%	0.762	75%	0.752	S	S	*	*			trans	-140	52.9	-170.3	-54.7	-67.6	168.5	0	0	110.8	S63	S63-E65 PolarHBondContact O-N 3.21Å
66	D	52.6	Low	52.1	Low	166 Å²	166	139.3 Å²	139.3	89%	0.888	75%	0.746	S	S	*	*			trans	-145.2	73.1	169.6	-81.5	-49.6	0	0	0	107.7
67	D	52.9	Low	52.8	Low	131 Å²	131	135.1 Å²	135.1	70%	0.701	73%	0.734	S	S	*	*			trans	-111.5	97.6	176.7	-176.4	4.9	0	0	0	108.8	S69	D67-S69 PolarHBondContact O-N 2.86Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.38Å; D67-S69 PolarHBondContact OD1-N 3.06Å; D67-S69 PolarHBondContact OD1-OG 3.44Å
68	D	59	Low	54.1	Low	168 Å²	168	132.7 Å²	132.7	90%	0.898	73%	0.729	S	S	*	*			trans	-69.7	38.7	176.8	-75	-47	0	0	0	112.9	I70	D68-I70 PolarHBondContact O-N 3.38Å
69	S	60.3	Low	55.3	Low	82 Å²	82	135.4 Å²	135.4	57%	0.573	74%	0.739	S	S	*	*			trans	-83.2	92.8	175	-74.3	0	0	0	0	110.4	D67	D67-S69 PolarHBondContact O-N 2.86Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.38Å; D67-S69 PolarHBondContact OD1-N 3.06Å; D67-S69 PolarHBondContact OD1-OG 3.44Å
70	I	54.8	Low	56.9	Low	143 Å²	143	133.6 Å²	133.6	73%	0.733	73%	0.73	S	S	*	*			trans	-47.4	126.4	171.8	-60.9	173.7	0	0	0	109.8	D68	D68-I70 PolarHBondContact O-N 3.38Å
71	P	58.1	Low	58.2	Low	75 Å²	75	131.4 Å²	131.4	49%	0.487	73%	0.727	S	S	.	*			trans	-60.6	128.7	-179.3	-24.6	34.7	0	0	0	111.8	E73 E74	P71-E73 PolarHBondContact O-N 3.43Å; P71-E74 PolarHBondContact O-N 3.36Å
72	P	60.3	Low	59.8	Low	135 Å²	135	127.7 Å²	127.7	88%	0.877	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	30.5	-179.3	33.7	-37.9	0	0	0	113.3
73	E	58.6	Low	62	Low	168 Å²	168	124.5 Å²	124.5	79%	0.785	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-18.5	-179.1	-164.2	161	-157.3	0	0	111.6	P71	P71-E73 PolarHBondContact O-N 3.43Å
74	E	55.8	Low	64	Low	163 Å²	163	122.2 Å²	122.2	76%	0.762	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-14.2	177	-61.7	-170.7	133.4	0	0	113.9	P71 A76	P71-E74 PolarHBondContact O-N 3.36Å; E74-A76 VanDerWaalsContact C-N 3.3Å
75	D	52.7	Low	65.7	Low	164 Å²	164	120.4 Å²	120.4	88%	0.877	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	6.3	177.4	-142.4	8.6	0	0	0	112.2	A77	D75-A77 PolarHBondContact O-N 2.83Å
76	A	56.9	Low	67.5	Low	69 Å²	69	116.2 Å²	116.2	57%	0.57	65%	0.648	S	S	*	*			trans	-90.2	90.7	176.9	0	0	0	0	0	110.4	E74 D78	E74-A76 VanDerWaalsContact C-N 3.3Å; A76-D78 PolarHBondContact O-N 3.36Å
77	A	62.5	Low	69.2	Low	77 Å²	77	115 Å²	115	64%	0.636	64%	0.635	S	S	*	*			trans	-53.5	129.2	173.9	0	0	0	0	0	111.2	D75 E79	D75-A77 PolarHBondContact O-N 2.83Å; A77-E79 PolarHBondContact O-N 2.89Å
78	D	74.5	Confident	71	Confident	116 Å²	116	111.4 Å²	111.4	62%	0.62	61%	0.614	S	S	*	*			trans	-56.7	105.7	-172.8	-86	-46.3	0	0	0	111.9	A76 E80 E81 V82	A76-D78 PolarHBondContact O-N 3.36Å; D78-E80 PolarHBondContact O-N 3.07Å; D78-E81 HydrophobicContact CB-CB 3.92Å; D78-E81 WeakPolarHBondContact O-CA 3.47Å; D78-E81 PolarHBondContact O-N 3.11Å; D78-V82 PolarHBondContact O-N 2.72Å
79	E	79.7	Confident	72.4	Confident	149 Å²	149	107.1 Å²	107.1	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-58	-23.2	178.3	-70.5	-82	-166.4	0	0	112	A77 S83	A77-E79 PolarHBondContact O-N 2.89Å; E79-S83 WeakPolarHBondContact O-CB 3.44Å; E79-S83 PolarHBondContact O-N 3.48Å; E79-S83 PolarHBondContact O-OG 3.47Å
80	E	80.2	Confident	73.8	Confident	161 Å²	161	110.5 Å²	110.5	75%	0.752	60%	0.604	S	S	*	*	H	α-helix	trans	-76.6	-36.1	171.8	-174.2	161.7	-164.2	0	0	113	D78 S84	D78-E80 PolarHBondContact O-N 3.07Å; E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.36Å; E80-S84 PolarHBondContact O-N 3.03Å; E80-S84 PolarHBondContact O-OG 2.68Å
81	E	79.1	Confident	75.3	Confident	119 Å²	119	105.7 Å²	105.7	56%	0.556	58%	0.579	S	S	*	*	H	α-helix	trans	-67.7	-48.6	170.4	-170.9	-174.5	-166.8	0	0	110.1	D78 S83 S84 L85	D78-E81 HydrophobicContact CB-CB 3.92Å; D78-E81 WeakPolarHBondContact O-CA 3.47Å; D78-E81 PolarHBondContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.29Å; E81-S83 PolarHBondContact O-N 3.1Å; E81-S84 CarbonylContact O-C 3.5Å; E81-S84 WeakPolarHBondContact O-CA 3.28Å; E81-S84 WeakPolarHBondContact O-CB 3.31Å; E81-S84 PolarHBondContact O-N 3.01Å; E81-L85 HydrophobicContact CG-CD1 4.02Å; E81-L85 HydrophobicContact CG-CG 4.28Å; E81-L85 WeakPolarHBondContact O-CG 3.4Å; E81-L85 PolarHBondContact O-N 2.71Å
82	V	78.8	Confident	76.8	Confident	64 Å²	64	105 Å²	105	39%	0.388	58%	0.576	S	S	.	*	H	α-helix	trans	-57.8	-43.7	177.3	179.8	0	0	0	0	110.6	D78 S84 L85 V86	D78-V82 PolarHBondContact O-N 2.72Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 2.95Å; V82-L85 PolarHBondContact O-N 3.09Å; V82-V86 HydrophobicContact CG1-CG2 4.49Å; V82-V86 WeakPolarHBondContact O-CB 3.38Å; V82-V86 VanDerWaalsContact O-CG2 3.26Å; V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.14Å
83	S	84	Confident	78	Confident	73 Å²	73	104.5 Å²	104.5	51%	0.51	57%	0.565	S	S	.	*	H	α-helix	trans	-62.6	-36.5	173.9	-67.8	0	0	0	0	113	E79 E81 K87	E79-S83 WeakPolarHBondContact O-CB 3.44Å; E79-S83 PolarHBondContact O-N 3.48Å; E79-S83 PolarHBondContact O-OG 3.47Å; E81-S83 VanDerWaalsContact C-N 3.29Å; E81-S83 PolarHBondContact O-N 3.1Å; S83-K87 WeakPolarHBondContact O-CB 3.41Å; S83-K87 PolarHBondContact O-N 3Å
84	S	84.7	Confident	79.3	Confident	56 Å²	56	101.4 Å²	101.4	39%	0.392	55%	0.554	S	S	.	*	H	α-helix	trans	-71.6	-41.5	178.3	-62.9	0	0	0	0	112.2	E80 E81 V82 K87 E88	E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.36Å; E80-S84 PolarHBondContact O-N 3.03Å; E80-S84 PolarHBondContact O-OG 2.68Å; E81-S84 CarbonylContact O-C 3.5Å; E81-S84 WeakPolarHBondContact O-CA 3.28Å; E81-S84 WeakPolarHBondContact O-CB 3.31Å; E81-S84 PolarHBondContact O-N 3.01Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 2.95Å; S84-K87 WeakPolarHBondContact O-CB 3.3Å; S84-K87 PolarHBondContact O-N 3.05Å; S84-E88 PolarHBondContact O-N 3.35Å
85	L	83.9	Confident	80.8	Confident	87 Å²	87	97.9 Å²	97.9	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-43.3	173.8	-67.2	171.3	0	0	0	111.7	E81 V82 K87 E88 S89	E81-L85 HydrophobicContact CG-CD1 4.02Å; E81-L85 HydrophobicContact CG-CG 4.28Å; E81-L85 WeakPolarHBondContact O-CG 3.4Å; E81-L85 PolarHBondContact O-N 2.71Å; V82-L85 PolarHBondContact O-N 3.09Å; L85-K87 PolarHBondContact O-N 2.79Å; L85-E88 PolarHBondContact O-N 3.1Å; L85-S89 WeakPolarHBondContact O-CB 3.26Å; L85-S89 PolarHBondContact O-N 3.12Å; L85-S89 PolarHBondContact O-OG 3.46Å
86	V	88.4	Confident	82.5	Confident	75 Å²	75	92 Å²	92	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-33.2	173.3	167.2	0	0	0	0	111.3	V82 S89 Q90	V82-V86 HydrophobicContact CG1-CG2 4.49Å; V82-V86 WeakPolarHBondContact O-CB 3.38Å; V82-V86 VanDerWaalsContact O-CG2 3.26Å; V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.14Å; V86-S89 PolarHBondContact O-OG 3Å; V86-Q90 PolarHBondContact O-NE2 3.23Å
87	K	87.7	Confident	83.9	Confident	140 Å²	140	91 Å²	91	61%	0.609	49%	0.49	S	S	*	.	H	α-helix	trans	-71.1	-52.3	173.8	-174.8	-176.1	174.8	-167.9	0	111.9	S83 S84 L85 S89 Q90 M91	S83-K87 WeakPolarHBondContact O-CB 3.41Å; S83-K87 PolarHBondContact O-N 3Å; S84-K87 WeakPolarHBondContact O-CB 3.3Å; S84-K87 PolarHBondContact O-N 3.05Å; L85-K87 PolarHBondContact O-N 2.79Å; K87-S89 VanDerWaalsContact C-N 3.27Å; K87-S89 PolarHBondContact O-N 3.4Å; K87-Q90 PolarHBondContact O-N 3.46Å; K87-M91 HydrophobicContact CG-SD 4.26Å; K87-M91 WeakPolarHBondContact O-CG 3.44Å; K87-M91 PolarHBondContact O-N 3.29Å
88	E	90	Very high	85	Confident	56 Å²	56	90.7 Å²	90.7	26%	0.262	49%	0.488	S	S	.	.	H	α-helix	trans	-57.1	-39.3	177.7	-81.1	-170.2	-145.8	0	0	112.1	S84 L85 Q90 M91 L96 I99 Y100	S84-E88 PolarHBondContact O-N 3.35Å; L85-E88 PolarHBondContact O-N 3.1Å; E88-Q90 PolarHBondContact O-N 3.28Å; E88-Q90 VanDerWaalsContact O-N 3.09Å; E88-M91 PolarHBondContact O-N 3.11Å; E88-M91 VanDerWaalsContact O-N 3.08Å; E88-L96 HydrophobicContact CB-CD2 3.94Å; E88-L96 HydrophobicContact CG-CD2 4Å; E88-I99 HydrophobicContact CG-CD1 4.4Å; E88-Y100 PolarHBondContact OE1-OH 3.01Å; E88-Y100 WeakPolarHBondContact OE2-CE2 3.44Å; E88-Y100 PolarHBondContact OE2-OH 3.45Å
89	S	89	Confident	85.5	Confident	78 Å²	78	89.2 Å²	89.2	55%	0.545	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-17	177.1	73	0	0	0	0	115.3	L85 V86 K87	L85-S89 WeakPolarHBondContact O-CB 3.26Å; L85-S89 PolarHBondContact O-N 3.12Å; L85-S89 PolarHBondContact O-OG 3.46Å; V86-S89 PolarHBondContact O-OG 3Å; K87-S89 VanDerWaalsContact C-N 3.27Å; K87-S89 PolarHBondContact O-N 3.4Å
90	Q	90.2	Very high	85.8	Confident	153 Å²	153	87.2 Å²	87.2	72%	0.715	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-7.7	178.1	-71.3	173.3	76.7	0	0	113.3	V86 K87 E88	V86-Q90 PolarHBondContact O-NE2 3.23Å; K87-Q90 PolarHBondContact O-N 3.46Å; E88-Q90 PolarHBondContact O-N 3.28Å; E88-Q90 VanDerWaalsContact O-N 3.09Å
91	M	85.2	Confident	85.9	Confident	41 Å²	41	82.5 Å²	82.5	20%	0.202	46%	0.461	C	S	.	.	S	Bend	trans	-80.8	150.3	-176.8	-68.1	173.5	76	0	0	111.2	K87 E88 E95 L96 I99	K87-M91 HydrophobicContact CG-SD 4.26Å; K87-M91 WeakPolarHBondContact O-CG 3.44Å; K87-M91 PolarHBondContact O-N 3.29Å; E88-M91 PolarHBondContact O-N 3.11Å; E88-M91 VanDerWaalsContact O-N 3.08Å; M91-E95 HydrophobicContact CB-CB 4.44Å; M91-E95 HydrophobicContact CB-CG 4.46Å; M91-E95 HydrophobicContact CE-CB 4.44Å; M91-E95 HydrophobicContact CE-CG 3.56Å; M91-L96 HydrophobicContact CB-CD2 4.19Å; M91-L96 HydrophobicContact CB-CG 4.07Å; M91-I99 HydrophobicContact CE-CD1 3.32Å; M91-I99 HydrophobicContact CE-CG1 4.11Å; M91-I99 HydrophobicContact SD-CD1 3.72Å
92	S	89.9	Confident	85.8	Confident	62 Å²	62	81.2 Å²	81.2	43%	0.434	46%	0.457	S	S	.	.			trans	-73.2	157.2	177.9	61.4	0	0	0	0	111.4	D94 E95 L96	S92-D94 VanDerWaalsContact C-N 3.29Å; S92-D94 PolarHBondContact O-N 3.14Å; S92-E95 PolarHBondContact N-OE2 3.11Å; S92-E95 WeakPolarHBondContact O-CA 3.41Å; S92-E95 VanDerWaalsContact O-CB 3.31Å; S92-E95 WeakPolarHBondContact O-CB 3.45Å; S92-E95 PolarHBondContact O-N 3.16Å; S92-E95 VanDerWaalsContact OG-CB 3.27Å; S92-E95 WeakPolarHBondContact OG-CB 3.3Å; S92-E95 PolarHBondContact OG-OE2 3.08Å; S92-L96 PolarHBondContact O-N 2.8Å
93	L	85.1	Confident	85.4	Confident	123 Å²	123	82.3 Å²	82.3	64%	0.644	47%	0.466	S	S	*	.	H	α-helix	trans	-57.6	-42.6	-177.8	-179.6	61.4	0	0	0	111.8	E95 L96 L97	L93-E95 PolarHBondContact O-N 3.2Å; L93-L96 PolarHBondContact O-N 3.21Å; L93-L97 HydrophobicContact CD1-CD1 4.4Å; L93-L97 HydrophobicContact CD1-CG 4.26Å; L93-L97 HydrophobicContact CG-CD1 4.07Å; L93-L97 HydrophobicContact CG-CG 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.23Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.09Å
94	D	86.3	Confident	84.1	Confident	103 Å²	103	81.4 Å²	81.4	55%	0.551	46%	0.463	S	S	*	.	H	α-helix	trans	-63.2	-27.6	177.5	-56.5	-51.6	0	0	0	112.9	S92 A98 A104	S92-D94 VanDerWaalsContact C-N 3.29Å; S92-D94 PolarHBondContact O-N 3.14Å; D94-A98 WeakPolarHBondContact O-CB 3.24Å; D94-A98 PolarHBondContact O-N 3.02Å; D94-A104 HydrophobicContact CB-CB 4.34Å
95	E	87.8	Confident	82.4	Confident	89 Å²	89	86.1 Å²	86.1	42%	0.416	48%	0.483	S	S	.	.	H	α-helix	trans	-84.5	-37.2	-178.3	-160.4	-174.4	178.8	0	0	111.6	M91 S92 L93 A98 I99	M91-E95 HydrophobicContact CB-CB 4.44Å; M91-E95 HydrophobicContact CB-CG 4.46Å; M91-E95 HydrophobicContact CE-CB 4.44Å; M91-E95 HydrophobicContact CE-CG 3.56Å; S92-E95 PolarHBondContact N-OE2 3.11Å; S92-E95 WeakPolarHBondContact O-CA 3.41Å; S92-E95 VanDerWaalsContact O-CB 3.31Å; S92-E95 WeakPolarHBondContact O-CB 3.45Å; S92-E95 PolarHBondContact O-N 3.16Å; S92-E95 VanDerWaalsContact OG-CB 3.27Å; S92-E95 WeakPolarHBondContact OG-CB 3.3Å; S92-E95 PolarHBondContact OG-OE2 3.08Å; L93-E95 PolarHBondContact O-N 3.2Å; E95-A98 WeakPolarHBondContact O-CB 3.49Å; E95-A98 PolarHBondContact O-N 3.48Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.24Å
96	L	88.9	Confident	80.5	Confident	41 Å²	41	86.7 Å²	86.7	22%	0.215	50%	0.495	C	S	.	.	H	α-helix	trans	-63.1	-49.1	166.4	-72.5	169.8	0	0	0	110.7	E88 M91 S92 L93 A98 I99 Y100	E88-L96 HydrophobicContact CB-CD2 3.94Å; E88-L96 HydrophobicContact CG-CD2 4Å; M91-L96 HydrophobicContact CB-CD2 4.19Å; M91-L96 HydrophobicContact CB-CG 4.07Å; S92-L96 PolarHBondContact O-N 2.8Å; L93-L96 PolarHBondContact O-N 3.21Å; L96-A98 PolarHBondContact O-N 3.31Å; L96-I99 HydrophobicContact CD2-CD1 4.24Å; L96-I99 WeakPolarHBondContact O-CB 3.24Å; L96-I99 PolarHBondContact O-N 3.49Å; L96-Y100 HydrophobicContact CD2-CE2 4.47Å; L96-Y100 VanDerWaalsContact O-CD2 3.29Å; L96-Y100 WeakPolarHBondContact O-CD2 3.25Å; L96-Y100 PolarHBondContact O-N 2.93Å
97	L	84.9	Confident	78.4	Confident	47 Å²	47	94.3 Å²	94.3	25%	0.246	52%	0.517	C	S	.	.	H	α-helix	trans	-56	-37.8	175.2	-69.3	173.6	0	0	0	111.2	L93 Y100 G101 I102	L93-L97 HydrophobicContact CD1-CD1 4.4Å; L93-L97 HydrophobicContact CD1-CG 4.26Å; L93-L97 HydrophobicContact CG-CD1 4.07Å; L93-L97 HydrophobicContact CG-CG 4.38Å; L93-L97 WeakPolarHBondContact O-CB 3.23Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 3.09Å; L97-Y100 CarbonylContact O-C 3.4Å; L97-Y100 PolarHBondContact O-N 2.84Å; L97-G101 PolarHBondContact O-N 2.77Å; L97-I102 CarbonylContact C-O 3.59Å; L97-I102 HydrophobicContact CB-CB 4.19Å; L97-I102 HydrophobicContact CD2-CB 3.88Å; L97-I102 HydrophobicContact CD2-CD1 3.82Å; L97-I102 HydrophobicContact CD2-CG1 4.41Å; L97-I102 HydrophobicContact CD2-CG2 3.92Å; L97-I102 PolarHBondContact O-N 3.47Å; L97-I102 VanDerWaalsContact O-O 3.11Å
98	A	86.3	Confident	75.9	Confident	72 Å²	72	90.5 Å²	90.5	60%	0.595	52%	0.518	S	S	*	.	H	α-helix	trans	-65.9	-39.1	173.8	0	0	0	0	0	114.1	D94 E95 L96 G101	D94-A98 WeakPolarHBondContact O-CB 3.24Å; D94-A98 PolarHBondContact O-N 3.02Å; E95-A98 WeakPolarHBondContact O-CB 3.49Å; E95-A98 PolarHBondContact O-N 3.48Å; L96-A98 PolarHBondContact O-N 3.31Å; A98-G101 PolarHBondContact O-N 3.13Å
99	I	85.4	Confident	73.2	Confident	85 Å²	85	96.5 Å²	96.5	44%	0.436	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-51.8	171.8	-67.4	160.9	0	0	0	110.2	E88 M91 E95 L96 G101	E88-I99 HydrophobicContact CG-CD1 4.4Å; M91-I99 HydrophobicContact CE-CD1 3.32Å; M91-I99 HydrophobicContact CE-CG1 4.11Å; M91-I99 HydrophobicContact SD-CD1 3.72Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.24Å; L96-I99 HydrophobicContact CD2-CD1 4.24Å; L96-I99 WeakPolarHBondContact O-CB 3.24Å; L96-I99 PolarHBondContact O-N 3.49Å; I99-G101 PolarHBondContact O-N 2.71Å; I99-G101 VanDerWaalsContact O-N 3.13Å
100	Y	86.5	Confident	70.5	Confident	106 Å²	106	100.6 Å²	100.6	42%	0.416	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	13.3	-174.8	-68.2	-81.3	0	0	0	113.5	E88 L96 L97 I102 R668	E88-Y100 PolarHBondContact OE1-OH 3.01Å; E88-Y100 WeakPolarHBondContact OE2-CE2 3.44Å; E88-Y100 PolarHBondContact OE2-OH 3.45Å; L96-Y100 HydrophobicContact CD2-CE2 4.47Å; L96-Y100 VanDerWaalsContact O-CD2 3.29Å; L96-Y100 WeakPolarHBondContact O-CD2 3.25Å; L96-Y100 PolarHBondContact O-N 2.93Å; L97-Y100 CarbonylContact O-C 3.4Å; L97-Y100 PolarHBondContact O-N 2.84Å; Y100-I102 VanDerWaalsContact C-N 3.3Å; Y100-I102 PolarHBondContact O-N 3.37Å; Y100-R668 PolarHBondContact OH-NH2 2.66Å
101	G	81.1	Confident	68	Low	63 Å²	63	98.8 Å²	98.8	65%	0.649	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.8	15.5	172.4	0	0	0	0	0	115.5	L97 A98 I99	L97-G101 PolarHBondContact O-N 2.77Å; A98-G101 PolarHBondContact O-N 3.13Å; I99-G101 PolarHBondContact O-N 2.71Å; I99-G101 VanDerWaalsContact O-N 3.13Å
102	I	78.2	Confident	65.9	Low	91 Å²	91	104.4 Å²	104.4	47%	0.467	60%	0.596	S	S	.	*			trans	-95.1	115.1	-178.4	-54.3	175.9	0	0	0	109	L97 Y100 A104	L97-I102 CarbonylContact C-O 3.59Å; L97-I102 HydrophobicContact CB-CB 4.19Å; L97-I102 HydrophobicContact CD2-CB 3.88Å; L97-I102 HydrophobicContact CD2-CD1 3.82Å; L97-I102 HydrophobicContact CD2-CG1 4.41Å; L97-I102 HydrophobicContact CD2-CG2 3.92Å; L97-I102 PolarHBondContact O-N 3.47Å; L97-I102 VanDerWaalsContact O-O 3.11Å; Y100-I102 VanDerWaalsContact C-N 3.3Å; Y100-I102 PolarHBondContact O-N 3.37Å; I102-A104 PolarHBondContact O-N 2.91Å
103	P	70.3	Confident	63.3	Low	87 Å²	87	107.6 Å²	107.6	57%	0.565	61%	0.614	S	S	*	*			trans	-70.4	125.6	-179	27.9	-33.7	0	0	0	111	N105	P103-N105 PolarHBondContact O-N 3.29Å
104	A	56.3	Low	60.9	Low	54 Å²	54	106.7 Å²	106.7	45%	0.446	62%	0.624	S	S	.	*	S	Bend	trans	-71.7	42.6	-177.7	0	0	0	0	0	114.6	D94 I102	D94-A104 HydrophobicContact CB-CB 4.34Å; I102-A104 PolarHBondContact O-N 2.91Å
105	N	48.5	Very low	58.5	Low	155 Å²	155	106.9 Å²	106.9	83%	0.829	64%	0.639	S	S	*	*			trans	-148.6	91.1	-179.8	-103.7	-41.6	0	0	0	111.6	P103	P103-N105 PolarHBondContact O-N 3.29Å
106	S	45.3	Very low	56.1	Low	99 Å²	99	106.1 Å²	106.1	69%	0.692	66%	0.656	S	S	*	*			trans	-153.2	-25.1	169.4	63.8	0	0	0	0	114.6	G108	S106-G108 PolarHBondContact O-N 3.36Å
107	Y	43	Very low	53.5	Low	235 Å²	235	112 Å²	112	92%	0.922	69%	0.687	S	S	*	*			trans	-76.2	62.7	179.3	-72.6	-74.6	0	0	0	113.6	H109	Y107-H109 PolarHBondContact O-N 3.33Å
108	G	35.4	Very low	51.1	Low	61 Å²	61	116.2 Å²	116.2	63%	0.629	72%	0.719	S	S	*	*			trans	-78.6	96.3	177.1	0	0	0	0	0	113.8	S106	S106-G108 PolarHBondContact O-N 3.36Å
109	H	33.4	Very low	48.9	Very low	181 Å²	181	117.8 Å²	117.8	84%	0.838	73%	0.726	S	S	*	*			trans	45.8	87.3	136.4	-136.4	-79.8	0	0	0	117.8	Y107	Y107-H109 PolarHBondContact O-N 3.33Å
110	N	33.1	Very low	46.3	Very low	164 Å²	164	122 Å²	122	88%	0.877	75%	0.749	S	S	*	*			trans	-150	71.1	167.7	-96.8	-52.3	0	0	0	112.9
111	S	38.2	Very low	44.1	Very low	115 Å²	115	122.5 Å²	122.5	80%	0.804	76%	0.763	S	S	*	*			trans	-158	93.5	165	61.4	0	0	0	0	111.2
112	D	39.9	Very low	42.2	Very low	159 Å²	159	125 Å²	125	85%	0.85	77%	0.771	S	S	*	*			trans	-81	131.4	176.7	-101.4	-48.1	0	0	0	112.7
113	T	34.9	Very low	40.2	Very low	130 Å²	130	133 Å²	133	80%	0.798	80%	0.795	S	S	*	*			trans	56	91.1	146.1	-53.3	0	0	0	0	119.2
114	A	35.4	Very low	38.5	Very low	104 Å²	104	132 Å²	132	86%	0.86	80%	0.801	S	S	*	*			trans	-152.6	47.3	155	0	0	0	0	0	113.6	G116	A114-G116 PolarHBondContact O-N 3.06Å; A114-G116 VanDerWaalsContact O-N 3.1Å
115	A	35	Very low	37.8	Very low	106 Å²	106	139.6 Å²	139.6	88%	0.876	82%	0.824	S	S	*	*			trans	-76.7	95.7	-176.8	0	0	0	0	0	113.2
116	G	37.4	Very low	37.4	Very low	74 Å²	74	138.1 Å²	138.1	76%	0.763	83%	0.826	S	S	*	*			trans	-102.6	111.6	172.9	0	0	0	0	0	112.9	A114	A114-G116 PolarHBondContact O-N 3.06Å; A114-G116 VanDerWaalsContact O-N 3.1Å
117	N	34.8	Very low	37.2	Very low	163 Å²	163	136.9 Å²	136.9	87%	0.872	83%	0.829	S	S	*	*			trans	-66.2	134.4	178.8	-74.6	-16.4	0	0	0	113.1
118	C	34.9	Very low	37	Very low	137 Å²	137	136.3 Å²	136.3	93%	0.926	83%	0.825	S	S	*	*			trans	-145.5	141.9	143	-97.3	0	0	0	0	110.2
119	S	40.2	Very low	37.1	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	83%	0.829	S	S	*	*			trans	-108.8	145.2	-161.9	50.7	0	0	0	0	114.3
120	N	31.8	Very low	37.5	Very low	173 Å²	173	139.7 Å²	139.7	93%	0.925	83%	0.826	S	S	*	*			trans	-61	132.1	167.5	-77.1	-46.7	0	0	0	111.5
121	V	39.7	Very low	37.6	Very low	116 Å²	116	137 Å²	137	70%	0.703	82%	0.82	S	S	*	*			trans	-136.6	121.4	176.8	177.6	0	0	0	0	112.4
122	S	40.9	Very low	37.7	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	82%	0.822	S	S	*	*			trans	67.2	109.8	155.9	-63.1	0	0	0	0	121.6
123	R	35.1	Very low	37.5	Very low	258 Å²	258	142.2 Å²	142.2	97%	0.974	82%	0.821	S	S	*	*			trans	-81.4	157	154.3	-93.1	178.1	165.1	160.3	-4.7	112.3
124	G	35.7	Very low	37.8	Very low	67 Å²	67	145.4 Å²	145.4	69%	0.691	83%	0.826	S	S	*	*			trans	160.4	118.2	156.2	0	0	0	0	0	110.5
125	K	42.1	Very low	37.7	Very low	214 Å²	214	145.3 Å²	145.3	93%	0.93	82%	0.815	S	S	*	*				-167.1	167.8	57	-76.2	152.7	-178.1	169.8	0	107.7
126	S	39.4	Very low	38	Very low	124 Å²	124	147.1 Å²	147.1	87%	0.867	82%	0.815	S	S	*	*			cis	-169.9	140.6	-18.2	174.5	0	0	0	0	109.8
127	G	41.5	Very low	38	Very low	73 Å²	73	149.2 Å²	149.2	75%	0.753	81%	0.813	S	S	*	*			trans	97.9	159.9	160.6	0	0	0	0	0	117.8
128	R	37.5	Very low	38.5	Very low	223 Å²	223	147.6 Å²	147.6	84%	0.842	81%	0.811	S	S	*	*			cis	-163.1	110.7	-17.2	-178.2	179.2	-176.4	-168	1.5	112.5
129	L	38.8	Very low	38.5	Very low	136 Å²	136	146.3 Å²	146.3	71%	0.712	80%	0.803	S	S	*	*			trans	65.4	154	163.6	-59.9	171.5	0	0	0	115.4
130	K	41.2	Very low	38.1	Very low	177 Å²	177	149.3 Å²	149.3	77%	0.77	81%	0.811	S	S	*	*			cis	-142.8	126.7	-2.3	-108.4	146.6	177.8	-174.3	0	106.1
131	S	35.1	Very low	38.3	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	80%	0.804	S	S	*	*				63	102.8	90.6	177.8	0	0	0	0	116.4
132	I	40.9	Very low	38.1	Very low	167 Å²	167	145.4 Å²	145.4	86%	0.856	81%	0.807	S	S	*	*				-151.3	153.1	117	-101.3	156.3	0	0	0	108.2
133	R	35.5	Very low	37.7	Very low	216 Å²	216	144.5 Å²	144.5	82%	0.815	80%	0.801	S	S	*	*			trans	-106.1	158.1	-179.2	-66.2	173	170.2	162.3	-6.8	110.1
134	H	41.9	Very low	37.8	Very low	197 Å²	197	140.8 Å²	140.8	91%	0.912	80%	0.795	S	S	*	*				-146.1	157.3	115.9	-99.5	-76	0	0	0	109.7
135	T	32.1	Very low	37.7	Very low	102 Å²	102	146 Å²	146	63%	0.626	80%	0.801	S	S	*	*			trans	-153.8	132.1	-170.4	-54	0	0	0	0	109.9	T137	T135-T137 HydrophobicContact CG2-CG2 4.02Å
136	V	42.2	Very low	37.5	Very low	144 Å²	144	144.1 Å²	144.1	87%	0.873	80%	0.801	S	S	*	*			trans	-141.3	130.8	157.4	-174.5	0	0	0	0	107.6
137	T	37.4	Very low	37.1	Very low	117 Å²	117	144.8 Å²	144.8	72%	0.718	79%	0.794	S	S	*	*			trans	-142.9	-176.7	-179.7	70	0	0	0	0	108.1	T135	T135-T137 HydrophobicContact CG2-CG2 4.02Å
138	P	45.5	Very low	36.7	Very low	129 Å²	129	149.1 Å²	149.1	84%	0.838	80%	0.799	S	S	*	*				-123.1	-174.4	-128.9	27.6	-2.1	0	0	0	115.2
139	S	34.1	Very low	36.5	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	80%	0.795	S	S	*	*			trans	-155.5	134.6	160.6	-165.3	0	0	0	0	108.1
140	L	32.4	Very low	36.3	Very low	169 Å²	169	145.4 Å²	145.4	89%	0.885	80%	0.804	S	S	*	*			cis	98.3	99.7	24.7	-160.2	97	0	0	0	114.3
141	A	35.7	Very low	36.1	Very low	95 Å²	95	142.3 Å²	142.3	79%	0.785	80%	0.802	S	S	*	*			trans	-175.5	131.5	154.1	0	0	0	0	0	107.6
142	S	34.5	Very low	36.2	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	81%	0.806	S	S	*	*			cis	81	130.5	43.6	178.7	0	0	0	0	113.6
143	S	33.2	Very low	35.8	Very low	98 Å²	98	140 Å²	140	69%	0.685	80%	0.804	S	S	*	*			cis	-169.2	-175.7	-9.1	-79	0	0	0	0	109.3
144	Q	37	Very low	36.1	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	81%	0.806	S	S	*	*			trans	79.2	117.6	165.3	-59.1	168.1	0.8	0	0	115
145	E	33.3	Very low	35.8	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.822	80%	0.804	S	S	*	*				78.7	118.5	57.3	-75.6	-156.1	158.7	0	0	115.3
146	L	37.8	Very low	36.1	Very low	176 Å²	176	144.2 Å²	144.2	92%	0.921	82%	0.817	S	S	*	*				-165.4	160.4	122.4	-107	168	0	0	0	113
147	L	32.3	Very low	35.7	Very low	138 Å²	138	148.5 Å²	148.5	72%	0.723	82%	0.817	S	S	*	*			trans	-105.9	165.9	-156.7	-78.6	163	0	0	0	115.7
148	L	31.8	Very low	35.4	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	82%	0.821	S	S	*	*			trans	71.9	141	156.8	-66.7	149	0	0	0	116.6
149	S	33	Very low	35	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	82%	0.816	S	S	*	*			cis	-162.1	172.6	36.4	52.6	0	0	0	0	113.2
150	L	35.4	Very low	35.1	Very low	171 Å²	171	145.1 Å²	145.1	90%	0.895	81%	0.811	S	S	*	*			trans	-125.9	136.3	-178.4	-149.5	87.6	0	0	0	112.2
151	P	36.6	Very low	35.4	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	81%	0.812	S	S	*	*			trans	-121.6	169.3	161	32.2	-16.2	0	0	0	113.2
152	P	38	Very low	35.5	Very low	127 Å²	127	145.7 Å²	145.7	83%	0.825	81%	0.805	S	S	*	*			trans	-114.9	176.9	-140	38.7	-29.5	0	0	0	117.9
153	A	33.1	Very low	35.6	Very low	99 Å²	99	146 Å²	146	82%	0.818	81%	0.807	S	S	*	*			trans	-65.8	160.8	-170.1	0	0	0	0	0	116.9
154	K	41.6	Very low	35.8	Very low	201 Å²	201	147.6 Å²	147.6	87%	0.874	81%	0.813	S	S	*	*			trans	-121.8	146.4	165.7	-69.4	177	-179.3	171.9	0	110.2
155	K	35.4	Very low	35.5	Very low	198 Å²	198	144.7 Å²	144.7	86%	0.861	81%	0.811	S	S	*	*			trans	-113.6	151	176	-61.6	-177.2	179.2	-174.8	0	110.1
156	F	37.1	Very low	35.8	Very low	205 Å²	205	144.7 Å²	144.7	90%	0.899	82%	0.816	S	S	*	*			trans	-123.5	155.4	159.8	-91	-87.4	0	0	0	111.4
157	R	35.3	Very low	35.5	Very low	233 Å²	233	143.9 Å²	143.9	88%	0.879	81%	0.812	S	S	*	*			trans	-107.7	174.8	171	-49.9	-179.7	-176.5	-176.9	0.2	107.2
158	C	30.5	Very low	35.8	Very low	116 Å²	116	145.3 Å²	145.3	78%	0.784	82%	0.819	S	S	*	*			cis	-150.6	-154	8.5	-144.5	0	0	0	0	106.9
159	A	37	Very low	35.9	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	81%	0.81	S	S	*	*			cis	-166.4	176	-1.3	0	0	0	0	0	107.6
160	A	35.7	Very low	35.9	Very low	79 Å²	79	140.6 Å²	140.6	65%	0.653	81%	0.81	S	S	*	*			cis	175.9	125.5	-39.7	0	0	0	0	0	108.7
161	H	38.3	Very low	36.1	Very low	198 Å²	198	140.4 Å²	140.4	92%	0.917	81%	0.81	S	S	*	*			trans	-173	140.5	162.6	-101	-85.1	0	0	0	106
162	A	39.3	Very low	35.8	Very low	77 Å²	77	142.2 Å²	142.2	64%	0.636	81%	0.814	S	S	*	*			cis	-172.1	127.8	-16.6	0	0	0	0	0	105.1
163	S	35.1	Very low	35.9	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	82%	0.817	S	S	*	*			trans	36	139.4	138.2	-48.3	0	0	0	0	120.5
164	V	37.8	Very low	35.9	Very low	132 Å²	132	145 Å²	145	80%	0.8	81%	0.814	S	S	*	*			cis	-146.2	151	45.1	170.2	0	0	0	0	111.8
165	C	30.4	Very low	35.7	Very low	118 Å²	118	142.2 Å²	142.2	80%	0.797	81%	0.814	S	S	*	*			trans	-118.6	150.5	168.4	-55.1	0	0	0	0	111.5
166	L	40.6	Very low	35.5	Very low	177 Å²	177	136.5 Å²	136.5	93%	0.927	81%	0.812	S	S	*	*			trans	-128.4	140.7	155.3	-76.6	177.3	0	0	0	108.5
167	N	30.8	Very low	35.5	Very low	158 Å²	158	130.4 Å²	130.4	85%	0.845	81%	0.807	S	S	*	*			trans	-145.8	117.7	-171	-165.3	11.1	0	0	0	110.9
168	I	39	Very low	35.6	Very low	169 Å²	169	126.3 Å²	126.3	87%	0.867	81%	0.808	S	S	*	*			trans	-151.7	137.8	175.5	-51.4	176.8	0	0	0	104.9
169	G	34.8	Very low	35.7	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	81%	0.81	S	S	*	*			cis	171.2	143.4	-1.8	0	0	0	0	0	107.9
170	S	32.8	Very low	35.8	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	81%	0.812	S	S	*	*			trans	-63	153.9	-163.2	-44.4	0	0	0	0	115.8
171	N	38.6	Very low	35.6	Very low	166 Å²	166	134.4 Å²	134.4	89%	0.888	81%	0.814	S	S	*	*				-167	138.9	124.6	-92.6	-30.2	0	0	0	112.1
172	D	31.5	Very low	35.7	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	81%	0.814	S	S	*	*			trans	-79.5	159.2	172.7	-55.9	-90.4	0	0	0	112.8
173	I	39.5	Very low	35.2	Very low	175 Å²	175	135.1 Å²	135.1	90%	0.897	82%	0.822	S	S	*	*			trans	-155.9	143.8	140.2	-102.9	151.8	0	0	0	108.5
174	S	32	Very low	35.6	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	82%	0.817	S	S	*	*			trans	-114	140.3	-171.9	176.5	0	0	0	0	112.8
175	T	38.4	Very low	35.7	Very low	143 Å²	143	135 Å²	135	88%	0.877	82%	0.82	S	S	*	*			trans	172.5	148.4	148.8	23.6	0	0	0	0	108.3
176	G	31.8	Very low	35.8	Very low	79 Å²	79	139.5 Å²	139.5	81%	0.814	82%	0.822	S	S	*	*			cis	146.9	98.4	-4.2	0	0	0	0	0	111.3
177	G	36.2	Very low	35.7	Very low	77 Å²	77	136.7 Å²	136.7	79%	0.794	81%	0.814	S	S	*	*			trans	-172.8	147.5	-179.9	0	0	0	0	0	113.1
178	T	37	Very low	35.8	Very low	146 Å²	146	134.4 Å²	134.4	90%	0.896	81%	0.806	S	S	*	*			trans	-128.3	153	-157.3	-25	0	0	0	0	114.9
179	R	34	Very low	35.7	Very low	219 Å²	219	136.3 Å²	136.3	83%	0.826	81%	0.808	S	S	*	*			trans	-48	167.6	159.8	-100.5	-179.3	173.5	-168.4	-1.5	113.5
180	P	38.4	Very low	35.7	Very low	123 Å²	123	144.3 Å²	144.3	80%	0.799	82%	0.818	S	S	*	*			cis	-148.8	-170.8	41.5	43.5	-22	0	0	0	118.9
181	V	31.4	Very low	35.8	Very low	114 Å²	114	143.8 Å²	143.8	69%	0.691	81%	0.814	S	S	*	*			trans	-76	154.2	177.1	173.6	0	0	0	0	112.8
182	L	40	Very low	35.7	Very low	177 Å²	177	140.5 Å²	140.5	93%	0.927	81%	0.805	S	S	*	*			trans	-134	159.4	153.8	-77.4	178.1	0	0	0	110.9
183	S	30	Very low	36	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	80%	0.796	S	S	*	*			trans	-139.5	146.7	-179.3	-176.3	0	0	0	0	109.9
184	A	42.6	Very low	35.9	Very low	88 Å²	88	136 Å²	136	73%	0.727	79%	0.79	S	S	*	*			trans	-160.3	98.6	174.8	0	0	0	0	0	113.2
185	D	40.5	Very low	36.3	Very low	160 Å²	160	137.1 Å²	137.1	86%	0.856	79%	0.791	S	S	*	*			trans	44.5	139.8	133.6	-52.3	-25.3	0	0	0	124.6
186	Y	32.3	Very low	36.3	Very low	212 Å²	212	137.9 Å²	137.9	83%	0.831	79%	0.79	S	S	*	*			trans	-72	161.6	171.7	-89	-96.9	0	0	0	113.5
187	P	38.9	Very low	36.5	Very low	118 Å²	118	138.2 Å²	138.2	77%	0.766	79%	0.785	S	S	*	*				-145.8	152.2	93.6	37.3	-20.8	0	0	0	117
188	T	32	Very low	36.6	Very low	110 Å²	110	143 Å²	143	68%	0.675	79%	0.791	S	S	*	*			trans	-68.1	142.8	172.6	-51	0	0	0	0	113.6
189	F	37.1	Very low	36.6	Very low	209 Å²	209	141.9 Å²	141.9	92%	0.917	78%	0.784	S	S	*	*			trans	-134.1	165.8	150.6	-97.9	-79.7	0	0	0	111.6
190	R	35.9	Very low	36.8	Very low	233 Å²	233	137.8 Å²	137.8	88%	0.879	78%	0.778	S	S	*	*			trans	-141.8	148.6	-156.4	-163.2	-173.7	-163.1	-123.8	6.5	112.2
191	S	34	Very low	36.9	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	77%	0.773	S	S	*	*			trans	91.6	137.1	151.6	-151.7	0	0	0	0	120.5
192	S	36	Very low	37.3	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	78%	0.781	S	S	*	*			trans	71.2	96.9	148.9	-66.3	0	0	0	0	121.7
193	S	38.4	Very low	37	Very low	92 Å²	92	142.2 Å²	142.2	64%	0.643	78%	0.776	S	S	*	*				71.2	155.7	106.2	75.8	0	0	0	0	122.5
194	D	36.3	Very low	37.4	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	77%	0.774	S	S	*	*			trans	84.6	117.5	157.4	-52	-51.2	0	0	0	119.6
195	V	41	Very low	37	Very low	130 Å²	130	144.7 Å²	144.7	79%	0.788	78%	0.781	S	S	*	*			trans	-10.8	142.6	160.7	-59.9	0	0	0	0	117.2
196	D	38	Very low	36.9	Very low	160 Å²	160	143 Å²	143	86%	0.856	78%	0.777	S	S	*	*				-160	177.2	62.2	-142	-33.2	0	0	0	113.8
197	A	36.7	Very low	37.1	Very low	85 Å²	85	137.9 Å²	137.9	70%	0.702	77%	0.769	S	S	*	*			trans	-86.9	144.5	-173.1	0	0	0	0	0	114.8
198	L	37.9	Very low	37	Very low	178 Å²	178	138.1 Å²	138.1	93%	0.932	77%	0.771	S	S	*	*			trans	-159	159.1	143.8	-112.4	169.4	0	0	0	112.1
199	V	38.3	Very low	37	Very low	122 Å²	122	141 Å²	141	74%	0.739	78%	0.781	S	S	*	*			trans	-104.9	136.3	-163.3	166.9	0	0	0	0	112.4
200	D	38.1	Very low	36.8	Very low	133 Å²	133	142.1 Å²	142.1	71%	0.711	78%	0.779	S	S	*	*				-148.4	168.1	129.2	-141.6	-13.2	0	0	0	112.8
201	K	40.1	Very low	36.5	Very low	159 Å²	159	136.5 Å²	136.5	69%	0.691	77%	0.774	S	S	*	*			trans	-91.4	153	-162	-51.5	127	-166.6	135.4	0	113.4
202	N	38.7	Very low	36.2	Very low	159 Å²	159	139 Å²	139	85%	0.85	78%	0.779	S	S	*	*				-165.8	100	126.8	-98.7	-40.7	0	0	0	114.4
203	K	34.7	Very low	36.2	Very low	190 Å²	190	140.3 Å²	140.3	83%	0.826	78%	0.783	S	S	*	*			trans	49.1	91.3	131.4	-165.6	-176.4	-180	-178.1	0	119.6
204	A	38.5	Very low	36	Very low	91 Å²	91	141.3 Å²	141.3	75%	0.752	79%	0.785	S	S	*	*			trans	-153.8	127.7	140.1	0	0	0	0	0	108.9
205	D	33.2	Very low	36.2	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	76%	0.763	S	S	*	*			trans	-91.1	114.8	-176.6	-65.7	-72	0	0	0	111.4
206	T	38	Very low	35.8	Very low	125 Å²	125	137.2 Å²	137.2	77%	0.767	76%	0.762	S	S	*	*			trans	-127.9	120.2	171.9	-55.4	0	0	0	0	109.1
207	P	37.9	Very low	35.7	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	74%	0.739	S	S	*	*			trans	-73.9	150.1	179.5	30.8	-34.7	0	0	0	111.6	L209	P207-L209 PolarHBondContact O-N 2.99Å
208	P	35.6	Very low	35.6	Very low	122 Å²	122	134.8 Å²	134.8	79%	0.792	74%	0.741	S	S	*	*			trans	-69.7	126.2	-180	28.5	-34.3	0	0	0	111.3	R210	P208-R210 PolarHBondContact O-N 3.22Å; P208-R210 VanDerWaalsContact O-N 3.14Å
209	L	33.4	Very low	35.6	Very low	172 Å²	172	130.2 Å²	130.2	90%	0.901	72%	0.715	S	S	*	*			trans	-67.2	110	176.2	-67.3	176.5	0	0	0	110.6	P207 C211	P207-L209 PolarHBondContact O-N 2.99Å; L209-C211 PolarHBondContact O-N 3.45Å; L209-C211 VanDerWaalsContact O-N 3.09Å
210	R	32	Very low	35.3	Very low	232 Å²	232	128.9 Å²	128.9	88%	0.875	71%	0.711	S	S	*	*			trans	-69.8	99.2	162.6	-81.3	-178	168.4	156.3	-3.7	108.7	P208 L212	P208-R210 PolarHBondContact O-N 3.22Å; P208-R210 VanDerWaalsContact O-N 3.14Å; R210-L212 PolarHBondContact O-N 3.31Å
211	C	29.2	Very low	35.1	Very low	114 Å²	114	128.8 Å²	128.8	77%	0.77	72%	0.715	S	S	*	*			trans	-69.5	93.4	169.3	-170.7	0	0	0	0	109.6	L209	L209-C211 PolarHBondContact O-N 3.45Å; L209-C211 VanDerWaalsContact O-N 3.09Å
212	L	28.9	Very low	34.9	Very low	152 Å²	152	126.7 Å²	126.7	80%	0.796	72%	0.718	S	S	*	*			trans	-134.3	65.9	169.1	-75.1	176.8	0	0	0	109.2	R210	R210-L212 PolarHBondContact O-N 3.31Å
213	T	36.3	Very low	34.6	Very low	123 Å²	123	124.4 Å²	124.4	76%	0.755	71%	0.713	S	S	*	*			trans	-109.6	84.4	165.4	52.9	0	0	0	0	108.6
214	V	33.7	Very low	34.7	Very low	114 Å²	114	121.1 Å²	121.1	69%	0.691	71%	0.713	S	S	*	*			trans	-58.4	140.5	150.6	179.6	0	0	0	0	106.3
215	F	39.7	Very low	34.6	Very low	64 Å²	64	125.2 Å²	125.2	28%	0.281	72%	0.717	S	S	.	*			trans	-51.5	129.1	174	-99.3	-86	0	0	0	109.8	H217 E454 F457	F215-H217 PolarHBondContact O-N 3.09Å; F215-H217 PolarHBondContact O-ND1 3.15Å; F215-E454 HydrophobicContact CD2-CG 3.83Å; F215-E454 WeakPolarHBondContact CD2-OE1 3.48Å; F215-E454 HydrophobicContact CE2-CB 3.97Å; F215-E454 HydrophobicContact CE2-CG 3.48Å; F215-E454 VanDerWaalsContact CE2-CG 3.48Å; F215-E454 HydrophobicContact CZ-CG 4.21Å; F215-F457 HydrophobicContact CE1-CD1 4.07Å; F215-F457 HydrophobicContact CE1-CE1 4.32Å; F215-F457 HydrophobicContact CE1-CG 4.17Å; F215-F457 AromaticContact CE2-CD1 3.87Å; F215-F457 HydrophobicContact CE2-CD1 3.87Å; F215-F457 HydrophobicContact CE2-CE1 4.39Å; F215-F457 HydrophobicContact CE2-CG 4.48Å; F215-F457 HydrophobicContact CZ-CB 3.75Å; F215-F457 AromaticContact CZ-CD1 3.33Å; F215-F457 HydrophobicContact CZ-CD1 3.33Å; F215-F457 HydrophobicContact CZ-CD2 4.37Å; F215-F457 AromaticContact CZ-CE1 3.93Å; F215-F457 HydrophobicContact CZ-CE1 3.93Å; F215-F457 AromaticContact CZ-CG 3.58Å; F215-F457 HydrophobicContact CZ-CG 3.58Å
216	P	32.1	Very low	34.5	Very low	120 Å²	120	123.2 Å²	123.2	78%	0.779	72%	0.716	S	S	*	*			trans	-65.8	95	163.4	28.5	-31.1	0	0	0	106.7
217	H	36.8	Very low	34.6	Very low	80 Å²	80	123.9 Å²	123.9	37%	0.37	72%	0.72	S	S	.	*			trans	-56.3	139.6	-179.9	-68.2	39	0	0	0	107.9	F215 H219 S220 Y486	F215-H217 PolarHBondContact O-N 3.09Å; F215-H217 PolarHBondContact O-ND1 3.15Å; H217-H219 PolarHBondContact O-N 2.98Å; H217-S220 PolarHBondContact O-N 3.08Å; H217-Y486 PolarHBondContact CD2-OH 3.15Å
218	P	34.1	Very low	34.4	Very low	114 Å²	114	124 Å²	124	74%	0.74	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	20.1	-174.1	28.3	-36.3	0	0	0	114.6
219	H	37.8	Very low	34.4	Very low	83 Å²	83	124.2 Å²	124.2	38%	0.384	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.9	0.3	-170.8	-61.2	-26	0	0	0	112.9	H217 V221 S523 H527	H217-H219 PolarHBondContact O-N 2.98Å; H219-V221 PolarHBondContact O-N 3.24Å; H219-S523 WeakPolarHBondContact CB-OG 3.3Å; H219-S523 PolarHBondContact ND1-OG 3.49Å; H219-H527 AromaticContact NE2-ND1 3.97Å
220	S	32.6	Very low	34.6	Very low	94 Å²	94	122.3 Å²	122.3	66%	0.657	72%	0.72	S	S	*	*			trans	-95.9	76.4	-179.8	-59.3	0	0	0	0	112.9	H217 P222	H217-S220 PolarHBondContact O-N 3.08Å; S220-P222 WeakPolarHBondContact O-CD 3.19Å
221	V	34.9	Very low	34.6	Very low	131 Å²	131	117 Å²	117	79%	0.794	72%	0.718	S	S	*	*			trans	-64.7	123	163	-177.1	0	0	0	0	108.1	H219 C223	H219-V221 PolarHBondContact O-N 3.24Å; V221-C223 PolarHBondContact O-N 2.89Å
222	P	35.4	Very low	35.2	Very low	115 Å²	115	118.8 Å²	118.8	75%	0.747	72%	0.718	S	S	*	*			trans	-71.1	95.9	-175.9	27.7	-34.1	0	0	0	110.8	S220 S224	S220-P222 WeakPolarHBondContact O-CD 3.19Å; P222-S224 PolarHBondContact O-N 2.98Å
223	C	32.5	Very low	35.4	Very low	111 Å²	111	118.5 Å²	118.5	75%	0.75	72%	0.718	S	S	*	*			trans	-75.5	103.3	172.2	-168.9	0	0	0	0	109.2	V221 Q225	V221-C223 PolarHBondContact O-N 2.89Å; C223-Q225 PolarHBondContact O-N 3.11Å
224	S	35.2	Very low	35.5	Very low	120 Å²	120	118.7 Å²	118.7	84%	0.839	72%	0.719	S	S	*	*			trans	-62.3	90.6	-178	-56.2	0	0	0	0	112.4	P222	P222-S224 PolarHBondContact O-N 2.98Å
225	Q	37.7	Very low	35.8	Very low	178 Å²	178	118.4 Å²	118.4	83%	0.832	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-72	143	169.9	-64.5	-168.4	14.8	0	0	110.5	C223	C223-Q225 PolarHBondContact O-N 3.11Å
226	S	31.7	Very low	35.8	Very low	119 Å²	119	121.1 Å²	121.1	83%	0.832	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-75.6	126.4	-171.6	41.5	0	0	0	0	112.9
227	T	38.4	Very low	36.6	Very low	139 Å²	139	121.4 Å²	121.4	85%	0.853	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-87.6	134.1	159.9	46.8	0	0	0	0	109.6
228	S	34.1	Very low	36.8	Very low	108 Å²	108	125 Å²	125	76%	0.755	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-67.5	151.5	-176.3	-56.2	0	0	0	0	112.6
229	P	35.4	Very low	37.4	Very low	126 Å²	126	124.9 Å²	124.9	82%	0.818	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-70.8	135.2	-175.5	28.9	-35.5	0	0	0	112.3
230	V	38.5	Very low	38	Very low	132 Å²	132	127.1 Å²	127.1	80%	0.8	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-99.9	118.6	164.3	176.1	0	0	0	0	108	I232	V230-I232 PolarHBondContact O-N 2.87Å
231	S	32	Very low	38.1	Very low	120 Å²	120	128.4 Å²	128.4	84%	0.839	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.5	126.3	178.6	-53.1	0	0	0	0	111.5
232	I	41.3	Very low	38.5	Very low	151 Å²	151	127.1 Å²	127.1	77%	0.774	80%	0.804	S	S	*	*			trans	-127	127	162.8	-61.8	-178.1	0	0	0	107.2	V230	V230-I232 PolarHBondContact O-N 2.87Å
233	D	32.9	Very low	38.4	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	81%	0.81	S	S	*	*			trans	-94.8	123.6	-172.4	-174.8	7.7	0	0	0	110.6
234	V	39.7	Very low	38.8	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	81%	0.812	S	S	*	*			trans	-143	117.7	173	-176.8	0	0	0	0	108.4
235	S	38.9	Very low	38.8	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	81%	0.811	S	S	*	*			trans	-81.7	143	-170.1	-37.7	0	0	0	0	113.8
236	C	40.4	Very low	39	Very low	121 Å²	121	124.6 Å²	124.6	82%	0.818	80%	0.802	S	S	*	*			trans	-109.4	141.7	163.3	-72.9	0	0	0	0	110.1
237	P	49.3	Very low	39.3	Very low	126 Å²	126	127.3 Å²	127.3	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-84	154.8	176.9	33.7	-34.8	0	0	0	113.4
238	D	40.8	Very low	39.2	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.3	154.6	-169.9	-58.5	-80.3	0	0	0	116.6
239	P	45.5	Very low	39.3	Very low	112 Å²	112	130.8 Å²	130.8	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-88	140.5	166.8	35	-32.6	0	0	0	112.7
240	P	50.2	Low	39.4	Very low	130 Å²	130	133 Å²	133	84%	0.844	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-81.1	130.3	177.5	31.7	-33.7	0	0	0	112.6
241	S	34.5	Very low	39.4	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-93.6	139.4	168.2	-70	0	0	0	0	111.7
242	A	43.6	Very low	39.9	Very low	103 Å²	103	136.7 Å²	136.7	85%	0.851	79%	0.79	S	S	*	*			trans	-144.9	128.4	169.1	0	0	0	0	0	110.9
243	T	33.4	Very low	39.7	Very low	144 Å²	144	133.3 Å²	133.3	88%	0.883	78%	0.784	S	S	*	*			trans	-113.5	124.4	-168.6	-52.6	0	0	0	0	111.6
244	A	40.7	Very low	40.2	Very low	96 Å²	96	130.4 Å²	130.4	79%	0.793	78%	0.775	S	S	*	*			trans	-156.4	134.8	162.8	0	0	0	0	0	113.6
245	T	36.8	Very low	40.4	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	78%	0.777	S	S	*	*			trans	-117.4	-179	158.2	61.5	0	0	0	0	106.4
246	P	40.2	Very low	40.5	Very low	100 Å²	100	134.3 Å²	134.3	65%	0.649	78%	0.778	S	S	*	*			cis	-149.5	178.2	11.1	43.6	-22.8	0	0	0	119
247	K	39.4	Very low	40.6	Very low	176 Å²	176	132.5 Å²	132.5	77%	0.765	77%	0.766	S	S	*	*			trans	72.9	124.1	137.3	-84.4	169.9	-178.6	178.2	0	124.7
248	Y	35.7	Very low	40.2	Very low	213 Å²	213	132.1 Å²	132.1	84%	0.835	76%	0.762	S	S	*	*			trans	94.3	141.1	131.9	-94.4	-72.6	0	0	0	125
249	S	35.8	Very low	40.1	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	76%	0.76	S	S	*	*			trans	75.6	119.8	165.7	-137.8	0	0	0	0	118
250	K	37.8	Very low	39.6	Very low	173 Å²	173	130.2 Å²	130.2	75%	0.752	76%	0.759	S	S	*	*			cis	99.7	106.2	15.2	-168	-145.3	179.2	-173.7	0	115.2
251	Q	39.2	Very low	39.1	Very low	143 Å²	143	135.5 Å²	135.5	67%	0.668	76%	0.761	S	S	*	*				169	138.3	122.5	-98.6	-179.3	-64.5	0	0	115.7
252	H	40.9	Very low	39.3	Very low	186 Å²	186	138.9 Å²	138.9	86%	0.861	76%	0.761	S	S	*	*			trans	61.9	150.3	150.7	-64.3	-51.2	0	0	0	119.9
253	A	38.8	Very low	38.7	Very low	80 Å²	80	139.1 Å²	139.1	66%	0.661	76%	0.757	S	S	*	*			cis	-173.3	168.2	-5.9	0	0	0	0	0	108.3
254	S	42	Very low	38.8	Very low	85 Å²	85	138.4 Å²	138.4	59%	0.594	76%	0.757	S	S	*	*			cis	-170.2	179.8	-16.2	46.7	0	0	0	0	109.4
255	E	43.4	Very low	38.5	Very low	172 Å²	172	139.5 Å²	139.5	80%	0.804	76%	0.759	S	S	*	*			trans	66.1	142.8	161.6	-74.9	134.8	-105.4	0	0	120.2
256	D	43.1	Very low	38.3	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	77%	0.766	S	S	*	*			cis	-171.9	173.9	-22.1	-146	11	0	0	0	106.4
257	S	41.4	Very low	37.9	Very low	82 Å²	82	145.6 Å²	145.6	57%	0.573	77%	0.771	S	S	*	*			cis	-163.4	-163.5	-13.8	-131.8	0	0	0	0	105.6
258	T	40.9	Very low	37.8	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.724	77%	0.773	S	S	*	*			cis	-164	159.4	-8.9	18.2	0	0	0	0	104.8
259	T	39.4	Very low	37.6	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	77%	0.772	S	S	*	*			cis	-153.7	-179.7	-5.8	-1.9	0	0	0	0	110.5
260	S	34.8	Very low	37.6	Very low	99 Å²	99	145.5 Å²	145.5	69%	0.692	78%	0.777	S	S	*	*			trans	-65.6	164.5	177.4	68.2	0	0	0	0	116.5
261	R	39.4	Very low	37.4	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	78%	0.78	S	S	*	*				-160.7	145.1	78.8	-86.3	-178.3	179.8	-171.1	0.1	116.1
262	K	38.4	Very low	37.1	Very low	193 Å²	193	146 Å²	146	84%	0.839	79%	0.785	S	S	*	*			trans	-1.9	127.7	155.7	-65.6	-175.6	-178.8	-174.2	0	118.2
263	S	32.1	Very low	37	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	78%	0.783	S	S	*	*			cis	89.2	108.8	43	78.1	0	0	0	0	116.1
264	S	35.1	Very low	36.8	Very low	129 Å²	129	148.8 Å²	148.8	90%	0.902	79%	0.788	S	S	*	*			trans	-161.3	156.8	131.3	-159	0	0	0	0	110
265	S	33	Very low	36.9	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	80%	0.802	S	S	*	*			trans	-105.7	140.4	-171.6	-56.2	0	0	0	0	112.8
266	R	33.8	Very low	36.6	Very low	251 Å²	251	150.9 Å²	150.9	95%	0.947	80%	0.796	S	S	*	*			trans	-150.7	136.4	145.4	-135.4	169.6	178.3	173.6	-3.6	110.9
267	S	31.7	Very low	36.3	Very low	109 Å²	109	151.4 Å²	151.4	76%	0.762	80%	0.799	S	S	*	*			trans	-98.2	139.4	-169.7	49.9	0	0	0	0	112.5
268	H	37.4	Very low	35.7	Very low	173 Å²	173	155.5 Å²	155.5	80%	0.801	81%	0.813	S	S	*	*			trans	-122.9	133.4	151.7	52	-94.7	0	0	0	108.4
269	L	31.8	Very low	35.5	Very low	159 Å²	159	154.5 Å²	154.5	83%	0.832	82%	0.817	S	S	*	*			trans	-102.7	102.8	-175.3	-84.8	163.7	0	0	0	109.9
270	L	35.2	Very low	35.2	Very low	163 Å²	163	155 Å²	155	85%	0.853	81%	0.814	S	S	*	*			trans	-118.6	87.5	163.6	-69.7	178.5	0	0	0	108.7	S272	L270-S272 PolarHBondContact O-N 3.21Å
271	R	33.4	Very low	35.5	Very low	216 Å²	216	159.5 Å²	159.5	82%	0.815	82%	0.823	S	S	*	*			trans	-92.9	83.4	-179.8	-164.6	177.9	-158.3	176.3	8.1	111.3	R273	R271-R273 PolarHBondContact O-N 2.75Å
272	S	32.4	Very low	35.1	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	81%	0.811	S	S	*	*			trans	-58.8	126.5	156.5	177.2	0	0	0	0	109.5	L270	L270-S272 PolarHBondContact O-N 3.21Å
273	R	40.4	Very low	35.1	Very low	216 Å²	216	148.8 Å²	148.8	82%	0.815	81%	0.805	S	S	*	*			trans	-169.8	104.1	149.4	-115.6	177.5	-179.1	-162.1	-1.2	112.5	R271 K275	R271-R273 PolarHBondContact O-N 2.75Å; R273-K275 PolarHBondContact O-N 2.82Å
274	S	33.8	Very low	35.4	Very low	110 Å²	110	152 Å²	152	77%	0.769	81%	0.808	S	S	*	*			trans	-61.3	129.9	156.6	-48.9	0	0	0	0	109.8
275	K	45	Very low	35.5	Very low	204 Å²	204	152.9 Å²	152.9	89%	0.887	80%	0.802	S	S	*	*			trans	-169.1	141.5	140.8	-107.8	155.8	-169.7	178	0	111.3	R273	R273-K275 PolarHBondContact O-N 2.82Å
276	S	35.4	Very low	35.8	Very low	97 Å²	97	154.5 Å²	154.5	68%	0.678	80%	0.8	S	S	*	*			trans	-60.7	139.3	172.8	40.5	0	0	0	0	111.4
277	N	37.1	Very low	35.8	Very low	156 Å²	156	149.1 Å²	149.1	83%	0.834	79%	0.79	S	S	*	*				-172.7	156.1	105.8	-90.6	-31.3	0	0	0	112.8
278	L	29.8	Very low	35.8	Very low	167 Å²	167	148.7 Å²	148.7	87%	0.874	79%	0.788	S	S	*	*			trans	-68.8	123.3	-176.6	-174.8	73.9	0	0	0	112
279	A	37.1	Very low	35.7	Very low	98 Å²	98	145.1 Å²	145.1	81%	0.81	79%	0.788	S	S	*	*			trans	-153.1	123.5	163.2	0	0	0	0	0	110.5
280	I	32.5	Very low	35.6	Very low	141 Å²	141	144 Å²	144	72%	0.723	79%	0.788	S	S	*	*			trans	-95.5	131.2	177	-63.8	163.4	0	0	0	108.6
281	H	40.6	Very low	35.9	Very low	192 Å²	192	141.3 Å²	141.3	89%	0.889	78%	0.78	S	S	*	*			trans	-153.5	153.5	147.9	-104.6	-74.3	0	0	0	110.3
282	T	30.4	Very low	35.7	Very low	108 Å²	108	137.4 Å²	137.4	66%	0.663	78%	0.775	S	S	*	*			trans	-109.3	177.4	-166.1	53.2	0	0	0	0	112.8
283	S	38.8	Very low	35.9	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	78%	0.776	S	S	*	*			trans	68	136.6	152.4	36.1	0	0	0	0	116.6
284	E	38.3	Very low	35.7	Very low	177 Å²	177	137 Å²	137	83%	0.827	77%	0.771	S	S	*	*			cis	-140.5	144	2.9	-59.1	-165.8	131.7	0	0	108.1
285	L	37.1	Very low	35.6	Very low	146 Å²	146	138.4 Å²	138.4	76%	0.764	77%	0.769	S	S	*	*				78.5	137.6	77.2	-137.9	161	0	0	0	114.6
286	L	39.5	Very low	35	Very low	153 Å²	153	138.6 Å²	138.6	80%	0.801	76%	0.764	S	S	*	*			trans	75.7	151.8	-179.6	-63.1	105.9	0	0	0	119
287	D	33.4	Very low	34.9	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	77%	0.772	S	S	*	*			cis	-165.2	153.7	-46.7	-152.9	-8.6	0	0	0	111.3
288	S	33	Very low	35	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	77%	0.768	S	S	*	*			trans	68.2	153	147	74.3	0	0	0	0	123.7
289	A	35.1	Very low	35.3	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	77%	0.767	S	S	*	*			trans	84.3	91.7	153.2	0	0	0	0	0	121.5
290	T	29.5	Very low	35.5	Very low	136 Å²	136	147.3 Å²	147.3	83%	0.834	77%	0.773	S	S	*	*			trans	-111.5	-172.3	152.3	54.5	0	0	0	0	108.8
291	P	41.2	Very low	35.8	Very low	107 Å²	107	147.4 Å²	147.4	70%	0.695	77%	0.774	S	S	*	*			cis	-126.5	-140.4	-26.4	34.5	-12.5	0	0	0	111
292	N	29.9	Very low	35.6	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	77%	0.767	S	S	*	*			trans	72.1	137.1	166.2	-89.1	45.3	0	0	0	116.3
293	E	35.4	Very low	35.9	Very low	166 Å²	166	147 Å²	147	78%	0.776	77%	0.774	S	S	*	*			cis	-138.3	-172.1	3.4	-54.3	-164.4	148.2	0	0	108.9
294	E	37.7	Very low	35.6	Very low	151 Å²	151	148 Å²	148	71%	0.706	78%	0.776	S	S	*	*			cis	-154.9	-168.9	11.7	-147.7	-108.3	98.3	0	0	109.9
295	N	29.9	Very low	35.6	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	78%	0.775	S	S	*	*			trans	-82.2	165.3	-176.1	-57.5	-82.6	0	0	0	114.7
296	R	33	Very low	35.5	Very low	208 Å²	208	144 Å²	144	79%	0.785	77%	0.774	S	S	*	*				169.8	137	100.8	178.7	163.5	156.3	175.2	-9.6	113.7	E298	R296-E298 IonicContact CZ-OE1 2.75Å; R296-E298 IonicContact NE-OE1 3.66Å; R296-E298 PolarHBondContact NE-OE1 2.95Å; R296-E298 IonicContact NH2-OE1 2.92Å; R296-E298 PolarHBondContact NH2-OE1 2.88Å
297	L	32.6	Very low	35.5	Very low	158 Å²	158	142.4 Å²	142.4	83%	0.827	77%	0.773	S	S	*	*			trans	-83.1	144.2	173.6	-57	162.3	0	0	0	111.4
298	E	39.9	Very low	35.4	Very low	161 Å²	161	142.7 Å²	142.7	75%	0.752	77%	0.774	S	S	*	*			trans	-143.6	139.5	146.2	-62.5	-168.1	173.9	0	0	108	R296	R296-E298 IonicContact CZ-OE1 2.75Å; R296-E298 IonicContact NE-OE1 3.66Å; R296-E298 PolarHBondContact NE-OE1 2.95Å; R296-E298 IonicContact NH2-OE1 2.92Å; R296-E298 PolarHBondContact NH2-OE1 2.88Å
299	E	35.8	Very low	35.6	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	78%	0.783	S	S	*	*			trans	-106.7	154.7	-172.6	-57.6	168.7	123.3	0	0	111.1
300	E	41.6	Very low	35.6	Very low	197 Å²	197	150.2 Å²	150.2	92%	0.921	78%	0.779	S	S	*	*			trans	-159.6	94.9	157.2	-121.4	171.6	-149.4	0	0	113.9
301	D	38.4	Very low	36.2	Very low	142 Å²	142	152 Å²	152	76%	0.759	78%	0.782	S	S	*	*			trans	14.4	144.6	144.3	-90.8	-31.8	0	0	0	125.4
302	I	37.7	Very low	35.7	Very low	145 Å²	145	153.4 Å²	153.4	74%	0.744	78%	0.784	S	S	*	*			trans	69.9	133.2	138.6	-65.8	166.5	0	0	0	117.1
303	D	36.3	Very low	36.2	Very low	148 Å²	148	154 Å²	154	79%	0.791	79%	0.792	S	S	*	*			cis	-148.3	169.2	37.7	-155.6	-3.8	0	0	0	114.5
304	T	32.6	Very low	36.3	Very low	121 Å²	121	154.4 Å²	154.4	74%	0.742	79%	0.794	S	S	*	*			trans	-112.3	134.2	-177.5	-65	0	0	0	0	113.3
305	S	37.4	Very low	35.8	Very low	117 Å²	117	154 Å²	154	82%	0.818	80%	0.796	S	S	*	*			trans	-155.1	137.1	152.7	52.5	0	0	0	0	113.2
306	V	36.3	Very low	36.2	Very low	122 Å²	122	155.5 Å²	155.5	74%	0.739	80%	0.799	S	S	*	*			trans	-134	136	177.7	177.6	0	0	0	0	108.7
307	P	38.6	Very low	36	Very low	119 Å²	119	154.2 Å²	154.2	77%	0.773	80%	0.8	S	S	*	*			trans	-102.7	128.1	163.2	13.3	6.1	0	0	0	111.2
308	N	31.9	Very low	36.3	Very low	143 Å²	143	153.8 Å²	153.8	77%	0.765	80%	0.798	S	S	*	*			trans	-66	158.6	174.5	-65.6	-10.5	0	0	0	112.3
309	F	37.4	Very low	36	Very low	201 Å²	201	154 Å²	154	88%	0.882	80%	0.797	S	S	*	*			trans	-126.7	140.9	146.1	56	-93.8	0	0	0	109.1
310	E	34.5	Very low	35.6	Very low	155 Å²	155	152.4 Å²	152.4	72%	0.724	79%	0.794	S	S	*	*			trans	-133.6	132.3	-163.5	-178.5	169.7	-138.2	0	0	107.6
311	L	41.9	Very low	35.4	Very low	173 Å²	173	152.1 Å²	152.1	91%	0.906	79%	0.793	S	S	*	*			trans	-146.8	104.3	177.4	-78.3	-179.1	0	0	0	110.2
312	D	31.4	Very low	35.2	Very low	137 Å²	137	153.7 Å²	153.7	73%	0.733	80%	0.796	S	S	*	*			trans	-69.5	145.6	172.4	-56.3	-77.4	0	0	0	112.6
313	V	39.2	Very low	35	Very low	145 Å²	145	153.5 Å²	153.5	88%	0.879	80%	0.801	S	S	*	*			trans	-136.1	121.6	145.6	-178	0	0	0	0	107.3
314	E	37.2	Very low	34.7	Very low	175 Å²	175	151.3 Å²	151.3	82%	0.818	79%	0.794	S	S	*	*			trans	-69.5	146.8	-170.7	-71.7	168.8	91.1	0	0	113.8
315	N	29	Very low	34.8	Very low	142 Å²	142	151.9 Å²	151.9	76%	0.759	79%	0.792	S	S	*	*			trans	-97	122	173.5	-160.6	4.1	0	0	0	108.8
316	Q	37	Very low	34.6	Very low	171 Å²	171	153.5 Å²	153.5	80%	0.799	79%	0.791	S	S	*	*			trans	-127.1	97.8	179.3	-163.9	161.9	105.5	0	0	110.9
317	F	29.6	Very low	34.6	Very low	180 Å²	180	156.3 Å²	156.3	79%	0.789	79%	0.794	S	S	*	*			trans	-72.4	135.7	165.8	-86.9	-103.2	0	0	0	109.8
318	D	38.3	Very low	34.3	Very low	150 Å²	150	160.2 Å²	160.2	80%	0.802	80%	0.799	S	S	*	*			trans	-136.8	161.7	156.7	-136	-31.3	0	0	0	111
319	K	33.3	Very low	34.3	Very low	165 Å²	165	160.6 Å²	160.6	72%	0.717	80%	0.796	S	S	*	*			trans	-118.9	157.4	-157.5	-61.9	177.7	179.7	176.4	0	114.5
320	N	28.9	Very low	34.2	Very low	153 Å²	153	155.5 Å²	155.5	82%	0.818	79%	0.791	S	S	*	*			trans	72.1	151.8	169.9	-28.8	-61.9	0	0	0	112.8
321	E	35.6	Very low	34.5	Very low	191 Å²	191	155.6 Å²	155.6	89%	0.893	80%	0.797	S	S	*	*			cis	-131.4	175.7	21.5	-70	-176	128.4	0	0	114.3
322	E	34.6	Very low	34.8	Very low	175 Å²	175	154.1 Å²	154.1	82%	0.818	79%	0.785	S	S	*	*			trans	-78.7	134.8	178.6	179.1	-178.2	176.3	0	0	112.4
323	T	34	Very low	35.9	Very low	140 Å²	140	150.7 Å²	150.7	86%	0.859	77%	0.767	S	S	*	*			trans	-159.9	156.2	156.1	-4.9	0	0	0	0	110.8
324	T	31	Very low	36.3	Very low	103 Å²	103	153.5 Å²	153.5	63%	0.632	76%	0.763	S	S	*	*			trans	-101	168.5	-156.1	49.6	0	0	0	0	115.9
325	D	34.4	Very low	37.1	Very low	133 Å²	133	148.5 Å²	148.5	71%	0.711	75%	0.748	S	S	*	*			trans	102.4	143.8	146.2	-55.5	-54.2	0	0	0	121.4
326	N	33.8	Very low	38.6	Very low	150 Å²	150	144 Å²	144	80%	0.802	73%	0.727	S	S	*	*			trans	81.2	57.2	158.5	-55.1	-49	0	0	0	120.2	F328	N326-F328 PolarHBondContact O-N 3.29Å
327	K	36	Very low	39.6	Very low	182 Å²	182	143.2 Å²	143.2	79%	0.791	72%	0.717	S	S	*	*			trans	-7.3	112	131.5	176.7	-177.5	-178.9	172.1	0	115.9
328	F	30.6	Very low	41.2	Very low	200 Å²	200	139.9 Å²	139.9	88%	0.877	70%	0.702	S	S	*	*			trans	-156.1	166.7	150	-109.2	-78.7	0	0	0	110	N326	N326-F328 PolarHBondContact O-N 3.29Å
329	E	33.5	Very low	42.1	Very low	151 Å²	151	140 Å²	140	71%	0.706	69%	0.691	S	S	*	*			trans	61.3	69.2	173.7	-55	-151.2	136.9	0	0	118.7	Q332	E329-Q332 PolarHBondContact OE1-NE2 2.98Å
330	A	33.7	Very low	43.7	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	68%	0.681	S	S	*	*			trans	-104.8	99.1	153.7	0	0	0	0	0	109.5
331	N	42.6	Very low	45.2	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	65%	0.652	S	S	*	*	S	Bend	trans	179.3	-27.5	156.6	-98.5	-25.8	0	0	0	113.9	D333	N331-D333 VanDerWaalsContact C-N 3.27Å; N331-D333 PolarHBondContact O-N 3.1Å
332	Q	47.3	Very low	46.4	Very low	141 Å²	141	125.7 Å²	125.7	66%	0.659	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-22.6	-179.7	-62.3	-168	58.7	0	0	113.5	E329 Y334	E329-Q332 PolarHBondContact OE1-NE2 2.98Å; Q332-Y334 PolarHBondContact O-N 3.12Å
333	D	55.3	Low	47.7	Very low	65 Å²	65	123.5 Å²	123.5	35%	0.348	63%	0.628	S	S	.	*	H	α-helix	trans	-79.1	-20	-165.7	-153.5	23.1	0	0	0	113.8	N331 S336 R337	N331-D333 VanDerWaalsContact C-N 3.27Å; N331-D333 PolarHBondContact O-N 3.1Å; D333-S336 PolarHBondContact O-N 3.18Å; D333-R337 VanDerWaalsContact O-CB 3.3Å; D333-R337 WeakPolarHBondContact O-CB 3.47Å; D333-R337 WeakPolarHBondContact O-CG 3.38Å; D333-R337 PolarHBondContact O-N 3.34Å; D333-R337 IonicContact OD1-NE 3.36Å; D333-R337 IonicContact OD2-CZ 3.09Å; D333-R337 IonicContact OD2-NE 3.78Å; D333-R337 PolarHBondContact OD2-NE 3.49Å; D333-R337 IonicContact OD2-NH2 3.09Å; D333-R337 PolarHBondContact OD2-NH2 3.26Å
334	Y	46.6	Very low	49.1	Very low	204 Å²	204	121.4 Å²	121.4	80%	0.8	61%	0.614	S	S	*	*	H	α-helix	trans	-66	-46.3	-178.7	-151.3	-82.3	0	0	0	111.9	Q332 R337 F338	Q332-Y334 PolarHBondContact O-N 3.12Å; Y334-R337 PolarHBondContact O-N 3.48Å; Y334-F338 WeakPolarHBondContact O-CB 3.34Å; Y334-F338 PolarHBondContact O-N 3.19Å
335	S	55.3	Low	50.2	Low	71 Å²	71	117.7 Å²	117.7	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-66.4	-41.9	173.4	-176.9	0	0	0	0	111.4	R337 F338 W339	S335-R337 VanDerWaalsContact C-N 3.34Å; S335-R337 PolarHBondContact O-N 2.89Å; S335-F338 PolarHBondContact O-N 3.45Å; S335-W339 PolarHBondContact O-N 2.97Å
336	S	59.2	Low	50.8	Low	47 Å²	47	118.3 Å²	118.3	33%	0.329	60%	0.596	S	S	.	*	H	α-helix	trans	-61.1	-41.2	177.2	-164.5	0	0	0	0	112.4	D333 K340	D333-S336 PolarHBondContact O-N 3.18Å; S336-K340 VanDerWaalsContact O-CB 3.32Å; S336-K340 WeakPolarHBondContact O-CB 3.47Å; S336-K340 WeakPolarHBondContact O-CD 3.45Å; S336-K340 WeakPolarHBondContact O-CG 3.25Å; S336-K340 PolarHBondContact O-N 3.13Å; S336-K340 WeakPolarHBondContact OG-CE 3.49Å; S336-K340 PolarHBondContact OG-NZ 3.04Å
337	R	59.3	Low	51.4	Low	154 Å²	154	119.5 Å²	119.5	58%	0.581	60%	0.596	S	S	*	*	H	α-helix	trans	-67.1	-45.8	175.2	-73.1	174.2	-169.8	-152.5	6.2	111.9	D333 Y334 S335 W339 K340 S341	D333-R337 VanDerWaalsContact O-CB 3.3Å; D333-R337 WeakPolarHBondContact O-CB 3.47Å; D333-R337 WeakPolarHBondContact O-CG 3.38Å; D333-R337 PolarHBondContact O-N 3.34Å; D333-R337 IonicContact OD1-NE 3.36Å; D333-R337 IonicContact OD2-CZ 3.09Å; D333-R337 IonicContact OD2-NE 3.78Å; D333-R337 PolarHBondContact OD2-NE 3.49Å; D333-R337 IonicContact OD2-NH2 3.09Å; D333-R337 PolarHBondContact OD2-NH2 3.26Å; Y334-R337 PolarHBondContact O-N 3.48Å; S335-R337 VanDerWaalsContact C-N 3.34Å; S335-R337 PolarHBondContact O-N 2.89Å; R337-W339 PolarHBondContact O-N 2.98Å; R337-K340 PolarHBondContact O-N 2.94Å; R337-S341 PolarHBondContact O-N 2.99Å; R337-S341 PolarHBondContact O-OG 2.83Å
338	F	63	Low	51.9	Low	110 Å²	110	115.5 Å²	115.5	48%	0.482	59%	0.587	S	S	.	*	H	α-helix	trans	-54.9	-51.5	176.4	177.4	-97.3	0	0	0	111.7	Y334 S335 K340 S341 A342	Y334-F338 WeakPolarHBondContact O-CB 3.34Å; Y334-F338 PolarHBondContact O-N 3.19Å; S335-F338 PolarHBondContact O-N 3.45Å; F338-K340 PolarHBondContact O-N 2.93Å; F338-S341 PolarHBondContact O-N 3.39Å; F338-A342 WeakPolarHBondContact O-CB 3.25Å; F338-A342 PolarHBondContact O-N 3.44Å
339	W	56.9	Low	53.1	Low	152 Å²	152	112.2 Å²	112.2	58%	0.576	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-36.9	177	-70.2	113.1	0	0	0	112.9	S335 R337 I343	S335-W339 PolarHBondContact O-N 2.97Å; R337-W339 PolarHBondContact O-N 2.98Å; W339-I343 WeakPolarHBondContact O-CB 3.29Å; W339-I343 WeakPolarHBondContact O-CD1 3.43Å; W339-I343 WeakPolarHBondContact O-CG1 3.48Å; W339-I343 PolarHBondContact O-N 3.29Å
340	K	65.9	Low	53.7	Low	115 Å²	115	109.8 Å²	109.8	50%	0.5	58%	0.581	S	S	.	*	H	α-helix	trans	-61.8	-50.8	174	-79	164.4	-178	154	0	111.5	S336 R337 F338 A342 I343 T344	S336-K340 VanDerWaalsContact O-CB 3.32Å; S336-K340 WeakPolarHBondContact O-CB 3.47Å; S336-K340 WeakPolarHBondContact O-CD 3.45Å; S336-K340 WeakPolarHBondContact O-CG 3.25Å; S336-K340 PolarHBondContact O-N 3.13Å; S336-K340 WeakPolarHBondContact OG-CE 3.49Å; S336-K340 PolarHBondContact OG-NZ 3.04Å; R337-K340 PolarHBondContact O-N 2.94Å; F338-K340 PolarHBondContact O-N 2.93Å; K340-A342 PolarHBondContact O-N 3.25Å; K340-I343 PolarHBondContact O-N 2.97Å; K340-T344 WeakPolarHBondContact O-CG2 3.24Å; K340-T344 PolarHBondContact O-N 3.46Å; K340-T344 PolarHBondContact O-OG1 3.1Å
341	S	61.6	Low	54.4	Low	31 Å²	31	109.8 Å²	109.8	22%	0.217	58%	0.576	C	S	.	*	H	α-helix	trans	-61.1	-42.5	178.2	-61.6	0	0	0	0	112.1	R337 F338 I343 G345 Q346	R337-S341 PolarHBondContact O-N 2.99Å; R337-S341 PolarHBondContact O-OG 2.83Å; F338-S341 PolarHBondContact O-N 3.39Å; S341-I343 VanDerWaalsContact C-N 3.3Å; S341-I343 PolarHBondContact O-N 3.22Å; S341-G345 CarbonylContact O-C 3.53Å; S341-G345 WeakPolarHBondContact O-CA 3.15Å; S341-G345 PolarHBondContact O-N 3.38Å; S341-Q346 PolarHBondContact O-N 2.7Å
342	A	60.8	Low	54.5	Low	64 Å²	64	111.8 Å²	111.8	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-61.8	-35.5	176.1	0	0	0	0	0	112.9	F338 K340	F338-A342 WeakPolarHBondContact O-CB 3.25Å; F338-A342 PolarHBondContact O-N 3.44Å; K340-A342 PolarHBondContact O-N 3.25Å
343	I	61.7	Low	54.1	Low	129 Å²	129	112 Å²	112	66%	0.662	58%	0.579	S	S	*	*	H	α-helix	trans	-85.5	-38.8	-178.8	-67.5	167	0	0	0	112.5	W339 K340 S341	W339-I343 WeakPolarHBondContact O-CB 3.29Å; W339-I343 WeakPolarHBondContact O-CD1 3.43Å; W339-I343 WeakPolarHBondContact O-CG1 3.48Å; W339-I343 PolarHBondContact O-N 3.29Å; K340-I343 PolarHBondContact O-N 2.97Å; S341-I343 VanDerWaalsContact C-N 3.3Å; S341-I343 PolarHBondContact O-N 3.22Å
344	T	63.6	Low	53.7	Low	95 Å²	95	111.6 Å²	111.6	58%	0.583	58%	0.58	S	S	*	*	H	α-helix	trans	-78.7	-12.1	174.6	61.4	0	0	0	0	112.6	K340 Q346	K340-T344 WeakPolarHBondContact O-CG2 3.24Å; K340-T344 PolarHBondContact O-N 3.46Å; K340-T344 PolarHBondContact O-OG1 3.1Å; T344-Q346 VanDerWaalsContact C-N 3.28Å; T344-Q346 PolarHBondContact O-N 3.32Å
345	G	52.8	Low	54.1	Low	26 Å²	26	109.2 Å²	109.2	27%	0.268	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	75.2	11.3	178.2	0	0	0	0	0	114.6	S341 K371	S341-G345 CarbonylContact O-C 3.53Å; S341-G345 WeakPolarHBondContact O-CA 3.15Å; S341-G345 PolarHBondContact O-N 3.38Å; G345-K371 PolarHBondContact O-NZ 3.49Å
346	Q	48	Very low	54.1	Low	146 Å²	146	114.4 Å²	114.4	68%	0.682	60%	0.598	S	S	*	*			trans	-66.9	139.2	173	-69.4	-161.5	-88.4	0	0	110.9	S341 T344 T348	S341-Q346 PolarHBondContact O-N 2.7Å; T344-Q346 VanDerWaalsContact C-N 3.28Å; T344-Q346 PolarHBondContact O-N 3.32Å; Q346-T348 PolarHBondContact O-N 3.18Å
347	E	45.4	Very low	54.2	Low	175 Å²	175	116.8 Å²	116.8	82%	0.818	61%	0.607	S	S	*	*			trans	-79.2	108.1	-162.4	-67.9	160.1	149.6	0	0	112.7
348	T	47.2	Very low	54.1	Low	98 Å²	98	118 Å²	118	60%	0.601	62%	0.619	S	S	*	*			trans	-134.3	107.4	150.6	52.7	0	0	0	0	107.1	Q346	Q346-T348 PolarHBondContact O-N 3.18Å
349	T	54.7	Low	54.2	Low	131 Å²	131	120.5 Å²	120.5	80%	0.804	64%	0.638	S	S	*	*			trans	-65.5	140.1	175	38.8	0	0	0	0	110.1	S351	T349-S351 PolarHBondContact O-N 2.82Å
350	P	46.9	Very low	54.6	Low	99 Å²	99	122.2 Å²	122.2	64%	0.643	65%	0.645	S	S	*	*			trans	-68.2	112.2	168.9	-14.6	29.6	0	0	0	108.9	Y352	P350-Y352 PolarHBondContact O-N 3.09Å
351	S	48.1	Very low	54.4	Low	95 Å²	95	122 Å²	122	66%	0.664	66%	0.657	S	S	*	*			trans	-63.6	107	171.5	147.3	0	0	0	0	109	T349 N353	T349-S351 PolarHBondContact O-N 2.82Å; S351-N353 PolarHBondContact OG-OD1 2.96Å
352	Y	44.6	Very low	54.3	Low	199 Å²	199	123.7 Å²	123.7	78%	0.78	67%	0.668	S	S	*	*			trans	-100.1	102.1	156.2	-86.4	-93	0	0	0	106	P350 S354	P350-Y352 PolarHBondContact O-N 3.09Å; Y352-S354 PolarHBondContact O-N 3.05Å
353	N	39.1	Very low	54.2	Low	147 Å²	147	123.7 Å²	123.7	79%	0.786	66%	0.664	S	S	*	*			trans	-77.9	105.8	175.4	-72	11.3	0	0	0	108.6	S351	S351-N353 PolarHBondContact OG-OD1 2.96Å
354	S	47.3	Very low	54.2	Low	55 Å²	55	127.2 Å²	127.2	39%	0.385	68%	0.677	S	S	.	*			trans	-146.9	115.3	171.5	176.4	0	0	0	0	106.4	Y352 E356 D357	Y352-S354 PolarHBondContact O-N 3.05Å; S354-E356 PolarHBondContact O-N 2.94Å; S354-D357 WeakPolarHBondContact CB-OD2 3.39Å; S354-D357 PolarHBondContact O-N 3.24Å
355	D	54.1	Low	54.1	Low	155 Å²	155	130.7 Å²	130.7	83%	0.829	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	9.8	-171.1	-42.7	-37.8	0	0	0	113.1
356	E	56.5	Low	54.3	Low	180 Å²	180	132.6 Å²	132.6	84%	0.841	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-6	170.4	-63.3	-170.5	158.6	0	0	113.1	S354	S354-E356 PolarHBondContact O-N 2.94Å
357	D	60.5	Low	54.7	Low	97 Å²	97	127.4 Å²	127.4	52%	0.519	69%	0.687	S	S	.	*			trans	-97.3	0.3	-174.1	-76	-41.5	0	0	0	114.7	S354 D359 Y360	S354-D357 WeakPolarHBondContact CB-OD2 3.39Å; S354-D357 PolarHBondContact O-N 3.24Å; D357-D359 VanDerWaalsContact C-N 3.25Å; D357-D359 PolarHBondContact O-N 3.12Å; D357-Y360 PolarHBondContact O-N 3.24Å; D357-Y360 VanDerWaalsContact O-N 3.13Å
358	E	57.9	Low	55.3	Low	178 Å²	178	129.6 Å²	129.6	83%	0.832	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-25.2	-174.2	-62.2	-159.5	148.5	0	0	114.5	Y360	E358-Y360 PolarHBondContact O-N 2.9Å
359	D	65.3	Low	56.1	Low	164 Å²	164	132 Å²	132	88%	0.877	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-4.3	177.4	-83.9	-30.5	0	0	0	113.9	D357 C361	D357-D359 VanDerWaalsContact C-N 3.25Å; D357-D359 PolarHBondContact O-N 3.12Å; D359-C361 VanDerWaalsContact C-N 3.3Å; D359-C361 PolarHBondContact O-N 3.3Å
360	Y	64.3	Low	56.5	Low	187 Å²	187	133.3 Å²	133.3	73%	0.733	69%	0.687	S	S	*	*			trans	-79.4	71.1	-175.8	-164.6	-99.1	0	0	0	113.7	D357 E358 P362	D357-Y360 PolarHBondContact O-N 3.24Å; D357-Y360 VanDerWaalsContact O-N 3.13Å; E358-Y360 PolarHBondContact O-N 2.9Å; Y360-P362 HydrophobicContact CD1-CG 4.43Å; Y360-P362 HydrophobicContact CE1-CG 3.96Å; Y360-P362 WeakPolarHBondContact O-CD 3.47Å
361	C	62.9	Low	57.4	Low	111 Å²	111	133.4 Å²	133.4	75%	0.75	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-81.7	116.7	157.5	-80.5	0	0	0	0	110.2	D359 S363	D359-C361 VanDerWaalsContact C-N 3.3Å; D359-C361 PolarHBondContact O-N 3.3Å; C361-S363 PolarHBondContact O-N 3.07Å
362	P	59.4	Low	58.6	Low	67 Å²	67	131.9 Å²	131.9	44%	0.435	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-59.4	121.5	163.3	-17.6	31.2	0	0	0	108.7	Y360	Y360-P362 HydrophobicContact CD1-CG 4.43Å; Y360-P362 HydrophobicContact CE1-CG 3.96Å; Y360-P362 WeakPolarHBondContact O-CD 3.47Å
363	S	58.3	Low	60.4	Low	64 Å²	64	130.2 Å²	130.2	45%	0.448	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-51.6	139.4	177.8	59.3	0	0	0	0	111.2	C361 D365 S366	C361-S363 PolarHBondContact O-N 3.07Å; S363-D365 PolarHBondContact O-N 2.85Å; S363-D365 VanDerWaalsContact O-N 3.15Å; S363-S366 WeakPolarHBondContact O-CA 3.43Å; S363-S366 VanDerWaalsContact O-CB 3.27Å; S363-S366 WeakPolarHBondContact O-CB 3.35Å; S363-S366 PolarHBondContact O-N 2.91Å; S363-S366 VanDerWaalsContact OG-CB 3.32Å; S363-S366 WeakPolarHBondContact OG-CB 3.36Å; S363-S366 PolarHBondContact OG-N 2.93Å; S363-S366 PolarHBondContact OG-OG 3.35Å
364	E	61.2	Low	62.7	Low	202 Å²	202	129.9 Å²	129.9	94%	0.944	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-26.1	-179.7	-59.2	-172.3	137.7	0	0	113.3	S366	E364-S366 VanDerWaalsContact C-N 3.29Å; E364-S366 PolarHBondContact O-N 3.03Å
365	D	60.8	Low	64.8	Low	169 Å²	169	133.1 Å²	133.1	90%	0.904	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	170	-83.8	-36.3	0	0	0	113.8	S363 G367	S363-D365 PolarHBondContact O-N 2.85Å; S363-D365 VanDerWaalsContact O-N 3.15Å; D365-G367 VanDerWaalsContact C-N 3.27Å; D365-G367 PolarHBondContact O-N 2.84Å
366	S	57.4	Low	66.6	Low	66 Å²	66	132.3 Å²	132.3	46%	0.462	67%	0.674	S	S	.	*	S	Bend	trans	-77.7	84.1	168.1	-68.3	0	0	0	0	108.1	S363 E364	S363-S366 WeakPolarHBondContact O-CA 3.43Å; S363-S366 VanDerWaalsContact O-CB 3.27Å; S363-S366 WeakPolarHBondContact O-CB 3.35Å; S363-S366 PolarHBondContact O-N 2.91Å; S363-S366 VanDerWaalsContact OG-CB 3.32Å; S363-S366 WeakPolarHBondContact OG-CB 3.36Å; S363-S366 PolarHBondContact OG-N 2.93Å; S363-S366 PolarHBondContact OG-OG 3.35Å; E364-S366 VanDerWaalsContact C-N 3.29Å; E364-S366 PolarHBondContact O-N 3.03Å
367	G	57.9	Low	68.2	Low	36 Å²	36	124.9 Å²	124.9	37%	0.371	65%	0.646	S	S	.	*			trans	-61.4	-161.7	-179.2	0	0	0	0	0	114.3	D365 D369 W370	D365-G367 VanDerWaalsContact C-N 3.27Å; D365-G367 PolarHBondContact O-N 2.84Å; G367-D369 PolarHBondContact O-N 3.27Å; G367-W370 PolarHBondContact O-N 3.43Å
368	R	58	Low	69.7	Low	222 Å²	222	129.5 Å²	129.5	84%	0.838	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-54.3	-16.8	-175	-80	-171.4	-71.6	-106.9	-2.3	115	W370 K371	R368-W370 PolarHBondContact O-N 3Å; R368-W370 VanDerWaalsContact O-N 3.1Å; R368-K371 WeakPolarHBondContact O-CA 3.32Å; R368-K371 WeakPolarHBondContact O-CB 3.44Å; R368-K371 PolarHBondContact O-N 2.97Å
369	D	62.1	Low	71.4	Confident	148 Å²	148	128.7 Å²	128.7	79%	0.791	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-53.5	-20.8	174.9	-56.7	2.1	0	0	0	114.4	G367 K371	G367-D369 PolarHBondContact O-N 3.27Å; D369-K371 PolarHBondContact O-N 3.32Å
370	W	65	Low	72.8	Confident	158 Å²	158	127.7 Å²	127.7	60%	0.598	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-62.5	-28.8	169.4	73.7	-106	0	0	0	112.6	G367 R368 G372	G367-W370 PolarHBondContact O-N 3.43Å; R368-W370 PolarHBondContact O-N 3Å; R368-W370 VanDerWaalsContact O-N 3.1Å; W370-G372 PolarHBondContact O-N 3.34Å
371	K	65.5	Low	74.2	Confident	102 Å²	102	124.2 Å²	124.2	44%	0.443	64%	0.641	S	S	.	*	S	Bend	trans	-83.9	83.7	161.8	-73.3	-175.7	173.6	172.2	0	109	G345 R368 D369 E373	G345-K371 PolarHBondContact O-NZ 3.49Å; R368-K371 WeakPolarHBondContact O-CA 3.32Å; R368-K371 WeakPolarHBondContact O-CB 3.44Å; R368-K371 PolarHBondContact O-N 2.97Å; D369-K371 PolarHBondContact O-N 3.32Å; K371-E373 PolarHBondContact O-N 2.92Å
372	G	72.9	Confident	75.6	Confident	62 Å²	62	123.2 Å²	123.2	64%	0.639	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-54.2	134.8	176.1	0	0	0	0	0	113.2	W370	W370-G372 PolarHBondContact O-N 3.34Å
373	E	82.1	Confident	77	Confident	165 Å²	165	127.5 Å²	127.5	77%	0.771	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.2	129.2	-173.4	-172.4	-174.4	-152.4	0	0	113.2	K371 K375	K371-E373 PolarHBondContact O-N 2.92Å; E373-K375 PolarHBondContact O-N 3.2Å
374	I	87.8	Confident	78.3	Confident	140 Å²	140	131.3 Å²	131.3	72%	0.718	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-73.6	120.9	174.8	-58.8	175.6	0	0	0	109.8
375	K	90.6	Very high	79.4	Confident	123 Å²	123	126.8 Å²	126.8	54%	0.535	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-94.3	136.7	-177.7	-60.4	-173.5	-179.2	179.6	0	112.3	E373 Y380	E373-K375 PolarHBondContact O-N 3.2Å; K375-Y380 HydrophobicContact CB-CD1 3.77Å; K375-Y380 HydrophobicContact CB-CD2 3.93Å; K375-Y380 HydrophobicContact CB-CE1 3.81Å; K375-Y380 HydrophobicContact CB-CE2 3.97Å; K375-Y380 HydrophobicContact CB-CG 3.84Å; K375-Y380 HydrophobicContact CD-CD1 4.44Å; K375-Y380 HydrophobicContact CD-CE1 3.69Å; K375-Y380 HydrophobicContact CG-CE1 4.36Å
376	I	91.8	Very high	80.1	Confident	137 Å²	137	127.1 Å²	127.1	70%	0.703	66%	0.661	S	S	*	*			trans	-121.5	139.3	-177.4	-58	176.6	0	0	0	108.4
377	G	90.4	Very high	80.7	Confident	25 Å²	25	131.3 Å²	131.3	26%	0.258	68%	0.677	S	S	.	*	S	Bend	trans	143.5	163.4	-178	0	0	0	0	0	112.7	D379 Y380 Q381	G377-D379 PolarHBondContact O-N 3.43Å; G377-Y380 PolarHBondContact O-N 3.49Å; G377-Q381 PolarHBondContact O-N 2.94Å; G377-Q381 PolarHBondContact O-OE1 2.99Å
378	E	92.5	Very high	80.9	Confident	194 Å²	194	134.8 Å²	134.8	91%	0.907	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-24.7	-178	-61.3	178.7	177.4	0	0	113.6	Y380	E378-Y380 VanDerWaalsContact C-N 3.26Å; E378-Y380 PolarHBondContact O-N 2.82Å
379	D	93.4	Very high	80.9	Confident	160 Å²	160	130.6 Å²	130.6	86%	0.856	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-12.7	172.9	-73.3	-46.8	0	0	0	113.7	G377	G377-D379 PolarHBondContact O-N 3.43Å
380	Y	94.3	Very high	80.6	Confident	143 Å²	143	127.5 Å²	127.5	56%	0.561	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	-29.3	-174.3	-55.7	-75.5	0	0	0	113.6	K375 G377 E378	K375-Y380 HydrophobicContact CB-CD1 3.77Å; K375-Y380 HydrophobicContact CB-CD2 3.93Å; K375-Y380 HydrophobicContact CB-CE1 3.81Å; K375-Y380 HydrophobicContact CB-CE2 3.97Å; K375-Y380 HydrophobicContact CB-CG 3.84Å; K375-Y380 HydrophobicContact CD-CD1 4.44Å; K375-Y380 HydrophobicContact CD-CE1 3.69Å; K375-Y380 HydrophobicContact CG-CE1 4.36Å; G377-Y380 PolarHBondContact O-N 3.49Å; E378-Y380 VanDerWaalsContact C-N 3.26Å; E378-Y380 PolarHBondContact O-N 2.82Å
381	Q	94.4	Very high	80	Confident	115 Å²	115	124.8 Å²	124.8	54%	0.537	68%	0.684	S	S	.	*	S	Bend	trans	-95.8	135.4	-173.1	-65.7	169	-78.4	0	0	111.3	G377	G377-Q381 PolarHBondContact O-N 2.94Å; G377-Q381 PolarHBondContact O-OE1 2.99Å
382	A	92.4	Very high	79.3	Confident	90 Å²	90	126.4 Å²	126.4	74%	0.744	70%	0.698	S	S	*	*			trans	-68.4	136.6	177.9	0	0	0	0	0	111.7	I384	A382-I384 PolarHBondContact O-N 3.1Å
383	N	88.5	Confident	78.3	Confident	156 Å²	156	126.8 Å²	126.8	83%	0.834	69%	0.687	S	S	*	*			trans	-69.9	113.7	169.2	-175.7	-0.9	0	0	0	109.4	P385	N383-P385 WeakPolarHBondContact O-CD 3.42Å
384	I	86.3	Confident	77.1	Confident	144 Å²	144	125.7 Å²	125.7	74%	0.738	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-77.5	117	-174	-55.6	176.9	0	0	0	109.5	A382 M386	A382-I384 PolarHBondContact O-N 3.1Å; I384-M386 PolarHBondContact O-N 3.45Å
385	P	82.3	Confident	75.3	Confident	107 Å²	107	126 Å²	126	70%	0.695	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-63.2	134.7	177.2	-20.9	33.8	0	0	0	111.3	N383 L387	N383-P385 WeakPolarHBondContact O-CD 3.42Å; P385-L387 PolarHBondContact O-N 3.04Å
386	M	76.1	Confident	73	Confident	177 Å²	177	127.4 Å²	127.4	87%	0.872	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.6	122.2	175.5	-69.5	-138.9	-57.1	0	0	110.9	I384 V388	I384-M386 PolarHBondContact O-N 3.45Å; M386-V388 PolarHBondContact O-N 3.41Å
387	L	70.1	Confident	70.5	Confident	153 Å²	153	129.3 Å²	129.3	80%	0.801	71%	0.708	S	S	*	*			trans	-69.9	99.2	174.3	-62.8	179	0	0	0	110.2	P385 L389	P385-L387 PolarHBondContact O-N 3.04Å; L387-L389 PolarHBondContact O-N 3.49Å
388	V	63.4	Low	68	Low	109 Å²	109	134.4 Å²	134.4	66%	0.661	74%	0.738	S	S	*	*			trans	-70.6	98.7	167.5	-177.3	0	0	0	0	108.1	M386 A390	M386-V388 PolarHBondContact O-N 3.41Å; V388-A390 PolarHBondContact O-N 2.67Å
389	L	56.1	Low	65.5	Low	135 Å²	135	130.9 Å²	130.9	71%	0.707	73%	0.726	S	S	*	*			trans	-60.7	121.8	169.6	-74.5	166.4	0	0	0	109	L387 S391 N392	L387-L389 PolarHBondContact O-N 3.49Å; L389-S391 PolarHBondContact O-N 2.78Å; L389-N392 PolarHBondContact O-N 3Å
390	A	56.1	Low	63.3	Low	82 Å²	82	132.1 Å²	132.1	68%	0.678	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-64.1	-5.8	-174	0	0	0	0	0	114.7	V388 N392 V393	V388-A390 PolarHBondContact O-N 2.67Å; A390-N392 PolarHBondContact O-N 3.11Å; A390-V393 PolarHBondContact O-N 2.81Å
391	S	53.4	Low	61	Low	102 Å²	102	128.7 Å²	128.7	71%	0.713	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-62.1	-9.8	176.2	-168	0	0	0	0	114.4	L389	L389-S391 PolarHBondContact O-N 2.78Å
392	N	50.6	Low	58.6	Low	135 Å²	135	129 Å²	129	72%	0.722	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-99.8	-4.4	-173.3	-59.4	17.6	0	0	0	113.3	L389 A390	L389-N392 PolarHBondContact O-N 3Å; A390-N392 PolarHBondContact O-N 3.11Å
393	V	52.6	Low	56.5	Low	70 Å²	70	127.7 Å²	127.7	42%	0.424	71%	0.713	S	S	.	*			trans	-120.6	49.6	-163.5	-160.2	0	0	0	0	111.7	A390 L402	A390-V393 PolarHBondContact O-N 2.81Å; V393-L402 HydrophobicContact CG1-CD2 3.94Å
394	I	55.3	Low	54.7	Low	142 Å²	142	128.1 Å²	128.1	73%	0.728	70%	0.704	S	S	*	*	S	Bend	trans	-101.7	-32	176.8	-64.1	179.4	0	0	0	111.9
395	D	51.5	Low	53.1	Low	148 Å²	148	130.2 Å²	130.2	79%	0.791	70%	0.704	S	S	*	*	S	Bend	trans	-101.6	-17.3	-167	-62.3	-46.9	0	0	0	115.8
396	N	42.1	Very low	51.6	Low	152 Å²	152	126.7 Å²	126.7	81%	0.813	69%	0.687	S	S	*	*			trans	-96	104.6	-178.1	-81.6	-11	0	0	0	112
397	Q	39.5	Very low	50.6	Low	176 Å²	176	120.6 Å²	120.6	82%	0.822	66%	0.662	S	S	*	*			trans	-71.9	158.6	170.6	-68.7	167.6	9.3	0	0	111.8
398	C	37.2	Very low	49.9	Very low	132 Å²	132	118.6 Å²	118.6	89%	0.892	65%	0.648	S	S	*	*			trans	48.5	74	165.4	64.4	0	0	0	0	117.7
399	D	39.3	Very low	49.5	Very low	121 Å²	121	119.7 Å²	119.7	65%	0.647	64%	0.641	S	S	*	*			trans	-136.2	128.5	134.9	-166.9	-1.3	0	0	0	110.3	S401	D399-S401 WeakPolarHBondContact OD1-CB 3.48Å; D399-S401 PolarHBondContact OD1-N 3.15Å; D399-S401 PolarHBondContact OD1-OG 2.6Å; D399-S401 WeakPolarHBondContact OD2-CB 3.42Å; D399-S401 PolarHBondContact OD2-OG 2.97Å
400	E	47	Very low	49.8	Very low	186 Å²	186	118.4 Å²	118.4	87%	0.869	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-79	-10.7	179.2	-159.4	167.3	-172	0	0	111.2	L402	E400-L402 VanDerWaalsContact C-N 3.27Å; E400-L402 PolarHBondContact O-N 2.74Å
401	S	47.1	Very low	50.1	Low	70 Å²	70	121.9 Å²	121.9	49%	0.49	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-70.1	-14.6	177.3	80.2	0	0	0	0	115.2	D399 S403	D399-S401 WeakPolarHBondContact OD1-CB 3.48Å; D399-S401 PolarHBondContact OD1-N 3.15Å; D399-S401 PolarHBondContact OD1-OG 2.6Å; D399-S401 WeakPolarHBondContact OD2-CB 3.42Å; D399-S401 PolarHBondContact OD2-OG 2.97Å; S401-S403 PolarHBondContact O-N 3.13Å
402	L	44.5	Very low	50.8	Low	123 Å²	123	124.8 Å²	124.8	64%	0.644	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-92.9	16.9	-171.9	-147.7	76	0	0	0	114.4	V393 E400 Y404	V393-L402 HydrophobicContact CG1-CD2 3.94Å; E400-L402 VanDerWaalsContact C-N 3.27Å; E400-L402 PolarHBondContact O-N 2.74Å; L402-Y404 PolarHBondContact O-N 2.74Å; L402-Y404 VanDerWaalsContact O-N 3.07Å
403	S	47.3	Very low	52	Low	61 Å²	61	125 Å²	125	43%	0.427	63%	0.633	S	S	.	*	S	Bend	trans	-62.4	109.9	169.2	58.1	0	0	0	0	110.1	S401 Y405	S401-S403 PolarHBondContact O-N 3.13Å; S403-Y405 PolarHBondContact O-N 3.03Å; S403-Y405 VanDerWaalsContact O-N 3.09Å
404	Y	51.9	Low	53.5	Low	165 Å²	165	124.9 Å²	124.9	65%	0.647	63%	0.634	S	S	*	*			trans	-39.6	111	-175.4	-171.5	-90.6	0	0	0	112.4	L402 G406 S407	L402-Y404 PolarHBondContact O-N 2.74Å; L402-Y404 VanDerWaalsContact O-N 3.07Å; Y404-G406 PolarHBondContact O-N 2.9Å; Y404-S407 WeakPolarHBondContact CD1-OG 3.42Å; Y404-S407 PolarHBondContact O-N 2.7Å
405	Y	52.3	Low	54.8	Low	189 Å²	189	122.7 Å²	122.7	74%	0.741	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-7.9	-158.6	-110	-108.6	0	0	0	117.2	S403 R409	S403-Y405 PolarHBondContact O-N 3.03Å; S403-Y405 VanDerWaalsContact O-N 3.09Å; Y405-R409 VanDerWaalsContact O-CD 3.23Å; Y405-R409 WeakPolarHBondContact O-CD 3.33Å; Y405-R409 PolarHBondContact O-NE 3.39Å
406	G	50.8	Low	56.4	Low	33 Å²	33	120.9 Å²	120.9	34%	0.34	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.5	-38.1	170.8	0	0	0	0	0	114.8	Y404 R409 I410	Y404-G406 PolarHBondContact O-N 2.9Å; G406-R409 WeakPolarHBondContact O-CB 3.45Å; G406-R409 PolarHBondContact O-N 3.23Å; G406-I410 WeakPolarHBondContact O-CD1 3.33Å; G406-I410 VanDerWaalsContact O-CG1 3.29Å; G406-I410 WeakPolarHBondContact O-CG1 3.4Å; G406-I410 PolarHBondContact O-N 2.66Å
407	S	55.1	Low	58.6	Low	49 Å²	49	118.9 Å²	118.9	34%	0.343	61%	0.611	S	S	.	*	H	α-helix	trans	-70.4	-46.1	-168.9	-60.5	0	0	0	0	112.7	Y404 R409 I410 F411	Y404-S407 WeakPolarHBondContact CD1-OG 3.42Å; Y404-S407 PolarHBondContact O-N 2.7Å; S407-R409 VanDerWaalsContact C-N 3.27Å; S407-R409 PolarHBondContact O-N 2.92Å; S407-I410 PolarHBondContact O-N 2.76Å; S407-F411 WeakPolarHBondContact O-CD2 3.39Å; S407-F411 PolarHBondContact O-N 3.26Å; S407-F411 VanDerWaalsContact O-N 3.13Å
408	E	54.4	Low	61	Low	111 Å²	111	115.3 Å²	115.3	52%	0.519	59%	0.589	S	S	.	*	H	α-helix	trans	-67.3	-33.1	179.2	-156.4	61.2	-152.4	0	0	111.3	F411 Q412	E408-F411 PolarHBondContact O-N 2.71Å; E408-Q412 VanDerWaalsContact O-CB 3.31Å; E408-Q412 WeakPolarHBondContact O-CB 3.41Å; E408-Q412 PolarHBondContact O-N 2.9Å
409	R	56.2	Low	63.4	Low	131 Å²	131	114.8 Å²	114.8	49%	0.494	57%	0.572	S	S	.	*	H	α-helix	trans	-62.4	-45	170.9	-69.4	-175	176.7	-89	-4.7	111.8	Y405 G406 S407 F411 Q412 E413	Y405-R409 VanDerWaalsContact O-CD 3.23Å; Y405-R409 WeakPolarHBondContact O-CD 3.33Å; Y405-R409 PolarHBondContact O-NE 3.39Å; G406-R409 WeakPolarHBondContact O-CB 3.45Å; G406-R409 PolarHBondContact O-N 3.23Å; S407-R409 VanDerWaalsContact C-N 3.27Å; S407-R409 PolarHBondContact O-N 2.92Å; R409-F411 VanDerWaalsContact C-N 3.28Å; R409-F411 PolarHBondContact O-N 2.61Å; R409-Q412 PolarHBondContact O-N 3.02Å; R409-Q412 VanDerWaalsContact O-N 3.1Å; R409-E413 IonicContact NH1-OE1 3.44Å; R409-E413 PolarHBondContact NH1-OE1 3.35Å; R409-E413 VanDerWaalsContact O-CB 3.24Å; R409-E413 WeakPolarHBondContact O-CB 3.25Å; R409-E413 WeakPolarHBondContact O-CG 3.33Å; R409-E413 PolarHBondContact O-N 2.76Å
410	I	62.2	Low	65.7	Low	108 Å²	108	114.4 Å²	114.4	55%	0.554	58%	0.576	S	S	*	*	H	α-helix	trans	-58.4	-42.1	176.8	-69.3	160.5	0	0	0	110.3	G406 S407 S414	G406-I410 WeakPolarHBondContact O-CD1 3.33Å; G406-I410 VanDerWaalsContact O-CG1 3.29Å; G406-I410 WeakPolarHBondContact O-CG1 3.4Å; G406-I410 PolarHBondContact O-N 2.66Å; S407-I410 PolarHBondContact O-N 2.76Å; I410-S414 WeakPolarHBondContact O-CB 3.14Å; I410-S414 PolarHBondContact O-N 3.32Å; I410-S414 PolarHBondContact O-OG 3.13Å
411	F	62.9	Low	67.4	Low	155 Å²	155	107 Å²	107	68%	0.68	55%	0.545	S	S	*	.	H	α-helix	trans	-72.3	-25.1	176.3	-67.6	-60.4	0	0	0	114.7	S407 E408 R409	S407-F411 WeakPolarHBondContact O-CD2 3.39Å; S407-F411 PolarHBondContact O-N 3.26Å; S407-F411 VanDerWaalsContact O-N 3.13Å; E408-F411 PolarHBondContact O-N 2.71Å; R409-F411 VanDerWaalsContact C-N 3.28Å; R409-F411 PolarHBondContact O-N 2.61Å
412	Q	67.2	Low	69.1	Low	164 Å²	164	113.7 Å²	113.7	77%	0.766	57%	0.568	S	S	*	*	H	α-helix	trans	-90.2	-27	179.3	-173.9	164.5	79.8	0	0	113.6	E408 R409	E408-Q412 VanDerWaalsContact O-CB 3.31Å; E408-Q412 WeakPolarHBondContact O-CB 3.41Å; E408-Q412 PolarHBondContact O-N 2.9Å; R409-Q412 PolarHBondContact O-N 3.02Å; R409-Q412 VanDerWaalsContact O-N 3.1Å
413	E	76.5	Confident	70.8	Confident	140 Å²	140	116.8 Å²	116.8	65%	0.654	58%	0.577	S	S	*	*	H	α-helix	trans	-100.4	-19.1	-177.6	-62.4	174.2	-160	0	0	112.6	R409	R409-E413 IonicContact NH1-OE1 3.44Å; R409-E413 PolarHBondContact NH1-OE1 3.35Å; R409-E413 VanDerWaalsContact O-CB 3.24Å; R409-E413 WeakPolarHBondContact O-CB 3.25Å; R409-E413 WeakPolarHBondContact O-CG 3.33Å; R409-E413 PolarHBondContact O-N 2.76Å
414	S	83.7	Confident	72.5	Confident	66 Å²	66	115.5 Å²	115.5	46%	0.462	57%	0.565	S	S	.	*			trans	-100.2	161.6	174.1	77.7	0	0	0	0	113.4	I410	I410-S414 WeakPolarHBondContact O-CB 3.14Å; I410-S414 PolarHBondContact O-N 3.32Å; I410-S414 PolarHBondContact O-OG 3.13Å
415	S	82.3	Confident	74.1	Confident	97 Å²	97	110.4 Å²	110.4	68%	0.678	55%	0.553	S	S	*	*			trans	-125.5	131.7	172.9	-75.4	0	0	0	0	110	L417	S415-L417 PolarHBondContact O-N 3.19Å
416	L	85.6	Confident	75.8	Confident	110 Å²	110	109.2 Å²	109.2	58%	0.576	55%	0.554	S	S	*	*			trans	-69.7	117.3	175.4	-171	67.4	0	0	0	110	W418 K419 M460 R461	L416-W418 VanDerWaalsContact CD1-O 3.28Å; L416-W418 WeakPolarHBondContact CD1-O 3.28Å; L416-K419 HydrophobicContact CD1-CB 4.47Å; L416-K419 HydrophobicContact CD2-CB 4.43Å; L416-M460 HydrophobicContact CD2-SD 4.41Å; L416-M460 HydrophobicContact CG-SD 4.14Å; L416-R461 PolarHBondContact O-NH2 2.86Å
417	L	87.5	Confident	77.7	Confident	110 Å²	110	112.7 Å²	112.7	58%	0.576	57%	0.569	S	S	*	*			trans	-104.2	-35.8	179.1	-60.2	-176.8	0	0	0	113	S415 F457 M460	S415-L417 PolarHBondContact O-N 3.19Å; L417-F457 HydrophobicContact CB-CD2 4.46Å; L417-F457 HydrophobicContact CD2-CD2 4.07Å; L417-F457 HydrophobicContact CD2-CE2 3.77Å; L417-M460 VanDerWaalsContact O-CE 3.23Å; L417-M460 WeakPolarHBondContact O-CE 3.23Å
418	W	90.1	Very high	79.3	Confident	100 Å²	100	113.4 Å²	113.4	38%	0.379	57%	0.569	S	S	.	*			trans	-144.3	154	174.3	-175.7	-112.1	0	0	0	110.3	L416 L424 L456 L459 M460 Y464	L416-W418 VanDerWaalsContact CD1-O 3.28Å; L416-W418 WeakPolarHBondContact CD1-O 3.28Å; W418-L424 HydrophobicContact CH2-CD2 3.62Å; W418-L424 HydrophobicContact CZ2-CD2 3.88Å; W418-L456 HydrophobicContact CE3-CB 4.25Å; W418-L456 HydrophobicContact CH2-CD2 4.28Å; W418-L456 HydrophobicContact CZ3-CB 4.18Å; W418-L456 HydrophobicContact CZ3-CD2 4.34Å; W418-L456 VanDerWaalsContact CZ3-O 3.25Å; W418-L456 WeakPolarHBondContact CZ3-O 3.31Å; W418-L459 HydrophobicContact CH2-CD2 4.31Å; W418-M460 VanDerWaalsContact CA-SD 3.55Å; W418-M460 HydrophobicContact CE3-CB 3.84Å; W418-M460 HydrophobicContact CZ3-CB 4.06Å; W418-Y464 HydrophobicContact CE3-CE1 4.47Å; W418-Y464 HydrophobicContact CH2-CD1 4.1Å; W418-Y464 AromaticContact CH2-CE1 3.97Å; W418-Y464 HydrophobicContact CH2-CE1 3.97Å; W418-Y464 HydrophobicContact CZ2-CE1 4.41Å; W418-Y464 HydrophobicContact CZ3-CD1 4.32Å; W418-Y464 AromaticContact CZ3-CE1 3.99Å; W418-Y464 HydrophobicContact CZ3-CE1 3.99Å
419	K	87.8	Confident	81	Confident	122 Å²	122	109.1 Å²	109.1	53%	0.53	55%	0.55	S	S	.	.			trans	-142.5	132.3	170.5	161.5	176.9	175.8	-176	0	109	L416 Y464	L416-K419 HydrophobicContact CD1-CB 4.47Å; L416-K419 HydrophobicContact CD2-CB 4.43Å; K419-Y464 WeakPolarHBondContact CB-OH 3.37Å; K419-Y464 PolarHBondContact O-OH 2.94Å
420	P	87.7	Confident	82.5	Confident	112 Å²	112	105 Å²	105	73%	0.727	54%	0.539	S	S	*	.			trans	-58.7	137.9	170.8	-25	35.2	0	0	0	112
421	S	82.3	Confident	83.7	Confident	31 Å²	31	107.8 Å²	107.8	22%	0.217	54%	0.543	C	S	.	.			trans	-133.1	119	-174.9	-175.9	0	0	0	0	110.7	K423 L424 Y464	S421-K423 PolarHBondContact O-N 3.1Å; S421-L424 PolarHBondContact O-N 2.93Å; S421-L424 VanDerWaalsContact O-N 3.13Å; S421-Y464 WeakPolarHBondContact OG-CD2 3.27Å
422	E	82.8	Confident	84.9	Confident	210 Å²	210	100.6 Å²	100.6	98%	0.981	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.8	178.6	-62	174.6	178.3	0	0	113.9
423	K	79.2	Confident	85.9	Confident	188 Å²	188	93.6 Å²	93.6	82%	0.817	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-19.5	179.6	-64.8	-179.7	178.6	178.7	0	113.8	S421	S421-K423 PolarHBondContact O-N 3.1Å
424	L	83.8	Confident	86.4	Confident	34 Å²	34	90.3 Å²	90.3	18%	0.178	46%	0.46	C	S	.	.			trans	-100.5	115	-167.8	-177.7	65.2	0	0	0	109.4	W418 S421 D428 V429 L459 Y464	W418-L424 HydrophobicContact CH2-CD2 3.62Å; W418-L424 HydrophobicContact CZ2-CD2 3.88Å; S421-L424 PolarHBondContact O-N 2.93Å; S421-L424 VanDerWaalsContact O-N 3.13Å; L424-D428 HydrophobicContact CD1-CB 4.4Å; L424-V429 HydrophobicContact CD1-CG2 3.76Å; L424-V429 HydrophobicContact CD2-CG2 3.59Å; L424-V429 HydrophobicContact CG-CG2 3.54Å; L424-L459 HydrophobicContact CD1-CD2 4.27Å; L424-L459 HydrophobicContact CD2-CD2 4.18Å; L424-Y464 HydrophobicContact CD2-CD1 3.84Å; L424-Y464 HydrophobicContact CD2-CG 4.48Å
425	C	86.4	Confident	86.4	Confident	59 Å²	59	88.7 Å²	88.7	40%	0.399	45%	0.449	S	S	.	.			trans	-90.7	149	173.8	89.5	0	0	0	0	111.1	T427 D428 V429	C425-T427 VanDerWaalsContact C-N 3.26Å; C425-T427 PolarHBondContact O-N 3.41Å; C425-D428 PolarHBondContact O-N 3.07Å; C425-D428 PolarHBondContact SG-OD2 2.98Å; C425-V429 PolarHBondContact O-N 3.46Å
426	E	88	Confident	86.6	Confident	164 Å²	164	84.2 Å²	84.2	77%	0.766	42%	0.417	S	S	*	.	H	α-helix	trans	-51.1	-44.2	-179.3	-172.3	178.2	178.5	0	0	112.2	D428 V429 T430	E426-D428 VanDerWaalsContact C-N 3.27Å; E426-D428 PolarHBondContact O-N 3.09Å; E426-V429 WeakPolarHBondContact O-CB 3.49Å; E426-V429 PolarHBondContact O-N 3.17Å; E426-T430 PolarHBondContact O-N 3.41Å; E426-T430 PolarHBondContact O-OG1 2.61Å; E426-T430 VanDerWaalsContact O-OG1 3.09Å
427	T	88.9	Confident	86.4	Confident	106 Å²	106	79.6 Å²	79.6	65%	0.65	40%	0.395	S	S	*	.	H	α-helix	trans	-56.3	-36.5	176.8	-45.1	0	0	0	0	113.6	C425 R431	C425-T427 VanDerWaalsContact C-N 3.26Å; C425-T427 PolarHBondContact O-N 3.41Å; T427-R431 WeakPolarHBondContact O-CB 3.22Å; T427-R431 PolarHBondContact O-N 3.36Å; T427-R431 VanDerWaalsContact O-N 3.09Å
428	D	89.2	Confident	86	Confident	63 Å²	63	79.5 Å²	79.5	34%	0.337	39%	0.392	S	S	.	.	H	α-helix	trans	-75.4	-33.2	178.7	-68.7	-45.3	0	0	0	111.4	L424 C425 E426 F432	L424-D428 HydrophobicContact CD1-CB 4.4Å; C425-D428 PolarHBondContact O-N 3.07Å; C425-D428 PolarHBondContact SG-OD2 2.98Å; E426-D428 VanDerWaalsContact C-N 3.27Å; E426-D428 PolarHBondContact O-N 3.09Å; D428-F432 VanDerWaalsContact O-CB 3.25Å; D428-F432 WeakPolarHBondContact O-CB 3.44Å; D428-F432 PolarHBondContact O-N 3.43Å
429	V	89.5	Confident	85.3	Confident	21 Å²	21	77 Å²	77	13%	0.127	39%	0.387	C	S	.	.	H	α-helix	trans	-64.5	-56	172.6	-175.2	0	0	0	0	110.3	L424 C425 E426 R431 F432 E433 L456	L424-V429 HydrophobicContact CD1-CG2 3.76Å; L424-V429 HydrophobicContact CD2-CG2 3.59Å; L424-V429 HydrophobicContact CG-CG2 3.54Å; C425-V429 PolarHBondContact O-N 3.46Å; E426-V429 WeakPolarHBondContact O-CB 3.49Å; E426-V429 PolarHBondContact O-N 3.17Å; V429-R431 PolarHBondContact O-N 3.03Å; V429-R431 VanDerWaalsContact O-N 3.15Å; V429-F432 CarbonylContact O-C 3.54Å; V429-F432 WeakPolarHBondContact O-CA 3.45Å; V429-F432 WeakPolarHBondContact O-CB 3.41Å; V429-F432 PolarHBondContact O-N 3.46Å; V429-E433 HydrophobicContact CG1-CG 4.2Å; V429-E433 WeakPolarHBondContact O-CG 3.4Å; V429-E433 PolarHBondContact O-N 3Å; V429-L456 HydrophobicContact CG1-CD2 3.73Å
430	T	88.2	Confident	84.6	Confident	44 Å²	44	72.1 Å²	72.1	27%	0.27	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-26.3	-179	-40.2	0	0	0	0	112.6	E426 E433 R434 T449	E426-T430 PolarHBondContact O-N 3.41Å; E426-T430 PolarHBondContact O-OG1 2.61Å; E426-T430 VanDerWaalsContact O-OG1 3.09Å; T430-E433 WeakPolarHBondContact CA-OE2 3.42Å; T430-R434 VanDerWaalsContact O-CB 3.25Å; T430-R434 WeakPolarHBondContact O-CB 3.39Å; T430-R434 PolarHBondContact O-N 3.12Å; T430-R434 PolarHBondContact O-NH1 3.48Å; T430-T449 HydrophobicContact CG2-CG2 3.8Å
431	R	87.8	Confident	83.7	Confident	168 Å²	168	69.7 Å²	69.7	63%	0.634	35%	0.348	S	S	*	.	H	α-helix	trans	-74.4	-44.3	171.2	-177.8	177.8	174.5	-140.2	-9.3	111.5	T427 V429 S435	T427-R431 WeakPolarHBondContact O-CB 3.22Å; T427-R431 PolarHBondContact O-N 3.36Å; T427-R431 VanDerWaalsContact O-N 3.09Å; V429-R431 PolarHBondContact O-N 3.03Å; V429-R431 VanDerWaalsContact O-N 3.15Å; R431-S435 WeakPolarHBondContact O-CB 3.43Å; R431-S435 PolarHBondContact O-N 2.79Å; R431-S435 PolarHBondContact O-OG 2.75Å
432	F	89.3	Confident	82.6	Confident	3 Å²	3	72.8 Å²	72.8	1%	0.013	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-48.7	177	167.9	-97	0	0	0	111.7	D428 V429 R434 S435 Y436 A455 L459 T466 A469 L470	D428-F432 VanDerWaalsContact O-CB 3.25Å; D428-F432 WeakPolarHBondContact O-CB 3.44Å; D428-F432 PolarHBondContact O-N 3.43Å; V429-F432 CarbonylContact O-C 3.54Å; V429-F432 WeakPolarHBondContact O-CA 3.45Å; V429-F432 WeakPolarHBondContact O-CB 3.41Å; V429-F432 PolarHBondContact O-N 3.46Å; F432-R434 PolarHBondContact O-N 2.97Å; F432-S435 CarbonylContact O-C 3.2Å; F432-S435 WeakPolarHBondContact O-CA 3.15Å; F432-S435 WeakPolarHBondContact O-CB 3.49Å; F432-S435 PolarHBondContact O-N 2.8Å; F432-Y436 HydrophobicContact CE1-CD2 4.49Å; F432-Y436 HydrophobicContact CZ-CD2 4.02Å; F432-Y436 WeakPolarHBondContact O-CB 3.29Å; F432-Y436 PolarHBondContact O-N 3.15Å; F432-A455 HydrophobicContact CE1-CB 3.85Å; F432-A455 VanDerWaalsContact CE1-O 3.29Å; F432-A455 WeakPolarHBondContact CE1-O 3.49Å; F432-A455 HydrophobicContact CZ-CB 4.46Å; F432-L459 HydrophobicContact CD1-CB 4.28Å; F432-L459 HydrophobicContact CD1-CD2 3.94Å; F432-L459 HydrophobicContact CD1-CG 4.5Å; F432-L459 HydrophobicContact CE1-CB 3.82Å; F432-L459 HydrophobicContact CE1-CD2 4.32Å; F432-L459 HydrophobicContact CE1-CG 4.5Å; F432-L459 HydrophobicContact CG-CD1 4.5Å; F432-L459 HydrophobicContact CG-CD2 4.39Å; F432-L459 HydrophobicContact CZ-CB 4.12Å; F432-T466 HydrophobicContact CB-CG2 3.81Å; F432-T466 HydrophobicContact CD2-CG2 4.22Å; F432-T466 HydrophobicContact CG-CG2 4.18Å; F432-A469 HydrophobicContact CD2-CB 4.37Å; F432-A469 HydrophobicContact CE2-CB 3.47Å; F432-A469 VanDerWaalsContact CE2-CB 3.47Å; F432-A469 HydrophobicContact CZ-CB 3.91Å; F432-L470 HydrophobicContact CD2-CD1 4.4Å; F432-L470 HydrophobicContact CD2-CD2 4.17Å; F432-L470 HydrophobicContact CD2-CG 3.94Å; F432-L470 HydrophobicContact CE2-CD2 4.01Å; F432-L470 HydrophobicContact CE2-CG 3.93Å
433	E	87.9	Confident	81.2	Confident	18 Å²	18	67.5 Å²	67.5	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-57.6	-48.2	176.8	-68.6	168.7	150.3	0	0	111.8	V429 T430 S435 Y436 A437 T449	V429-E433 HydrophobicContact CG1-CG 4.2Å; V429-E433 WeakPolarHBondContact O-CG 3.4Å; V429-E433 PolarHBondContact O-N 3Å; T430-E433 WeakPolarHBondContact CA-OE2 3.42Å; E433-S435 PolarHBondContact O-N 3.03Å; E433-Y436 PolarHBondContact O-N 2.79Å; E433-A437 WeakPolarHBondContact O-CB 3.4Å; E433-A437 PolarHBondContact O-N 2.79Å; E433-T449 HydrophobicContact CB-CG2 3.92Å
434	R	85.5	Confident	80.1	Confident	71 Å²	71	61.7 Å²	61.7	27%	0.268	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-30.6	175	-171.8	-173.2	-91	87.5	-8.6	112	T430 F432 Q438 L444 E447 T449	T430-R434 VanDerWaalsContact O-CB 3.25Å; T430-R434 WeakPolarHBondContact O-CB 3.39Å; T430-R434 PolarHBondContact O-N 3.12Å; T430-R434 PolarHBondContact O-NH1 3.48Å; F432-R434 PolarHBondContact O-N 2.97Å; R434-Q438 VanDerWaalsContact O-CG 3.24Å; R434-Q438 WeakPolarHBondContact O-CG 3.19Å; R434-Q438 PolarHBondContact O-N 3.32Å; R434-L444 HydrophobicContact CG-CD1 3.65Å; R434-E447 IonicContact CZ-OE1 3.75Å; R434-E447 IonicContact NE-OE1 2.67Å; R434-E447 PolarHBondContact NH2-O 2.83Å; R434-E447 IonicContact NH2-OE1 3.1Å; R434-E447 PolarHBondContact NH2-OE1 3.15Å; R434-T449 HydrophobicContact CB-CG2 4.08Å
435	S	85.5	Confident	78.5	Confident	32 Å²	32	62.8 Å²	62.8	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-80.4	-39.5	177.1	-53.5	0	0	0	0	112.2	R431 F432 E433 Q438 V439	R431-S435 WeakPolarHBondContact O-CB 3.43Å; R431-S435 PolarHBondContact O-N 2.79Å; R431-S435 PolarHBondContact O-OG 2.75Å; F432-S435 CarbonylContact O-C 3.2Å; F432-S435 WeakPolarHBondContact O-CA 3.15Å; F432-S435 WeakPolarHBondContact O-CB 3.49Å; F432-S435 PolarHBondContact O-N 2.8Å; E433-S435 PolarHBondContact O-N 3.03Å; S435-Q438 PolarHBondContact O-N 3.09Å; S435-V439 WeakPolarHBondContact O-CG2 3.37Å; S435-V439 PolarHBondContact O-N 3.49Å; S435-V439 VanDerWaalsContact O-N 3.11Å
436	Y	85.7	Confident	76.8	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-60.9	-51	174.1	-178	-77.1	0	0	0	110.4	F432 E433 Q438 V439 V440 D452 E454 A455 L458 L473	F432-Y436 HydrophobicContact CE1-CD2 4.49Å; F432-Y436 HydrophobicContact CZ-CD2 4.02Å; F432-Y436 WeakPolarHBondContact O-CB 3.29Å; F432-Y436 PolarHBondContact O-N 3.15Å; E433-Y436 PolarHBondContact O-N 2.79Å; Y436-Q438 VanDerWaalsContact C-N 3.28Å; Y436-Q438 PolarHBondContact O-N 2.92Å; Y436-V439 PolarHBondContact O-N 3.47Å; Y436-V440 HydrophobicContact CD1-CG2 3.96Å; Y436-V440 HydrophobicContact CE1-CB 4.33Å; Y436-V440 HydrophobicContact CE1-CG2 3.56Å; Y436-V440 PolarHBondContact O-N 3.09Å; Y436-D452 VanDerWaalsContact CE1-OD2 3.25Å; Y436-D452 WeakPolarHBondContact CE1-OD2 3.36Å; Y436-E454 WeakPolarHBondContact OH-CB 3.44Å; Y436-A455 HydrophobicContact CD1-CB 3.64Å; Y436-A455 HydrophobicContact CD2-CB 3.49Å; Y436-A455 VanDerWaalsContact CD2-CB 3.49Å; Y436-A455 HydrophobicContact CE1-CB 3.89Å; Y436-A455 HydrophobicContact CE2-CB 3.73Å; Y436-A455 HydrophobicContact CG-CB 3.45Å; Y436-A455 VanDerWaalsContact CG-CB 3.45Å; Y436-L458 HydrophobicContact CD2-CD2 4.4Å; Y436-L458 HydrophobicContact CE2-CD2 3.95Å; Y436-L473 HydrophobicContact CD2-CD1 4.44Å; Y436-L473 HydrophobicContact CD2-CD2 3.61Å; Y436-L473 HydrophobicContact CE2-CD1 3.91Å; Y436-L473 HydrophobicContact CE2-CD2 3.95Å; Y436-L473 HydrophobicContact CG-CD2 4.05Å
437	A	80.7	Confident	75	Confident	13 Å²	13	65.9 Å²	65.9	11%	0.107	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-29.2	178.7	0	0	0	0	0	112.8	E433 L441 L444	E433-A437 WeakPolarHBondContact O-CB 3.4Å; E433-A437 PolarHBondContact O-N 2.79Å; A437-L441 WeakPolarHBondContact O-CA 3.17Å; A437-L441 VanDerWaalsContact O-CB 3.3Å; A437-L441 WeakPolarHBondContact O-CB 3.45Å; A437-L441 PolarHBondContact O-N 2.74Å; A437-L444 HydrophobicContact CB-CD2 3.55Å
438	Q	79.2	Confident	73.4	Confident	108 Å²	108	71.4 Å²	71.4	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-37	168.6	-79.9	175	9.8	0	0	113	R434 S435 Y436 S442 L444	R434-Q438 VanDerWaalsContact O-CG 3.24Å; R434-Q438 WeakPolarHBondContact O-CG 3.19Å; R434-Q438 PolarHBondContact O-N 3.32Å; S435-Q438 PolarHBondContact O-N 3.09Å; Y436-Q438 VanDerWaalsContact C-N 3.28Å; Y436-Q438 PolarHBondContact O-N 2.92Å; Q438-S442 WeakPolarHBondContact O-CA 3.24Å; Q438-S442 PolarHBondContact O-N 2.93Å; Q438-L444 HydrophobicContact CG-CD1 3.77Å; Q438-L444 HydrophobicContact CG-CD2 4.4Å; Q438-L444 HydrophobicContact CG-CG 3.89Å
439	V	77	Confident	71.9	Confident	47 Å²	47	70.3 Å²	70.3	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-76.6	-34.9	179.1	172.9	0	0	0	0	112.4	S435 Y436 L473 P480	S435-V439 WeakPolarHBondContact O-CG2 3.37Å; S435-V439 PolarHBondContact O-N 3.49Å; S435-V439 VanDerWaalsContact O-N 3.11Å; Y436-V439 PolarHBondContact O-N 3.47Å; V439-L473 HydrophobicContact CB-CD2 3.76Å; V439-L473 HydrophobicContact CG1-CD2 3.56Å; V439-L473 HydrophobicContact CG1-CG 3.83Å; V439-L473 HydrophobicContact CG2-CD2 4.5Å; V439-P480 HydrophobicContact CG1-CG 4.39Å; V439-P480 WeakPolarHBondContact O-CB 3.5Å
440	V	72.8	Confident	70.6	Confident	20 Å²	20	73.8 Å²	73.8	12%	0.121	37%	0.373	C	S	.	.	H	α-helix	trans	-85.8	-62.6	179.6	177.9	0	0	0	0	111.6	Y436 S442 L473 V483	Y436-V440 HydrophobicContact CD1-CG2 3.96Å; Y436-V440 HydrophobicContact CE1-CB 4.33Å; Y436-V440 HydrophobicContact CE1-CG2 3.56Å; Y436-V440 PolarHBondContact O-N 3.09Å; V440-S442 VanDerWaalsContact C-N 3.31Å; V440-S442 PolarHBondContact O-N 3.31Å; V440-L473 HydrophobicContact CG2-CD1 4.16Å; V440-L473 HydrophobicContact CG2-CD2 4.26Å; V440-V483 HydrophobicContact CG1-CB 4.11Å; V440-V483 HydrophobicContact CG1-CG1 4.28Å
441	L	67.5	Low	69.6	Low	61 Å²	61	78 Å²	78	32%	0.319	39%	0.394	S	S	.	.	S	Bend	trans	-81.1	-9.9	-169.4	-159.9	62.9	0	0	0	113.3	A437 T443 P445 I450	A437-L441 WeakPolarHBondContact O-CA 3.17Å; A437-L441 VanDerWaalsContact O-CB 3.3Å; A437-L441 WeakPolarHBondContact O-CB 3.45Å; A437-L441 PolarHBondContact O-N 2.74Å; L441-T443 PolarHBondContact O-N 2.75Å; L441-P445 HydrophobicContact CD2-CG 4.34Å; L441-I450 HydrophobicContact CD2-CD1 4.34Å
442	S	59.7	Low	69.2	Low	97 Å²	97	72 Å²	72	68%	0.678	37%	0.374	S	S	*	.	S	Bend	trans	61.3	-24.3	-178.6	-57.2	0	0	0	0	116.6	Q438 V440	Q438-S442 WeakPolarHBondContact O-CA 3.24Å; Q438-S442 PolarHBondContact O-N 2.93Å; V440-S442 VanDerWaalsContact C-N 3.31Å; V440-S442 PolarHBondContact O-N 3.31Å
443	T	54.4	Low	68.9	Low	99 Å²	99	79 Å²	79	61%	0.607	41%	0.407	S	S	*	.	S	Bend	trans	-137.8	123.8	175.1	51.3	0	0	0	0	109.9	L441 P445	L441-T443 PolarHBondContact O-N 2.75Å; T443-P445 WeakPolarHBondContact O-CD 3.45Å
444	L	54.8	Low	68.8	Low	66 Å²	66	80.7 Å²	80.7	35%	0.346	42%	0.415	S	S	.	.			trans	-80.9	123.3	174.8	-68.9	174.2	0	0	0	111	R434 A437 Q438 N446	R434-L444 HydrophobicContact CG-CD1 3.65Å; A437-L444 HydrophobicContact CB-CD2 3.55Å; Q438-L444 HydrophobicContact CG-CD1 3.77Å; Q438-L444 HydrophobicContact CG-CD2 4.4Å; Q438-L444 HydrophobicContact CG-CG 3.89Å; L444-N446 PolarHBondContact O-N 3.22Å
445	P	49.7	Very low	68.8	Low	56 Å²	56	77.3 Å²	77.3	36%	0.364	40%	0.402	S	S	.	.			trans	-83.9	108.4	163.4	2.6	17.1	0	0	0	109.4	L441 T443	L441-P445 HydrophobicContact CD2-CG 4.34Å; T443-P445 WeakPolarHBondContact O-CD 3.45Å
446	N	51.4	Low	69	Low	139 Å²	139	77.4 Å²	77.4	74%	0.743	40%	0.4	S	S	*	.	S	Bend	trans	70.4	170.6	174.1	-58.8	-26.5	0	0	0	117.6	L444 R448	L444-N446 PolarHBondContact O-N 3.22Å; N446-R448 VanDerWaalsContact C-N 3.28Å; N446-R448 PolarHBondContact O-N 2.77Å
447	E	51.2	Low	69.2	Low	150 Å²	150	79.4 Å²	79.4	70%	0.701	41%	0.409	S	S	*	.	S	Bend	trans	-71.3	-18.3	-177.7	-166.2	66.6	-99.7	0	0	113.8	R434 T449	R434-E447 IonicContact CZ-OE1 3.75Å; R434-E447 IonicContact NE-OE1 2.67Å; R434-E447 PolarHBondContact NH2-O 2.83Å; R434-E447 IonicContact NH2-OE1 3.1Å; R434-E447 PolarHBondContact NH2-OE1 3.15Å; E447-T449 PolarHBondContact O-N 3.04Å
448	R	54.4	Low	69.6	Low	222 Å²	222	80.5 Å²	80.5	84%	0.838	41%	0.413	S	S	*	.	S	Bend	trans	-76.4	118.5	176.2	-66.4	-176.2	-179.9	-178.6	-0.7	108.4	N446 I450	N446-R448 VanDerWaalsContact C-N 3.28Å; N446-R448 PolarHBondContact O-N 2.77Å; R448-I450 PolarHBondContact O-N 3.32Å
449	T	57.1	Low	70.1	Confident	39 Å²	39	75.3 Å²	75.3	24%	0.239	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-54.7	138.5	162.9	35	0	0	0	0	108.8	T430 E433 R434 E447	T430-T449 HydrophobicContact CG2-CG2 3.8Å; E433-T449 HydrophobicContact CB-CG2 3.92Å; R434-T449 HydrophobicContact CB-CG2 4.08Å; E447-T449 PolarHBondContact O-N 3.04Å
450	I	62.7	Low	70.8	Confident	95 Å²	95	74 Å²	74	49%	0.487	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-83	122.4	168.2	-61.3	172.9	0	0	0	105.1	L441 R448 D452	L441-I450 HydrophobicContact CD2-CD1 4.34Å; R448-I450 PolarHBondContact O-N 3.32Å; I450-D452 PolarHBondContact O-N 3.32Å
451	D	67.6	Low	71.5	Confident	132 Å²	132	79.5 Å²	79.5	71%	0.706	40%	0.398	S	S	*	.			trans	-60.6	106.5	175.9	-53.9	-28.4	0	0	0	108.4
452	D	79.4	Confident	72.6	Confident	41 Å²	41	76.9 Å²	76.9	22%	0.219	39%	0.385	C	S	.	.			trans	-112.5	102	-171.9	-169.9	-43	0	0	0	110.4	Y436 I450 E454 A455 L456	Y436-D452 VanDerWaalsContact CE1-OD2 3.25Å; Y436-D452 WeakPolarHBondContact CE1-OD2 3.36Å; I450-D452 PolarHBondContact O-N 3.32Å; D452-E454 VanDerWaalsContact C-N 3.27Å; D452-E454 PolarHBondContact O-N 3.45Å; D452-E454 WeakPolarHBondContact OD1-CA 3.42Å; D452-E454 WeakPolarHBondContact OD1-CB 3.5Å; D452-E454 PolarHBondContact OD1-N 3.37Å; D452-A455 HydrophobicContact CB-CB 3.75Å; D452-A455 WeakPolarHBondContact O-CA 3.47Å; D452-A455 WeakPolarHBondContact O-CB 3.49Å; D452-A455 PolarHBondContact O-N 3.48Å; D452-A455 VanDerWaalsContact O-N 3.07Å; D452-A455 PolarHBondContact OD1-N 3.45Å; D452-L456 PolarHBondContact O-N 3.22Å
453	E	83.9	Confident	74.1	Confident	151 Å²	151	79 Å²	79	71%	0.706	39%	0.389	S	S	*	.	H	α-helix	trans	-63.5	-28.1	179.9	-62.2	-75.7	-169.3	0	0	112.7	F457	E453-F457 WeakPolarHBondContact O-CB 3.24Å; E453-F457 PolarHBondContact O-N 3.49Å
454	E	83.8	Confident	75.8	Confident	53 Å²	53	76.2 Å²	76.2	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-71.2	-38.1	171.8	-69.6	-142.1	178.2	0	0	110.8	F215 Y436 D452 L458 K476	F215-E454 HydrophobicContact CD2-CG 3.83Å; F215-E454 WeakPolarHBondContact CD2-OE1 3.48Å; F215-E454 HydrophobicContact CE2-CB 3.97Å; F215-E454 HydrophobicContact CE2-CG 3.48Å; F215-E454 VanDerWaalsContact CE2-CG 3.48Å; F215-E454 HydrophobicContact CZ-CG 4.21Å; Y436-E454 WeakPolarHBondContact OH-CB 3.44Å; D452-E454 VanDerWaalsContact C-N 3.27Å; D452-E454 PolarHBondContact O-N 3.45Å; D452-E454 WeakPolarHBondContact OD1-CA 3.42Å; D452-E454 WeakPolarHBondContact OD1-CB 3.5Å; D452-E454 PolarHBondContact OD1-N 3.37Å; E454-L458 VanDerWaalsContact O-CB 3.24Å; E454-L458 WeakPolarHBondContact O-CB 3.39Å; E454-L458 PolarHBondContact O-N 3.13Å; E454-K476 IonicContact OE2-NZ 3.34Å; E454-K476 PolarHBondContact OE2-NZ 2.95Å
455	A	87.1	Confident	77.5	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-51.9	176.1	0	0	0	0	0	111.3	F432 Y436 D452 F457 L458 L459	F432-A455 HydrophobicContact CE1-CB 3.85Å; F432-A455 VanDerWaalsContact CE1-O 3.29Å; F432-A455 WeakPolarHBondContact CE1-O 3.49Å; F432-A455 HydrophobicContact CZ-CB 4.46Å; Y436-A455 HydrophobicContact CD1-CB 3.64Å; Y436-A455 HydrophobicContact CD2-CB 3.49Å; Y436-A455 VanDerWaalsContact CD2-CB 3.49Å; Y436-A455 HydrophobicContact CE1-CB 3.89Å; Y436-A455 HydrophobicContact CE2-CB 3.73Å; Y436-A455 HydrophobicContact CG-CB 3.45Å; Y436-A455 VanDerWaalsContact CG-CB 3.45Å; D452-A455 HydrophobicContact CB-CB 3.75Å; D452-A455 WeakPolarHBondContact O-CA 3.47Å; D452-A455 WeakPolarHBondContact O-CB 3.49Å; D452-A455 PolarHBondContact O-N 3.48Å; D452-A455 VanDerWaalsContact O-N 3.07Å; D452-A455 PolarHBondContact OD1-N 3.45Å; A455-F457 PolarHBondContact O-N 2.86Å; A455-L458 WeakPolarHBondContact O-CB 3.43Å; A455-L458 PolarHBondContact O-N 3.17Å; A455-L459 PolarHBondContact O-N 3.03Å
456	L	89.4	Confident	79.5	Confident	34 Å²	34	75.9 Å²	75.9	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-42.7	179.5	-67.3	176.8	0	0	0	111.7	W418 V429 D452 L458 L459 M460	W418-L456 HydrophobicContact CE3-CB 4.25Å; W418-L456 HydrophobicContact CH2-CD2 4.28Å; W418-L456 HydrophobicContact CZ3-CB 4.18Å; W418-L456 HydrophobicContact CZ3-CD2 4.34Å; W418-L456 VanDerWaalsContact CZ3-O 3.25Å; W418-L456 WeakPolarHBondContact CZ3-O 3.31Å; V429-L456 HydrophobicContact CG1-CD2 3.73Å; D452-L456 PolarHBondContact O-N 3.22Å; L456-L458 PolarHBondContact O-N 3.28Å; L456-L459 PolarHBondContact O-N 3.19Å; L456-M460 PolarHBondContact O-N 3.41Å
457	F	88.9	Confident	81.3	Confident	44 Å²	44	74.9 Å²	74.9	19%	0.193	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-42.1	173.2	-178.6	-101.3	0	0	0	112.2	F215 L417 E453 A455 L459 M460 R461	F215-F457 HydrophobicContact CE1-CD1 4.07Å; F215-F457 HydrophobicContact CE1-CE1 4.32Å; F215-F457 HydrophobicContact CE1-CG 4.17Å; F215-F457 AromaticContact CE2-CD1 3.87Å; F215-F457 HydrophobicContact CE2-CD1 3.87Å; F215-F457 HydrophobicContact CE2-CE1 4.39Å; F215-F457 HydrophobicContact CE2-CG 4.48Å; F215-F457 HydrophobicContact CZ-CB 3.75Å; F215-F457 AromaticContact CZ-CD1 3.33Å; F215-F457 HydrophobicContact CZ-CD1 3.33Å; F215-F457 HydrophobicContact CZ-CD2 4.37Å; F215-F457 AromaticContact CZ-CE1 3.93Å; F215-F457 HydrophobicContact CZ-CE1 3.93Å; F215-F457 AromaticContact CZ-CG 3.58Å; F215-F457 HydrophobicContact CZ-CG 3.58Å; L417-F457 HydrophobicContact CB-CD2 4.46Å; L417-F457 HydrophobicContact CD2-CD2 4.07Å; L417-F457 HydrophobicContact CD2-CE2 3.77Å; E453-F457 WeakPolarHBondContact O-CB 3.24Å; E453-F457 PolarHBondContact O-N 3.49Å; A455-F457 PolarHBondContact O-N 2.86Å; F457-L459 VanDerWaalsContact C-N 3.35Å; F457-L459 PolarHBondContact O-N 3.23Å; F457-M460 HydrophobicContact CD2-CE 4.01Å; F457-M460 HydrophobicContact CE2-CE 4.07Å; F457-M460 PolarHBondContact O-N 2.91Å; F457-R461 HydrophobicContact CD1-CG 4.02Å; F457-R461 HydrophobicContact CE1-CG 3.81Å; F457-R461 HydrophobicContact CE2-CG 4.36Å; F457-R461 HydrophobicContact CG-CG 4.41Å; F457-R461 HydrophobicContact CZ-CG 4Å; F457-R461 WeakPolarHBondContact O-CB 3.29Å; F457-R461 WeakPolarHBondContact O-CG 3.08Å; F457-R461 PolarHBondContact O-N 3.08Å
458	L	89	Confident	83.2	Confident	36 Å²	36	70.4 Å²	70.4	19%	0.188	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-42.7	175.6	-180	60.8	0	0	0	111.4	Y436 E454 A455 L456 R461 C462 A469 R472 L473	Y436-L458 HydrophobicContact CD2-CD2 4.4Å; Y436-L458 HydrophobicContact CE2-CD2 3.95Å; E454-L458 VanDerWaalsContact O-CB 3.24Å; E454-L458 WeakPolarHBondContact O-CB 3.39Å; E454-L458 PolarHBondContact O-N 3.13Å; A455-L458 WeakPolarHBondContact O-CB 3.43Å; A455-L458 PolarHBondContact O-N 3.17Å; L456-L458 PolarHBondContact O-N 3.28Å; L458-R461 CarbonylContact O-C 3.56Å; L458-R461 PolarHBondContact O-N 3.14Å; L458-C462 PolarHBondContact O-N 2.94Å; L458-C462 VanDerWaalsContact O-N 3.08Å; L458-C462 PolarHBondContact O-SG 3.43Å; L458-A469 HydrophobicContact CG-CB 4.28Å; L458-R472 HydrophobicContact CD1-CB 4.48Å; L458-L473 HydrophobicContact CD2-CB 4.15Å
459	L	90.8	Very high	84.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-45.2	177	-177.2	60.5	0	0	0	111.9	W418 L424 F432 A455 L456 F457 R461 C462 Y464 T466 A469	W418-L459 HydrophobicContact CH2-CD2 4.31Å; L424-L459 HydrophobicContact CD1-CD2 4.27Å; L424-L459 HydrophobicContact CD2-CD2 4.18Å; F432-L459 HydrophobicContact CD1-CB 4.28Å; F432-L459 HydrophobicContact CD1-CD2 3.94Å; F432-L459 HydrophobicContact CD1-CG 4.5Å; F432-L459 HydrophobicContact CE1-CB 3.82Å; F432-L459 HydrophobicContact CE1-CD2 4.32Å; F432-L459 HydrophobicContact CE1-CG 4.5Å; F432-L459 HydrophobicContact CG-CD1 4.5Å; F432-L459 HydrophobicContact CG-CD2 4.39Å; F432-L459 HydrophobicContact CZ-CB 4.12Å; A455-L459 PolarHBondContact O-N 3.03Å; L456-L459 PolarHBondContact O-N 3.19Å; F457-L459 VanDerWaalsContact C-N 3.35Å; F457-L459 PolarHBondContact O-N 3.23Å; L459-R461 VanDerWaalsContact C-N 3.33Å; L459-R461 PolarHBondContact O-N 3.36Å; L459-C462 CarbonylContact O-C 3.57Å; L459-C462 PolarHBondContact O-N 2.79Å; L459-C462 VanDerWaalsContact O-N 3.11Å; L459-Y464 WeakPolarHBondContact O-CA 3.45Å; L459-Y464 PolarHBondContact O-N 3.04Å; L459-T466 HydrophobicContact CD1-CG2 3.69Å; L459-A469 HydrophobicContact CD1-CB 4.37Å
460	M	90.5	Very high	86.4	Confident	18 Å²	18	59.3 Å²	59.3	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-41.6	173	-173.1	-153	53.5	0	0	111.6	L416 L417 W418 L456 F457 C462 D463 Y464	L416-M460 HydrophobicContact CD2-SD 4.41Å; L416-M460 HydrophobicContact CG-SD 4.14Å; L417-M460 VanDerWaalsContact O-CE 3.23Å; L417-M460 WeakPolarHBondContact O-CE 3.23Å; W418-M460 VanDerWaalsContact CA-SD 3.55Å; W418-M460 HydrophobicContact CE3-CB 3.84Å; W418-M460 HydrophobicContact CZ3-CB 4.06Å; L456-M460 PolarHBondContact O-N 3.41Å; F457-M460 HydrophobicContact CD2-CE 4.01Å; F457-M460 HydrophobicContact CE2-CE 4.07Å; F457-M460 PolarHBondContact O-N 2.91Å; M460-C462 PolarHBondContact O-N 3.25Å; M460-D463 PolarHBondContact O-N 3.4Å; M460-D463 VanDerWaalsContact O-N 3.16Å; M460-Y464 HydrophobicContact CB-CE1 4.16Å; M460-Y464 HydrophobicContact CG-CE1 4.13Å; M460-Y464 WeakPolarHBondContact CG-OH 3.41Å
461	R	89.1	Confident	87.6	Confident	136 Å²	136	59.4 Å²	59.4	51%	0.513	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.6	177.5	-67.6	-72.6	175.1	177.7	-4.9	113.9	L416 F457 L458 L459 R472	L416-R461 PolarHBondContact O-NH2 2.86Å; F457-R461 HydrophobicContact CD1-CG 4.02Å; F457-R461 HydrophobicContact CE1-CG 3.81Å; F457-R461 HydrophobicContact CE2-CG 4.36Å; F457-R461 HydrophobicContact CG-CG 4.41Å; F457-R461 HydrophobicContact CZ-CG 4Å; F457-R461 WeakPolarHBondContact O-CB 3.29Å; F457-R461 WeakPolarHBondContact O-CG 3.08Å; F457-R461 PolarHBondContact O-N 3.08Å; L458-R461 CarbonylContact O-C 3.56Å; L458-R461 PolarHBondContact O-N 3.14Å; L459-R461 VanDerWaalsContact C-N 3.33Å; L459-R461 PolarHBondContact O-N 3.36Å; R461-R472 PolarHBondContact O-NH1 3.48Å
462	C	90.1	Very high	88.5	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.041	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	22.5	173.1	-56.2	0	0	0	0	112.5	L458 L459 M460 Y464 D465 A469 R472	L458-C462 PolarHBondContact O-N 2.94Å; L458-C462 VanDerWaalsContact O-N 3.08Å; L458-C462 PolarHBondContact O-SG 3.43Å; L459-C462 CarbonylContact O-C 3.57Å; L459-C462 PolarHBondContact O-N 2.79Å; L459-C462 VanDerWaalsContact O-N 3.11Å; M460-C462 PolarHBondContact O-N 3.25Å; C462-Y464 PolarHBondContact O-N 3.49Å; C462-Y464 VanDerWaalsContact O-N 3.14Å; C462-D465 WeakPolarHBondContact O-CB 3.18Å; C462-D465 PolarHBondContact O-N 2.99Å; C462-A469 HydrophobicContact CB-CB 3.99Å; C462-R472 PolarHBondContact SG-NH1 3.04Å
463	D	90.1	Very high	88.6	Confident	142 Å²	142	56.6 Å²	56.6	76%	0.759	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.9	-178.4	-68.3	-57.3	0	0	0	113.4	M460 D465	M460-D463 PolarHBondContact O-N 3.4Å; M460-D463 VanDerWaalsContact O-N 3.16Å; D463-D465 VanDerWaalsContact C-N 3.28Å; D463-D465 PolarHBondContact O-N 2.91Å
464	Y	91	Very high	88.2	Confident	40 Å²	40	55.8 Å²	55.8	16%	0.157	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	17.7	-176.6	-40.4	-81.3	0	0	0	115.3	W418 K419 S421 L424 L459 M460 C462 T466	W418-Y464 HydrophobicContact CE3-CE1 4.47Å; W418-Y464 HydrophobicContact CH2-CD1 4.1Å; W418-Y464 AromaticContact CH2-CE1 3.97Å; W418-Y464 HydrophobicContact CH2-CE1 3.97Å; W418-Y464 HydrophobicContact CZ2-CE1 4.41Å; W418-Y464 HydrophobicContact CZ3-CD1 4.32Å; W418-Y464 AromaticContact CZ3-CE1 3.99Å; W418-Y464 HydrophobicContact CZ3-CE1 3.99Å; K419-Y464 WeakPolarHBondContact CB-OH 3.37Å; K419-Y464 PolarHBondContact O-OH 2.94Å; S421-Y464 WeakPolarHBondContact OG-CD2 3.27Å; L424-Y464 HydrophobicContact CD2-CD1 3.84Å; L424-Y464 HydrophobicContact CD2-CG 4.48Å; L459-Y464 WeakPolarHBondContact O-CA 3.45Å; L459-Y464 PolarHBondContact O-N 3.04Å; M460-Y464 HydrophobicContact CB-CE1 4.16Å; M460-Y464 HydrophobicContact CG-CE1 4.13Å; M460-Y464 WeakPolarHBondContact CG-OH 3.41Å; C462-Y464 PolarHBondContact O-N 3.49Å; C462-Y464 VanDerWaalsContact O-N 3.14Å; Y464-T466 PolarHBondContact O-N 3.02Å
465	D	90.2	Very high	87.7	Confident	81 Å²	81	60.9 Å²	60.9	43%	0.433	29%	0.286	S	S	.	.			trans	-77.5	112.8	167	-169.3	-40.7	0	0	0	110	C462 D463 D467 E468 A469	C462-D465 WeakPolarHBondContact O-CB 3.18Å; C462-D465 PolarHBondContact O-N 2.99Å; D463-D465 VanDerWaalsContact C-N 3.28Å; D463-D465 PolarHBondContact O-N 2.91Å; D465-D467 PolarHBondContact OD1-N 2.74Å; D465-E468 HydrophobicContact CB-CB 4.07Å; D465-E468 PolarHBondContact OD1-N 2.9Å; D465-A469 VanDerWaalsContact O-CB 3.23Å; D465-A469 WeakPolarHBondContact O-CB 3.32Å; D465-A469 PolarHBondContact O-N 3.26Å; D465-A469 VanDerWaalsContact O-N 3.12Å
466	T	90.7	Very high	86.7	Confident	34 Å²	34	64.5 Å²	64.5	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-74.7	-31	-177.8	50.2	0	0	0	0	112.8	F432 L459 Y464 L470	F432-T466 HydrophobicContact CB-CG2 3.81Å; F432-T466 HydrophobicContact CD2-CG2 4.22Å; F432-T466 HydrophobicContact CG-CG2 4.18Å; L459-T466 HydrophobicContact CD1-CG2 3.69Å; Y464-T466 PolarHBondContact O-N 3.02Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.44Å; T466-L470 PolarHBondContact O-N 3.23Å; T466-L470 VanDerWaalsContact O-N 3.1Å
467	D	90	Very high	84.9	Confident	118 Å²	118	68.1 Å²	68.1	63%	0.631	34%	0.337	S	S	*	.	H	α-helix	trans	-77.1	-43.8	180	-75.1	-31	0	0	0	110.3	D465 A469 L470 Q471	D465-D467 PolarHBondContact OD1-N 2.74Å; D467-A469 VanDerWaalsContact C-N 3.33Å; D467-A469 PolarHBondContact O-N 2.98Å; D467-L470 PolarHBondContact O-N 3.34Å; D467-Q471 VanDerWaalsContact O-CB 3.28Å; D467-Q471 WeakPolarHBondContact O-CB 3.45Å; D467-Q471 PolarHBondContact O-N 3.5Å
468	E	90.9	Very high	83.2	Confident	56 Å²	56	69.2 Å²	69.2	26%	0.262	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-33.3	173.8	177.4	65.9	177.5	0	0	111.9	D465 Q471 R472	D465-E468 HydrophobicContact CB-CB 4.07Å; D465-E468 PolarHBondContact OD1-N 2.9Å; E468-Q471 PolarHBondContact O-N 3.4Å; E468-Q471 PolarHBondContact OE2-NE2 3.03Å; E468-Q471 VanDerWaalsContact OE2-NE2 3.14Å; E468-R472 WeakPolarHBondContact O-CB 3.33Å; E468-R472 VanDerWaalsContact O-CG 3.31Å; E468-R472 WeakPolarHBondContact O-CG 3.46Å; E468-R472 PolarHBondContact O-N 2.77Å; E468-R472 IonicContact OE1-CZ 3.09Å; E468-R472 IonicContact OE1-NE 2.72Å; E468-R472 PolarHBondContact OE1-NE 3.01Å; E468-R472 IonicContact OE1-NH2 2.71Å; E468-R472 PolarHBondContact OE1-NH2 2.95Å
469	A	90.1	Very high	81.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-46.5	172.7	0	0	0	0	0	112.2	F432 L458 L459 C462 D465 D467 Q471 R472 L473	F432-A469 HydrophobicContact CD2-CB 4.37Å; F432-A469 HydrophobicContact CE2-CB 3.47Å; F432-A469 VanDerWaalsContact CE2-CB 3.47Å; F432-A469 HydrophobicContact CZ-CB 3.91Å; L458-A469 HydrophobicContact CG-CB 4.28Å; L459-A469 HydrophobicContact CD1-CB 4.37Å; C462-A469 HydrophobicContact CB-CB 3.99Å; D465-A469 VanDerWaalsContact O-CB 3.23Å; D465-A469 WeakPolarHBondContact O-CB 3.32Å; D465-A469 PolarHBondContact O-N 3.26Å; D465-A469 VanDerWaalsContact O-N 3.12Å; D467-A469 VanDerWaalsContact C-N 3.33Å; D467-A469 PolarHBondContact O-N 2.98Å; A469-Q471 VanDerWaalsContact C-N 3.35Å; A469-R472 PolarHBondContact O-N 3.3Å; A469-L473 PolarHBondContact O-N 2.93Å
470	L	88	Confident	79.2	Confident	28 Å²	28	72.2 Å²	72.2	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-66.7	-35.4	174.7	-70	170.7	0	0	0	112.1	F432 T466 D467 L473 Q474	F432-L470 HydrophobicContact CD2-CD1 4.4Å; F432-L470 HydrophobicContact CD2-CD2 4.17Å; F432-L470 HydrophobicContact CD2-CG 3.94Å; F432-L470 HydrophobicContact CE2-CD2 4.01Å; F432-L470 HydrophobicContact CE2-CG 3.93Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.44Å; T466-L470 PolarHBondContact O-N 3.23Å; T466-L470 VanDerWaalsContact O-N 3.1Å; D467-L470 PolarHBondContact O-N 3.34Å; L470-L473 WeakPolarHBondContact O-CB 3.5Å; L470-L473 PolarHBondContact O-N 2.91Å; L470-Q474 WeakPolarHBondContact O-CG 3.29Å; L470-Q474 PolarHBondContact O-N 3.04Å
471	Q	88.6	Confident	77.2	Confident	97 Å²	97	78.4 Å²	78.4	45%	0.453	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-44.5	174.2	-175.5	171	-73.8	0	0	111.4	D467 E468 A469 L473 Q474 F475	D467-Q471 VanDerWaalsContact O-CB 3.28Å; D467-Q471 WeakPolarHBondContact O-CB 3.45Å; D467-Q471 PolarHBondContact O-N 3.5Å; E468-Q471 PolarHBondContact O-N 3.4Å; E468-Q471 PolarHBondContact OE2-NE2 3.03Å; E468-Q471 VanDerWaalsContact OE2-NE2 3.14Å; A469-Q471 VanDerWaalsContact C-N 3.35Å; Q471-L473 VanDerWaalsContact C-N 3.31Å; Q471-L473 PolarHBondContact O-N 2.95Å; Q471-Q474 PolarHBondContact O-N 3.19Å; Q471-F475 HydrophobicContact CG-CD2 3.72Å; Q471-F475 HydrophobicContact CG-CE2 3.67Å; Q471-F475 VanDerWaalsContact O-CD2 3.26Å; Q471-F475 WeakPolarHBondContact O-CD2 3.23Å; Q471-F475 PolarHBondContact O-N 2.95Å
472	R	85.8	Confident	75	Confident	111 Å²	111	74.8 Å²	74.8	42%	0.419	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-32.1	175.5	-74.7	175.7	-170.8	167.6	7.2	112.9	L458 R461 C462 E468 A469 F475 K476	L458-R472 HydrophobicContact CD1-CB 4.48Å; R461-R472 PolarHBondContact O-NH1 3.48Å; C462-R472 PolarHBondContact SG-NH1 3.04Å; E468-R472 WeakPolarHBondContact O-CB 3.33Å; E468-R472 VanDerWaalsContact O-CG 3.31Å; E468-R472 WeakPolarHBondContact O-CG 3.46Å; E468-R472 PolarHBondContact O-N 2.77Å; E468-R472 IonicContact OE1-CZ 3.09Å; E468-R472 IonicContact OE1-NE 2.72Å; E468-R472 PolarHBondContact OE1-NE 3.01Å; E468-R472 IonicContact OE1-NH2 2.71Å; E468-R472 PolarHBondContact OE1-NH2 2.95Å; A469-R472 PolarHBondContact O-N 3.3Å; R472-F475 PolarHBondContact O-N 3.33Å; R472-K476 PolarHBondContact O-N 2.88Å
473	L	81.9	Confident	73.1	Confident	3 Å²	3	76.1 Å²	76.1	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-63.5	-44.3	171.2	-174.9	63.8	0	0	0	111.4	Y436 V439 V440 L458 A469 L470 Q471 F475 K476	Y436-L473 HydrophobicContact CD2-CD1 4.44Å; Y436-L473 HydrophobicContact CD2-CD2 3.61Å; Y436-L473 HydrophobicContact CE2-CD1 3.91Å; Y436-L473 HydrophobicContact CE2-CD2 3.95Å; Y436-L473 HydrophobicContact CG-CD2 4.05Å; V439-L473 HydrophobicContact CB-CD2 3.76Å; V439-L473 HydrophobicContact CG1-CD2 3.56Å; V439-L473 HydrophobicContact CG1-CG 3.83Å; V439-L473 HydrophobicContact CG2-CD2 4.5Å; V440-L473 HydrophobicContact CG2-CD1 4.16Å; V440-L473 HydrophobicContact CG2-CD2 4.26Å; L458-L473 HydrophobicContact CD2-CB 4.15Å; A469-L473 PolarHBondContact O-N 2.93Å; L470-L473 WeakPolarHBondContact O-CB 3.5Å; L470-L473 PolarHBondContact O-N 2.91Å; Q471-L473 VanDerWaalsContact C-N 3.31Å; Q471-L473 PolarHBondContact O-N 2.95Å; L473-F475 PolarHBondContact O-N 2.89Å; L473-K476 HydrophobicContact CD1-CD 4.4Å; L473-K476 VanDerWaalsContact O-CB 3.26Å; L473-K476 WeakPolarHBondContact O-CB 3.5Å; L473-K476 PolarHBondContact O-N 3.35Å
474	Q	77.1	Confident	71.2	Confident	135 Å²	135	72.1 Å²	72.1	63%	0.631	39%	0.391	S	S	*	.	H	α-helix	trans	-66.6	-33.6	177.2	-68.9	171.5	32.9	0	0	113.4	L470 Q471	L470-Q474 WeakPolarHBondContact O-CG 3.29Å; L470-Q474 PolarHBondContact O-N 3.04Å; Q471-Q474 PolarHBondContact O-N 3.19Å
475	F	72.5	Confident	69.6	Low	159 Å²	159	71.6 Å²	71.6	70%	0.697	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	3	175.9	-70.5	-64.2	0	0	0	114.4	Q471 R472 L473 A477	Q471-F475 HydrophobicContact CG-CD2 3.72Å; Q471-F475 HydrophobicContact CG-CE2 3.67Å; Q471-F475 VanDerWaalsContact O-CD2 3.26Å; Q471-F475 WeakPolarHBondContact O-CD2 3.23Å; Q471-F475 PolarHBondContact O-N 2.95Å; R472-F475 PolarHBondContact O-N 3.33Å; L473-F475 PolarHBondContact O-N 2.89Å; F475-A477 PolarHBondContact O-N 2.93Å; F475-A477 VanDerWaalsContact O-N 3.07Å
476	K	66	Low	67.9	Low	76 Å²	76	72.4 Å²	72.4	33%	0.33	40%	0.396	S	S	.	.			trans	-61.2	112.5	173.9	-157.9	-179.1	-175.4	-179.9	0	107.5	E454 R472 L473 V478	E454-K476 IonicContact OE2-NZ 3.34Å; E454-K476 PolarHBondContact OE2-NZ 2.95Å; R472-K476 PolarHBondContact O-N 2.88Å; L473-K476 HydrophobicContact CD1-CD 4.4Å; L473-K476 VanDerWaalsContact O-CB 3.26Å; L473-K476 WeakPolarHBondContact O-CB 3.5Å; L473-K476 PolarHBondContact O-N 3.35Å; K476-V478 HydrophobicContact CG-CB 4.21Å; K476-V478 CarbonylContact O-C 3.32Å; K476-V478 PolarHBondContact O-N 2.71Å; K476-V478 VanDerWaalsContact O-N 3.11Å
477	A	52.2	Low	66.4	Low	111 Å²	111	74 Å²	74	92%	0.917	40%	0.403	S	S	*	.	S	Bend	trans	-65.5	-13.9	-179.4	0	0	0	0	0	113.1	F475 S479	F475-A477 PolarHBondContact O-N 2.93Å; F475-A477 VanDerWaalsContact O-N 3.07Å; A477-S479 PolarHBondContact O-N 3.27Å
478	V	52.1	Low	65.1	Low	67 Å²	67	72.5 Å²	72.5	41%	0.406	40%	0.395	S	S	.	.	S	Bend	trans	-75.9	104.9	157.8	-177.7	0	0	0	0	107	K476 A482	K476-V478 HydrophobicContact CG-CB 4.21Å; K476-V478 CarbonylContact O-C 3.32Å; K476-V478 PolarHBondContact O-N 2.71Å; K476-V478 VanDerWaalsContact O-N 3.11Å; V478-A482 HydrophobicContact CG1-CB 3.62Å
479	S	47	Very low	64.3	Low	59 Å²	59	72 Å²	72	41%	0.413	40%	0.398	S	S	.	.			trans	-45.9	142.4	173.7	179	0	0	0	0	110.8	A477 I481 A482	A477-S479 PolarHBondContact O-N 3.27Å; S479-I481 PolarHBondContact O-N 2.75Å; S479-A482 WeakPolarHBondContact O-CA 3.49Å; S479-A482 WeakPolarHBondContact O-CB 3.2Å; S479-A482 PolarHBondContact O-N 2.99Å
480	P	49.3	Very low	64	Low	40 Å²	40	73.1 Å²	73.1	26%	0.26	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-53	-31.1	179.1	-28.8	35.7	0	0	0	114.1	V439 A482 V483	V439-P480 HydrophobicContact CG1-CG 4.39Å; V439-P480 WeakPolarHBondContact O-CB 3.5Å; P480-A482 PolarHBondContact O-N 3.25Å; P480-A482 VanDerWaalsContact O-N 3.12Å; P480-V483 PolarHBondContact O-N 3.3Å
481	I	48.1	Very low	64.1	Low	147 Å²	147	74 Å²	74	75%	0.754	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-58.6	-23	174.1	-57.2	169	0	0	0	112.7	S479	S479-I481 PolarHBondContact O-N 2.75Å
482	A	44.3	Very low	64.2	Low	61 Å²	61	73.3 Å²	73.3	50%	0.504	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-99.5	18.2	177.6	0	0	0	0	0	113.6	V478 S479 P480 P484	V478-A482 HydrophobicContact CG1-CB 3.62Å; S479-A482 WeakPolarHBondContact O-CA 3.49Å; S479-A482 WeakPolarHBondContact O-CB 3.2Å; S479-A482 PolarHBondContact O-N 2.99Å; P480-A482 PolarHBondContact O-N 3.25Å; P480-A482 VanDerWaalsContact O-N 3.12Å; A482-P484 VanDerWaalsContact C-CD 3.43Å
483	V	49.9	Very low	64.5	Low	34 Å²	34	71.9 Å²	71.9	21%	0.206	41%	0.414	C	S	.	.	S	Bend	trans	-108	80.6	142.9	-175.4	0	0	0	0	106.3	V440 P480	V440-V483 HydrophobicContact CG1-CB 4.11Å; V440-V483 HydrophobicContact CG1-CG1 4.28Å; P480-V483 PolarHBondContact O-N 3.3Å
484	P	50.3	Low	65.1	Low	58 Å²	58	72.8 Å²	72.8	38%	0.377	42%	0.419	S	S	.	.			trans	-65.1	144.8	174.5	-7.6	25	0	0	0	108	A482 D488	A482-P484 VanDerWaalsContact C-CD 3.43Å; P484-D488 HydrophobicContact CB-CB 3.67Å
485	G	55.7	Low	65.9	Low	29 Å²	29	67.1 Å²	67.1	30%	0.299	39%	0.394	S	S	.	.			trans	-54.3	146.8	159.2	0	0	0	0	0	108.1	L487 D488 S489	G485-L487 CarbonylContact O-C 3.53Å; G485-L487 PolarHBondContact O-N 2.94Å; G485-D488 WeakPolarHBondContact CA-OD2 3.47Å; G485-D488 PolarHBondContact N-OD2 2.66Å; G485-D488 WeakPolarHBondContact O-CA 3.34Å; G485-D488 WeakPolarHBondContact O-CB 3.43Å; G485-D488 PolarHBondContact O-N 3.18Å; G485-S489 PolarHBondContact O-N 2.77Å
486	Y	55.9	Low	66.9	Low	97 Å²	97	61.3 Å²	61.3	38%	0.38	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.8	-171	-96.7	-91.2	0	0	0	113.6	H217 S489 H527 L531	H217-Y486 PolarHBondContact CD2-OH 3.15Å; Y486-S489 PolarHBondContact O-OG 3.25Å; Y486-H527 AromaticContact CD1-CD2 3.49Å; Y486-H527 VanDerWaalsContact CD1-CD2 3.49Å; Y486-H527 WeakPolarHBondContact CD1-CD2 3.24Å; Y486-H527 AromaticContact CD1-NE2 3.43Å; Y486-H527 WeakPolarHBondContact CD1-NE2 3.36Å; Y486-H527 AromaticContact CD2-NE2 3.77Å; Y486-H527 AromaticContact CE1-NE2 3.93Å; Y486-H527 AromaticContact CG-CD2 3.79Å; Y486-H527 AromaticContact CG-NE2 3.32Å; Y486-H527 VanDerWaalsContact CG-NE2 3.32Å; Y486-L531 VanDerWaalsContact CB-CD1 3.44Å
487	L	58.4	Low	68.3	Low	68 Å²	68	58.4 Å²	58.4	36%	0.356	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-42.2	168.8	-67.5	176	0	0	0	113.7	G485 S489 W490 F528 L531 T535	G485-L487 CarbonylContact O-C 3.53Å; G485-L487 PolarHBondContact O-N 2.94Å; L487-S489 PolarHBondContact O-N 2.94Å; L487-S489 VanDerWaalsContact O-N 3.12Å; L487-W490 WeakPolarHBondContact O-CB 3.26Å; L487-W490 PolarHBondContact O-N 3.32Å; L487-F528 HydrophobicContact CD2-CD2 3.9Å; L487-F528 HydrophobicContact CD2-CE2 3.79Å; L487-L531 HydrophobicContact CD1-CB 4.49Å; L487-L531 HydrophobicContact CD2-CB 3.67Å; L487-L531 HydrophobicContact CD2-CD1 4.33Å; L487-L531 HydrophobicContact CG-CB 4.08Å; L487-L531 HydrophobicContact CG-CD1 4.22Å; L487-T535 HydrophobicContact CD1-CG2 3.97Å
488	D	62.2	Low	70.3	Confident	87 Å²	87	53.1 Å²	53.1	47%	0.465	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18	177.8	-52.7	-50.2	0	0	0	112.8	P484 G485 W490	P484-D488 HydrophobicContact CB-CB 3.67Å; G485-D488 WeakPolarHBondContact CA-OD2 3.47Å; G485-D488 PolarHBondContact N-OD2 2.66Å; G485-D488 WeakPolarHBondContact O-CA 3.34Å; G485-D488 WeakPolarHBondContact O-CB 3.43Å; G485-D488 PolarHBondContact O-N 3.18Å; D488-W490 PolarHBondContact O-N 3.39Å
489	S	74	Confident	72.3	Confident	46 Å²	46	51 Å²	51	32%	0.322	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	3.9	172.2	82.3	0	0	0	0	114.6	G485 Y486 L487 K520	G485-S489 PolarHBondContact O-N 2.77Å; Y486-S489 PolarHBondContact O-OG 3.25Å; L487-S489 PolarHBondContact O-N 2.94Å; L487-S489 VanDerWaalsContact O-N 3.12Å; S489-K520 PolarHBondContact O-NZ 3.38Å
490	W	85.6	Confident	74.5	Confident	22 Å²	22	53.8 Å²	53.8	8%	0.083	31%	0.309	C	S	.	.	S	Bend	trans	-117	127.4	179.8	-72.3	67.3	0	0	0	111.1	L487 D488 D494 F498 L517 K520 L525 F528	L487-W490 WeakPolarHBondContact O-CB 3.26Å; L487-W490 PolarHBondContact O-N 3.32Å; D488-W490 PolarHBondContact O-N 3.39Å; W490-D494 HydrophobicContact CD2-CB 4.35Å; W490-D494 HydrophobicContact CE3-CB 3.52Å; W490-D494 HydrophobicContact CZ3-CB 4.11Å; W490-F498 HydrophobicContact CH2-CD2 4.37Å; W490-F498 HydrophobicContact CZ3-CB 4.19Å; W490-F498 HydrophobicContact CZ3-CD2 4.41Å; W490-L517 HydrophobicContact CH2-CD1 4.11Å; W490-L517 HydrophobicContact CZ3-CD1 3.8Å; W490-K520 HydrophobicContact CH2-CG 4.26Å; W490-K520 HydrophobicContact CZ2-CD 4.13Å; W490-K520 HydrophobicContact CZ2-CG 4.32Å; W490-L525 HydrophobicContact CH2-CD2 3.53Å; W490-L525 HydrophobicContact CZ2-CD2 4.26Å; W490-L525 HydrophobicContact CZ3-CD2 4.45Å; W490-F528 HydrophobicContact CB-CD2 4.44Å; W490-F528 HydrophobicContact CB-CE2 4.12Å; W490-F528 AromaticContact CD1-CD2 3.64Å; W490-F528 HydrophobicContact CD2-CB 4.32Å; W490-F528 HydrophobicContact CD2-CD1 4.38Å; W490-F528 AromaticContact CD2-CD2 3.4Å; W490-F528 HydrophobicContact CD2-CD2 3.4Å; W490-F528 AromaticContact CD2-CE2 3.69Å; W490-F528 HydrophobicContact CD2-CE2 3.69Å; W490-F528 AromaticContact CD2-CG 3.78Å; W490-F528 HydrophobicContact CD2-CG 3.78Å; W490-F528 HydrophobicContact CD2-CZ 4.3Å; W490-F528 AromaticContact CE2-CD2 3.43Å; W490-F528 VanDerWaalsContact CE2-CD2 3.43Å; W490-F528 AromaticContact CE2-CG 3.49Å; W490-F528 VanDerWaalsContact CE2-CG 3.49Å; W490-F528 HydrophobicContact CE3-CD1 4.16Å; W490-F528 AromaticContact CE3-CD2 3.9Å; W490-F528 HydrophobicContact CE3-CD2 3.9Å; W490-F528 HydrophobicContact CE3-CE1 4.18Å; W490-F528 AromaticContact CE3-CE2 3.91Å; W490-F528 HydrophobicContact CE3-CE2 3.91Å; W490-F528 HydrophobicContact CE3-CG 4.02Å; W490-F528 HydrophobicContact CE3-CZ 4.05Å; W490-F528 AromaticContact CG-CD2 3.61Å; W490-F528 HydrophobicContact CG-CD2 3.61Å; W490-F528 AromaticContact CG-CE2 3.74Å; W490-F528 HydrophobicContact CG-CE2 3.74Å; W490-F528 HydrophobicContact CG-CG 4.44Å; W490-F528 HydrophobicContact CH2-CB 3.78Å; W490-F528 AromaticContact CH2-CD1 3.81Å; W490-F528 HydrophobicContact CH2-CD1 3.81Å; W490-F528 HydrophobicContact CH2-CD2 4.36Å; W490-F528 AromaticContact CH2-CG 3.72Å; W490-F528 HydrophobicContact CH2-CG 3.72Å; W490-F528 HydrophobicContact CZ2-CB 3.23Å; W490-F528 HydrophobicContact CZ2-CD1 4.1Å; W490-F528 AromaticContact CZ2-CD2 3.97Å; W490-F528 HydrophobicContact CZ2-CD2 3.97Å; W490-F528 AromaticContact CZ2-CG 3.51Å; W490-F528 HydrophobicContact CZ2-CG 3.51Å; W490-F528 AromaticContact CZ3-CD1 3.87Å; W490-F528 HydrophobicContact CZ3-CD1 3.87Å; W490-F528 HydrophobicContact CZ3-CD2 4.35Å; W490-F528 HydrophobicContact CZ3-CE1 4.12Å; W490-F528 AromaticContact CZ3-CG 4Å; W490-F528 HydrophobicContact CZ3-CG 4Å; W490-F528 HydrophobicContact CZ3-CZ 4.46Å; W490-F528 AromaticContact NE1-CD2 3.57Å; W490-F528 AromaticContact NE1-CG 3.96Å
491	S	89.5	Confident	76.7	Confident	48 Å²	48	51.9 Å²	51.9	34%	0.336	30%	0.296	S	S	.	.			trans	-72.2	154.2	171.4	69.3	0	0	0	0	110.4	S493 D494 C495	S491-S493 WeakPolarHBondContact CB-OG 3.39Å; S491-S493 PolarHBondContact O-N 3.42Å; S491-S493 VanDerWaalsContact O-N 3.15Å; S491-S493 PolarHBondContact OG-OG 3.31Å; S491-D494 WeakPolarHBondContact CB-OD2 3.5Å; S491-D494 PolarHBondContact N-OD2 3.09Å; S491-D494 VanDerWaalsContact N-OD2 3.13Å; S491-D494 WeakPolarHBondContact O-CA 3.41Å; S491-D494 WeakPolarHBondContact O-CB 3.38Å; S491-D494 PolarHBondContact O-N 2.9Å; S491-D494 PolarHBondContact OG-N 2.85Å; S491-D494 VanDerWaalsContact OG-N 3.11Å; S491-D494 PolarHBondContact OG-OD2 3.44Å; S491-C495 PolarHBondContact O-N 3.31Å
492	E	90.7	Very high	78.9	Confident	81 Å²	81	46.1 Å²	46.1	38%	0.379	27%	0.266	S	S	.	.	H	α-helix	trans	-54.3	-34.7	172.3	174.4	48.1	-137.1	0	0	111.8	D494 C495 T496 R537	E492-D494 PolarHBondContact O-N 3.26Å; E492-C495 PolarHBondContact O-N 3.07Å; E492-T496 VanDerWaalsContact O-CB 3.24Å; E492-T496 WeakPolarHBondContact O-CB 3.03Å; E492-T496 PolarHBondContact O-N 3.37Å; E492-T496 PolarHBondContact O-OG1 3Å; E492-T496 PolarHBondContact OE1-OG1 3.24Å; E492-R537 IonicContact OE1-CZ 2.74Å; E492-R537 IonicContact OE1-NH1 2.71Å; E492-R537 PolarHBondContact OE1-NH1 2.93Å; E492-R537 VanDerWaalsContact OE1-NH1 3.09Å; E492-R537 IonicContact OE1-NH2 2.67Å; E492-R537 PolarHBondContact OE1-NH2 3.34Å; E492-R537 IonicContact OE2-CZ 3.94Å; E492-R537 IonicContact OE2-NH1 3.14Å; E492-R537 PolarHBondContact OE2-NH1 3.13Å; E492-R537 IonicContact OE2-NH2 2.68Å
493	S	93	Very high	81.1	Confident	81 Å²	81	45 Å²	45	57%	0.566	26%	0.256	S	S	*	.	H	α-helix	trans	-61	-38.4	170.6	27.7	0	0	0	0	113.6	S491 A497	S491-S493 WeakPolarHBondContact CB-OG 3.39Å; S491-S493 PolarHBondContact O-N 3.42Å; S491-S493 VanDerWaalsContact O-N 3.15Å; S491-S493 PolarHBondContact OG-OG 3.31Å; S493-A497 WeakPolarHBondContact O-CB 3.23Å; S493-A497 PolarHBondContact O-N 3.35Å
494	D	94.4	Very high	83.1	Confident	22 Å²	22	49.1 Å²	49.1	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-73	-41.8	176.8	-61.2	-51.2	0	0	0	111.7	W490 S491 E492 A497 F498 L517 H519	W490-D494 HydrophobicContact CD2-CB 4.35Å; W490-D494 HydrophobicContact CE3-CB 3.52Å; W490-D494 HydrophobicContact CZ3-CB 4.11Å; S491-D494 WeakPolarHBondContact CB-OD2 3.5Å; S491-D494 PolarHBondContact N-OD2 3.09Å; S491-D494 VanDerWaalsContact N-OD2 3.13Å; S491-D494 WeakPolarHBondContact O-CA 3.41Å; S491-D494 WeakPolarHBondContact O-CB 3.38Å; S491-D494 PolarHBondContact O-N 2.9Å; S491-D494 PolarHBondContact OG-N 2.85Å; S491-D494 VanDerWaalsContact OG-N 3.11Å; S491-D494 PolarHBondContact OG-OD2 3.44Å; E492-D494 PolarHBondContact O-N 3.26Å; D494-A497 CarbonylContact O-C 3.58Å; D494-A497 PolarHBondContact O-N 3.47Å; D494-F498 WeakPolarHBondContact O-CB 3.4Å; D494-F498 PolarHBondContact O-N 2.8Å; D494-L517 HydrophobicContact CB-CD2 4.1Å; D494-H519 IonicContact OD1-CD2 3.85Å; D494-H519 IonicContact OD1-CE1 2.7Å; D494-H519 PolarHBondContact OD1-CE1 3.27Å; D494-H519 VanDerWaalsContact OD1-CE1 3.23Å; D494-H519 IonicContact OD1-NE2 3.68Å; D494-H519 PolarHBondContact OD1-NE2 3.01Å
495	C	93.1	Very high	85	Confident	17 Å²	17	47.4 Å²	47.4	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-52.4	174.7	-64.3	0	0	0	0	110.8	S491 E492 A497 F498 E499 F528	S491-C495 PolarHBondContact O-N 3.31Å; E492-C495 PolarHBondContact O-N 3.07Å; C495-A497 VanDerWaalsContact C-N 3.26Å; C495-A497 PolarHBondContact O-N 3.46Å; C495-F498 WeakPolarHBondContact O-CB 3.39Å; C495-F498 PolarHBondContact O-N 3.47Å; C495-F498 VanDerWaalsContact O-N 3.15Å; C495-E499 WeakPolarHBondContact O-CG 3.49Å; C495-E499 PolarHBondContact O-N 3.33Å; C495-F528 HydrophobicContact CB-CZ 4.39Å
496	T	93.4	Very high	86.7	Confident	36 Å²	36	47.2 Å²	47.2	22%	0.221	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-34.4	174.7	-78.2	0	0	0	0	112.4	E492 K500 R537	E492-T496 VanDerWaalsContact O-CB 3.24Å; E492-T496 WeakPolarHBondContact O-CB 3.03Å; E492-T496 PolarHBondContact O-N 3.37Å; E492-T496 PolarHBondContact O-OG1 3Å; E492-T496 PolarHBondContact OE1-OG1 3.24Å; T496-K500 HydrophobicContact CG2-CD 3.81Å; T496-K500 WeakPolarHBondContact O-CB 3.44Å; T496-K500 WeakPolarHBondContact O-CD 3.34Å; T496-K500 VanDerWaalsContact O-CG 3.25Å; T496-K500 WeakPolarHBondContact O-CG 3.43Å; T496-K500 PolarHBondContact O-N 2.92Å; T496-R537 PolarHBondContact OG1-NH2 3.11Å; T496-R537 VanDerWaalsContact OG1-NH2 3.15Å
497	A	94.3	Very high	88.5	Confident	16 Å²	16	49.5 Å²	49.5	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-74.4	-34.2	176	0	0	0	0	0	112.8	S493 D494 C495 S501 R516 L517	S493-A497 WeakPolarHBondContact O-CB 3.23Å; S493-A497 PolarHBondContact O-N 3.35Å; D494-A497 CarbonylContact O-C 3.58Å; D494-A497 PolarHBondContact O-N 3.47Å; C495-A497 VanDerWaalsContact C-N 3.26Å; C495-A497 PolarHBondContact O-N 3.46Å; A497-S501 WeakPolarHBondContact O-CB 3.42Å; A497-S501 PolarHBondContact O-N 3.49Å; A497-S501 PolarHBondContact O-OG 3.03Å; A497-R516 HydrophobicContact CB-CB 3.97Å; A497-R516 WeakPolarHBondContact O-CD 3.42Å; A497-L517 HydrophobicContact CB-CD2 3.83Å; A497-L517 HydrophobicContact CB-CG 4.32Å
498	F	95.1	Very high	90.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-54.3	172.3	-178.2	-91.4	0	0	0	109.9	W490 D494 C495 K500 S501 F502 F509 I512 L517 F528 Y529 W532	W490-F498 HydrophobicContact CH2-CD2 4.37Å; W490-F498 HydrophobicContact CZ3-CB 4.19Å; W490-F498 HydrophobicContact CZ3-CD2 4.41Å; D494-F498 WeakPolarHBondContact O-CB 3.4Å; D494-F498 PolarHBondContact O-N 2.8Å; C495-F498 WeakPolarHBondContact O-CB 3.39Å; C495-F498 PolarHBondContact O-N 3.47Å; C495-F498 VanDerWaalsContact O-N 3.15Å; F498-K500 PolarHBondContact O-N 3.49Å; F498-S501 CarbonylContact O-C 3.52Å; F498-S501 WeakPolarHBondContact O-CA 3.25Å; F498-S501 WeakPolarHBondContact O-CB 3.34Å; F498-S501 PolarHBondContact O-N 3.07Å; F498-F502 HydrophobicContact CD1-CB 4.38Å; F498-F502 HydrophobicContact CE1-CB 4.06Å; F498-F502 AromaticContact CE1-CD2 3.9Å; F498-F502 HydrophobicContact CE1-CD2 3.9Å; F498-F502 HydrophobicContact CE1-CG 4.12Å; F498-F502 AromaticContact CZ-CD2 3.79Å; F498-F502 HydrophobicContact CZ-CD2 3.79Å; F498-F502 HydrophobicContact CZ-CE2 4.47Å; F498-F502 HydrophobicContact CZ-CG 4.44Å; F498-F502 WeakPolarHBondContact O-CB 3.4Å; F498-F502 PolarHBondContact O-N 3.04Å; F498-F509 HydrophobicContact CE2-CE1 4.46Å; F498-F509 HydrophobicContact CZ-CE1 4.34Å; F498-I512 HydrophobicContact CD2-CG2 4.15Å; F498-I512 HydrophobicContact CE2-CD1 4.35Å; F498-I512 HydrophobicContact CE2-CG2 4.4Å; F498-L517 HydrophobicContact CB-CD1 3.84Å; F498-L517 HydrophobicContact CD2-CD1 4Å; F498-L517 HydrophobicContact CG-CD1 4.44Å; F498-F528 HydrophobicContact CB-CE1 4.03Å; F498-F528 HydrophobicContact CD1-CD1 4.15Å; F498-F528 AromaticContact CD1-CE1 3.74Å; F498-F528 HydrophobicContact CD1-CE1 3.74Å; F498-F528 AromaticContact CD2-CD1 3.93Å; F498-F528 HydrophobicContact CD2-CD1 3.93Å; F498-F528 HydrophobicContact CD2-CE1 4.2Å; F498-F528 HydrophobicContact CE1-CD1 4.38Å; F498-F528 HydrophobicContact CE1-CE1 4.29Å; F498-F528 HydrophobicContact CE2-CD1 4.17Å; F498-F528 AromaticContact CG-CD1 3.93Å; F498-F528 HydrophobicContact CG-CD1 3.93Å; F498-F528 AromaticContact CG-CE1 3.71Å; F498-F528 HydrophobicContact CG-CE1 3.71Å; F498-F528 HydrophobicContact CZ-CD1 4.4Å; F498-Y529 HydrophobicContact CZ-CD2 4.27Å; F498-W532 HydrophobicContact CD1-CD2 4.37Å; F498-W532 HydrophobicContact CD1-CE3 4.46Å; F498-W532 HydrophobicContact CE1-CD2 4.04Å; F498-W532 AromaticContact CE1-CE3 3.7Å; F498-W532 HydrophobicContact CE1-CE3 3.7Å; F498-W532 HydrophobicContact CE1-CH2 4.19Å; F498-W532 AromaticContact CE1-CZ3 3.77Å; F498-W532 HydrophobicContact CE1-CZ3 3.77Å
499	E	94.2	Very high	91.8	Very high	21 Å²	21	47.1 Å²	47.1	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-46.3	-177.3	-70.4	163	161.4	0	0	112.1	C495 S501 F502 A503 W532 R537 F541	C495-E499 WeakPolarHBondContact O-CG 3.49Å; C495-E499 PolarHBondContact O-N 3.33Å; E499-S501 PolarHBondContact O-N 2.9Å; E499-S501 VanDerWaalsContact O-N 3.15Å; E499-F502 PolarHBondContact O-N 3.32Å; E499-A503 WeakPolarHBondContact O-CB 3.42Å; E499-A503 PolarHBondContact O-N 2.87Å; E499-W532 HydrophobicContact CG-CZ2 3.8Å; E499-W532 PolarHBondContact OE1-NE1 3.04Å; E499-R537 VanDerWaalsContact CD-NE 3.29Å; E499-R537 VanDerWaalsContact OE1-CD 3.29Å; E499-R537 WeakPolarHBondContact OE1-CD 3.3Å; E499-R537 WeakPolarHBondContact OE1-CG 3.37Å; E499-R537 IonicContact OE1-CZ 3.71Å; E499-R537 IonicContact OE1-NE 2.79Å; E499-R537 PolarHBondContact OE1-NE 3.01Å; E499-R537 IonicContact OE1-NH2 3.23Å; E499-R537 IonicContact OE2-CZ 3.95Å; E499-R537 IonicContact OE2-NE 3.99Å; E499-R537 PolarHBondContact OE2-NE 3.23Å; E499-R537 VanDerWaalsContact OE2-NE 3.09Å; E499-R537 IonicContact OE2-NH2 2.7Å; E499-R537 PolarHBondContact OE2-NH2 2.97Å; E499-F541 HydrophobicContact CB-CD2 3.95Å; E499-F541 HydrophobicContact CB-CE2 4Å; E499-F541 HydrophobicContact CG-CD2 4.1Å; E499-F541 HydrophobicContact CG-CE2 4.49Å
500	K	93.3	Very high	92.9	Very high	118 Å²	118	53.4 Å²	53.4	51%	0.513	28%	0.279	S	S	.	.	H	α-helix	trans	-70.3	-3.1	175.5	-69.5	171.5	-178	166.7	0	114.5	T496 F498 L504 R516	T496-K500 HydrophobicContact CG2-CD 3.81Å; T496-K500 WeakPolarHBondContact O-CB 3.44Å; T496-K500 WeakPolarHBondContact O-CD 3.34Å; T496-K500 VanDerWaalsContact O-CG 3.25Å; T496-K500 WeakPolarHBondContact O-CG 3.43Å; T496-K500 PolarHBondContact O-N 2.92Å; F498-K500 PolarHBondContact O-N 3.49Å; K500-L504 WeakPolarHBondContact O-CD1 3.44Å; K500-R516 PolarHBondContact O-NE 2.92Å; K500-R516 PolarHBondContact O-NH2 3.26Å
501	S	94.4	Very high	93.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-107.3	-42.3	171.9	-52.9	0	0	0	0	110.8	A497 F498 E499 A503 L504 C505 R516	A497-S501 WeakPolarHBondContact O-CB 3.42Å; A497-S501 PolarHBondContact O-N 3.49Å; A497-S501 PolarHBondContact O-OG 3.03Å; F498-S501 CarbonylContact O-C 3.52Å; F498-S501 WeakPolarHBondContact O-CA 3.25Å; F498-S501 WeakPolarHBondContact O-CB 3.34Å; F498-S501 PolarHBondContact O-N 3.07Å; E499-S501 PolarHBondContact O-N 2.9Å; E499-S501 VanDerWaalsContact O-N 3.15Å; S501-A503 VanDerWaalsContact C-N 3.28Å; S501-A503 PolarHBondContact O-N 3.28Å; S501-L504 PolarHBondContact O-N 3.16Å; S501-C505 WeakPolarHBondContact O-CB 3.24Å; S501-C505 PolarHBondContact O-N 3.43Å; S501-C505 PolarHBondContact O-SG 3.39Å; S501-R516 WeakPolarHBondContact OG-CB 3.36Å; S501-R516 VanDerWaalsContact OG-CD 3.27Å; S501-R516 WeakPolarHBondContact OG-CD 3.35Å; S501-R516 WeakPolarHBondContact OG-CG 3.45Å
502	F	94.4	Very high	93.6	Very high	26 Å²	26	54.4 Å²	54.4	11%	0.114	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-37	175.6	-168	-89.8	0	0	0	111.9	F498 E499 L504 G506 K507 I512 Y529 W532 F541	F498-F502 HydrophobicContact CD1-CB 4.38Å; F498-F502 HydrophobicContact CE1-CB 4.06Å; F498-F502 AromaticContact CE1-CD2 3.9Å; F498-F502 HydrophobicContact CE1-CD2 3.9Å; F498-F502 HydrophobicContact CE1-CG 4.12Å; F498-F502 AromaticContact CZ-CD2 3.79Å; F498-F502 HydrophobicContact CZ-CD2 3.79Å; F498-F502 HydrophobicContact CZ-CE2 4.47Å; F498-F502 HydrophobicContact CZ-CG 4.44Å; F498-F502 WeakPolarHBondContact O-CB 3.4Å; F498-F502 PolarHBondContact O-N 3.04Å; E499-F502 PolarHBondContact O-N 3.32Å; F502-L504 PolarHBondContact O-N 2.88Å; F502-G506 WeakPolarHBondContact CD2-O 3.27Å; F502-G506 WeakPolarHBondContact CE2-O 3.21Å; F502-G506 VanDerWaalsContact O-CA 3.23Å; F502-G506 WeakPolarHBondContact O-CA 3.49Å; F502-G506 PolarHBondContact O-N 3.03Å; F502-K507 HydrophobicContact CE2-CG 4.13Å; F502-K507 HydrophobicContact CZ-CG 4.13Å; F502-I512 HydrophobicContact CB-CD1 4.26Å; F502-I512 HydrophobicContact CD2-CD1 3.94Å; F502-Y529 HydrophobicContact CD2-CD2 4.46Å; F502-Y529 AromaticContact CE2-CD2 3.69Å; F502-Y529 HydrophobicContact CE2-CD2 3.69Å; F502-Y529 AromaticContact CE2-CE2 3.61Å; F502-Y529 HydrophobicContact CE2-CE2 3.61Å; F502-Y529 HydrophobicContact CZ-CD2 4.17Å; F502-Y529 AromaticContact CZ-CE2 3.68Å; F502-Y529 HydrophobicContact CZ-CE2 3.68Å; F502-W532 HydrophobicContact CD1-CH2 4.03Å; F502-W532 HydrophobicContact CD1-CZ3 4.3Å; F502-W532 HydrophobicContact CE1-CH2 4.25Å; F502-W532 HydrophobicContact CE1-CZ3 4.23Å; F502-W532 HydrophobicContact CG-CH2 4.42Å; F502-W532 HydrophobicContact CG-CZ3 4.5Å; F502-W532 HydrophobicContact CZ-CZ3 4.37Å; F502-F541 AromaticContact CD1-CE1 3.86Å; F502-F541 HydrophobicContact CD1-CE1 3.86Å; F502-F541 AromaticContact CD1-CZ 3.94Å; F502-F541 HydrophobicContact CD1-CZ 3.94Å; F502-F541 HydrophobicContact CE1-CE1 4.31Å
503	A	91.9	Very high	93.8	Very high	37 Å²	37	55 Å²	55	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-16.2	172.3	0	0	0	0	0	114.8	E499 S501 F541 Y545	E499-A503 WeakPolarHBondContact O-CB 3.42Å; E499-A503 PolarHBondContact O-N 2.87Å; S501-A503 VanDerWaalsContact C-N 3.28Å; S501-A503 PolarHBondContact O-N 3.28Å; A503-F541 HydrophobicContact CB-CE2 4.1Å; A503-F541 HydrophobicContact CB-CZ 3.99Å; A503-Y545 HydrophobicContact CB-CD2 4.3Å; A503-Y545 HydrophobicContact CB-CE2 4.19Å
504	L	90.8	Very high	93.9	Very high	122 Å²	122	56.6 Å²	56.6	64%	0.639	28%	0.276	S	S	*	.	H	α-helix	trans	-106.5	-40.2	-179.5	-63.2	175.6	0	0	0	112.5	K500 S501 F502	K500-L504 WeakPolarHBondContact O-CD1 3.44Å; S501-L504 PolarHBondContact O-N 3.16Å; F502-L504 PolarHBondContact O-N 2.88Å
505	C	90.3	Very high	93.8	Very high	21 Å²	21	58.8 Å²	58.8	14%	0.142	29%	0.291	C	S	.	.	H	α-helix	trans	-102.3	-7	-172.6	-56.2	0	0	0	0	113.2	S501 K507 D508 Q511 I512	S501-C505 WeakPolarHBondContact O-CB 3.24Å; S501-C505 PolarHBondContact O-N 3.43Å; S501-C505 PolarHBondContact O-SG 3.39Å; C505-K507 PolarHBondContact O-N 3.37Å; C505-D508 PolarHBondContact O-N 2.92Å; C505-Q511 HydrophobicContact CB-CB 4.14Å; C505-Q511 HydrophobicContact CB-CG 4.35Å; C505-Q511 VanDerWaalsContact CB-OE1 3.25Å; C505-Q511 PolarHBondContact SG-OE1 3.47Å; C505-I512 HydrophobicContact CB-CG1 3.93Å
506	G	91.3	Very high	93.6	Very high	25 Å²	25	63.8 Å²	63.8	26%	0.258	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-127.6	-170.7	0	0	0	0	0	111.4	F502	F502-G506 WeakPolarHBondContact CD2-O 3.27Å; F502-G506 WeakPolarHBondContact CE2-O 3.21Å; F502-G506 VanDerWaalsContact O-CA 3.23Å; F502-G506 WeakPolarHBondContact O-CA 3.49Å; F502-G506 PolarHBondContact O-N 3.03Å
507	K	93.6	Very high	93.6	Very high	146 Å²	146	62 Å²	62	64%	0.635	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	11.8	-178.4	-62.6	177.2	-177.8	170.5	0	114	F502 C505 F509	F502-K507 HydrophobicContact CE2-CG 4.13Å; F502-K507 HydrophobicContact CZ-CG 4.13Å; C505-K507 PolarHBondContact O-N 3.37Å; K507-F509 HydrophobicContact CB-CE2 4.49Å; K507-F509 WeakPolarHBondContact O-CD2 3.21Å; K507-F509 WeakPolarHBondContact O-CE2 3.36Å; K507-F509 PolarHBondContact O-N 2.75Å
508	D	95.1	Very high	93.6	Very high	74 Å²	74	70.1 Å²	70.1	40%	0.396	32%	0.324	S	S	.	.			trans	-77.7	91.6	172.7	-169.7	-19.4	0	0	0	111.4	C505 R510 Q511 I512	C505-D508 PolarHBondContact O-N 2.92Å; D508-R510 PolarHBondContact O-N 2.67Å; D508-R510 WeakPolarHBondContact OD1-CA 3.47Å; D508-R510 VanDerWaalsContact OD1-CB 3.3Å; D508-R510 WeakPolarHBondContact OD1-CB 3.28Å; D508-R510 PolarHBondContact OD1-N 2.95Å; D508-Q511 HydrophobicContact CB-CB 3.95Å; D508-Q511 PolarHBondContact O-N 2.87Å; D508-Q511 PolarHBondContact OD1-N 3.35Å; D508-I512 WeakPolarHBondContact O-CG1 3.33Å; D508-I512 PolarHBondContact O-N 3.2Å
509	F	95.9	Very high	93.4	Very high	30 Å²	30	76 Å²	76	13%	0.132	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-18.9	176.7	-56.4	-71.9	0	0	0	114	F498 K507 I512 R513 V522 L525 I526 Y529	F498-F509 HydrophobicContact CE2-CE1 4.46Å; F498-F509 HydrophobicContact CZ-CE1 4.34Å; K507-F509 HydrophobicContact CB-CE2 4.49Å; K507-F509 WeakPolarHBondContact O-CD2 3.21Å; K507-F509 WeakPolarHBondContact O-CE2 3.36Å; K507-F509 PolarHBondContact O-N 2.75Å; F509-I512 HydrophobicContact CD1-CD1 4.16Å; F509-R513 WeakPolarHBondContact O-CB 3.29Å; F509-R513 PolarHBondContact O-N 2.81Å; F509-V522 HydrophobicContact CB-CG1 3.86Å; F509-L525 HydrophobicContact CB-CB 4.45Å; F509-L525 HydrophobicContact CD1-CB 4.18Å; F509-L525 WeakPolarHBondContact O-CD1 3.28Å; F509-I526 HydrophobicContact CB-CG1 4.09Å; F509-I526 HydrophobicContact CD1-CG1 4.17Å; F509-I526 HydrophobicContact CD2-CD1 4.17Å; F509-I526 HydrophobicContact CD2-CG1 3.55Å; F509-I526 HydrophobicContact CE2-CG1 3.97Å; F509-I526 HydrophobicContact CG-CD1 4.47Å; F509-I526 HydrophobicContact CG-CG1 3.65Å; F509-I526 HydrophobicContact CZ-CG1 4.45Å; F509-Y529 HydrophobicContact CE1-CD1 4.29Å; F509-Y529 HydrophobicContact CE1-CD2 4.23Å; F509-Y529 AromaticContact CE1-CG 3.81Å; F509-Y529 HydrophobicContact CE1-CG 3.81Å; F509-Y529 AromaticContact CZ-CD1 3.73Å; F509-Y529 HydrophobicContact CZ-CD1 3.73Å; F509-Y529 HydrophobicContact CZ-CD2 4.18Å; F509-Y529 HydrophobicContact CZ-CE1 4.23Å; F509-Y529 AromaticContact CZ-CG 3.69Å; F509-Y529 HydrophobicContact CZ-CG 3.69Å
510	R	96	Very high	93.4	Very high	178 Å²	178	76 Å²	76	67%	0.672	35%	0.35	S	S	*	.	H	α-helix	trans	-74.4	-47.8	171.5	-61.3	178.7	176.9	-120	0.9	109.5	D508 I512 R513 E514 V522	D508-R510 PolarHBondContact O-N 2.67Å; D508-R510 WeakPolarHBondContact OD1-CA 3.47Å; D508-R510 VanDerWaalsContact OD1-CB 3.3Å; D508-R510 WeakPolarHBondContact OD1-CB 3.28Å; D508-R510 PolarHBondContact OD1-N 2.95Å; R510-I512 PolarHBondContact O-N 3.45Å; R510-R513 WeakPolarHBondContact O-CB 3.37Å; R510-R513 PolarHBondContact O-N 3.44Å; R510-E514 WeakPolarHBondContact O-CG 3.41Å; R510-E514 PolarHBondContact O-N 3.44Å; R510-V522 HydrophobicContact CG-CG2 4.42Å
511	Q	95.6	Very high	93.4	Very high	91 Å²	91	73.4 Å²	73.4	43%	0.425	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-37.2	178.6	-158.4	-177.2	47.3	0	0	112.3	C505 D508 R513 E514 T515	C505-Q511 HydrophobicContact CB-CB 4.14Å; C505-Q511 HydrophobicContact CB-CG 4.35Å; C505-Q511 VanDerWaalsContact CB-OE1 3.25Å; C505-Q511 PolarHBondContact SG-OE1 3.47Å; D508-Q511 HydrophobicContact CB-CB 3.95Å; D508-Q511 PolarHBondContact O-N 2.87Å; D508-Q511 PolarHBondContact OD1-N 3.35Å; Q511-R513 PolarHBondContact O-N 3.44Å; Q511-E514 PolarHBondContact O-N 3.1Å; Q511-T515 VanDerWaalsContact O-CB 3.28Å; Q511-T515 WeakPolarHBondContact O-CB 3.43Å; Q511-T515 PolarHBondContact O-N 2.87Å; Q511-T515 PolarHBondContact O-OG1 2.77Å
512	I	95.6	Very high	93.4	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-48.4	172.7	-71.6	167.8	0	0	0	111.2	F498 F502 C505 D508 F509 R510 E514 T515 R516 L517 L525	F498-I512 HydrophobicContact CD2-CG2 4.15Å; F498-I512 HydrophobicContact CE2-CD1 4.35Å; F498-I512 HydrophobicContact CE2-CG2 4.4Å; F502-I512 HydrophobicContact CB-CD1 4.26Å; F502-I512 HydrophobicContact CD2-CD1 3.94Å; C505-I512 HydrophobicContact CB-CG1 3.93Å; D508-I512 WeakPolarHBondContact O-CG1 3.33Å; D508-I512 PolarHBondContact O-N 3.2Å; F509-I512 HydrophobicContact CD1-CD1 4.16Å; R510-I512 PolarHBondContact O-N 3.45Å; I512-E514 PolarHBondContact O-N 3.36Å; I512-T515 PolarHBondContact O-N 3.35Å; I512-R516 PolarHBondContact O-N 2.85Å; I512-R516 VanDerWaalsContact O-N 3.13Å; I512-L517 HydrophobicContact CG2-CD1 4.06Å; I512-L517 PolarHBondContact O-N 3.47Å; I512-L525 HydrophobicContact CB-CD1 4.2Å; I512-L525 HydrophobicContact CG2-CD1 3.8Å
513	R	95.1	Very high	93.4	Very high	94 Å²	94	76 Å²	76	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-48.9	177.2	-172.5	177.4	170.8	-123.9	-7.8	111.3	F509 R510 Q511 T515 L517 R518 K520 L525	F509-R513 WeakPolarHBondContact O-CB 3.29Å; F509-R513 PolarHBondContact O-N 2.81Å; R510-R513 WeakPolarHBondContact O-CB 3.37Å; R510-R513 PolarHBondContact O-N 3.44Å; Q511-R513 PolarHBondContact O-N 3.44Å; R513-T515 VanDerWaalsContact C-N 3.3Å; R513-T515 PolarHBondContact O-N 3.44Å; R513-L517 WeakPolarHBondContact CG-O 3.34Å; R513-L517 CarbonylContact O-C 3.57Å; R513-L517 PolarHBondContact O-N 3.01Å; R513-R518 WeakPolarHBondContact O-CA 3.39Å; R513-R518 WeakPolarHBondContact O-CG 3.39Å; R513-R518 PolarHBondContact O-N 2.82Å; R513-K520 WeakPolarHBondContact CD-O 3.42Å; R513-K520 WeakPolarHBondContact CG-O 3.39Å; R513-K520 PolarHBondContact NE-O 3.18Å; R513-L525 HydrophobicContact CB-CD1 3.64Å; R513-L525 HydrophobicContact CG-CD1 4.42Å
514	E	94	Very high	93.5	Very high	114 Å²	114	77.4 Å²	77.4	53%	0.533	37%	0.365	S	S	.	.	H	α-helix	trans	-69.4	-26.8	-177.3	-71.6	168.3	-161.5	0	0	112.9	R510 Q511 I512 R518	R510-E514 WeakPolarHBondContact O-CG 3.41Å; R510-E514 PolarHBondContact O-N 3.44Å; Q511-E514 PolarHBondContact O-N 3.1Å; I512-E514 PolarHBondContact O-N 3.36Å; E514-R518 VanDerWaalsContact O-CZ 3.27Å; E514-R518 PolarHBondContact O-NE 2.92Å; E514-R518 PolarHBondContact O-NH2 3.14Å
515	T	91.7	Very high	93.6	Very high	69 Å²	69	71.6 Å²	71.6	42%	0.423	33%	0.334	S	S	.	.	H	α-helix	trans	-83	-50	-177.5	-53	0	0	0	0	113	Q511 I512 R513	Q511-T515 VanDerWaalsContact O-CB 3.28Å; Q511-T515 WeakPolarHBondContact O-CB 3.43Å; Q511-T515 PolarHBondContact O-N 2.87Å; Q511-T515 PolarHBondContact O-OG1 2.77Å; I512-T515 PolarHBondContact O-N 3.35Å; R513-T515 VanDerWaalsContact C-N 3.3Å; R513-T515 PolarHBondContact O-N 3.44Å
516	R	90.6	Very high	93.8	Very high	121 Å²	121	73.7 Å²	73.7	46%	0.457	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-13.9	-176.3	-53.1	-171	-164.6	-99.7	2.1	116.6	A497 K500 S501 I512	A497-R516 HydrophobicContact CB-CB 3.97Å; A497-R516 WeakPolarHBondContact O-CD 3.42Å; K500-R516 PolarHBondContact O-NE 2.92Å; K500-R516 PolarHBondContact O-NH2 3.26Å; S501-R516 WeakPolarHBondContact OG-CB 3.36Å; S501-R516 VanDerWaalsContact OG-CD 3.27Å; S501-R516 WeakPolarHBondContact OG-CD 3.35Å; S501-R516 WeakPolarHBondContact OG-CG 3.45Å; I512-R516 PolarHBondContact O-N 2.85Å; I512-R516 VanDerWaalsContact O-N 3.13Å
517	L	92.7	Very high	93.8	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	34%	0.343	C	S	.	.			trans	-123.4	44.8	-169.7	-67.2	176.3	0	0	0	113.3	W490 D494 A497 F498 I512 R513 H519 K520 L525	W490-L517 HydrophobicContact CH2-CD1 4.11Å; W490-L517 HydrophobicContact CZ3-CD1 3.8Å; D494-L517 HydrophobicContact CB-CD2 4.1Å; A497-L517 HydrophobicContact CB-CD2 3.83Å; A497-L517 HydrophobicContact CB-CG 4.32Å; F498-L517 HydrophobicContact CB-CD1 3.84Å; F498-L517 HydrophobicContact CD2-CD1 4Å; F498-L517 HydrophobicContact CG-CD1 4.44Å; I512-L517 HydrophobicContact CG2-CD1 4.06Å; I512-L517 PolarHBondContact O-N 3.47Å; R513-L517 WeakPolarHBondContact CG-O 3.34Å; R513-L517 CarbonylContact O-C 3.57Å; R513-L517 PolarHBondContact O-N 3.01Å; L517-H519 PolarHBondContact O-N 2.95Å; L517-K520 PolarHBondContact O-N 3.37Å; L517-K520 VanDerWaalsContact O-N 3.08Å; L517-L525 HydrophobicContact CB-CD2 4Å; L517-L525 HydrophobicContact CD1-CD2 3.6Å; L517-L525 HydrophobicContact CG-CD2 4.46Å
518	R	93.4	Very high	93.8	Very high	185 Å²	185	68.4 Å²	68.4	70%	0.698	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.7	-171.6	-66.5	-177.6	-179.6	-170.5	-2.9	114.2	R513 E514	R513-R518 WeakPolarHBondContact O-CA 3.39Å; R513-R518 WeakPolarHBondContact O-CG 3.39Å; R513-R518 PolarHBondContact O-N 2.82Å; E514-R518 VanDerWaalsContact O-CZ 3.27Å; E514-R518 PolarHBondContact O-NE 2.92Å; E514-R518 PolarHBondContact O-NH2 3.14Å
519	H	92.4	Very high	93.7	Very high	125 Å²	125	65.9 Å²	65.9	58%	0.579	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.9	177.3	56	-63.2	0	0	0	113.8	D494 L517	D494-H519 IonicContact OD1-CD2 3.85Å; D494-H519 IonicContact OD1-CE1 2.7Å; D494-H519 PolarHBondContact OD1-CE1 3.27Å; D494-H519 VanDerWaalsContact OD1-CE1 3.23Å; D494-H519 IonicContact OD1-NE2 3.68Å; D494-H519 PolarHBondContact OD1-NE2 3.01Å; L517-H519 PolarHBondContact O-N 2.95Å
520	K	93.3	Very high	93.6	Very high	19 Å²	19	71.5 Å²	71.5	8%	0.083	32%	0.32	C	S	.	.	S	Bend	trans	-85.4	149	171.6	-64.4	-72.3	-171.9	172.1	0	110	S489 W490 R513 L517 E524 L525	S489-K520 PolarHBondContact O-NZ 3.38Å; W490-K520 HydrophobicContact CH2-CG 4.26Å; W490-K520 HydrophobicContact CZ2-CD 4.13Å; W490-K520 HydrophobicContact CZ2-CG 4.32Å; R513-K520 WeakPolarHBondContact CD-O 3.42Å; R513-K520 WeakPolarHBondContact CG-O 3.39Å; R513-K520 PolarHBondContact NE-O 3.18Å; L517-K520 PolarHBondContact O-N 3.37Å; L517-K520 VanDerWaalsContact O-N 3.08Å; K520-E524 HydrophobicContact CB-CB 4.46Å; K520-E524 HydrophobicContact CD-CB 4.35Å; K520-E524 WeakPolarHBondContact CD-OE1 3.32Å; K520-E524 IonicContact NZ-OE1 3.84Å; K520-L525 HydrophobicContact CB-CD2 3.74Å; K520-L525 HydrophobicContact CB-CG 4.49Å; K520-L525 HydrophobicContact CG-CD2 4.36Å
521	T	93.5	Very high	93.2	Very high	65 Å²	65	65.4 Å²	65.4	40%	0.399	30%	0.301	S	S	.	.			trans	-80.6	156.8	169.2	64.8	0	0	0	0	111.1	S523 E524 L525	T521-S523 PolarHBondContact O-N 2.94Å; T521-E524 VanDerWaalsContact CB-OE2 3.29Å; T521-E524 WeakPolarHBondContact CB-OE2 3.44Å; T521-E524 WeakPolarHBondContact CG2-OE2 3.21Å; T521-E524 PolarHBondContact N-OE2 2.65Å; T521-E524 PolarHBondContact O-N 3.12Å; T521-E524 VanDerWaalsContact O-N 3.14Å; T521-E524 WeakPolarHBondContact OG1-CG 3.38Å; T521-E524 PolarHBondContact OG1-N 2.8Å; T521-E524 PolarHBondContact OG1-OE2 2.93Å; T521-L525 WeakPolarHBondContact O-CG 3.35Å; T521-L525 PolarHBondContact O-N 2.99Å; T521-L525 VanDerWaalsContact O-N 3.13Å
522	V	95.1	Very high	93	Very high	43 Å²	43	61.3 Å²	61.3	26%	0.261	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-31	176.3	-176.6	0	0	0	0	111.5	F509 R510 L525 I526	F509-V522 HydrophobicContact CB-CG1 3.86Å; R510-V522 HydrophobicContact CG-CG2 4.42Å; V522-L525 PolarHBondContact O-N 3.24Å; V522-I526 HydrophobicContact CG1-CD1 3.98Å; V522-I526 WeakPolarHBondContact O-CG1 3.37Å; V522-I526 PolarHBondContact O-N 3.3Å; V522-I526 VanDerWaalsContact O-N 3.07Å
523	S	94.1	Very high	92.8	Very high	38 Å²	38	66.7 Å²	66.7	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-68.7	-41.7	177.2	-142.1	0	0	0	0	112.4	H219 T521 L525 I526 H527	H219-S523 WeakPolarHBondContact CB-OG 3.3Å; H219-S523 PolarHBondContact ND1-OG 3.49Å; T521-S523 PolarHBondContact O-N 2.94Å; S523-L525 VanDerWaalsContact C-N 3.32Å; S523-L525 PolarHBondContact O-N 2.8Å; S523-I526 PolarHBondContact O-N 3.45Å; S523-H527 WeakPolarHBondContact O-CB 3.47Å; S523-H527 PolarHBondContact O-N 3.25Å
524	E	92.8	Very high	92.5	Very high	66 Å²	66	70.2 Å²	70.2	31%	0.308	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-39	172.6	-72.8	161.3	89	0	0	111.8	K520 T521 H527 F528	K520-E524 HydrophobicContact CB-CB 4.46Å; K520-E524 HydrophobicContact CD-CB 4.35Å; K520-E524 WeakPolarHBondContact CD-OE1 3.32Å; K520-E524 IonicContact NZ-OE1 3.84Å; T521-E524 VanDerWaalsContact CB-OE2 3.29Å; T521-E524 WeakPolarHBondContact CB-OE2 3.44Å; T521-E524 WeakPolarHBondContact CG2-OE2 3.21Å; T521-E524 PolarHBondContact N-OE2 2.65Å; T521-E524 PolarHBondContact O-N 3.12Å; T521-E524 VanDerWaalsContact O-N 3.14Å; T521-E524 WeakPolarHBondContact OG1-CG 3.38Å; T521-E524 PolarHBondContact OG1-N 2.8Å; T521-E524 PolarHBondContact OG1-OE2 2.93Å; E524-H527 PolarHBondContact O-N 3.24Å; E524-F528 VanDerWaalsContact O-CB 3.27Å; E524-F528 WeakPolarHBondContact O-CB 3.31Å; E524-F528 PolarHBondContact O-N 3.05Å
525	L	94.3	Very high	92.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-42.6	177	-58.7	-170.6	0	0	0	112.2	W490 F509 I512 R513 L517 K520 T521 V522 S523 Y529	W490-L525 HydrophobicContact CH2-CD2 3.53Å; W490-L525 HydrophobicContact CZ2-CD2 4.26Å; W490-L525 HydrophobicContact CZ3-CD2 4.45Å; F509-L525 HydrophobicContact CB-CB 4.45Å; F509-L525 HydrophobicContact CD1-CB 4.18Å; F509-L525 WeakPolarHBondContact O-CD1 3.28Å; I512-L525 HydrophobicContact CB-CD1 4.2Å; I512-L525 HydrophobicContact CG2-CD1 3.8Å; R513-L525 HydrophobicContact CB-CD1 3.64Å; R513-L525 HydrophobicContact CG-CD1 4.42Å; L517-L525 HydrophobicContact CB-CD2 4Å; L517-L525 HydrophobicContact CD1-CD2 3.6Å; L517-L525 HydrophobicContact CG-CD2 4.46Å; K520-L525 HydrophobicContact CB-CD2 3.74Å; K520-L525 HydrophobicContact CB-CG 4.49Å; K520-L525 HydrophobicContact CG-CD2 4.36Å; T521-L525 WeakPolarHBondContact O-CG 3.35Å; T521-L525 PolarHBondContact O-N 2.99Å; T521-L525 VanDerWaalsContact O-N 3.13Å; V522-L525 PolarHBondContact O-N 3.24Å; S523-L525 VanDerWaalsContact C-N 3.32Å; S523-L525 PolarHBondContact O-N 2.8Å; L525-Y529 WeakPolarHBondContact O-CB 3.4Å; L525-Y529 PolarHBondContact O-N 2.91Å
526	I	95	Very high	92	Very high	64 Å²	64	66.2 Å²	66.2	33%	0.328	31%	0.313	S	S	.	.	H	α-helix	trans	-67.1	-44.9	177.8	-68.9	166.1	0	0	0	110.2	F509 V522 S523 Y529 Y530	F509-I526 HydrophobicContact CB-CG1 4.09Å; F509-I526 HydrophobicContact CD1-CG1 4.17Å; F509-I526 HydrophobicContact CD2-CD1 4.17Å; F509-I526 HydrophobicContact CD2-CG1 3.55Å; F509-I526 HydrophobicContact CE2-CG1 3.97Å; F509-I526 HydrophobicContact CG-CD1 4.47Å; F509-I526 HydrophobicContact CG-CG1 3.65Å; F509-I526 HydrophobicContact CZ-CG1 4.45Å; V522-I526 HydrophobicContact CG1-CD1 3.98Å; V522-I526 WeakPolarHBondContact O-CG1 3.37Å; V522-I526 PolarHBondContact O-N 3.3Å; V522-I526 VanDerWaalsContact O-N 3.07Å; S523-I526 PolarHBondContact O-N 3.45Å; I526-Y529 WeakPolarHBondContact O-CB 3.33Å; I526-Y529 PolarHBondContact O-N 3.46Å; I526-Y530 HydrophobicContact CG2-CD2 4.04Å; I526-Y530 HydrophobicContact CG2-CE2 3.81Å; I526-Y530 VanDerWaalsContact O-CD2 3.24Å; I526-Y530 WeakPolarHBondContact O-CD2 3.16Å; I526-Y530 PolarHBondContact O-N 3.22Å
527	H	91.1	Very high	91.9	Very high	57 Å²	57	64.6 Å²	64.6	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-48.5	177.4	-170.1	103.1	0	0	0	111.3	H219 Y486 S523 E524 Y529 Y530 L531	H219-H527 AromaticContact NE2-ND1 3.97Å; Y486-H527 AromaticContact CD1-CD2 3.49Å; Y486-H527 VanDerWaalsContact CD1-CD2 3.49Å; Y486-H527 WeakPolarHBondContact CD1-CD2 3.24Å; Y486-H527 AromaticContact CD1-NE2 3.43Å; Y486-H527 WeakPolarHBondContact CD1-NE2 3.36Å; Y486-H527 AromaticContact CD2-NE2 3.77Å; Y486-H527 AromaticContact CE1-NE2 3.93Å; Y486-H527 AromaticContact CG-CD2 3.79Å; Y486-H527 AromaticContact CG-NE2 3.32Å; Y486-H527 VanDerWaalsContact CG-NE2 3.32Å; S523-H527 WeakPolarHBondContact O-CB 3.47Å; S523-H527 PolarHBondContact O-N 3.25Å; E524-H527 PolarHBondContact O-N 3.24Å; H527-Y529 PolarHBondContact O-N 2.87Å; H527-Y530 PolarHBondContact O-N 3.48Å; H527-L531 PolarHBondContact O-N 3.24Å
528	F	92.2	Very high	91.9	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-43.8	175.3	177	-97.6	0	0	0	112.2	L487 W490 C495 F498 E524 Y530 L531 W532	L487-F528 HydrophobicContact CD2-CD2 3.9Å; L487-F528 HydrophobicContact CD2-CE2 3.79Å; W490-F528 HydrophobicContact CB-CD2 4.44Å; W490-F528 HydrophobicContact CB-CE2 4.12Å; W490-F528 AromaticContact CD1-CD2 3.64Å; W490-F528 HydrophobicContact CD2-CB 4.32Å; W490-F528 HydrophobicContact CD2-CD1 4.38Å; W490-F528 AromaticContact CD2-CD2 3.4Å; W490-F528 HydrophobicContact CD2-CD2 3.4Å; W490-F528 AromaticContact CD2-CE2 3.69Å; W490-F528 HydrophobicContact CD2-CE2 3.69Å; W490-F528 AromaticContact CD2-CG 3.78Å; W490-F528 HydrophobicContact CD2-CG 3.78Å; W490-F528 HydrophobicContact CD2-CZ 4.3Å; W490-F528 AromaticContact CE2-CD2 3.43Å; W490-F528 VanDerWaalsContact CE2-CD2 3.43Å; W490-F528 AromaticContact CE2-CG 3.49Å; W490-F528 VanDerWaalsContact CE2-CG 3.49Å; W490-F528 HydrophobicContact CE3-CD1 4.16Å; W490-F528 AromaticContact CE3-CD2 3.9Å; W490-F528 HydrophobicContact CE3-CD2 3.9Å; W490-F528 HydrophobicContact CE3-CE1 4.18Å; W490-F528 AromaticContact CE3-CE2 3.91Å; W490-F528 HydrophobicContact CE3-CE2 3.91Å; W490-F528 HydrophobicContact CE3-CG 4.02Å; W490-F528 HydrophobicContact CE3-CZ 4.05Å; W490-F528 AromaticContact CG-CD2 3.61Å; W490-F528 HydrophobicContact CG-CD2 3.61Å; W490-F528 AromaticContact CG-CE2 3.74Å; W490-F528 HydrophobicContact CG-CE2 3.74Å; W490-F528 HydrophobicContact CG-CG 4.44Å; W490-F528 HydrophobicContact CH2-CB 3.78Å; W490-F528 AromaticContact CH2-CD1 3.81Å; W490-F528 HydrophobicContact CH2-CD1 3.81Å; W490-F528 HydrophobicContact CH2-CD2 4.36Å; W490-F528 AromaticContact CH2-CG 3.72Å; W490-F528 HydrophobicContact CH2-CG 3.72Å; W490-F528 HydrophobicContact CZ2-CB 3.23Å; W490-F528 HydrophobicContact CZ2-CD1 4.1Å; W490-F528 AromaticContact CZ2-CD2 3.97Å; W490-F528 HydrophobicContact CZ2-CD2 3.97Å; W490-F528 AromaticContact CZ2-CG 3.51Å; W490-F528 HydrophobicContact CZ2-CG 3.51Å; W490-F528 AromaticContact CZ3-CD1 3.87Å; W490-F528 HydrophobicContact CZ3-CD1 3.87Å; W490-F528 HydrophobicContact CZ3-CD2 4.35Å; W490-F528 HydrophobicContact CZ3-CE1 4.12Å; W490-F528 AromaticContact CZ3-CG 4Å; W490-F528 HydrophobicContact CZ3-CG 4Å; W490-F528 HydrophobicContact CZ3-CZ 4.46Å; W490-F528 AromaticContact NE1-CD2 3.57Å; W490-F528 AromaticContact NE1-CG 3.96Å; C495-F528 HydrophobicContact CB-CZ 4.39Å; F498-F528 HydrophobicContact CB-CE1 4.03Å; F498-F528 HydrophobicContact CD1-CD1 4.15Å; F498-F528 AromaticContact CD1-CE1 3.74Å; F498-F528 HydrophobicContact CD1-CE1 3.74Å; F498-F528 AromaticContact CD2-CD1 3.93Å; F498-F528 HydrophobicContact CD2-CD1 3.93Å; F498-F528 HydrophobicContact CD2-CE1 4.2Å; F498-F528 HydrophobicContact CE1-CD1 4.38Å; F498-F528 HydrophobicContact CE1-CE1 4.29Å; F498-F528 HydrophobicContact CE2-CD1 4.17Å; F498-F528 AromaticContact CG-CD1 3.93Å; F498-F528 HydrophobicContact CG-CD1 3.93Å; F498-F528 AromaticContact CG-CE1 3.71Å; F498-F528 HydrophobicContact CG-CE1 3.71Å; F498-F528 HydrophobicContact CZ-CD1 4.4Å; E524-F528 VanDerWaalsContact O-CB 3.27Å; E524-F528 WeakPolarHBondContact O-CB 3.31Å; E524-F528 PolarHBondContact O-N 3.05Å; F528-Y530 VanDerWaalsContact C-N 3.32Å; F528-Y530 PolarHBondContact O-N 3.06Å; F528-L531 PolarHBondContact O-N 3.49Å; F528-L531 VanDerWaalsContact O-N 3.09Å; F528-W532 HydrophobicContact CD1-CB 4.1Å; F528-W532 HydrophobicContact CE1-CB 3.75Å; F528-W532 AromaticContact CE1-CG 3.91Å; F528-W532 HydrophobicContact CE1-CG 3.91Å; F528-W532 HydrophobicContact CE2-CB 4.47Å; F528-W532 HydrophobicContact CZ-CB 3.96Å; F528-W532 HydrophobicContact CZ-CG 4.18Å; F528-W532 VanDerWaalsContact O-CB 3.23Å; F528-W532 WeakPolarHBondContact O-CB 3.23Å; F528-W532 PolarHBondContact O-N 2.85Å
529	Y	94	Very high	91.7	Very high	21 Å²	21	61.5 Å²	61.5	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-53.9	-45.3	177.5	163.2	-101.6	0	0	0	112.8	F498 F502 F509 L525 I526 H527 L531 W532 K533	F498-Y529 HydrophobicContact CZ-CD2 4.27Å; F502-Y529 HydrophobicContact CD2-CD2 4.46Å; F502-Y529 AromaticContact CE2-CD2 3.69Å; F502-Y529 HydrophobicContact CE2-CD2 3.69Å; F502-Y529 AromaticContact CE2-CE2 3.61Å; F502-Y529 HydrophobicContact CE2-CE2 3.61Å; F502-Y529 HydrophobicContact CZ-CD2 4.17Å; F502-Y529 AromaticContact CZ-CE2 3.68Å; F502-Y529 HydrophobicContact CZ-CE2 3.68Å; F509-Y529 HydrophobicContact CE1-CD1 4.29Å; F509-Y529 HydrophobicContact CE1-CD2 4.23Å; F509-Y529 AromaticContact CE1-CG 3.81Å; F509-Y529 HydrophobicContact CE1-CG 3.81Å; F509-Y529 AromaticContact CZ-CD1 3.73Å; F509-Y529 HydrophobicContact CZ-CD1 3.73Å; F509-Y529 HydrophobicContact CZ-CD2 4.18Å; F509-Y529 HydrophobicContact CZ-CE1 4.23Å; F509-Y529 AromaticContact CZ-CG 3.69Å; F509-Y529 HydrophobicContact CZ-CG 3.69Å; L525-Y529 WeakPolarHBondContact O-CB 3.4Å; L525-Y529 PolarHBondContact O-N 2.91Å; I526-Y529 WeakPolarHBondContact O-CB 3.33Å; I526-Y529 PolarHBondContact O-N 3.46Å; H527-Y529 PolarHBondContact O-N 2.87Å; Y529-L531 VanDerWaalsContact C-N 3.32Å; Y529-L531 PolarHBondContact O-N 2.88Å; Y529-W532 HydrophobicContact CD2-CE3 4.14Å; Y529-W532 HydrophobicContact CD2-CZ3 4.16Å; Y529-W532 HydrophobicContact CE2-CZ3 4.46Å; Y529-K533 VanDerWaalsContact O-CB 3.31Å; Y529-K533 WeakPolarHBondContact O-CB 3.46Å; Y529-K533 PolarHBondContact O-N 3.09Å
530	Y	93.3	Very high	91.7	Very high	147 Å²	147	58.9 Å²	58.9	58%	0.576	29%	0.291	S	S	*	.	H	α-helix	trans	-71.5	-22.7	179.7	-76	-69.9	0	0	0	114.2	I526 H527 F528	I526-Y530 HydrophobicContact CG2-CD2 4.04Å; I526-Y530 HydrophobicContact CG2-CE2 3.81Å; I526-Y530 VanDerWaalsContact O-CD2 3.24Å; I526-Y530 WeakPolarHBondContact O-CD2 3.16Å; I526-Y530 PolarHBondContact O-N 3.22Å; H527-Y530 PolarHBondContact O-N 3.48Å; F528-Y530 VanDerWaalsContact C-N 3.32Å; F528-Y530 PolarHBondContact O-N 3.06Å
531	L	88.3	Confident	91.5	Very high	51 Å²	51	59.4 Å²	59.4	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-82.5	-50.4	171.3	-63.6	178.2	0	0	0	111.5	Y486 L487 H527 F528 Y529 K533 K534	Y486-L531 VanDerWaalsContact CB-CD1 3.44Å; L487-L531 HydrophobicContact CD1-CB 4.49Å; L487-L531 HydrophobicContact CD2-CB 3.67Å; L487-L531 HydrophobicContact CD2-CD1 4.33Å; L487-L531 HydrophobicContact CG-CB 4.08Å; L487-L531 HydrophobicContact CG-CD1 4.22Å; H527-L531 PolarHBondContact O-N 3.24Å; F528-L531 PolarHBondContact O-N 3.49Å; F528-L531 VanDerWaalsContact O-N 3.09Å; Y529-L531 VanDerWaalsContact C-N 3.32Å; Y529-L531 PolarHBondContact O-N 2.88Å; L531-K533 VanDerWaalsContact C-N 3.26Å; L531-K533 PolarHBondContact O-N 3.47Å; L531-K534 WeakPolarHBondContact O-CB 3.38Å; L531-K534 PolarHBondContact O-N 3.3Å
532	W	91.1	Very high	91.4	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-53.3	-41.5	177.1	170.7	77.4	0	0	0	111.6	F498 E499 F502 F528 Y529 K534 T535 H538 F541	F498-W532 HydrophobicContact CD1-CD2 4.37Å; F498-W532 HydrophobicContact CD1-CE3 4.46Å; F498-W532 HydrophobicContact CE1-CD2 4.04Å; F498-W532 AromaticContact CE1-CE3 3.7Å; F498-W532 HydrophobicContact CE1-CE3 3.7Å; F498-W532 HydrophobicContact CE1-CH2 4.19Å; F498-W532 AromaticContact CE1-CZ3 3.77Å; F498-W532 HydrophobicContact CE1-CZ3 3.77Å; E499-W532 HydrophobicContact CG-CZ2 3.8Å; E499-W532 PolarHBondContact OE1-NE1 3.04Å; F502-W532 HydrophobicContact CD1-CH2 4.03Å; F502-W532 HydrophobicContact CD1-CZ3 4.3Å; F502-W532 HydrophobicContact CE1-CH2 4.25Å; F502-W532 HydrophobicContact CE1-CZ3 4.23Å; F502-W532 HydrophobicContact CG-CH2 4.42Å; F502-W532 HydrophobicContact CG-CZ3 4.5Å; F502-W532 HydrophobicContact CZ-CZ3 4.37Å; F528-W532 HydrophobicContact CD1-CB 4.1Å; F528-W532 HydrophobicContact CE1-CB 3.75Å; F528-W532 AromaticContact CE1-CG 3.91Å; F528-W532 HydrophobicContact CE1-CG 3.91Å; F528-W532 HydrophobicContact CE2-CB 4.47Å; F528-W532 HydrophobicContact CZ-CB 3.96Å; F528-W532 HydrophobicContact CZ-CG 4.18Å; F528-W532 VanDerWaalsContact O-CB 3.23Å; F528-W532 WeakPolarHBondContact O-CB 3.23Å; F528-W532 PolarHBondContact O-N 2.85Å; Y529-W532 HydrophobicContact CD2-CE3 4.14Å; Y529-W532 HydrophobicContact CD2-CZ3 4.16Å; Y529-W532 HydrophobicContact CE2-CZ3 4.46Å; W532-K534 PolarHBondContact O-N 3.4Å; W532-T535 WeakPolarHBondContact O-CB 3.33Å; W532-T535 PolarHBondContact O-N 3.05Å; W532-T535 PolarHBondContact O-OG1 3.46Å; W532-H538 HydrophobicContact CD2-CB 4.04Å; W532-H538 HydrophobicContact CE3-CB 4.45Å; W532-H538 AromaticContact CE3-CD2 3.96Å; W532-H538 HydrophobicContact CG-CB 4.39Å; W532-H538 AromaticContact CH2-CD2 3.81Å; W532-H538 HydrophobicContact CZ2-CB 4.27Å; W532-H538 AromaticContact CZ3-CD2 3.67Å; W532-H538 WeakPolarHBondContact O-CB 3.33Å; W532-F541 AromaticContact CH2-CD1 3.58Å; W532-F541 HydrophobicContact CH2-CD1 3.58Å; W532-F541 AromaticContact CH2-CE1 3.78Å; W532-F541 HydrophobicContact CH2-CE1 3.78Å; W532-F541 HydrophobicContact CH2-CG 4.14Å; W532-F541 HydrophobicContact CH2-CZ 4.45Å; W532-F541 HydrophobicContact CZ2-CB 4.05Å; W532-F541 AromaticContact CZ2-CD1 3.67Å; W532-F541 HydrophobicContact CZ2-CD1 3.67Å; W532-F541 HydrophobicContact CZ2-CD2 4.3Å; W532-F541 HydrophobicContact CZ2-CE1 4.21Å; W532-F541 AromaticContact CZ2-CG 3.74Å; W532-F541 HydrophobicContact CZ2-CG 3.74Å
533	K	91.4	Very high	91	Very high	113 Å²	113	58.4 Å²	58.4	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-6.7	175.4	-154.7	-147.2	172.4	-164.5	0	114.9	Y529 L531	Y529-K533 VanDerWaalsContact O-CB 3.31Å; Y529-K533 WeakPolarHBondContact O-CB 3.46Å; Y529-K533 PolarHBondContact O-N 3.09Å; L531-K533 VanDerWaalsContact C-N 3.26Å; L531-K533 PolarHBondContact O-N 3.47Å
534	K	87.8	Confident	90.6	Very high	168 Å²	168	60.6 Å²	60.6	73%	0.73	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	5.9	173.9	-58.5	-179.8	178.9	-179.6	0	113.2	L531 W532	L531-K534 WeakPolarHBondContact O-CB 3.38Å; L531-K534 PolarHBondContact O-N 3.3Å; W532-K534 PolarHBondContact O-N 3.4Å
535	T	86.1	Confident	90.1	Very high	31 Å²	31	61.6 Å²	61.6	19%	0.19	29%	0.29	C	S	.	.	S	Bend	trans	-101.5	145.7	-177.9	67.9	0	0	0	0	111.2	L487 W532 R537 H538 D539	L487-T535 HydrophobicContact CD1-CG2 3.97Å; W532-T535 WeakPolarHBondContact O-CB 3.33Å; W532-T535 PolarHBondContact O-N 3.05Å; W532-T535 PolarHBondContact O-OG1 3.46Å; T535-R537 PolarHBondContact O-N 3.08Å; T535-H538 WeakPolarHBondContact O-CB 3.33Å; T535-H538 PolarHBondContact O-N 2.88Å; T535-H538 PolarHBondContact OG1-N 3.38Å; T535-D539 PolarHBondContact O-N 3.13Å
536	A	88.8	Confident	89.1	Confident	69 Å²	69	69.4 Å²	69.4	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-56	-25.5	174	0	0	0	0	0	112.9	D539 E540	A536-D539 PolarHBondContact O-N 2.93Å; A536-E540 PolarHBondContact O-N 3.36Å
537	R	90.2	Very high	87.6	Confident	87 Å²	87	71.3 Å²	71.3	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-40.3	173.3	-171	-176	177.5	120.8	-1.1	113.2	E492 T496 E499 T535 D539 F541	E492-R537 IonicContact OE1-CZ 2.74Å; E492-R537 IonicContact OE1-NH1 2.71Å; E492-R537 PolarHBondContact OE1-NH1 2.93Å; E492-R537 VanDerWaalsContact OE1-NH1 3.09Å; E492-R537 IonicContact OE1-NH2 2.67Å; E492-R537 PolarHBondContact OE1-NH2 3.34Å; E492-R537 IonicContact OE2-CZ 3.94Å; E492-R537 IonicContact OE2-NH1 3.14Å; E492-R537 PolarHBondContact OE2-NH1 3.13Å; E492-R537 IonicContact OE2-NH2 2.68Å; T496-R537 PolarHBondContact OG1-NH2 3.11Å; T496-R537 VanDerWaalsContact OG1-NH2 3.15Å; E499-R537 VanDerWaalsContact CD-NE 3.29Å; E499-R537 VanDerWaalsContact OE1-CD 3.29Å; E499-R537 WeakPolarHBondContact OE1-CD 3.3Å; E499-R537 WeakPolarHBondContact OE1-CG 3.37Å; E499-R537 IonicContact OE1-CZ 3.71Å; E499-R537 IonicContact OE1-NE 2.79Å; E499-R537 PolarHBondContact OE1-NE 3.01Å; E499-R537 IonicContact OE1-NH2 3.23Å; E499-R537 IonicContact OE2-CZ 3.95Å; E499-R537 IonicContact OE2-NE 3.99Å; E499-R537 PolarHBondContact OE2-NE 3.23Å; E499-R537 VanDerWaalsContact OE2-NE 3.09Å; E499-R537 IonicContact OE2-NH2 2.7Å; E499-R537 PolarHBondContact OE2-NH2 2.97Å; T535-R537 PolarHBondContact O-N 3.08Å; R537-D539 VanDerWaalsContact C-N 3.3Å; R537-F541 WeakPolarHBondContact O-CB 3.18Å; R537-F541 PolarHBondContact O-N 3.19Å
538	H	90.9	Very high	86.2	Confident	31 Å²	31	73.3 Å²	73.3	14%	0.144	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-39.5	170.3	157.7	-88.2	0	0	0	111.1	W532 T535 F541 A542	W532-H538 HydrophobicContact CD2-CB 4.04Å; W532-H538 HydrophobicContact CE3-CB 4.45Å; W532-H538 AromaticContact CE3-CD2 3.96Å; W532-H538 HydrophobicContact CG-CB 4.39Å; W532-H538 AromaticContact CH2-CD2 3.81Å; W532-H538 HydrophobicContact CZ2-CB 4.27Å; W532-H538 AromaticContact CZ3-CD2 3.67Å; W532-H538 WeakPolarHBondContact O-CB 3.33Å; T535-H538 WeakPolarHBondContact O-CB 3.33Å; T535-H538 PolarHBondContact O-N 2.88Å; T535-H538 PolarHBondContact OG1-N 3.38Å; H538-F541 WeakPolarHBondContact O-CB 3.41Å; H538-F541 PolarHBondContact O-N 2.91Å; H538-A542 VanDerWaalsContact O-CB 3.28Å; H538-A542 WeakPolarHBondContact O-CB 3.39Å; H538-A542 PolarHBondContact O-N 2.98Å
539	D	90.7	Very high	84.6	Confident	89 Å²	89	81.4 Å²	81.4	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-37.8	-176.5	-58.4	-29.7	0	0	0	111.1	T535 A536 R537 A542 R543	T535-D539 PolarHBondContact O-N 3.13Å; A536-D539 PolarHBondContact O-N 2.93Å; R537-D539 VanDerWaalsContact C-N 3.3Å; D539-A542 PolarHBondContact O-N 3.3Å; D539-R543 WeakPolarHBondContact O-CB 3.42Å; D539-R543 PolarHBondContact O-N 3.36Å
540	E	90.7	Very high	82.3	Confident	69 Å²	69	85.2 Å²	85.2	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-46.8	168.6	176.3	55.4	-164.2	0	0	112.3	A536 A542 R543 I544	A536-E540 PolarHBondContact O-N 3.36Å; E540-A542 VanDerWaalsContact C-N 3.29Å; E540-A542 PolarHBondContact O-N 3.07Å; E540-R543 VanDerWaalsContact CD-NH2 3.26Å; E540-R543 WeakPolarHBondContact O-CB 3.27Å; E540-R543 PolarHBondContact O-N 3.21Å; E540-R543 VanDerWaalsContact O-N 3.14Å; E540-R543 IonicContact OE1-CZ 3.46Å; E540-R543 IonicContact OE1-NE 3.48Å; E540-R543 IonicContact OE1-NH2 2.79Å; E540-R543 PolarHBondContact OE1-NH2 3.36Å; E540-R543 IonicContact OE2-CZ 3.95Å; E540-R543 IonicContact OE2-NE 3.37Å; E540-R543 PolarHBondContact OE2-NE 2.96Å; E540-R543 IonicContact OE2-NH2 2.79Å; E540-R543 PolarHBondContact OE2-NH2 2.79Å; E540-I544 HydrophobicContact CG-CD1 4.24Å; E540-I544 WeakPolarHBondContact O-CG1 3.31Å; E540-I544 PolarHBondContact O-N 3.34Å; E540-I544 WeakPolarHBondContact OE1-CD1 3.26Å
541	F	90.6	Very high	80	Confident	31 Å²	31	86.4 Å²	86.4	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-55.5	-45.2	174.1	171.1	-87.7	0	0	0	111.5	E499 F502 A503 W532 R537 H538 I544 Y545	E499-F541 HydrophobicContact CB-CD2 3.95Å; E499-F541 HydrophobicContact CB-CE2 4Å; E499-F541 HydrophobicContact CG-CD2 4.1Å; E499-F541 HydrophobicContact CG-CE2 4.49Å; F502-F541 AromaticContact CD1-CE1 3.86Å; F502-F541 HydrophobicContact CD1-CE1 3.86Å; F502-F541 AromaticContact CD1-CZ 3.94Å; F502-F541 HydrophobicContact CD1-CZ 3.94Å; F502-F541 HydrophobicContact CE1-CE1 4.31Å; A503-F541 HydrophobicContact CB-CE2 4.1Å; A503-F541 HydrophobicContact CB-CZ 3.99Å; W532-F541 AromaticContact CH2-CD1 3.58Å; W532-F541 HydrophobicContact CH2-CD1 3.58Å; W532-F541 AromaticContact CH2-CE1 3.78Å; W532-F541 HydrophobicContact CH2-CE1 3.78Å; W532-F541 HydrophobicContact CH2-CG 4.14Å; W532-F541 HydrophobicContact CH2-CZ 4.45Å; W532-F541 HydrophobicContact CZ2-CB 4.05Å; W532-F541 AromaticContact CZ2-CD1 3.67Å; W532-F541 HydrophobicContact CZ2-CD1 3.67Å; W532-F541 HydrophobicContact CZ2-CD2 4.3Å; W532-F541 HydrophobicContact CZ2-CE1 4.21Å; W532-F541 AromaticContact CZ2-CG 3.74Å; W532-F541 HydrophobicContact CZ2-CG 3.74Å; R537-F541 WeakPolarHBondContact O-CB 3.18Å; R537-F541 PolarHBondContact O-N 3.19Å; H538-F541 WeakPolarHBondContact O-CB 3.41Å; H538-F541 PolarHBondContact O-N 2.91Å; F541-I544 PolarHBondContact O-N 3.32Å; F541-Y545 HydrophobicContact CE1-CG 4.36Å; F541-Y545 HydrophobicContact CZ-CG 4.43Å; F541-Y545 WeakPolarHBondContact O-CB 3.36Å; F541-Y545 PolarHBondContact O-N 3.27Å
542	A	89.9	Confident	77.8	Confident	11 Å²	11	87.8 Å²	87.8	9%	0.091	41%	0.409	C	S	.	.	H	α-helix	trans	-68.4	-34.8	178.8	0	0	0	0	0	111.9	H538 D539 E540 R546	H538-A542 VanDerWaalsContact O-CB 3.28Å; H538-A542 WeakPolarHBondContact O-CB 3.39Å; H538-A542 PolarHBondContact O-N 2.98Å; D539-A542 PolarHBondContact O-N 3.3Å; E540-A542 VanDerWaalsContact C-N 3.29Å; E540-A542 PolarHBondContact O-N 3.07Å; A542-R546 VanDerWaalsContact O-CB 3.27Å; A542-R546 WeakPolarHBondContact O-CB 3.47Å; A542-R546 VanDerWaalsContact O-CG 3.25Å; A542-R546 WeakPolarHBondContact O-CG 3.19Å; A542-R546 PolarHBondContact O-N 2.68Å; A542-R546 PolarHBondContact O-NE 2.95Å
543	R	87.4	Confident	75.8	Confident	75 Å²	75	92.8 Å²	92.8	28%	0.283	45%	0.445	S	S	.	.	H	α-helix	trans	-64.4	-42.1	173.2	-166.9	-171.4	68.3	123.2	4.4	111.7	D539 E540 R547	D539-R543 WeakPolarHBondContact O-CB 3.42Å; D539-R543 PolarHBondContact O-N 3.36Å; E540-R543 VanDerWaalsContact CD-NH2 3.26Å; E540-R543 WeakPolarHBondContact O-CB 3.27Å; E540-R543 PolarHBondContact O-N 3.21Å; E540-R543 VanDerWaalsContact O-N 3.14Å; E540-R543 IonicContact OE1-CZ 3.46Å; E540-R543 IonicContact OE1-NE 3.48Å; E540-R543 IonicContact OE1-NH2 2.79Å; E540-R543 PolarHBondContact OE1-NH2 3.36Å; E540-R543 IonicContact OE2-CZ 3.95Å; E540-R543 IonicContact OE2-NE 3.37Å; E540-R543 PolarHBondContact OE2-NE 2.96Å; E540-R543 IonicContact OE2-NH2 2.79Å; E540-R543 PolarHBondContact OE2-NH2 2.79Å; R543-R547 VanDerWaalsContact NH1-NH2 3.12Å
544	I	86	Confident	74.2	Confident	84 Å²	84	94.6 Å²	94.6	43%	0.431	46%	0.455	S	S	.	.	H	α-helix	trans	-65.8	-57	173.3	-64.1	168.8	0	0	0	110	E540 F541 R546 R547 D548	E540-I544 HydrophobicContact CG-CD1 4.24Å; E540-I544 WeakPolarHBondContact O-CG1 3.31Å; E540-I544 PolarHBondContact O-N 3.34Å; E540-I544 WeakPolarHBondContact OE1-CD1 3.26Å; F541-I544 PolarHBondContact O-N 3.32Å; I544-R546 VanDerWaalsContact C-N 3.28Å; I544-R546 PolarHBondContact O-N 3.25Å; I544-R547 WeakPolarHBondContact O-CB 3.39Å; I544-R547 PolarHBondContact O-N 2.93Å; I544-D548 PolarHBondContact O-N 3.49Å
545	Y	81.3	Confident	72.7	Confident	87 Å²	87	90.7 Å²	90.7	34%	0.341	45%	0.447	S	S	.	.	H	α-helix	trans	-62.6	-29.5	-172.9	-174.1	-108.9	0	0	0	113.6	A503 F541	A503-Y545 HydrophobicContact CB-CD2 4.3Å; A503-Y545 HydrophobicContact CB-CE2 4.19Å; F541-Y545 HydrophobicContact CE1-CG 4.36Å; F541-Y545 HydrophobicContact CZ-CG 4.43Å; F541-Y545 WeakPolarHBondContact O-CB 3.36Å; F541-Y545 PolarHBondContact O-N 3.27Å
546	R	75.2	Confident	71.6	Confident	164 Å²	164	93.7 Å²	93.7	62%	0.619	46%	0.461	S	S	*	.	H	α-helix	trans	-69.7	-37.3	171	-76.7	-174.8	-65.6	-113	-0.7	112.9	A542 I544 D548 K549	A542-R546 VanDerWaalsContact O-CB 3.27Å; A542-R546 WeakPolarHBondContact O-CB 3.47Å; A542-R546 VanDerWaalsContact O-CG 3.25Å; A542-R546 WeakPolarHBondContact O-CG 3.19Å; A542-R546 PolarHBondContact O-N 2.68Å; A542-R546 PolarHBondContact O-NE 2.95Å; I544-R546 VanDerWaalsContact C-N 3.28Å; I544-R546 PolarHBondContact O-N 3.25Å; R546-D548 VanDerWaalsContact C-N 3.34Å; R546-D548 PolarHBondContact O-N 3.08Å; R546-K549 PolarHBondContact O-N 3.21Å
547	R	63.5	Low	70.8	Confident	105 Å²	105	96.7 Å²	96.7	40%	0.396	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-36.1	178.3	-73.3	-164.6	-165.8	96.2	-7.2	112.4	R543 I544 K549 K550 C563	R543-R547 VanDerWaalsContact NH1-NH2 3.12Å; I544-R547 WeakPolarHBondContact O-CB 3.39Å; I544-R547 PolarHBondContact O-N 2.93Å; R547-K549 PolarHBondContact O-N 3.22Å; R547-K550 CarbonylContact O-C 3.57Å; R547-K550 PolarHBondContact O-N 3.43Å; R547-C563 PolarHBondContact NH2-SG 3Å
548	D	60.3	Low	70	Confident	99 Å²	99	94.7 Å²	94.7	53%	0.529	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-26.8	179.9	-81.3	-45	0	0	0	113.7	I544 R546	I544-D548 PolarHBondContact O-N 3.49Å; R546-D548 VanDerWaalsContact C-N 3.34Å; R546-D548 PolarHBondContact O-N 3.08Å
549	K	58.3	Low	69.2	Low	173 Å²	173	96.3 Å²	96.3	75%	0.752	48%	0.479	S	S	*	.	H	α-helix	trans	-80.8	-23.2	171.5	-71.6	-166.9	172.9	-169.9	0	114.1	R546 R547 K551	R546-K549 PolarHBondContact O-N 3.21Å; R547-K549 PolarHBondContact O-N 3.22Å; K549-K551 PolarHBondContact O-N 3.45Å
550	K	46.7	Very low	68.4	Low	101 Å²	101	97.3 Å²	97.3	44%	0.439	48%	0.479	S	S	.	.			trans	-103.8	54.1	-174.1	-158.4	-178.7	178.7	-179	0	112.5	R547 S552 D559	R547-K550 CarbonylContact O-C 3.57Å; R547-K550 PolarHBondContact O-N 3.43Å; K550-S552 PolarHBondContact O-N 3.33Å; K550-D559 IonicContact NZ-OD1 3.45Å; K550-D559 IonicContact NZ-OD2 2.69Å; K550-D559 PolarHBondContact NZ-OD2 3.34Å
551	K	45.5	Very low	68	Low	172 Å²	172	99.5 Å²	99.5	75%	0.748	49%	0.49	S	S	*	.			trans	-79.5	13.3	163.9	-75.8	176	178.4	161.1	0	113	K549 S553	K549-K551 PolarHBondContact O-N 3.45Å; K551-S553 VanDerWaalsContact C-N 3.32Å; K551-S553 PolarHBondContact O-N 2.92Å
552	S	41.2	Very low	67.3	Low	81 Å²	81	103 Å²	103	57%	0.566	51%	0.51	S	S	*	.	S	Bend	trans	-79.2	69.5	179.5	42.6	0	0	0	0	113.2	K550 H554	K550-S552 PolarHBondContact O-N 3.33Å; S552-H554 VanDerWaalsContact C-N 3.25Å; S552-H554 PolarHBondContact O-N 3.44Å
553	S	50.1	Low	66.6	Low	109 Å²	109	104.3 Å²	104.3	76%	0.762	52%	0.519	S	S	*	.	S	Bend	trans	57.4	-29.9	157.9	-155.2	0	0	0	0	121.5	K551	K551-S553 VanDerWaalsContact C-N 3.32Å; K551-S553 PolarHBondContact O-N 2.92Å
554	H	56.9	Low	66.2	Low	150 Å²	150	104.2 Å²	104.2	69%	0.694	52%	0.523	S	S	*	.			trans	-137	118.9	-178.4	-77.1	-88	0	0	0	110.7	S552	S552-H554 VanDerWaalsContact C-N 3.25Å; S552-H554 PolarHBondContact O-N 3.44Å
555	P	56.7	Low	66	Low	87 Å²	87	102.9 Å²	102.9	57%	0.565	53%	0.525	S	S	*	.			trans	-65.6	143.6	160.7	30.4	-32.5	0	0	0	108.6	D559	P555-D559 HydrophobicContact CB-CB 4.42Å
556	N	62.6	Low	65.8	Low	93 Å²	93	102.6 Å²	102.6	50%	0.497	53%	0.528	S	S	.	.			trans	-64.6	148.2	164.4	-170.5	-28.1	0	0	0	107.5	A558 D559 F560	N556-A558 PolarHBondContact O-N 2.97Å; N556-A558 PolarHBondContact OD1-N 3Å; N556-D559 HydrophobicContact CB-CB 4.39Å; N556-D559 VanDerWaalsContact CB-OD2 3.28Å; N556-D559 WeakPolarHBondContact CB-OD2 3.38Å; N556-D559 PolarHBondContact N-OD2 2.91Å; N556-D559 WeakPolarHBondContact O-CB 3.49Å; N556-D559 PolarHBondContact O-N 3.21Å; N556-F560 PolarHBondContact O-N 2.97Å
557	I	71.4	Confident	66	Low	132 Å²	132	100.3 Å²	100.3	68%	0.677	52%	0.524	S	S	*	.	H	α-helix	trans	-57.4	-33.6	176.1	-133.9	72.4	0	0	0	110.6	F560 M561	I557-F560 PolarHBondContact O-N 2.83Å; I557-M561 WeakPolarHBondContact O-CB 3.27Å; I557-M561 VanDerWaalsContact O-CG 3.22Å; I557-M561 WeakPolarHBondContact O-CG 3.14Å; I557-M561 PolarHBondContact O-N 3.06Å
558	A	74.9	Confident	66.9	Low	45 Å²	45	102.3 Å²	102.3	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-53.6	170.7	0	0	0	0	0	112.3	N556 F560 M561 D562	N556-A558 PolarHBondContact O-N 2.97Å; N556-A558 PolarHBondContact OD1-N 3Å; A558-F560 PolarHBondContact O-N 3.04Å; A558-M561 PolarHBondContact O-N 3.4Å; A558-M561 VanDerWaalsContact O-N 3.08Å; A558-D562 PolarHBondContact O-N 2.68Å
559	D	72.6	Confident	67.8	Low	66 Å²	66	102.3 Å²	102.3	35%	0.353	54%	0.535	S	S	.	.	H	α-helix	trans	-50.6	-37.7	178.3	-62.6	-43.3	0	0	0	111.8	K550 P555 N556 C563	K550-D559 IonicContact NZ-OD1 3.45Å; K550-D559 IonicContact NZ-OD2 2.69Å; K550-D559 PolarHBondContact NZ-OD2 3.34Å; P555-D559 HydrophobicContact CB-CB 4.42Å; N556-D559 HydrophobicContact CB-CB 4.39Å; N556-D559 VanDerWaalsContact CB-OD2 3.28Å; N556-D559 WeakPolarHBondContact CB-OD2 3.38Å; N556-D559 PolarHBondContact N-OD2 2.91Å; N556-D559 WeakPolarHBondContact O-CB 3.49Å; N556-D559 PolarHBondContact O-N 3.21Å; D559-C563 PolarHBondContact O-N 2.65Å; D559-C563 PolarHBondContact O-SG 3.45Å
560	F	75.2	Confident	68.8	Low	110 Å²	110	99.3 Å²	99.3	48%	0.482	53%	0.526	S	S	.	.	H	α-helix	trans	-80	-42.7	-179.7	179.6	-108.3	0	0	0	113.2	N556 I557 A558 D562 C563 L564	N556-F560 PolarHBondContact O-N 2.97Å; I557-F560 PolarHBondContact O-N 2.83Å; A558-F560 PolarHBondContact O-N 3.04Å; F560-D562 VanDerWaalsContact C-N 3.34Å; F560-D562 PolarHBondContact O-N 2.87Å; F560-C563 WeakPolarHBondContact O-CB 3.25Å; F560-C563 PolarHBondContact O-N 3.17Å; F560-L564 HydrophobicContact CD1-CD1 4.1Å; F560-L564 HydrophobicContact CE1-CD1 3.47Å; F560-L564 VanDerWaalsContact CE1-CD1 3.47Å; F560-L564 HydrophobicContact CE1-CG 4.18Å; F560-L564 HydrophobicContact CE2-CD1 4.48Å; F560-L564 HydrophobicContact CE2-CG 4.41Å; F560-L564 HydrophobicContact CZ-CD1 3.7Å; F560-L564 HydrophobicContact CZ-CD2 4.3Å; F560-L564 HydrophobicContact CZ-CG 4.07Å; F560-L564 PolarHBondContact O-N 3.03Å
561	M	81.6	Confident	70.4	Confident	114 Å²	114	99.7 Å²	99.7	56%	0.562	53%	0.532	S	S	*	.	H	α-helix	trans	-63.6	-39.3	177	-73	-63.8	-64.9	0	0	111.8	I557 A558 C563 L564 A565	I557-M561 WeakPolarHBondContact O-CB 3.27Å; I557-M561 VanDerWaalsContact O-CG 3.22Å; I557-M561 WeakPolarHBondContact O-CG 3.14Å; I557-M561 PolarHBondContact O-N 3.06Å; A558-M561 PolarHBondContact O-N 3.4Å; A558-M561 VanDerWaalsContact O-N 3.08Å; M561-C563 VanDerWaalsContact C-N 3.32Å; M561-C563 PolarHBondContact O-N 2.87Å; M561-L564 PolarHBondContact O-N 3.04Å; M561-A565 WeakPolarHBondContact O-CB 3.22Å; M561-A565 PolarHBondContact O-N 3.46Å
562	D	75.4	Confident	71.9	Confident	104 Å²	104	93.7 Å²	93.7	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-64.6	-36.5	175.1	-66.5	-17.1	0	0	0	111.7	A558 F560 A565 M566	A558-D562 PolarHBondContact O-N 2.68Å; F560-D562 VanDerWaalsContact C-N 3.34Å; F560-D562 PolarHBondContact O-N 2.87Å; D562-A565 PolarHBondContact O-N 3.22Å; D562-M566 WeakPolarHBondContact O-CG 3.43Å; D562-M566 PolarHBondContact O-N 3.36Å
563	C	75.3	Confident	73.5	Confident	40 Å²	40	94 Å²	94	27%	0.27	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-45.8	172.8	-68.7	0	0	0	0	111.8	R547 D559 F560 M561 M566 E567	R547-C563 PolarHBondContact NH2-SG 3Å; D559-C563 PolarHBondContact O-N 2.65Å; D559-C563 PolarHBondContact O-SG 3.45Å; F560-C563 WeakPolarHBondContact O-CB 3.25Å; F560-C563 PolarHBondContact O-N 3.17Å; M561-C563 VanDerWaalsContact C-N 3.32Å; M561-C563 PolarHBondContact O-N 2.87Å; C563-M566 PolarHBondContact O-N 2.94Å; C563-E567 WeakPolarHBondContact O-CB 3.44Å; C563-E567 PolarHBondContact O-N 3.35Å
564	L	79.1	Confident	74.7	Confident	72 Å²	72	92 Å²	92	38%	0.377	49%	0.493	S	S	.	.	H	α-helix	trans	-67.3	-35.4	178.3	-69.5	-179.5	0	0	0	112.5	F560 M561 E567 Q568	F560-L564 HydrophobicContact CD1-CD1 4.1Å; F560-L564 HydrophobicContact CE1-CD1 3.47Å; F560-L564 VanDerWaalsContact CE1-CD1 3.47Å; F560-L564 HydrophobicContact CE1-CG 4.18Å; F560-L564 HydrophobicContact CE2-CD1 4.48Å; F560-L564 HydrophobicContact CE2-CG 4.41Å; F560-L564 HydrophobicContact CZ-CD1 3.7Å; F560-L564 HydrophobicContact CZ-CD2 4.3Å; F560-L564 HydrophobicContact CZ-CG 4.07Å; F560-L564 PolarHBondContact O-N 3.03Å; M561-L564 PolarHBondContact O-N 3.04Å; L564-E567 PolarHBondContact O-N 3.45Å; L564-Q568 VanDerWaalsContact O-CB 3.29Å; L564-Q568 WeakPolarHBondContact O-CB 3.33Å; L564-Q568 PolarHBondContact O-N 3.35Å
565	A	82.1	Confident	75.4	Confident	56 Å²	56	91.9 Å²	91.9	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-49.9	175.4	0	0	0	0	0	111.1	M561 D562 Q568 E569	M561-A565 WeakPolarHBondContact O-CB 3.22Å; M561-A565 PolarHBondContact O-N 3.46Å; D562-A565 PolarHBondContact O-N 3.22Å; A565-Q568 PolarHBondContact O-N 2.81Å; A565-E569 PolarHBondContact O-N 3.18Å
566	M	76.4	Confident	76.1	Confident	82 Å²	82	92.3 Å²	92.3	40%	0.404	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-38.6	175.7	-67.7	-171.9	83.5	0	0	112.7	D562 C563 Q568 E569 I570	D562-M566 WeakPolarHBondContact O-CG 3.43Å; D562-M566 PolarHBondContact O-N 3.36Å; C563-M566 PolarHBondContact O-N 2.94Å; M566-Q568 VanDerWaalsContact C-N 3.33Å; M566-Q568 PolarHBondContact O-N 3.2Å; M566-E569 PolarHBondContact O-N 3.37Å; M566-I570 WeakPolarHBondContact O-CD1 3.41Å; M566-I570 VanDerWaalsContact O-CG1 3.26Å; M566-I570 WeakPolarHBondContact O-CG1 3.41Å; M566-I570 PolarHBondContact O-N 3.21Å
567	E	80.7	Confident	76.2	Confident	116 Å²	116	93.7 Å²	93.7	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-39.9	176.2	-174	172.4	-166	0	0	111.3	C563 L564 L571	C563-E567 WeakPolarHBondContact O-CB 3.44Å; C563-E567 PolarHBondContact O-N 3.35Å; L564-E567 PolarHBondContact O-N 3.45Å; E567-L571 HydrophobicContact CG-CD1 4.25Å; E567-L571 WeakPolarHBondContact O-CB 3.39Å; E567-L571 WeakPolarHBondContact O-CD1 3.42Å; E567-L571 VanDerWaalsContact O-CG 3.24Å; E567-L571 WeakPolarHBondContact O-CG 3.41Å; E567-L571 PolarHBondContact O-N 2.91Å
568	Q	81.4	Confident	75.9	Confident	147 Å²	147	90.4 Å²	90.4	69%	0.687	48%	0.476	S	S	*	.	H	α-helix	trans	-67.6	-34.7	173.8	-176.2	166.7	87.1	0	0	112.6	L564 A565 M566 A572	L564-Q568 VanDerWaalsContact O-CB 3.29Å; L564-Q568 WeakPolarHBondContact O-CB 3.33Å; L564-Q568 PolarHBondContact O-N 3.35Å; A565-Q568 PolarHBondContact O-N 2.81Å; M566-Q568 VanDerWaalsContact C-N 3.33Å; M566-Q568 PolarHBondContact O-N 3.2Å; Q568-A572 WeakPolarHBondContact O-CB 3.5Å; Q568-A572 PolarHBondContact O-N 3.3Å
569	E	79.6	Confident	75.2	Confident	98 Å²	98	90 Å²	90	46%	0.458	47%	0.472	S	S	.	.	H	α-helix	trans	-67.5	-48.3	174.4	-172.5	162.6	-139.1	0	0	111.7	A565 M566 L571 A572 E573	A565-E569 PolarHBondContact O-N 3.18Å; M566-E569 PolarHBondContact O-N 3.37Å; E569-L571 VanDerWaalsContact C-N 3.29Å; E569-L571 PolarHBondContact O-N 3.46Å; E569-A572 CarbonylContact O-C 3.57Å; E569-A572 WeakPolarHBondContact O-CA 3.29Å; E569-A572 WeakPolarHBondContact O-CB 3.46Å; E569-A572 PolarHBondContact O-N 3.33Å; E569-E573 WeakPolarHBondContact O-CG 3.49Å; E569-E573 PolarHBondContact O-N 2.95Å
570	I	79	Confident	74.7	Confident	111 Å²	111	90.4 Å²	90.4	57%	0.569	48%	0.477	S	S	*	.	H	α-helix	trans	-59.4	-40.1	175	-66.5	162.4	0	0	0	111.2	M566 E573 S574	M566-I570 WeakPolarHBondContact O-CD1 3.41Å; M566-I570 VanDerWaalsContact O-CG1 3.26Å; M566-I570 WeakPolarHBondContact O-CG1 3.41Å; M566-I570 PolarHBondContact O-N 3.21Å; I570-E573 PolarHBondContact O-N 2.95Å; I570-S574 WeakPolarHBondContact O-CB 3.37Å; I570-S574 PolarHBondContact O-N 3.41Å; I570-S574 PolarHBondContact O-OG 3.31Å; I570-S574 VanDerWaalsContact O-OG 3.12Å
571	L	79.8	Confident	73.8	Confident	108 Å²	108	89.5 Å²	89.5	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-65.5	-39.2	173.4	-75.2	168.7	0	0	0	112.1	E567 E569 S574 Y575	E567-L571 HydrophobicContact CG-CD1 4.25Å; E567-L571 WeakPolarHBondContact O-CB 3.39Å; E567-L571 WeakPolarHBondContact O-CD1 3.42Å; E567-L571 VanDerWaalsContact O-CG 3.24Å; E567-L571 WeakPolarHBondContact O-CG 3.41Å; E567-L571 PolarHBondContact O-N 2.91Å; E569-L571 VanDerWaalsContact C-N 3.29Å; E569-L571 PolarHBondContact O-N 3.46Å; L571-S574 PolarHBondContact O-OG 3.19Å; L571-Y575 WeakPolarHBondContact O-CB 3.46Å; L571-Y575 PolarHBondContact O-N 2.95Å
572	A	78.3	Confident	72.5	Confident	47 Å²	47	88.5 Å²	88.5	39%	0.388	48%	0.478	S	S	.	.	H	α-helix	trans	-67.2	-39.6	175.8	0	0	0	0	0	112.5	Q568 E569 Y575 M576	Q568-A572 WeakPolarHBondContact O-CB 3.5Å; Q568-A572 PolarHBondContact O-N 3.3Å; E569-A572 CarbonylContact O-C 3.57Å; E569-A572 WeakPolarHBondContact O-CA 3.29Å; E569-A572 WeakPolarHBondContact O-CB 3.46Å; E569-A572 PolarHBondContact O-N 3.33Å; A572-Y575 WeakPolarHBondContact O-CB 3.3Å; A572-Y575 WeakPolarHBondContact O-CD1 3.28Å; A572-Y575 PolarHBondContact O-N 2.88Å; A572-M576 WeakPolarHBondContact O-CG 3.36Å; A572-M576 PolarHBondContact O-N 2.87Å
573	E	73.6	Confident	71.6	Confident	88 Å²	88	88.2 Å²	88.2	41%	0.411	48%	0.479	S	S	.	.	H	α-helix	trans	-69.6	-41.9	177.2	-67.1	-158.7	135.1	0	0	111.9	E569 I570 Y575 M576 Q577 R641	E569-E573 WeakPolarHBondContact O-CG 3.49Å; E569-E573 PolarHBondContact O-N 2.95Å; I570-E573 PolarHBondContact O-N 2.95Å; E573-Y575 VanDerWaalsContact C-N 3.34Å; E573-Y575 PolarHBondContact O-N 3.05Å; E573-M576 PolarHBondContact O-N 3.01Å; E573-M576 VanDerWaalsContact O-N 3.1Å; E573-Q577 WeakPolarHBondContact O-CB 3.46Å; E573-Q577 PolarHBondContact O-N 2.73Å; E573-R641 IonicContact OE1-CZ 3.69Å; E573-R641 IonicContact OE1-NH1 3.53Å; E573-R641 PolarHBondContact OE1-NH1 3.17Å
574	S	75.4	Confident	70.6	Confident	67 Å²	67	92.5 Å²	92.5	47%	0.469	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-36.4	173.3	63.1	0	0	0	0	113.1	I570 L571 S578	I570-S574 WeakPolarHBondContact O-CB 3.37Å; I570-S574 PolarHBondContact O-N 3.41Å; I570-S574 PolarHBondContact O-OG 3.31Å; I570-S574 VanDerWaalsContact O-OG 3.12Å; L571-S574 PolarHBondContact O-OG 3.19Å; S574-S578 PolarHBondContact O-N 2.9Å; S574-S578 PolarHBondContact O-OG 3.2Å
575	Y	72.9	Confident	69.3	Low	146 Å²	146	93.3 Å²	93.3	57%	0.573	51%	0.51	S	S	*	.	H	α-helix	trans	-59.5	-47.5	168	150.2	-115.4	0	0	0	111.6	L571 A572 E573 Q577 S578 A579	L571-Y575 WeakPolarHBondContact O-CB 3.46Å; L571-Y575 PolarHBondContact O-N 2.95Å; A572-Y575 WeakPolarHBondContact O-CB 3.3Å; A572-Y575 WeakPolarHBondContact O-CD1 3.28Å; A572-Y575 PolarHBondContact O-N 2.88Å; E573-Y575 VanDerWaalsContact C-N 3.34Å; E573-Y575 PolarHBondContact O-N 3.05Å; Y575-Q577 PolarHBondContact O-N 2.73Å; Y575-S578 PolarHBondContact O-N 3Å; Y575-S578 PolarHBondContact O-OG 2.71Å; Y575-A579 WeakPolarHBondContact O-CB 3.2Å; Y575-A579 PolarHBondContact O-N 3.04Å
576	M	71.3	Confident	67.8	Low	96 Å²	96	95 Å²	95	47%	0.473	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-36.7	-179.8	-65.9	-86.7	64.2	0	0	112.8	A572 E573 A579 T580	A572-M576 WeakPolarHBondContact O-CG 3.36Å; A572-M576 PolarHBondContact O-N 2.87Å; E573-M576 PolarHBondContact O-N 3.01Å; E573-M576 VanDerWaalsContact O-N 3.1Å; M576-A579 HydrophobicContact CE-CB 4.1Å; M576-A579 WeakPolarHBondContact O-CB 3.3Å; M576-A579 PolarHBondContact O-N 3.17Å; M576-T580 PolarHBondContact O-N 3.47Å; M576-T580 PolarHBondContact O-OG1 2.96Å
577	Q	63.4	Low	66.5	Low	122 Å²	122	94.9 Å²	94.9	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-66.7	-44.1	175.9	-158.3	68.9	13.4	0	0	111.7	E573 Y575 A579 T580 D581	E573-Q577 WeakPolarHBondContact O-CB 3.46Å; E573-Q577 PolarHBondContact O-N 2.73Å; Y575-Q577 PolarHBondContact O-N 2.73Å; Q577-A579 VanDerWaalsContact C-N 3.28Å; Q577-A579 PolarHBondContact O-N 3.34Å; Q577-T580 WeakPolarHBondContact CA-OG1 3.32Å; Q577-T580 PolarHBondContact O-N 3.13Å; Q577-T580 PolarHBondContact O-OG1 3.5Å; Q577-D581 PolarHBondContact O-N 3.41Å
578	S	65.6	Low	64.9	Low	64 Å²	64	95.1 Å²	95.1	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-65.6	-31.8	174.3	66.7	0	0	0	0	112.7	S574 Y575 V582	S574-S578 PolarHBondContact O-N 2.9Å; S574-S578 PolarHBondContact O-OG 3.2Å; Y575-S578 PolarHBondContact O-N 3Å; Y575-S578 PolarHBondContact O-OG 2.71Å; S578-V582 WeakPolarHBondContact O-CG2 3.36Å; S578-V582 PolarHBondContact O-N 3.47Å; S578-V582 VanDerWaalsContact O-N 3.1Å
579	A	60.6	Low	63	Low	35 Å²	35	92.9 Å²	92.9	29%	0.289	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-40.4	173.4	0	0	0	0	0	112.3	Y575 M576 Q577 V583	Y575-A579 WeakPolarHBondContact O-CB 3.2Å; Y575-A579 PolarHBondContact O-N 3.04Å; M576-A579 HydrophobicContact CE-CB 4.1Å; M576-A579 WeakPolarHBondContact O-CB 3.3Å; M576-A579 PolarHBondContact O-N 3.17Å; Q577-A579 VanDerWaalsContact C-N 3.28Å; Q577-A579 PolarHBondContact O-N 3.34Å; A579-V583 VanDerWaalsContact O-CG2 3.32Å; A579-V583 WeakPolarHBondContact O-CG2 3.18Å; A579-V583 PolarHBondContact O-N 3.02Å; A579-V583 VanDerWaalsContact O-N 3.13Å
580	T	62.9	Low	61.1	Low	75 Å²	75	96 Å²	96	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-40.6	173.9	46.4	0	0	0	0	111.8	M576 Q577 V582 V583 L584	M576-T580 PolarHBondContact O-N 3.47Å; M576-T580 PolarHBondContact O-OG1 2.96Å; Q577-T580 WeakPolarHBondContact CA-OG1 3.32Å; Q577-T580 PolarHBondContact O-N 3.13Å; Q577-T580 PolarHBondContact O-OG1 3.5Å; T580-V582 PolarHBondContact O-N 3.37Å; T580-V583 PolarHBondContact O-N 3.44Å; T580-L584 WeakPolarHBondContact O-CB 3.46Å; T580-L584 PolarHBondContact O-N 2.97Å
581	D	54.6	Low	59.2	Low	91 Å²	91	96 Å²	96	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-62.4	-40.1	177.1	-73.1	-26.1	0	0	0	112.9	Q577 S585	Q577-D581 PolarHBondContact O-N 3.41Å; D581-S585 VanDerWaalsContact O-CB 3.24Å; D581-S585 WeakPolarHBondContact O-CB 3.35Å; D581-S585 PolarHBondContact O-N 3.4Å; D581-S585 PolarHBondContact O-OG 2.81Å
582	V	56.2	Low	57	Low	94 Å²	94	98.8 Å²	98.8	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-67.1	-39.2	175.2	170.5	0	0	0	0	111.8	S578 T580 T586	S578-V582 WeakPolarHBondContact O-CG2 3.36Å; S578-V582 PolarHBondContact O-N 3.47Å; S578-V582 VanDerWaalsContact O-N 3.1Å; T580-V582 PolarHBondContact O-N 3.37Å; V582-T586 PolarHBondContact O-N 3.35Å; V582-T586 VanDerWaalsContact O-N 3.09Å; V582-T586 PolarHBondContact O-OG1 3.44Å
583	V	56	Low	55.1	Low	98 Å²	98	101 Å²	101	59%	0.594	59%	0.59	S	S	*	*	H	α-helix	trans	-68.4	-42.9	176.6	170.4	0	0	0	0	111.2	A579 T580 S585 T586 A587	A579-V583 VanDerWaalsContact O-CG2 3.32Å; A579-V583 WeakPolarHBondContact O-CG2 3.18Å; A579-V583 PolarHBondContact O-N 3.02Å; A579-V583 VanDerWaalsContact O-N 3.13Å; T580-V583 PolarHBondContact O-N 3.44Å; V583-S585 VanDerWaalsContact C-N 3.34Å; V583-S585 PolarHBondContact O-N 3.32Å; V583-T586 PolarHBondContact O-N 2.97Å; V583-T586 PolarHBondContact O-OG1 3.33Å; V583-A587 WeakPolarHBondContact O-CB 3.47Å; V583-A587 PolarHBondContact O-N 2.82Å
584	L	54.4	Low	53.4	Low	130 Å²	130	105.2 Å²	105.2	68%	0.681	61%	0.609	S	S	*	*	H	α-helix	trans	-66.3	-38.1	177.7	-142.9	73.3	0	0	0	111.6	T580 T586 A587	T580-L584 WeakPolarHBondContact O-CB 3.46Å; T580-L584 PolarHBondContact O-N 2.97Å; L584-T586 PolarHBondContact O-N 2.96Å; L584-A587 PolarHBondContact O-N 3.26Å
585	S	52.1	Low	52	Low	88 Å²	88	112.4 Å²	112.4	62%	0.615	63%	0.632	S	S	*	*	H	α-helix	trans	-65.3	-34.5	175.4	-61.7	0	0	0	0	113	D581 V583 T588	D581-S585 VanDerWaalsContact O-CB 3.24Å; D581-S585 WeakPolarHBondContact O-CB 3.35Å; D581-S585 PolarHBondContact O-N 3.4Å; D581-S585 PolarHBondContact O-OG 2.81Å; V583-S585 VanDerWaalsContact C-N 3.34Å; V583-S585 PolarHBondContact O-N 3.32Å; S585-T588 PolarHBondContact O-OG1 3.48Å
586	T	50.8	Low	50.1	Low	93 Å²	93	115.7 Å²	115.7	57%	0.571	65%	0.645	S	S	*	*	H	α-helix	trans	-85.9	-19.9	179.2	44.7	0	0	0	0	114	V582 V583 L584 T588	V582-T586 PolarHBondContact O-N 3.35Å; V582-T586 VanDerWaalsContact O-N 3.09Å; V582-T586 PolarHBondContact O-OG1 3.44Å; V583-T586 PolarHBondContact O-N 2.97Å; V583-T586 PolarHBondContact O-OG1 3.33Å; L584-T586 PolarHBondContact O-N 2.96Å; T586-T588 PolarHBondContact O-N 3.44Å; T586-T588 VanDerWaalsContact O-N 3.1Å
587	A	48.8	Very low	48.6	Very low	78 Å²	78	117.6 Å²	117.6	65%	0.645	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-5.2	177.7	0	0	0	0	0	115.2	V583 L584	V583-A587 WeakPolarHBondContact O-CB 3.47Å; V583-A587 PolarHBondContact O-N 2.82Å; L584-A587 PolarHBondContact O-N 3.26Å
588	T	47.3	Very low	47.2	Very low	122 Å²	122	119.5 Å²	119.5	75%	0.748	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	25.2	-173.5	58	0	0	0	0	114.9	S585 T586	S585-T588 PolarHBondContact O-OG1 3.48Å; T586-T588 PolarHBondContact O-N 3.44Å; T586-T588 VanDerWaalsContact O-N 3.1Å
589	S	40.2	Very low	45.7	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	68%	0.68	S	S	*	*	S	Bend	trans	-135.1	137	167.3	63.5	0	0	0	0	112.2
590	N	39.3	Very low	44.4	Very low	164 Å²	164	127.2 Å²	127.2	88%	0.877	70%	0.7	S	S	*	*			trans	-76.5	146.4	-179.1	-111.4	-29	0	0	0	111
591	P	39.3	Very low	42.9	Very low	112 Å²	112	129.3 Å²	129.3	73%	0.727	72%	0.718	S	S	*	*			trans	-89.6	139.5	-160.9	33.7	-36.1	0	0	0	114.8
592	D	33.8	Very low	42.2	Very low	165 Å²	165	133 Å²	133	88%	0.882	74%	0.735	S	S	*	*			trans	-105.5	120.5	159	-104	-35	0	0	0	109.6
593	P	38	Very low	41.1	Very low	95 Å²	95	133 Å²	133	62%	0.617	74%	0.74	S	S	*	*			trans	-79.8	168.5	170.3	32.4	-32.8	0	0	0	112
594	H	39.3	Very low	40.1	Very low	175 Å²	175	135.4 Å²	135.4	81%	0.81	75%	0.749	S	S	*	*			trans	79.1	75.9	175.3	-46.5	-77.3	0	0	0	118.1
595	K	44.7	Very low	39.2	Very low	218 Å²	218	137.2 Å²	137.2	95%	0.948	76%	0.758	S	S	*	*				-158.6	159.5	117.5	-101.3	141.5	-167	169.7	0	111.9
596	Y	33.4	Very low	38.4	Very low	215 Å²	215	136 Å²	136	84%	0.843	76%	0.759	S	S	*	*			trans	-127.5	174	-168.7	-150.9	-95.6	0	0	0	108.7
597	I	40.1	Very low	37.6	Very low	136 Å²	136	136.9 Å²	136.9	70%	0.697	77%	0.769	S	S	*	*			trans	91.9	97.3	168.3	-50.8	168.5	0	0	0	116.9
598	Q	33.4	Very low	37.1	Very low	162 Å²	162	142.1 Å²	142.1	76%	0.757	78%	0.783	S	S	*	*				36.8	138.8	126.6	-52.3	-178.6	2.6	0	0	122.2
599	L	34	Very low	36.6	Very low	145 Å²	145	145.9 Å²	145.9	76%	0.759	79%	0.789	S	S	*	*				-165.7	114.3	105.9	-120.1	68.8	0	0	0	110.1
600	T	34.9	Very low	36.3	Very low	116 Å²	116	146.2 Å²	146.2	71%	0.712	80%	0.797	S	S	*	*				71.6	129.4	109.1	59.8	0	0	0	0	118.6
601	S	31.2	Very low	36	Very low	120 Å²	120	141.9 Å²	141.9	84%	0.839	79%	0.791	S	S	*	*			trans	-68.3	159.3	177.5	-36.1	0	0	0	0	114.7
602	I	39.8	Very low	35.5	Very low	167 Å²	167	142.8 Å²	142.8	86%	0.856	80%	0.8	S	S	*	*			trans	-125	136.4	163.5	-61.3	177.9	0	0	0	108.6
603	S	32.7	Very low	35.5	Very low	96 Å²	96	140.5 Å²	140.5	67%	0.671	80%	0.796	S	S	*	*			trans	-140.5	167	173.8	59.2	0	0	0	0	110.3
604	N	33.8	Very low	35.2	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	80%	0.803	S	S	*	*			trans	70	145.7	-162	-47.5	-41.9	0	0	0	111.5
605	I	37.2	Very low	35	Very low	169 Å²	169	144.3 Å²	144.3	87%	0.867	81%	0.808	S	S	*	*			cis	-133	151.7	33.3	-71.2	157	0	0	0	110.7
606	G	34.2	Very low	34	Very low	62 Å²	62	140 Å²	140	64%	0.639	80%	0.795	S	S	*	*			trans	-119.2	-168.8	175	0	0	0	0	0	114.1
607	S	34.3	Very low	34	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	79%	0.79	S	S	*	*			trans	71.8	96.8	175.8	-163.2	0	0	0	0	116.9
608	M	38.9	Very low	33.5	Very low	187 Å²	187	134.2 Å²	134.2	92%	0.921	80%	0.799	S	S	*	*			trans	-137.8	160.4	138.1	-90.1	-61.4	105.3	0	0	108.8
609	K	36.9	Very low	33.6	Very low	202 Å²	202	134.2 Å²	134.2	88%	0.878	80%	0.802	S	S	*	*			trans	-107	156.7	-158.8	-166.2	168.1	178.4	176.3	0	112.7
610	A	32.5	Very low	33.3	Very low	106 Å²	106	132.1 Å²	132.1	88%	0.876	80%	0.8	S	S	*	*			trans	-54.6	142.9	-172.4	0	0	0	0	0	115.2
611	G	33.5	Very low	33.2	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	80%	0.802	S	S	*	*			trans	-146.8	140.4	165.6	0	0	0	0	0	109.1
612	S	29.9	Very low	33.2	Very low	132 Å²	132	133.4 Å²	133.4	92%	0.923	80%	0.801	S	S	*	*			trans	-87.4	135.6	-178.8	-178.6	0	0	0	0	111.3
613	C	32.9	Very low	33	Very low	116 Å²	116	133.4 Å²	133.4	78%	0.784	80%	0.803	S	S	*	*			trans	-154.7	145.4	167.2	52.1	0	0	0	0	111.3
614	Q	32.5	Very low	33.1	Very low	163 Å²	163	132.2 Å²	132.2	76%	0.762	80%	0.799	S	S	*	*			trans	-71.2	152.2	-179.1	-68.2	155.1	-113.9	0	0	112.6	D616	Q614-D616 PolarHBondContact NE2-OD2 3.19Å
615	M	33.8	Very low	33.1	Very low	188 Å²	188	133.4 Å²	133.4	93%	0.926	80%	0.8	S	S	*	*			trans	-98.1	68.7	166.6	-76.8	-65.5	-160.6	0	0	111.4
616	D	25	Very low	32.8	Very low	126 Å²	126	132.2 Å²	132.2	67%	0.674	80%	0.795	S	S	*	*			trans	-102.4	101.8	159.6	-76.6	-63.8	0	0	0	107.8	Q614	Q614-D616 PolarHBondContact NE2-OD2 3.19Å
617	S	33	Very low	32.6	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	80%	0.804	S	S	*	*			trans	-157.9	99.1	176	-80.6	0	0	0	0	112.6
618	S	29.6	Very low	32.4	Very low	125 Å²	125	134.2 Å²	134.2	87%	0.874	81%	0.807	S	S	*	*			trans	-77.8	128	163	40.7	0	0	0	0	110.1
619	I	34.5	Very low	31.9	Very low	161 Å²	161	132.3 Å²	132.3	83%	0.826	81%	0.805	S	S	*	*			trans	-105.7	104.2	172.3	-61.4	-178.4	0	0	0	108.9
620	S	27.8	Very low	31.6	Very low	102 Å²	102	129.1 Å²	129.1	71%	0.713	80%	0.802	S	S	*	*			trans	-100.7	127.5	161.3	177	0	0	0	0	108.6
621	S	33.8	Very low	31.4	Very low	110 Å²	110	129 Å²	129	77%	0.769	80%	0.796	S	S	*	*			trans	-159.5	125	163.7	-84.2	0	0	0	0	110.7
622	N	31.8	Very low	31.3	Very low	153 Å²	153	130.1 Å²	130.1	82%	0.818	80%	0.797	S	S	*	*			trans	-86.5	142.4	179.7	-33.9	-88.3	0	0	0	110.5
623	N	34.7	Very low	31.3	Very low	167 Å²	167	129.4 Å²	129.4	89%	0.893	78%	0.783	S	S	*	*				-156.2	171	121.7	-139.5	-22.4	0	0	0	111.7
624	A	34.4	Very low	31.2	Very low	71 Å²	71	128.4 Å²	128.4	59%	0.587	78%	0.777	S	S	*	*			trans	-118	169.1	-164.6	0	0	0	0	0	114.6
625	Q	34.3	Very low	31.3	Very low	171 Å²	171	124.1 Å²	124.1	80%	0.799	77%	0.765	S	S	*	*			trans	63.9	93	158.8	-59.5	168.2	28.6	0	0	117.9
626	N	31.1	Very low	31.3	Very low	144 Å²	144	124 Å²	124	77%	0.77	76%	0.761	S	S	*	*				177.5	155	97.2	-98.4	-40.8	0	0	0	114.3
627	T	30.5	Very low	31.8	Very low	135 Å²	135	121.9 Å²	121.9	83%	0.828	75%	0.753	S	S	*	*			trans	37.4	119.5	151.2	58.7	0	0	0	0	120.4
628	G	30	Very low	31.7	Very low	81 Å²	81	121.1 Å²	121.1	84%	0.835	75%	0.747	S	S	*	*			trans	156.6	118.5	156.5	0	0	0	0	0	114.4
629	V	28.4	Very low	31.7	Very low	147 Å²	147	120.1 Å²	120.1	89%	0.891	74%	0.736	S	S	*	*			trans	-71.7	125.3	171	-87.8	0	0	0	0	111.8
630	V	29.5	Very low	31.5	Very low	135 Å²	135	117.8 Å²	117.8	82%	0.818	73%	0.734	S	S	*	*			trans	-145.3	120.4	132.1	-176.1	0	0	0	0	107.3
631	S	27.9	Very low	31.7	Very low	105 Å²	105	120.9 Å²	120.9	73%	0.734	73%	0.73	S	S	*	*			trans	-95.2	118.4	161	-71.3	0	0	0	0	107.9	N633	S631-N633 PolarHBondContact O-N 3.13Å
632	A	32.4	Very low	31.6	Very low	94 Å²	94	120.7 Å²	120.7	78%	0.777	73%	0.729	S	S	*	*			trans	-75.2	103	166	0	0	0	0	0	108.2
633	N	29.9	Very low	31.7	Very low	118 Å²	118	118.7 Å²	118.7	63%	0.631	73%	0.726	S	S	*	*			trans	-71.5	129.7	170.5	-74.8	2.6	0	0	0	108.6	S631 S635	S631-N633 PolarHBondContact O-N 3.13Å; N633-S635 PolarHBondContact O-N 3.32Å
634	C	30.5	Very low	31.6	Very low	95 Å²	95	117.5 Å²	117.5	64%	0.642	73%	0.725	S	S	*	*	S	Bend	trans	-75	66	169.4	-68.5	0	0	0	0	110.2
635	S	34.1	Very low	31.5	Very low	73 Å²	73	121 Å²	121	51%	0.51	73%	0.733	S	S	.	*			trans	-133.5	30.9	-177.4	-49.1	0	0	0	0	110.5	N633 T637	N633-S635 PolarHBondContact O-N 3.32Å; S635-T637 PolarHBondContact O-N 2.74Å
636	E	33.7	Very low	31.3	Very low	184 Å²	184	123.6 Å²	123.6	86%	0.86	74%	0.736	S	S	*	*			trans	-72.6	100.3	-179.2	-68.1	-174.2	165.4	0	0	109.6
637	T	35.5	Very low	31.3	Very low	82 Å²	82	127.4 Å²	127.4	50%	0.503	74%	0.741	S	S	.	*			trans	-61.7	142.1	177.8	48.5	0	0	0	0	110.7	S635 T639	S635-T637 PolarHBondContact O-N 2.74Å; T637-T639 VanDerWaalsContact C-N 3.27Å; T637-T639 PolarHBondContact O-N 2.71Å
638	C	31.3	Very low	31.4	Very low	91 Å²	91	128 Å²	128	62%	0.615	75%	0.745	S	S	*	*			trans	-68.1	80.4	179	-59.5	0	0	0	0	111.9	S640	C638-S640 VanDerWaalsContact C-N 3.29Å; C638-S640 PolarHBondContact O-N 3.26Å
639	T	29	Very low	31.7	Very low	104 Å²	104	127.4 Å²	127.4	64%	0.638	74%	0.738	S	S	*	*			trans	-77.5	80.7	168.5	51.8	0	0	0	0	109.8	T637 R641	T637-T639 VanDerWaalsContact C-N 3.27Å; T637-T639 PolarHBondContact O-N 2.71Å; T639-R641 PolarHBondContact O-N 2.84Å
640	S	31.5	Very low	32.4	Very low	111 Å²	111	127.3 Å²	127.3	78%	0.776	73%	0.732	S	S	*	*			trans	-66.9	78.1	167.6	-55.2	0	0	0	0	110.1	C638 S642	C638-S640 VanDerWaalsContact C-N 3.29Å; C638-S640 PolarHBondContact O-N 3.26Å; S640-S642 VanDerWaalsContact C-N 3.33Å; S640-S642 PolarHBondContact O-N 3.26Å
641	R	31.2	Very low	33.1	Very low	168 Å²	168	125 Å²	125	63%	0.634	72%	0.722	S	S	*	*			trans	-73.1	83.6	178.3	-63.7	174	90.2	179.4	6.7	109.2	E573 T639 S643	E573-R641 IonicContact OE1-CZ 3.69Å; E573-R641 IonicContact OE1-NH1 3.53Å; E573-R641 PolarHBondContact OE1-NH1 3.17Å; T639-R641 PolarHBondContact O-N 2.84Å; R641-S643 PolarHBondContact O-N 3.38Å
642	S	31.4	Very low	34.1	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	72%	0.717	S	S	*	*			trans	-61.4	134.8	168.1	60.4	0	0	0	0	109.8	S640 V644	S640-S642 VanDerWaalsContact C-N 3.33Å; S640-S642 PolarHBondContact O-N 3.26Å; S642-V644 PolarHBondContact O-N 3.19Å
643	S	34	Very low	35.2	Very low	110 Å²	110	126.7 Å²	126.7	77%	0.769	71%	0.71	S	S	*	*			trans	-55.3	124	-176.2	-58.8	0	0	0	0	111.2	R641 N645	R641-S643 PolarHBondContact O-N 3.38Å; S643-N645 PolarHBondContact O-N 3.02Å
644	V	33.1	Very low	36.5	Very low	142 Å²	142	128.5 Å²	128.5	86%	0.861	71%	0.712	S	S	*	*			trans	-71.6	76.5	-177.4	-174.5	0	0	0	0	110.6	S642	S642-V644 PolarHBondContact O-N 3.19Å
645	N	32.8	Very low	38	Very low	144 Å²	144	127.9 Å²	127.9	77%	0.77	71%	0.706	S	S	*	*			trans	-87.4	133.9	176.5	-150.4	-3.4	0	0	0	110.1	S643 Y647	S643-N645 PolarHBondContact O-N 3.02Å; N645-Y647 PolarHBondContact O-N 3.46Å
646	R	29.7	Very low	39.5	Very low	226 Å²	226	129.5 Å²	129.5	85%	0.853	71%	0.709	S	S	*	*	S	Bend	trans	-86.3	74.6	-160.9	-81.4	177.3	-86.4	160.2	-6.5	113.5
647	Y	31.7	Very low	41.3	Very low	224 Å²	224	125.7 Å²	125.7	88%	0.878	69%	0.694	S	S	*	*			trans	-130.2	73.4	167.6	-84.4	-83.3	0	0	0	112.3	N645	N645-Y647 PolarHBondContact O-N 3.46Å
648	T	32.5	Very low	43.1	Very low	149 Å²	149	126.6 Å²	126.6	91%	0.914	69%	0.694	S	S	*	*			trans	-75.7	118.4	169.8	50.4	0	0	0	0	110.6
649	G	36.5	Very low	44.8	Very low	67 Å²	67	126 Å²	126	69%	0.691	69%	0.691	S	S	*	*	S	Bend	trans	154.9	-5.4	163.3	0	0	0	0	0	120.4
650	L	41.2	Very low	46.8	Very low	145 Å²	145	123.8 Å²	123.8	76%	0.759	68%	0.68	S	S	*	*	S	Bend	trans	-134.8	15.4	-167.8	-68.2	173.1	0	0	0	115.9
651	S	44.9	Very low	48.9	Very low	87 Å²	87	122 Å²	122	61%	0.608	66%	0.661	S	S	*	*	S	Bend	trans	-89.8	-24.9	-174.7	-163.6	0	0	0	0	114.9
652	D	49.8	Very low	51	Low	119 Å²	119	118.8 Å²	118.8	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-77.9	-24.6	-171.6	-60.8	-43.1	0	0	0	112.7	T655 N656	D652-T655 PolarHBondContact O-OG1 3.44Å; D652-N656 PolarHBondContact O-N 2.86Å; D652-N656 PolarHBondContact O-ND2 2.99Å
653	D	53.9	Low	52.9	Low	116 Å²	116	116.5 Å²	116.5	62%	0.62	64%	0.639	S	S	*	*	H	α-helix	trans	-71.6	-36	178.5	-61.9	-47.7	0	0	0	111.9	L657	D653-L657 WeakPolarHBondContact O-CB 3.18Å; D653-L657 PolarHBondContact O-N 2.8Å
654	K	57.9	Low	54.3	Low	156 Å²	156	115.4 Å²	115.4	68%	0.678	62%	0.623	S	S	*	*	H	α-helix	trans	-69.8	-35.9	179.1	-73.3	-164.8	173.5	-167.4	0	113	L657 I658	K654-L657 PolarHBondContact O-N 2.88Å; K654-I658 WeakPolarHBondContact O-CG1 3.38Å; K654-I658 PolarHBondContact O-N 2.81Å
655	T	62.3	Low	56.2	Low	82 Å²	82	114.3 Å²	114.3	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-71.2	-39	176.6	52.4	0	0	0	0	111.6	D652 I658 S659	D652-T655 PolarHBondContact O-OG1 3.44Å; T655-I658 PolarHBondContact O-N 3.46Å; T655-S659 WeakPolarHBondContact O-CB 3.45Å; T655-S659 PolarHBondContact O-N 2.63Å
656	N	65.5	Low	57.9	Low	107 Å²	107	112.6 Å²	112.6	57%	0.572	61%	0.61	S	S	*	*	H	α-helix	trans	-63.7	-40.1	170.9	-78.1	-70.1	0	0	0	112.2	D652 S659 S660	D652-N656 PolarHBondContact O-N 2.86Å; D652-N656 PolarHBondContact O-ND2 2.99Å; N656-S659 PolarHBondContact O-N 3.18Å; N656-S660 WeakPolarHBondContact O-CB 3.37Å; N656-S660 PolarHBondContact O-N 3.24Å
657	L	70.9	Confident	59.6	Low	104 Å²	104	112 Å²	112	55%	0.545	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-47.3	175.7	-177.1	62.9	0	0	0	111.9	D653 K654 S659 S660 I661	D653-L657 WeakPolarHBondContact O-CB 3.18Å; D653-L657 PolarHBondContact O-N 2.8Å; K654-L657 PolarHBondContact O-N 2.88Å; L657-S659 PolarHBondContact O-N 3.23Å; L657-S660 WeakPolarHBondContact O-CB 3.33Å; L657-S660 PolarHBondContact O-N 2.88Å; L657-S660 VanDerWaalsContact O-N 3.16Å; L657-I661 HydrophobicContact CD1-CD1 4.24Å; L657-I661 HydrophobicContact CG-CD1 3.96Å; L657-I661 WeakPolarHBondContact O-CG1 3.31Å; L657-I661 PolarHBondContact O-N 3.1Å
658	I	74	Confident	60.9	Low	101 Å²	101	112.3 Å²	112.3	52%	0.518	61%	0.607	S	S	.	*	H	α-helix	trans	-61.1	-44	176.4	-68.9	162.8	0	0	0	111	K654 T655 S660 I661 I662	K654-I658 WeakPolarHBondContact O-CG1 3.38Å; K654-I658 PolarHBondContact O-N 2.81Å; T655-I658 PolarHBondContact O-N 3.46Å; I658-S660 VanDerWaalsContact C-N 3.28Å; I658-S660 PolarHBondContact O-N 3.19Å; I658-I661 PolarHBondContact O-N 2.88Å; I658-I662 HydrophobicContact CG2-CD1 3.88Å; I658-I662 WeakPolarHBondContact O-CG1 3.39Å; I658-I662 PolarHBondContact O-N 3.36Å
659	S	67.2	Low	62.3	Low	78 Å²	78	110.5 Å²	110.5	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-63	-34.9	175.8	-169.5	0	0	0	0	112.5	T655 N656 L657 S663	T655-S659 WeakPolarHBondContact O-CB 3.45Å; T655-S659 PolarHBondContact O-N 2.63Å; N656-S659 PolarHBondContact O-N 3.18Å; L657-S659 PolarHBondContact O-N 3.23Å; S659-S663 WeakPolarHBondContact O-CB 3.48Å; S659-S663 PolarHBondContact O-N 3.42Å
660	S	70.7	Confident	63.7	Low	58 Å²	58	112.7 Å²	112.7	41%	0.406	59%	0.586	S	S	.	*	H	α-helix	trans	-68.1	-45.6	174.4	-166.4	0	0	0	0	111.4	N656 L657 I658 I662 S663 M664	N656-S660 WeakPolarHBondContact O-CB 3.37Å; N656-S660 PolarHBondContact O-N 3.24Å; L657-S660 WeakPolarHBondContact O-CB 3.33Å; L657-S660 PolarHBondContact O-N 2.88Å; L657-S660 VanDerWaalsContact O-N 3.16Å; I658-S660 VanDerWaalsContact C-N 3.28Å; I658-S660 PolarHBondContact O-N 3.19Å; S660-I662 PolarHBondContact O-N 3.15Å; S660-S663 CarbonylContact O-C 3.6Å; S660-S663 PolarHBondContact O-N 3.32Å; S660-S663 VanDerWaalsContact O-N 3.1Å; S660-M664 WeakPolarHBondContact O-CG 3.03Å; S660-M664 PolarHBondContact O-N 2.81Å
661	I	75.6	Confident	64.9	Low	74 Å²	74	110.9 Å²	110.9	38%	0.379	58%	0.577	S	S	.	*	H	α-helix	trans	-60.1	-45	176.8	-69	165	0	0	0	111.1	L657 I658 S663 M664 L665	L657-I661 HydrophobicContact CD1-CD1 4.24Å; L657-I661 HydrophobicContact CG-CD1 3.96Å; L657-I661 WeakPolarHBondContact O-CG1 3.31Å; L657-I661 PolarHBondContact O-N 3.1Å; I658-I661 PolarHBondContact O-N 2.88Å; I661-S663 VanDerWaalsContact C-N 3.33Å; I661-S663 PolarHBondContact O-N 2.84Å; I661-M664 HydrophobicContact CB-CE 4.46Å; I661-M664 HydrophobicContact CG1-CE 3.95Å; I661-M664 PolarHBondContact O-N 2.99Å; I661-L665 HydrophobicContact CG2-CD1 4.05Å; I661-L665 HydrophobicContact CG2-CG 4.49Å; I661-L665 WeakPolarHBondContact O-CG 3.32Å; I661-L665 PolarHBondContact O-N 3.44Å
662	I	74.8	Confident	66.1	Low	99 Å²	99	112.4 Å²	112.4	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-61.6	-41.8	174.4	-66.4	167	0	0	0	110.6	I658 S660 M664 L665 C666	I658-I662 HydrophobicContact CG2-CD1 3.88Å; I658-I662 WeakPolarHBondContact O-CG1 3.39Å; I658-I662 PolarHBondContact O-N 3.36Å; S660-I662 PolarHBondContact O-N 3.15Å; I662-M664 VanDerWaalsContact C-N 3.33Å; I662-M664 PolarHBondContact O-N 2.8Å; I662-L665 PolarHBondContact O-N 3.46Å; I662-C666 PolarHBondContact O-N 2.69Å; I662-C666 PolarHBondContact O-SG 3.45Å
663	S	71.6	Confident	67.1	Low	59 Å²	59	111.9 Å²	111.9	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-68	-29.4	176.5	-163.4	0	0	0	0	113.6	S659 S660 I661 R667	S659-S663 WeakPolarHBondContact O-CB 3.48Å; S659-S663 PolarHBondContact O-N 3.42Å; S660-S663 CarbonylContact O-C 3.6Å; S660-S663 PolarHBondContact O-N 3.32Å; S660-S663 VanDerWaalsContact O-N 3.1Å; I661-S663 VanDerWaalsContact C-N 3.33Å; I661-S663 PolarHBondContact O-N 2.84Å; S663-R667 VanDerWaalsContact O-CG 3.3Å; S663-R667 WeakPolarHBondContact O-CG 3.27Å; S663-R667 PolarHBondContact O-N 3.46Å
664	M	62.9	Low	68	Low	86 Å²	86	111.7 Å²	111.7	42%	0.424	57%	0.568	S	S	.	*	H	α-helix	trans	-72.8	-42.8	172.1	-71.1	-172.8	-66	0	0	111.5	S660 I661 I662 C666 R667 R668	S660-M664 WeakPolarHBondContact O-CG 3.03Å; S660-M664 PolarHBondContact O-N 2.81Å; I661-M664 HydrophobicContact CB-CE 4.46Å; I661-M664 HydrophobicContact CG1-CE 3.95Å; I661-M664 PolarHBondContact O-N 2.99Å; I662-M664 VanDerWaalsContact C-N 3.33Å; I662-M664 PolarHBondContact O-N 2.8Å; M664-C666 VanDerWaalsContact C-N 3.26Å; M664-C666 PolarHBondContact O-N 3.4Å; M664-R667 PolarHBondContact O-N 3.32Å; M664-R668 PolarHBondContact O-N 3.21Å; M664-R668 VanDerWaalsContact O-N 3.11Å
665	L	72.8	Confident	68.7	Low	119 Å²	119	108.5 Å²	108.5	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-63.6	-28.5	174.9	-71.4	170.4	0	0	0	112.9	I661 I662 R667	I661-L665 HydrophobicContact CG2-CD1 4.05Å; I661-L665 HydrophobicContact CG2-CG 4.49Å; I661-L665 WeakPolarHBondContact O-CG 3.32Å; I661-L665 PolarHBondContact O-N 3.44Å; I662-L665 PolarHBondContact O-N 3.46Å; L665-R667 VanDerWaalsContact C-N 3.33Å
666	C	69.2	Low	69.2	Low	108 Å²	108	110.5 Å²	110.5	73%	0.73	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	4.8	171.2	-65.5	0	0	0	0	114.6	I662 M664	I662-C666 PolarHBondContact O-N 2.69Å; I662-C666 PolarHBondContact O-SG 3.45Å; M664-C666 VanDerWaalsContact C-N 3.26Å; M664-C666 PolarHBondContact O-N 3.4Å
667	R	66.3	Low	69.6	Low	214 Å²	214	110.8 Å²	110.8	81%	0.808	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-13.4	175.3	-78.6	179.6	-179.5	-141.9	3.4	114	S663 M664 L665	S663-R667 VanDerWaalsContact O-CG 3.3Å; S663-R667 WeakPolarHBondContact O-CG 3.27Å; S663-R667 PolarHBondContact O-N 3.46Å; M664-R667 PolarHBondContact O-N 3.32Å; L665-R667 VanDerWaalsContact C-N 3.33Å
668	R	58.7	Low	69.4	Low	230 Å²	230	111.5 Å²	111.5	87%	0.868	57%	0.566	S	S	*	*			trans	-90.1	0	177.6	-151.7	179.2	-159.3	-178	8	110.9	Y100 M664	Y100-R668 PolarHBondContact OH-NH2 2.66Å; M664-R668 PolarHBondContact O-N 3.21Å; M664-R668 VanDerWaalsContact O-N 3.11Å

Retrieved 668 of 668 residues in 217.3 ms (Link to these results)

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