A0A3Q0KG66_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KG66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 626 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	29.6	Very low	29	Very low	244 Å²	244	170.5 Å²	170.5	100%	1.202	89%	0.893	S	S	*	*				0	104.7	0	-68.4	173.1	166.3	0	0	105.6
2	I	33.3	Very low	28.8	Very low	168 Å²	168	165.8 Å²	165.8	86%	0.862	89%	0.885	S	S	*	*			cis	-134.4	129.7	30.5	-73.1	158.2	0	0	0	106.9
3	V	25.5	Very low	28.6	Very low	143 Å²	143	163.4 Å²	163.4	87%	0.867	89%	0.887	S	S	*	*			trans	-123.1	112.9	170.6	173.8	0	0	0	0	105.6
4	S	28.2	Very low	28.3	Very low	105 Å²	105	161.1 Å²	161.1	73%	0.734	89%	0.887	S	S	*	*			trans	-176.2	161.3	165.9	-130.6	0	0	0	0	111.9
5	P	38	Very low	28.3	Very low	109 Å²	109	159.9 Å²	159.9	71%	0.708	89%	0.886	S	S	*	*				-138	143.1	-97.7	34	-12.7	0	0	0	114.1
6	C	28.4	Very low	28.4	Very low	140 Å²	140	156 Å²	156	95%	0.946	87%	0.873	S	S	*	*			trans	-146.1	28	170.2	-104.2	0	0	0	0	115.7
7	C	27.3	Very low	28.4	Very low	138 Å²	138	154.2 Å²	154.2	93%	0.932	86%	0.861	S	S	*	*			trans	-114.9	30.6	-176.8	-126.1	0	0	0	0	115.2
8	R	26.4	Very low	28.4	Very low	242 Å²	242	158.1 Å²	158.1	91%	0.913	86%	0.861	S	S	*	*			trans	-127.4	16.5	-174.8	-126.2	-178.2	-161.6	-174.4	5.1	118.9
9	I	27.4	Very low	28.4	Very low	162 Å²	162	153.7 Å²	153.7	83%	0.831	86%	0.856	S	S	*	*	S	Bend	trans	-130.3	95.2	171.6	-54.3	176.8	0	0	0	108.3
10	I	29.8	Very low	28.8	Very low	169 Å²	169	152 Å²	152	87%	0.867	85%	0.85	S	S	*	*			trans	173.1	75.5	146.2	-77.7	146	0	0	0	104.9
11	R	25.6	Very low	28.9	Very low	255 Å²	255	152.4 Å²	152.4	96%	0.962	84%	0.843	S	S	*	*	S	Bend	trans	-137.8	22.2	169.9	-133	-175.3	-167.4	-169.7	4.4	114.1
12	S	26.7	Very low	29	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	82%	0.821	S	S	*	*	S	Bend	trans	-140.8	25.7	-172.9	-163.6	0	0	0	0	117.7
13	C	25.8	Very low	29.1	Very low	135 Å²	135	144.9 Å²	144.9	91%	0.912	81%	0.811	S	S	*	*			trans	-131.3	44.1	170	-82.9	0	0	0	0	113.2
14	C	24.3	Very low	29.3	Very low	132 Å²	132	147.7 Å²	147.7	89%	0.892	81%	0.806	S	S	*	*			trans	-108.2	70.4	167.1	-89	0	0	0	0	110.2
15	V	28.9	Very low	29.6	Very low	142 Å²	142	146.8 Å²	146.8	86%	0.861	79%	0.792	S	S	*	*			trans	-143.9	125.2	160.3	-177.2	0	0	0	0	108.9
16	S	28.6	Very low	29.6	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	78%	0.784	S	S	*	*			trans	93.7	107.5	160.7	-156.6	0	0	0	0	119
17	N	28.3	Very low	30.1	Very low	126 Å²	126	142 Å²	142	67%	0.674	77%	0.772	S	S	*	*			trans	82.8	108.2	138.7	-82.9	-26.9	0	0	0	122
18	R	29.3	Very low	30.5	Very low	224 Å²	224	141.1 Å²	141.1	85%	0.845	76%	0.757	S	S	*	*			trans	71.9	110	132.1	-64.5	-178	-171.8	-167.8	0.3	117.4
19	G	29	Very low	30.9	Very low	75 Å²	75	137.4 Å²	137.4	77%	0.773	74%	0.744	S	S	*	*			trans	-64.4	137.6	173.6	0	0	0	0	0	113
20	T	36.4	Very low	31.5	Very low	119 Å²	119	135 Å²	135	73%	0.73	74%	0.739	S	S	*	*			trans	-164.7	7.4	146.4	21.6	0	0	0	0	112.6
21	F	31.1	Very low	31.6	Very low	160 Å²	160	131.9 Å²	131.9	70%	0.702	73%	0.733	S	S	*	*	S	Bend	trans	-98.5	-30.1	-175.3	-140.2	-99	0	0	0	114.6	L25	F21-L25 HydrophobicContact CD1-CD1 3.9Å; F21-L25 HydrophobicContact CE1-CD1 3.97Å
22	H	30	Very low	31.8	Very low	163 Å²	163	129.9 Å²	129.9	76%	0.755	73%	0.727	S	S	*	*	H	α-helix	trans	-83.1	-19.1	-174.6	-86.8	39.9	0	0	0	115.1	A26	H22-A26 PolarHBondContact O-N 3.48Å
23	S	36.3	Very low	32	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	72%	0.72	S	S	*	*	H	α-helix	trans	-75.7	-25.3	176.2	55.9	0	0	0	0	113.3
24	R	30.4	Very low	32.1	Very low	202 Å²	202	134.1 Å²	134.1	76%	0.762	72%	0.72	S	S	*	*	H	α-helix	trans	-81.6	-33.2	176.6	-77	-174.8	177.6	176.2	-0.2	113.3	A27	R24-A27 PolarHBondContact O-N 3.37Å
25	L	33.1	Very low	32.4	Very low	86 Å²	86	134.2 Å²	134.2	45%	0.45	71%	0.71	S	S	.	*	H	α-helix	trans	-73.6	-33.3	179.1	-87.6	157.4	0	0	0	113	F21 A27 L28 Y29	F21-L25 HydrophobicContact CD1-CD1 3.9Å; F21-L25 HydrophobicContact CE1-CD1 3.97Å; L25-A27 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 2.93Å; L25-Y29 PolarHBondContact O-N 3.42Å
26	A	38.4	Very low	32.5	Very low	63 Å²	63	132.8 Å²	132.8	52%	0.521	70%	0.704	S	S	.	*	H	α-helix	trans	-66.1	-24	176	0	0	0	0	0	113.5	H22	H22-A26 PolarHBondContact O-N 3.48Å
27	A	39.9	Very low	32.5	Very low	84 Å²	84	135.6 Å²	135.6	69%	0.694	71%	0.711	S	S	*	*	H	α-helix	trans	-81	-20.7	177	0	0	0	0	0	113.4	R24 L25	R24-A27 PolarHBondContact O-N 3.37Å; L25-A27 PolarHBondContact O-N 2.88Å
28	L	34.4	Very low	32.5	Very low	121 Å²	121	136.5 Å²	136.5	63%	0.634	72%	0.716	S	S	*	*	H	α-helix	trans	-99.5	-21.9	-172.9	-74.1	164.9	0	0	0	113.8	L25	L25-L28 PolarHBondContact O-N 2.93Å
29	Y	36.2	Very low	32.4	Very low	163 Å²	163	133.5 Å²	133.5	64%	0.639	71%	0.711	S	S	*	*			trans	-146.4	79	-178.2	-60.2	-80.6	0	0	0	112.7	L25 S31	L25-Y29 PolarHBondContact O-N 3.42Å; Y29-S31 PolarHBondContact O-N 3Å
30	P	39.7	Very low	32.3	Very low	111 Å²	111	134.8 Å²	134.8	72%	0.721	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-70.4	-10.1	-178.7	24.4	-28.6	0	0	0	114.1
31	S	31.7	Very low	31.7	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-90	-0.1	-168.1	-45.8	0	0	0	0	116.3	Y29	Y29-S31 PolarHBondContact O-N 3Å
32	Y	30.3	Very low	31.3	Very low	213 Å²	213	138.7 Å²	138.7	84%	0.835	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-121.3	11.4	-172.7	-87	-80.2	0	0	0	117.1
33	I	30.5	Very low	30.9	Very low	129 Å²	129	139.9 Å²	139.9	66%	0.662	72%	0.724	S	S	*	*			trans	-116.9	87.4	175.2	-51.2	178.7	0	0	0	109.9	I35	I33-I35 HydrophobicContact CG2-CD1 4.42Å; I33-I35 HydrophobicContact CG2-CG1 3.69Å; I33-I35 PolarHBondContact O-N 3.49Å; I33-I35 VanDerWaalsContact O-N 3.1Å
34	K	27.9	Very low	30.3	Very low	209 Å²	209	141.4 Å²	141.4	91%	0.909	73%	0.73	S	S	*	*			trans	-71.5	95.6	160.4	-81.6	-177.2	177.5	177.1	0	107.8	P36	K34-P36 VanDerWaalsContact O-CD 3.25Å; K34-P36 WeakPolarHBondContact O-CD 3.37Å
35	I	30.5	Very low	30	Very low	133 Å²	133	138.2 Å²	138.2	68%	0.682	73%	0.733	S	S	*	*			trans	-75.3	113.1	164.8	-54.4	178.3	0	0	0	106.2	I33 N37	I33-I35 HydrophobicContact CG2-CD1 4.42Å; I33-I35 HydrophobicContact CG2-CG1 3.69Å; I33-I35 PolarHBondContact O-N 3.49Å; I33-I35 VanDerWaalsContact O-N 3.1Å; I35-N37 PolarHBondContact O-N 2.96Å
36	P	30.5	Very low	29.6	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	75%	0.753	S	S	*	*			trans	-67.7	119.8	175.5	24.9	-26.5	0	0	0	108.5	K34 N38	K34-P36 VanDerWaalsContact O-CD 3.25Å; K34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-N38 VanDerWaalsContact C-N 3.35Å; P36-N38 PolarHBondContact O-N 3.24Å
37	N	28.4	Very low	29.1	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	77%	0.768	S	S	*	*	S	Bend	trans	-58	93.8	170.6	-78.3	-27	0	0	0	109.3	I35	I35-N37 PolarHBondContact O-N 2.96Å
38	N	28.3	Very low	28.5	Very low	145 Å²	145	153.8 Å²	153.8	78%	0.775	78%	0.778	S	S	*	*	S	Bend	trans	-167.4	123	146.5	-94.4	-21	0	0	0	110.3	P36	P36-N38 VanDerWaalsContact C-N 3.35Å; P36-N38 PolarHBondContact O-N 3.24Å
39	H	27.8	Very low	28.1	Very low	161 Å²	161	157.7 Å²	157.7	75%	0.745	79%	0.79	S	S	*	*			trans	71.1	68.8	171.9	-56.8	-67.4	0	0	0	118.4	R41	H39-R41 PolarHBondContact O-N 3.43Å
40	A	26.7	Very low	27.7	Very low	102 Å²	102	158 Å²	158	84%	0.843	80%	0.801	S	S	*	*			trans	-70.4	92.5	150.6	0	0	0	0	0	109.5	I42	A40-I42 PolarHBondContact O-N 3.24Å
41	R	23.2	Very low	27	Very low	210 Å²	210	159.5 Å²	159.5	79%	0.792	80%	0.803	S	S	*	*			trans	-78.8	104.4	167	-77.9	-177	176.3	169.8	-0.1	108.7	H39 F43	H39-R41 PolarHBondContact O-N 3.43Å; R41-F43 PolarHBondContact O-N 3.4Å
42	I	23.2	Very low	26.9	Very low	151 Å²	151	166.4 Å²	166.4	77%	0.774	81%	0.813	S	S	*	*			trans	-66.8	109.8	172.9	-61.3	172	0	0	0	108.2	A40 V44	A40-I42 PolarHBondContact O-N 3.24Å; I42-V44 HydrophobicContact CG2-CG2 4.24Å; I42-V44 PolarHBondContact O-N 3.39Å
43	F	21.7	Very low	26.9	Very low	187 Å²	187	161.6 Å²	161.6	82%	0.82	81%	0.808	S	S	*	*			trans	-77.2	99.2	170	-85.3	-90.3	0	0	0	109.2	R41 T45	R41-F43 PolarHBondContact O-N 3.4Å; F43-T45 PolarHBondContact O-N 3.29Å
44	V	24.7	Very low	26.7	Very low	125 Å²	125	160.3 Å²	160.3	76%	0.758	81%	0.81	S	S	*	*			trans	-73.8	110.1	167.7	-179.9	0	0	0	0	108.1	I42 K46	I42-V44 HydrophobicContact CG2-CG2 4.24Å; I42-V44 PolarHBondContact O-N 3.39Å; V44-K46 PolarHBondContact O-N 3.44Å
45	T	23.8	Very low	26.7	Very low	134 Å²	134	155.8 Å²	155.8	82%	0.822	81%	0.805	S	S	*	*			trans	-71.3	113.6	172.5	42.4	0	0	0	0	109.5	F43 S47	F43-T45 PolarHBondContact O-N 3.29Å; T45-S47 PolarHBondContact O-N 3.1Å; T45-S47 VanDerWaalsContact O-N 3.14Å
46	K	24.4	Very low	26.7	Very low	204 Å²	204	154.3 Å²	154.3	89%	0.887	81%	0.806	S	S	*	*			trans	-63.7	109.4	171.8	-87	177.8	173.7	172.5	0	109.5	V44	V44-K46 PolarHBondContact O-N 3.44Å
47	S	27.7	Very low	26.7	Very low	120 Å²	120	159.4 Å²	159.4	84%	0.839	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.1	137.6	165.8	-164.5	0	0	0	0	110	T45 K49	T45-S47 PolarHBondContact O-N 3.1Å; T45-S47 VanDerWaalsContact O-N 3.14Å; S47-K49 PolarHBondContact O-N 2.85Å
48	R	25.9	Very low	26.8	Very low	237 Å²	237	158.6 Å²	158.6	89%	0.894	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61.4	125.1	-172.7	-81.6	176.3	170.8	170.5	-3.9	111.5
49	K	26.6	Very low	27	Very low	202 Å²	202	158.5 Å²	158.5	88%	0.878	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-62.1	127.2	164.6	-79	-177.7	171.9	-175.7	0	110	S47	S47-K49 PolarHBondContact O-N 2.85Å
50	I	28.4	Very low	27.1	Very low	169 Å²	169	155.6 Å²	155.6	87%	0.867	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-91.9	124.5	160	-67.7	172.7	0	0	0	107.1
51	N	25.8	Very low	27.9	Very low	144 Å²	144	156 Å²	156	77%	0.77	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.7	138.2	174.3	-82.8	-28.6	0	0	0	111.6
52	R	28.5	Very low	28.4	Very low	249 Å²	249	154.5 Å²	154.5	94%	0.94	79%	0.791	S	S	*	*				168	162.8	120.5	-93.4	-168.3	-179.5	-172.6	2.3	113.2
53	P	29.9	Very low	28.8	Very low	113 Å²	113	154.6 Å²	154.6	73%	0.734	79%	0.788	S	S	*	*				-118.5	-169.3	-128.4	45.1	-36.6	0	0	0	116.6
54	S	27.7	Very low	29.5	Very low	102 Å²	102	148.9 Å²	148.9	71%	0.713	78%	0.776	S	S	*	*			trans	87.5	100.2	153.3	65.8	0	0	0	0	120.9
55	S	26.2	Very low	29.9	Very low	114 Å²	114	154.1 Å²	154.1	80%	0.797	78%	0.782	S	S	*	*				44.7	97.6	129.9	63	0	0	0	0	120.4
56	S	30.8	Very low	30.4	Very low	102 Å²	102	156.5 Å²	156.5	71%	0.713	78%	0.783	S	S	*	*				-146.8	127.3	129	50.9	0	0	0	0	108	I58	S56-I58 VanDerWaalsContact C-N 3.35Å; S56-I58 PolarHBondContact O-N 3.06Å
57	F	30.2	Very low	30.7	Very low	218 Å²	218	156.4 Å²	156.4	96%	0.956	78%	0.778	S	S	*	*			trans	-67.7	92.9	175.3	-96	-100.4	0	0	0	108.2
58	I	31.6	Very low	30.9	Very low	142 Å²	142	158 Å²	158	73%	0.728	78%	0.777	S	S	*	*			trans	-96.4	115.8	161.4	-61.9	177.5	0	0	0	105.2	S56 D60	S56-I58 VanDerWaalsContact C-N 3.35Å; S56-I58 PolarHBondContact O-N 3.06Å; I58-D60 VanDerWaalsContact C-N 3.31Å; I58-D60 PolarHBondContact O-N 3.35Å
59	I	32.1	Very low	31.5	Very low	142 Å²	142	151.5 Å²	151.5	73%	0.728	77%	0.767	S	S	*	*			trans	-59.6	99.4	170.5	-64.2	169.8	0	0	0	106.5	T61	I59-T61 PolarHBondContact O-N 3.35Å
60	D	30.7	Very low	31.9	Very low	101 Å²	101	147.1 Å²	147.1	54%	0.54	75%	0.753	S	S	.	*			trans	-71.5	101.9	174.2	-161.9	-15.8	0	0	0	107.4	I58 K62 E63	I58-D60 VanDerWaalsContact C-N 3.31Å; I58-D60 PolarHBondContact O-N 3.35Å; D60-K62 PolarHBondContact O-N 3.18Å; D60-K62 PolarHBondContact OD1-N 3.12Å; D60-E63 PolarHBondContact O-N 3.27Å; D60-E63 VanDerWaalsContact O-N 3.13Å
61	T	42.8	Very low	32.6	Very low	110 Å²	110	144.3 Å²	144.3	68%	0.675	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	0.8	-177.7	47.7	0	0	0	0	113.5	I59	I59-T61 PolarHBondContact O-N 3.35Å
62	K	33.1	Very low	33.6	Very low	179 Å²	179	141.1 Å²	141.1	78%	0.778	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-24.9	171.1	-74.7	-177.3	176.5	176	0	114.3	D60	D60-K62 PolarHBondContact O-N 3.18Å; D60-K62 PolarHBondContact OD1-N 3.12Å
63	E	33.1	Very low	34.6	Very low	153 Å²	153	133 Å²	133	72%	0.715	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-91.3	-8.4	177.8	-71.1	-169.4	162.1	0	0	113.7	D60 R65	D60-E63 PolarHBondContact O-N 3.27Å; D60-E63 VanDerWaalsContact O-N 3.13Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 3.42Å
64	A	34.5	Very low	35.7	Very low	67 Å²	67	132.3 Å²	132.3	55%	0.554	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-74.9	-10.6	176.2	0	0	0	0	0	114.1	Q66	A64-Q66 VanDerWaalsContact C-N 3.28Å; A64-Q66 PolarHBondContact O-N 2.92Å
65	R	34.7	Very low	36.8	Very low	235 Å²	235	130.6 Å²	130.6	89%	0.887	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-79.7	-3.9	179.1	-81.1	-174.2	174.6	-176.8	-1.4	114.8	E63	E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 3.42Å
66	Q	33.9	Very low	38.1	Very low	183 Å²	183	127.9 Å²	127.9	86%	0.855	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-118.1	10.5	-177.7	-88.2	179.7	-23.6	0	0	115	A64	A64-Q66 VanDerWaalsContact C-N 3.28Å; A64-Q66 PolarHBondContact O-N 2.92Å
67	R	31.3	Very low	39.5	Very low	203 Å²	203	127.3 Å²	127.3	77%	0.766	67%	0.668	S	S	*	*			trans	-98.5	103.1	163.2	-62.6	-172.4	-153.4	178.5	6.9	107.6	S69	R67-S69 PolarHBondContact O-N 3.03Å
68	N	32	Very low	40.9	Very low	154 Å²	154	121.2 Å²	121.2	82%	0.824	64%	0.644	S	S	*	*			trans	-52.4	102.1	156.4	-73.2	-23	0	0	0	105.5	D70	N68-D70 VanDerWaalsContact C-N 3.3Å; N68-D70 PolarHBondContact O-N 3.39Å
69	S	38.5	Very low	42.2	Very low	99 Å²	99	119.3 Å²	119.3	69%	0.692	64%	0.636	S	S	*	*			trans	-71.2	95.2	177.5	53.9	0	0	0	0	106.4	R67 S71	R67-S69 PolarHBondContact O-N 3.03Å; S69-S71 PolarHBondContact O-N 3.35Å
70	D	33.6	Very low	43.8	Very low	110 Å²	110	119.3 Å²	119.3	59%	0.588	63%	0.633	S	S	*	*			trans	-53	123.5	163.5	-72.4	-30.6	0	0	0	107.1	N68 S72 T73	N68-D70 VanDerWaalsContact C-N 3.3Å; N68-D70 PolarHBondContact O-N 3.39Å; D70-S72 PolarHBondContact O-N 3.37Å; D70-T73 PolarHBondContact O-N 2.79Å; D70-T73 VanDerWaalsContact O-N 3.1Å; D70-T73 PolarHBondContact O-OG1 2.92Å
71	S	44.3	Very low	45.2	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	63%	0.632	S	S	*	*	H	α-helix	trans	-57.3	-15.7	-178.3	54.2	0	0	0	0	113.2	S69	S69-S71 PolarHBondContact O-N 3.35Å
72	S	45.9	Very low	46	Very low	77 Å²	77	115.6 Å²	115.6	54%	0.538	61%	0.608	S	S	.	*	H	α-helix	trans	-68.1	-29.5	176.9	55.8	0	0	0	0	113.8	D70 S75	D70-S72 PolarHBondContact O-N 3.37Å; S72-S75 PolarHBondContact O-OG 3.31Å
73	T	50.4	Low	47.3	Very low	79 Å²	79	115.4 Å²	115.4	49%	0.485	61%	0.607	S	S	.	*	H	α-helix	trans	-76.4	-29.3	-177	-33.2	0	0	0	0	112.2	D70 S76	D70-T73 PolarHBondContact O-N 2.79Å; D70-T73 VanDerWaalsContact O-N 3.1Å; D70-T73 PolarHBondContact O-OG1 2.92Å; T73-S76 PolarHBondContact O-OG 2.9Å
74	V	52.3	Low	48.8	Very low	99 Å²	99	116 Å²	116	60%	0.6	61%	0.614	S	S	*	*	H	α-helix	trans	-75.3	-32.4	-177.5	-177	0	0	0	0	111.7
75	S	50.4	Low	50.2	Low	65 Å²	65	116.9 Å²	116.9	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-70.6	-36.7	177.2	44.9	0	0	0	0	112.9	S72 D77 L78 D79	S72-S75 PolarHBondContact O-OG 3.31Å; S75-D77 PolarHBondContact O-N 3.48Å; S75-L78 PolarHBondContact O-N 2.9Å; S75-D79 PolarHBondContact O-N 2.82Å
76	S	54.5	Low	52	Low	58 Å²	58	109.9 Å²	109.9	41%	0.406	59%	0.591	S	S	.	*	H	α-helix	trans	-65.6	-41	-178.6	54.4	0	0	0	0	112.6	T73 L78 D79 E80	T73-S76 PolarHBondContact O-OG 2.9Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.9Å; S76-D79 PolarHBondContact O-N 3.42Å; S76-E80 WeakPolarHBondContact O-CB 3.35Å; S76-E80 PolarHBondContact O-N 3.41Å
77	D	60.5	Low	53.6	Low	90 Å²	90	106.3 Å²	106.3	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-68.8	-35.3	-176.8	-67.4	0.3	0	0	0	111.5	S75 I81	S75-D77 PolarHBondContact O-N 3.48Å; D77-I81 WeakPolarHBondContact O-CD1 3.23Å; D77-I81 VanDerWaalsContact O-CG1 3.23Å; D77-I81 WeakPolarHBondContact O-CG1 3.45Å; D77-I81 PolarHBondContact O-N 3.42Å
78	L	59.8	Low	55.5	Low	89 Å²	89	100.2 Å²	100.2	47%	0.466	57%	0.572	S	S	.	*	H	α-helix	trans	-72.2	-41.6	178.7	-151.9	81	0	0	0	111.5	S75 S76 E80 I81 L82	S75-L78 PolarHBondContact O-N 2.9Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.36Å; L78-I81 PolarHBondContact O-N 3.04Å; L78-L82 HydrophobicContact CD2-CD1 4.41Å; L78-L82 HydrophobicContact CG-CD1 4.2Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CD1 3.38Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.49Å; L78-L82 VanDerWaalsContact O-N 3.16Å
79	D	57.1	Low	57.3	Low	103 Å²	103	94 Å²	94	55%	0.551	54%	0.542	S	S	*	.	H	α-helix	trans	-66.5	-34.3	177.8	-76.2	-22.7	0	0	0	112.2	S75 S76 K83	S75-D79 PolarHBondContact O-N 2.82Å; S76-D79 PolarHBondContact O-N 3.42Å; D79-K83 PolarHBondContact O-N 3.33Å
80	E	66.2	Low	58.6	Low	142 Å²	142	92.8 Å²	92.8	66%	0.664	53%	0.526	S	S	*	.	H	α-helix	trans	-69.2	-39.4	176.9	-167.3	168.7	-165.6	0	0	112.1	S76 L78 L82	S76-E80 WeakPolarHBondContact O-CB 3.35Å; S76-E80 PolarHBondContact O-N 3.41Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.36Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.91Å
81	I	59.8	Low	60.6	Low	102 Å²	102	93.2 Å²	93.2	52%	0.523	53%	0.527	S	S	.	.	H	α-helix	trans	-69.8	-30.5	177.4	-66.4	166.5	0	0	0	111.8	D77 L78	D77-I81 WeakPolarHBondContact O-CD1 3.23Å; D77-I81 VanDerWaalsContact O-CG1 3.23Å; D77-I81 WeakPolarHBondContact O-CG1 3.45Å; D77-I81 PolarHBondContact O-N 3.42Å; L78-I81 PolarHBondContact O-N 3.04Å
82	L	60.4	Low	62	Low	31 Å²	31	97.3 Å²	97.3	16%	0.162	53%	0.526	C	S	.	.	H	α-helix	trans	-81.9	-17.8	-176	-71.5	167.5	0	0	0	114	L78 E80 D84 Q85 Q90	L78-L82 HydrophobicContact CD2-CD1 4.41Å; L78-L82 HydrophobicContact CG-CD1 4.2Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CD1 3.38Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.49Å; L78-L82 VanDerWaalsContact O-N 3.16Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.91Å; L82-D84 PolarHBondContact O-N 3.47Å; L82-Q85 PolarHBondContact O-N 3.16Å; L82-Q90 HydrophobicContact CD2-CB 3.79Å; L82-Q90 HydrophobicContact CD2-CG 3.64Å; L82-Q90 PolarHBondContact O-NE2 3.39Å
83	K	60.7	Low	63.3	Low	174 Å²	174	96.9 Å²	96.9	76%	0.757	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.9	-172.2	-94.9	178.1	-179.9	173.9	0	115.2	D79	D79-K83 PolarHBondContact O-N 3.33Å
84	D	64.6	Low	64.5	Low	165 Å²	165	96.5 Å²	96.5	88%	0.882	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	13.6	-174	-88.4	4.1	0	0	0	113.9	L82	L82-D84 PolarHBondContact O-N 3.47Å
85	Q	63	Low	65.6	Low	86 Å²	86	94.6 Å²	94.6	40%	0.402	50%	0.501	S	S	.	.	S	Bend	trans	-115.8	137.7	-174.9	-63	-137.4	-4	0	0	113.5	L82 A89 Q90	L82-Q85 PolarHBondContact O-N 3.16Å; Q85-A89 HydrophobicContact CB-CB 4.14Å; Q85-Q90 HydrophobicContact CB-CG 4.26Å
86	T	73.6	Confident	66.6	Low	89 Å²	89	94.3 Å²	94.3	55%	0.546	50%	0.503	S	S	.	.			trans	-57.3	150.7	175.4	57.3	0	0	0	0	111.4	S88 A89 Q90	T86-S88 PolarHBondContact O-N 3.47Å; T86-S88 PolarHBondContact OG1-OG 3.42Å; T86-A89 WeakPolarHBondContact O-CA 3.43Å; T86-A89 WeakPolarHBondContact O-CB 3.39Å; T86-A89 PolarHBondContact O-N 3.49Å; T86-Q90 PolarHBondContact O-N 3.41Å; T86-Q90 VanDerWaalsContact O-N 3.1Å
87	P	66.9	Low	67.6	Low	107 Å²	107	99.4 Å²	99.4	70%	0.695	51%	0.514	S	S	*	.	H	α-helix	trans	-55.3	-32.7	-174.9	-26.7	33.5	0	0	0	114.2	L91	P87-L91 PolarHBondContact O-N 3.48Å
88	S	71	Confident	68.2	Low	76 Å²	76	101.8 Å²	101.8	53%	0.531	52%	0.516	S	S	.	.	H	α-helix	trans	-71.3	-30.5	176.4	54.5	0	0	0	0	113.2	T86 R92	T86-S88 PolarHBondContact O-N 3.47Å; T86-S88 PolarHBondContact OG1-OG 3.42Å; S88-R92 WeakPolarHBondContact O-CG 3.49Å; S88-R92 PolarHBondContact O-N 3.5Å
89	A	70.2	Confident	68.7	Low	24 Å²	24	105.9 Å²	105.9	20%	0.198	53%	0.526	C	S	.	.	H	α-helix	trans	-76.5	-37.8	175.7	0	0	0	0	0	111.8	Q85 T86 L91 R92 L93	Q85-A89 HydrophobicContact CB-CB 4.14Å; T86-A89 WeakPolarHBondContact O-CA 3.43Å; T86-A89 WeakPolarHBondContact O-CB 3.39Å; T86-A89 PolarHBondContact O-N 3.49Å; A89-L91 PolarHBondContact O-N 3.3Å; A89-R92 PolarHBondContact O-N 3.33Å; A89-L93 PolarHBondContact O-N 3.38Å
90	Q	66	Low	69.2	Low	72 Å²	72	102.4 Å²	102.4	34%	0.336	52%	0.515	S	S	.	.	H	α-helix	trans	-57.9	-45.9	173.4	-64.9	-174.9	-20.5	0	0	111.7	L82 Q85 T86 R92 L93 V94	L82-Q90 HydrophobicContact CD2-CB 3.79Å; L82-Q90 HydrophobicContact CD2-CG 3.64Å; L82-Q90 PolarHBondContact O-NE2 3.39Å; Q85-Q90 HydrophobicContact CB-CG 4.26Å; T86-Q90 PolarHBondContact O-N 3.41Å; T86-Q90 VanDerWaalsContact O-N 3.1Å; Q90-R92 VanDerWaalsContact C-N 3.35Å; Q90-R92 PolarHBondContact O-N 3.39Å; Q90-L93 WeakPolarHBondContact O-CB 3.42Å; Q90-L93 PolarHBondContact O-N 3.47Å; Q90-V94 WeakPolarHBondContact O-CG2 3.48Å; Q90-V94 PolarHBondContact O-N 3.26Å
91	L	74.3	Confident	69.3	Low	120 Å²	120	102.2 Å²	102.2	63%	0.628	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-41.6	178.3	-155.2	91.6	0	0	0	112	P87 A89 L93 V94 D95	P87-L91 PolarHBondContact O-N 3.48Å; A89-L91 PolarHBondContact O-N 3.3Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.49Å; L91-V94 PolarHBondContact O-N 3.37Å; L91-D95 PolarHBondContact O-N 3.5Å
92	R	75.3	Confident	69.3	Low	195 Å²	195	102.8 Å²	102.8	74%	0.736	51%	0.512	S	S	*	.	H	α-helix	trans	-64.5	-37.8	176.7	-73.9	177.2	-177.6	-178.6	2.1	112.3	S88 A89 Q90 A96	S88-R92 WeakPolarHBondContact O-CG 3.49Å; S88-R92 PolarHBondContact O-N 3.5Å; A89-R92 PolarHBondContact O-N 3.33Å; Q90-R92 VanDerWaalsContact C-N 3.35Å; Q90-R92 PolarHBondContact O-N 3.39Å; R92-A96 VanDerWaalsContact O-CB 3.23Å; R92-A96 WeakPolarHBondContact O-CB 3.49Å; R92-A96 PolarHBondContact O-N 3.19Å
93	L	73	Confident	69.1	Low	69 Å²	69	104.7 Å²	104.7	36%	0.361	53%	0.528	S	S	.	.	H	α-helix	trans	-64.8	-45.5	176.4	-108.2	155.9	0	0	0	111.5	A89 Q90 L91 A96 Y97	A89-L93 PolarHBondContact O-N 3.38Å; Q90-L93 WeakPolarHBondContact O-CB 3.42Å; Q90-L93 PolarHBondContact O-N 3.47Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.49Å; L93-A96 PolarHBondContact O-N 3.15Å; L93-Y97 WeakPolarHBondContact O-CB 3.35Å; L93-Y97 PolarHBondContact O-N 3.42Å
94	V	75	Confident	68.6	Low	71 Å²	71	101.2 Å²	101.2	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-43.5	176.9	174.1	0	0	0	0	111.3	Q90 L91 Y97 R98	Q90-V94 WeakPolarHBondContact O-CG2 3.48Å; Q90-V94 PolarHBondContact O-N 3.26Å; L91-V94 PolarHBondContact O-N 3.37Å; V94-Y97 PolarHBondContact O-N 3.11Å; V94-R98 WeakPolarHBondContact O-CB 3.23Å; V94-R98 PolarHBondContact O-N 3.43Å
95	D	74.4	Confident	67.9	Low	59 Å²	59	97 Å²	97	32%	0.316	51%	0.506	S	S	.	.	H	α-helix	trans	-68.2	-38	177.1	-87.6	-15.3	0	0	0	112.7	L91 Y97 R98 R99	L91-D95 PolarHBondContact O-N 3.5Å; D95-Y97 VanDerWaalsContact C-N 3.34Å; D95-R98 PolarHBondContact O-N 3.06Å; D95-R98 IonicContact OD1-NH1 3.35Å; D95-R98 PolarHBondContact OD1-NH1 3.42Å; D95-R99 WeakPolarHBondContact O-CB 3.39Å; D95-R99 WeakPolarHBondContact O-CG 3.21Å; D95-R99 PolarHBondContact O-N 3.45Å
96	A	72.5	Confident	67.2	Low	59 Å²	59	99.9 Å²	99.9	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-42.3	173.3	0	0	0	0	0	111.3	R92 L93 R99 G100	R92-A96 VanDerWaalsContact O-CB 3.23Å; R92-A96 WeakPolarHBondContact O-CB 3.49Å; R92-A96 PolarHBondContact O-N 3.19Å; L93-A96 PolarHBondContact O-N 3.15Å; A96-R99 PolarHBondContact O-N 3.26Å; A96-G100 PolarHBondContact O-N 3.26Å
97	Y	75.3	Confident	65.7	Low	164 Å²	164	100.6 Å²	100.6	64%	0.643	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-43.6	176.5	-161.1	-94.5	0	0	0	111.7	L93 V94 D95 R99 G100 F101	L93-Y97 WeakPolarHBondContact O-CB 3.35Å; L93-Y97 PolarHBondContact O-N 3.42Å; V94-Y97 PolarHBondContact O-N 3.11Å; D95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-R99 PolarHBondContact O-N 3.37Å; Y97-G100 PolarHBondContact O-N 3.36Å; Y97-F101 WeakPolarHBondContact O-CB 3.49Å; Y97-F101 PolarHBondContact O-N 3.19Å
98	R	72.8	Confident	64.6	Low	140 Å²	140	98.3 Å²	98.3	53%	0.528	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-44.5	175.7	-173.6	-175.6	-84.3	142.1	-10.8	111.7	V94 D95 F101 Q102	V94-R98 WeakPolarHBondContact O-CB 3.23Å; V94-R98 PolarHBondContact O-N 3.43Å; D95-R98 PolarHBondContact O-N 3.06Å; D95-R98 IonicContact OD1-NH1 3.35Å; D95-R98 PolarHBondContact OD1-NH1 3.42Å; R98-F101 PolarHBondContact O-N 3.37Å; R98-Q102 WeakPolarHBondContact O-CG 3.48Å; R98-Q102 PolarHBondContact O-N 3.28Å
99	R	71.4	Confident	63.3	Low	175 Å²	175	103.3 Å²	103.3	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-39.9	176.4	-73.9	178.3	-174.3	158	4.9	112.5	D95 A96 Y97 F101 Q102 S103	D95-R99 WeakPolarHBondContact O-CB 3.39Å; D95-R99 WeakPolarHBondContact O-CG 3.21Å; D95-R99 PolarHBondContact O-N 3.45Å; A96-R99 PolarHBondContact O-N 3.26Å; Y97-R99 PolarHBondContact O-N 3.37Å; R99-F101 VanDerWaalsContact C-N 3.33Å; R99-Q102 PolarHBondContact O-N 2.85Å; R99-S103 PolarHBondContact O-N 3.1Å; R99-S103 PolarHBondContact O-OG 3Å
100	G	66.5	Low	62.2	Low	31 Å²	31	107.7 Å²	107.7	32%	0.32	57%	0.57	S	S	.	*	H	α-helix	trans	-64.8	-36.1	175.3	0	0	0	0	0	113	A96 Y97 S103 S104	A96-G100 PolarHBondContact O-N 3.26Å; Y97-G100 PolarHBondContact O-N 3.36Å; G100-S103 PolarHBondContact O-OG 2.85Å; G100-S103 VanDerWaalsContact O-OG 3.12Å; G100-S104 WeakPolarHBondContact O-CB 3.47Å; G100-S104 PolarHBondContact O-N 2.96Å; G100-S104 PolarHBondContact O-OG 3.41Å
101	F	69.6	Low	61.4	Low	137 Å²	137	108.5 Å²	108.5	60%	0.601	58%	0.584	S	S	*	*	H	α-helix	trans	-69.4	-41.4	175.4	-159.4	-94.4	0	0	0	111.8	Y97 R98 R99 S104 T105	Y97-F101 WeakPolarHBondContact O-CB 3.49Å; Y97-F101 PolarHBondContact O-N 3.19Å; R98-F101 PolarHBondContact O-N 3.37Å; R99-F101 VanDerWaalsContact C-N 3.33Å; F101-S104 PolarHBondContact O-N 2.94Å; F101-T105 PolarHBondContact O-N 3.48Å; F101-T105 PolarHBondContact O-OG1 3.06Å
102	Q	59.3	Low	60.6	Low	115 Å²	115	108 Å²	108	54%	0.537	58%	0.582	S	S	.	*	H	α-helix	trans	-69.3	-34.6	177.3	-73.1	174.6	-17.9	0	0	113	R98 R99 S104 T105	R98-Q102 WeakPolarHBondContact O-CG 3.48Å; R98-Q102 PolarHBondContact O-N 3.28Å; R99-Q102 PolarHBondContact O-N 2.85Å; Q102-S104 VanDerWaalsContact C-N 3.31Å; Q102-T105 PolarHBondContact O-N 3.07Å; Q102-T105 PolarHBondContact O-OG1 3.2Å
103	S	56.9	Low	59.7	Low	70 Å²	70	105.9 Å²	105.9	49%	0.49	58%	0.578	S	S	.	*	H	α-helix	trans	-73.5	-24.2	174.9	65.5	0	0	0	0	113.1	R99 G100 T105 S107	R99-S103 PolarHBondContact O-N 3.1Å; R99-S103 PolarHBondContact O-OG 3Å; G100-S103 PolarHBondContact O-OG 2.85Å; G100-S103 VanDerWaalsContact O-OG 3.12Å; S103-T105 VanDerWaalsContact C-N 3.31Å; S103-S107 PolarHBondContact O-OG 3.41Å
104	S	49	Very low	59.3	Low	102 Å²	102	109.8 Å²	109.8	71%	0.713	60%	0.596	S	S	*	*	H	α-helix	trans	-75	-19.5	175.5	-60.5	0	0	0	0	113.2	G100 F101 Q102	G100-S104 WeakPolarHBondContact O-CB 3.47Å; G100-S104 PolarHBondContact O-N 2.96Å; G100-S104 PolarHBondContact O-OG 3.41Å; F101-S104 PolarHBondContact O-N 2.94Å; Q102-S104 VanDerWaalsContact C-N 3.31Å
105	T	50.9	Low	59.1	Low	76 Å²	76	112.5 Å²	112.5	47%	0.466	60%	0.604	S	S	.	*	H	α-helix	trans	-87.5	-29.1	-178.5	42.5	0	0	0	0	114.2	F101 Q102 S103	F101-T105 PolarHBondContact O-N 3.48Å; F101-T105 PolarHBondContact O-OG1 3.06Å; Q102-T105 PolarHBondContact O-N 3.07Å; Q102-T105 PolarHBondContact O-OG1 3.2Å; S103-T105 VanDerWaalsContact C-N 3.31Å
106	D	47.6	Very low	59.1	Low	146 Å²	146	115.2 Å²	115.2	78%	0.781	62%	0.616	S	S	*	*	H	α-helix	trans	-111.4	-7.3	-164.3	-73.9	-18.5	0	0	0	117.4
107	S	41.2	Very low	59.4	Low	105 Å²	105	120 Å²	120	73%	0.734	62%	0.622	S	S	*	*	S	Bend	trans	-119.5	81.3	177.3	50.1	0	0	0	0	112.8	S103	S103-S107 PolarHBondContact O-OG 3.41Å
108	G	45.2	Very low	59.6	Low	58 Å²	58	120.9 Å²	120.9	60%	0.598	62%	0.624	S	S	*	*	S	Bend	trans	173.9	-12	167.2	0	0	0	0	0	118.1
109	K	43.2	Very low	59.9	Low	181 Å²	181	117.9 Å²	117.9	79%	0.787	62%	0.621	S	S	*	*	H	α-helix	trans	-96	-4.5	-169.9	-73.6	-177.8	-178	165.8	0	117.1
110	S	46.2	Very low	60.6	Low	116 Å²	116	113.8 Å²	113.8	81%	0.811	61%	0.612	S	S	*	*	H	α-helix	trans	-80.3	-36	-178.2	-164.1	0	0	0	0	113.8
111	S	49.9	Very low	61.6	Low	90 Å²	90	116.7 Å²	116.7	63%	0.629	62%	0.619	S	S	*	*	H	α-helix	trans	-79.2	-37.1	-174.1	-167	0	0	0	0	114.2	K113	S111-K113 PolarHBondContact O-N 2.94Å
112	N	56.7	Low	62.4	Low	109 Å²	109	115.1 Å²	115.1	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-73.5	-24.7	-173.6	-86.5	-10.2	0	0	0	114.9	M116	N112-M116 PolarHBondContact O-N 2.91Å
113	K	56.5	Low	63.6	Low	150 Å²	150	117 Å²	117	65%	0.652	62%	0.622	S	S	*	*	H	α-helix	trans	-69.7	-41.8	-178.2	-137	176.2	-174.7	-178.2	0	110.5	S111 Q115 M116 W117	S111-K113 PolarHBondContact O-N 2.94Å; K113-Q115 PolarHBondContact O-N 2.96Å; K113-M116 PolarHBondContact O-N 3.41Å; K113-W117 VanDerWaalsContact O-CD1 3.24Å; K113-W117 PolarHBondContact O-N 3.2Å
114	M	64.5	Low	65	Low	152 Å²	152	118.1 Å²	118.1	75%	0.749	63%	0.626	S	S	*	*	H	α-helix	trans	-64	-38.6	-178.3	-161.6	84.3	92.9	0	0	112.9	R118	M114-R118 PolarHBondContact O-N 3.4Å
115	Q	70.8	Confident	67	Low	128 Å²	128	118.3 Å²	118.3	60%	0.598	62%	0.618	S	S	*	*	H	α-helix	trans	-69.1	-38	178.4	-77.5	-177.6	-24.6	0	0	112.7	K113 W117 R118 T119	K113-Q115 PolarHBondContact O-N 2.96Å; Q115-W117 PolarHBondContact O-N 3.36Å; Q115-R118 PolarHBondContact O-N 2.86Å; Q115-T119 WeakPolarHBondContact O-CG2 3.45Å; Q115-T119 PolarHBondContact O-N 3.45Å
116	M	74.3	Confident	68.8	Low	115 Å²	115	120.2 Å²	120.2	57%	0.567	63%	0.625	S	S	*	*	H	α-helix	trans	-61.5	-46.9	179.2	-168.2	-170.5	-68.6	0	0	111.5	N112 K113 R118 T119 I120	N112-M116 PolarHBondContact O-N 2.91Å; K113-M116 PolarHBondContact O-N 3.41Å; M116-R118 PolarHBondContact O-N 3.2Å; M116-T119 PolarHBondContact O-N 2.91Å; M116-T119 PolarHBondContact O-OG1 3.09Å; M116-I120 HydrophobicContact CG-CD1 4.34Å; M116-I120 WeakPolarHBondContact O-CG1 3.42Å; M116-I120 PolarHBondContact O-N 3.37Å
117	W	79.2	Confident	70.8	Confident	160 Å²	160	120.8 Å²	120.8	61%	0.606	62%	0.62	S	S	*	*	H	α-helix	trans	-66.9	-36.9	179.7	-74.9	82.3	0	0	0	112.8	K113 Q115 T119 I120 I121	K113-W117 VanDerWaalsContact O-CD1 3.24Å; K113-W117 PolarHBondContact O-N 3.2Å; Q115-W117 PolarHBondContact O-N 3.36Å; W117-T119 VanDerWaalsContact C-N 3.33Å; W117-T119 PolarHBondContact O-N 3.13Å; W117-I120 PolarHBondContact O-N 2.94Å; W117-I121 WeakPolarHBondContact O-CG1 3.34Å; W117-I121 PolarHBondContact O-N 2.92Å
118	R	80.5	Confident	73.1	Confident	182 Å²	182	117.6 Å²	117.6	69%	0.687	60%	0.604	S	S	*	*	H	α-helix	trans	-58.6	-42.3	173.4	-108.9	177.9	85	177.3	5.7	112.5	M114 Q115 M116 I122	M114-R118 PolarHBondContact O-N 3.4Å; Q115-R118 PolarHBondContact O-N 2.86Å; M116-R118 PolarHBondContact O-N 3.2Å; R118-I122 WeakPolarHBondContact O-CD1 3.46Å; R118-I122 WeakPolarHBondContact O-CG1 3.4Å; R118-I122 PolarHBondContact O-N 2.91Å
119	T	79.2	Confident	75.3	Confident	78 Å²	78	119.3 Å²	119.3	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-72.6	-31	-178.1	61	0	0	0	0	113.5	Q115 M116 W117 K123	Q115-T119 WeakPolarHBondContact O-CG2 3.45Å; Q115-T119 PolarHBondContact O-N 3.45Å; M116-T119 PolarHBondContact O-N 2.91Å; M116-T119 PolarHBondContact O-OG1 3.09Å; W117-T119 VanDerWaalsContact C-N 3.33Å; W117-T119 PolarHBondContact O-N 3.13Å; T119-K123 WeakPolarHBondContact O-CG 3.32Å; T119-K123 PolarHBondContact O-N 2.96Å
120	I	84.7	Confident	77.5	Confident	89 Å²	89	114.7 Å²	114.7	46%	0.456	59%	0.589	S	S	.	*	H	α-helix	trans	-68	-48.9	177.5	-67.5	167.9	0	0	0	110.2	M116 W117 I122 K123 T124	M116-I120 HydrophobicContact CG-CD1 4.34Å; M116-I120 WeakPolarHBondContact O-CG1 3.42Å; M116-I120 PolarHBondContact O-N 3.37Å; W117-I120 PolarHBondContact O-N 2.94Å; I120-I122 PolarHBondContact O-N 2.97Å; I120-K123 PolarHBondContact O-N 3.36Å; I120-T124 PolarHBondContact O-N 3.02Å; I120-T124 VanDerWaalsContact O-N 3.09Å; I120-T124 PolarHBondContact O-OG1 3.42Å
121	I	87.3	Confident	79.4	Confident	91 Å²	91	111.5 Å²	111.5	47%	0.467	57%	0.567	S	S	.	*	H	α-helix	trans	-62.1	-42.5	-176.9	-65.8	167.1	0	0	0	111.7	W117 K123 T124 I125	W117-I121 WeakPolarHBondContact O-CG1 3.34Å; W117-I121 PolarHBondContact O-N 2.92Å; I121-K123 VanDerWaalsContact C-N 3.32Å; I121-K123 PolarHBondContact O-N 3.31Å; I121-T124 WeakPolarHBondContact CA-OG1 3.49Å; I121-T124 PolarHBondContact O-N 3.38Å; I121-T124 PolarHBondContact O-OG1 2.91Å; I121-I125 HydrophobicContact CG2-CD1 3.78Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.35Å; I121-I125 PolarHBondContact O-N 3.48Å; I121-I125 VanDerWaalsContact O-N 3.11Å
122	I	87.3	Confident	81.1	Confident	105 Å²	105	110.8 Å²	110.8	54%	0.538	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-39.7	178.8	-68.1	169.2	0	0	0	110.9	R118 I120 L126	R118-I122 WeakPolarHBondContact O-CD1 3.46Å; R118-I122 WeakPolarHBondContact O-CG1 3.4Å; R118-I122 PolarHBondContact O-N 2.91Å; I120-I122 PolarHBondContact O-N 2.97Å; I122-L126 WeakPolarHBondContact O-CB 3.43Å; I122-L126 PolarHBondContact O-N 3.08Å
123	K	84.3	Confident	82.6	Confident	155 Å²	155	112.5 Å²	112.5	67%	0.674	56%	0.564	S	S	*	*	H	α-helix	trans	-69.3	-39.2	179.4	-75.8	-178	178.3	-176.2	0	112.8	T119 I120 I121 L126 F127	T119-K123 WeakPolarHBondContact O-CG 3.32Å; T119-K123 PolarHBondContact O-N 2.96Å; I120-K123 PolarHBondContact O-N 3.36Å; I121-K123 VanDerWaalsContact C-N 3.32Å; I121-K123 PolarHBondContact O-N 3.31Å; K123-L126 PolarHBondContact O-N 2.94Å; K123-F127 WeakPolarHBondContact O-CB 3.36Å; K123-F127 PolarHBondContact O-N 3.48Å
124	T	86.5	Confident	83.8	Confident	92 Å²	92	109 Å²	109	56%	0.564	56%	0.555	S	S	*	*	H	α-helix	trans	-67.3	-40.2	176.7	20.6	0	0	0	0	112.2	I120 I121 F127 G128	I120-T124 PolarHBondContact O-N 3.02Å; I120-T124 VanDerWaalsContact O-N 3.09Å; I120-T124 PolarHBondContact O-OG1 3.42Å; I121-T124 WeakPolarHBondContact CA-OG1 3.49Å; I121-T124 PolarHBondContact O-N 3.38Å; I121-T124 PolarHBondContact O-OG1 2.91Å; T124-F127 PolarHBondContact O-N 2.83Å; T124-G128 PolarHBondContact O-N 3.49Å
125	I	90.3	Very high	84.6	Confident	106 Å²	106	105.8 Å²	105.8	54%	0.544	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-45.4	176.1	-66.5	168	0	0	0	110.4	I121 F127 G128 V129	I121-I125 HydrophobicContact CG2-CD1 3.78Å; I121-I125 VanDerWaalsContact O-CG1 3.32Å; I121-I125 WeakPolarHBondContact O-CG1 3.35Å; I121-I125 PolarHBondContact O-N 3.48Å; I121-I125 VanDerWaalsContact O-N 3.11Å; I125-F127 VanDerWaalsContact C-N 3.33Å; I125-F127 PolarHBondContact O-N 3.4Å; I125-G128 PolarHBondContact O-N 2.98Å; I125-V129 HydrophobicContact CG2-CG2 4.41Å; I125-V129 WeakPolarHBondContact O-CG2 3.33Å; I125-V129 PolarHBondContact O-N 3.39Å
126	L	89.3	Confident	85.1	Confident	117 Å²	117	103.3 Å²	103.3	61%	0.613	53%	0.534	S	S	*	.	H	α-helix	trans	-59.9	-43.5	177.7	-164.8	82	0	0	0	111.8	I122 K123 V129 V130	I122-L126 WeakPolarHBondContact O-CB 3.43Å; I122-L126 PolarHBondContact O-N 3.08Å; K123-L126 PolarHBondContact O-N 2.94Å; L126-V129 PolarHBondContact O-N 3.4Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 3.37Å
127	F	88.9	Confident	85.4	Confident	158 Å²	158	103.6 Å²	103.6	69%	0.693	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-41.1	176.5	-173.1	-98.3	0	0	0	112.2	K123 T124 I125 S131	K123-F127 WeakPolarHBondContact O-CB 3.36Å; K123-F127 PolarHBondContact O-N 3.48Å; T124-F127 PolarHBondContact O-N 2.83Å; I125-F127 VanDerWaalsContact C-N 3.33Å; I125-F127 PolarHBondContact O-N 3.4Å; F127-S131 WeakPolarHBondContact O-CB 3.33Å; F127-S131 PolarHBondContact O-N 3.02Å
128	G	89.9	Confident	85.3	Confident	38 Å²	38	101 Å²	101	39%	0.392	53%	0.529	S	S	.	.	H	α-helix	trans	-62	-43.2	175.4	0	0	0	0	0	112.8	T124 I125 S131 C132	T124-G128 PolarHBondContact O-N 3.49Å; I125-G128 PolarHBondContact O-N 2.98Å; G128-S131 PolarHBondContact O-N 2.9Å; G128-C132 WeakPolarHBondContact O-CB 3.47Å; G128-C132 PolarHBondContact O-N 3.22Å
129	V	91.4	Very high	84.8	Confident	93 Å²	93	99.6 Å²	99.6	56%	0.564	53%	0.528	S	S	*	.	H	α-helix	trans	-67.5	-44.4	178.6	174.8	0	0	0	0	111.4	I125 L126 C132 F133	I125-V129 HydrophobicContact CG2-CG2 4.41Å; I125-V129 WeakPolarHBondContact O-CG2 3.33Å; I125-V129 PolarHBondContact O-N 3.39Å; L126-V129 PolarHBondContact O-N 3.4Å; V129-C132 PolarHBondContact O-N 3.11Å; V129-F133 WeakPolarHBondContact O-CB 3.32Å; V129-F133 PolarHBondContact O-N 2.84Å
130	V	89.7	Confident	84.3	Confident	84 Å²	84	104.5 Å²	104.5	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-42.6	176.6	175	0	0	0	0	111	L126 F133 T134	L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 3.37Å; V130-F133 PolarHBondContact O-N 3.48Å; V130-T134 HydrophobicContact CG1-CG2 4.42Å; V130-T134 WeakPolarHBondContact O-CG2 3.22Å; V130-T134 PolarHBondContact O-N 2.96Å; V130-T134 PolarHBondContact O-OG1 3.02Å
131	S	86	Confident	83.5	Confident	49 Å²	49	104.4 Å²	104.4	34%	0.343	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.2	-178	0	0	0	0	112.5	F127 G128 T134 I135	F127-S131 WeakPolarHBondContact O-CB 3.33Å; F127-S131 PolarHBondContact O-N 3.02Å; G128-S131 PolarHBondContact O-N 2.9Å; S131-T134 PolarHBondContact O-N 3.29Å; S131-T134 PolarHBondContact O-OG1 2.68Å; S131-I135 WeakPolarHBondContact O-CD1 3.26Å; S131-I135 VanDerWaalsContact O-CG1 3.26Å; S131-I135 WeakPolarHBondContact O-CG1 3.46Å; S131-I135 PolarHBondContact O-N 2.86Å; S131-I135 VanDerWaalsContact O-N 3.08Å
132	C	85.7	Confident	81.9	Confident	76 Å²	76	104.2 Å²	104.2	51%	0.514	55%	0.546	S	S	.	.	H	α-helix	trans	-65.1	-42	176.1	-164.6	0	0	0	0	111.2	G128 V129 I135 V136	G128-C132 WeakPolarHBondContact O-CB 3.47Å; G128-C132 PolarHBondContact O-N 3.22Å; V129-C132 PolarHBondContact O-N 3.11Å; C132-I135 PolarHBondContact O-N 3.14Å; C132-V136 VanDerWaalsContact O-CG2 3.32Å; C132-V136 WeakPolarHBondContact O-CG2 3.38Å; C132-V136 PolarHBondContact O-N 2.88Å
133	F	88.4	Confident	79.9	Confident	144 Å²	144	101.8 Å²	101.8	63%	0.632	55%	0.547	S	S	*	.	H	α-helix	trans	-64.9	-42	177.9	-167.6	-95.1	0	0	0	112.3	V129 V130 V136 F137	V129-F133 WeakPolarHBondContact O-CB 3.32Å; V129-F133 PolarHBondContact O-N 2.84Å; V130-F133 PolarHBondContact O-N 3.48Å; F133-V136 PolarHBondContact O-N 3.41Å; F133-F137 VanDerWaalsContact O-CB 3.22Å; F133-F137 WeakPolarHBondContact O-CB 3.08Å; F133-F137 PolarHBondContact O-N 3.4Å
134	T	81.7	Confident	78.2	Confident	76 Å²	76	97 Å²	97	47%	0.466	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-38.7	176.8	54.2	0	0	0	0	111.9	V130 S131 F137 L138	V130-T134 HydrophobicContact CG1-CG2 4.42Å; V130-T134 WeakPolarHBondContact O-CG2 3.22Å; V130-T134 PolarHBondContact O-N 2.96Å; V130-T134 PolarHBondContact O-OG1 3.02Å; S131-T134 PolarHBondContact O-N 3.29Å; S131-T134 PolarHBondContact O-OG1 2.68Å; T134-F137 PolarHBondContact O-N 3.35Å; T134-L138 WeakPolarHBondContact O-CB 3.31Å; T134-L138 PolarHBondContact O-N 3.11Å
135	I	81.4	Confident	76.4	Confident	86 Å²	86	97.9 Å²	97.9	44%	0.441	55%	0.547	S	S	.	.	H	α-helix	trans	-65.5	-44	175.8	-67.9	166.3	0	0	0	111.2	S131 C132 K139	S131-I135 WeakPolarHBondContact O-CD1 3.26Å; S131-I135 VanDerWaalsContact O-CG1 3.26Å; S131-I135 WeakPolarHBondContact O-CG1 3.46Å; S131-I135 PolarHBondContact O-N 2.86Å; S131-I135 VanDerWaalsContact O-N 3.08Å; C132-I135 PolarHBondContact O-N 3.14Å; I135-K139 HydrophobicContact CG2-CD 4.37Å; I135-K139 WeakPolarHBondContact O-CB 3.4Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.36Å; I135-K139 PolarHBondContact O-N 3.41Å
136	V	81.3	Confident	74.5	Confident	76 Å²	76	99.2 Å²	99.2	46%	0.461	55%	0.549	S	S	.	.	H	α-helix	trans	-68	-40.2	178	173.3	0	0	0	0	111.2	C132 F133 K139 K140	C132-V136 VanDerWaalsContact O-CG2 3.32Å; C132-V136 WeakPolarHBondContact O-CG2 3.38Å; C132-V136 PolarHBondContact O-N 2.88Å; F133-V136 PolarHBondContact O-N 3.41Å; V136-K139 PolarHBondContact O-N 3.29Å; V136-K140 PolarHBondContact O-N 3.2Å
137	F	81	Confident	72.6	Confident	121 Å²	121	97.5 Å²	97.5	53%	0.531	55%	0.545	S	S	.	.	H	α-helix	trans	-64.6	-44.8	176.3	-172.4	-96.4	0	0	0	111.3	F133 T134 K139 K140 T141	F133-F137 VanDerWaalsContact O-CB 3.22Å; F133-F137 WeakPolarHBondContact O-CB 3.08Å; F133-F137 PolarHBondContact O-N 3.4Å; T134-F137 PolarHBondContact O-N 3.35Å; F137-K139 PolarHBondContact O-N 2.89Å; F137-K140 PolarHBondContact O-N 3.21Å; F137-K140 VanDerWaalsContact O-N 3.11Å; F137-T141 HydrophobicContact CD1-CG2 4.46Å; F137-T141 HydrophobicContact CE1-CG2 3.81Å; F137-T141 HydrophobicContact CE2-CG2 4.23Å; F137-T141 HydrophobicContact CZ-CG2 3.68Å; F137-T141 PolarHBondContact O-N 3.1Å; F137-T141 PolarHBondContact O-OG1 2.77Å
138	L	75.7	Confident	70.6	Confident	104 Å²	104	98.2 Å²	98.2	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-43	176.2	-163.5	78	0	0	0	111.1	T134 K140 L142	T134-L138 WeakPolarHBondContact O-CB 3.31Å; T134-L138 PolarHBondContact O-N 3.11Å; L138-K140 VanDerWaalsContact C-N 3.28Å; L138-K140 PolarHBondContact O-N 2.79Å; L138-L142 HydrophobicContact CD1-CD1 3.4Å; L138-L142 VanDerWaalsContact CD1-CD1 3.4Å; L138-L142 HydrophobicContact CG-CD1 3.88Å; L138-L142 WeakPolarHBondContact O-CB 3.41Å; L138-L142 PolarHBondContact O-N 3.26Å
139	K	71.5	Confident	68.7	Low	154 Å²	154	103.7 Å²	103.7	67%	0.67	56%	0.561	S	S	*	*	H	α-helix	trans	-62.7	-31.3	174.1	-77.1	-176.9	176.4	-170.9	0	113.1	I135 V136 F137 G143	I135-K139 HydrophobicContact CG2-CD 4.37Å; I135-K139 WeakPolarHBondContact O-CB 3.4Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.36Å; I135-K139 PolarHBondContact O-N 3.41Å; V136-K139 PolarHBondContact O-N 3.29Å; F137-K139 PolarHBondContact O-N 2.89Å; K139-G143 WeakPolarHBondContact O-CA 3.19Å; K139-G143 PolarHBondContact O-N 3.32Å
140	K	68.3	Low	66.4	Low	180 Å²	180	104.6 Å²	104.6	78%	0.783	56%	0.562	S	S	*	*	H	α-helix	trans	-84.7	-39.2	178.3	-93.6	-173.7	171.7	-176.5	0	114	V136 F137 L138	V136-K140 PolarHBondContact O-N 3.2Å; F137-K140 PolarHBondContact O-N 3.21Å; F137-K140 VanDerWaalsContact O-N 3.11Å; L138-K140 VanDerWaalsContact C-N 3.28Å; L138-K140 PolarHBondContact O-N 2.79Å
141	T	67.4	Low	64.2	Low	88 Å²	88	105.3 Å²	105.3	54%	0.54	56%	0.563	S	S	.	*	H	α-helix	trans	-80.7	-30.2	-178.8	31.7	0	0	0	0	113.2	F137	F137-T141 HydrophobicContact CD1-CG2 4.46Å; F137-T141 HydrophobicContact CE1-CG2 3.81Å; F137-T141 HydrophobicContact CE2-CG2 4.23Å; F137-T141 HydrophobicContact CZ-CG2 3.68Å; F137-T141 PolarHBondContact O-N 3.1Å; F137-T141 PolarHBondContact O-OG1 2.77Å
142	L	54.7	Low	62.5	Low	87 Å²	87	109.5 Å²	109.5	46%	0.455	58%	0.577	S	S	.	*	S	Bend	trans	-105.5	7.3	177	-74	151.5	0	0	0	113.4	L138 G144 T145	L138-L142 HydrophobicContact CD1-CD1 3.4Å; L138-L142 VanDerWaalsContact CD1-CD1 3.4Å; L138-L142 HydrophobicContact CG-CD1 3.88Å; L138-L142 WeakPolarHBondContact O-CB 3.41Å; L138-L142 PolarHBondContact O-N 3.26Å; L142-G144 PolarHBondContact O-N 3.07Å; L142-T145 PolarHBondContact O-N 3.36Å
143	G	44.7	Very low	60.4	Low	54 Å²	54	112.4 Å²	112.4	56%	0.557	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	14.8	-169.5	0	0	0	0	0	117.7	K139	K139-G143 WeakPolarHBondContact O-CA 3.19Å; K139-G143 PolarHBondContact O-N 3.32Å
144	G	49.1	Very low	58.4	Low	53 Å²	53	109.6 Å²	109.6	55%	0.546	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.1	-26.4	175.8	0	0	0	0	0	115.2	L142	L142-G144 PolarHBondContact O-N 3.07Å
145	T	47.5	Very low	56.6	Low	112 Å²	112	109.3 Å²	109.3	69%	0.687	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-29.5	-164.5	-38.1	0	0	0	0	113.4	L142	L142-T145 PolarHBondContact O-N 3.36Å
146	F	50.3	Low	55.4	Low	133 Å²	133	109.1 Å²	109.1	58%	0.583	60%	0.597	S	S	*	*	H	α-helix	trans	-70.7	-38.3	-176.3	-131.5	-92.9	0	0	0	115.2	K148 F149 L150	F146-K148 VanDerWaalsContact C-N 3.31Å; F146-K148 PolarHBondContact O-N 2.84Å; F146-F149 PolarHBondContact O-N 3.03Å; F146-L150 HydrophobicContact CD1-CD1 4.31Å; F146-L150 PolarHBondContact O-N 2.85Å
147	P	51.1	Low	54.4	Low	82 Å²	82	107 Å²	107	53%	0.532	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-36.1	178.1	-19.9	31.5	0	0	0	112.4	F149 L150 D151	P147-F149 VanDerWaalsContact C-N 3.27Å; P147-F149 PolarHBondContact O-N 3.31Å; P147-L150 CarbonylContact O-C 3.51Å; P147-L150 PolarHBondContact O-N 3.48Å; P147-L150 VanDerWaalsContact O-N 3.11Å; P147-D151 PolarHBondContact O-N 2.88Å
148	K	46.2	Very low	53.7	Low	172 Å²	172	102.7 Å²	102.7	75%	0.748	57%	0.568	S	S	*	*	H	α-helix	trans	-68.5	-23.7	178.5	-73	-173.5	176.5	-177.7	0	113.7	F146	F146-K148 VanDerWaalsContact C-N 3.31Å; F146-K148 PolarHBondContact O-N 2.84Å
149	F	49	Very low	53.8	Low	154 Å²	154	102.6 Å²	102.6	68%	0.675	57%	0.565	S	S	*	*	H	α-helix	trans	-78.7	-24.7	173.4	-164.4	-95.3	0	0	0	112.2	F146 P147 L239	F146-F149 PolarHBondContact O-N 3.03Å; P147-F149 VanDerWaalsContact C-N 3.27Å; P147-F149 PolarHBondContact O-N 3.31Å; F149-L239 HydrophobicContact CZ-CD1 4.12Å
150	L	43.8	Very low	54.2	Low	112 Å²	112	101.8 Å²	101.8	59%	0.586	57%	0.568	S	S	*	*	H	α-helix	trans	-98.2	-7.9	177.9	-70.3	177	0	0	0	113.7	F146 P147 Q152	F146-L150 HydrophobicContact CD1-CD1 4.31Å; F146-L150 PolarHBondContact O-N 2.85Å; P147-L150 CarbonylContact O-C 3.51Å; P147-L150 PolarHBondContact O-N 3.48Å; P147-L150 VanDerWaalsContact O-N 3.11Å; L150-Q152 PolarHBondContact O-N 3.1Å
151	D	44	Very low	54.7	Low	98 Å²	98	94.2 Å²	94.2	52%	0.524	54%	0.537	S	S	.	.			trans	-70.3	87.2	179.1	-145.3	-11.8	0	0	0	108.4	P147 N153	P147-D151 PolarHBondContact O-N 2.88Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 VanDerWaalsContact O-N 3.1Å; D151-N153 PolarHBondContact OD1-ND2 3.1Å
152	Q	50.8	Low	55.6	Low	138 Å²	138	97.8 Å²	97.8	65%	0.645	55%	0.553	S	S	*	*			trans	-68.6	4.9	176.6	-70.3	-175.7	-13.6	0	0	112.5	L150 I154	L150-Q152 PolarHBondContact O-N 3.1Å; Q152-I154 PolarHBondContact O-N 3.37Å
153	N	41.1	Very low	57.3	Low	136 Å²	136	95.3 Å²	95.3	73%	0.727	54%	0.541	S	S	*	.			trans	-76.2	63.3	174.2	-66.1	-44.6	0	0	0	110.5	D151 G155	D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 VanDerWaalsContact O-N 3.1Å; D151-N153 PolarHBondContact OD1-ND2 3.1Å; N153-G155 PolarHBondContact O-N 3.15Å
154	I	46	Very low	59.5	Low	86 Å²	86	94 Å²	94	44%	0.441	52%	0.524	S	S	.	.			trans	-76.5	48.1	153.9	-48.9	173.8	0	0	0	107	Q152 F157	Q152-I154 PolarHBondContact O-N 3.37Å; I154-F157 HydrophobicContact CG2-CZ 4.34Å
155	G	44	Very low	61.5	Low	70 Å²	70	92.7 Å²	92.7	72%	0.722	50%	0.503	S	S	*	.			trans	-76.8	128.7	164.7	0	0	0	0	0	106.1	N153	N153-G155 PolarHBondContact O-N 3.15Å
156	S	55.2	Low	63.5	Low	82 Å²	82	91.2 Å²	91.2	57%	0.573	50%	0.497	S	S	*	.			cis	-135.9	113.5	23.9	44.1	0	0	0	0	108.2	A158	S156-A158 PolarHBondContact O-N 3.23Å
157	F	61.7	Low	65.3	Low	30 Å²	30	88.7 Å²	88.7	13%	0.132	49%	0.49	C	S	.	.	S	Bend	trans	-59.2	-34.1	166.2	-72.8	-74.5	0	0	0	110.2	I154 E159 L228 Y229 A230 L250 T253	I154-F157 HydrophobicContact CG2-CZ 4.34Å; F157-E159 PolarHBondContact O-N 3.33Å; F157-L228 VanDerWaalsContact C-CD2 3.43Å; F157-L228 HydrophobicContact CB-CB 4.21Å; F157-L228 HydrophobicContact CB-CD2 3.69Å; F157-L228 HydrophobicContact CB-CG 4.41Å; F157-L228 VanDerWaalsContact O-CA 3.27Å; F157-L228 WeakPolarHBondContact O-CA 3.32Å; F157-Y229 WeakPolarHBondContact CD1-O 3.35Å; F157-Y229 PolarHBondContact O-N 2.72Å; F157-A230 HydrophobicContact CE1-CB 4.36Å; F157-L250 HydrophobicContact CB-CD1 4.38Å; F157-L250 HydrophobicContact CD1-CD1 3.58Å; F157-L250 HydrophobicContact CD2-CD1 4.36Å; F157-L250 HydrophobicContact CE1-CD1 3.86Å; F157-L250 HydrophobicContact CG-CD1 3.86Å; F157-L250 HydrophobicContact CZ-CD1 4.36Å; F157-T253 HydrophobicContact CB-CG2 4.26Å; F157-T253 HydrophobicContact CD2-CG2 4.46Å
158	A	64.9	Low	67.1	Low	32 Å²	32	85 Å²	85	26%	0.264	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.9	-176.5	0	0	0	0	0	113.1	S156 L228	S156-A158 PolarHBondContact O-N 3.23Å; A158-L228 HydrophobicContact CB-CD2 3.52Å; A158-L228 VanDerWaalsContact N-CD2 3.27Å
159	E	79.3	Confident	69.2	Low	102 Å²	102	79.8 Å²	79.8	48%	0.477	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.6	165.9	-63.7	-178.6	172	0	0	109.1	F157 F227	F157-E159 PolarHBondContact O-N 3.33Å; E159-F227 PolarHBondContact N-O 3.39Å; E159-F227 WeakPolarHBondContact O-CB 3.43Å; E159-F227 PolarHBondContact O-N 2.76Å
160	N	78.4	Confident	70.9	Confident	137 Å²	137	72.8 Å²	72.8	73%	0.733	42%	0.415	S	S	*	.			trans	-87.9	130.2	163.9	-68.6	-35.7	0	0	0	107.5
161	T	80.3	Confident	73	Confident	21 Å²	21	68.2 Å²	68.2	13%	0.129	39%	0.392	C	S	.	.			trans	-106.9	129.7	-179.9	59	0	0	0	0	109.8	K217 S220 G221 F227	T161-K217 HydrophobicContact CG2-CB 4.33Å; T161-K217 HydrophobicContact CG2-CD 4.45Å; T161-K217 HydrophobicContact CG2-CG 4.15Å; T161-K217 PolarHBondContact OG1-O 2.8Å; T161-S220 PolarHBondContact OG1-OG 3.49Å; T161-G221 WeakPolarHBondContact O-CA 3.43Å; T161-G221 PolarHBondContact OG1-N 3.41Å; T161-F227 HydrophobicContact CG2-CB 3.87Å; T161-F227 HydrophobicContact CG2-CD1 3.91Å; T161-F227 HydrophobicContact CG2-CG 3.99Å
162	D	84.7	Confident	75.1	Confident	162 Å²	162	67.6 Å²	67.6	87%	0.866	39%	0.389	S	S	*	.			trans	-87.1	5.6	174.6	-61.7	-37.6	0	0	0	112.4
163	V	90.7	Very high	76.9	Confident	35 Å²	35	68.2 Å²	68.2	21%	0.212	39%	0.392	C	S	.	.			trans	-81.8	131.1	-177.7	-177.1	0	0	0	0	109.1	D167 L214 K217 A218 G221	V163-D167 HydrophobicContact CG1-CB 4.1Å; V163-L214 HydrophobicContact CG1-CD1 3.98Å; V163-K217 HydrophobicContact CB-CB 4.25Å; V163-A218 HydrophobicContact CG1-CB 4.16Å; V163-A218 WeakPolarHBondContact O-CA 3.47Å; V163-G221 WeakPolarHBondContact O-CA 3.43Å
164	S	91.2	Very high	79.4	Confident	28 Å²	28	62.4 Å²	62.4	20%	0.196	36%	0.361	C	S	.	.			trans	-123.1	174.6	-179.9	64.6	0	0	0	0	111.9	S166 D167	S164-S166 PolarHBondContact O-N 2.98Å; S164-S166 VanDerWaalsContact O-N 3.14Å; S164-S166 PolarHBondContact OG-OG 2.88Å; S164-D167 PolarHBondContact N-OD2 2.88Å; S164-D167 PolarHBondContact O-N 2.9Å; S164-D167 PolarHBondContact OG-OD2 3.23Å
165	F	91.7	Very high	81.6	Confident	24 Å²	24	59.6 Å²	59.6	11%	0.105	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.3	177.8	-74.1	-25.9	0	0	0	114.2	D167 K175 L178 V179 V182 A218 V219 E222	F165-D167 VanDerWaalsContact C-N 3.31Å; F165-K175 WeakPolarHBondContact O-CE 3.45Å; F165-K175 PolarHBondContact O-NZ 3.39Å; F165-L178 HydrophobicContact CZ-CB 3.98Å; F165-V179 HydrophobicContact CD2-CG2 4.41Å; F165-V179 HydrophobicContact CE2-CG2 3.89Å; F165-V182 HydrophobicContact CE2-CG2 3.74Å; F165-V182 HydrophobicContact CZ-CG2 3.66Å; F165-A218 HydrophobicContact CD1-CB 3.63Å; F165-A218 HydrophobicContact CE1-CB 4.05Å; F165-V219 HydrophobicContact CE1-CB 4.47Å; F165-V219 HydrophobicContact CE1-CG2 3.71Å; F165-V219 HydrophobicContact CZ-CG2 3.81Å; F165-E222 HydrophobicContact CD2-CB 4.34Å; F165-E222 HydrophobicContact CD2-CG 3.99Å; F165-E222 HydrophobicContact CE2-CB 4.41Å; F165-E222 HydrophobicContact CE2-CG 4.17Å
166	S	88.8	Confident	83.9	Confident	82 Å²	82	63.7 Å²	63.7	57%	0.573	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.5	173	58.9	0	0	0	0	113.2	S164 Q169	S164-S166 PolarHBondContact O-N 2.98Å; S164-S166 VanDerWaalsContact O-N 3.14Å; S164-S166 PolarHBondContact OG-OG 2.88Å; S166-Q169 PolarHBondContact O-NE2 3.38Å
167	D	87.7	Confident	85.7	Confident	79 Å²	79	64.6 Å²	64.6	42%	0.422	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.9	-179.5	-57.9	-48.1	0	0	0	112.3	V163 S164 F165	V163-D167 HydrophobicContact CG1-CB 4.1Å; S164-D167 PolarHBondContact N-OD2 2.88Å; S164-D167 PolarHBondContact O-N 2.9Å; S164-D167 PolarHBondContact OG-OD2 3.23Å; F165-D167 VanDerWaalsContact C-N 3.31Å
168	V	89.2	Confident	87.2	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.03	33%	0.333	C	S	.	.			trans	-86	133.8	175.1	-173.5	0	0	0	0	109.1	K175 L214 L215 A218	V168-K175 VanDerWaalsContact O-CE 3.24Å; V168-K175 WeakPolarHBondContact O-CE 3.49Å; V168-K175 PolarHBondContact O-NZ 3.24Å; V168-L214 HydrophobicContact CG2-CD2 4.14Å; V168-L214 HydrophobicContact CG2-CG 4.03Å; V168-L215 HydrophobicContact CG1-CD2 3.71Å; V168-L215 HydrophobicContact CG1-CG 4.16Å; V168-L215 HydrophobicContact CG2-CD2 4.48Å; V168-A218 HydrophobicContact CG2-CB 3.58Å
169	Q	89.8	Confident	88.6	Confident	63 Å²	63	65 Å²	65	29%	0.294	34%	0.341	S	S	.	.			trans	-128.9	146	179.8	-64	-63.1	-30.3	0	0	110.5	S166 A341 L342 L345	S166-Q169 PolarHBondContact O-NE2 3.38Å; Q169-A341 HydrophobicContact CB-CB 4.2Å; Q169-L342 HydrophobicContact CB-CD2 4Å; Q169-L342 HydrophobicContact CB-CG 4.25Å; Q169-L345 HydrophobicContact CG-CD2 4.11Å
170	G	85.7	Confident	89.1	Confident	7 Å²	7	64.8 Å²	64.8	7%	0.072	34%	0.343	C	S	.	.	S	Bend	trans	82.6	13.5	171.3	0	0	0	0	0	117.5
171	C	87.2	Confident	89.8	Confident	15 Å²	15	58.5 Å²	58.5	10%	0.101	31%	0.31	C	S	.	.			trans	-129.8	46.9	178.1	-58.4	0	0	0	0	111.6	E173 V174 K175	C171-E173 PolarHBondContact O-N 3.21Å; C171-V174 HydrophobicContact CB-CB 4.16Å; C171-V174 HydrophobicContact CB-CG2 4.48Å; C171-V174 PolarHBondContact O-N 3.33Å; C171-K175 WeakPolarHBondContact O-CG 3.34Å; C171-K175 PolarHBondContact O-N 3.5Å
172	D	89	Confident	90.4	Very high	85 Å²	85	57.9 Å²	57.9	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-68.3	-32.7	-169	-61.1	-34.4	0	0	0	113.7	K175 K176	D172-K175 PolarHBondContact O-N 2.7Å; D172-K175 IonicContact OD1-NZ 3.66Å; D172-K176 WeakPolarHBondContact O-CG 3.33Å; D172-K176 PolarHBondContact O-N 3Å; D172-K176 VanDerWaalsContact O-N 3.17Å
173	E	89.3	Confident	90.7	Very high	151 Å²	151	52.8 Å²	52.8	71%	0.706	28%	0.277	S	S	*	.	H	α-helix	trans	-63.8	-47.4	173	-63.2	-178.2	166.9	0	0	111.1	C171 K175 K176 E177	C171-E173 PolarHBondContact O-N 3.21Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-K175 PolarHBondContact O-N 2.89Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 3.05Å; E173-E177 PolarHBondContact O-N 3.27Å
174	V	92.6	Very high	90.6	Very high	14 Å²	14	52.9 Å²	52.9	9%	0.085	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-40.1	177.5	176.3	0	0	0	0	111.3	C171 K176 E177 L178 L215 I329 V331	C171-V174 HydrophobicContact CB-CB 4.16Å; C171-V174 HydrophobicContact CB-CG2 4.48Å; C171-V174 PolarHBondContact O-N 3.33Å; V174-K176 VanDerWaalsContact C-N 3.29Å; V174-K176 PolarHBondContact O-N 3.46Å; V174-E177 PolarHBondContact O-N 2.94Å; V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.41Å; V174-L178 WeakPolarHBondContact O-CG 3.46Å; V174-L178 PolarHBondContact O-N 3.27Å; V174-L215 HydrophobicContact CG1-CD1 3.91Å; V174-L215 HydrophobicContact CG1-CD2 4.42Å; V174-I329 HydrophobicContact CB-CG2 4.49Å; V174-I329 HydrophobicContact CG1-CG2 3.87Å; V174-I329 HydrophobicContact CG2-CG2 4.38Å; V174-V331 HydrophobicContact CG1-CG2 4.08Å; V174-V331 HydrophobicContact CG2-CG1 4.46Å; V174-V331 HydrophobicContact CG2-CG2 4.42Å
175	K	92.5	Very high	90.6	Very high	28 Å²	28	51.7 Å²	51.7	12%	0.122	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-41.2	175.6	-74.7	178.4	-172.1	177.3	0	111.6	F165 V168 C171 D172 E173 E177 L178 V179 L215	F165-K175 WeakPolarHBondContact O-CE 3.45Å; F165-K175 PolarHBondContact O-NZ 3.39Å; V168-K175 VanDerWaalsContact O-CE 3.24Å; V168-K175 WeakPolarHBondContact O-CE 3.49Å; V168-K175 PolarHBondContact O-NZ 3.24Å; C171-K175 WeakPolarHBondContact O-CG 3.34Å; C171-K175 PolarHBondContact O-N 3.5Å; D172-K175 PolarHBondContact O-N 2.7Å; D172-K175 IonicContact OD1-NZ 3.66Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-K175 PolarHBondContact O-N 2.89Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 3.05Å; K175-L178 CarbonylContact O-C 3.54Å; K175-L178 PolarHBondContact O-N 3.33Å; K175-L178 VanDerWaalsContact O-N 3.17Å; K175-V179 VanDerWaalsContact O-CG2 3.32Å; K175-V179 WeakPolarHBondContact O-CG2 3.36Å; K175-V179 PolarHBondContact O-N 2.81Å; K175-L215 HydrophobicContact CG-CD2 4.5Å
176	K	92.7	Very high	90.5	Very high	155 Å²	155	56 Å²	56	67%	0.674	28%	0.281	S	S	*	.	H	α-helix	trans	-59.9	-43	179.1	-72	171.2	-175.4	175.2	0	111.8	D172 E173 V174 L178 V179	D172-K176 WeakPolarHBondContact O-CG 3.33Å; D172-K176 PolarHBondContact O-N 3Å; D172-K176 VanDerWaalsContact O-N 3.17Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 3.05Å; V174-K176 VanDerWaalsContact C-N 3.29Å; V174-K176 PolarHBondContact O-N 3.46Å; K176-L178 VanDerWaalsContact C-N 3.35Å; K176-V179 PolarHBondContact O-N 2.81Å
177	E	91.8	Very high	90.5	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-67.7	-35.6	176.1	-65	-174.8	-169.8	0	0	112.3	E173 V174 K175 V179 D180 I329	E173-E177 PolarHBondContact O-N 3.27Å; V174-E177 PolarHBondContact O-N 2.94Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 3.05Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 2.68Å; E177-D180 PolarHBondContact O-N 3.48Å; E177-I329 HydrophobicContact CB-CD1 3.93Å; E177-I329 WeakPolarHBondContact OE2-CG1 3.35Å; E177-I329 WeakPolarHBondContact OE2-CG2 3.2Å
178	L	93.8	Very high	90.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.5	-18.2	178.4	-69.3	175.9	0	0	0	113.9	F165 V174 K175 K176 D180 V181 V182 L204 L215 V219 I329	F165-L178 HydrophobicContact CZ-CB 3.98Å; V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.41Å; V174-L178 WeakPolarHBondContact O-CG 3.46Å; V174-L178 PolarHBondContact O-N 3.27Å; K175-L178 CarbonylContact O-C 3.54Å; K175-L178 PolarHBondContact O-N 3.33Å; K175-L178 VanDerWaalsContact O-N 3.17Å; K176-L178 VanDerWaalsContact C-N 3.35Å; L178-D180 PolarHBondContact O-N 3.42Å; L178-V181 HydrophobicContact CD2-CG2 4.24Å; L178-V181 WeakPolarHBondContact O-CB 3.39Å; L178-V181 PolarHBondContact O-N 3.11Å; L178-V181 VanDerWaalsContact O-N 3.16Å; L178-V182 WeakPolarHBondContact O-CG2 3.25Å; L178-V182 PolarHBondContact O-N 3.13Å; L178-L204 HydrophobicContact CD2-CD2 4.38Å; L178-L215 HydrophobicContact CD1-CB 4.28Å; L178-L215 HydrophobicContact CD1-CD2 4.03Å; L178-V219 HydrophobicContact CB-CG2 3.97Å; L178-V219 HydrophobicContact CD1-CG2 3.94Å; L178-V219 HydrophobicContact CD2-CG2 4.18Å; L178-V219 HydrophobicContact CG-CG2 4.26Å; L178-I329 HydrophobicContact CD2-CD1 3.7Å; L178-I329 HydrophobicContact CG-CD1 4.2Å
179	V	94	Very high	90.2	Very high	72 Å²	72	59.7 Å²	59.7	44%	0.436	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-36	172.5	167.4	0	0	0	0	111	F165 K175 K176 E177 V181 V182 E183	F165-V179 HydrophobicContact CD2-CG2 4.41Å; F165-V179 HydrophobicContact CE2-CG2 3.89Å; K175-V179 VanDerWaalsContact O-CG2 3.32Å; K175-V179 WeakPolarHBondContact O-CG2 3.36Å; K175-V179 PolarHBondContact O-N 2.81Å; K176-V179 PolarHBondContact O-N 2.81Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 2.68Å; V179-V181 VanDerWaalsContact C-N 3.29Å; V179-V181 PolarHBondContact O-N 3.43Å; V179-V182 WeakPolarHBondContact O-CB 3.39Å; V179-V182 PolarHBondContact O-N 3.37Å; V179-E183 PolarHBondContact O-N 2.92Å
180	D	90.7	Very high	90	Very high	96 Å²	96	61.9 Å²	61.9	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-41	175.1	-67.6	-18.5	0	0	0	110.8	E177 L178 V182 E183 F184	E177-D180 PolarHBondContact O-N 3.48Å; L178-D180 PolarHBondContact O-N 3.42Å; D180-V182 PolarHBondContact O-N 3.34Å; D180-E183 PolarHBondContact O-N 3.32Å; D180-F184 HydrophobicContact CB-CE2 4.16Å; D180-F184 HydrophobicContact CB-CZ 4.09Å; D180-F184 WeakPolarHBondContact O-CD1 3.49Å; D180-F184 VanDerWaalsContact O-CD2 3.23Å; D180-F184 WeakPolarHBondContact O-CD2 3.43Å; D180-F184 WeakPolarHBondContact O-CG 3.46Å; D180-F184 PolarHBondContact O-N 3.32Å
181	V	91.7	Very high	90.1	Very high	6 Å²	6	63.4 Å²	63.4	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-41.1	175.9	-176.4	0	0	0	0	111.5	L178 V179 F184 L185 V202 V219 I304	L178-V181 HydrophobicContact CD2-CG2 4.24Å; L178-V181 WeakPolarHBondContact O-CB 3.39Å; L178-V181 PolarHBondContact O-N 3.11Å; L178-V181 VanDerWaalsContact O-N 3.16Å; V179-V181 VanDerWaalsContact C-N 3.29Å; V179-V181 PolarHBondContact O-N 3.43Å; V181-F184 WeakPolarHBondContact O-CB 3.34Å; V181-F184 PolarHBondContact O-N 3.23Å; V181-L185 HydrophobicContact CG1-CD1 4.31Å; V181-L185 WeakPolarHBondContact O-CG 3.44Å; V181-L185 PolarHBondContact O-N 3.23Å; V181-L185 VanDerWaalsContact O-N 3.08Å; V181-V202 HydrophobicContact CG2-CG2 4.1Å; V181-V219 HydrophobicContact CG1-CG1 4.09Å; V181-I304 HydrophobicContact CG1-CD1 3.91Å; V181-I304 HydrophobicContact CG1-CG2 4.09Å
182	V	92.9	Very high	89.9	Confident	8 Å²	8	65 Å²	65	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.1	175	170.7	0	0	0	0	111.1	F165 L178 V179 D180 F184 L185 R186 V219 E222 A223	F165-V182 HydrophobicContact CE2-CG2 3.74Å; F165-V182 HydrophobicContact CZ-CG2 3.66Å; L178-V182 WeakPolarHBondContact O-CG2 3.25Å; L178-V182 PolarHBondContact O-N 3.13Å; V179-V182 WeakPolarHBondContact O-CB 3.39Å; V179-V182 PolarHBondContact O-N 3.37Å; D180-V182 PolarHBondContact O-N 3.34Å; V182-F184 VanDerWaalsContact C-N 3.31Å; V182-F184 PolarHBondContact O-N 3.41Å; V182-L185 PolarHBondContact O-N 3.47Å; V182-R186 HydrophobicContact CG1-CG 4.43Å; V182-R186 PolarHBondContact O-N 3.1Å; V182-V219 HydrophobicContact CG2-CB 4.46Å; V182-V219 HydrophobicContact CG2-CG1 3.94Å; V182-E222 HydrophobicContact CG1-CB 4.25Å; V182-E222 HydrophobicContact CG1-CG 3.77Å; V182-E222 HydrophobicContact CG2-CB 4.11Å; V182-E222 HydrophobicContact CG2-CG 4.18Å; V182-A223 HydrophobicContact CG1-CB 4.17Å
183	E	91.6	Very high	89.8	Confident	54 Å²	54	68.4 Å²	68.4	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-34.9	178.9	-177.4	65	-173.6	0	0	111.6	V179 D180 L185 N187 K190 F191	V179-E183 PolarHBondContact O-N 2.92Å; D180-E183 PolarHBondContact O-N 3.32Å; E183-L185 VanDerWaalsContact C-N 3.35Å; E183-N187 PolarHBondContact O-N 3.26Å; E183-N187 PolarHBondContact OE1-ND2 2.93Å; E183-K190 IonicContact OE1-NZ 3.65Å; E183-K190 PolarHBondContact OE1-NZ 3.18Å; E183-F191 HydrophobicContact CG-CE2 3.87Å; E183-F191 HydrophobicContact CG-CZ 3.69Å
184	F	89.4	Confident	89.7	Confident	37 Å²	37	68.1 Å²	68.1	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-38.5	172.7	-59.5	-27.7	0	0	0	112.7	D180 V181 V182 P188 F191 L198 P199 I304	D180-F184 HydrophobicContact CB-CE2 4.16Å; D180-F184 HydrophobicContact CB-CZ 4.09Å; D180-F184 WeakPolarHBondContact O-CD1 3.49Å; D180-F184 VanDerWaalsContact O-CD2 3.23Å; D180-F184 WeakPolarHBondContact O-CD2 3.43Å; D180-F184 WeakPolarHBondContact O-CG 3.46Å; D180-F184 PolarHBondContact O-N 3.32Å; V181-F184 WeakPolarHBondContact O-CB 3.34Å; V181-F184 PolarHBondContact O-N 3.23Å; V182-F184 VanDerWaalsContact C-N 3.31Å; V182-F184 PolarHBondContact O-N 3.41Å; F184-P188 WeakPolarHBondContact O-CA 3.4Å; F184-F191 HydrophobicContact CD1-CD1 4.09Å; F184-F191 AromaticContact CD1-CD2 3.81Å; F184-F191 HydrophobicContact CD1-CD2 3.81Å; F184-F191 AromaticContact CD1-CE1 3.82Å; F184-F191 HydrophobicContact CD1-CE1 3.82Å; F184-F191 AromaticContact CD1-CE2 3.54Å; F184-F191 HydrophobicContact CD1-CE2 3.54Å; F184-F191 HydrophobicContact CD1-CG 4.08Å; F184-F191 AromaticContact CD1-CZ 3.52Å; F184-F191 HydrophobicContact CD1-CZ 3.52Å; F184-F191 AromaticContact CE1-CD1 3.88Å; F184-F191 HydrophobicContact CE1-CD1 3.88Å; F184-F191 HydrophobicContact CE1-CD2 4.43Å; F184-F191 AromaticContact CE1-CE1 3.49Å; F184-F191 HydrophobicContact CE1-CE1 3.49Å; F184-F191 VanDerWaalsContact CE1-CE1 3.49Å; F184-F191 HydrophobicContact CE1-CE2 4.1Å; F184-F191 HydrophobicContact CE1-CG 4.33Å; F184-F191 AromaticContact CE1-CZ 3.61Å; F184-F191 HydrophobicContact CE1-CZ 3.61Å; F184-L198 HydrophobicContact CB-CD2 3.98Å; F184-L198 HydrophobicContact CD1-CD2 3.46Å; F184-L198 VanDerWaalsContact CD1-CD2 3.46Å; F184-L198 HydrophobicContact CD2-CD2 4.35Å; F184-L198 HydrophobicContact CE1-CD2 4.02Å; F184-L198 HydrophobicContact CG-CD2 3.67Å; F184-P199 HydrophobicContact CD2-CG 3.79Å; F184-P199 HydrophobicContact CE2-CG 3.64Å; F184-I304 HydrophobicContact CB-CD1 3.81Å; F184-I304 HydrophobicContact CD2-CD1 4.48Å
185	L	90.1	Very high	89.3	Confident	4 Å²	4	70.2 Å²	70.2	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-74.6	-39.1	178.1	-70.1	167	0	0	0	112.5	V181 V182 E183 V219 A223 V225 L261 I304	V181-L185 HydrophobicContact CG1-CD1 4.31Å; V181-L185 WeakPolarHBondContact O-CG 3.44Å; V181-L185 PolarHBondContact O-N 3.23Å; V181-L185 VanDerWaalsContact O-N 3.08Å; V182-L185 PolarHBondContact O-N 3.47Å; E183-L185 VanDerWaalsContact C-N 3.35Å; L185-V219 HydrophobicContact CD1-CG1 4.05Å; L185-A223 HydrophobicContact CB-CB 3.7Å; L185-A223 HydrophobicContact CD1-CB 3.92Å; L185-A223 HydrophobicContact CG-CB 4.47Å; L185-V225 HydrophobicContact CB-CG1 4.28Å; L185-V225 HydrophobicContact CD1-CG2 4.1Å; L185-V225 HydrophobicContact CD2-CG2 4.46Å; L185-L261 HydrophobicContact CD1-CB 4.48Å; L185-L261 HydrophobicContact CD1-CD1 4.02Å; L185-I304 HydrophobicContact CD2-CB 4.06Å; L185-I304 HydrophobicContact CD2-CD1 3.77Å; L185-I304 HydrophobicContact CD2-CG1 3.75Å; L185-I304 HydrophobicContact CG-CD1 3.77Å; L185-I304 HydrophobicContact CG-CG1 4.32Å
186	R	90.4	Very high	89	Confident	114 Å²	114	70.9 Å²	70.9	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-44.5	179.6	-76.9	-173.5	174.6	173.3	2.3	112.4	V182 E222 A223	V182-R186 HydrophobicContact CG1-CG 4.43Å; V182-R186 PolarHBondContact O-N 3.1Å; R186-E222 IonicContact CZ-OE1 2.77Å; R186-E222 PolarHBondContact NE-O 2.95Å; R186-E222 PolarHBondContact NH2-O 3.39Å; R186-E222 IonicContact NH2-OE1 3.64Å; R186-E222 PolarHBondContact NH2-OE1 3.19Å; R186-A223 HydrophobicContact CG-CB 4.37Å
187	N	87.8	Confident	88.5	Confident	79 Å²	79	72.8 Å²	72.8	42%	0.422	37%	0.37	S	S	.	.			trans	-130.8	60.7	-171.9	-66.3	-48.1	0	0	0	112.8	E183 E189 K190 F191	E183-N187 PolarHBondContact O-N 3.26Å; E183-N187 PolarHBondContact OE1-ND2 2.93Å; N187-E189 PolarHBondContact O-N 3.47Å; N187-K190 HydrophobicContact CB-CB 4.21Å; N187-K190 HydrophobicContact CB-CD 4.47Å; N187-K190 WeakPolarHBondContact O-CB 3.4Å; N187-K190 PolarHBondContact O-N 2.99Å; N187-F191 WeakPolarHBondContact O-CD2 3.29Å
188	P	84.9	Confident	88.2	Confident	24 Å²	24	68.6 Å²	68.6	16%	0.156	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-31.6	-177.2	24	-33.8	0	0	0	112.9	F184 K190 F191 N192 L198	F184-P188 WeakPolarHBondContact O-CA 3.4Å; P188-K190 VanDerWaalsContact C-N 3.34Å; P188-K190 PolarHBondContact O-N 2.51Å; P188-F191 PolarHBondContact O-N 2.9Å; P188-N192 PolarHBondContact O-N 2.79Å; P188-N192 VanDerWaalsContact O-N 3.16Å; P188-N192 PolarHBondContact O-ND2 2.92Å; P188-N192 VanDerWaalsContact O-ND2 3.08Å; P188-L198 HydrophobicContact CB-CD1 4.12Å
189	E	85.9	Confident	87.8	Confident	141 Å²	141	69.4 Å²	69.4	66%	0.659	36%	0.356	S	S	*	.	H	α-helix	trans	-62.3	-37.9	179.9	-62.1	-170.3	171.5	0	0	113.3	N187 F191 N192 Q193	N187-E189 PolarHBondContact O-N 3.47Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 2.98Å; E189-N192 PolarHBondContact O-N 3.39Å; E189-Q193 WeakPolarHBondContact O-CG 3.47Å; E189-Q193 PolarHBondContact O-N 3.18Å
190	K	87	Confident	87.6	Confident	109 Å²	109	67.3 Å²	67.3	47%	0.474	34%	0.341	S	S	.	.	H	α-helix	trans	-57.5	-42.5	-180	179	-175.6	172.3	-175.2	0	111.7	E183 N187 P188	E183-K190 IonicContact OE1-NZ 3.65Å; E183-K190 PolarHBondContact OE1-NZ 3.18Å; N187-K190 HydrophobicContact CB-CB 4.21Å; N187-K190 HydrophobicContact CB-CD 4.47Å; N187-K190 WeakPolarHBondContact O-CB 3.4Å; N187-K190 PolarHBondContact O-N 2.99Å; P188-K190 VanDerWaalsContact C-N 3.34Å; P188-K190 PolarHBondContact O-N 2.51Å
191	F	86.2	Confident	87.7	Confident	39 Å²	39	62.7 Å²	62.7	17%	0.171	32%	0.317	C	S	.	.	H	α-helix	trans	-76.4	-37.6	178.3	-61.8	-81.2	0	0	0	112	E183 F184 N187 P188 E189 Q193 I194 G195 A196 L198	E183-F191 HydrophobicContact CG-CE2 3.87Å; E183-F191 HydrophobicContact CG-CZ 3.69Å; F184-F191 HydrophobicContact CD1-CD1 4.09Å; F184-F191 AromaticContact CD1-CD2 3.81Å; F184-F191 HydrophobicContact CD1-CD2 3.81Å; F184-F191 AromaticContact CD1-CE1 3.82Å; F184-F191 HydrophobicContact CD1-CE1 3.82Å; F184-F191 AromaticContact CD1-CE2 3.54Å; F184-F191 HydrophobicContact CD1-CE2 3.54Å; F184-F191 HydrophobicContact CD1-CG 4.08Å; F184-F191 AromaticContact CD1-CZ 3.52Å; F184-F191 HydrophobicContact CD1-CZ 3.52Å; F184-F191 AromaticContact CE1-CD1 3.88Å; F184-F191 HydrophobicContact CE1-CD1 3.88Å; F184-F191 HydrophobicContact CE1-CD2 4.43Å; F184-F191 AromaticContact CE1-CE1 3.49Å; F184-F191 HydrophobicContact CE1-CE1 3.49Å; F184-F191 VanDerWaalsContact CE1-CE1 3.49Å; F184-F191 HydrophobicContact CE1-CE2 4.1Å; F184-F191 HydrophobicContact CE1-CG 4.33Å; F184-F191 AromaticContact CE1-CZ 3.61Å; F184-F191 HydrophobicContact CE1-CZ 3.61Å; N187-F191 WeakPolarHBondContact O-CD2 3.29Å; P188-F191 PolarHBondContact O-N 2.9Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 2.98Å; F191-Q193 VanDerWaalsContact C-N 3.31Å; F191-Q193 PolarHBondContact O-N 2.84Å; F191-I194 PolarHBondContact O-N 3.43Å; F191-G195 PolarHBondContact O-N 3.37Å; F191-A196 HydrophobicContact CB-CB 4.29Å; F191-A196 PolarHBondContact O-N 2.77Å; F191-L198 HydrophobicContact CB-CD2 3.6Å; F191-L198 HydrophobicContact CB-CG 4.33Å; F191-L198 HydrophobicContact CD1-CD2 4.41Å; F191-L198 HydrophobicContact CD2-CD2 4.05Å; F191-L198 HydrophobicContact CG-CD2 3.76Å
192	N	83.9	Confident	87.8	Confident	47 Å²	47	62.5 Å²	62.5	25%	0.251	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-36.2	176.4	-74.3	-37.6	0	0	0	112.6	P188 E189 I194 G195	P188-N192 PolarHBondContact O-N 2.79Å; P188-N192 VanDerWaalsContact O-N 3.16Å; P188-N192 PolarHBondContact O-ND2 2.92Å; P188-N192 VanDerWaalsContact O-ND2 3.08Å; E189-N192 PolarHBondContact O-N 3.39Å; N192-I194 VanDerWaalsContact C-N 3.33Å; N192-I194 PolarHBondContact O-N 3.35Å; N192-G195 PolarHBondContact O-N 3.04Å; N192-G195 VanDerWaalsContact O-N 3.11Å
193	Q	85.9	Confident	88	Confident	158 Å²	158	62.1 Å²	62.1	74%	0.738	31%	0.313	S	S	*	.	H	α-helix	trans	-64.1	-35.4	177.7	-74.7	175.1	18.1	0	0	113	E189 F191 G195	E189-Q193 WeakPolarHBondContact O-CG 3.47Å; E189-Q193 PolarHBondContact O-N 3.18Å; F191-Q193 VanDerWaalsContact C-N 3.31Å; F191-Q193 PolarHBondContact O-N 2.84Å; Q193-G195 VanDerWaalsContact C-N 3.26Å
194	I	89	Confident	88.2	Confident	144 Å²	144	59.5 Å²	59.5	74%	0.738	30%	0.301	S	S	*	.	H	α-helix	trans	-78.5	-15.4	176.2	-62.7	171.3	0	0	0	111.1	F191 N192	F191-I194 PolarHBondContact O-N 3.43Å; N192-I194 VanDerWaalsContact C-N 3.33Å; N192-I194 PolarHBondContact O-N 3.35Å
195	G	84	Confident	88.5	Confident	58 Å²	58	58.3 Å²	58.3	60%	0.598	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	15.5	-174.8	0	0	0	0	0	113.5	F191 N192 Q193	F191-G195 PolarHBondContact O-N 3.37Å; N192-G195 PolarHBondContact O-N 3.04Å; N192-G195 VanDerWaalsContact O-N 3.11Å; Q193-G195 VanDerWaalsContact C-N 3.26Å
196	A	85.1	Confident	88.7	Confident	42 Å²	42	58.6 Å²	58.6	35%	0.347	30%	0.3	S	S	.	.			trans	-68.5	135.5	173.4	0	0	0	0	0	110	F191	F191-A196 HydrophobicContact CB-CB 4.29Å; F191-A196 PolarHBondContact O-N 2.77Å
197	K	82.2	Confident	88.9	Confident	196 Å²	196	55.5 Å²	55.5	85%	0.852	30%	0.295	S	S	*	.			trans	-87.6	114.3	172.9	-67.5	-177.4	-178.7	178	0	108.4
198	L	85.1	Confident	89.2	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.063	30%	0.302	C	S	.	.			trans	-65.5	140.7	175.3	-62.5	178.3	0	0	0	110.5	F184 P188 F191 K200 S299	F184-L198 HydrophobicContact CB-CD2 3.98Å; F184-L198 HydrophobicContact CD1-CD2 3.46Å; F184-L198 VanDerWaalsContact CD1-CD2 3.46Å; F184-L198 HydrophobicContact CD2-CD2 4.35Å; F184-L198 HydrophobicContact CE1-CD2 4.02Å; F184-L198 HydrophobicContact CG-CD2 3.67Å; P188-L198 HydrophobicContact CB-CD1 4.12Å; F191-L198 HydrophobicContact CB-CD2 3.6Å; F191-L198 HydrophobicContact CB-CG 4.33Å; F191-L198 HydrophobicContact CD1-CD2 4.41Å; F191-L198 HydrophobicContact CD2-CD2 4.05Å; F191-L198 HydrophobicContact CG-CD2 3.76Å; L198-K200 PolarHBondContact O-N 2.97Å; L198-S299 PolarHBondContact O-OG 3.28Å
199	P	86.1	Confident	89.6	Confident	17 Å²	17	56.4 Å²	56.4	11%	0.11	31%	0.311	C	S	.	.			trans	-61.4	130.1	174.2	27.1	-33.3	0	0	0	108.8	F184 D326 V327	F184-P199 HydrophobicContact CD2-CG 3.79Å; F184-P199 HydrophobicContact CE2-CG 3.64Å; P199-D326 WeakPolarHBondContact CB-OD1 3.35Å; P199-V327 HydrophobicContact CB-CG2 3.9Å
200	K	88.9	Confident	89.9	Confident	28 Å²	28	50.2 Å²	50.2	12%	0.122	28%	0.283	C	S	.	.	S	Bend	trans	-78.5	-31.8	179.8	-66.3	-153	-163.1	-176.4	0	111.7	L198 M294 D295 F297 V305 G323	L198-K200 PolarHBondContact O-N 2.97Å; K200-M294 HydrophobicContact CB-CE 4.04Å; K200-M294 WeakPolarHBondContact CD-O 3.35Å; K200-M294 PolarHBondContact NZ-O 3.06Å; K200-D295 PolarHBondContact NZ-O 3.06Å; K200-F297 HydrophobicContact CB-CE2 4.16Å; K200-F297 HydrophobicContact CB-CZ 3.87Å; K200-F297 HydrophobicContact CD-CD2 4.32Å; K200-F297 HydrophobicContact CD-CE1 4.42Å; K200-F297 HydrophobicContact CD-CE2 3.78Å; K200-F297 HydrophobicContact CD-CZ 3.83Å; K200-F297 WeakPolarHBondContact CE-O 3.5Å; K200-F297 HydrophobicContact CG-CE2 4.09Å; K200-F297 HydrophobicContact CG-CZ 4.23Å; K200-F297 PolarHBondContact NZ-O 3.49Å; K200-V305 PolarHBondContact O-N 2.83Å; K200-G323 WeakPolarHBondContact CD-O 3.34Å
201	G	93.1	Very high	90.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.6	-177.9	0	0	0	0	0	113.4	V305 R324 F325 D326 V327	G201-V305 CarbonylContact C-O 3.57Å; G201-V305 WeakPolarHBondContact CA-O 3.39Å; G201-R324 WeakPolarHBondContact CA-O 3.27Å; G201-R324 PolarHBondContact N-O 2.58Å; G201-F325 WeakPolarHBondContact O-CA 3.43Å; G201-D326 PolarHBondContact O-N 2.66Å; G201-V327 PolarHBondContact O-N 2.94Å
202	V	95.1	Very high	90.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	178.2	-175.6	0	0	0	0	108.1	V181 V305 L306 G307 V327 I329	V181-V202 HydrophobicContact CG2-CG2 4.1Å; V202-V305 PolarHBondContact N-O 3.37Å; V202-L306 HydrophobicContact CB-CD2 3.56Å; V202-L306 HydrophobicContact CG1-CD2 4.3Å; V202-L306 HydrophobicContact CG2-CD2 4.07Å; V202-L306 CarbonylContact O-C 3.57Å; V202-L306 VanDerWaalsContact O-CA 3.31Å; V202-L306 WeakPolarHBondContact O-CA 3.37Å; V202-G307 PolarHBondContact O-N 3.16Å; V202-V327 CarbonylContact C-O 3.45Å; V202-V327 WeakPolarHBondContact CA-O 3.4Å; V202-V327 HydrophobicContact CB-CB 4.38Å; V202-V327 HydrophobicContact CG1-CB 4.08Å; V202-V327 HydrophobicContact CG1-CG1 3.95Å; V202-V327 HydrophobicContact CG2-CB 4.12Å; V202-I329 HydrophobicContact CG1-CD1 3.55Å; V202-I329 HydrophobicContact CG1-CG1 3.74Å
203	L	95.5	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117	179.9	-176.6	63.2	0	0	0	110.6	V205 I267 G307 T309 L315 L320 F325 V327 Q328 I329	L203-V205 HydrophobicContact CD2-CG2 3.83Å; L203-V205 HydrophobicContact CG-CG2 3.73Å; L203-I267 HydrophobicContact CD1-CD1 3.27Å; L203-I267 HydrophobicContact CD1-CG1 4.05Å; L203-G307 CarbonylContact C-O 3.54Å; L203-G307 WeakPolarHBondContact CA-O 3.31Å; L203-T309 HydrophobicContact CD1-CG2 3.88Å; L203-T309 HydrophobicContact CD2-CG2 4.19Å; L203-T309 HydrophobicContact CG-CG2 4.18Å; L203-L315 HydrophobicContact CD2-CD2 3.95Å; L203-L320 HydrophobicContact CD2-CD2 3.62Å; L203-F325 HydrophobicContact CB-CB 4.17Å; L203-F325 HydrophobicContact CB-CD1 4.24Å; L203-F325 HydrophobicContact CB-CG 4.38Å; L203-V327 PolarHBondContact N-O 2.99Å; L203-Q328 HydrophobicContact CB-CG 4.22Å; L203-Q328 HydrophobicContact CD2-CG 4.36Å; L203-Q328 WeakPolarHBondContact O-CA 3.22Å; L203-I329 PolarHBondContact O-N 3.1Å
204	L	96.7	Very high	91.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112	170.6	-56.9	-177.9	0	0	0	109.5	L178 K212 F263 G307 A308 T309 I329 V331	L178-L204 HydrophobicContact CD2-CD2 4.38Å; L204-K212 HydrophobicContact CB-CD 4.19Å; L204-K212 HydrophobicContact CB-CG 4.35Å; L204-K212 HydrophobicContact CD1-CB 4.32Å; L204-F263 HydrophobicContact CD1-CE2 4.37Å; L204-G307 PolarHBondContact N-O 3.4Å; L204-A308 HydrophobicContact CB-CB 4.46Å; L204-A308 WeakPolarHBondContact O-CA 3.26Å; L204-T309 PolarHBondContact O-N 3.29Å; L204-I329 WeakPolarHBondContact CA-O 3.49Å; L204-I329 HydrophobicContact CD2-CB 4.06Å; L204-I329 HydrophobicContact CD2-CG2 4.47Å; L204-V331 HydrophobicContact CB-CG2 4.33Å; L204-V331 HydrophobicContact CD2-CG2 4.33Å
205	V	95.8	Very high	91.8	Very high	11 Å²	11	34 Å²	34	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	-178.7	-177.4	0	0	0	0	109.5	L203 T309 A312 I329 H330 V331	L203-V205 HydrophobicContact CD2-CG2 3.83Å; L203-V205 HydrophobicContact CG-CG2 3.73Å; V205-T309 HydrophobicContact CG1-CG2 4.49Å; V205-T309 HydrophobicContact CG2-CG2 3.95Å; V205-A312 HydrophobicContact CG1-CB 3.71Å; V205-A312 HydrophobicContact CG2-CB 3.96Å; V205-I329 PolarHBondContact N-O 3.01Å; V205-H330 CarbonylContact O-C 3.59Å; V205-H330 VanDerWaalsContact O-CA 3.3Å; V205-H330 WeakPolarHBondContact O-CA 3.23Å; V205-V331 PolarHBondContact O-N 3.38Å
206	G	94.5	Very high	92.3	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	19%	0.189	C	C	.	.			trans	172.5	169.7	173.8	0	0	0	0	0	113	K212 T309 N310 V331	G206-K212 PolarHBondContact O-NZ 3.2Å; G206-T309 PolarHBondContact N-O 2.98Å; G206-N310 WeakPolarHBondContact O-CA 3.34Å; G206-N310 PolarHBondContact O-OD1 2.97Å; G206-V331 WeakPolarHBondContact CA-O 3.43Å
207	P	94	Very high	92.8	Very high	50 Å²	50	32.4 Å²	32.4	33%	0.325	19%	0.186	S	C	.	.			trans	-59.3	161.3	-179.2	21.6	-28.1	0	0	0	112.3	V210 K212 P333	P207-V210 HydrophobicContact CG-CG1 3.72Å; P207-V210 VanDerWaalsContact O-CG2 3.31Å; P207-V210 WeakPolarHBondContact O-CG2 3.46Å; P207-K212 PolarHBondContact O-NZ 3.45Å; P207-P333 HydrophobicContact CG-CG 3.86Å
208	P	93.4	Very high	93.4	Very high	87 Å²	87	23.1 Å²	23.1	57%	0.565	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	153.1	174.4	28.1	-35	0	0	0	110.8	V210 T369	P208-V210 VanDerWaalsContact C-N 3.33Å; P208-V210 PolarHBondContact O-N 2.94Å; P208-T369 WeakPolarHBondContact O-CG2 3.16Å
209	G	93.4	Very high	93.9	Very high	34 Å²	34	22.5 Å²	22.5	35%	0.351	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-1	174	0	0	0	0	0	117	G211 G370 A371	G209-G211 VanDerWaalsContact C-N 3.27Å; G209-G211 PolarHBondContact O-N 3.35Å; G209-G370 PolarHBondContact O-N 3.24Å; G209-A371 PolarHBondContact O-N 3.02Å
210	V	93.8	Very high	94.3	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.067	14%	0.138	C	C	.	.	S	Bend	trans	-78.2	-5	175.4	-58.9	0	0	0	0	114.5	P207 P208 K212 V331 T369	P207-V210 HydrophobicContact CG-CG1 3.72Å; P207-V210 VanDerWaalsContact O-CG2 3.31Å; P207-V210 WeakPolarHBondContact O-CG2 3.46Å; P208-V210 VanDerWaalsContact C-N 3.33Å; P208-V210 PolarHBondContact O-N 2.94Å; V210-K212 HydrophobicContact CG2-CG 3.81Å; V210-V331 HydrophobicContact CB-CG1 3.98Å; V210-V331 HydrophobicContact CG2-CB 3.95Å; V210-V331 HydrophobicContact CG2-CG1 3.53Å; V210-T369 HydrophobicContact CG1-CG2 3.95Å
211	G	93.5	Very high	94.5	Very high	28 Å²	28	21.1 Å²	21.1	29%	0.289	14%	0.14	S	C	.	.			trans	89.8	28.8	176.6	0	0	0	0	0	115.6	G209 T213 L214 L215	G209-G211 VanDerWaalsContact C-N 3.27Å; G209-G211 PolarHBondContact O-N 3.35Å; G211-T213 VanDerWaalsContact C-N 3.35Å; G211-T213 PolarHBondContact O-N 3.44Å; G211-L214 WeakPolarHBondContact O-CB 3.49Å; G211-L214 PolarHBondContact O-N 3.25Å; G211-L214 VanDerWaalsContact O-N 3.07Å; G211-L215 PolarHBondContact O-N 3.25Å
212	K	95.3	Very high	94.6	Very high	14 Å²	14	24 Å²	24	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-52.6	-48.1	175.9	-62.8	-173.9	-70.2	-83.5	0	113	L204 G206 P207 V210 L214 L215 A216 A308 N310 V331	L204-K212 HydrophobicContact CB-CD 4.19Å; L204-K212 HydrophobicContact CB-CG 4.35Å; L204-K212 HydrophobicContact CD1-CB 4.32Å; G206-K212 PolarHBondContact O-NZ 3.2Å; P207-K212 PolarHBondContact O-NZ 3.45Å; V210-K212 HydrophobicContact CG2-CG 3.81Å; K212-L214 VanDerWaalsContact C-N 3.33Å; K212-L214 PolarHBondContact O-N 3.23Å; K212-L215 PolarHBondContact O-N 3.18Å; K212-A216 PolarHBondContact O-N 3.35Å; K212-A308 HydrophobicContact CB-CB 4.13Å; K212-A308 HydrophobicContact CD-CB 4.05Å; K212-N310 PolarHBondContact NZ-OD1 2.95Å; K212-V331 HydrophobicContact CG-CB 4.47Å; K212-V331 HydrophobicContact CG-CG2 4.4Å
213	T	93.9	Very high	94.4	Very high	44 Å²	44	24.3 Å²	24.3	27%	0.27	16%	0.155	S	C	.	.	H	α-helix	trans	-64.8	-36.4	177	-38.3	0	0	0	0	112	G211 K217 Y229 F263 D265	G211-T213 VanDerWaalsContact C-N 3.35Å; G211-T213 PolarHBondContact O-N 3.44Å; T213-K217 WeakPolarHBondContact O-CG 3.35Å; T213-K217 PolarHBondContact O-N 3.38Å; T213-K217 VanDerWaalsContact O-N 3.13Å; T213-Y229 HydrophobicContact CG2-CE2 3.98Å; T213-F263 HydrophobicContact CG2-CD1 4.45Å; T213-F263 HydrophobicContact CG2-CE1 3.79Å; T213-F263 HydrophobicContact CG2-CZ 4.39Å; T213-D265 PolarHBondContact OG1-OD2 3.3Å
214	L	93.8	Very high	94.3	Very high	72 Å²	72	32.5 Å²	32.5	38%	0.377	19%	0.194	S	C	.	.	H	α-helix	trans	-69.8	-41.1	177.5	-173.3	71.5	0	0	0	111.3	V163 V168 G211 K212 K217 A218	V163-L214 HydrophobicContact CG1-CD1 3.98Å; V168-L214 HydrophobicContact CG2-CD2 4.14Å; V168-L214 HydrophobicContact CG2-CG 4.03Å; G211-L214 WeakPolarHBondContact O-CB 3.49Å; G211-L214 PolarHBondContact O-N 3.25Å; G211-L214 VanDerWaalsContact O-N 3.07Å; K212-L214 VanDerWaalsContact C-N 3.33Å; K212-L214 PolarHBondContact O-N 3.23Å; L214-K217 PolarHBondContact O-N 2.93Å; L214-A218 WeakPolarHBondContact O-CB 3.38Å; L214-A218 PolarHBondContact O-N 3.16Å
215	L	95	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-46.4	173.5	-80.8	164.9	0	0	0	111.2	V168 V174 K175 L178 G211 K212 K217 A218 V219 V331	V168-L215 HydrophobicContact CG1-CD2 3.71Å; V168-L215 HydrophobicContact CG1-CG 4.16Å; V168-L215 HydrophobicContact CG2-CD2 4.48Å; V174-L215 HydrophobicContact CG1-CD1 3.91Å; V174-L215 HydrophobicContact CG1-CD2 4.42Å; K175-L215 HydrophobicContact CG-CD2 4.5Å; L178-L215 HydrophobicContact CD1-CB 4.28Å; L178-L215 HydrophobicContact CD1-CD2 4.03Å; G211-L215 PolarHBondContact O-N 3.25Å; K212-L215 PolarHBondContact O-N 3.18Å; L215-K217 PolarHBondContact O-N 2.96Å; L215-A218 WeakPolarHBondContact O-CB 3.44Å; L215-A218 PolarHBondContact O-N 3.21Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L215-V219 WeakPolarHBondContact O-CG2 3.29Å; L215-V219 PolarHBondContact O-N 3.31Å; L215-V331 HydrophobicContact CD1-CG1 3.88Å; L215-V331 HydrophobicContact CD1-CG2 4.19Å
216	A	94.9	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-42.7	178	0	0	0	0	0	112.6	K212 A218 V219 S220 F227 L261 F263 L306	K212-A216 PolarHBondContact O-N 3.35Å; A216-A218 VanDerWaalsContact C-N 3.32Å; A216-A218 PolarHBondContact O-N 3.28Å; A216-V219 PolarHBondContact O-N 3.16Å; A216-S220 PolarHBondContact O-N 3.2Å; A216-S220 PolarHBondContact O-OG 3.12Å; A216-F227 HydrophobicContact CB-CE2 4.04Å; A216-F227 HydrophobicContact CB-CZ 4.43Å; A216-L261 WeakPolarHBondContact O-CD2 3.48Å; A216-F263 HydrophobicContact CB-CB 4.27Å; A216-F263 HydrophobicContact CB-CD1 4.48Å; A216-F263 HydrophobicContact CB-CD2 3.17Å; A216-F263 HydrophobicContact CB-CE2 3.49Å; A216-F263 VanDerWaalsContact CB-CE2 3.49Å; A216-F263 HydrophobicContact CB-CG 3.73Å; A216-F263 HydrophobicContact CB-CZ 4.25Å; A216-L306 HydrophobicContact CB-CD1 3.86Å
217	K	94.9	Very high	94	Very high	66 Å²	66	33.5 Å²	33.5	29%	0.287	20%	0.199	S	C	.	.	H	α-helix	trans	-61.2	-41.7	173.1	-71.6	-175.8	175.5	-167.2	0	111.8	T161 V163 T213 L214 L215 V219 S220 G221 F227	T161-K217 HydrophobicContact CG2-CB 4.33Å; T161-K217 HydrophobicContact CG2-CD 4.45Å; T161-K217 HydrophobicContact CG2-CG 4.15Å; T161-K217 PolarHBondContact OG1-O 2.8Å; V163-K217 HydrophobicContact CB-CB 4.25Å; T213-K217 WeakPolarHBondContact O-CG 3.35Å; T213-K217 PolarHBondContact O-N 3.38Å; T213-K217 VanDerWaalsContact O-N 3.13Å; L214-K217 PolarHBondContact O-N 2.93Å; L215-K217 PolarHBondContact O-N 2.96Å; K217-V219 VanDerWaalsContact C-N 3.34Å; K217-V219 PolarHBondContact O-N 3.33Å; K217-S220 WeakPolarHBondContact CA-OG 3.5Å; K217-S220 PolarHBondContact O-N 2.92Å; K217-S220 PolarHBondContact O-OG 3.19Å; K217-G221 PolarHBondContact O-N 3.19Å; K217-F227 HydrophobicContact CD-CE1 4.45Å; K217-F227 HydrophobicContact CG-CD1 4.3Å; K217-F227 HydrophobicContact CG-CE1 3.72Å; K217-F227 HydrophobicContact CG-CE2 4.2Å; K217-F227 HydrophobicContact CG-CZ 3.67Å
218	A	94.6	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-36.5	177.6	0	0	0	0	0	112.9	V163 F165 V168 L214 L215 A216 E222	V163-A218 HydrophobicContact CG1-CB 4.16Å; V163-A218 WeakPolarHBondContact O-CA 3.47Å; F165-A218 HydrophobicContact CD1-CB 3.63Å; F165-A218 HydrophobicContact CE1-CB 4.05Å; V168-A218 HydrophobicContact CG2-CB 3.58Å; L214-A218 WeakPolarHBondContact O-CB 3.38Å; L214-A218 PolarHBondContact O-N 3.16Å; L215-A218 WeakPolarHBondContact O-CB 3.44Å; L215-A218 PolarHBondContact O-N 3.21Å; L215-A218 VanDerWaalsContact O-N 3.15Å; A216-A218 VanDerWaalsContact C-N 3.32Å; A216-A218 PolarHBondContact O-N 3.28Å; A218-E222 VanDerWaalsContact O-CB 3.22Å; A218-E222 WeakPolarHBondContact O-CB 3.5Å; A218-E222 PolarHBondContact O-N 3.48Å
219	V	95.3	Very high	94.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-46.2	173.4	173.8	0	0	0	0	110.7	F165 L178 V181 V182 L185 L215 A216 K217 A223 L261	F165-V219 HydrophobicContact CE1-CB 4.47Å; F165-V219 HydrophobicContact CE1-CG2 3.71Å; F165-V219 HydrophobicContact CZ-CG2 3.81Å; L178-V219 HydrophobicContact CB-CG2 3.97Å; L178-V219 HydrophobicContact CD1-CG2 3.94Å; L178-V219 HydrophobicContact CD2-CG2 4.18Å; L178-V219 HydrophobicContact CG-CG2 4.26Å; V181-V219 HydrophobicContact CG1-CG1 4.09Å; V182-V219 HydrophobicContact CG2-CB 4.46Å; V182-V219 HydrophobicContact CG2-CG1 3.94Å; L185-V219 HydrophobicContact CD1-CG1 4.05Å; L215-V219 WeakPolarHBondContact O-CG2 3.29Å; L215-V219 PolarHBondContact O-N 3.31Å; A216-V219 PolarHBondContact O-N 3.16Å; K217-V219 VanDerWaalsContact C-N 3.34Å; K217-V219 PolarHBondContact O-N 3.33Å; V219-A223 VanDerWaalsContact O-CB 3.28Å; V219-A223 WeakPolarHBondContact O-CB 3.35Å; V219-A223 PolarHBondContact O-N 2.86Å; V219-L261 HydrophobicContact CB-CD2 3.98Å; V219-L261 HydrophobicContact CG1-CD2 3.85Å
220	S	94.1	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-42	178.2	46.1	0	0	0	0	113.1	T161 A216 K217 A223 Q224 V225 F227	T161-S220 PolarHBondContact OG1-OG 3.49Å; A216-S220 PolarHBondContact O-N 3.2Å; A216-S220 PolarHBondContact O-OG 3.12Å; K217-S220 WeakPolarHBondContact CA-OG 3.5Å; K217-S220 PolarHBondContact O-N 2.92Å; K217-S220 PolarHBondContact O-OG 3.19Å; S220-A223 CarbonylContact O-C 3.41Å; S220-A223 PolarHBondContact O-N 3.26Å; S220-Q224 WeakPolarHBondContact O-CA 3.47Å; S220-Q224 PolarHBondContact O-N 2.98Å; S220-V225 PolarHBondContact O-N 3.16Å; S220-V225 VanDerWaalsContact O-N 3.13Å; S220-F227 VanDerWaalsContact OG-CD2 3.24Å; S220-F227 WeakPolarHBondContact OG-CD2 3.48Å
221	G	94.4	Very high	93.9	Very high	16 Å²	16	30.5 Å²	30.5	17%	0.165	16%	0.163	C	C	.	.	H	α-helix	trans	-70.1	-36.5	179.5	0	0	0	0	0	112.5	T161 V163 K217 Q224	T161-G221 WeakPolarHBondContact O-CA 3.43Å; T161-G221 PolarHBondContact OG1-N 3.41Å; V163-G221 WeakPolarHBondContact O-CA 3.43Å; K217-G221 PolarHBondContact O-N 3.19Å; G221-Q224 WeakPolarHBondContact O-CG 3.43Å; G221-Q224 PolarHBondContact O-N 3.44Å
222	E	93.9	Very high	93.5	Very high	60 Å²	60	29.2 Å²	29.2	28%	0.28	15%	0.149	S	C	.	.	H	α-helix	trans	-65.8	-45.4	171.4	-169.3	65	-134.3	0	0	110.7	F165 V182 R186 A218 Q224	F165-E222 HydrophobicContact CD2-CB 4.34Å; F165-E222 HydrophobicContact CD2-CG 3.99Å; F165-E222 HydrophobicContact CE2-CB 4.41Å; F165-E222 HydrophobicContact CE2-CG 4.17Å; V182-E222 HydrophobicContact CG1-CB 4.25Å; V182-E222 HydrophobicContact CG1-CG 3.77Å; V182-E222 HydrophobicContact CG2-CB 4.11Å; V182-E222 HydrophobicContact CG2-CG 4.18Å; R186-E222 IonicContact CZ-OE1 2.77Å; R186-E222 PolarHBondContact NE-O 2.95Å; R186-E222 PolarHBondContact NH2-O 3.39Å; R186-E222 IonicContact NH2-OE1 3.64Å; R186-E222 PolarHBondContact NH2-OE1 3.19Å; A218-E222 VanDerWaalsContact O-CB 3.22Å; A218-E222 WeakPolarHBondContact O-CB 3.5Å; A218-E222 PolarHBondContact O-N 3.48Å; E222-Q224 PolarHBondContact O-N 3.13Å
223	A	92.6	Very high	93	Very high	7 Å²	7	31.5 Å²	31.5	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-70.9	-13.5	176.7	0	0	0	0	0	114	V182 L185 R186 V219 S220 V225	V182-A223 HydrophobicContact CG1-CB 4.17Å; L185-A223 HydrophobicContact CB-CB 3.7Å; L185-A223 HydrophobicContact CD1-CB 3.92Å; L185-A223 HydrophobicContact CG-CB 4.47Å; R186-A223 HydrophobicContact CG-CB 4.37Å; V219-A223 VanDerWaalsContact O-CB 3.28Å; V219-A223 WeakPolarHBondContact O-CB 3.35Å; V219-A223 PolarHBondContact O-N 2.86Å; S220-A223 CarbonylContact O-C 3.41Å; S220-A223 PolarHBondContact O-N 3.26Å; A223-V225 VanDerWaalsContact C-N 3.26Å; A223-V225 HydrophobicContact CB-CG1 4.21Å; A223-V225 HydrophobicContact CB-CG2 3.97Å; A223-V225 PolarHBondContact O-N 3.14Å
224	Q	92.1	Very high	92.5	Very high	173 Å²	173	31.2 Å²	31.2	81%	0.808	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	40	-172.2	-60.6	-168.8	-17.3	0	0	113.3	S220 G221 E222	S220-Q224 WeakPolarHBondContact O-CA 3.47Å; S220-Q224 PolarHBondContact O-N 2.98Å; G221-Q224 WeakPolarHBondContact O-CG 3.43Å; G221-Q224 PolarHBondContact O-N 3.44Å; E222-Q224 PolarHBondContact O-N 3.13Å
225	V	92.6	Very high	92	Very high	11 Å²	11	28 Å²	28	7%	0.067	15%	0.149	C	C	.	.			trans	-111.7	151.9	177.2	-60.8	0	0	0	0	111	L185 S220 A223 F227 P259 L261	L185-V225 HydrophobicContact CB-CG1 4.28Å; L185-V225 HydrophobicContact CD1-CG2 4.1Å; L185-V225 HydrophobicContact CD2-CG2 4.46Å; S220-V225 PolarHBondContact O-N 3.16Å; S220-V225 VanDerWaalsContact O-N 3.13Å; A223-V225 VanDerWaalsContact C-N 3.26Å; A223-V225 HydrophobicContact CB-CG1 4.21Å; A223-V225 HydrophobicContact CB-CG2 3.97Å; A223-V225 PolarHBondContact O-N 3.14Å; V225-F227 PolarHBondContact O-N 2.96Å; V225-P259 HydrophobicContact CG1-CB 4.43Å; V225-P259 HydrophobicContact CG1-CG 4.33Å; V225-L261 HydrophobicContact CG2-CB 4.16Å
226	P	94.2	Very high	91.2	Very high	31 Å²	31	31.2 Å²	31.2	20%	0.201	17%	0.167	C	C	.	.			trans	-53.9	136	173.9	-26.7	35.6	0	0	0	112.6	N257 P259 C260 L261	P226-N257 HydrophobicContact CB-CB 4.42Å; P226-N257 HydrophobicContact CG-CB 4.47Å; P226-P259 WeakPolarHBondContact CD-O 3.24Å; P226-C260 HydrophobicContact CB-CB 4.21Å; P226-C260 WeakPolarHBondContact O-CB 3.22Å; P226-L261 PolarHBondContact O-N 3.08Å
227	F	94.7	Very high	90.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.1	178	-177.8	-109.3	0	0	0	110	E159 T161 A216 K217 S220 V225 Y229 L261 F263	E159-F227 PolarHBondContact N-O 3.39Å; E159-F227 WeakPolarHBondContact O-CB 3.43Å; E159-F227 PolarHBondContact O-N 2.76Å; T161-F227 HydrophobicContact CG2-CB 3.87Å; T161-F227 HydrophobicContact CG2-CD1 3.91Å; T161-F227 HydrophobicContact CG2-CG 3.99Å; A216-F227 HydrophobicContact CB-CE2 4.04Å; A216-F227 HydrophobicContact CB-CZ 4.43Å; K217-F227 HydrophobicContact CD-CE1 4.45Å; K217-F227 HydrophobicContact CG-CD1 4.3Å; K217-F227 HydrophobicContact CG-CE1 3.72Å; K217-F227 HydrophobicContact CG-CE2 4.2Å; K217-F227 HydrophobicContact CG-CZ 3.67Å; S220-F227 VanDerWaalsContact OG-CD2 3.24Å; S220-F227 WeakPolarHBondContact OG-CD2 3.48Å; V225-F227 PolarHBondContact O-N 2.96Å; F227-Y229 HydrophobicContact CE1-CD2 4.08Å; F227-Y229 HydrophobicContact CE1-CG 4.33Å; F227-Y229 HydrophobicContact CZ-CD2 4.25Å; F227-L261 HydrophobicContact CD2-CD2 4.19Å; F227-L261 HydrophobicContact CE2-CD2 4.44Å; F227-F263 HydrophobicContact CE2-CB 3.53Å; F227-F263 HydrophobicContact CE2-CG 4.23Å; F227-F263 HydrophobicContact CZ-CB 3.62Å; F227-F263 HydrophobicContact CZ-CD1 4.16Å; F227-F263 HydrophobicContact CZ-CG 4.05Å
228	L	94.7	Very high	89.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	105.5	174.3	-56.3	-171.5	0	0	0	110.7	F157 A158 L250 T253 A254 L261 V262 F263	F157-L228 VanDerWaalsContact C-CD2 3.43Å; F157-L228 HydrophobicContact CB-CB 4.21Å; F157-L228 HydrophobicContact CB-CD2 3.69Å; F157-L228 HydrophobicContact CB-CG 4.41Å; F157-L228 VanDerWaalsContact O-CA 3.27Å; F157-L228 WeakPolarHBondContact O-CA 3.32Å; A158-L228 HydrophobicContact CB-CD2 3.52Å; A158-L228 VanDerWaalsContact N-CD2 3.27Å; L228-L250 HydrophobicContact CB-CD1 4.33Å; L228-T253 HydrophobicContact CD1-CG2 4.4Å; L228-T253 HydrophobicContact CD2-CG2 4.28Å; L228-A254 HydrophobicContact CD1-CB 3.59Å; L228-L261 PolarHBondContact N-O 3.34Å; L228-V262 HydrophobicContact CB-CG2 4.25Å; L228-V262 HydrophobicContact CD1-CG2 4.01Å; L228-V262 CarbonylContact O-C 3.57Å; L228-F263 PolarHBondContact O-N 2.94Å
229	Y	94.1	Very high	88.2	Confident	93 Å²	93	41.6 Å²	41.6	37%	0.365	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129	179.4	179.3	-97.1	0	0	0	112.5	F157 T213 F227 F263 D265	F157-Y229 WeakPolarHBondContact CD1-O 3.35Å; F157-Y229 PolarHBondContact O-N 2.72Å; T213-Y229 HydrophobicContact CG2-CE2 3.98Å; F227-Y229 HydrophobicContact CE1-CD2 4.08Å; F227-Y229 HydrophobicContact CE1-CG 4.33Å; F227-Y229 HydrophobicContact CZ-CD2 4.25Å; Y229-F263 AromaticContact CD2-CD1 3.65Å; Y229-F263 HydrophobicContact CD2-CD1 3.65Å; Y229-F263 HydrophobicContact CD2-CE1 4.24Å; Y229-F263 AromaticContact CE2-CD1 3.77Å; Y229-F263 HydrophobicContact CE2-CD1 3.77Å; Y229-F263 AromaticContact CE2-CE1 3.9Å; Y229-F263 HydrophobicContact CE2-CE1 3.9Å; Y229-D265 HydrophobicContact CE2-CB 4.29Å
230	A	92.5	Very high	87.2	Confident	3 Å²	3	46 Å²	46	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.8	166.3	0	0	0	0	0	111	F157 F235 L250 F263 I264 D265	F157-A230 HydrophobicContact CE1-CB 4.36Å; A230-F235 HydrophobicContact CB-CE2 4.06Å; A230-F235 HydrophobicContact CB-CZ 3.63Å; A230-L250 HydrophobicContact CB-CD1 4.39Å; A230-L250 HydrophobicContact CB-CD2 4.14Å; A230-F263 PolarHBondContact N-O 2.91Å; A230-I264 CarbonylContact O-C 3.56Å; A230-I264 VanDerWaalsContact O-CA 3.28Å; A230-I264 WeakPolarHBondContact O-CA 3.08Å; A230-D265 PolarHBondContact O-N 3.29Å
231	S	90.7	Very high	86.4	Confident	23 Å²	23	47 Å²	47	16%	0.161	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.9	167.8	174.8	0	0	0	0	109.3	S233 S234	S231-S233 PolarHBondContact O-N 2.98Å; S231-S233 PolarHBondContact OG-OG 3.38Å; S231-S234 VanDerWaalsContact O-CB 3.23Å; S231-S234 WeakPolarHBondContact O-CB 3.33Å; S231-S234 PolarHBondContact O-N 2.71Å; S231-S234 PolarHBondContact O-OG 2.94Å
232	G	85	Confident	85.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.6	-37.9	178.1	0	0	0	0	0	112.1	S234 F235 D265 S269 V270	G232-S234 PolarHBondContact O-N 2.87Å; G232-S234 VanDerWaalsContact O-N 3.1Å; G232-F235 PolarHBondContact O-N 2.85Å; G232-D265 WeakPolarHBondContact CA-O 3.33Å; G232-D265 PolarHBondContact N-O 3.17Å; G232-S269 WeakPolarHBondContact CA-OG 3.33Å; G232-S269 PolarHBondContact O-OG 3.13Å; G232-V270 VanDerWaalsContact O-CG1 3.23Å; G232-V270 WeakPolarHBondContact O-CG1 3.43Å
233	S	84.5	Confident	85.5	Confident	63 Å²	63	46.5 Å²	46.5	44%	0.441	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-55.8	-28.4	174	66.5	0	0	0	0	113	S231 F235 D236 S269	S231-S233 PolarHBondContact O-N 2.98Å; S231-S233 PolarHBondContact OG-OG 3.38Å; S233-F235 PolarHBondContact O-N 3.4Å; S233-D236 PolarHBondContact O-N 3.29Å; S233-S269 PolarHBondContact N-OG 3.07Å; S233-S269 VanDerWaalsContact N-OG 3.15Å
234	S	84.4	Confident	85.2	Confident	38 Å²	38	46.2 Å²	46.2	27%	0.266	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-71.3	-9.1	177.2	78.9	0	0	0	0	113.8	S231 G232 R246	S231-S234 VanDerWaalsContact O-CB 3.23Å; S231-S234 WeakPolarHBondContact O-CB 3.33Å; S231-S234 PolarHBondContact O-N 2.71Å; S231-S234 PolarHBondContact O-OG 2.94Å; G232-S234 PolarHBondContact O-N 2.87Å; G232-S234 VanDerWaalsContact O-N 3.1Å; S234-R246 WeakPolarHBondContact O-CD 3.25Å; S234-R246 PolarHBondContact O-NH1 2.82Å
235	F	83.8	Confident	85.1	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-107.1	-7.6	173.6	-44.8	-67.5	0	0	0	113.1	A230 G232 S233 E237 G243 R246 I247 L250 I264 V270 T286	A230-F235 HydrophobicContact CB-CE2 4.06Å; A230-F235 HydrophobicContact CB-CZ 3.63Å; G232-F235 PolarHBondContact O-N 2.85Å; S233-F235 PolarHBondContact O-N 3.4Å; F235-E237 PolarHBondContact O-N 2.95Å; F235-E237 VanDerWaalsContact O-N 3.16Å; F235-G243 WeakPolarHBondContact O-CA 3.34Å; F235-R246 HydrophobicContact CD1-CB 3.71Å; F235-R246 HydrophobicContact CE1-CB 3.9Å; F235-I247 HydrophobicContact CD1-CG1 3.83Å; F235-I247 HydrophobicContact CE1-CG1 4.01Å; F235-I247 HydrophobicContact CG-CG1 4.12Å; F235-I247 HydrophobicContact CZ-CG1 4.45Å; F235-L250 HydrophobicContact CZ-CD2 4.02Å; F235-I264 HydrophobicContact CE2-CG2 3.99Å; F235-V270 HydrophobicContact CB-CG1 3.64Å; F235-V270 HydrophobicContact CD2-CG1 4.12Å; F235-V270 HydrophobicContact CG-CG1 4.38Å; F235-T286 HydrophobicContact CB-CG2 3.82Å
236	D	78.1	Confident	84.9	Confident	69 Å²	69	42.3 Å²	42.3	37%	0.369	24%	0.24	S	C	.	.			trans	-83.6	83.1	173.6	-170.3	27.2	0	0	0	109.8	S233 H280	S233-D236 PolarHBondContact O-N 3.29Å; D236-H280 IonicContact OD1-CE1 2.58Å; D236-H280 PolarHBondContact OD1-CE1 2.7Å; D236-H280 IonicContact OD1-ND1 2.79Å; D236-H280 PolarHBondContact OD1-ND1 2.82Å; D236-H280 IonicContact OD2-CE1 2.68Å
237	E	75.2	Confident	84.7	Confident	64 Å²	64	40.9 Å²	40.9	30%	0.299	23%	0.231	S	C	.	.			trans	-112.4	140.3	-177.1	-73.3	-75.5	-176.2	0	0	111	F235 L239 L242 R246	F235-E237 PolarHBondContact O-N 2.95Å; F235-E237 VanDerWaalsContact O-N 3.16Å; E237-L239 PolarHBondContact O-N 3.23Å; E237-L242 HydrophobicContact CB-CB 4.16Å; E237-L242 HydrophobicContact CG-CB 4.4Å; E237-R246 IonicContact OE1-CZ 3.11Å; E237-R246 IonicContact OE1-NH1 2.68Å; E237-R246 PolarHBondContact OE1-NH1 3.16Å; E237-R246 IonicContact OE1-NH2 2.81Å; E237-R246 PolarHBondContact OE1-NH2 2.94Å
238	V	72.4	Confident	84.6	Confident	125 Å²	125	46.7 Å²	46.7	76%	0.758	25%	0.253	S	S	*	.	S	Bend	trans	-66.4	-28.2	-179.7	-177.1	0	0	0	0	111.8
239	L	73.1	Confident	84.4	Confident	95 Å²	95	48.8 Å²	48.8	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-85.2	129.8	-178.3	-66.1	172.7	0	0	0	111.6	F149 E237 G241 L242	F149-L239 HydrophobicContact CZ-CD1 4.12Å; E237-L239 PolarHBondContact O-N 3.23Å; L239-G241 PolarHBondContact O-N 2.86Å; L239-L242 HydrophobicContact CB-CD1 3.63Å; L239-L242 HydrophobicContact CB-CG 3.93Å; L239-L242 HydrophobicContact CD1-CD1 3.65Å; L239-L242 HydrophobicContact CG-CD1 4.23Å; L239-L242 PolarHBondContact O-N 3.05Å
240	V	73.9	Confident	84.3	Confident	91 Å²	91	44.4 Å²	44.4	55%	0.552	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	127.4	-177.7	-169.8	0	0	0	0	111.4	L242 F282	V240-L242 VanDerWaalsContact C-N 3.3Å; V240-L242 PolarHBondContact O-N 3.12Å; V240-F282 HydrophobicContact CB-CD1 4.36Å; V240-F282 HydrophobicContact CB-CE1 4.37Å; V240-F282 HydrophobicContact CG1-CD1 4.15Å; V240-F282 HydrophobicContact CG1-CE1 4.36Å; V240-F282 HydrophobicContact CG2-CD1 3.7Å; V240-F282 HydrophobicContact CG2-CE1 3.29Å; V240-F282 HydrophobicContact CG2-CE2 4.29Å; V240-F282 HydrophobicContact CG2-CG 4.36Å; V240-F282 HydrophobicContact CG2-CZ 3.63Å
241	G	78.8	Confident	84.2	Confident	23 Å²	23	44.3 Å²	44.3	24%	0.237	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-8.6	172.3	0	0	0	0	0	116	L239 A244 S245	L239-G241 PolarHBondContact O-N 2.86Å; G241-A244 PolarHBondContact O-N 3.43Å; G241-S245 WeakPolarHBondContact O-CB 3.47Å; G241-S245 PolarHBondContact O-N 2.77Å
242	L	83.8	Confident	84.3	Confident	62 Å²	62	46.7 Å²	46.7	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-45.9	175.5	-72.1	-170.7	0	0	0	112	E237 L239 V240 A244 S245 R246	E237-L242 HydrophobicContact CB-CB 4.16Å; E237-L242 HydrophobicContact CG-CB 4.4Å; L239-L242 HydrophobicContact CB-CD1 3.63Å; L239-L242 HydrophobicContact CB-CG 3.93Å; L239-L242 HydrophobicContact CD1-CD1 3.65Å; L239-L242 HydrophobicContact CG-CD1 4.23Å; L239-L242 PolarHBondContact O-N 3.05Å; V240-L242 VanDerWaalsContact C-N 3.3Å; V240-L242 PolarHBondContact O-N 3.12Å; L242-A244 VanDerWaalsContact C-N 3.35Å; L242-A244 PolarHBondContact O-N 3.39Å; L242-S245 WeakPolarHBondContact O-CB 3.28Å; L242-S245 PolarHBondContact O-N 3.15Å; L242-S245 VanDerWaalsContact O-N 3.13Å; L242-R246 PolarHBondContact O-N 2.94Å
243	G	85.2	Confident	84.6	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-46.3	175.2	0	0	0	0	0	112.3	F235 S245 R246 I247	F235-G243 WeakPolarHBondContact O-CA 3.34Å; G243-S245 VanDerWaalsContact C-N 3.34Å; G243-S245 PolarHBondContact O-N 3.36Å; G243-R246 PolarHBondContact O-N 3.11Å; G243-I247 WeakPolarHBondContact O-CG1 3.21Å; G243-I247 PolarHBondContact O-N 2.87Å
244	A	86.6	Confident	84.9	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-38.6	175.1	0	0	0	0	0	112.7	G241 L242 I247 R248 Q289	G241-A244 PolarHBondContact O-N 3.43Å; L242-A244 VanDerWaalsContact C-N 3.35Å; L242-A244 PolarHBondContact O-N 3.39Å; A244-I247 PolarHBondContact O-N 3.32Å; A244-R248 WeakPolarHBondContact O-CG 3.44Å; A244-R248 PolarHBondContact O-N 3.3Å; A244-R248 VanDerWaalsContact O-N 3.11Å; A244-Q289 HydrophobicContact CB-CB 3.86Å; A244-Q289 HydrophobicContact CB-CG 3.97Å
245	S	89	Confident	85.2	Confident	40 Å²	40	47.6 Å²	47.6	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-42.6	175.6	-171.4	0	0	0	0	112	G241 L242 G243 R248 Q249	G241-S245 WeakPolarHBondContact O-CB 3.47Å; G241-S245 PolarHBondContact O-N 2.77Å; L242-S245 WeakPolarHBondContact O-CB 3.28Å; L242-S245 PolarHBondContact O-N 3.15Å; L242-S245 VanDerWaalsContact O-N 3.13Å; G243-S245 VanDerWaalsContact C-N 3.34Å; G243-S245 PolarHBondContact O-N 3.36Å; S245-R248 WeakPolarHBondContact O-CB 3.49Å; S245-R248 PolarHBondContact O-N 3.02Å; S245-Q249 WeakPolarHBondContact O-CG 3.23Å; S245-Q249 PolarHBondContact O-N 2.64Å
246	R	88.4	Confident	85.5	Confident	62 Å²	62	54.4 Å²	54.4	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-39.7	177.2	-74	-173.7	-178.1	163.2	11.3	112	S234 F235 E237 L242 G243 Q249 L250	S234-R246 WeakPolarHBondContact O-CD 3.25Å; S234-R246 PolarHBondContact O-NH1 2.82Å; F235-R246 HydrophobicContact CD1-CB 3.71Å; F235-R246 HydrophobicContact CE1-CB 3.9Å; E237-R246 IonicContact OE1-CZ 3.11Å; E237-R246 IonicContact OE1-NH1 2.68Å; E237-R246 PolarHBondContact OE1-NH1 3.16Å; E237-R246 IonicContact OE1-NH2 2.81Å; E237-R246 PolarHBondContact OE1-NH2 2.94Å; L242-R246 PolarHBondContact O-N 2.94Å; G243-R246 PolarHBondContact O-N 3.11Å; R246-Q249 PolarHBondContact O-N 3.06Å; R246-L250 PolarHBondContact O-N 3.01Å
247	I	90.8	Very high	86.1	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-47.2	173.5	-70.5	167.3	0	0	0	110.7	F235 G243 A244 Q249 L250 F251 T286 Q289 L290 E293	F235-I247 HydrophobicContact CD1-CG1 3.83Å; F235-I247 HydrophobicContact CE1-CG1 4.01Å; F235-I247 HydrophobicContact CG-CG1 4.12Å; F235-I247 HydrophobicContact CZ-CG1 4.45Å; G243-I247 WeakPolarHBondContact O-CG1 3.21Å; G243-I247 PolarHBondContact O-N 2.87Å; A244-I247 PolarHBondContact O-N 3.32Å; I247-Q249 VanDerWaalsContact C-N 3.27Å; I247-Q249 PolarHBondContact O-N 3.27Å; I247-L250 WeakPolarHBondContact O-CB 3.46Å; I247-L250 PolarHBondContact O-N 3.23Å; I247-F251 HydrophobicContact CG2-CD2 3.95Å; I247-F251 HydrophobicContact CG2-CE2 4.1Å; I247-F251 WeakPolarHBondContact O-CD2 3.38Å; I247-F251 PolarHBondContact O-N 2.93Å; I247-T286 HydrophobicContact CD1-CG2 3.39Å; I247-T286 VanDerWaalsContact CD1-O 3.29Å; I247-T286 WeakPolarHBondContact CD1-O 3.4Å; I247-Q289 HydrophobicContact CB-CG 4.26Å; I247-Q289 HydrophobicContact CG2-CG 4.04Å; I247-L290 HydrophobicContact CD1-CB 4.07Å; I247-L290 HydrophobicContact CG2-CB 4.48Å; I247-L290 HydrophobicContact CG2-CD1 4.4Å; I247-E293 HydrophobicContact CG2-CB 4.49Å; I247-E293 HydrophobicContact CG2-CG 3.85Å
248	R	91.2	Very high	86.7	Confident	121 Å²	121	53.3 Å²	53.3	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-57.9	-41.9	176.2	-71.9	173.8	-173.5	159.3	4.5	112	A244 S245 T252 Q289 E293	A244-R248 WeakPolarHBondContact O-CG 3.44Å; A244-R248 PolarHBondContact O-N 3.3Å; A244-R248 VanDerWaalsContact O-N 3.11Å; S245-R248 WeakPolarHBondContact O-CB 3.49Å; S245-R248 PolarHBondContact O-N 3.02Å; R248-T252 WeakPolarHBondContact O-CB 2.87Å; R248-T252 PolarHBondContact O-N 3.47Å; R248-T252 PolarHBondContact O-OG1 3.28Å; R248-Q289 HydrophobicContact CG-CG 4.13Å; R248-Q289 VanDerWaalsContact CG-NE2 3.31Å; R248-E293 WeakPolarHBondContact CG-OE1 3.23Å
249	Q	90.6	Very high	87.6	Confident	45 Å²	45	50 Å²	50	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-42.5	178	-72.8	170.9	-17.8	0	0	111.9	S245 R246 I247 F251 T252 T253	S245-Q249 WeakPolarHBondContact O-CG 3.23Å; S245-Q249 PolarHBondContact O-N 2.64Å; R246-Q249 PolarHBondContact O-N 3.06Å; I247-Q249 VanDerWaalsContact C-N 3.27Å; I247-Q249 PolarHBondContact O-N 3.27Å; Q249-F251 PolarHBondContact O-N 2.93Å; Q249-T252 PolarHBondContact O-N 3.46Å; Q249-T253 WeakPolarHBondContact O-CB 3.36Å; Q249-T253 PolarHBondContact O-N 3.41Å; Q249-T253 PolarHBondContact O-OG1 2.95Å
250	L	91.9	Very high	88.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-51.4	175.1	178.2	67.9	0	0	0	111	F157 L228 A230 F235 R246 I247 T252 T253 A254 V262 I264	F157-L250 HydrophobicContact CB-CD1 4.38Å; F157-L250 HydrophobicContact CD1-CD1 3.58Å; F157-L250 HydrophobicContact CD2-CD1 4.36Å; F157-L250 HydrophobicContact CE1-CD1 3.86Å; F157-L250 HydrophobicContact CG-CD1 3.86Å; F157-L250 HydrophobicContact CZ-CD1 4.36Å; L228-L250 HydrophobicContact CB-CD1 4.33Å; A230-L250 HydrophobicContact CB-CD1 4.39Å; A230-L250 HydrophobicContact CB-CD2 4.14Å; F235-L250 HydrophobicContact CZ-CD2 4.02Å; R246-L250 PolarHBondContact O-N 3.01Å; I247-L250 WeakPolarHBondContact O-CB 3.46Å; I247-L250 PolarHBondContact O-N 3.23Å; L250-T252 PolarHBondContact O-N 3.41Å; L250-T253 WeakPolarHBondContact O-CB 3.31Å; L250-T253 PolarHBondContact O-N 3.19Å; L250-A254 PolarHBondContact O-N 3.34Å; L250-V262 HydrophobicContact CD1-CG1 4.22Å; L250-V262 HydrophobicContact CD2-CG1 3.84Å; L250-V262 HydrophobicContact CG-CG1 4.13Å; L250-I264 HydrophobicContact CD2-CD1 4.31Å; L250-I264 HydrophobicContact CD2-CG1 4.42Å
251	F	91.9	Very high	89.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.4	-31.1	-179.9	-81.7	-85.5	0	0	0	113.5	I247 Q249 T253 A254 K255 L290 E293 M294 F297 V305	I247-F251 HydrophobicContact CG2-CD2 3.95Å; I247-F251 HydrophobicContact CG2-CE2 4.1Å; I247-F251 WeakPolarHBondContact O-CD2 3.38Å; I247-F251 PolarHBondContact O-N 2.93Å; Q249-F251 PolarHBondContact O-N 2.93Å; F251-T253 VanDerWaalsContact C-N 3.33Å; F251-A254 PolarHBondContact O-N 2.9Å; F251-K255 WeakPolarHBondContact O-CG 3.11Å; F251-K255 PolarHBondContact O-N 2.92Å; F251-L290 HydrophobicContact CE2-CD1 3.74Å; F251-L290 HydrophobicContact CZ-CD1 4.11Å; F251-E293 HydrophobicContact CB-CB 4.22Å; F251-E293 HydrophobicContact CB-CG 4.13Å; F251-E293 HydrophobicContact CD1-CB 3.98Å; F251-E293 HydrophobicContact CD2-CB 3.43Å; F251-E293 VanDerWaalsContact CD2-CB 3.43Å; F251-E293 HydrophobicContact CD2-CG 3.68Å; F251-E293 HydrophobicContact CE1-CB 4.2Å; F251-E293 HydrophobicContact CE2-CB 3.68Å; F251-E293 HydrophobicContact CE2-CG 4.3Å; F251-E293 HydrophobicContact CG-CB 3.59Å; F251-E293 HydrophobicContact CG-CG 3.94Å; F251-E293 HydrophobicContact CZ-CB 4.05Å; F251-M294 HydrophobicContact CE1-SD 4.14Å; F251-M294 HydrophobicContact CZ-CG 4.28Å; F251-M294 HydrophobicContact CZ-SD 3.77Å; F251-F297 HydrophobicContact CD1-CD1 4.13Å; F251-F297 HydrophobicContact CD1-CE1 4.33Å; F251-F297 AromaticContact CE1-CD1 3.89Å; F251-F297 HydrophobicContact CE1-CD1 3.89Å; F251-F297 AromaticContact CE1-CE1 3.64Å; F251-F297 HydrophobicContact CE1-CE1 3.64Å; F251-V305 HydrophobicContact CE1-CG2 4.04Å; F251-V305 HydrophobicContact CZ-CG2 4.16Å
252	T	91.2	Very high	90.3	Very high	74 Å²	74	40.1 Å²	40.1	45%	0.454	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-42.6	171.4	-58.3	0	0	0	0	110.6	R248 Q249 L250 K255 Q256	R248-T252 WeakPolarHBondContact O-CB 2.87Å; R248-T252 PolarHBondContact O-N 3.47Å; R248-T252 PolarHBondContact O-OG1 3.28Å; Q249-T252 PolarHBondContact O-N 3.46Å; L250-T252 PolarHBondContact O-N 3.41Å; T252-K255 PolarHBondContact O-N 2.92Å; T252-Q256 WeakPolarHBondContact O-CG 3.43Å; T252-Q256 PolarHBondContact O-N 3.21Å; T252-Q256 VanDerWaalsContact O-N 3.15Å
253	T	91.4	Very high	90.8	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-39.5	176	-52	0	0	0	0	111.2	F157 L228 Q249 L250 F251 Q256 N257	F157-T253 HydrophobicContact CB-CG2 4.26Å; F157-T253 HydrophobicContact CD2-CG2 4.46Å; L228-T253 HydrophobicContact CD1-CG2 4.4Å; L228-T253 HydrophobicContact CD2-CG2 4.28Å; Q249-T253 WeakPolarHBondContact O-CB 3.36Å; Q249-T253 PolarHBondContact O-N 3.41Å; Q249-T253 PolarHBondContact O-OG1 2.95Å; L250-T253 WeakPolarHBondContact O-CB 3.31Å; L250-T253 PolarHBondContact O-N 3.19Å; F251-T253 VanDerWaalsContact C-N 3.33Å; T253-Q256 PolarHBondContact O-N 3.08Å; T253-N257 PolarHBondContact O-N 3.32Å; T253-N257 VanDerWaalsContact O-N 3.1Å; T253-N257 PolarHBondContact O-ND2 3.16Å
254	A	91.8	Very high	91.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-45	174.9	0	0	0	0	0	112.3	L228 L250 F251 Q256 N257 S258 C260 V262 I303	L228-A254 HydrophobicContact CD1-CB 3.59Å; L250-A254 PolarHBondContact O-N 3.34Å; F251-A254 PolarHBondContact O-N 2.9Å; A254-Q256 VanDerWaalsContact C-N 3.28Å; A254-Q256 PolarHBondContact O-N 3.45Å; A254-N257 CarbonylContact O-C 3.48Å; A254-N257 PolarHBondContact O-N 2.96Å; A254-S258 PolarHBondContact O-N 3.06Å; A254-S258 VanDerWaalsContact O-N 3.1Å; A254-C260 PolarHBondContact O-SG 3.4Å; A254-C260 VanDerWaalsContact O-SG 3.39Å; A254-V262 HydrophobicContact CB-CG2 3.74Å; A254-I303 HydrophobicContact CB-CD1 4.12Å; A254-I303 HydrophobicContact CB-CG2 4.19Å
255	K	90.3	Very high	91.6	Very high	88 Å²	88	38.3 Å²	38.3	38%	0.383	20%	0.195	S	C	.	.	H	α-helix	trans	-63.1	-33.7	176.3	-73.2	173.2	178	172.8	0	113	F251 T252 E301 I303	F251-K255 WeakPolarHBondContact O-CG 3.11Å; F251-K255 PolarHBondContact O-N 2.92Å; T252-K255 PolarHBondContact O-N 2.92Å; K255-E301 WeakPolarHBondContact CE-OE2 3.26Å; K255-I303 HydrophobicContact CG-CD1 3.85Å
256	Q	90.4	Very high	91.8	Very high	146 Å²	146	40.4 Å²	40.4	68%	0.682	20%	0.201	S	C	*	.	H	α-helix	trans	-74.5	-27.2	177.2	-71.5	172.1	-5.1	0	0	113.4	T252 T253 A254	T252-Q256 WeakPolarHBondContact O-CG 3.43Å; T252-Q256 PolarHBondContact O-N 3.21Å; T252-Q256 VanDerWaalsContact O-N 3.15Å; T253-Q256 PolarHBondContact O-N 3.08Å; A254-Q256 VanDerWaalsContact C-N 3.28Å; A254-Q256 PolarHBondContact O-N 3.45Å
257	N	89.8	Confident	91.9	Very high	56 Å²	56	37.6 Å²	37.6	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	15.3	-176.8	-66.6	-82	0	0	0	113	P226 T253 A254 P259 C260	P226-N257 HydrophobicContact CB-CB 4.42Å; P226-N257 HydrophobicContact CG-CB 4.47Å; T253-N257 PolarHBondContact O-N 3.32Å; T253-N257 VanDerWaalsContact O-N 3.1Å; T253-N257 PolarHBondContact O-ND2 3.16Å; A254-N257 CarbonylContact O-C 3.48Å; A254-N257 PolarHBondContact O-N 2.96Å; N257-P259 CarbonylContact O-C 3.57Å; N257-P259 VanDerWaalsContact O-O 3.14Å; N257-C260 HydrophobicContact CB-CB 4.49Å; N257-C260 WeakPolarHBondContact O-CB 3.28Å
258	S	88.3	Confident	91.7	Very high	54 Å²	54	38.9 Å²	38.9	38%	0.378	20%	0.197	S	C	.	.			trans	-61.4	140.2	178.6	159.6	0	0	0	0	112	A254 E301	A254-S258 PolarHBondContact O-N 3.06Å; A254-S258 VanDerWaalsContact O-N 3.1Å; S258-E301 WeakPolarHBondContact CB-O 3.37Å; S258-E301 PolarHBondContact OG-O 3.03Å
259	P	90.6	Very high	91.3	Very high	57 Å²	57	35.2 Å²	35.2	37%	0.37	19%	0.19	S	C	.	.	S	Bend	cis	-73.1	137.9	-4.9	30.1	-34.5	0	0	0	111.7	V225 P226 N257 G302	V225-P259 HydrophobicContact CG1-CB 4.43Å; V225-P259 HydrophobicContact CG1-CG 4.33Å; P226-P259 WeakPolarHBondContact CD-O 3.24Å; N257-P259 CarbonylContact O-C 3.57Å; N257-P259 VanDerWaalsContact O-O 3.14Å; P259-G302 VanDerWaalsContact CA-O 3.29Å; P259-G302 WeakPolarHBondContact CA-O 3.33Å; P259-G302 WeakPolarHBondContact CB-O 3.42Å
260	C	92.7	Very high	90.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163	-178.1	70.5	0	0	0	0	112.8	P226 A254 N257 G302 I304	P226-C260 HydrophobicContact CB-CB 4.21Å; P226-C260 WeakPolarHBondContact O-CB 3.22Å; A254-C260 PolarHBondContact O-SG 3.4Å; A254-C260 VanDerWaalsContact O-SG 3.39Å; N257-C260 HydrophobicContact CB-CB 4.49Å; N257-C260 WeakPolarHBondContact O-CB 3.28Å; C260-G302 PolarHBondContact N-O 3.24Å; C260-I304 PolarHBondContact O-N 3.42Å
261	L	94.7	Very high	89.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.5	174.4	-171.7	63.4	0	0	0	110	L185 A216 V219 V225 P226 F227 L228 I304 L306	L185-L261 HydrophobicContact CD1-CB 4.48Å; L185-L261 HydrophobicContact CD1-CD1 4.02Å; A216-L261 WeakPolarHBondContact O-CD2 3.48Å; V219-L261 HydrophobicContact CB-CD2 3.98Å; V219-L261 HydrophobicContact CG1-CD2 3.85Å; V225-L261 HydrophobicContact CG2-CB 4.16Å; P226-L261 PolarHBondContact O-N 3.08Å; F227-L261 HydrophobicContact CD2-CD2 4.19Å; F227-L261 HydrophobicContact CE2-CD2 4.44Å; L228-L261 PolarHBondContact N-O 3.34Å; L261-I304 HydrophobicContact CD1-CB 4.16Å; L261-I304 HydrophobicContact CD1-CG2 4.31Å; L261-L306 HydrophobicContact CD1-CD1 3.87Å; L261-L306 HydrophobicContact CD1-CD2 4.46Å; L261-L306 HydrophobicContact CD1-CG 3.66Å; L261-L306 HydrophobicContact CD2-CD1 3.84Å; L261-L306 HydrophobicContact CD2-CG 4.5Å; L261-L306 HydrophobicContact CG-CD1 4.18Å; L261-L306 HydrophobicContact CG-CG 4.31Å
262	V	94.8	Very high	88.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.1	173.3	-177.4	0	0	0	0	108.9	L228 L250 A254 I264 I303 I304 V305 L306	L228-V262 HydrophobicContact CB-CG2 4.25Å; L228-V262 HydrophobicContact CD1-CG2 4.01Å; L228-V262 CarbonylContact O-C 3.57Å; L250-V262 HydrophobicContact CD1-CG1 4.22Å; L250-V262 HydrophobicContact CD2-CG1 3.84Å; L250-V262 HydrophobicContact CG-CG1 4.13Å; A254-V262 HydrophobicContact CB-CG2 3.74Å; V262-I264 HydrophobicContact CG1-CG1 4.2Å; V262-I303 HydrophobicContact CG2-CG2 4.02Å; V262-I304 PolarHBondContact N-O 3.11Å; V262-V305 HydrophobicContact CB-CG1 4.36Å; V262-V305 HydrophobicContact CB-CG2 4.17Å; V262-V305 HydrophobicContact CG1-CG1 4.34Å; V262-V305 CarbonylContact O-C 3.6Å; V262-V305 WeakPolarHBondContact O-CA 3.49Å; V262-L306 PolarHBondContact O-N 2.92Å
263	F	96.1	Very high	86.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.2	173.9	-178.2	-102.8	0	0	0	110.9	L204 T213 A216 F227 L228 Y229 A230 D265 L306 A308	L204-F263 HydrophobicContact CD1-CE2 4.37Å; T213-F263 HydrophobicContact CG2-CD1 4.45Å; T213-F263 HydrophobicContact CG2-CE1 3.79Å; T213-F263 HydrophobicContact CG2-CZ 4.39Å; A216-F263 HydrophobicContact CB-CB 4.27Å; A216-F263 HydrophobicContact CB-CD1 4.48Å; A216-F263 HydrophobicContact CB-CD2 3.17Å; A216-F263 HydrophobicContact CB-CE2 3.49Å; A216-F263 VanDerWaalsContact CB-CE2 3.49Å; A216-F263 HydrophobicContact CB-CG 3.73Å; A216-F263 HydrophobicContact CB-CZ 4.25Å; F227-F263 HydrophobicContact CE2-CB 3.53Å; F227-F263 HydrophobicContact CE2-CG 4.23Å; F227-F263 HydrophobicContact CZ-CB 3.62Å; F227-F263 HydrophobicContact CZ-CD1 4.16Å; F227-F263 HydrophobicContact CZ-CG 4.05Å; L228-F263 PolarHBondContact O-N 2.94Å; Y229-F263 AromaticContact CD2-CD1 3.65Å; Y229-F263 HydrophobicContact CD2-CD1 3.65Å; Y229-F263 HydrophobicContact CD2-CE1 4.24Å; Y229-F263 AromaticContact CE2-CD1 3.77Å; Y229-F263 HydrophobicContact CE2-CD1 3.77Å; Y229-F263 AromaticContact CE2-CE1 3.9Å; Y229-F263 HydrophobicContact CE2-CE1 3.9Å; A230-F263 PolarHBondContact N-O 2.91Å; F263-D265 HydrophobicContact CD1-CB 4.42Å; F263-D265 HydrophobicContact CE1-CB 3.64Å; F263-D265 HydrophobicContact CZ-CB 4.23Å; F263-L306 CarbonylContact C-O 3.45Å; F263-L306 VanDerWaalsContact CA-O 3.32Å; F263-L306 WeakPolarHBondContact CA-O 3.4Å; F263-L306 HydrophobicContact CD2-CB 3.76Å; F263-A308 HydrophobicContact CE2-CB 3.83Å; F263-A308 HydrophobicContact CZ-CB 3.62Å
264	I	94.5	Very high	85	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.1	173.9	-47.8	178.4	0	0	0	108.4	A230 F235 L250 V262 I267 L290 V305 L306 G307 A308	A230-I264 CarbonylContact O-C 3.56Å; A230-I264 VanDerWaalsContact O-CA 3.28Å; A230-I264 WeakPolarHBondContact O-CA 3.08Å; F235-I264 HydrophobicContact CE2-CG2 3.99Å; L250-I264 HydrophobicContact CD2-CD1 4.31Å; L250-I264 HydrophobicContact CD2-CG1 4.42Å; V262-I264 HydrophobicContact CG1-CG1 4.2Å; I264-I267 HydrophobicContact CB-CG2 3.74Å; I264-I267 HydrophobicContact CG2-CG2 3.66Å; I264-I267 WeakPolarHBondContact O-CG2 3.43Å; I264-L290 HydrophobicContact CD1-CD1 4.15Å; I264-V305 HydrophobicContact CD1-CG1 4.1Å; I264-V305 HydrophobicContact CG1-CG1 4.39Å; I264-L306 PolarHBondContact N-O 3.34Å; I264-G307 CarbonylContact O-C 3.46Å; I264-G307 WeakPolarHBondContact O-CA 3.46Å; I264-A308 PolarHBondContact O-N 3.37Å
265	D	94	Very high	83.2	Confident	25 Å²	25	44.5 Å²	44.5	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	154.3	174.4	-143.4	-21.8	0	0	0	111.2	T213 Y229 A230 G232 F263 I267	T213-D265 PolarHBondContact OG1-OD2 3.3Å; Y229-D265 HydrophobicContact CE2-CB 4.29Å; A230-D265 PolarHBondContact O-N 3.29Å; G232-D265 WeakPolarHBondContact CA-O 3.33Å; G232-D265 PolarHBondContact N-O 3.17Å; F263-D265 HydrophobicContact CD1-CB 4.42Å; F263-D265 HydrophobicContact CE1-CB 3.64Å; F263-D265 HydrophobicContact CZ-CB 4.23Å; D265-I267 VanDerWaalsContact C-N 3.32Å; D265-I267 PolarHBondContact O-N 3.47Å
266	E	92.1	Very high	81.1	Confident	84 Å²	84	50.5 Å²	50.5	39%	0.393	26%	0.261	S	S	.	.			trans	46.6	49.4	176.6	-58.9	-176.1	154.5	0	0	114	D268 S269 A308	E266-D268 WeakPolarHBondContact CA-OD1 3.36Å; E266-D268 PolarHBondContact O-N 2.92Å; E266-D268 VanDerWaalsContact O-N 3.07Å; E266-S269 WeakPolarHBondContact O-CB 3.31Å; E266-S269 PolarHBondContact O-N 3.48Å; E266-S269 PolarHBondContact O-OG 3.15Å; E266-A308 WeakPolarHBondContact CA-O 3.43Å; E266-A308 PolarHBondContact N-O 2.91Å; E266-A308 VanDerWaalsContact N-O 3.09Å
267	I	90.5	Very high	79.4	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.2	-176.8	68.2	161.5	0	0	0	113.3	L203 I264 D265 S269 V270 G271 A308 L315 F325	L203-I267 HydrophobicContact CD1-CD1 3.27Å; L203-I267 HydrophobicContact CD1-CG1 4.05Å; I264-I267 HydrophobicContact CB-CG2 3.74Å; I264-I267 HydrophobicContact CG2-CG2 3.66Å; I264-I267 WeakPolarHBondContact O-CG2 3.43Å; D265-I267 VanDerWaalsContact C-N 3.32Å; D265-I267 PolarHBondContact O-N 3.47Å; I267-S269 VanDerWaalsContact C-N 3.25Å; I267-S269 PolarHBondContact O-N 3.45Å; I267-V270 VanDerWaalsContact O-CG2 3.23Å; I267-V270 WeakPolarHBondContact O-CG2 3.38Å; I267-V270 PolarHBondContact O-N 3.46Å; I267-G271 WeakPolarHBondContact O-CA 3.21Å; I267-G271 PolarHBondContact O-N 3.05Å; I267-A308 PolarHBondContact N-O 3.38Å; I267-L315 HydrophobicContact CD1-CD1 3.87Å; I267-L315 HydrophobicContact CD1-CD2 3.71Å; I267-L315 HydrophobicContact CD1-CG 4.47Å; I267-L315 HydrophobicContact CG1-CD1 3.91Å; I267-L315 HydrophobicContact CG1-CD2 4.49Å; I267-F325 HydrophobicContact CD1-CD2 4.43Å; I267-F325 HydrophobicContact CD1-CE2 4.07Å; I267-F325 HydrophobicContact CD1-CZ 4.38Å
268	D	87.6	Confident	77.8	Confident	30 Å²	30	48.3 Å²	48.3	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-25	175.4	53.9	-34.1	0	0	0	112.8	E266 V270 G272	E266-D268 WeakPolarHBondContact CA-OD1 3.36Å; E266-D268 PolarHBondContact O-N 2.92Å; E266-D268 VanDerWaalsContact O-N 3.07Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.37Å; D268-G272 PolarHBondContact O-N 2.92Å
269	S	82.7	Confident	76.3	Confident	43 Å²	43	53 Å²	53	30%	0.301	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-39.8	173.4	59.5	0	0	0	0	112.9	G232 S233 E266 I267	G232-S269 WeakPolarHBondContact CA-OG 3.33Å; G232-S269 PolarHBondContact O-OG 3.13Å; S233-S269 PolarHBondContact N-OG 3.07Å; S233-S269 VanDerWaalsContact N-OG 3.15Å; E266-S269 WeakPolarHBondContact O-CB 3.31Å; E266-S269 PolarHBondContact O-N 3.48Å; E266-S269 PolarHBondContact O-OG 3.15Å; I267-S269 VanDerWaalsContact C-N 3.25Å; I267-S269 PolarHBondContact O-N 3.45Å
270	V	76.6	Confident	74.8	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-94.1	-31.4	176.2	-63.6	0	0	0	0	112.2	G232 F235 I267 D268 T286 I287	G232-V270 VanDerWaalsContact O-CG1 3.23Å; G232-V270 WeakPolarHBondContact O-CG1 3.43Å; F235-V270 HydrophobicContact CB-CG1 3.64Å; F235-V270 HydrophobicContact CD2-CG1 4.12Å; F235-V270 HydrophobicContact CG-CG1 4.38Å; I267-V270 VanDerWaalsContact O-CG2 3.23Å; I267-V270 WeakPolarHBondContact O-CG2 3.38Å; I267-V270 PolarHBondContact O-N 3.46Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.37Å; V270-T286 HydrophobicContact CB-CG2 4.33Å; V270-T286 HydrophobicContact CG1-CG2 4.13Å; V270-I287 WeakPolarHBondContact O-CD1 3.14Å; V270-I287 WeakPolarHBondContact O-CG1 3.03Å
271	G	67.8	Low	73.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-98.6	6.7	-167.6	0	0	0	0	0	114.7	I267 L315 D316	I267-G271 WeakPolarHBondContact O-CA 3.21Å; I267-G271 PolarHBondContact O-N 3.05Å; G271-L315 CarbonylContact O-C 3.54Å; G271-L315 WeakPolarHBondContact O-CA 3.41Å; G271-D316 PolarHBondContact O-N 2.88Å
272	G	67.5	Low	71.8	Confident	20 Å²	20	61.6 Å²	61.6	21%	0.206	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-53.8	151.3	178.8	0	0	0	0	0	113	D268 R274 V314	D268-G272 PolarHBondContact O-N 2.92Å; G272-R274 PolarHBondContact O-N 3.37Å; G272-V314 CarbonylContact C-O 3.55Å; G272-V314 WeakPolarHBondContact CA-O 3.49Å
273	N	59.6	Low	70.5	Confident	73 Å²	73	62.8 Å²	62.8	39%	0.39	33%	0.329	S	S	.	.			trans	-43.8	136.2	176.5	-82	-38.2	0	0	0	109	T275 E313 V314	N273-T275 PolarHBondContact O-N 2.87Å; N273-E313 PolarHBondContact ND2-O 2.74Å; N273-V314 VanDerWaalsContact CG-O 3.27Å; N273-V314 PolarHBondContact N-O 2.89Å; N273-V314 PolarHBondContact ND2-O 2.93Å
274	R	53.5	Low	69.4	Low	147 Å²	147	65.2 Å²	65.2	56%	0.555	34%	0.343	S	S	*	.			trans	-58.2	68.5	177.1	-59.9	-180	-170.2	-170.6	-6.6	111	G272 F276 D316	G272-R274 PolarHBondContact O-N 3.37Å; R274-F276 PolarHBondContact O-N 2.87Å; R274-D316 IonicContact CZ-OD2 3.88Å; R274-D316 IonicContact NE-OD2 3.96Å; R274-D316 PolarHBondContact NE-OD2 3.24Å; R274-D316 IonicContact NH2-OD2 3.79Å
275	T	52.8	Low	68.9	Low	101 Å²	101	69 Å²	69	62%	0.62	36%	0.36	S	S	*	.			trans	-74.2	121.9	170.1	52.8	0	0	0	0	103.7	N273 S277	N273-T275 PolarHBondContact O-N 2.87Å; T275-S277 PolarHBondContact O-N 3.01Å
276	F	46.8	Very low	68.4	Low	213 Å²	213	68.4 Å²	68.4	93%	0.934	36%	0.357	S	S	*	.			trans	-65.7	42.9	167.4	-113.2	-90.2	0	0	0	109.6	R274 P278	R274-F276 PolarHBondContact O-N 2.87Å; F276-P278 VanDerWaalsContact O-CD 3.26Å; F276-P278 WeakPolarHBondContact O-CD 3.48Å
277	S	55.1	Low	68.1	Low	43 Å²	43	64.6 Å²	64.6	30%	0.301	34%	0.34	S	S	.	.			trans	-67	118.6	173.7	-176	0	0	0	0	106.3	T275 H279 H280	T275-S277 PolarHBondContact O-N 3.01Å; S277-H279 PolarHBondContact O-N 3.37Å; S277-H280 PolarHBondContact O-N 3.14Å; S277-H280 VanDerWaalsContact O-N 3.16Å
278	P	56.4	Low	67.9	Low	113 Å²	113	68.6 Å²	68.6	73%	0.734	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.6	177.8	22.7	-31.4	0	0	0	112.8	F276	F276-P278 VanDerWaalsContact O-CD 3.26Å; F276-P278 WeakPolarHBondContact O-CD 3.48Å
279	H	56.7	Low	68.1	Low	154 Å²	154	68.5 Å²	68.5	71%	0.713	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.1	178	-63.7	-63	0	0	0	114.4	S277	S277-H279 PolarHBondContact O-N 3.37Å
280	H	57.4	Low	68.4	Low	88 Å²	88	66.7 Å²	66.7	41%	0.407	35%	0.346	S	S	.	.			trans	-132.8	62.3	-179.7	-75.7	-100.1	0	0	0	113.2	D236 S277 F282 A283	D236-H280 IonicContact OD1-CE1 2.58Å; D236-H280 PolarHBondContact OD1-CE1 2.7Å; D236-H280 IonicContact OD1-ND1 2.79Å; D236-H280 PolarHBondContact OD1-ND1 2.82Å; D236-H280 IonicContact OD2-CE1 2.68Å; S277-H280 PolarHBondContact O-N 3.14Å; S277-H280 VanDerWaalsContact O-N 3.16Å; H280-F282 PolarHBondContact O-N 3.43Å; H280-F282 VanDerWaalsContact O-N 3.12Å; H280-A283 HydrophobicContact CB-CB 4.38Å
281	P	61.6	Low	69.1	Low	71 Å²	71	66.9 Å²	66.9	46%	0.461	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.5	173.2	26.1	-33.4	0	0	0	112.8
282	F	64	Low	70.2	Confident	77 Å²	77	69.4 Å²	69.4	34%	0.338	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-20.9	-171.5	-47	-57.5	0	0	0	114.8	V240 H280 N284 Q285 T286	V240-F282 HydrophobicContact CB-CD1 4.36Å; V240-F282 HydrophobicContact CB-CE1 4.37Å; V240-F282 HydrophobicContact CG1-CD1 4.15Å; V240-F282 HydrophobicContact CG1-CE1 4.36Å; V240-F282 HydrophobicContact CG2-CD1 3.7Å; V240-F282 HydrophobicContact CG2-CE1 3.29Å; V240-F282 HydrophobicContact CG2-CE2 4.29Å; V240-F282 HydrophobicContact CG2-CG 4.36Å; V240-F282 HydrophobicContact CG2-CZ 3.63Å; H280-F282 PolarHBondContact O-N 3.43Å; H280-F282 VanDerWaalsContact O-N 3.12Å; F282-N284 PolarHBondContact O-N 2.99Å; F282-N284 VanDerWaalsContact O-N 3.16Å; F282-Q285 WeakPolarHBondContact O-CB 3.41Å; F282-Q285 PolarHBondContact O-N 3.05Å; F282-T286 PolarHBondContact O-N 3.42Å
283	A	67.2	Low	71.3	Confident	25 Å²	25	69.9 Å²	69.9	21%	0.207	37%	0.365	C	S	.	.	H	α-helix	trans	-53.7	-39.1	177.5	0	0	0	0	0	111.2	H280 Q285 T286 I287	H280-A283 HydrophobicContact CB-CB 4.38Å; A283-Q285 VanDerWaalsContact C-N 3.29Å; A283-Q285 PolarHBondContact O-N 2.61Å; A283-T286 PolarHBondContact O-N 3.01Å; A283-I287 WeakPolarHBondContact O-CG1 3.39Å; A283-I287 PolarHBondContact O-N 3.01Å
284	N	74.1	Confident	72.8	Confident	52 Å²	52	66.4 Å²	66.4	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-57.8	-36.8	176.2	-65.1	-49.2	0	0	0	113.6	F282 N288	F282-N284 PolarHBondContact O-N 2.99Å; F282-N284 VanDerWaalsContact O-N 3.16Å; N284-N288 WeakPolarHBondContact O-CB 3.32Å; N284-N288 PolarHBondContact O-N 2.75Å; N284-N288 PolarHBondContact O-ND2 3.09Å
285	Q	82.2	Confident	74.4	Confident	83 Å²	83	63.4 Å²	63.4	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-70.4	-43.3	179.1	-175.4	-178	-5.8	0	0	110.8	F282 A283 N288 Q289	F282-Q285 WeakPolarHBondContact O-CB 3.41Å; F282-Q285 PolarHBondContact O-N 3.05Å; A283-Q285 VanDerWaalsContact C-N 3.29Å; A283-Q285 PolarHBondContact O-N 2.61Å; Q285-N288 PolarHBondContact O-N 3.07Å; Q285-Q289 PolarHBondContact O-N 2.76Å
286	T	85	Confident	75.9	Confident	12 Å²	12	61 Å²	61	7%	0.074	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-45.9	176.7	-59	0	0	0	0	110.9	F235 I247 V270 F282 A283 Q289 L290	F235-T286 HydrophobicContact CB-CG2 3.82Å; I247-T286 HydrophobicContact CD1-CG2 3.39Å; I247-T286 VanDerWaalsContact CD1-O 3.29Å; I247-T286 WeakPolarHBondContact CD1-O 3.4Å; V270-T286 HydrophobicContact CB-CG2 4.33Å; V270-T286 HydrophobicContact CG1-CG2 4.13Å; F282-T286 PolarHBondContact O-N 3.42Å; A283-T286 PolarHBondContact O-N 3.01Å; T286-Q289 PolarHBondContact O-N 3.44Å; T286-L290 PolarHBondContact O-N 2.88Å
287	I	84.6	Confident	77.6	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-58	-53	173.9	-64	171.8	0	0	0	110.6	V270 A283 Q289 L290 L291	V270-I287 WeakPolarHBondContact O-CD1 3.14Å; V270-I287 WeakPolarHBondContact O-CG1 3.03Å; A283-I287 WeakPolarHBondContact O-CG1 3.39Å; A283-I287 PolarHBondContact O-N 3.01Å; I287-Q289 PolarHBondContact O-N 2.84Å; I287-L290 WeakPolarHBondContact O-CA 3.41Å; I287-L290 WeakPolarHBondContact O-CB 3.22Å; I287-L290 PolarHBondContact O-N 2.85Å; I287-L291 HydrophobicContact CG2-CD1 3.97Å; I287-L291 HydrophobicContact CG2-CG 4.08Å; I287-L291 VanDerWaalsContact O-CG 3.31Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 2.95Å
288	N	87.4	Confident	78.6	Confident	86 Å²	86	54.8 Å²	54.8	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-32.9	-177.8	-73.6	-34.6	0	0	0	112	N284 Q285 A292	N284-N288 WeakPolarHBondContact O-CB 3.32Å; N284-N288 PolarHBondContact O-N 2.75Å; N284-N288 PolarHBondContact O-ND2 3.09Å; Q285-N288 PolarHBondContact O-N 3.07Å; N288-A292 WeakPolarHBondContact O-CB 3.49Å; N288-A292 PolarHBondContact O-N 2.57Å
289	Q	90.2	Very high	79.2	Confident	27 Å²	27	50.9 Å²	50.9	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-44.3	172.9	-170.9	63.2	44.5	0	0	111.8	A244 I247 R248 Q285 T286 I287 L291 A292 E293	A244-Q289 HydrophobicContact CB-CB 3.86Å; A244-Q289 HydrophobicContact CB-CG 3.97Å; I247-Q289 HydrophobicContact CB-CG 4.26Å; I247-Q289 HydrophobicContact CG2-CG 4.04Å; R248-Q289 HydrophobicContact CG-CG 4.13Å; R248-Q289 VanDerWaalsContact CG-NE2 3.31Å; Q285-Q289 PolarHBondContact O-N 2.76Å; T286-Q289 PolarHBondContact O-N 3.44Å; I287-Q289 PolarHBondContact O-N 2.84Å; Q289-L291 VanDerWaalsContact C-N 3.31Å; Q289-L291 PolarHBondContact O-N 3.5Å; Q289-A292 PolarHBondContact O-N 2.7Å; Q289-E293 PolarHBondContact NE2-OE1 3.09Å; Q289-E293 WeakPolarHBondContact O-CG 3.4Å; Q289-E293 PolarHBondContact O-N 3.03Å
290	L	90.8	Very high	79.8	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-45.8	174.3	-178.4	58.5	0	0	0	111.1	I247 F251 I264 T286 I287 A292 E293 M294 L319	I247-L290 HydrophobicContact CD1-CB 4.07Å; I247-L290 HydrophobicContact CG2-CB 4.48Å; I247-L290 HydrophobicContact CG2-CD1 4.4Å; F251-L290 HydrophobicContact CE2-CD1 3.74Å; F251-L290 HydrophobicContact CZ-CD1 4.11Å; I264-L290 HydrophobicContact CD1-CD1 4.15Å; T286-L290 PolarHBondContact O-N 2.88Å; I287-L290 WeakPolarHBondContact O-CA 3.41Å; I287-L290 WeakPolarHBondContact O-CB 3.22Å; I287-L290 PolarHBondContact O-N 2.85Å; L290-A292 VanDerWaalsContact C-N 3.34Å; L290-A292 PolarHBondContact O-N 3.36Å; L290-E293 PolarHBondContact O-N 2.72Å; L290-M294 HydrophobicContact CD1-CG 4.33Å; L290-M294 WeakPolarHBondContact O-CB 3.27Å; L290-M294 VanDerWaalsContact O-CG 3.25Å; L290-M294 WeakPolarHBondContact O-CG 3.38Å; L290-M294 PolarHBondContact O-N 3.23Å; L290-L319 HydrophobicContact CD2-CD2 3.98Å; L290-L319 HydrophobicContact CG-CD2 4.41Å
291	L	89.6	Confident	80.8	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-44.4	175.9	-63.9	-178.2	0	0	0	111.9	I287 Q289 M294 D295 A318 L319	I287-L291 HydrophobicContact CG2-CD1 3.97Å; I287-L291 HydrophobicContact CG2-CG 4.08Å; I287-L291 VanDerWaalsContact O-CG 3.31Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 2.95Å; Q289-L291 VanDerWaalsContact C-N 3.31Å; Q289-L291 PolarHBondContact O-N 3.5Å; L291-M294 PolarHBondContact O-N 2.89Å; L291-D295 WeakPolarHBondContact O-CB 3.22Å; L291-D295 PolarHBondContact O-N 3.14Å; L291-A318 HydrophobicContact CD1-CB 4.06Å; L291-L319 HydrophobicContact CD2-CD2 3.41Å; L291-L319 VanDerWaalsContact CD2-CD2 3.41Å; L291-L319 HydrophobicContact CD2-CG 4Å; L291-L319 HydrophobicContact CG-CD2 4.4Å
292	A	90.8	Very high	81.9	Confident	53 Å²	53	46 Å²	46	44%	0.438	25%	0.252	S	S	.	.	H	α-helix	trans	-65.2	-40	179.2	0	0	0	0	0	112.5	N288 Q289 L290 G296	N288-A292 WeakPolarHBondContact O-CB 3.49Å; N288-A292 PolarHBondContact O-N 2.57Å; Q289-A292 PolarHBondContact O-N 2.7Å; L290-A292 VanDerWaalsContact C-N 3.34Å; L290-A292 PolarHBondContact O-N 3.36Å; A292-G296 WeakPolarHBondContact O-CA 3.43Å; A292-G296 PolarHBondContact O-N 2.94Å
293	E	91.6	Very high	83.2	Confident	30 Å²	30	42.6 Å²	42.6	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-43.6	174.9	-66.6	-54.7	150.8	0	0	111.6	I247 R248 F251 Q289 L290 D295 G296 F297	I247-E293 HydrophobicContact CG2-CB 4.49Å; I247-E293 HydrophobicContact CG2-CG 3.85Å; R248-E293 WeakPolarHBondContact CG-OE1 3.23Å; F251-E293 HydrophobicContact CB-CB 4.22Å; F251-E293 HydrophobicContact CB-CG 4.13Å; F251-E293 HydrophobicContact CD1-CB 3.98Å; F251-E293 HydrophobicContact CD2-CB 3.43Å; F251-E293 VanDerWaalsContact CD2-CB 3.43Å; F251-E293 HydrophobicContact CD2-CG 3.68Å; F251-E293 HydrophobicContact CE1-CB 4.2Å; F251-E293 HydrophobicContact CE2-CB 3.68Å; F251-E293 HydrophobicContact CE2-CG 4.3Å; F251-E293 HydrophobicContact CG-CB 3.59Å; F251-E293 HydrophobicContact CG-CG 3.94Å; F251-E293 HydrophobicContact CZ-CB 4.05Å; Q289-E293 PolarHBondContact NE2-OE1 3.09Å; Q289-E293 WeakPolarHBondContact O-CG 3.4Å; Q289-E293 PolarHBondContact O-N 3.03Å; L290-E293 PolarHBondContact O-N 2.72Å; E293-D295 VanDerWaalsContact C-N 3.34Å; E293-D295 PolarHBondContact O-N 3.33Å; E293-G296 PolarHBondContact O-N 2.8Å; E293-F297 VanDerWaalsContact O-CD1 3.22Å; E293-F297 WeakPolarHBondContact O-CD1 3.45Å; E293-F297 PolarHBondContact O-N 3.17Å
294	M	90.1	Very high	84.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-41.7	176.4	-72	-64.5	-63	0	0	112.7	K200 F251 L290 L291 G296 F297 V305 R324	K200-M294 HydrophobicContact CB-CE 4.04Å; K200-M294 WeakPolarHBondContact CD-O 3.35Å; K200-M294 PolarHBondContact NZ-O 3.06Å; F251-M294 HydrophobicContact CE1-SD 4.14Å; F251-M294 HydrophobicContact CZ-CG 4.28Å; F251-M294 HydrophobicContact CZ-SD 3.77Å; L290-M294 HydrophobicContact CD1-CG 4.33Å; L290-M294 WeakPolarHBondContact O-CB 3.27Å; L290-M294 VanDerWaalsContact O-CG 3.25Å; L290-M294 WeakPolarHBondContact O-CG 3.38Å; L290-M294 PolarHBondContact O-N 3.23Å; L291-M294 PolarHBondContact O-N 2.89Å; M294-G296 VanDerWaalsContact C-N 3.28Å; M294-F297 HydrophobicContact CE-CE1 4.39Å; M294-F297 HydrophobicContact CE-CZ 4.34Å; M294-F297 HydrophobicContact SD-CE1 3.85Å; M294-F297 HydrophobicContact SD-CZ 4.31Å; M294-V305 HydrophobicContact CE-CB 4.15Å; M294-V305 HydrophobicContact CE-CG2 4.18Å; M294-V305 HydrophobicContact SD-CB 3.95Å; M294-V305 HydrophobicContact SD-CG1 4.2Å; M294-V305 HydrophobicContact SD-CG2 3.6Å; M294-V305 VanDerWaalsContact SD-CG2 3.6Å; M294-R324 HydrophobicContact CB-CG 4.25Å; M294-R324 WeakPolarHBondContact CE-O 3.43Å
295	D	88.9	Confident	85.4	Confident	84 Å²	84	39.2 Å²	39.2	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-70.7	-29.7	175.7	-65.9	-15.7	0	0	0	110.9	K200 L291 E293 R324	K200-D295 PolarHBondContact NZ-O 3.06Å; L291-D295 WeakPolarHBondContact O-CB 3.22Å; L291-D295 PolarHBondContact O-N 3.14Å; E293-D295 VanDerWaalsContact C-N 3.34Å; E293-D295 PolarHBondContact O-N 3.33Å; D295-R324 IonicContact OD1-CZ 2.97Å; D295-R324 IonicContact OD1-NE 2.66Å; D295-R324 PolarHBondContact OD1-NE 3.41Å; D295-R324 IonicContact OD1-NH2 3.2Å; D295-R324 IonicContact OD2-CZ 2.63Å; D295-R324 IonicContact OD2-NE 3.23Å; D295-R324 IonicContact OD2-NH2 3.33Å; D295-R324 PolarHBondContact OD2-NH2 3.21Å
296	G	84.4	Confident	86.1	Confident	50 Å²	50	35.2 Å²	35.2	52%	0.515	20%	0.197	S	C	.	.	H	α-helix	trans	-81.8	-20.3	-168	0	0	0	0	0	117.6	A292 E293 M294	A292-G296 WeakPolarHBondContact O-CA 3.43Å; A292-G296 PolarHBondContact O-N 2.94Å; E293-G296 PolarHBondContact O-N 2.8Å; M294-G296 VanDerWaalsContact C-N 3.28Å
297	F	81	Confident	86.6	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.193	C	C	.	.	S	Bend	trans	-93.9	144	174.5	70	-96	0	0	0	112.1	K200 F251 E293 M294 E301 I303 V305	K200-F297 HydrophobicContact CB-CE2 4.16Å; K200-F297 HydrophobicContact CB-CZ 3.87Å; K200-F297 HydrophobicContact CD-CD2 4.32Å; K200-F297 HydrophobicContact CD-CE1 4.42Å; K200-F297 HydrophobicContact CD-CE2 3.78Å; K200-F297 HydrophobicContact CD-CZ 3.83Å; K200-F297 WeakPolarHBondContact CE-O 3.5Å; K200-F297 HydrophobicContact CG-CE2 4.09Å; K200-F297 HydrophobicContact CG-CZ 4.23Å; K200-F297 PolarHBondContact NZ-O 3.49Å; F251-F297 HydrophobicContact CD1-CD1 4.13Å; F251-F297 HydrophobicContact CD1-CE1 4.33Å; F251-F297 AromaticContact CE1-CD1 3.89Å; F251-F297 HydrophobicContact CE1-CD1 3.89Å; F251-F297 AromaticContact CE1-CE1 3.64Å; F251-F297 HydrophobicContact CE1-CE1 3.64Å; E293-F297 VanDerWaalsContact O-CD1 3.22Å; E293-F297 WeakPolarHBondContact O-CD1 3.45Å; E293-F297 PolarHBondContact O-N 3.17Å; M294-F297 HydrophobicContact CE-CE1 4.39Å; M294-F297 HydrophobicContact CE-CZ 4.34Å; M294-F297 HydrophobicContact SD-CE1 3.85Å; M294-F297 HydrophobicContact SD-CZ 4.31Å; F297-E301 WeakPolarHBondContact CB-OE2 3.37Å; F297-I303 HydrophobicContact CD2-CB 4.38Å; F297-I303 HydrophobicContact CE2-CB 4.27Å; F297-I303 WeakPolarHBondContact CE2-O 3.39Å; F297-V305 HydrophobicContact CE1-CG2 4.33Å; F297-V305 HydrophobicContact CZ-CG2 4.18Å
298	Q	75.9	Confident	87.1	Confident	125 Å²	125	34.5 Å²	34.5	58%	0.584	19%	0.192	S	C	*	.			trans	-79.6	142.5	175.8	-60.3	-170.6	14.6	0	0	110.5	K300 E301	Q298-K300 HydrophobicContact CB-CB 4.5Å; Q298-K300 PolarHBondContact O-N 2.98Å; Q298-E301 HydrophobicContact CB-CG 4.36Å; Q298-E301 PolarHBondContact N-OE1 3.42Å; Q298-E301 WeakPolarHBondContact O-CB 3.23Å; Q298-E301 PolarHBondContact O-N 3.2Å
299	S	68.8	Low	87.4	Confident	31 Å²	31	30.4 Å²	30.4	22%	0.217	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.7	-16.6	174.2	-56.2	0	0	0	0	113.3	L198 E301	L198-S299 PolarHBondContact O-OG 3.28Å; S299-E301 VanDerWaalsContact C-N 3.29Å
300	K	70.3	Confident	87.6	Confident	146 Å²	146	32 Å²	32	64%	0.635	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-74.1	-17	175.1	-62.5	-176.6	178.4	-176	0	113.8	Q298 G302	Q298-K300 HydrophobicContact CB-CB 4.5Å; Q298-K300 PolarHBondContact O-N 2.98Å; K300-G302 PolarHBondContact O-N 3.49Å
301	E	77.7	Confident	87.4	Confident	59 Å²	59	36 Å²	36	28%	0.276	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-74.2	-1.2	-179.9	-66.7	172.4	-144.6	0	0	112.6	K255 S258 F297 Q298 S299 I303	K255-E301 WeakPolarHBondContact CE-OE2 3.26Å; S258-E301 WeakPolarHBondContact CB-O 3.37Å; S258-E301 PolarHBondContact OG-O 3.03Å; F297-E301 WeakPolarHBondContact CB-OE2 3.37Å; Q298-E301 HydrophobicContact CB-CG 4.36Å; Q298-E301 PolarHBondContact N-OE1 3.42Å; Q298-E301 WeakPolarHBondContact O-CB 3.23Å; Q298-E301 PolarHBondContact O-N 3.2Å; S299-E301 VanDerWaalsContact C-N 3.29Å; E301-I303 HydrophobicContact CB-CD1 4.22Å; E301-I303 HydrophobicContact CB-CG1 4.32Å; E301-I303 PolarHBondContact O-N 3.44Å
302	G	85.3	Confident	87.3	Confident	6 Å²	6	36.4 Å²	36.4	6%	0.062	20%	0.204	C	C	.	.			trans	62.6	26.6	175.5	0	0	0	0	0	114.3	P259 C260 K300	P259-G302 VanDerWaalsContact CA-O 3.29Å; P259-G302 WeakPolarHBondContact CA-O 3.33Å; P259-G302 WeakPolarHBondContact CB-O 3.42Å; C260-G302 PolarHBondContact N-O 3.24Å; K300-G302 PolarHBondContact O-N 3.49Å
303	I	91.4	Very high	87.1	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.3	175.5	-56.7	170.1	0	0	0	107.8	A254 K255 V262 F297 E301	A254-I303 HydrophobicContact CB-CD1 4.12Å; A254-I303 HydrophobicContact CB-CG2 4.19Å; K255-I303 HydrophobicContact CG-CD1 3.85Å; V262-I303 HydrophobicContact CG2-CG2 4.02Å; F297-I303 HydrophobicContact CD2-CB 4.38Å; F297-I303 HydrophobicContact CE2-CB 4.27Å; F297-I303 WeakPolarHBondContact CE2-O 3.39Å; E301-I303 HydrophobicContact CB-CD1 4.22Å; E301-I303 HydrophobicContact CB-CG1 4.32Å; E301-I303 PolarHBondContact O-N 3.44Å
304	I	92.9	Very high	86.9	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.4	172.1	-58.3	-174.8	0	0	0	108.9	V181 F184 L185 C260 L261 V262 L306	V181-I304 HydrophobicContact CG1-CD1 3.91Å; V181-I304 HydrophobicContact CG1-CG2 4.09Å; F184-I304 HydrophobicContact CB-CD1 3.81Å; F184-I304 HydrophobicContact CD2-CD1 4.48Å; L185-I304 HydrophobicContact CD2-CB 4.06Å; L185-I304 HydrophobicContact CD2-CD1 3.77Å; L185-I304 HydrophobicContact CD2-CG1 3.75Å; L185-I304 HydrophobicContact CG-CD1 3.77Å; L185-I304 HydrophobicContact CG-CG1 4.32Å; C260-I304 PolarHBondContact O-N 3.42Å; L261-I304 HydrophobicContact CD1-CB 4.16Å; L261-I304 HydrophobicContact CD1-CG2 4.31Å; V262-I304 PolarHBondContact N-O 3.11Å; I304-L306 HydrophobicContact CG2-CD2 4.47Å
305	V	95	Very high	86.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.8	179.3	-173	0	0	0	0	110.7	K200 G201 V202 F251 V262 I264 M294 F297 F325	K200-V305 PolarHBondContact O-N 2.83Å; G201-V305 CarbonylContact C-O 3.57Å; G201-V305 WeakPolarHBondContact CA-O 3.39Å; V202-V305 PolarHBondContact N-O 3.37Å; F251-V305 HydrophobicContact CE1-CG2 4.04Å; F251-V305 HydrophobicContact CZ-CG2 4.16Å; V262-V305 HydrophobicContact CB-CG1 4.36Å; V262-V305 HydrophobicContact CB-CG2 4.17Å; V262-V305 HydrophobicContact CG1-CG1 4.34Å; V262-V305 CarbonylContact O-C 3.6Å; V262-V305 WeakPolarHBondContact O-CA 3.49Å; I264-V305 HydrophobicContact CD1-CG1 4.1Å; I264-V305 HydrophobicContact CG1-CG1 4.39Å; M294-V305 HydrophobicContact CE-CB 4.15Å; M294-V305 HydrophobicContact CE-CG2 4.18Å; M294-V305 HydrophobicContact SD-CB 3.95Å; M294-V305 HydrophobicContact SD-CG1 4.2Å; M294-V305 HydrophobicContact SD-CG2 3.6Å; M294-V305 VanDerWaalsContact SD-CG2 3.6Å; F297-V305 HydrophobicContact CE1-CG2 4.33Å; F297-V305 HydrophobicContact CZ-CG2 4.18Å; V305-F325 HydrophobicContact CG1-CE1 4.1Å; V305-F325 HydrophobicContact CG1-CZ 4.08Å
306	L	95.8	Very high	86.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.3	169.5	-62.9	-172	0	0	0	109.9	V202 A216 L261 V262 F263 I264 I304	V202-L306 HydrophobicContact CB-CD2 3.56Å; V202-L306 HydrophobicContact CG1-CD2 4.3Å; V202-L306 HydrophobicContact CG2-CD2 4.07Å; V202-L306 CarbonylContact O-C 3.57Å; V202-L306 VanDerWaalsContact O-CA 3.31Å; V202-L306 WeakPolarHBondContact O-CA 3.37Å; A216-L306 HydrophobicContact CB-CD1 3.86Å; L261-L306 HydrophobicContact CD1-CD1 3.87Å; L261-L306 HydrophobicContact CD1-CD2 4.46Å; L261-L306 HydrophobicContact CD1-CG 3.66Å; L261-L306 HydrophobicContact CD2-CD1 3.84Å; L261-L306 HydrophobicContact CD2-CG 4.5Å; L261-L306 HydrophobicContact CG-CD1 4.18Å; L261-L306 HydrophobicContact CG-CG 4.31Å; V262-L306 PolarHBondContact O-N 2.92Å; F263-L306 CarbonylContact C-O 3.45Å; F263-L306 VanDerWaalsContact CA-O 3.32Å; F263-L306 WeakPolarHBondContact CA-O 3.4Å; F263-L306 HydrophobicContact CD2-CB 3.76Å; I264-L306 PolarHBondContact N-O 3.34Å; I304-L306 HydrophobicContact CG2-CD2 4.47Å
307	G	95.5	Very high	86.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.2	169.3	0	0	0	0	0	110.2	V202 L203 L204 I264	V202-G307 PolarHBondContact O-N 3.16Å; L203-G307 CarbonylContact C-O 3.54Å; L203-G307 WeakPolarHBondContact CA-O 3.31Å; L204-G307 PolarHBondContact N-O 3.4Å; I264-G307 CarbonylContact O-C 3.46Å; I264-G307 WeakPolarHBondContact O-CA 3.46Å
308	A	95.8	Very high	87.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.9	168	0	0	0	0	0	111.1	L204 K212 F263 I264 E266 I267	L204-A308 HydrophobicContact CB-CB 4.46Å; L204-A308 WeakPolarHBondContact O-CA 3.26Å; K212-A308 HydrophobicContact CB-CB 4.13Å; K212-A308 HydrophobicContact CD-CB 4.05Å; F263-A308 HydrophobicContact CE2-CB 3.83Å; F263-A308 HydrophobicContact CZ-CB 3.62Å; I264-A308 PolarHBondContact O-N 3.37Å; E266-A308 WeakPolarHBondContact CA-O 3.43Å; E266-A308 PolarHBondContact N-O 2.91Å; E266-A308 VanDerWaalsContact N-O 3.09Å; I267-A308 PolarHBondContact N-O 3.38Å
309	T	94	Very high	87.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.8	173.7	179.9	0	0	0	0	110.9	L203 L204 V205 G206 Q311 A312	L203-T309 HydrophobicContact CD1-CG2 3.88Å; L203-T309 HydrophobicContact CD2-CG2 4.19Å; L203-T309 HydrophobicContact CG-CG2 4.18Å; L204-T309 PolarHBondContact O-N 3.29Å; V205-T309 HydrophobicContact CG1-CG2 4.49Å; V205-T309 HydrophobicContact CG2-CG2 3.95Å; G206-T309 PolarHBondContact N-O 2.98Å; T309-Q311 PolarHBondContact OG1-N 3.12Å; T309-Q311 PolarHBondContact OG1-O 3.38Å; T309-A312 HydrophobicContact CG2-CB 4.47Å
310	N	93.5	Very high	88.8	Confident	59 Å²	59	39.1 Å²	39.1	32%	0.316	19%	0.192	S	C	.	.	S	Bend	trans	-87.4	-18.4	169	-60.1	-44	0	0	0	112.2	G206 K212	G206-N310 WeakPolarHBondContact O-CA 3.34Å; G206-N310 PolarHBondContact O-OD1 2.97Å; K212-N310 PolarHBondContact NZ-OD1 2.95Å
311	Q	87.4	Confident	89.8	Confident	89 Å²	89	39.7 Å²	39.7	42%	0.416	19%	0.19	S	C	.	.			trans	-137.7	99.3	-173.3	-68.3	173.1	94.9	0	0	109.5	T309 V314	T309-Q311 PolarHBondContact OG1-N 3.12Å; T309-Q311 PolarHBondContact OG1-O 3.38Å; Q311-V314 HydrophobicContact CB-CB 4.36Å; Q311-V314 HydrophobicContact CB-CG2 4.09Å
312	A	87.5	Confident	90.4	Very high	20 Å²	20	42.7 Å²	42.7	17%	0.165	22%	0.215	C	C	.	.	S	Bend	trans	-76.5	-28.7	179.3	0	0	0	0	0	112.1	V205 T309 V314 L315	V205-A312 HydrophobicContact CG1-CB 3.71Å; V205-A312 HydrophobicContact CG2-CB 3.96Å; T309-A312 HydrophobicContact CG2-CB 4.47Å; A312-V314 VanDerWaalsContact C-N 3.31Å; A312-V314 PolarHBondContact O-N 3.46Å; A312-L315 WeakPolarHBondContact O-CB 3.44Å; A312-L315 PolarHBondContact O-N 3.45Å
313	E	87.1	Confident	90.4	Very high	137 Å²	137	43.6 Å²	43.6	64%	0.64	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.9	-178	62.8	-76.6	175.8	0	0	114	N273	N273-E313 PolarHBondContact ND2-O 2.74Å
314	V	86	Confident	90.5	Very high	54 Å²	54	45 Å²	45	33%	0.327	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.4	176.8	-176	0	0	0	0	111.3	G272 N273 Q311 A312	G272-V314 CarbonylContact C-O 3.55Å; G272-V314 WeakPolarHBondContact CA-O 3.49Å; N273-V314 VanDerWaalsContact CG-O 3.27Å; N273-V314 PolarHBondContact N-O 2.89Å; N273-V314 PolarHBondContact ND2-O 2.93Å; Q311-V314 HydrophobicContact CB-CB 4.36Å; Q311-V314 HydrophobicContact CB-CG2 4.09Å; A312-V314 VanDerWaalsContact C-N 3.31Å; A312-V314 PolarHBondContact O-N 3.46Å
315	L	86.6	Confident	90.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-73.9	141.4	-175.8	-162.2	72.7	0	0	0	112.6	L203 I267 G271 A312 K317 L319 L320	L203-L315 HydrophobicContact CD2-CD2 3.95Å; I267-L315 HydrophobicContact CD1-CD1 3.87Å; I267-L315 HydrophobicContact CD1-CD2 3.71Å; I267-L315 HydrophobicContact CD1-CG 4.47Å; I267-L315 HydrophobicContact CG1-CD1 3.91Å; I267-L315 HydrophobicContact CG1-CD2 4.49Å; G271-L315 CarbonylContact O-C 3.54Å; G271-L315 WeakPolarHBondContact O-CA 3.41Å; A312-L315 WeakPolarHBondContact O-CB 3.44Å; A312-L315 PolarHBondContact O-N 3.45Å; L315-K317 PolarHBondContact O-N 3.44Å; L315-L319 HydrophobicContact CD1-CD1 3.75Å; L315-L319 HydrophobicContact CD2-CB 4.23Å; L315-L319 HydrophobicContact CD2-CD1 4.29Å; L315-L319 HydrophobicContact CG-CB 4.47Å; L315-L319 HydrophobicContact CG-CD1 3.9Å; L315-L320 HydrophobicContact CD2-CD2 3.82Å; L315-L320 HydrophobicContact CD2-CG 4.35Å
316	D	86.8	Confident	90.1	Very high	16 Å²	16	48 Å²	48	9%	0.086	25%	0.245	C	C	.	.			trans	-59.6	120.5	174.4	-172.6	-23	0	0	0	109.6	G271 R274 A318 L319	G271-D316 PolarHBondContact O-N 2.88Å; R274-D316 IonicContact CZ-OD2 3.88Å; R274-D316 IonicContact NE-OD2 3.96Å; R274-D316 PolarHBondContact NE-OD2 3.24Å; R274-D316 IonicContact NH2-OD2 3.79Å; D316-A318 PolarHBondContact O-N 3.42Å; D316-A318 VanDerWaalsContact OD1-CB 3.27Å; D316-A318 WeakPolarHBondContact OD1-CB 3.47Å; D316-A318 PolarHBondContact OD1-N 3.39Å; D316-L319 WeakPolarHBondContact O-CB 3.38Å; D316-L319 PolarHBondContact O-N 2.91Å
317	K	88.4	Confident	90	Very high	165 Å²	165	50.6 Å²	50.6	72%	0.717	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-18.9	177.9	-63.6	-177	179.5	-178.8	0	113.5	L315 L319 L320	L315-K317 PolarHBondContact O-N 3.44Å; K317-L319 VanDerWaalsContact C-N 3.29Å; K317-L319 PolarHBondContact O-N 2.69Å; K317-L320 PolarHBondContact O-N 2.99Å
318	A	88	Confident	89.9	Confident	9 Å²	9	54.4 Å²	54.4	7%	0.074	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.3	172.4	0	0	0	0	0	112.9	L291 D316 L320 R324	L291-A318 HydrophobicContact CD1-CB 4.06Å; D316-A318 PolarHBondContact O-N 3.42Å; D316-A318 VanDerWaalsContact OD1-CB 3.27Å; D316-A318 WeakPolarHBondContact OD1-CB 3.47Å; D316-A318 PolarHBondContact OD1-N 3.39Å; A318-L320 VanDerWaalsContact C-N 3.32Å; A318-R324 WeakPolarHBondContact O-CD 3.47Å; A318-R324 PolarHBondContact O-NH1 3.5Å
319	L	89.6	Confident	89.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.2	177.6	-74.4	166	0	0	0	112.3	L290 L291 L315 D316 K317 R321 R324 F325	L290-L319 HydrophobicContact CD2-CD2 3.98Å; L290-L319 HydrophobicContact CG-CD2 4.41Å; L291-L319 HydrophobicContact CD2-CD2 3.41Å; L291-L319 VanDerWaalsContact CD2-CD2 3.41Å; L291-L319 HydrophobicContact CD2-CG 4Å; L291-L319 HydrophobicContact CG-CD2 4.4Å; L315-L319 HydrophobicContact CD1-CD1 3.75Å; L315-L319 HydrophobicContact CD2-CB 4.23Å; L315-L319 HydrophobicContact CD2-CD1 4.29Å; L315-L319 HydrophobicContact CG-CB 4.47Å; L315-L319 HydrophobicContact CG-CD1 3.9Å; D316-L319 WeakPolarHBondContact O-CB 3.38Å; D316-L319 PolarHBondContact O-N 2.91Å; K317-L319 VanDerWaalsContact C-N 3.29Å; K317-L319 PolarHBondContact O-N 2.69Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 2.78Å; L319-R324 WeakPolarHBondContact O-CB 3.46Å; L319-F325 HydrophobicContact CB-CD2 4.19Å; L319-F325 HydrophobicContact CD2-CD2 4.33Å; L319-F325 HydrophobicContact CD2-CE2 4.22Å; L319-F325 WeakPolarHBondContact O-CB 3.39Å; L319-F325 PolarHBondContact O-N 3.17Å
320	L	91.3	Very high	89.9	Confident	48 Å²	48	60 Å²	60	25%	0.251	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5.9	-177.4	-55.7	-179	0	0	0	114.2	L203 L315 K317 A318	L203-L320 HydrophobicContact CD2-CD2 3.62Å; L315-L320 HydrophobicContact CD2-CD2 3.82Å; L315-L320 HydrophobicContact CD2-CG 4.35Å; K317-L320 PolarHBondContact O-N 2.99Å; A318-L320 VanDerWaalsContact C-N 3.32Å
321	R	91.2	Very high	89.9	Confident	158 Å²	158	57.3 Å²	57.3	60%	0.596	29%	0.29	S	S	*	.	S	Bend	trans	-77.1	150.9	180	-70.3	-177.6	179.3	-177.5	-1.4	111	L319 G323 R324	L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 2.78Å; R321-G323 PolarHBondContact O-N 2.91Å; R321-R324 PolarHBondContact O-N 2.83Å; R321-R324 VanDerWaalsContact O-N 3.14Å
322	P	88.7	Confident	90.2	Very high	122 Å²	122	56.8 Å²	56.8	79%	0.792	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	136.1	175.9	-28.8	35.6	0	0	0	113
323	G	87.1	Confident	90.5	Very high	24 Å²	24	58.1 Å²	58.1	25%	0.247	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	0.5	-175.9	0	0	0	0	0	115.5	K200 R321	K200-G323 WeakPolarHBondContact CD-O 3.34Å; R321-G323 PolarHBondContact O-N 2.91Å
324	R	91.8	Very high	90.8	Very high	35 Å²	35	52 Å²	52	13%	0.132	28%	0.276	C	S	.	.	S	Bend	trans	-117.7	-109.2	174.1	-64.7	163.7	178.1	-173.7	-3.7	109.1	G201 M294 D295 A318 L319 R321 D326	G201-R324 WeakPolarHBondContact CA-O 3.27Å; G201-R324 PolarHBondContact N-O 2.58Å; M294-R324 HydrophobicContact CB-CG 4.25Å; M294-R324 WeakPolarHBondContact CE-O 3.43Å; D295-R324 IonicContact OD1-CZ 2.97Å; D295-R324 IonicContact OD1-NE 2.66Å; D295-R324 PolarHBondContact OD1-NE 3.41Å; D295-R324 IonicContact OD1-NH2 3.2Å; D295-R324 IonicContact OD2-CZ 2.63Å; D295-R324 IonicContact OD2-NE 3.23Å; D295-R324 IonicContact OD2-NH2 3.33Å; D295-R324 PolarHBondContact OD2-NH2 3.21Å; A318-R324 WeakPolarHBondContact O-CD 3.47Å; A318-R324 PolarHBondContact O-NH1 3.5Å; L319-R324 WeakPolarHBondContact O-CB 3.46Å; R321-R324 PolarHBondContact O-N 2.83Å; R321-R324 VanDerWaalsContact O-N 3.14Å; R324-D326 PolarHBondContact O-N 2.81Å
325	F	92.6	Very high	91.1	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	78.7	165	-66.5	-70.2	0	0	0	109	G201 L203 I267 V305 L319	G201-F325 WeakPolarHBondContact O-CA 3.43Å; L203-F325 HydrophobicContact CB-CB 4.17Å; L203-F325 HydrophobicContact CB-CD1 4.24Å; L203-F325 HydrophobicContact CB-CG 4.38Å; I267-F325 HydrophobicContact CD1-CD2 4.43Å; I267-F325 HydrophobicContact CD1-CE2 4.07Å; I267-F325 HydrophobicContact CD1-CZ 4.38Å; V305-F325 HydrophobicContact CG1-CE1 4.1Å; V305-F325 HydrophobicContact CG1-CZ 4.08Å; L319-F325 HydrophobicContact CB-CD2 4.19Å; L319-F325 HydrophobicContact CD2-CD2 4.33Å; L319-F325 HydrophobicContact CD2-CE2 4.22Å; L319-F325 WeakPolarHBondContact O-CB 3.39Å; L319-F325 PolarHBondContact O-N 3.17Å
326	D	88.4	Confident	91.4	Very high	68 Å²	68	56 Å²	56	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-20.4	-174.8	54.5	-2.9	0	0	0	113.5	P199 G201 R324	P199-D326 WeakPolarHBondContact CB-OD1 3.35Å; G201-D326 PolarHBondContact O-N 2.66Å; R324-D326 PolarHBondContact O-N 2.81Å
327	V	92.3	Very high	91.7	Very high	53 Å²	53	62.2 Å²	62.2	32%	0.321	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.3	171.6	-176.1	0	0	0	0	109.4	P199 G201 V202 L203 I329	P199-V327 HydrophobicContact CB-CG2 3.9Å; G201-V327 PolarHBondContact O-N 2.94Å; V202-V327 CarbonylContact C-O 3.45Å; V202-V327 WeakPolarHBondContact CA-O 3.4Å; V202-V327 HydrophobicContact CB-CB 4.38Å; V202-V327 HydrophobicContact CG1-CB 4.08Å; V202-V327 HydrophobicContact CG1-CG1 3.95Å; V202-V327 HydrophobicContact CG2-CB 4.12Å; L203-V327 PolarHBondContact N-O 2.99Å; V327-I329 HydrophobicContact CG1-CD1 4.45Å; V327-I329 HydrophobicContact CG1-CG1 4.04Å
328	Q	93.5	Very high	92	Very high	80 Å²	80	54.4 Å²	54.4	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.6	173.3	-60.6	-178	35.8	0	0	108.9	L203	L203-Q328 HydrophobicContact CB-CG 4.22Å; L203-Q328 HydrophobicContact CD2-CG 4.36Å; L203-Q328 WeakPolarHBondContact O-CA 3.22Å
329	I	94.9	Very high	92.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.9	-180	-54.7	-176.3	0	0	0	107.7	V174 E177 L178 V202 L203 L204 V205 V327	V174-I329 HydrophobicContact CB-CG2 4.49Å; V174-I329 HydrophobicContact CG1-CG2 3.87Å; V174-I329 HydrophobicContact CG2-CG2 4.38Å; E177-I329 HydrophobicContact CB-CD1 3.93Å; E177-I329 WeakPolarHBondContact OE2-CG1 3.35Å; E177-I329 WeakPolarHBondContact OE2-CG2 3.2Å; L178-I329 HydrophobicContact CD2-CD1 3.7Å; L178-I329 HydrophobicContact CG-CD1 4.2Å; V202-I329 HydrophobicContact CG1-CD1 3.55Å; V202-I329 HydrophobicContact CG1-CG1 3.74Å; L203-I329 PolarHBondContact O-N 3.1Å; L204-I329 WeakPolarHBondContact CA-O 3.49Å; L204-I329 HydrophobicContact CD2-CB 4.06Å; L204-I329 HydrophobicContact CD2-CG2 4.47Å; V205-I329 PolarHBondContact N-O 3.01Å; V327-I329 HydrophobicContact CG1-CD1 4.45Å; V327-I329 HydrophobicContact CG1-CG1 4.04Å
330	H	94.9	Very high	92.7	Very high	116 Å²	116	56 Å²	56	54%	0.537	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	115.6	178.1	-70.7	-78	0	0	0	110.4	V205 S332	V205-H330 CarbonylContact O-C 3.59Å; V205-H330 VanDerWaalsContact O-CA 3.3Å; V205-H330 WeakPolarHBondContact O-CA 3.23Å; H330-S332 PolarHBondContact O-N 2.96Å
331	V	94.9	Very high	92.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	30%	0.295	C	S	.	.			trans	-96.1	92.4	176.1	-167.4	0	0	0	0	108.9	V174 L204 V205 G206 V210 K212 L215	V174-V331 HydrophobicContact CG1-CG2 4.08Å; V174-V331 HydrophobicContact CG2-CG1 4.46Å; V174-V331 HydrophobicContact CG2-CG2 4.42Å; L204-V331 HydrophobicContact CB-CG2 4.33Å; L204-V331 HydrophobicContact CD2-CG2 4.33Å; V205-V331 PolarHBondContact O-N 3.38Å; G206-V331 WeakPolarHBondContact CA-O 3.43Å; V210-V331 HydrophobicContact CB-CG1 3.98Å; V210-V331 HydrophobicContact CG2-CB 3.95Å; V210-V331 HydrophobicContact CG2-CG1 3.53Å; K212-V331 HydrophobicContact CG-CB 4.47Å; K212-V331 HydrophobicContact CG-CG2 4.4Å; L215-V331 HydrophobicContact CD1-CG1 3.88Å; L215-V331 HydrophobicContact CD1-CG2 4.19Å
332	S	92.7	Very high	93.1	Very high	78 Å²	78	48.1 Å²	48.1	55%	0.545	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-77.1	160	177.7	-63.7	0	0	0	0	112.1	H330	H330-S332 PolarHBondContact O-N 2.96Å
333	P	93.1	Very high	93.4	Very high	49 Å²	49	42.3 Å²	42.3	32%	0.318	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-52.8	149.6	165.4	-24.4	34.7	0	0	0	111.8	P207	P207-P333 HydrophobicContact CG-CG 3.86Å
334	P	93.9	Very high	93.8	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.058	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.1	140.6	-174.6	24.7	-36.6	0	0	0	113.5	R339 L342 Y368 I373	P334-R339 HydrophobicContact CB-CG 3.99Å; P334-R339 HydrophobicContact CG-CG 3.76Å; P334-R339 PolarHBondContact O-NH1 3.42Å; P334-L342 HydrophobicContact CB-CD1 3.82Å; P334-L342 HydrophobicContact CG-CD1 3.73Å; P334-Y368 VanDerWaalsContact CD-O 3.25Å; P334-Y368 WeakPolarHBondContact CD-O 3.42Å; P334-Y368 VanDerWaalsContact CG-O 3.32Å; P334-Y368 WeakPolarHBondContact CG-O 3.16Å; P334-I373 HydrophobicContact CG-CD1 4.43Å
335	T	92.7	Very high	93.9	Very high	80 Å²	80	44.7 Å²	44.7	49%	0.491	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-64.6	171.5	169.2	63	0	0	0	0	111.2	E337 G338 R339	T335-E337 VanDerWaalsContact C-N 3.33Å; T335-E337 PolarHBondContact O-N 3.1Å; T335-G338 CarbonylContact O-C 3.46Å; T335-G338 WeakPolarHBondContact O-CA 3.24Å; T335-G338 PolarHBondContact O-N 3.24Å; T335-G338 PolarHBondContact OG1-N 3.43Å; T335-R339 WeakPolarHBondContact O-CG 3.32Å; T335-R339 PolarHBondContact O-N 3.46Å
336	Y	93.4	Very high	94.1	Very high	60 Å²	60	46.2 Å²	46.2	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-49	-51.2	175.4	175.2	-106.4	0	0	0	113.1	G338 R339 I340 E359 A362 H363	Y336-G338 VanDerWaalsContact C-N 3.33Å; Y336-G338 PolarHBondContact O-N 3.19Å; Y336-R339 PolarHBondContact O-N 3.5Å; Y336-I340 HydrophobicContact CD1-CD1 4.04Å; Y336-I340 HydrophobicContact CE1-CD1 3.43Å; Y336-I340 VanDerWaalsContact CE1-CD1 3.43Å; Y336-I340 HydrophobicContact CE2-CD1 4.1Å; Y336-I340 VanDerWaalsContact CZ-CD1 3.47Å; Y336-I340 PolarHBondContact O-N 2.67Å; Y336-E359 WeakPolarHBondContact OH-CB 3.47Å; Y336-A362 HydrophobicContact CD2-CB 4Å; Y336-A362 HydrophobicContact CE2-CB 3.7Å; Y336-H363 AromaticContact CD2-CE1 3.92Å; Y336-H363 AromaticContact CE2-CE1 3.35Å; Y336-H363 WeakPolarHBondContact CE2-CE1 3.46Å; Y336-H363 AromaticContact CE2-ND1 3.74Å; Y336-H363 AromaticContact CE2-NE2 3.53Å; Y336-H363 AromaticContact CZ-CE1 3.88Å; Y336-H363 AromaticContact CZ-NE2 3.81Å
337	E	93.2	Very high	94.4	Very high	146 Å²	146	43.4 Å²	43.4	68%	0.682	23%	0.232	S	C	*	.	H	α-helix	trans	-62.2	-40.9	177.4	-63.5	-179	172	0	0	111.7	T335 R339 I340 A341	T335-E337 VanDerWaalsContact C-N 3.33Å; T335-E337 PolarHBondContact O-N 3.1Å; E337-R339 VanDerWaalsContact C-N 3.34Å; E337-R339 PolarHBondContact O-N 2.83Å; E337-I340 WeakPolarHBondContact O-CB 3.44Å; E337-I340 PolarHBondContact O-N 3.17Å; E337-A341 PolarHBondContact O-N 3.34Å
338	G	94.1	Very high	94.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-38.4	175.6	0	0	0	0	0	113.3	T335 Y336 A341 L342	T335-G338 CarbonylContact O-C 3.46Å; T335-G338 WeakPolarHBondContact O-CA 3.24Å; T335-G338 PolarHBondContact O-N 3.24Å; T335-G338 PolarHBondContact OG1-N 3.43Å; Y336-G338 VanDerWaalsContact C-N 3.33Å; Y336-G338 PolarHBondContact O-N 3.19Å; G338-A341 PolarHBondContact O-N 2.93Å; G338-L342 WeakPolarHBondContact O-CB 3.31Å; G338-L342 VanDerWaalsContact O-CG 3.31Å; G338-L342 WeakPolarHBondContact O-CG 3.37Å; G338-L342 PolarHBondContact O-N 3.47Å
339	R	95.5	Very high	94.6	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-40.9	174.8	-67.1	-166.2	-55.5	-84.5	3.4	111.4	P334 T335 Y336 E337 A341 L342 L343 A362 T365 I373 D464	P334-R339 HydrophobicContact CB-CG 3.99Å; P334-R339 HydrophobicContact CG-CG 3.76Å; P334-R339 PolarHBondContact O-NH1 3.42Å; T335-R339 WeakPolarHBondContact O-CG 3.32Å; T335-R339 PolarHBondContact O-N 3.46Å; Y336-R339 PolarHBondContact O-N 3.5Å; E337-R339 VanDerWaalsContact C-N 3.34Å; E337-R339 PolarHBondContact O-N 2.83Å; R339-A341 VanDerWaalsContact C-N 3.33Å; R339-A341 PolarHBondContact O-N 3.28Å; R339-L342 PolarHBondContact O-N 3.08Å; R339-L343 VanDerWaalsContact O-CB 3.28Å; R339-L343 WeakPolarHBondContact O-CB 3.46Å; R339-L343 VanDerWaalsContact O-CG 3.23Å; R339-L343 WeakPolarHBondContact O-CG 3.31Å; R339-L343 PolarHBondContact O-N 2.83Å; R339-A362 HydrophobicContact CB-CB 4.39Å; R339-A362 PolarHBondContact NE-O 3.33Å; R339-A362 PolarHBondContact NH2-O 3.02Å; R339-T365 WeakPolarHBondContact CD-O 3.14Å; R339-I373 HydrophobicContact CB-CD1 4.15Å; R339-I373 HydrophobicContact CG-CD1 3.94Å; R339-D464 IonicContact CZ-OD1 3.73Å; R339-D464 IonicContact CZ-OD2 3.81Å; R339-D464 VanDerWaalsContact CZ-OD2 3.3Å; R339-D464 IonicContact NH1-OD2 3.59Å; R339-D464 PolarHBondContact NH1-OD2 2.92Å; R339-D464 IonicContact NH2-OD1 2.8Å; R339-D464 PolarHBondContact NH2-OD1 3.22Å; R339-D464 IonicContact NH2-OD2 3.03Å; R339-D464 PolarHBondContact NH2-OD2 3.41Å
340	I	95.8	Very high	94.6	Very high	39 Å²	39	54 Å²	54	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-46.6	172.8	-70.2	174.2	0	0	0	110.6	Y336 E337 L343 N344 I358 A362	Y336-I340 HydrophobicContact CD1-CD1 4.04Å; Y336-I340 HydrophobicContact CE1-CD1 3.43Å; Y336-I340 VanDerWaalsContact CE1-CD1 3.43Å; Y336-I340 HydrophobicContact CE2-CD1 4.1Å; Y336-I340 VanDerWaalsContact CZ-CD1 3.47Å; Y336-I340 PolarHBondContact O-N 2.67Å; E337-I340 WeakPolarHBondContact O-CB 3.44Å; E337-I340 PolarHBondContact O-N 3.17Å; I340-L343 PolarHBondContact O-N 3.43Å; I340-N344 WeakPolarHBondContact CG2-ND2 3.47Å; I340-N344 WeakPolarHBondContact O-CB 3.49Å; I340-N344 PolarHBondContact O-N 2.99Å; I340-N344 PolarHBondContact O-ND2 3.48Å; I340-I358 HydrophobicContact CG1-CG2 4.43Å; I340-I358 HydrophobicContact CG2-CG2 4.19Å; I340-A362 HydrophobicContact CG1-CB 3.71Å
341	A	95.3	Very high	94.5	Very high	29 Å²	29	56 Å²	56	24%	0.24	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-44.2	179.3	0	0	0	0	0	112	Q169 E337 G338 R339 N344 L345	Q169-A341 HydrophobicContact CB-CB 4.2Å; E337-A341 PolarHBondContact O-N 3.34Å; G338-A341 PolarHBondContact O-N 2.93Å; R339-A341 VanDerWaalsContact C-N 3.33Å; R339-A341 PolarHBondContact O-N 3.28Å; A341-N344 PolarHBondContact O-N 3.38Å; A341-L345 WeakPolarHBondContact O-CB 3.36Å; A341-L345 PolarHBondContact O-N 3.44Å
342	L	95.7	Very high	94.5	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-44	177	-74.2	164.7	0	0	0	112.3	Q169 P334 G338 R339 N344 L345 Y346 I373	Q169-L342 HydrophobicContact CB-CD2 4Å; Q169-L342 HydrophobicContact CB-CG 4.25Å; P334-L342 HydrophobicContact CB-CD1 3.82Å; P334-L342 HydrophobicContact CG-CD1 3.73Å; G338-L342 WeakPolarHBondContact O-CB 3.31Å; G338-L342 VanDerWaalsContact O-CG 3.31Å; G338-L342 WeakPolarHBondContact O-CG 3.37Å; G338-L342 PolarHBondContact O-N 3.47Å; R339-L342 PolarHBondContact O-N 3.08Å; L342-N344 VanDerWaalsContact C-N 3.35Å; L342-N344 PolarHBondContact O-N 2.89Å; L342-L345 WeakPolarHBondContact O-CB 3.46Å; L342-L345 PolarHBondContact O-N 3.25Å; L342-Y346 HydrophobicContact CD2-CE2 4.07Å; L342-Y346 WeakPolarHBondContact O-CD2 3.41Å; L342-Y346 PolarHBondContact O-N 3.06Å; L342-I373 HydrophobicContact CB-CD1 4.03Å; L342-I373 HydrophobicContact CB-CG2 4.27Å; L342-I373 HydrophobicContact CD1-CD1 4.07Å
343	L	96.7	Very high	94.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-47.4	175.3	-77	167.4	0	0	0	110.6	R339 I340 L345 Y346 L347 I358 L361 A362 I373 V377	R339-L343 VanDerWaalsContact O-CB 3.28Å; R339-L343 WeakPolarHBondContact O-CB 3.46Å; R339-L343 VanDerWaalsContact O-CG 3.23Å; R339-L343 WeakPolarHBondContact O-CG 3.31Å; R339-L343 PolarHBondContact O-N 2.83Å; I340-L343 PolarHBondContact O-N 3.43Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.4Å; L343-Y346 PolarHBondContact O-N 3.3Å; L343-L347 HydrophobicContact CB-CD1 4.46Å; L343-L347 WeakPolarHBondContact O-CB 3.33Å; L343-L347 WeakPolarHBondContact O-CG 3.27Å; L343-L347 PolarHBondContact O-N 3.41Å; L343-I358 HydrophobicContact CB-CG2 3.98Å; L343-I358 HydrophobicContact CD1-CG2 4.15Å; L343-L361 HydrophobicContact CD1-CB 4.18Å; L343-L361 HydrophobicContact CD1-CD2 4.33Å; L343-L361 HydrophobicContact CD1-CG 4.11Å; L343-L361 HydrophobicContact CD2-CD2 3.66Å; L343-L361 HydrophobicContact CD2-CG 4.1Å; L343-A362 HydrophobicContact CD1-CB 4.03Å; L343-I373 HydrophobicContact CD2-CG2 3.68Å; L343-I373 HydrophobicContact CG-CG2 3.99Å; L343-V377 HydrophobicContact CD2-CG2 4.45Å
344	N	95.5	Very high	94.1	Very high	56 Å²	56	60 Å²	60	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-43.8	174.8	-84.5	-62.9	0	0	0	112.4	I340 A341 L342 K348 I358	I340-N344 WeakPolarHBondContact CG2-ND2 3.47Å; I340-N344 WeakPolarHBondContact O-CB 3.49Å; I340-N344 PolarHBondContact O-N 2.99Å; I340-N344 PolarHBondContact O-ND2 3.48Å; A341-N344 PolarHBondContact O-N 3.38Å; L342-N344 VanDerWaalsContact C-N 3.35Å; L342-N344 PolarHBondContact O-N 2.89Å; N344-K348 WeakPolarHBondContact O-CB 3.45Å; N344-K348 WeakPolarHBondContact O-CG 3.42Å; N344-K348 PolarHBondContact O-N 3.4Å; N344-K348 VanDerWaalsContact O-N 3.08Å; N344-I358 WeakPolarHBondContact OD1-CD1 3.34Å
345	L	94	Very high	93.7	Very high	53 Å²	53	64.8 Å²	64.8	28%	0.277	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-48.2	179.3	177.9	66.7	0	0	0	111.9	Q169 A341 L342 L343	Q169-L345 HydrophobicContact CG-CD2 4.11Å; A341-L345 WeakPolarHBondContact O-CB 3.36Å; A341-L345 PolarHBondContact O-N 3.44Å; L342-L345 WeakPolarHBondContact O-CB 3.46Å; L342-L345 PolarHBondContact O-N 3.25Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 3.4Å
346	Y	95.4	Very high	93.7	Very high	33 Å²	33	62.5 Å²	62.5	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-78.6	-35	-177.2	-68.3	-62	0	0	0	112.8	L342 L343 K348 K349 I373 Q374	L342-Y346 HydrophobicContact CD2-CE2 4.07Å; L342-Y346 WeakPolarHBondContact O-CD2 3.41Å; L342-Y346 PolarHBondContact O-N 3.06Å; L343-Y346 PolarHBondContact O-N 3.3Å; Y346-K348 VanDerWaalsContact C-N 3.29Å; Y346-K348 PolarHBondContact O-N 3.18Å; Y346-K349 HydrophobicContact CD1-CD 4.36Å; Y346-K349 WeakPolarHBondContact O-CB 3.24Å; Y346-K349 PolarHBondContact O-N 3.17Å; Y346-K349 VanDerWaalsContact O-N 3.09Å; Y346-I373 HydrophobicContact CD2-CG2 4Å; Y346-Q374 HydrophobicContact CD1-CB 4.13Å; Y346-Q374 HydrophobicContact CD1-CG 3.85Å; Y346-Q374 HydrophobicContact CD2-CB 4.21Å; Y346-Q374 HydrophobicContact CE1-CB 3.74Å; Y346-Q374 HydrophobicContact CE1-CG 3.5Å; Y346-Q374 HydrophobicContact CE2-CB 3.81Å; Y346-Q374 HydrophobicContact CE2-CG 4.5Å; Y346-Q374 HydrophobicContact CG-CB 4.36Å
347	L	95.8	Very high	93.7	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-33	174.8	-73.1	171.4	0	0	0	111.9	L343 K349 V350 T352 I356 I358 V377 L397	L343-L347 HydrophobicContact CB-CD1 4.46Å; L343-L347 WeakPolarHBondContact O-CB 3.33Å; L343-L347 WeakPolarHBondContact O-CG 3.27Å; L343-L347 PolarHBondContact O-N 3.41Å; L347-K349 PolarHBondContact O-N 3.18Å; L347-V350 HydrophobicContact CD2-CG2 4.46Å; L347-V350 WeakPolarHBondContact O-CG2 3.42Å; L347-V350 PolarHBondContact O-N 3.13Å; L347-V350 VanDerWaalsContact O-N 3.17Å; L347-T352 HydrophobicContact CB-CG2 4.08Å; L347-T352 HydrophobicContact CD2-CG2 3.83Å; L347-I356 HydrophobicContact CD1-CG2 3.98Å; L347-I356 HydrophobicContact CD2-CD1 4.41Å; L347-I358 HydrophobicContact CD1-CD1 4.33Å; L347-I358 HydrophobicContact CD1-CG1 4.09Å; L347-V377 HydrophobicContact CD2-CG1 4.11Å; L347-V377 HydrophobicContact CD2-CG2 4.18Å; L347-V377 HydrophobicContact CG-CG2 4.31Å; L347-L397 HydrophobicContact CD2-CD1 4.2Å; L347-L397 HydrophobicContact CD2-CD2 4.22Å
348	K	94	Very high	93.8	Very high	174 Å²	174	58.2 Å²	58.2	76%	0.757	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.3	172.7	-78.6	172.6	-176.6	-178.6	0	113.9	N344 Y346 V350	N344-K348 WeakPolarHBondContact O-CB 3.45Å; N344-K348 WeakPolarHBondContact O-CG 3.42Å; N344-K348 PolarHBondContact O-N 3.4Å; N344-K348 VanDerWaalsContact O-N 3.08Å; Y346-K348 VanDerWaalsContact C-N 3.29Å; Y346-K348 PolarHBondContact O-N 3.18Å; K348-V350 VanDerWaalsContact C-N 3.31Å
349	K	94.2	Very high	93.8	Very high	146 Å²	146	64 Å²	64	64%	0.635	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.8	179	-62.4	-179.8	-179.8	179.9	0	113	Y346 L347	Y346-K349 HydrophobicContact CD1-CD 4.36Å; Y346-K349 WeakPolarHBondContact O-CB 3.24Å; Y346-K349 PolarHBondContact O-N 3.17Å; Y346-K349 VanDerWaalsContact O-N 3.09Å; L347-K349 PolarHBondContact O-N 3.18Å
350	V	95.1	Very high	93.7	Very high	40 Å²	40	67.4 Å²	67.4	24%	0.242	35%	0.349	C	S	.	.	S	Bend	trans	-125.8	157.8	-179	-62.2	0	0	0	0	110.6	L347 K348 T352 V377 A381 V392	L347-V350 HydrophobicContact CD2-CG2 4.46Å; L347-V350 WeakPolarHBondContact O-CG2 3.42Å; L347-V350 PolarHBondContact O-N 3.13Å; L347-V350 VanDerWaalsContact O-N 3.17Å; K348-V350 VanDerWaalsContact C-N 3.31Å; V350-T352 HydrophobicContact CG2-CG2 3.98Å; V350-T352 PolarHBondContact O-N 2.97Å; V350-V377 HydrophobicContact CG1-CG1 4.34Å; V350-V377 HydrophobicContact CG2-CG1 3.84Å; V350-A381 HydrophobicContact CG1-CB 3.98Å; V350-V392 HydrophobicContact CG2-CG2 4.4Å
351	K	94.4	Very high	93.6	Very high	159 Å²	159	65.6 Å²	65.6	69%	0.691	34%	0.339	S	S	*	.			trans	-76.2	111.6	175.2	-67.2	-176.8	-179.5	179.2	0	109.2	F391 V392	K351-F391 HydrophobicContact CB-CD1 4.06Å; K351-V392 PolarHBondContact O-N 3.16Å
352	T	94.5	Very high	93.5	Very high	58 Å²	58	64.2 Å²	64.2	36%	0.356	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-105.2	146.8	-177.5	47.9	0	0	0	0	112.1	L347 V350 I356	L347-T352 HydrophobicContact CB-CG2 4.08Å; L347-T352 HydrophobicContact CD2-CG2 3.83Å; V350-T352 HydrophobicContact CG2-CG2 3.98Å; V350-T352 PolarHBondContact O-N 2.97Å; T352-I356 HydrophobicContact CG2-CD1 3.62Å
353	G	90.2	Very high	93.4	Very high	18 Å²	18	65.3 Å²	65.3	19%	0.186	33%	0.333	C	S	.	.			trans	-82.4	168.3	170.3	0	0	0	0	0	111.9	N355 V392	G353-N355 PolarHBondContact O-N 2.95Å; G353-V392 PolarHBondContact N-O 3.29Å
354	S	86.9	Confident	93.2	Very high	136 Å²	136	65.5 Å²	65.5	95%	0.951	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.4	-179.8	55.1	0	0	0	0	114.5	I356	S354-I356 PolarHBondContact O-N 2.96Å
355	N	86	Confident	93.1	Very high	109 Å²	109	62.9 Å²	62.9	58%	0.583	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	25.7	-173.5	-167.4	18.5	0	0	0	113.7	G353 M394	G353-N355 PolarHBondContact O-N 2.95Å; N355-M394 WeakPolarHBondContact O-CB 3.36Å
356	I	92.7	Very high	93	Very high	31 Å²	31	63.8 Å²	63.8	16%	0.159	33%	0.328	C	S	.	.			trans	-96.5	113.4	-179.3	-68.6	165.1	0	0	0	110.1	L347 T352 S354 I358 V392 M394 L397	L347-I356 HydrophobicContact CD1-CG2 3.98Å; L347-I356 HydrophobicContact CD2-CD1 4.41Å; T352-I356 HydrophobicContact CG2-CD1 3.62Å; S354-I356 PolarHBondContact O-N 2.96Å; I356-I358 HydrophobicContact CG2-CG1 4.01Å; I356-V392 VanDerWaalsContact CD1-O 3.3Å; I356-V392 WeakPolarHBondContact CD1-O 2.98Å; I356-M394 HydrophobicContact CG2-SD 4.36Å; I356-L397 HydrophobicContact CD1-CD1 4.06Å; I356-L397 HydrophobicContact CG1-CD1 4Å; I356-L397 HydrophobicContact CG2-CD1 3.96Å
357	D	93.6	Very high	92.8	Very high	76 Å²	76	64.7 Å²	64.7	41%	0.406	35%	0.348	S	S	.	.			trans	-92	99.2	172	-175.8	-17.5	0	0	0	109.6	E359 K360 L361 M394	D357-E359 PolarHBondContact OD1-N 2.8Å; D357-K360 HydrophobicContact CB-CB 4.02Å; D357-K360 WeakPolarHBondContact OD1-CB 3.31Å; D357-K360 PolarHBondContact OD1-N 3.08Å; D357-K360 WeakPolarHBondContact OD2-CB 3.42Å; D357-L361 PolarHBondContact O-N 3.35Å; D357-M394 WeakPolarHBondContact O-CE 3.39Å
358	I	95.2	Very high	92.7	Very high	41 Å²	41	66 Å²	66	21%	0.21	35%	0.352	C	S	.	.	H	α-helix	trans	-70.2	-36.2	-176	-60.8	172.1	0	0	0	111.1	I340 L343 N344 L347 I356 L361 A362	I340-I358 HydrophobicContact CG1-CG2 4.43Å; I340-I358 HydrophobicContact CG2-CG2 4.19Å; L343-I358 HydrophobicContact CB-CG2 3.98Å; L343-I358 HydrophobicContact CD1-CG2 4.15Å; N344-I358 WeakPolarHBondContact OD1-CD1 3.34Å; L347-I358 HydrophobicContact CD1-CD1 4.33Å; L347-I358 HydrophobicContact CD1-CG1 4.09Å; I356-I358 HydrophobicContact CG2-CG1 4.01Å; I358-L361 PolarHBondContact O-N 3.02Å; I358-A362 WeakPolarHBondContact O-CB 3.47Å; I358-A362 PolarHBondContact O-N 3.36Å
359	E	93.4	Very high	92.8	Very high	123 Å²	123	58.3 Å²	58.3	58%	0.575	32%	0.32	S	S	*	.	H	α-helix	trans	-64.7	-48.3	-179.8	-65.2	-176.4	-177.8	0	0	110.1	Y336 D357 L361 A362 H363	Y336-E359 WeakPolarHBondContact OH-CB 3.47Å; D357-E359 PolarHBondContact OD1-N 2.8Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 3.46Å; E359-A362 WeakPolarHBondContact O-CB 3.1Å; E359-A362 PolarHBondContact O-N 3Å; E359-A362 VanDerWaalsContact O-N 3.11Å; E359-H363 PolarHBondContact O-CD2 3.48Å; E359-H363 PolarHBondContact O-N 3.26Å
360	K	92.4	Very high	92.8	Very high	75 Å²	75	51.9 Å²	51.9	33%	0.326	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-36.5	175.8	-164.2	179.4	-174.7	168	0	112.3	D357 G364 W398 L460	D357-K360 HydrophobicContact CB-CB 4.02Å; D357-K360 WeakPolarHBondContact OD1-CB 3.31Å; D357-K360 PolarHBondContact OD1-N 3.08Å; D357-K360 WeakPolarHBondContact OD2-CB 3.42Å; K360-G364 PolarHBondContact O-N 3.05Å; K360-W398 HydrophobicContact CD-CZ2 4.41Å; K360-W398 HydrophobicContact CG-CZ2 4.04Å; K360-L460 HydrophobicContact CG-CD2 3.69Å
361	L	94	Very high	92.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-71.1	-36.4	175.3	-168.8	57.4	0	0	0	112.6	L343 D357 I358 E359 H363 G364 T365 L376 M394 L397 W398	L343-L361 HydrophobicContact CD1-CB 4.18Å; L343-L361 HydrophobicContact CD1-CD2 4.33Å; L343-L361 HydrophobicContact CD1-CG 4.11Å; L343-L361 HydrophobicContact CD2-CD2 3.66Å; L343-L361 HydrophobicContact CD2-CG 4.1Å; D357-L361 PolarHBondContact O-N 3.35Å; I358-L361 PolarHBondContact O-N 3.02Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 3.46Å; L361-H363 VanDerWaalsContact C-N 3.33Å; L361-H363 PolarHBondContact O-N 3.47Å; L361-G364 WeakPolarHBondContact O-CA 3.3Å; L361-G364 PolarHBondContact O-N 3.46Å; L361-T365 HydrophobicContact CD1-CG2 4.45Å; L361-T365 WeakPolarHBondContact O-CG2 3.38Å; L361-T365 PolarHBondContact O-N 3.3Å; L361-T365 PolarHBondContact O-OG1 2.91Å; L361-L376 HydrophobicContact CD1-CD2 4.29Å; L361-M394 HydrophobicContact CB-CE 3.92Å; L361-M394 HydrophobicContact CD1-CE 4.35Å; L361-L397 HydrophobicContact CD1-CB 4.39Å; L361-L397 HydrophobicContact CD2-CB 4.14Å; L361-L397 HydrophobicContact CD2-CD1 3.88Å; L361-L397 HydrophobicContact CD2-CD2 4.15Å; L361-L397 HydrophobicContact CD2-CG 4.27Å; L361-W398 HydrophobicContact CD1-CE3 4.48Å; L361-W398 HydrophobicContact CD1-CH2 4.22Å; L361-W398 HydrophobicContact CD1-CZ3 4.21Å
362	A	94.8	Very high	92.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-37.1	176.1	0	0	0	0	0	111.8	Y336 R339 I340 L343 I358 E359 G364 T365	Y336-A362 HydrophobicContact CD2-CB 4Å; Y336-A362 HydrophobicContact CE2-CB 3.7Å; R339-A362 HydrophobicContact CB-CB 4.39Å; R339-A362 PolarHBondContact NE-O 3.33Å; R339-A362 PolarHBondContact NH2-O 3.02Å; I340-A362 HydrophobicContact CG1-CB 3.71Å; L343-A362 HydrophobicContact CD1-CB 4.03Å; I358-A362 WeakPolarHBondContact O-CB 3.47Å; I358-A362 PolarHBondContact O-N 3.36Å; E359-A362 WeakPolarHBondContact O-CB 3.1Å; E359-A362 PolarHBondContact O-N 3Å; E359-A362 VanDerWaalsContact O-N 3.11Å; A362-G364 VanDerWaalsContact C-N 3.28Å; A362-G364 PolarHBondContact O-N 3.3Å; A362-T365 WeakPolarHBondContact CA-OG1 3.39Å; A362-T365 PolarHBondContact O-N 3.37Å; A362-T365 PolarHBondContact O-OG1 2.65Å
363	H	92.8	Very high	93	Very high	35 Å²	35	44.7 Å²	44.7	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-30.3	168.7	-69.6	-56.8	0	0	0	112.7	Y336 E359 L361 T365 V366 L460 Q461 E462	Y336-H363 AromaticContact CD2-CE1 3.92Å; Y336-H363 AromaticContact CE2-CE1 3.35Å; Y336-H363 WeakPolarHBondContact CE2-CE1 3.46Å; Y336-H363 AromaticContact CE2-ND1 3.74Å; Y336-H363 AromaticContact CE2-NE2 3.53Å; Y336-H363 AromaticContact CZ-CE1 3.88Å; Y336-H363 AromaticContact CZ-NE2 3.81Å; E359-H363 PolarHBondContact O-CD2 3.48Å; E359-H363 PolarHBondContact O-N 3.26Å; L361-H363 VanDerWaalsContact C-N 3.33Å; L361-H363 PolarHBondContact O-N 3.47Å; H363-T365 VanDerWaalsContact C-N 3.28Å; H363-T365 PolarHBondContact O-N 2.82Å; H363-V366 WeakPolarHBondContact O-CG2 3.39Å; H363-L460 HydrophobicContact CB-CD1 3.56Å; H363-L460 HydrophobicContact CB-CD2 4.44Å; H363-L460 HydrophobicContact CB-CG 4.02Å; H363-L460 VanDerWaalsContact O-CD1 3.32Å; H363-L460 WeakPolarHBondContact O-CD1 3.48Å; H363-Q461 WeakPolarHBondContact CB-O 3.18Å; H363-Q461 PolarHBondContact ND1-O 2.99Å; H363-E462 VanDerWaalsContact CE1-C 3.46Å; H363-E462 PolarHBondContact CE1-O 3.09Å; H363-E462 PolarHBondContact NE2-O 3.3Å
364	G	92.3	Very high	93.3	Very high	4 Å²	4	48.5 Å²	48.5	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-78.1	-12.5	-179.2	0	0	0	0	0	114.3	K360 L361 A362 R401	K360-G364 PolarHBondContact O-N 3.05Å; L361-G364 WeakPolarHBondContact O-CA 3.3Å; L361-G364 PolarHBondContact O-N 3.46Å; A362-G364 VanDerWaalsContact C-N 3.28Å; A362-G364 PolarHBondContact O-N 3.3Å; G364-R401 VanDerWaalsContact O-CZ 3.25Å; G364-R401 PolarHBondContact O-NE 3.5Å; G364-R401 PolarHBondContact O-NH2 2.83Å
365	T	93.5	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	25.8	-170.5	48.7	0	0	0	0	112.3	R339 L361 A362 H363 G367 Y368 L376	R339-T365 WeakPolarHBondContact CD-O 3.14Å; L361-T365 HydrophobicContact CD1-CG2 4.45Å; L361-T365 WeakPolarHBondContact O-CG2 3.38Å; L361-T365 PolarHBondContact O-N 3.3Å; L361-T365 PolarHBondContact O-OG1 2.91Å; A362-T365 WeakPolarHBondContact CA-OG1 3.39Å; A362-T365 PolarHBondContact O-N 3.37Å; A362-T365 PolarHBondContact O-OG1 2.65Å; H363-T365 VanDerWaalsContact C-N 3.28Å; H363-T365 PolarHBondContact O-N 2.82Å; T365-G367 PolarHBondContact O-N 2.85Å; T365-Y368 HydrophobicContact CG2-CD1 3.97Å; T365-Y368 HydrophobicContact CG2-CE1 4.15Å; T365-Y368 HydrophobicContact CG2-CG 4.21Å; T365-Y368 WeakPolarHBondContact O-CB 3.44Å; T365-Y368 WeakPolarHBondContact O-CD2 3.29Å; T365-Y368 PolarHBondContact O-N 3.33Å; T365-L376 HydrophobicContact CG2-CD2 3.66Å
366	V	91.9	Very high	94.3	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.436	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	131.4	173.6	-180	0	0	0	0	110.1	H363 Y368 D464	H363-V366 WeakPolarHBondContact O-CG2 3.39Å; V366-Y368 VanDerWaalsContact C-N 3.28Å; V366-Y368 PolarHBondContact O-N 3.33Å; V366-D464 WeakPolarHBondContact CG2-OD1 3.43Å
367	G	90.8	Very high	94.6	Very high	52 Å²	52	38.5 Å²	38.5	54%	0.536	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.5	-178	0	0	0	0	0	115.3	T365	T365-G367 PolarHBondContact O-N 2.85Å
368	Y	94.9	Very high	94.8	Very high	37 Å²	37	38.8 Å²	38.8	15%	0.145	22%	0.217	C	C	.	.			trans	-71.1	139.9	177.7	-79.4	-134.5	0	0	0	110.5	P334 T365 V366 D372 L404	P334-Y368 VanDerWaalsContact CD-O 3.25Å; P334-Y368 WeakPolarHBondContact CD-O 3.42Å; P334-Y368 VanDerWaalsContact CG-O 3.32Å; P334-Y368 WeakPolarHBondContact CG-O 3.16Å; T365-Y368 HydrophobicContact CG2-CD1 3.97Å; T365-Y368 HydrophobicContact CG2-CE1 4.15Å; T365-Y368 HydrophobicContact CG2-CG 4.21Å; T365-Y368 WeakPolarHBondContact O-CB 3.44Å; T365-Y368 WeakPolarHBondContact O-CD2 3.29Å; T365-Y368 PolarHBondContact O-N 3.33Å; V366-Y368 VanDerWaalsContact C-N 3.28Å; V366-Y368 PolarHBondContact O-N 3.33Å; Y368-D372 HydrophobicContact CD1-CB 3.62Å; Y368-D372 HydrophobicContact CE1-CB 4.38Å; Y368-D372 HydrophobicContact CG-CB 4.03Å; Y368-L404 HydrophobicContact CE1-CD1 4.31Å
369	T	95.4	Very high	94.8	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	22%	0.215	C	C	.	.			trans	-84.7	169.9	172.7	70.6	0	0	0	0	111.4	P208 V210 A371 D372 I373	P208-T369 WeakPolarHBondContact O-CG2 3.16Å; V210-T369 HydrophobicContact CG1-CG2 3.95Å; T369-A371 PolarHBondContact O-N 2.74Å; T369-D372 WeakPolarHBondContact CB-OD2 3.23Å; T369-D372 WeakPolarHBondContact CG2-OD2 3.28Å; T369-D372 PolarHBondContact N-OD2 3.29Å; T369-D372 PolarHBondContact O-N 3.21Å; T369-D372 VanDerWaalsContact O-N 3.09Å; T369-D372 PolarHBondContact OG1-N 2.88Å; T369-D372 PolarHBondContact OG1-OD2 2.86Å; T369-I373 WeakPolarHBondContact O-CG1 3.3Å; T369-I373 PolarHBondContact O-N 2.88Å
370	G	94.4	Very high	95	Very high	11 Å²	11	32.7 Å²	32.7	11%	0.113	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-36	175.8	0	0	0	0	0	112.8	G209 Q374	G209-G370 PolarHBondContact O-N 3.24Å; G370-Q374 WeakPolarHBondContact O-CB 3.46Å; G370-Q374 PolarHBondContact O-N 2.93Å
371	A	95.2	Very high	95.2	Very high	41 Å²	41	30.2 Å²	30.2	34%	0.339	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-39.8	173.7	0	0	0	0	0	112.5	G209 T369 Q374 N375	G209-A371 PolarHBondContact O-N 3.02Å; T369-A371 PolarHBondContact O-N 2.74Å; A371-Q374 PolarHBondContact O-N 3.49Å; A371-N375 WeakPolarHBondContact O-CB 3.27Å; A371-N375 PolarHBondContact O-N 3.44Å
372	D	96.1	Very high	95.3	Very high	66 Å²	66	33.3 Å²	33.3	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-65.9	-41.8	177.7	-59.2	-46.6	0	0	0	111.5	Y368 T369 N375 L376	Y368-D372 HydrophobicContact CD1-CB 3.62Å; Y368-D372 HydrophobicContact CE1-CB 4.38Å; Y368-D372 HydrophobicContact CG-CB 4.03Å; T369-D372 WeakPolarHBondContact CB-OD2 3.23Å; T369-D372 WeakPolarHBondContact CG2-OD2 3.28Å; T369-D372 PolarHBondContact N-OD2 3.29Å; T369-D372 PolarHBondContact O-N 3.21Å; T369-D372 VanDerWaalsContact O-N 3.09Å; T369-D372 PolarHBondContact OG1-N 2.88Å; T369-D372 PolarHBondContact OG1-OD2 2.86Å; D372-N375 PolarHBondContact O-N 3.24Å; D372-L376 WeakPolarHBondContact O-CB 3.42Å; D372-L376 PolarHBondContact O-N 3.3Å
373	I	97	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-42.6	176.1	-65.3	174.1	0	0	0	110.7	P334 R339 L342 L343 Y346 T369 N375 L376 V377	P334-I373 HydrophobicContact CG-CD1 4.43Å; R339-I373 HydrophobicContact CB-CD1 4.15Å; R339-I373 HydrophobicContact CG-CD1 3.94Å; L342-I373 HydrophobicContact CB-CD1 4.03Å; L342-I373 HydrophobicContact CB-CG2 4.27Å; L342-I373 HydrophobicContact CD1-CD1 4.07Å; L343-I373 HydrophobicContact CD2-CG2 3.68Å; L343-I373 HydrophobicContact CG-CG2 3.99Å; Y346-I373 HydrophobicContact CD2-CG2 4Å; T369-I373 WeakPolarHBondContact O-CG1 3.3Å; T369-I373 PolarHBondContact O-N 2.88Å; I373-N375 VanDerWaalsContact C-N 3.32Å; I373-N375 PolarHBondContact O-N 3.04Å; I373-L376 WeakPolarHBondContact O-CB 3.39Å; I373-L376 PolarHBondContact O-N 3.43Å; I373-V377 WeakPolarHBondContact O-CG2 3.25Å; I373-V377 PolarHBondContact O-N 2.81Å; I373-V377 VanDerWaalsContact O-N 3.08Å
374	Q	96.5	Very high	95.4	Very high	98 Å²	98	32.4 Å²	32.4	46%	0.458	20%	0.196	S	C	.	.	H	α-helix	trans	-58.4	-46.8	174.3	-175.5	177.1	12.5	0	0	111.2	Y346 G370 A371 V377 N378	Y346-Q374 HydrophobicContact CD1-CB 4.13Å; Y346-Q374 HydrophobicContact CD1-CG 3.85Å; Y346-Q374 HydrophobicContact CD2-CB 4.21Å; Y346-Q374 HydrophobicContact CE1-CB 3.74Å; Y346-Q374 HydrophobicContact CE1-CG 3.5Å; Y346-Q374 HydrophobicContact CE2-CB 3.81Å; Y346-Q374 HydrophobicContact CE2-CG 4.5Å; Y346-Q374 HydrophobicContact CG-CB 4.36Å; G370-Q374 WeakPolarHBondContact O-CB 3.46Å; G370-Q374 PolarHBondContact O-N 2.93Å; A371-Q374 PolarHBondContact O-N 3.49Å; Q374-V377 PolarHBondContact O-N 3.37Å; Q374-N378 WeakPolarHBondContact O-CB 3.32Å; Q374-N378 PolarHBondContact O-N 2.93Å
375	N	96.8	Very high	95.5	Very high	61 Å²	61	35.4 Å²	35.4	33%	0.326	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-41	179.5	-169.1	25.1	0	0	0	111.3	A371 D372 I373 V377 N378 Q379 L404	A371-N375 WeakPolarHBondContact O-CB 3.27Å; A371-N375 PolarHBondContact O-N 3.44Å; D372-N375 PolarHBondContact O-N 3.24Å; I373-N375 VanDerWaalsContact C-N 3.32Å; I373-N375 PolarHBondContact O-N 3.04Å; N375-V377 PolarHBondContact O-N 3.48Å; N375-N378 PolarHBondContact O-N 3.34Å; N375-Q379 WeakPolarHBondContact O-CB 3.48Å; N375-Q379 VanDerWaalsContact O-CG 3.27Å; N375-Q379 WeakPolarHBondContact O-CG 3.31Å; N375-Q379 PolarHBondContact O-N 3.21Å; N375-Q379 PolarHBondContact OD1-NE2 3.03Å; N375-L404 WeakPolarHBondContact ND2-CD2 3.3Å
376	L	97.6	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.9	-52.6	175.1	175.3	71	0	0	0	111.9	L361 T365 D372 I373 N378 Q379 A380 A400 R401 L404	L361-L376 HydrophobicContact CD1-CD2 4.29Å; T365-L376 HydrophobicContact CG2-CD2 3.66Å; D372-L376 WeakPolarHBondContact O-CB 3.42Å; D372-L376 PolarHBondContact O-N 3.3Å; I373-L376 WeakPolarHBondContact O-CB 3.39Å; I373-L376 PolarHBondContact O-N 3.43Å; L376-N378 VanDerWaalsContact C-N 3.32Å; L376-N378 PolarHBondContact O-N 3.28Å; L376-Q379 PolarHBondContact O-N 2.82Å; L376-A380 PolarHBondContact O-N 3.46Å; L376-A400 HydrophobicContact CD1-CB 3.91Å; L376-R401 VanDerWaalsContact CD1-CA 3.5Å; L376-R401 HydrophobicContact CD1-CB 3.72Å; L376-R401 VanDerWaalsContact CD1-N 3.29Å; L376-L404 HydrophobicContact CB-CD1 3.77Å; L376-L404 HydrophobicContact CD1-CD1 3.82Å; L376-L404 HydrophobicContact CG-CD1 4.43Å
377	V	97.8	Very high	95.6	Very high	4 Å²	4	44 Å²	44	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-40.7	179.7	175.1	0	0	0	0	110.8	L343 L347 V350 I373 Q374 N375 A380 A381 L397	L343-V377 HydrophobicContact CD2-CG2 4.45Å; L347-V377 HydrophobicContact CD2-CG1 4.11Å; L347-V377 HydrophobicContact CD2-CG2 4.18Å; L347-V377 HydrophobicContact CG-CG2 4.31Å; V350-V377 HydrophobicContact CG1-CG1 4.34Å; V350-V377 HydrophobicContact CG2-CG1 3.84Å; I373-V377 WeakPolarHBondContact O-CG2 3.25Å; I373-V377 PolarHBondContact O-N 2.81Å; I373-V377 VanDerWaalsContact O-N 3.08Å; Q374-V377 PolarHBondContact O-N 3.37Å; N375-V377 PolarHBondContact O-N 3.48Å; V377-A380 PolarHBondContact O-N 3.09Å; V377-A381 PolarHBondContact O-N 3.38Å; V377-L397 HydrophobicContact CG2-CD2 4.43Å
378	N	97.2	Very high	95.8	Very high	83 Å²	83	48.6 Å²	48.6	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-44.2	176.9	-174.7	53.2	0	0	0	112.4	Q374 N375 L376 A380 A381 I382	Q374-N378 WeakPolarHBondContact O-CB 3.32Å; Q374-N378 PolarHBondContact O-N 2.93Å; N375-N378 PolarHBondContact O-N 3.34Å; L376-N378 VanDerWaalsContact C-N 3.32Å; L376-N378 PolarHBondContact O-N 3.28Å; N378-A380 VanDerWaalsContact C-N 3.31Å; N378-A380 PolarHBondContact O-N 2.96Å; N378-A381 PolarHBondContact O-N 3.45Å; N378-I382 VanDerWaalsContact O-CG1 3.31Å; N378-I382 WeakPolarHBondContact O-CG1 3.35Å; N378-I382 PolarHBondContact O-N 2.91Å
379	Q	96.3	Very high	95.8	Very high	36 Å²	36	49.8 Å²	49.8	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-37.8	176.6	-70.1	-58.2	-38.1	0	0	111.8	N375 L376 I382 A383 A400	N375-Q379 WeakPolarHBondContact O-CB 3.48Å; N375-Q379 VanDerWaalsContact O-CG 3.27Å; N375-Q379 WeakPolarHBondContact O-CG 3.31Å; N375-Q379 PolarHBondContact O-N 3.21Å; N375-Q379 PolarHBondContact OD1-NE2 3.03Å; L376-Q379 PolarHBondContact O-N 2.82Å; Q379-I382 PolarHBondContact O-N 3.37Å; Q379-A383 WeakPolarHBondContact O-CB 3.39Å; Q379-A383 PolarHBondContact O-N 2.99Å; Q379-A400 HydrophobicContact CB-CB 3.84Å
380	A	97	Very high	95.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-41.3	174.9	0	0	0	0	0	111.8	L376 V377 N378 A383 A384 V392 H396 L397 A400	L376-A380 PolarHBondContact O-N 3.46Å; V377-A380 PolarHBondContact O-N 3.09Å; N378-A380 VanDerWaalsContact C-N 3.31Å; N378-A380 PolarHBondContact O-N 2.96Å; A380-A383 PolarHBondContact O-N 3.17Å; A380-A384 PolarHBondContact O-N 3.49Å; A380-V392 HydrophobicContact CB-CG1 3.92Å; A380-H396 HydrophobicContact CB-CB 4.18Å; A380-L397 HydrophobicContact CB-CD2 3.59Å; A380-L397 HydrophobicContact CB-CG 4.04Å; A380-A400 HydrophobicContact CB-CB 3.86Å
381	A	96.9	Very high	95.8	Very high	22 Å²	22	58.2 Å²	58.2	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-42.5	175.4	0	0	0	0	0	112.5	V350 V377 N378 A383 A384 A385 V392	V350-A381 HydrophobicContact CG1-CB 3.98Å; V377-A381 PolarHBondContact O-N 3.38Å; N378-A381 PolarHBondContact O-N 3.45Å; A381-A383 VanDerWaalsContact C-N 3.34Å; A381-A384 PolarHBondContact O-N 3.48Å; A381-A385 WeakPolarHBondContact O-CB 3.35Å; A381-A385 PolarHBondContact O-N 2.8Å; A381-V392 HydrophobicContact CB-CG2 4.02Å
382	I	95.9	Very high	95.9	Very high	66 Å²	66	56.5 Å²	56.5	34%	0.338	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-43.1	174.1	-67.5	165.6	0	0	0	110.5	N378 Q379 A385 L386	N378-I382 VanDerWaalsContact O-CG1 3.31Å; N378-I382 WeakPolarHBondContact O-CG1 3.35Å; N378-I382 PolarHBondContact O-N 2.91Å; Q379-I382 PolarHBondContact O-N 3.37Å; I382-A385 PolarHBondContact O-N 2.68Å; I382-L386 HydrophobicContact CG2-CD1 3.84Å; I382-L386 HydrophobicContact CG2-CG 4.27Å; I382-L386 WeakPolarHBondContact O-CB 3.41Å; I382-L386 VanDerWaalsContact O-CG 3.26Å; I382-L386 WeakPolarHBondContact O-CG 3.22Å; I382-L386 PolarHBondContact O-N 2.96Å
383	A	93.6	Very high	95.8	Very high	13 Å²	13	56.9 Å²	56.9	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-45	179	0	0	0	0	0	112.3	Q379 A380 A381 L386 R387	Q379-A383 WeakPolarHBondContact O-CB 3.39Å; Q379-A383 PolarHBondContact O-N 2.99Å; A380-A383 PolarHBondContact O-N 3.17Å; A381-A383 VanDerWaalsContact C-N 3.34Å; A383-L386 PolarHBondContact O-N 3.35Å; A383-R387 WeakPolarHBondContact O-CG 3.43Å; A383-R387 PolarHBondContact O-N 3.33Å; A383-R387 VanDerWaalsContact O-N 3.16Å
384	A	95.8	Very high	95.7	Very high	3 Å²	3	57.7 Å²	57.7	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-45.8	175.5	0	0	0	0	0	111.4	A380 A381 L386 R387 N388 D389 V392	A380-A384 PolarHBondContact O-N 3.49Å; A381-A384 PolarHBondContact O-N 3.48Å; A384-L386 PolarHBondContact O-N 2.94Å; A384-R387 PolarHBondContact O-N 3.4Å; A384-R387 VanDerWaalsContact O-N 3.13Å; A384-N388 PolarHBondContact O-N 3.43Å; A384-D389 HydrophobicContact CB-CB 4.3Å; A384-D389 PolarHBondContact O-N 3.03Å; A384-V392 HydrophobicContact CB-CG2 4.15Å
385	A	95.8	Very high	95.5	Very high	66 Å²	66	57.1 Å²	57.1	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-40.7	177.5	0	0	0	0	0	112.6	A381 I382 R387 N388	A381-A385 WeakPolarHBondContact O-CB 3.35Å; A381-A385 PolarHBondContact O-N 2.8Å; I382-A385 PolarHBondContact O-N 2.68Å; A385-R387 VanDerWaalsContact C-N 3.26Å; A385-R387 PolarHBondContact O-N 2.94Å; A385-N388 PolarHBondContact O-N 3.5Å; A385-N388 VanDerWaalsContact O-N 3.12Å
386	L	94.2	Very high	95.5	Very high	135 Å²	135	54.2 Å²	54.2	71%	0.707	29%	0.288	S	S	*	.	H	α-helix	trans	-66.7	-25.8	176.7	-73.7	172.5	0	0	0	113.3	I382 A383 A384 N388	I382-L386 HydrophobicContact CG2-CD1 3.84Å; I382-L386 HydrophobicContact CG2-CG 4.27Å; I382-L386 WeakPolarHBondContact O-CB 3.41Å; I382-L386 VanDerWaalsContact O-CG 3.26Å; I382-L386 WeakPolarHBondContact O-CG 3.22Å; I382-L386 PolarHBondContact O-N 2.96Å; A383-L386 PolarHBondContact O-N 3.35Å; A384-L386 PolarHBondContact O-N 2.94Å; L386-N388 VanDerWaalsContact C-N 3.33Å
387	R	93.4	Very high	95.4	Very high	119 Å²	119	54.2 Å²	54.2	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-87.1	-3.5	174.5	-70.1	178.2	-177	155.9	8.2	113.3	A383 A384 A385 D389 H396 D399	A383-R387 WeakPolarHBondContact O-CG 3.43Å; A383-R387 PolarHBondContact O-N 3.33Å; A383-R387 VanDerWaalsContact O-N 3.16Å; A384-R387 PolarHBondContact O-N 3.4Å; A384-R387 VanDerWaalsContact O-N 3.13Å; A385-R387 VanDerWaalsContact C-N 3.26Å; A385-R387 PolarHBondContact O-N 2.94Å; R387-D389 VanDerWaalsContact CB-OD2 3.31Å; R387-D389 WeakPolarHBondContact CB-OD2 3.45Å; R387-D389 PolarHBondContact O-N 2.98Å; R387-H396 PolarHBondContact NH1-CD2 2.92Å; R387-H396 PolarHBondContact NH1-NE2 2.71Å; R387-D399 IonicContact CZ-OD2 3.89Å; R387-D399 IonicContact NH1-OD2 3.54Å; R387-D399 IonicContact NH2-OD2 2.93Å; R387-D399 PolarHBondContact NH2-OD2 3.39Å
388	N	94.6	Very high	95.2	Very high	147 Å²	147	55.2 Å²	55.2	79%	0.786	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	27.5	-169.4	-53.7	-66.1	0	0	0	113.4	A384 A385 L386	A384-N388 PolarHBondContact O-N 3.43Å; A385-N388 PolarHBondContact O-N 3.5Å; A385-N388 VanDerWaalsContact O-N 3.12Å; L386-N388 VanDerWaalsContact C-N 3.33Å
389	D	94.7	Very high	94.9	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.332	28%	0.278	S	S	.	.			trans	-77.1	134.5	174.8	-67.1	-37.6	0	0	0	109.9	A384 R387 F391 H396	A384-D389 HydrophobicContact CB-CB 4.3Å; A384-D389 PolarHBondContact O-N 3.03Å; R387-D389 VanDerWaalsContact CB-OD2 3.31Å; R387-D389 WeakPolarHBondContact CB-OD2 3.45Å; R387-D389 PolarHBondContact O-N 2.98Å; D389-F391 VanDerWaalsContact C-N 3.26Å; D389-F391 PolarHBondContact O-N 3.4Å; D389-H396 IonicContact OD2-CE1 3.05Å; D389-H396 PolarHBondContact OD2-CE1 3.43Å; D389-H396 IonicContact OD2-NE2 3.8Å; D389-H396 PolarHBondContact OD2-NE2 3.45Å
390	P	93.8	Very high	94.8	Very high	96 Å²	96	51.2 Å²	51.2	62%	0.623	27%	0.271	S	S	*	.	S	Bend	trans	-71.7	-20.5	-175.3	26.1	-33	0	0	0	113.5
391	F	96.2	Very high	94.7	Very high	104 Å²	104	52.3 Å²	52.3	46%	0.456	28%	0.276	S	S	.	.	S	Bend	trans	-138.6	148.8	-176	-55.9	-77.4	0	0	0	111.1	K351 D389	K351-F391 HydrophobicContact CB-CD1 4.06Å; D389-F391 VanDerWaalsContact C-N 3.26Å; D389-F391 PolarHBondContact O-N 3.4Å
392	V	96.4	Very high	94.4	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.036	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-74.4	128.2	166.9	-175.8	0	0	0	0	108.6	V350 K351 G353 I356 A380 A381 A384 H396 L397	V350-V392 HydrophobicContact CG2-CG2 4.4Å; K351-V392 PolarHBondContact O-N 3.16Å; G353-V392 PolarHBondContact N-O 3.29Å; I356-V392 VanDerWaalsContact CD1-O 3.3Å; I356-V392 WeakPolarHBondContact CD1-O 2.98Å; A380-V392 HydrophobicContact CB-CG1 3.92Å; A381-V392 HydrophobicContact CB-CG2 4.02Å; A384-V392 HydrophobicContact CB-CG2 4.15Å; V392-H396 HydrophobicContact CG1-CB 4.11Å; V392-L397 HydrophobicContact CG1-CD2 4.44Å; V392-L397 HydrophobicContact CG1-CG 4.22Å
393	E	95.2	Very high	94.1	Very high	74 Å²	74	53.1 Å²	53.1	35%	0.346	27%	0.27	S	S	.	.			trans	-119.4	170.2	-179.6	-65.1	-162.6	147.6	0	0	111	H395 H396 L397	E393-H395 VanDerWaalsContact C-N 3.27Å; E393-H395 PolarHBondContact O-N 3.28Å; E393-H395 IonicContact OE2-CE1 3.5Å; E393-H395 PolarHBondContact OE2-CE1 2.92Å; E393-H395 IonicContact OE2-ND1 2.79Å; E393-H395 PolarHBondContact OE2-ND1 3.09Å; E393-H395 VanDerWaalsContact OE2-ND1 3.09Å; E393-H396 PolarHBondContact N-ND1 3.07Å; E393-H396 VanDerWaalsContact O-CB 3.29Å; E393-H396 WeakPolarHBondContact O-CB 3.38Å; E393-H396 PolarHBondContact O-N 2.92Å; E393-L397 PolarHBondContact O-N 3.34Å
394	M	94.4	Very high	93.9	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-37.5	-177.3	-162.6	64.9	-173.1	0	0	113.6	N355 I356 D357 L361 H396 L397 W398	N355-M394 WeakPolarHBondContact O-CB 3.36Å; I356-M394 HydrophobicContact CG2-SD 4.36Å; D357-M394 WeakPolarHBondContact O-CE 3.39Å; L361-M394 HydrophobicContact CB-CE 3.92Å; L361-M394 HydrophobicContact CD1-CE 4.35Å; M394-H396 VanDerWaalsContact C-N 3.26Å; M394-H396 PolarHBondContact O-N 2.88Å; M394-L397 PolarHBondContact O-N 3.09Å; M394-L397 HydrophobicContact SD-CD1 4.32Å; M394-W398 HydrophobicContact CE-CD2 4.4Å; M394-W398 HydrophobicContact CE-CH2 4.44Å; M394-W398 HydrophobicContact CE-CZ2 3.38Å; M394-W398 VanDerWaalsContact O-CD1 3.23Å; M394-W398 PolarHBondContact O-N 3.04Å
395	H	92.3	Very high	93.5	Very high	85 Å²	85	59.9 Å²	59.9	39%	0.394	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-31.2	179.2	73.3	-95.4	0	0	0	112	E393 D399	E393-H395 VanDerWaalsContact C-N 3.27Å; E393-H395 PolarHBondContact O-N 3.28Å; E393-H395 IonicContact OE2-CE1 3.5Å; E393-H395 PolarHBondContact OE2-CE1 2.92Å; E393-H395 IonicContact OE2-ND1 2.79Å; E393-H395 PolarHBondContact OE2-ND1 3.09Å; E393-H395 VanDerWaalsContact OE2-ND1 3.09Å; H395-D399 VanDerWaalsContact O-CB 3.3Å; H395-D399 WeakPolarHBondContact O-CB 3.4Å; H395-D399 PolarHBondContact O-N 3.39Å
396	H	95.2	Very high	93	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-40.9	172.1	-65.7	115.7	0	0	0	112.2	A380 R387 D389 V392 E393 M394 D399 A400	A380-H396 HydrophobicContact CB-CB 4.18Å; R387-H396 PolarHBondContact NH1-CD2 2.92Å; R387-H396 PolarHBondContact NH1-NE2 2.71Å; D389-H396 IonicContact OD2-CE1 3.05Å; D389-H396 PolarHBondContact OD2-CE1 3.43Å; D389-H396 IonicContact OD2-NE2 3.8Å; D389-H396 PolarHBondContact OD2-NE2 3.45Å; V392-H396 HydrophobicContact CG1-CB 4.11Å; E393-H396 PolarHBondContact N-ND1 3.07Å; E393-H396 VanDerWaalsContact O-CB 3.29Å; E393-H396 WeakPolarHBondContact O-CB 3.38Å; E393-H396 PolarHBondContact O-N 2.92Å; M394-H396 VanDerWaalsContact C-N 3.26Å; M394-H396 PolarHBondContact O-N 2.88Å; H396-D399 PolarHBondContact O-N 3.15Å; H396-A400 VanDerWaalsContact O-CB 3.27Å; H396-A400 WeakPolarHBondContact O-CB 3.45Å; H396-A400 PolarHBondContact O-N 3Å
397	L	96.3	Very high	92.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-42.2	178.3	-68	160.6	0	0	0	111.3	L347 I356 L361 V377 A380 V392 E393 M394 A400 R401	L347-L397 HydrophobicContact CD2-CD1 4.2Å; L347-L397 HydrophobicContact CD2-CD2 4.22Å; I356-L397 HydrophobicContact CD1-CD1 4.06Å; I356-L397 HydrophobicContact CG1-CD1 4Å; I356-L397 HydrophobicContact CG2-CD1 3.96Å; L361-L397 HydrophobicContact CD1-CB 4.39Å; L361-L397 HydrophobicContact CD2-CB 4.14Å; L361-L397 HydrophobicContact CD2-CD1 3.88Å; L361-L397 HydrophobicContact CD2-CD2 4.15Å; L361-L397 HydrophobicContact CD2-CG 4.27Å; V377-L397 HydrophobicContact CG2-CD2 4.43Å; A380-L397 HydrophobicContact CB-CD2 3.59Å; A380-L397 HydrophobicContact CB-CG 4.04Å; V392-L397 HydrophobicContact CG1-CD2 4.44Å; V392-L397 HydrophobicContact CG1-CG 4.22Å; E393-L397 PolarHBondContact O-N 3.34Å; M394-L397 PolarHBondContact O-N 3.09Å; M394-L397 HydrophobicContact SD-CD1 4.32Å; L397-A400 PolarHBondContact O-N 3.03Å; L397-R401 PolarHBondContact O-N 3.37Å
398	W	93.6	Very high	92.4	Very high	25 Å²	25	51.5 Å²	51.5	10%	0.095	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-40.2	175	-72.2	125.5	0	0	0	113.1	K360 L361 M394 A400 R401 D402 H443	K360-W398 HydrophobicContact CD-CZ2 4.41Å; K360-W398 HydrophobicContact CG-CZ2 4.04Å; L361-W398 HydrophobicContact CD1-CE3 4.48Å; L361-W398 HydrophobicContact CD1-CH2 4.22Å; L361-W398 HydrophobicContact CD1-CZ3 4.21Å; M394-W398 HydrophobicContact CE-CD2 4.4Å; M394-W398 HydrophobicContact CE-CH2 4.44Å; M394-W398 HydrophobicContact CE-CZ2 3.38Å; M394-W398 VanDerWaalsContact O-CD1 3.23Å; M394-W398 PolarHBondContact O-N 3.04Å; W398-A400 VanDerWaalsContact C-N 3.35Å; W398-R401 PolarHBondContact O-N 3.33Å; W398-D402 VanDerWaalsContact O-CG 3.26Å; W398-D402 PolarHBondContact O-N 3.22Å; W398-H443 AromaticContact CD2-NE2 3.5Å; W398-H443 AromaticContact CE2-CE1 3.56Å; W398-H443 AromaticContact CE2-NE2 3.48Å; W398-H443 AromaticContact CE3-NE2 3.54Å; W398-H443 AromaticContact CH2-CE1 3.66Å; W398-H443 AromaticContact CH2-NE2 3.64Å; W398-H443 AromaticContact CZ2-CE1 3.37Å; W398-H443 WeakPolarHBondContact CZ2-CE1 3.3Å; W398-H443 AromaticContact CZ2-NE2 3.59Å; W398-H443 AromaticContact CZ3-NE2 3.6Å
399	D	91.6	Very high	91.9	Very high	32 Å²	32	46.7 Å²	46.7	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-40.1	175.3	-173.4	21.9	0	0	0	111.5	R387 H395 H396 R401 D402 R403 R450	R387-D399 IonicContact CZ-OD2 3.89Å; R387-D399 IonicContact NH1-OD2 3.54Å; R387-D399 IonicContact NH2-OD2 2.93Å; R387-D399 PolarHBondContact NH2-OD2 3.39Å; H395-D399 VanDerWaalsContact O-CB 3.3Å; H395-D399 WeakPolarHBondContact O-CB 3.4Å; H395-D399 PolarHBondContact O-N 3.39Å; H396-D399 PolarHBondContact O-N 3.15Å; D399-R401 PolarHBondContact O-N 3Å; D399-D402 PolarHBondContact O-N 3.29Å; D399-R403 VanDerWaalsContact O-CB 3.31Å; D399-R403 WeakPolarHBondContact O-CB 3.5Å; D399-R403 PolarHBondContact O-N 2.83Å; D399-R450 IonicContact OD1-CZ 3.89Å; D399-R450 VanDerWaalsContact OD1-CZ 3.26Å; D399-R450 IonicContact OD1-NH1 2.93Å; D399-R450 PolarHBondContact OD1-NH1 3.17Å; D399-R450 IonicContact OD1-NH2 2.84Å; D399-R450 PolarHBondContact OD1-NH2 3.26Å
400	A	94.8	Very high	91.2	Very high	3 Å²	3	49 Å²	49	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-40.7	174.2	0	0	0	0	0	112.5	L376 Q379 A380 H396 L397 W398 R403 L404	L376-A400 HydrophobicContact CD1-CB 3.91Å; Q379-A400 HydrophobicContact CB-CB 3.84Å; A380-A400 HydrophobicContact CB-CB 3.86Å; H396-A400 VanDerWaalsContact O-CB 3.27Å; H396-A400 WeakPolarHBondContact O-CB 3.45Å; H396-A400 PolarHBondContact O-N 3Å; L397-A400 PolarHBondContact O-N 3.03Å; W398-A400 VanDerWaalsContact C-N 3.35Å; A400-R403 WeakPolarHBondContact O-CB 3.43Å; A400-R403 PolarHBondContact O-N 3.43Å; A400-L404 WeakPolarHBondContact O-CG 3.4Å; A400-L404 PolarHBondContact O-N 3.05Å
401	R	93.5	Very high	90	Very high	23 Å²	23	56.3 Å²	56.3	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-50.2	174.5	-179	-170.5	176	-124.8	7.7	111.2	G364 L376 L397 W398 D399 R403 L404 I405 S458	G364-R401 VanDerWaalsContact O-CZ 3.25Å; G364-R401 PolarHBondContact O-NE 3.5Å; G364-R401 PolarHBondContact O-NH2 2.83Å; L376-R401 VanDerWaalsContact CD1-CA 3.5Å; L376-R401 HydrophobicContact CD1-CB 3.72Å; L376-R401 VanDerWaalsContact CD1-N 3.29Å; L397-R401 PolarHBondContact O-N 3.37Å; W398-R401 PolarHBondContact O-N 3.33Å; D399-R401 PolarHBondContact O-N 3Å; R401-R403 PolarHBondContact O-N 3.49Å; R401-L404 PolarHBondContact O-N 3.47Å; R401-L404 VanDerWaalsContact O-N 3.07Å; R401-I405 HydrophobicContact CG-CD1 3.96Å; R401-I405 WeakPolarHBondContact O-CG1 3.43Å; R401-I405 PolarHBondContact O-N 2.99Å; R401-I405 VanDerWaalsContact O-N 3.09Å; R401-S458 PolarHBondContact NH1-OG 3.19Å
402	D	90.6	Very high	88.5	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.032	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-38.5	178.2	-65.4	-4.6	0	0	0	110.9	W398 D399 I405 M406 K444	W398-D402 VanDerWaalsContact O-CG 3.26Å; W398-D402 PolarHBondContact O-N 3.22Å; D399-D402 PolarHBondContact O-N 3.29Å; D402-I405 PolarHBondContact O-N 2.99Å; D402-M406 HydrophobicContact CB-CE 3.89Å; D402-M406 PolarHBondContact O-N 3.26Å; D402-K444 WeakPolarHBondContact OD1-CE 3.31Å; D402-K444 IonicContact OD1-NZ 3.09Å; D402-K444 PolarHBondContact OD1-NZ 3.42Å; D402-K444 WeakPolarHBondContact OD2-CE 3.4Å; D402-K444 IonicContact OD2-NZ 3.03Å; D402-K444 PolarHBondContact OD2-NZ 3.01Å
403	R	90.6	Very high	86.9	Confident	100 Å²	100	66.3 Å²	66.3	38%	0.377	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-36.9	176	-178.7	178	179.1	-173.7	-2.2	113.2	D399 A400 R401 I405 G407	D399-R403 VanDerWaalsContact O-CB 3.31Å; D399-R403 WeakPolarHBondContact O-CB 3.5Å; D399-R403 PolarHBondContact O-N 2.83Å; A400-R403 WeakPolarHBondContact O-CB 3.43Å; A400-R403 PolarHBondContact O-N 3.43Å; R401-R403 PolarHBondContact O-N 3.49Å; R403-I405 VanDerWaalsContact C-N 3.33Å; R403-G407 WeakPolarHBondContact CA-O 3.47Å; R403-G407 CarbonylContact O-C 3.57Å; R403-G407 WeakPolarHBondContact O-CA 3.11Å; R403-G407 PolarHBondContact O-N 3.21Å
404	L	89.7	Confident	85.6	Confident	62 Å²	62	65 Å²	65	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-35.3	175.2	-75.8	167.8	0	0	0	112.1	Y368 N375 L376 A400 R401	Y368-L404 HydrophobicContact CE1-CD1 4.31Å; N375-L404 WeakPolarHBondContact ND2-CD2 3.3Å; L376-L404 HydrophobicContact CB-CD1 3.77Å; L376-L404 HydrophobicContact CD1-CD1 3.82Å; L376-L404 HydrophobicContact CG-CD1 4.43Å; A400-L404 WeakPolarHBondContact O-CG 3.4Å; A400-L404 PolarHBondContact O-N 3.05Å; R401-L404 PolarHBondContact O-N 3.47Å; R401-L404 VanDerWaalsContact O-N 3.07Å
405	I	86.9	Confident	85.1	Confident	95 Å²	95	68.4 Å²	68.4	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-79.1	-45.9	-177.9	-61.5	168.2	0	0	0	111.6	R401 D402 R403	R401-I405 HydrophobicContact CG-CD1 3.96Å; R401-I405 WeakPolarHBondContact O-CG1 3.43Å; R401-I405 PolarHBondContact O-N 2.99Å; R401-I405 VanDerWaalsContact O-N 3.09Å; D402-I405 PolarHBondContact O-N 2.99Å; R403-I405 VanDerWaalsContact C-N 3.33Å
406	M	85.4	Confident	84.8	Confident	39 Å²	39	71.1 Å²	71.1	19%	0.192	35%	0.349	C	S	.	.	H	α-helix	trans	-117.8	-5.4	-169.2	-60.1	175.6	-74.6	0	0	114.4	D402 R450 G451 A453 L456	D402-M406 HydrophobicContact CB-CE 3.89Å; D402-M406 PolarHBondContact O-N 3.26Å; M406-R450 HydrophobicContact CB-CB 3.68Å; M406-R450 HydrophobicContact CE-CB 4.42Å; M406-R450 HydrophobicContact SD-CB 4.41Å; M406-G451 WeakPolarHBondContact O-CA 3.47Å; M406-G451 PolarHBondContact O-N 2.93Å; M406-A453 HydrophobicContact SD-CB 4.17Å; M406-L456 HydrophobicContact CE-CB 4Å; M406-L456 HydrophobicContact CE-CD2 3.33Å; M406-L456 HydrophobicContact CE-CG 4.2Å; M406-L456 HydrophobicContact SD-CB 3.9Å; M406-L456 HydrophobicContact SD-CD1 4.34Å; M406-L456 HydrophobicContact SD-CD2 3.83Å; M406-L456 HydrophobicContact SD-CG 4.22Å
407	G	87.8	Confident	84.5	Confident	22 Å²	22	78.1 Å²	78.1	23%	0.227	38%	0.381	C	S	.	.			trans	86.4	-175.5	-172.2	0	0	0	0	0	114	R403	R403-G407 WeakPolarHBondContact CA-O 3.47Å; R403-G407 CarbonylContact O-C 3.57Å; R403-G407 WeakPolarHBondContact O-CA 3.11Å; R403-G407 PolarHBondContact O-N 3.21Å
408	P	86.4	Confident	84.1	Confident	83 Å²	83	80.9 Å²	80.9	54%	0.539	40%	0.398	S	S	.	.	S	Bend	trans	-66.8	149.1	-174.3	28.8	-34.9	0	0	0	112.5
409	A	83.5	Confident	84	Confident	46 Å²	46	80.8 Å²	80.8	38%	0.38	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-65.2	137.5	172.5	0	0	0	0	0	111.5	I448 R450	A409-I448 HydrophobicContact CB-CG2 4.09Å; A409-R450 HydrophobicContact CB-CG 4.19Å
410	K	81.2	Confident	84.1	Confident	110 Å²	110	84 Å²	84	48%	0.478	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-80.1	131.2	172.7	-65.4	-179.9	-177.1	167.8	0	109.2	P449 G451	K410-P449 HydrophobicContact CB-CG 4.17Å; K410-P449 HydrophobicContact CD-CB 4.49Å; K410-P449 PolarHBondContact N-O 2.93Å; K410-G451 WeakPolarHBondContact CE-O 3.37Å; K410-G451 PolarHBondContact NZ-O 2.79Å
411	R	68.3	Low	84	Confident	250 Å²	250	84.6 Å²	84.6	94%	0.943	41%	0.413	S	S	*	.	S	Bend	trans	-77.8	-22.9	-179.8	-77.4	-175.4	174.1	155.5	-2	114.6	P413	R411-P413 WeakPolarHBondContact O-CD 3.29Å
412	R	65.7	Low	84	Confident	220 Å²	220	84.1 Å²	84.1	83%	0.83	41%	0.413	S	S	*	.	S	Bend	trans	-83.3	117.3	178.2	-68.4	-175.4	-176.7	176.7	1.3	107.4	L414	R412-L414 PolarHBondContact O-N 2.85Å
413	P	61.9	Low	84.3	Confident	100 Å²	100	83.8 Å²	83.8	65%	0.649	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-54.2	139.7	166.7	13	-14.5	0	0	0	107.9	R411	R411-P413 WeakPolarHBondContact O-CD 3.29Å
414	L	67.7	Low	84.6	Confident	48 Å²	48	79.1 Å²	79.1	25%	0.251	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-61.8	166.5	171	-57.1	163.3	0	0	0	108.4	R412 T418 N419 P449	R412-L414 PolarHBondContact O-N 2.85Å; L414-T418 HydrophobicContact CB-CG2 3.98Å; L414-T418 HydrophobicContact CD1-CG2 3.62Å; L414-T418 HydrophobicContact CG-CG2 4.23Å; L414-N419 WeakPolarHBondContact CB-OD1 3.31Å; L414-N419 PolarHBondContact O-ND2 2.82Å; L414-P449 HydrophobicContact CD1-CB 4.11Å; L414-P449 HydrophobicContact CD1-CG 4.23Å; L414-P449 HydrophobicContact CG-CB 4.47Å; L414-P449 HydrophobicContact CG-CG 4.2Å
415	D	83.4	Confident	84.9	Confident	87 Å²	87	76.7 Å²	76.7	47%	0.465	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-52.1	146.2	167.5	57.7	-67.8	0	0	0	110.4	Q417 T418 N419	D415-Q417 PolarHBondContact O-N 3.18Å; D415-Q417 WeakPolarHBondContact OD2-CB 3.33Å; D415-T418 PolarHBondContact O-N 2.84Å; D415-T418 WeakPolarHBondContact OD1-CB 3.39Å; D415-T418 PolarHBondContact OD1-OG1 2.79Å; D415-T418 WeakPolarHBondContact OD2-CB 2.94Å; D415-T418 PolarHBondContact OD2-N 3.02Å; D415-T418 PolarHBondContact OD2-OG1 3.01Å; D415-N419 PolarHBondContact O-N 2.58Å
416	D	86.2	Confident	85.4	Confident	143 Å²	143	72.9 Å²	72.9	77%	0.765	36%	0.361	S	S	*	.	H	α-helix	trans	-53.2	-31.3	-177.3	-67.1	-16.7	0	0	0	112.4	R420	D416-R420 WeakPolarHBondContact O-CB 3.07Å; D416-R420 PolarHBondContact O-N 2.86Å
417	Q	88.6	Confident	86	Confident	147 Å²	147	71 Å²	71	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-69.8	-46.4	177.3	-178.7	177.4	3.2	0	0	111.6	D415 R420 V421	D415-Q417 PolarHBondContact O-N 3.18Å; D415-Q417 WeakPolarHBondContact OD2-CB 3.33Å; Q417-R420 WeakPolarHBondContact O-CB 3.47Å; Q417-R420 PolarHBondContact O-N 3.23Å; Q417-V421 WeakPolarHBondContact O-CG2 3.47Å; Q417-V421 PolarHBondContact O-N 2.63Å
418	T	88.5	Confident	86.5	Confident	57 Å²	57	70 Å²	70	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-67.5	-42	177.7	-62.1	0	0	0	0	112.2	L414 D415 R420 V421 S422	L414-T418 HydrophobicContact CB-CG2 3.98Å; L414-T418 HydrophobicContact CD1-CG2 3.62Å; L414-T418 HydrophobicContact CG-CG2 4.23Å; D415-T418 PolarHBondContact O-N 2.84Å; D415-T418 WeakPolarHBondContact OD1-CB 3.39Å; D415-T418 PolarHBondContact OD1-OG1 2.79Å; D415-T418 WeakPolarHBondContact OD2-CB 2.94Å; D415-T418 PolarHBondContact OD2-N 3.02Å; D415-T418 PolarHBondContact OD2-OG1 3.01Å; T418-R420 VanDerWaalsContact C-N 3.25Å; T418-R420 PolarHBondContact O-N 3.21Å; T418-V421 PolarHBondContact O-N 3.05Å; T418-S422 PolarHBondContact O-N 2.77Å
419	N	91	Very high	87	Confident	24 Å²	24	66.5 Å²	66.5	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-41.4	171.9	-83.1	-16.9	0	0	0	111	L414 D415 S422 A423 L579	L414-N419 WeakPolarHBondContact CB-OD1 3.31Å; L414-N419 PolarHBondContact O-ND2 2.82Å; D415-N419 PolarHBondContact O-N 2.58Å; N419-S422 PolarHBondContact O-N 3.32Å; N419-A423 WeakPolarHBondContact O-CB 3.37Å; N419-A423 PolarHBondContact O-N 3.45Å; N419-L579 HydrophobicContact CB-CD2 4.37Å
420	R	93.7	Very high	87.7	Confident	98 Å²	98	64.3 Å²	64.3	37%	0.37	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-47.5	174.9	-175.5	179.3	-176.8	83	4.6	111.8	D416 Q417 T418 S422 A423 F424 F491 L579	D416-R420 WeakPolarHBondContact O-CB 3.07Å; D416-R420 PolarHBondContact O-N 2.86Å; Q417-R420 WeakPolarHBondContact O-CB 3.47Å; Q417-R420 PolarHBondContact O-N 3.23Å; T418-R420 VanDerWaalsContact C-N 3.25Å; T418-R420 PolarHBondContact O-N 3.21Å; R420-S422 VanDerWaalsContact C-N 3.35Å; R420-S422 PolarHBondContact O-N 2.66Å; R420-A423 PolarHBondContact O-N 2.64Å; R420-F424 HydrophobicContact CG-CD2 3.97Å; R420-F424 HydrophobicContact CG-CE2 3.9Å; R420-F424 VanDerWaalsContact O-CD2 3.28Å; R420-F424 WeakPolarHBondContact O-CD2 3.35Å; R420-F424 PolarHBondContact O-N 3.26Å; R420-F491 HydrophobicContact CG-CE1 4.35Å; R420-F491 HydrophobicContact CG-CZ 4.14Å; R420-L579 HydrophobicContact CB-CD2 4.45Å; R420-L579 HydrophobicContact CG-CD1 4.3Å
421	V	93.9	Very high	88.5	Confident	17 Å²	17	59.1 Å²	59.1	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-47	178.1	173.9	0	0	0	0	110.9	Q417 T418 A423 F424 H425 E487 F491 T497	Q417-V421 WeakPolarHBondContact O-CG2 3.47Å; Q417-V421 PolarHBondContact O-N 2.63Å; T418-V421 PolarHBondContact O-N 3.05Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.68Å; V421-F424 PolarHBondContact O-N 3.11Å; V421-H425 WeakPolarHBondContact O-CB 3.45Å; V421-H425 PolarHBondContact O-N 2.97Å; V421-E487 HydrophobicContact CG1-CG 4.12Å; V421-F491 HydrophobicContact CB-CE2 4.38Å; V421-F491 HydrophobicContact CG1-CE2 4.46Å; V421-F491 HydrophobicContact CG2-CE2 4Å; V421-F491 HydrophobicContact CG2-CZ 4.01Å; V421-T497 HydrophobicContact CG1-CG2 3.66Å; V421-T497 HydrophobicContact CG2-CG2 4.41Å
422	S	94	Very high	89.9	Confident	12 Å²	12	47.2 Å²	47.2	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-43.4	177	179.7	0	0	0	0	111.8	T418 N419 R420 F424 H425 E426 G454	T418-S422 PolarHBondContact O-N 2.77Å; N419-S422 PolarHBondContact O-N 3.32Å; R420-S422 VanDerWaalsContact C-N 3.35Å; R420-S422 PolarHBondContact O-N 2.66Å; S422-F424 PolarHBondContact O-N 2.96Å; S422-H425 WeakPolarHBondContact O-CB 3.41Å; S422-H425 PolarHBondContact O-N 3.41Å; S422-E426 WeakPolarHBondContact O-CB 3.45Å; S422-E426 VanDerWaalsContact O-CG 3.3Å; S422-E426 WeakPolarHBondContact O-CG 3.36Å; S422-E426 PolarHBondContact O-N 3.02Å; S422-G454 PolarHBondContact OG-O 3.33Å
423	A	95.7	Very high	91.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-42.3	177.6	0	0	0	0	0	113.6	N419 R420 V421 A427 I447 A575 L578 L579	N419-A423 WeakPolarHBondContact O-CB 3.37Å; N419-A423 PolarHBondContact O-N 3.45Å; R420-A423 PolarHBondContact O-N 2.64Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 2.68Å; A423-A427 WeakPolarHBondContact O-CB 3.32Å; A423-A427 PolarHBondContact O-N 3.21Å; A423-I447 HydrophobicContact CB-CG2 3.96Å; A423-A575 HydrophobicContact CB-CB 4.5Å; A423-L578 HydrophobicContact CB-CB 4.11Å; A423-L579 HydrophobicContact CB-CD2 3.94Å; A423-L579 HydrophobicContact CB-CG 3.72Å
424	F	96.8	Very high	93	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-72.7	-33.6	176.9	-80.3	-80.8	0	0	0	112.6	R420 V421 S422 G428 V490 F491 H571 K572 A575	R420-F424 HydrophobicContact CG-CD2 3.97Å; R420-F424 HydrophobicContact CG-CE2 3.9Å; R420-F424 VanDerWaalsContact O-CD2 3.28Å; R420-F424 WeakPolarHBondContact O-CD2 3.35Å; R420-F424 PolarHBondContact O-N 3.26Å; V421-F424 PolarHBondContact O-N 3.11Å; S422-F424 PolarHBondContact O-N 2.96Å; F424-G428 PolarHBondContact O-N 2.87Å; F424-G428 VanDerWaalsContact O-N 3.14Å; F424-V490 HydrophobicContact CD1-CB 4.11Å; F424-V490 HydrophobicContact CD1-CG1 3.96Å; F424-V490 HydrophobicContact CD1-CG2 3.62Å; F424-V490 HydrophobicContact CD2-CG1 4.44Å; F424-V490 HydrophobicContact CE1-CB 4.3Å; F424-V490 HydrophobicContact CE1-CG1 3.77Å; F424-V490 HydrophobicContact CE1-CG2 3.76Å; F424-V490 HydrophobicContact CE2-CG1 4.32Å; F424-V490 HydrophobicContact CG-CG1 4.28Å; F424-V490 HydrophobicContact CG-CG2 4.47Å; F424-V490 HydrophobicContact CZ-CG1 3.99Å; F424-F491 HydrophobicContact CB-CE2 3.87Å; F424-F491 HydrophobicContact CB-CZ 4.19Å; F424-F491 HydrophobicContact CD2-CE2 4.22Å; F424-F491 AromaticContact CD2-CZ 3.65Å; F424-F491 HydrophobicContact CD2-CZ 3.65Å; F424-F491 HydrophobicContact CE2-CZ 4.38Å; F424-F491 HydrophobicContact CG-CE2 4.22Å; F424-F491 HydrophobicContact CG-CZ 4.1Å; F424-H571 AromaticContact CD1-CE1 3.62Å; F424-H571 PolarHBondContact O-NE2 3.27Å; F424-K572 HydrophobicContact CE1-CB 4.37Å; F424-K572 HydrophobicContact CE1-CG 4.33Å; F424-K572 HydrophobicContact CZ-CG 4.43Å; F424-A575 HydrophobicContact CB-CB 4.44Å; F424-A575 HydrophobicContact CD1-CB 3.46Å; F424-A575 VanDerWaalsContact CD1-CB 3.46Å; F424-A575 HydrophobicContact CD2-CB 4Å; F424-A575 HydrophobicContact CE1-CB 3.56Å; F424-A575 HydrophobicContact CE2-CB 4.04Å; F424-A575 HydrophobicContact CG-CB 3.72Å; F424-A575 HydrophobicContact CZ-CB 3.84Å
425	H	96.9	Very high	94.4	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-55.6	173.6	-176.7	104.3	0	0	0	111.1	V421 S422 A427 G428 H429 G483 E487 D503	V421-H425 WeakPolarHBondContact O-CB 3.45Å; V421-H425 PolarHBondContact O-N 2.97Å; S422-H425 WeakPolarHBondContact O-CB 3.41Å; S422-H425 PolarHBondContact O-N 3.41Å; H425-A427 PolarHBondContact O-N 2.77Å; H425-G428 WeakPolarHBondContact O-CA 3.32Å; H425-G428 PolarHBondContact O-N 3.37Å; H425-H429 AromaticContact CD2-CD2 3.54Å; H425-H429 AromaticContact CD2-NE2 3.54Å; H425-H429 AromaticContact CE1-NE2 3.84Å; H425-H429 AromaticContact NE2-CD2 3.6Å; H425-H429 AromaticContact NE2-NE2 3.08Å; H425-H429 PolarHBondContact NE2-NE2 3.48Å; H425-H429 PolarHBondContact O-N 3.15Å; H425-G483 WeakPolarHBondContact O-CA 3.45Å; H425-E487 HydrophobicContact CB-CG 4.12Å; H425-E487 IonicContact CE1-OE1 2.68Å; H425-E487 IonicContact CG-OE1 3.26Å; H425-E487 IonicContact ND1-OE1 2.94Å; H425-E487 PolarHBondContact ND1-OE1 3.11Å; H425-D503 IonicContact CE1-OD2 2.72Å; H425-D503 IonicContact NE2-OD2 3.36Å; H425-D503 PolarHBondContact NE2-OD2 2.97Å
426	E	97.1	Very high	95	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-36.7	-178.7	-63.1	-55.6	156.9	0	0	112.6	S422 G428 H429 A430 V445 I447 L456 T457 L578	S422-E426 WeakPolarHBondContact O-CB 3.45Å; S422-E426 VanDerWaalsContact O-CG 3.3Å; S422-E426 WeakPolarHBondContact O-CG 3.36Å; S422-E426 PolarHBondContact O-N 3.02Å; E426-G428 PolarHBondContact O-N 3.11Å; E426-H429 PolarHBondContact O-N 3.31Å; E426-A430 WeakPolarHBondContact O-CB 3.36Å; E426-A430 PolarHBondContact O-N 2.91Å; E426-V445 HydrophobicContact CB-CG2 3.62Å; E426-I447 HydrophobicContact CG-CG2 4.44Å; E426-L456 PolarHBondContact OE1-N 2.83Å; E426-L456 VanDerWaalsContact OE2-C 3.26Å; E426-T457 PolarHBondContact O-OG1 3.49Å; E426-T457 PolarHBondContact OE2-N 3.3Å; E426-T457 PolarHBondContact OE2-OG1 3.47Å; E426-L578 HydrophobicContact CB-CD1 4.32Å
427	A	97.5	Very high	95.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-33	170.9	0	0	0	0	0	112.1	A423 H425 L431 L574 A575 L578	A423-A427 WeakPolarHBondContact O-CB 3.32Å; A423-A427 PolarHBondContact O-N 3.21Å; H425-A427 PolarHBondContact O-N 2.77Å; A427-L431 WeakPolarHBondContact O-CB 3.48Å; A427-L431 PolarHBondContact O-N 2.76Å; A427-L574 HydrophobicContact CB-CB 4.18Å; A427-L574 HydrophobicContact CB-CD2 4.09Å; A427-L574 HydrophobicContact CB-CG 3.93Å; A427-A575 HydrophobicContact CB-CB 3.93Å; A427-L578 HydrophobicContact CB-CD1 4.11Å
428	G	97.7	Very high	95.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-53.3	175.2	0	0	0	0	0	111.5	F424 H425 E426 A430 L431 V432 G482 H571	F424-G428 PolarHBondContact O-N 2.87Å; F424-G428 VanDerWaalsContact O-N 3.14Å; H425-G428 WeakPolarHBondContact O-CA 3.32Å; H425-G428 PolarHBondContact O-N 3.37Å; E426-G428 PolarHBondContact O-N 3.11Å; G428-A430 PolarHBondContact O-N 3Å; G428-L431 PolarHBondContact O-N 3.38Å; G428-V432 VanDerWaalsContact O-CG2 3.24Å; G428-V432 WeakPolarHBondContact O-CG2 3.4Å; G428-V432 PolarHBondContact O-N 2.97Å; G428-V432 VanDerWaalsContact O-N 3.08Å; G428-G482 WeakPolarHBondContact CA-O 3.42Å; G428-H571 PolarHBondContact N-NE2 2.82Å
429	H	97.9	Very high	95.9	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.046	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-50.7	174.8	-71.5	-62.6	0	0	0	112.5	H425 E426 L431 V432 A433 T457 V479 L480 G483 D503	H425-H429 AromaticContact CD2-CD2 3.54Å; H425-H429 AromaticContact CD2-NE2 3.54Å; H425-H429 AromaticContact CE1-NE2 3.84Å; H425-H429 AromaticContact NE2-CD2 3.6Å; H425-H429 AromaticContact NE2-NE2 3.08Å; H425-H429 PolarHBondContact NE2-NE2 3.48Å; H425-H429 PolarHBondContact O-N 3.15Å; E426-H429 PolarHBondContact O-N 3.31Å; H429-L431 PolarHBondContact O-N 2.97Å; H429-V432 PolarHBondContact O-N 2.92Å; H429-A433 WeakPolarHBondContact O-CB 3.1Å; H429-A433 PolarHBondContact O-N 2.91Å; H429-T457 HydrophobicContact CB-CG2 4.01Å; H429-T457 WeakPolarHBondContact CB-OG1 3.47Å; H429-V479 PolarHBondContact CE1-O 2.82Å; H429-V479 PolarHBondContact ND1-O 2.92Å; H429-L480 PolarHBondContact CE1-O 2.7Å; H429-G483 PolarHBondContact CE1-N 2.83Å; H429-G483 VanDerWaalsContact CE1-N 3.33Å; H429-G483 WeakPolarHBondContact NE2-CA 3.31Å; H429-G483 PolarHBondContact NE2-N 2.91Å; H429-D503 IonicContact CE1-OD1 2.71Å; H429-D503 IonicContact CE1-OD2 2.96Å; H429-D503 IonicContact NE2-OD2 3.6Å; H429-D503 PolarHBondContact NE2-OD2 2.96Å
430	A	97.9	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-42.2	-176.5	0	0	0	0	0	112.5	E426 G428 A433 L434 L442 V445 T457 L574	E426-A430 WeakPolarHBondContact O-CB 3.36Å; E426-A430 PolarHBondContact O-N 2.91Å; G428-A430 PolarHBondContact O-N 3Å; A430-A433 PolarHBondContact O-N 3.27Å; A430-L434 WeakPolarHBondContact O-CG 3.4Å; A430-L434 PolarHBondContact O-N 2.93Å; A430-L434 VanDerWaalsContact O-N 3.16Å; A430-L442 HydrophobicContact CB-CD1 4.1Å; A430-L442 HydrophobicContact CB-CD2 4.08Å; A430-V445 HydrophobicContact CB-CB 4.17Å; A430-V445 HydrophobicContact CB-CG1 4.27Å; A430-V445 HydrophobicContact CB-CG2 4.26Å; A430-T457 HydrophobicContact CB-CG2 4.12Å; A430-L574 HydrophobicContact CB-CD2 4.08Å
431	L	97.5	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.8	-41.7	-179.4	-172	59.8	0	0	0	111.9	A427 G428 H429 A433 L434 L435 L564 Q567 Q570 H571 L593	A427-L431 WeakPolarHBondContact O-CB 3.48Å; A427-L431 PolarHBondContact O-N 2.76Å; G428-L431 PolarHBondContact O-N 3.38Å; H429-L431 PolarHBondContact O-N 2.97Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.2Å; L431-L434 PolarHBondContact O-N 3.34Å; L431-L435 HydrophobicContact CD1-CD1 3.7Å; L431-L435 HydrophobicContact CD1-CG 4.11Å; L431-L435 HydrophobicContact CG-CD1 3.77Å; L431-L435 HydrophobicContact CG-CG 4.46Å; L431-L435 WeakPolarHBondContact O-CB 3.15Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.16Å; L431-L435 PolarHBondContact O-N 3.02Å; L431-L435 VanDerWaalsContact O-N 3.12Å; L431-L564 HydrophobicContact CB-CD2 4.14Å; L431-L564 HydrophobicContact CD2-CD2 3.77Å; L431-L564 HydrophobicContact CG-CD2 4.12Å; L431-Q567 HydrophobicContact CD2-CB 4.01Å; L431-Q570 HydrophobicContact CD1-CB 4.38Å; L431-Q570 HydrophobicContact CD2-CB 4.09Å; L431-H571 HydrophobicContact CD2-CB 3.78Å; L431-L593 HydrophobicContact CD1-CD1 4.1Å; L431-L593 HydrophobicContact CD1-CD2 4.28Å
432	V	98	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-43.2	174.2	176.1	0	0	0	0	110.4	G428 H429 L434 L435 T436 D478 V479 V560 L563 L564	G428-V432 VanDerWaalsContact O-CG2 3.24Å; G428-V432 WeakPolarHBondContact O-CG2 3.4Å; G428-V432 PolarHBondContact O-N 2.97Å; G428-V432 VanDerWaalsContact O-N 3.08Å; H429-V432 PolarHBondContact O-N 2.92Å; V432-L434 VanDerWaalsContact C-N 3.26Å; V432-L434 PolarHBondContact O-N 3.41Å; V432-L435 PolarHBondContact O-N 3.18Å; V432-T436 WeakPolarHBondContact CG1-OG1 3.49Å; V432-T436 VanDerWaalsContact O-CB 3.28Å; V432-T436 WeakPolarHBondContact O-CB 3.37Å; V432-T436 PolarHBondContact O-N 2.89Å; V432-T436 PolarHBondContact O-OG1 3.45Å; V432-T436 VanDerWaalsContact O-OG1 3.04Å; V432-D478 HydrophobicContact CG1-CB 4.14Å; V432-D478 WeakPolarHBondContact CG1-O 3.3Å; V432-V479 HydrophobicContact CG1-CG2 4.14Å; V432-V560 HydrophobicContact CG1-CG2 4.26Å; V432-V560 HydrophobicContact CG2-CG1 3.76Å; V432-L563 HydrophobicContact CG2-CD2 4.27Å; V432-L564 HydrophobicContact CG2-CD1 3.92Å; V432-L564 HydrophobicContact CG2-CD2 3.93Å; V432-L564 HydrophobicContact CG2-CG 3.85Å
433	A	97.3	Very high	96.1	Very high	6 Å²	6	22.4 Å²	22.4	5%	0.05	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-30.4	179.5	0	0	0	0	0	114	H429 A430 L431 S439 F459 V479	H429-A433 WeakPolarHBondContact O-CB 3.1Å; H429-A433 PolarHBondContact O-N 2.91Å; A430-A433 PolarHBondContact O-N 3.27Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.2Å; A433-S439 WeakPolarHBondContact CA-OG 3.43Å; A433-S439 WeakPolarHBondContact O-CB 3.48Å; A433-S439 PolarHBondContact O-OG 3.15Å; A433-F459 HydrophobicContact CB-CD1 4.22Å; A433-F459 HydrophobicContact CB-CE1 3.49Å; A433-F459 VanDerWaalsContact CB-CE1 3.49Å; A433-F459 HydrophobicContact CB-CZ 4.41Å; A433-V479 HydrophobicContact CB-CG1 4.45Å; A433-V479 HydrophobicContact CB-CG2 3.81Å
434	L	96.5	Very high	96.1	Very high	49 Å²	49	23.1 Å²	23.1	26%	0.257	14%	0.136	S	C	.	.	H	α-helix	trans	-78.9	-30.3	176.7	-74	172.5	0	0	0	113.4	A430 L431 V432 L442 V589 L590 L593	A430-L434 WeakPolarHBondContact O-CG 3.4Å; A430-L434 PolarHBondContact O-N 2.93Å; A430-L434 VanDerWaalsContact O-N 3.16Å; L431-L434 PolarHBondContact O-N 3.34Å; V432-L434 VanDerWaalsContact C-N 3.26Å; V432-L434 PolarHBondContact O-N 3.41Å; L434-L442 HydrophobicContact CD1-CD2 3.9Å; L434-L442 HydrophobicContact CD2-CB 4Å; L434-L442 HydrophobicContact CD2-CD2 4.17Å; L434-L442 HydrophobicContact CG-CB 4.3Å; L434-L442 HydrophobicContact CG-CD2 3.97Å; L434-V589 HydrophobicContact CD1-CG1 3.54Å; L434-L590 HydrophobicContact CD1-CD2 4.48Å; L434-L590 HydrophobicContact CD2-CD2 4.33Å; L434-L593 HydrophobicContact CD1-CD1 3.84Å
435	L	96.1	Very high	96	Very high	73 Å²	73	23.1 Å²	23.1	38%	0.382	14%	0.136	S	C	.	.	H	α-helix	trans	-100.6	-21.4	-171.4	-64.4	178.6	0	0	0	113.7	L431 V432 L563 Q567	L431-L435 HydrophobicContact CD1-CD1 3.7Å; L431-L435 HydrophobicContact CD1-CG 4.11Å; L431-L435 HydrophobicContact CG-CD1 3.77Å; L431-L435 HydrophobicContact CG-CG 4.46Å; L431-L435 WeakPolarHBondContact O-CB 3.15Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.16Å; L431-L435 PolarHBondContact O-N 3.02Å; L431-L435 VanDerWaalsContact O-N 3.12Å; V432-L435 PolarHBondContact O-N 3.18Å; L435-L563 HydrophobicContact CB-CD1 4.03Å; L435-L563 HydrophobicContact CB-CD2 4.17Å; L435-L563 HydrophobicContact CB-CG 4.41Å; L435-L563 HydrophobicContact CD1-CD2 3.77Å; L435-L563 HydrophobicContact CD1-CG 4.44Å; L435-Q567 HydrophobicContact CD1-CB 4.26Å; L435-Q567 HydrophobicContact CD1-CG 3.67Å
436	T	96.6	Very high	95.8	Very high	22 Å²	22	22.7 Å²	22.7	14%	0.135	14%	0.135	C	C	.	.	S	Bend	trans	-82.3	122.2	176.7	-60.8	0	0	0	0	110.2	V432 S439 A475 D478	V432-T436 WeakPolarHBondContact CG1-OG1 3.49Å; V432-T436 VanDerWaalsContact O-CB 3.28Å; V432-T436 WeakPolarHBondContact O-CB 3.37Å; V432-T436 PolarHBondContact O-N 2.89Å; V432-T436 PolarHBondContact O-OG1 3.45Å; V432-T436 VanDerWaalsContact O-OG1 3.04Å; T436-S439 WeakPolarHBondContact O-CB 3.32Å; T436-S439 PolarHBondContact O-N 2.89Å; T436-A475 HydrophobicContact CG2-CB 3.66Å; T436-D478 HydrophobicContact CG2-CB 4.39Å
437	A	93.7	Very high	95.6	Very high	79 Å²	79	22.4 Å²	22.4	65%	0.653	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	150.2	173.5	0	0	0	0	0	111.2	S439	A437-S439 PolarHBondContact O-N 3.28Å
438	D	93.9	Very high	95.3	Very high	95 Å²	95	24.5 Å²	24.5	51%	0.508	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	4.5	-177.1	-56.4	-58.6	0	0	0	115.4	A471 Q472	D438-A471 HydrophobicContact CB-CB 4.27Å; D438-A471 WeakPolarHBondContact OD2-CB 3.43Å; D438-Q472 HydrophobicContact CB-CG 3.9Å; D438-Q472 WeakPolarHBondContact O-CG 3.35Å
439	S	94.3	Very high	94.8	Very high	18 Å²	18	25 Å²	25	13%	0.126	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-65.2	150.5	172.9	-176.5	0	0	0	0	111.1	A433 T436 A437 V479	A433-S439 WeakPolarHBondContact CA-OG 3.43Å; A433-S439 WeakPolarHBondContact O-CB 3.48Å; A433-S439 PolarHBondContact O-OG 3.15Å; T436-S439 WeakPolarHBondContact O-CB 3.32Å; T436-S439 PolarHBondContact O-N 2.89Å; A437-S439 PolarHBondContact O-N 3.28Å; S439-V479 WeakPolarHBondContact OG-CG2 3.42Å
440	I	93.7	Very high	94.4	Very high	33 Å²	33	25.3 Å²	25.3	17%	0.169	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-65.6	130	172.1	-55.3	174	0	0	0	108	L442 F459 Q461 Q476	I440-L442 PolarHBondContact O-N 3.39Å; I440-F459 HydrophobicContact CB-CB 4.09Å; I440-F459 HydrophobicContact CB-CG 4.5Å; I440-F459 HydrophobicContact CG2-CB 3.62Å; I440-Q461 HydrophobicContact CG2-CG 3.51Å; I440-Q476 HydrophobicContact CD1-CG 4.26Å
441	P	94.6	Very high	93.6	Very high	40 Å²	40	26.7 Å²	26.7	26%	0.26	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-57	134.7	-176.9	-25.5	33.5	0	0	0	112.9	H443 F459 L460	P441-H443 PolarHBondContact O-N 3.23Å; P441-F459 WeakPolarHBondContact O-CA 3.47Å; P441-L460 WeakPolarHBondContact CB-O 3.3Å; P441-L460 PolarHBondContact O-N 3.2Å
442	L	95.6	Very high	92.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	135.2	171.6	-180	67.9	0	0	0	110	A430 L434 I440 T457 F459 K586 V589	A430-L442 HydrophobicContact CB-CD1 4.1Å; A430-L442 HydrophobicContact CB-CD2 4.08Å; L434-L442 HydrophobicContact CD1-CD2 3.9Å; L434-L442 HydrophobicContact CD2-CB 4Å; L434-L442 HydrophobicContact CD2-CD2 4.17Å; L434-L442 HydrophobicContact CG-CB 4.3Å; L434-L442 HydrophobicContact CG-CD2 3.97Å; I440-L442 PolarHBondContact O-N 3.39Å; L442-T457 HydrophobicContact CD1-CG2 3.51Å; L442-F459 HydrophobicContact CD1-CE1 4.48Å; L442-K586 WeakPolarHBondContact O-CB 3.18Å; L442-K586 VanDerWaalsContact O-CD 3.29Å; L442-K586 WeakPolarHBondContact O-CD 3.35Å; L442-K586 WeakPolarHBondContact O-CG 3.29Å; L442-V589 HydrophobicContact CD2-CB 4.23Å; L442-V589 HydrophobicContact CD2-CG1 4.1Å; L442-V589 HydrophobicContact CD2-CG2 4.12Å
443	H	93.7	Very high	92.2	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.065	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-55.2	173.8	177.6	54.7	0	0	0	111.8	W398 P441 S458 L460 K586	W398-H443 AromaticContact CD2-NE2 3.5Å; W398-H443 AromaticContact CE2-CE1 3.56Å; W398-H443 AromaticContact CE2-NE2 3.48Å; W398-H443 AromaticContact CE3-NE2 3.54Å; W398-H443 AromaticContact CH2-CE1 3.66Å; W398-H443 AromaticContact CH2-NE2 3.64Å; W398-H443 AromaticContact CZ2-CE1 3.37Å; W398-H443 WeakPolarHBondContact CZ2-CE1 3.3Å; W398-H443 AromaticContact CZ2-NE2 3.59Å; W398-H443 AromaticContact CZ3-NE2 3.6Å; P441-H443 PolarHBondContact O-N 3.23Å; H443-S458 VanDerWaalsContact CB-O 3.32Å; H443-S458 WeakPolarHBondContact CB-O 3.44Å; H443-S458 PolarHBondContact N-O 3.16Å; H443-L460 HydrophobicContact CB-CB 3.67Å; H443-K586 PolarHBondContact O-N 3.49Å
444	K	94.5	Very high	91.6	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.065	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.5	177.6	69.3	-179.6	176.5	-178.8	0	110	D402 S458 L584	D402-K444 WeakPolarHBondContact OD1-CE 3.31Å; D402-K444 IonicContact OD1-NZ 3.09Å; D402-K444 PolarHBondContact OD1-NZ 3.42Å; D402-K444 WeakPolarHBondContact OD2-CE 3.4Å; D402-K444 IonicContact OD2-NZ 3.03Å; D402-K444 PolarHBondContact OD2-NZ 3.01Å; K444-S458 PolarHBondContact N-O 3.27Å; K444-S458 PolarHBondContact O-N 2.74Å; K444-L584 CarbonylContact C-O 3.41Å; K444-L584 VanDerWaalsContact CA-O 3.25Å; K444-L584 WeakPolarHBondContact CA-O 3.37Å; K444-L584 WeakPolarHBondContact CB-O 3.49Å
445	V	95.6	Very high	91.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.4	173.9	52.2	0	0	0	0	109	E426 A430 L456 L578 T583 L584 V589	E426-V445 HydrophobicContact CB-CG2 3.62Å; A430-V445 HydrophobicContact CB-CB 4.17Å; A430-V445 HydrophobicContact CB-CG1 4.27Å; A430-V445 HydrophobicContact CB-CG2 4.26Å; V445-L456 CarbonylContact C-O 3.59Å; V445-L456 WeakPolarHBondContact CA-O 3.49Å; V445-L578 HydrophobicContact CB-CD2 4.45Å; V445-L578 HydrophobicContact CG1-CD1 4.5Å; V445-L578 HydrophobicContact CG1-CD2 3.88Å; V445-L578 HydrophobicContact CG2-CD1 3.83Å; V445-L578 HydrophobicContact CG2-CD2 4.03Å; V445-T583 CarbonylContact O-C 3.51Å; V445-T583 WeakPolarHBondContact O-CA 3.25Å; V445-L584 HydrophobicContact CG1-CB 4.09Å; V445-L584 PolarHBondContact N-O 3.47Å; V445-L584 PolarHBondContact O-N 3.49Å; V445-V589 HydrophobicContact CG1-CG2 3.65Å
446	T	93.2	Very high	91	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.3	-178.7	-174.9	0	0	0	0	111.3	I448 G455 L456 E582 T583	T446-I448 WeakPolarHBondContact OG1-CB 3.46Å; T446-I448 WeakPolarHBondContact OG1-CG1 3.12Å; T446-I448 PolarHBondContact OG1-N 3.32Å; T446-I448 VanDerWaalsContact OG1-N 3.15Å; T446-G455 CarbonylContact O-C 3.59Å; T446-G455 WeakPolarHBondContact O-CA 3.35Å; T446-L456 HydrophobicContact CG2-CB 4.03Å; T446-L456 PolarHBondContact N-O 3.47Å; T446-L456 PolarHBondContact O-N 3.06Å; T446-E582 CarbonylContact C-O 3.54Å; T446-E582 VanDerWaalsContact CA-O 3.3Å; T446-E582 WeakPolarHBondContact CA-O 3.28Å; T446-E582 PolarHBondContact OG1-O 3.29Å; T446-T583 WeakPolarHBondContact CB-OG1 3.46Å; T446-T583 PolarHBondContact OG1-OG1 2.97Å
447	I	92.6	Very high	90.9	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.046	21%	0.214	C	C	.	.			trans	-106.5	14.1	170.8	61.4	162.4	0	0	0	111.8	A423 E426 P449 G454 L578 L579 E582	A423-I447 HydrophobicContact CB-CG2 3.96Å; E426-I447 HydrophobicContact CG-CG2 4.44Å; I447-P449 VanDerWaalsContact O-CD 3.29Å; I447-P449 WeakPolarHBondContact O-CD 3.35Å; I447-G454 CarbonylContact C-O 3.56Å; I447-G454 VanDerWaalsContact O-O 3.12Å; I447-L578 VanDerWaalsContact CD1-O 3.3Å; I447-L578 WeakPolarHBondContact CD1-O 3.48Å; I447-L578 HydrophobicContact CG2-CB 4.19Å; I447-L578 HydrophobicContact CG2-CD1 4.42Å; I447-L579 HydrophobicContact CD1-CD2 4.31Å; I447-E582 HydrophobicContact CG1-CB 4.25Å; I447-E582 WeakPolarHBondContact CG1-O 3.48Å; I447-E582 PolarHBondContact N-O 3.42Å
448	I	89.9	Confident	90.9	Very high	45 Å²	45	31.9 Å²	31.9	23%	0.231	19%	0.187	C	C	.	.			trans	-77.3	117	177.7	-62.2	174.4	0	0	0	108.6	A409 T446 E582 T583	A409-I448 HydrophobicContact CB-CG2 4.09Å; T446-I448 WeakPolarHBondContact OG1-CB 3.46Å; T446-I448 WeakPolarHBondContact OG1-CG1 3.12Å; T446-I448 PolarHBondContact OG1-N 3.32Å; T446-I448 VanDerWaalsContact OG1-N 3.15Å; I448-E582 HydrophobicContact CD1-CB 4.4Å; I448-E582 HydrophobicContact CG1-CB 4.07Å; I448-T583 WeakPolarHBondContact CD1-OG1 3.46Å
449	P	88.7	Confident	90.8	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.065	18%	0.175	C	C	.	.			trans	-70.6	135.7	-175.6	26.5	-34.4	0	0	0	112.8	K410 L414 I447 A453	K410-P449 HydrophobicContact CB-CG 4.17Å; K410-P449 HydrophobicContact CD-CB 4.49Å; K410-P449 PolarHBondContact N-O 2.93Å; L414-P449 HydrophobicContact CD1-CB 4.11Å; L414-P449 HydrophobicContact CD1-CG 4.23Å; L414-P449 HydrophobicContact CG-CB 4.47Å; L414-P449 HydrophobicContact CG-CG 4.2Å; I447-P449 VanDerWaalsContact O-CD 3.29Å; I447-P449 WeakPolarHBondContact O-CD 3.35Å; P449-A453 VanDerWaalsContact CA-O 3.31Å; P449-A453 WeakPolarHBondContact CA-O 3.29Å
450	R	87.5	Confident	90.7	Very high	16 Å²	16	30.5 Å²	30.5	6%	0.06	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-138.1	129	177.8	-71.8	173.7	-169.3	-97.3	-0.3	110.1	D399 M406 A409 E452 A453	D399-R450 IonicContact OD1-CZ 3.89Å; D399-R450 VanDerWaalsContact OD1-CZ 3.26Å; D399-R450 IonicContact OD1-NH1 2.93Å; D399-R450 PolarHBondContact OD1-NH1 3.17Å; D399-R450 IonicContact OD1-NH2 2.84Å; D399-R450 PolarHBondContact OD1-NH2 3.26Å; M406-R450 HydrophobicContact CB-CB 3.68Å; M406-R450 HydrophobicContact CE-CB 4.42Å; M406-R450 HydrophobicContact SD-CB 4.41Å; A409-R450 HydrophobicContact CB-CG 4.19Å; R450-E452 PolarHBondContact O-N 3.49Å; R450-E452 VanDerWaalsContact O-N 3.15Å; R450-A453 PolarHBondContact N-O 3.07Å; R450-A453 WeakPolarHBondContact O-CB 3.25Å; R450-A453 PolarHBondContact O-N 2.84Å
451	G	82.6	Confident	90.3	Very high	30 Å²	30	30.9 Å²	30.9	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-120.7	-178.2	0	0	0	0	0	111.8	M406 K410	M406-G451 WeakPolarHBondContact O-CA 3.47Å; M406-G451 PolarHBondContact O-N 2.93Å; K410-G451 WeakPolarHBondContact CE-O 3.37Å; K410-G451 PolarHBondContact NZ-O 2.79Å
452	E	82.1	Confident	89.8	Confident	204 Å²	204	36.1 Å²	36.1	95%	0.953	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-11.4	175.1	-62	-172.9	160.8	0	0	113.5	R450	R450-E452 PolarHBondContact O-N 3.49Å; R450-E452 VanDerWaalsContact O-N 3.15Å
453	A	83.5	Confident	89.4	Confident	35 Å²	35	42.9 Å²	42.9	29%	0.289	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-82.6	134.4	-178.1	0	0	0	0	0	112	M406 P449 R450	M406-A453 HydrophobicContact SD-CB 4.17Å; P449-A453 VanDerWaalsContact CA-O 3.31Å; P449-A453 WeakPolarHBondContact CA-O 3.29Å; R450-A453 PolarHBondContact N-O 3.07Å; R450-A453 WeakPolarHBondContact O-CB 3.25Å; R450-A453 PolarHBondContact O-N 2.84Å
454	G	85.3	Confident	89	Confident	29 Å²	29	45 Å²	45	30%	0.299	24%	0.238	S	C	.	.	S	Bend	trans	-81	-24.4	173.8	0	0	0	0	0	113.7	S422 I447	S422-G454 PolarHBondContact OG-O 3.33Å; I447-G454 CarbonylContact C-O 3.56Å; I447-G454 VanDerWaalsContact O-O 3.12Å
455	G	89.1	Confident	88.5	Confident	8 Å²	8	46.6 Å²	46.6	8%	0.082	25%	0.247	C	C	.	.			trans	-162.9	-178.2	178.4	0	0	0	0	0	110.4	T446	T446-G455 CarbonylContact O-C 3.59Å; T446-G455 WeakPolarHBondContact O-CA 3.35Å
456	L	91.3	Very high	87.9	Confident	41 Å²	41	51.8 Å²	51.8	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	129.6	173.6	176.6	67.9	0	0	0	111.6	M406 E426 V445 T446	M406-L456 HydrophobicContact CE-CB 4Å; M406-L456 HydrophobicContact CE-CD2 3.33Å; M406-L456 HydrophobicContact CE-CG 4.2Å; M406-L456 HydrophobicContact SD-CB 3.9Å; M406-L456 HydrophobicContact SD-CD1 4.34Å; M406-L456 HydrophobicContact SD-CD2 3.83Å; M406-L456 HydrophobicContact SD-CG 4.22Å; E426-L456 PolarHBondContact OE1-N 2.83Å; E426-L456 VanDerWaalsContact OE2-C 3.26Å; V445-L456 CarbonylContact C-O 3.59Å; V445-L456 WeakPolarHBondContact CA-O 3.49Å; T446-L456 HydrophobicContact CG2-CB 4.03Å; T446-L456 PolarHBondContact N-O 3.47Å; T446-L456 PolarHBondContact O-N 3.06Å
457	T	94	Very high	87.7	Confident	11 Å²	11	60.5 Å²	60.5	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.3	159.8	-58.3	0	0	0	0	109.6	E426 H429 A430 L442 F459	E426-T457 PolarHBondContact O-OG1 3.49Å; E426-T457 PolarHBondContact OE2-N 3.3Å; E426-T457 PolarHBondContact OE2-OG1 3.47Å; H429-T457 HydrophobicContact CB-CG2 4.01Å; H429-T457 WeakPolarHBondContact CB-OG1 3.47Å; A430-T457 HydrophobicContact CB-CG2 4.12Å; L442-T457 HydrophobicContact CD1-CG2 3.51Å; T457-F459 HydrophobicContact CG2-CE1 3.74Å; T457-F459 HydrophobicContact CG2-CE2 4.4Å; T457-F459 HydrophobicContact CG2-CZ 3.56Å; T457-F459 WeakPolarHBondContact O-CE2 3.36Å
458	S	92.3	Very high	87.7	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.07	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.9	-178.5	-163.8	0	0	0	0	110.9	R401 H443 K444	R401-S458 PolarHBondContact NH1-OG 3.19Å; H443-S458 VanDerWaalsContact CB-O 3.32Å; H443-S458 WeakPolarHBondContact CB-O 3.44Å; H443-S458 PolarHBondContact N-O 3.16Å; K444-S458 PolarHBondContact N-O 3.27Å; K444-S458 PolarHBondContact O-N 2.74Å
459	F	93	Very high	88	Confident	61 Å²	61	64.8 Å²	64.8	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.8	178.5	-49.9	-74.9	0	0	0	110.6	A433 I440 P441 L442 T457 V479	A433-F459 HydrophobicContact CB-CD1 4.22Å; A433-F459 HydrophobicContact CB-CE1 3.49Å; A433-F459 VanDerWaalsContact CB-CE1 3.49Å; A433-F459 HydrophobicContact CB-CZ 4.41Å; I440-F459 HydrophobicContact CB-CB 4.09Å; I440-F459 HydrophobicContact CB-CG 4.5Å; I440-F459 HydrophobicContact CG2-CB 3.62Å; P441-F459 WeakPolarHBondContact O-CA 3.47Å; L442-F459 HydrophobicContact CD1-CE1 4.48Å; T457-F459 HydrophobicContact CG2-CE1 3.74Å; T457-F459 HydrophobicContact CG2-CE2 4.4Å; T457-F459 HydrophobicContact CG2-CZ 3.56Å; T457-F459 WeakPolarHBondContact O-CE2 3.36Å; F459-V479 HydrophobicContact CE1-CG1 4Å; F459-V479 HydrophobicContact CE2-CG1 4.12Å; F459-V479 HydrophobicContact CZ-CG1 3.4Å
460	L	91.3	Very high	88.3	Confident	22 Å²	22	70 Å²	70	12%	0.115	36%	0.364	C	S	.	.			trans	-140.9	117.4	178.6	-173.3	68.1	0	0	0	109.4	K360 H363 P441 H443	K360-L460 HydrophobicContact CG-CD2 3.69Å; H363-L460 HydrophobicContact CB-CD1 3.56Å; H363-L460 HydrophobicContact CB-CD2 4.44Å; H363-L460 HydrophobicContact CB-CG 4.02Å; H363-L460 VanDerWaalsContact O-CD1 3.32Å; H363-L460 WeakPolarHBondContact O-CD1 3.48Å; P441-L460 WeakPolarHBondContact CB-O 3.3Å; P441-L460 PolarHBondContact O-N 3.2Å; H443-L460 HydrophobicContact CB-CB 3.67Å
461	Q	86.8	Confident	88.7	Confident	42 Å²	42	71.3 Å²	71.3	20%	0.196	38%	0.378	C	S	.	.			trans	-78.4	146.9	174.2	-67.8	173.4	-2.2	0	0	110.2	H363 I440 K463	H363-Q461 WeakPolarHBondContact CB-O 3.18Å; H363-Q461 PolarHBondContact ND1-O 2.99Å; I440-Q461 HydrophobicContact CG2-CG 3.51Å; Q461-K463 VanDerWaalsContact C-N 3.27Å; Q461-K463 WeakPolarHBondContact CB-O 3.1Å; Q461-K463 PolarHBondContact OE1-O 3.38Å
462	E	84	Confident	89.4	Confident	149 Å²	149	72.2 Å²	72.2	70%	0.696	37%	0.374	S	S	*	.	S	Bend	trans	-78.5	-12.9	175	-64.2	175.8	178.8	0	0	112.8	H363	H363-E462 VanDerWaalsContact CE1-C 3.46Å; H363-E462 PolarHBondContact CE1-O 3.09Å; H363-E462 PolarHBondContact NE2-O 3.3Å
463	K	85.9	Confident	90.1	Very high	146 Å²	146	62.9 Å²	62.9	64%	0.635	33%	0.331	S	S	*	.	S	Bend	trans	-152.7	152.1	178.1	62.6	-178.3	179.7	-178.2	0	110.7	Q461 I465	Q461-K463 VanDerWaalsContact C-N 3.27Å; Q461-K463 WeakPolarHBondContact CB-O 3.1Å; Q461-K463 PolarHBondContact OE1-O 3.38Å; K463-I465 HydrophobicContact CD-CG2 4.33Å; K463-I465 HydrophobicContact CG-CG2 3.81Å; K463-I465 PolarHBondContact O-N 2.76Å
464	D	84.9	Confident	90.8	Very high	59 Å²	59	62.6 Å²	62.6	32%	0.316	32%	0.324	S	S	.	.			trans	-67.6	113.3	170.5	-69	14	0	0	0	108.1	R339 V366	R339-D464 IonicContact CZ-OD1 3.73Å; R339-D464 IonicContact CZ-OD2 3.81Å; R339-D464 VanDerWaalsContact CZ-OD2 3.3Å; R339-D464 IonicContact NH1-OD2 3.59Å; R339-D464 PolarHBondContact NH1-OD2 2.92Å; R339-D464 IonicContact NH2-OD1 2.8Å; R339-D464 PolarHBondContact NH2-OD1 3.22Å; R339-D464 IonicContact NH2-OD2 3.03Å; R339-D464 PolarHBondContact NH2-OD2 3.41Å; V366-D464 WeakPolarHBondContact CG2-OD1 3.43Å
465	I	84.8	Confident	91.4	Very high	49 Å²	49	61.3 Å²	61.3	25%	0.251	31%	0.311	S	S	.	.			trans	-103	125	175.3	64.6	-176.8	0	0	0	110.5	K463 M468	K463-I465 HydrophobicContact CD-CG2 4.33Å; K463-I465 HydrophobicContact CG-CG2 3.81Å; K463-I465 PolarHBondContact O-N 2.76Å; I465-M468 HydrophobicContact CD1-CE 3.96Å; I465-M468 HydrophobicContact CD1-CG 3.91Å; I465-M468 HydrophobicContact CG1-CE 4.37Å; I465-M468 HydrophobicContact CG1-CG 4.5Å
466	S	82.1	Confident	91.8	Very high	109 Å²	109	63.1 Å²	63.1	76%	0.762	32%	0.317	S	S	*	.	S	Bend	trans	-84.2	-25.1	174	-50.3	0	0	0	0	112.7
467	F	90.3	Very high	92.1	Very high	185 Å²	185	61.1 Å²	61.1	81%	0.811	31%	0.307	S	S	*	.			trans	-127.7	138.5	-176.1	-52.6	-70.9	0	0	0	110
468	M	92.2	Very high	92.3	Very high	69 Å²	69	61.2 Å²	61.2	34%	0.34	31%	0.307	S	S	.	.			trans	-113.1	138.7	175.4	-70.7	177.5	173.8	0	0	110.5	I465 Q472 L473 Q476	I465-M468 HydrophobicContact CD1-CE 3.96Å; I465-M468 HydrophobicContact CD1-CG 3.91Å; I465-M468 HydrophobicContact CG1-CE 4.37Å; I465-M468 HydrophobicContact CG1-CG 4.5Å; M468-Q472 VanDerWaalsContact CA-OE1 3.28Å; M468-Q472 HydrophobicContact CB-CB 4.44Å; M468-L473 HydrophobicContact CB-CD2 4.06Å; M468-L473 HydrophobicContact CB-CG 4.15Å; M468-L473 HydrophobicContact SD-CD2 3.92Å; M468-Q476 PolarHBondContact SD-NE2 2.98Å
469	T	95.3	Very high	92.6	Very high	75 Å²	75	61.2 Å²	61.2	46%	0.46	31%	0.306	S	S	.	.			trans	-76.8	160.3	174.2	72.1	0	0	0	0	110.7	A471 Q472 L473	T469-A471 PolarHBondContact O-N 2.84Å; T469-A471 PolarHBondContact OG1-N 2.83Å; T469-Q472 PolarHBondContact O-N 2.82Å; T469-Q472 VanDerWaalsContact O-N 3.14Å; T469-Q472 WeakPolarHBondContact OG1-CG 3.46Å; T469-Q472 PolarHBondContact OG1-N 3.37Å; T469-L473 WeakPolarHBondContact O-CG 3.3Å; T469-L473 PolarHBondContact O-N 2.89Å; T469-L473 VanDerWaalsContact O-N 3.11Å
470	R	95.9	Very high	92.8	Very high	121 Å²	121	59.5 Å²	59.5	46%	0.457	30%	0.3	S	S	.	.	H	α-helix	trans	-55.1	-37.9	172.4	-175	174.9	176.9	-97.1	-0.3	111.8	L473 L474 M514 F520	R470-L473 PolarHBondContact O-N 2.84Å; R470-L474 HydrophobicContact CG-CD1 4.2Å; R470-L474 HydrophobicContact CG-CG 4.46Å; R470-L474 VanDerWaalsContact O-CG 3.29Å; R470-L474 WeakPolarHBondContact O-CG 3.48Å; R470-L474 PolarHBondContact O-N 2.87Å; R470-M514 HydrophobicContact CG-CE 4.36Å; R470-F520 HydrophobicContact CB-CD1 3.95Å; R470-F520 HydrophobicContact CB-CE1 3.83Å; R470-F520 HydrophobicContact CB-CG 4.44Å; R470-F520 HydrophobicContact CB-CZ 4.21Å; R470-F520 HydrophobicContact CG-CD1 4.05Å; R470-F520 HydrophobicContact CG-CE1 4.43Å; R470-F520 HydrophobicContact CG-CG 4.19Å
471	A	96.6	Very high	93.1	Very high	43 Å²	43	58.6 Å²	58.6	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-44.4	177.9	0	0	0	0	0	111.9	D438 T469 L473 L474 A475	D438-A471 HydrophobicContact CB-CB 4.27Å; D438-A471 WeakPolarHBondContact OD2-CB 3.43Å; T469-A471 PolarHBondContact O-N 2.84Å; T469-A471 PolarHBondContact OG1-N 2.83Å; A471-L473 VanDerWaalsContact C-N 3.33Å; A471-L473 PolarHBondContact O-N 3.48Å; A471-L474 PolarHBondContact O-N 3.11Å; A471-A475 WeakPolarHBondContact O-CB 3.39Å; A471-A475 PolarHBondContact O-N 3.47Å
472	Q	96.1	Very high	93.7	Very high	48 Å²	48	56.6 Å²	56.6	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-37	176.5	-69.8	174.2	-41.1	0	0	112.8	D438 M468 T469 A475 Q476	D438-Q472 HydrophobicContact CB-CG 3.9Å; D438-Q472 WeakPolarHBondContact O-CG 3.35Å; M468-Q472 VanDerWaalsContact CA-OE1 3.28Å; M468-Q472 HydrophobicContact CB-CB 4.44Å; T469-Q472 PolarHBondContact O-N 2.82Å; T469-Q472 VanDerWaalsContact O-N 3.14Å; T469-Q472 WeakPolarHBondContact OG1-CG 3.46Å; T469-Q472 PolarHBondContact OG1-N 3.37Å; Q472-A475 PolarHBondContact O-N 3.49Å; Q472-Q476 WeakPolarHBondContact O-CG 3.28Å; Q472-Q476 PolarHBondContact O-N 3.32Å
473	L	97.2	Very high	94.2	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-70.6	-39.6	176.7	-62.8	167.3	0	0	0	111.6	M468 T469 R470 A471 A475 Q476 L477 L510 M514 F518 F520	M468-L473 HydrophobicContact CB-CD2 4.06Å; M468-L473 HydrophobicContact CB-CG 4.15Å; M468-L473 HydrophobicContact SD-CD2 3.92Å; T469-L473 WeakPolarHBondContact O-CG 3.3Å; T469-L473 PolarHBondContact O-N 2.89Å; T469-L473 VanDerWaalsContact O-N 3.11Å; R470-L473 PolarHBondContact O-N 2.84Å; A471-L473 VanDerWaalsContact C-N 3.33Å; A471-L473 PolarHBondContact O-N 3.48Å; L473-A475 VanDerWaalsContact C-N 3.33Å; L473-Q476 PolarHBondContact O-N 3.14Å; L473-L477 PolarHBondContact O-N 2.92Å; L473-L510 HydrophobicContact CD2-CD1 3.8Å; L473-M514 HydrophobicContact CB-CE 4Å; L473-M514 HydrophobicContact CB-CG 4.42Å; L473-M514 HydrophobicContact CB-SD 3.88Å; L473-M514 HydrophobicContact CD1-CG 4.25Å; L473-F518 HydrophobicContact CD1-CD2 4.09Å; L473-F518 HydrophobicContact CD1-CE2 4.37Å; L473-F520 HydrophobicContact CD1-CD2 3.95Å; L473-F520 HydrophobicContact CD1-CE2 3.25Å; L473-F520 HydrophobicContact CD1-CZ 4.06Å
474	L	98	Very high	94.8	Very high	29 Å²	29	44.2 Å²	44.2	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-39.5	172.3	-69.9	172.9	0	0	0	111.5	R470 A471 Q476 L477 D478 M514 L552	R470-L474 HydrophobicContact CG-CD1 4.2Å; R470-L474 HydrophobicContact CG-CG 4.46Å; R470-L474 VanDerWaalsContact O-CG 3.29Å; R470-L474 WeakPolarHBondContact O-CG 3.48Å; R470-L474 PolarHBondContact O-N 2.87Å; A471-L474 PolarHBondContact O-N 3.11Å; L474-Q476 VanDerWaalsContact C-N 3.32Å; L474-Q476 PolarHBondContact O-N 3.14Å; L474-L477 HydrophobicContact CD2-CD1 4.36Å; L474-L477 WeakPolarHBondContact O-CB 3.43Å; L474-L477 PolarHBondContact O-N 3.38Å; L474-D478 VanDerWaalsContact O-CG 3.31Å; L474-D478 PolarHBondContact O-N 3.23Å; L474-M514 HydrophobicContact CD2-CE 3.92Å; L474-M514 HydrophobicContact CG-CE 4.15Å; L474-L552 HydrophobicContact CD2-CD2 3.97Å
475	A	97.7	Very high	95.4	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-38.4	174.9	0	0	0	0	0	111.9	T436 A471 Q472 L473 D478 V479	T436-A475 HydrophobicContact CG2-CB 3.66Å; A471-A475 WeakPolarHBondContact O-CB 3.39Å; A471-A475 PolarHBondContact O-N 3.47Å; Q472-A475 PolarHBondContact O-N 3.49Å; L473-A475 VanDerWaalsContact C-N 3.33Å; A475-D478 PolarHBondContact O-N 2.89Å; A475-V479 WeakPolarHBondContact O-CG2 3.39Å; A475-V479 PolarHBondContact O-N 3.45Å
476	Q	97.4	Very high	95.9	Very high	46 Å²	46	39.1 Å²	39.1	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-41.2	173.2	-77.1	176.2	52.8	0	0	112.7	I440 M468 Q472 L473 L474 D478 V479 L480 L510	I440-Q476 HydrophobicContact CD1-CG 4.26Å; M468-Q476 PolarHBondContact SD-NE2 2.98Å; Q472-Q476 WeakPolarHBondContact O-CG 3.28Å; Q472-Q476 PolarHBondContact O-N 3.32Å; L473-Q476 PolarHBondContact O-N 3.14Å; L474-Q476 VanDerWaalsContact C-N 3.32Å; L474-Q476 PolarHBondContact O-N 3.14Å; Q476-D478 VanDerWaalsContact C-N 3.3Å; Q476-D478 PolarHBondContact O-N 2.65Å; Q476-V479 PolarHBondContact O-N 3.31Å; Q476-L480 VanDerWaalsContact O-CG 3.28Å; Q476-L480 WeakPolarHBondContact O-CG 3.36Å; Q476-L480 PolarHBondContact O-N 2.86Å; Q476-L510 HydrophobicContact CB-CD2 3.78Å
477	L	98.2	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-45.7	171.9	-71.2	176.1	0	0	0	110.7	L473 L474 V479 L480 M481 A507 L510 A511 M514 L552 L553 S556	L473-L477 PolarHBondContact O-N 2.92Å; L474-L477 HydrophobicContact CD2-CD1 4.36Å; L474-L477 WeakPolarHBondContact O-CB 3.43Å; L474-L477 PolarHBondContact O-N 3.38Å; L477-V479 VanDerWaalsContact C-N 3.35Å; L477-V479 PolarHBondContact O-N 2.93Å; L477-L480 PolarHBondContact O-N 3.32Å; L477-L480 VanDerWaalsContact O-N 3.14Å; L477-M481 WeakPolarHBondContact O-CG 3.39Å; L477-M481 PolarHBondContact O-N 2.71Å; L477-M481 VanDerWaalsContact O-N 3.07Å; L477-A507 HydrophobicContact CD2-CB 3.91Å; L477-A507 WeakPolarHBondContact CD2-O 3.44Å; L477-L510 HydrophobicContact CD2-CB 4.1Å; L477-L510 HydrophobicContact CD2-CD2 3.87Å; L477-L510 HydrophobicContact CD2-CG 4.15Å; L477-L510 HydrophobicContact CG-CD2 3.96Å; L477-L510 HydrophobicContact CG-CG 4.43Å; L477-A511 HydrophobicContact CD2-CB 4.44Å; L477-M514 HydrophobicContact CD1-SD 3.88Å; L477-L552 HydrophobicContact CD1-CB 4.37Å; L477-L553 HydrophobicContact CD2-CD2 4.18Å; L477-S556 PolarHBondContact O-OG 3.17Å
478	D	98.4	Very high	96.9	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.07	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-44.9	179.4	-68.3	-3.6	0	0	0	111.2	V432 T436 L474 A475 Q476 L480 M481 G482 S556 R559 V560	V432-D478 HydrophobicContact CG1-CB 4.14Å; V432-D478 WeakPolarHBondContact CG1-O 3.3Å; T436-D478 HydrophobicContact CG2-CB 4.39Å; L474-D478 VanDerWaalsContact O-CG 3.31Å; L474-D478 PolarHBondContact O-N 3.23Å; A475-D478 PolarHBondContact O-N 2.89Å; Q476-D478 VanDerWaalsContact C-N 3.3Å; Q476-D478 PolarHBondContact O-N 2.65Å; D478-L480 VanDerWaalsContact C-N 3.34Å; D478-L480 PolarHBondContact O-N 3.29Å; D478-M481 PolarHBondContact O-N 3.22Å; D478-M481 VanDerWaalsContact O-N 3.17Å; D478-G482 PolarHBondContact O-N 3.37Å; D478-S556 VanDerWaalsContact CA-OG 3.25Å; D478-S556 WeakPolarHBondContact CA-OG 3.34Å; D478-S556 PolarHBondContact N-OG 3.07Å; D478-S556 VanDerWaalsContact N-OG 3.15Å; D478-S556 VanDerWaalsContact OD1-CA 3.3Å; D478-S556 WeakPolarHBondContact OD1-CA 3.39Å; D478-S556 VanDerWaalsContact OD1-CB 3.25Å; D478-S556 WeakPolarHBondContact OD1-CB 3.38Å; D478-S556 PolarHBondContact OD1-OG 3.42Å; D478-R559 IonicContact OD1-CZ 3.09Å; D478-R559 IonicContact OD1-NE 3.3Å; D478-R559 PolarHBondContact OD1-NE 2.91Å; D478-R559 IonicContact OD1-NH2 3.04Å; D478-R559 PolarHBondContact OD1-NH2 3.29Å; D478-R559 IonicContact OD2-CZ 3.71Å; D478-R559 IonicContact OD2-NE 3.49Å; D478-R559 PolarHBondContact OD2-NE 2.96Å; D478-R559 IonicContact OD2-NH2 2.85Å; D478-V560 HydrophobicContact CB-CG2 3.63Å; D478-V560 VanDerWaalsContact O-CG2 3.23Å; D478-V560 WeakPolarHBondContact O-CG2 3.5Å
479	V	98.1	Very high	97	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.055	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-44.6	174.9	171.8	0	0	0	0	111.3	H429 V432 A433 S439 F459 A475 Q476 L477 M481 G482	H429-V479 PolarHBondContact CE1-O 2.82Å; H429-V479 PolarHBondContact ND1-O 2.92Å; V432-V479 HydrophobicContact CG1-CG2 4.14Å; A433-V479 HydrophobicContact CB-CG1 4.45Å; A433-V479 HydrophobicContact CB-CG2 3.81Å; S439-V479 WeakPolarHBondContact OG-CG2 3.42Å; F459-V479 HydrophobicContact CE1-CG1 4Å; F459-V479 HydrophobicContact CE2-CG1 4.12Å; F459-V479 HydrophobicContact CZ-CG1 3.4Å; A475-V479 WeakPolarHBondContact O-CG2 3.39Å; A475-V479 PolarHBondContact O-N 3.45Å; Q476-V479 PolarHBondContact O-N 3.31Å; L477-V479 VanDerWaalsContact C-N 3.35Å; L477-V479 PolarHBondContact O-N 2.93Å; V479-M481 PolarHBondContact O-N 3.17Å; V479-G482 PolarHBondContact O-N 3.3Å
480	L	98.2	Very high	96.9	Very high	26 Å²	26	26.8 Å²	26.8	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-28.4	178.8	-69.7	165.2	0	0	0	112.8	H429 Q476 L477 D478 G482 D503 K506 A507 L510	H429-L480 PolarHBondContact CE1-O 2.7Å; Q476-L480 VanDerWaalsContact O-CG 3.28Å; Q476-L480 WeakPolarHBondContact O-CG 3.36Å; Q476-L480 PolarHBondContact O-N 2.86Å; L477-L480 PolarHBondContact O-N 3.32Å; L477-L480 VanDerWaalsContact O-N 3.14Å; D478-L480 VanDerWaalsContact C-N 3.34Å; D478-L480 PolarHBondContact O-N 3.29Å; L480-G482 VanDerWaalsContact C-N 3.32Å; L480-D503 HydrophobicContact CB-CB 4.43Å; L480-D503 HydrophobicContact CD2-CB 4.18Å; L480-D503 WeakPolarHBondContact O-CB 3.28Å; L480-K506 HydrophobicContact CD1-CB 3.98Å; L480-K506 HydrophobicContact CD2-CB 3.89Å; L480-K506 HydrophobicContact CD2-CD 3.94Å; L480-A507 HydrophobicContact CB-CB 4.11Å; L480-A507 HydrophobicContact CD1-CB 3.92Å; L480-L510 HydrophobicContact CD1-CD2 4.5Å
481	M	97.9	Very high	96.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-79.3	-14.3	174.5	-61.7	-52.6	175.9	0	0	113.7	L477 D478 V479 G483 V485 F504 A507 L553 S556 L557 V560	L477-M481 WeakPolarHBondContact O-CG 3.39Å; L477-M481 PolarHBondContact O-N 2.71Å; L477-M481 VanDerWaalsContact O-N 3.07Å; D478-M481 PolarHBondContact O-N 3.22Å; D478-M481 VanDerWaalsContact O-N 3.17Å; V479-M481 PolarHBondContact O-N 3.17Å; M481-G483 PolarHBondContact O-N 3.49Å; M481-V485 WeakPolarHBondContact O-CG2 3.37Å; M481-V485 PolarHBondContact O-N 3.37Å; M481-V485 VanDerWaalsContact O-N 3.16Å; M481-F504 HydrophobicContact SD-CD1 4.13Å; M481-F504 HydrophobicContact SD-CE1 3.81Å; M481-A507 HydrophobicContact CE-CB 4.01Å; M481-L553 HydrophobicContact CE-CB 4.06Å; M481-L553 HydrophobicContact CE-CD2 3.58Å; M481-L553 HydrophobicContact CE-CG 4.42Å; M481-S556 WeakPolarHBondContact CG-OG 3.43Å; M481-L557 HydrophobicContact CB-CD2 3.95Å; M481-L557 HydrophobicContact CB-CG 4.47Å; M481-L557 HydrophobicContact CE-CG 4.2Å; M481-L557 HydrophobicContact CG-CD2 3.9Å; M481-L557 HydrophobicContact CG-CG 3.95Å; M481-L557 HydrophobicContact SD-CD1 4.38Å; M481-L557 HydrophobicContact SD-CD2 3.55Å; M481-L557 VanDerWaalsContact SD-CD2 3.55Å; M481-L557 HydrophobicContact SD-CG 3.65Å; M481-V560 HydrophobicContact CB-CB 4.27Å; M481-V560 HydrophobicContact CB-CG1 4.34Å; M481-V560 HydrophobicContact CB-CG2 4.1Å
482	G	97.4	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-43.2	-174	0	0	0	0	0	114.1	G428 D478 V479 L480 G486	G428-G482 WeakPolarHBondContact CA-O 3.42Å; D478-G482 PolarHBondContact O-N 3.37Å; V479-G482 PolarHBondContact O-N 3.3Å; L480-G482 VanDerWaalsContact C-N 3.32Å; G482-G486 PolarHBondContact O-N 3.21Å
483	G	96.5	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-54.8	-179.6	0	0	0	0	0	113	H425 H429 M481 V485 G486 E487	H425-G483 WeakPolarHBondContact O-CA 3.45Å; H429-G483 PolarHBondContact CE1-N 2.83Å; H429-G483 VanDerWaalsContact CE1-N 3.33Å; H429-G483 WeakPolarHBondContact NE2-CA 3.31Å; H429-G483 PolarHBondContact NE2-N 2.91Å; M481-G483 PolarHBondContact O-N 3.49Å; G483-V485 PolarHBondContact O-N 2.91Å; G483-G486 PolarHBondContact O-N 3.41Å; G483-E487 PolarHBondContact O-N 2.9Å
484	R	97.1	Very high	96.4	Very high	36 Å²	36	31.2 Å²	31.2	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-56.4	-49.2	177.7	170.7	62.1	73.8	-134.4	10.4	111.9	G486 E487 E488 T497 A500 F504	R484-G486 VanDerWaalsContact C-N 3.34Å; R484-E487 IonicContact NH1-OE2 3.26Å; R484-E487 PolarHBondContact NH1-OE2 3.39Å; R484-E487 PolarHBondContact O-N 3.44Å; R484-E488 WeakPolarHBondContact O-CB 3.47Å; R484-E488 PolarHBondContact O-N 2.69Å; R484-T497 PolarHBondContact NH1-O 2.84Å; R484-T497 PolarHBondContact NH2-O 3.48Å; R484-A500 HydrophobicContact CB-CB 4.01Å; R484-F504 HydrophobicContact CB-CZ 3.91Å; R484-F504 HydrophobicContact CG-CZ 3.86Å
485	V	97.4	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-39	-176.4	172.7	0	0	0	0	110.9	M481 G483 E487 E488 L489 L557 V560 R561 L564	M481-V485 WeakPolarHBondContact O-CG2 3.37Å; M481-V485 PolarHBondContact O-N 3.37Å; M481-V485 VanDerWaalsContact O-N 3.16Å; G483-V485 PolarHBondContact O-N 2.91Å; V485-E487 VanDerWaalsContact C-N 3.34Å; V485-E487 PolarHBondContact O-N 3.08Å; V485-E488 PolarHBondContact O-N 2.71Å; V485-L489 HydrophobicContact CG1-CD1 3.93Å; V485-L489 HydrophobicContact CG1-CG 4.21Å; V485-L489 VanDerWaalsContact O-CG 3.31Å; V485-L489 WeakPolarHBondContact O-CG 3.46Å; V485-L489 PolarHBondContact O-N 2.8Å; V485-L557 HydrophobicContact CG2-CD2 3.99Å; V485-V560 HydrophobicContact CB-CG1 3.88Å; V485-V560 HydrophobicContact CG1-CG1 4.09Å; V485-V560 HydrophobicContact CG2-CB 4.4Å; V485-V560 HydrophobicContact CG2-CG1 3.9Å; V485-R561 HydrophobicContact CB-CG 4.45Å; V485-R561 HydrophobicContact CG1-CB 4.31Å; V485-R561 HydrophobicContact CG1-CG 3.71Å; V485-R561 HydrophobicContact CG2-CG 3.85Å; V485-L564 HydrophobicContact CB-CD1 4.06Å; V485-L564 HydrophobicContact CG1-CB 4.21Å; V485-L564 HydrophobicContact CG1-CD1 3.8Å
486	G	96	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-44.4	174.7	0	0	0	0	0	112.4	G482 G483 R484 H571	G482-G486 PolarHBondContact O-N 3.21Å; G483-G486 PolarHBondContact O-N 3.41Å; R484-G486 VanDerWaalsContact C-N 3.34Å; G486-H571 VanDerWaalsContact CA-CE1 3.48Å; G486-H571 WeakPolarHBondContact CA-CE1 3.44Å; G486-H571 PolarHBondContact O-CE1 3.22Å; G486-H571 VanDerWaalsContact O-CE1 3.28Å
487	E	96	Very high	95.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-49.8	173.5	-71.4	178.7	-155.9	0	0	112.1	V421 H425 G483 R484 V485 L489 V490 F491 T497	V421-E487 HydrophobicContact CG1-CG 4.12Å; H425-E487 HydrophobicContact CB-CG 4.12Å; H425-E487 IonicContact CE1-OE1 2.68Å; H425-E487 IonicContact CG-OE1 3.26Å; H425-E487 IonicContact ND1-OE1 2.94Å; H425-E487 PolarHBondContact ND1-OE1 3.11Å; G483-E487 PolarHBondContact O-N 2.9Å; R484-E487 IonicContact NH1-OE2 3.26Å; R484-E487 PolarHBondContact NH1-OE2 3.39Å; R484-E487 PolarHBondContact O-N 3.44Å; V485-E487 VanDerWaalsContact C-N 3.34Å; V485-E487 PolarHBondContact O-N 3.08Å; E487-L489 VanDerWaalsContact C-N 3.32Å; E487-L489 PolarHBondContact O-N 3.43Å; E487-V490 PolarHBondContact O-N 3.33Å; E487-F491 HydrophobicContact CB-CD2 4.18Å; E487-F491 WeakPolarHBondContact O-CD2 3.14Å; E487-F491 PolarHBondContact O-N 2.83Å; E487-T497 PolarHBondContact OE1-OG1 2.93Å; E487-T497 PolarHBondContact OE2-N 3.49Å; E487-T497 PolarHBondContact OE2-OG1 3.4Å; E487-T497 VanDerWaalsContact OE2-OG1 3.13Å
488	E	96.4	Very high	95.4	Very high	53 Å²	53	45.6 Å²	45.6	25%	0.248	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-42.5	-175.3	-170.9	-175.2	162.8	0	0	111.7	R484 V485 V490 G492 V496 R561	R484-E488 WeakPolarHBondContact O-CB 3.47Å; R484-E488 PolarHBondContact O-N 2.69Å; V485-E488 PolarHBondContact O-N 2.71Å; E488-V490 VanDerWaalsContact C-N 3.28Å; E488-V490 PolarHBondContact O-N 3.38Å; E488-G492 WeakPolarHBondContact O-CA 3.3Å; E488-G492 PolarHBondContact O-N 3.31Å; E488-V496 HydrophobicContact CB-CG1 3.9Å; E488-V496 HydrophobicContact CG-CG1 4.27Å; E488-R561 IonicContact OE1-CZ 3.99Å; E488-R561 IonicContact OE1-NE 2.85Å; E488-R561 IonicContact OE1-NH2 2.84Å; E488-R561 PolarHBondContact OE1-NH2 3.37Å; E488-R561 IonicContact OE2-CZ 3.54Å; E488-R561 IonicContact OE2-NE 3.9Å; E488-R561 PolarHBondContact OE2-NE 3.22Å; E488-R561 IonicContact OE2-NH2 2.82Å; E488-R561 PolarHBondContact OE2-NH2 3.03Å
489	L	94.7	Very high	95	Very high	70 Å²	70	47 Å²	47	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-26.5	-178.9	-71.7	175.6	0	0	0	113.8	V485 E487 L564 S565	V485-L489 HydrophobicContact CG1-CD1 3.93Å; V485-L489 HydrophobicContact CG1-CG 4.21Å; V485-L489 VanDerWaalsContact O-CG 3.31Å; V485-L489 WeakPolarHBondContact O-CG 3.46Å; V485-L489 PolarHBondContact O-N 2.8Å; E487-L489 VanDerWaalsContact C-N 3.32Å; E487-L489 PolarHBondContact O-N 3.43Å; L489-L564 HydrophobicContact CD1-CB 3.56Å; L489-S565 WeakPolarHBondContact CD2-OG 3.46Å
490	V	94.6	Very high	94.8	Very high	55 Å²	55	46.7 Å²	46.7	33%	0.333	27%	0.268	S	S	.	.	H	α-helix	trans	-103.1	-40.9	-173.6	176.7	0	0	0	0	112	F424 E487 E488	F424-V490 HydrophobicContact CD1-CB 4.11Å; F424-V490 HydrophobicContact CD1-CG1 3.96Å; F424-V490 HydrophobicContact CD1-CG2 3.62Å; F424-V490 HydrophobicContact CD2-CG1 4.44Å; F424-V490 HydrophobicContact CE1-CB 4.3Å; F424-V490 HydrophobicContact CE1-CG1 3.77Å; F424-V490 HydrophobicContact CE1-CG2 3.76Å; F424-V490 HydrophobicContact CE2-CG1 4.32Å; F424-V490 HydrophobicContact CG-CG1 4.28Å; F424-V490 HydrophobicContact CG-CG2 4.47Å; F424-V490 HydrophobicContact CZ-CG1 3.99Å; E487-V490 PolarHBondContact O-N 3.33Å; E488-V490 VanDerWaalsContact C-N 3.28Å; E488-V490 PolarHBondContact O-N 3.38Å
491	F	94.5	Very high	94.6	Very high	47 Å²	47	48.3 Å²	48.3	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-99.9	-16	-176.2	-53.8	-66.4	0	0	0	113.2	R420 V421 F424 E487 K495	R420-F491 HydrophobicContact CG-CE1 4.35Å; R420-F491 HydrophobicContact CG-CZ 4.14Å; V421-F491 HydrophobicContact CB-CE2 4.38Å; V421-F491 HydrophobicContact CG1-CE2 4.46Å; V421-F491 HydrophobicContact CG2-CE2 4Å; V421-F491 HydrophobicContact CG2-CZ 4.01Å; F424-F491 HydrophobicContact CB-CE2 3.87Å; F424-F491 HydrophobicContact CB-CZ 4.19Å; F424-F491 HydrophobicContact CD2-CE2 4.22Å; F424-F491 AromaticContact CD2-CZ 3.65Å; F424-F491 HydrophobicContact CD2-CZ 3.65Å; F424-F491 HydrophobicContact CE2-CZ 4.38Å; F424-F491 HydrophobicContact CG-CE2 4.22Å; F424-F491 HydrophobicContact CG-CZ 4.1Å; E487-F491 HydrophobicContact CB-CD2 4.18Å; E487-F491 WeakPolarHBondContact O-CD2 3.14Å; E487-F491 PolarHBondContact O-N 2.83Å; F491-K495 HydrophobicContact CB-CB 3.69Å; F491-K495 HydrophobicContact CB-CD 4.47Å
492	G	93.8	Very high	94.4	Very high	32 Å²	32	51.4 Å²	51.4	33%	0.33	30%	0.301	S	S	.	.			trans	85.5	164.2	-173.5	0	0	0	0	0	112.9	E488 D494 K495	E488-G492 WeakPolarHBondContact O-CA 3.3Å; E488-G492 PolarHBondContact O-N 3.31Å; G492-D494 VanDerWaalsContact C-N 3.28Å; G492-D494 PolarHBondContact O-N 2.91Å; G492-K495 PolarHBondContact O-N 3.41Å; G492-K495 VanDerWaalsContact O-N 3.16Å
493	A	92.5	Very high	94.4	Very high	65 Å²	65	52.2 Å²	52.2	54%	0.537	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58.9	-34.9	-175.3	0	0	0	0	0	113.7	K495 V496	A493-K495 VanDerWaalsContact C-N 3.26Å; A493-K495 PolarHBondContact O-N 3.3Å; A493-V496 WeakPolarHBondContact O-CG2 3.44Å
494	D	93.9	Very high	94.4	Very high	170 Å²	170	55.4 Å²	55.4	91%	0.909	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-76.2	-11.6	-177.4	-61.9	-34.1	0	0	0	113.9	G492	G492-D494 VanDerWaalsContact C-N 3.28Å; G492-D494 PolarHBondContact O-N 2.91Å
495	K	92.9	Very high	94.4	Very high	144 Å²	144	60.1 Å²	60.1	63%	0.626	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-114.9	9.5	-175.2	-65.4	-171.1	-178.2	177.3	0	113.7	F491 G492 A493	F491-K495 HydrophobicContact CB-CB 3.69Å; F491-K495 HydrophobicContact CB-CD 4.47Å; G492-K495 PolarHBondContact O-N 3.41Å; G492-K495 VanDerWaalsContact O-N 3.16Å; A493-K495 VanDerWaalsContact C-N 3.26Å; A493-K495 PolarHBondContact O-N 3.3Å
496	V	93.5	Very high	94.4	Very high	47 Å²	47	64.3 Å²	64.3	29%	0.285	36%	0.356	S	S	.	.			trans	-67.9	140.9	173	-56.1	0	0	0	0	109.9	E488 A493	E488-V496 HydrophobicContact CB-CG1 3.9Å; E488-V496 HydrophobicContact CG-CG1 4.27Å; A493-V496 WeakPolarHBondContact O-CG2 3.44Å
497	T	92.8	Very high	94.5	Very high	44 Å²	44	64.3 Å²	64.3	27%	0.27	36%	0.356	S	S	.	.			trans	-96.9	175.1	-173.3	68.1	0	0	0	0	113	V421 R484 E487 G499	V421-T497 HydrophobicContact CG1-CG2 3.66Å; V421-T497 HydrophobicContact CG2-CG2 4.41Å; R484-T497 PolarHBondContact NH1-O 2.84Å; R484-T497 PolarHBondContact NH2-O 3.48Å; E487-T497 PolarHBondContact OE1-OG1 2.93Å; E487-T497 PolarHBondContact OE2-N 3.49Å; E487-T497 PolarHBondContact OE2-OG1 3.4Å; E487-T497 VanDerWaalsContact OE2-OG1 3.13Å; T497-G499 PolarHBondContact O-N 3.23Å; T497-G499 PolarHBondContact OG1-N 3.19Å
498	N	91.8	Very high	94.6	Very high	144 Å²	144	66.6 Å²	66.6	77%	0.77	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-78.4	3.5	169.5	64.2	-24.5	0	0	0	113.7	A500 A501	N498-A500 VanDerWaalsContact C-N 3.27Å; N498-A500 PolarHBondContact O-N 3.48Å; N498-A501 VanDerWaalsContact O-CB 3.29Å; N498-A501 WeakPolarHBondContact O-CB 3.26Å; N498-A501 PolarHBondContact O-N 2.92Å; N498-A501 VanDerWaalsContact O-N 3.16Å
499	G	89.3	Confident	94.6	Very high	43 Å²	43	67.5 Å²	67.5	44%	0.443	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-59.2	-33.5	-178.8	0	0	0	0	0	114.2	T497 A501	T497-G499 PolarHBondContact O-N 3.23Å; T497-G499 PolarHBondContact OG1-N 3.19Å; G499-A501 PolarHBondContact O-N 3.44Å; G499-A501 VanDerWaalsContact O-N 3.15Å
500	A	93.6	Very high	94.8	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-75	4.2	179.2	0	0	0	0	0	114.9	R484 N498 D502 D503 F504	R484-A500 HydrophobicContact CB-CB 4.01Å; N498-A500 VanDerWaalsContact C-N 3.27Å; N498-A500 PolarHBondContact O-N 3.48Å; A500-D502 VanDerWaalsContact C-N 3.35Å; A500-D502 PolarHBondContact O-N 2.95Å; A500-D503 WeakPolarHBondContact CA-OD2 3.4Å; A500-D503 PolarHBondContact O-N 2.74Å; A500-F504 HydrophobicContact CB-CD2 4.14Å; A500-F504 HydrophobicContact CB-CE2 3.82Å; A500-F504 HydrophobicContact CB-CZ 4.36Å; A500-F504 WeakPolarHBondContact O-CD2 3.29Å; A500-F504 WeakPolarHBondContact O-CG 3.35Å; A500-F504 PolarHBondContact O-N 2.84Å
501	A	94.6	Very high	94.9	Very high	61 Å²	61	62.8 Å²	62.8	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-41.9	-176.6	0	0	0	0	0	112.7	N498 G499 R505	N498-A501 VanDerWaalsContact O-CB 3.29Å; N498-A501 WeakPolarHBondContact O-CB 3.26Å; N498-A501 PolarHBondContact O-N 2.92Å; N498-A501 VanDerWaalsContact O-N 3.16Å; G499-A501 PolarHBondContact O-N 3.44Å; G499-A501 VanDerWaalsContact O-N 3.15Å; A501-R505 WeakPolarHBondContact O-CB 3.34Å; A501-R505 PolarHBondContact O-N 2.94Å
502	D	93.6	Very high	95	Very high	66 Å²	66	63.9 Å²	63.9	35%	0.353	36%	0.355	S	S	.	.	H	α-helix	trans	-69.6	-35.2	178.1	-168.3	49.1	0	0	0	112	A500 R505 K506	A500-D502 VanDerWaalsContact C-N 3.35Å; A500-D502 PolarHBondContact O-N 2.95Å; D502-R505 WeakPolarHBondContact O-CB 3.21Å; D502-R505 PolarHBondContact O-N 3.33Å; D502-R505 IonicContact OD1-CZ 3.67Å; D502-R505 VanDerWaalsContact OD1-CZ 3.23Å; D502-R505 IonicContact OD1-NE 3.44Å; D502-R505 PolarHBondContact OD1-NE 3.2Å; D502-R505 IonicContact OD1-NH2 3.59Å; D502-R505 PolarHBondContact OD1-NH2 2.85Å; D502-K506 WeakPolarHBondContact O-CG 3.3Å; D502-K506 PolarHBondContact O-N 3.13Å; D502-K506 WeakPolarHBondContact OD2-CE 3.32Å; D502-K506 IonicContact OD2-NZ 3.41Å; D502-K506 PolarHBondContact OD2-NZ 3.22Å
503	D	96.9	Very high	95	Very high	18 Å²	18	63.9 Å²	63.9	10%	0.096	35%	0.347	C	S	.	.	H	α-helix	trans	-66.9	-43.6	176.9	-52.8	-47.5	0	0	0	111.6	H425 H429 L480 A500 R505 K506 A507	H425-D503 IonicContact CE1-OD2 2.72Å; H425-D503 IonicContact NE2-OD2 3.36Å; H425-D503 PolarHBondContact NE2-OD2 2.97Å; H429-D503 IonicContact CE1-OD1 2.71Å; H429-D503 IonicContact CE1-OD2 2.96Å; H429-D503 IonicContact NE2-OD2 3.6Å; H429-D503 PolarHBondContact NE2-OD2 2.96Å; L480-D503 HydrophobicContact CB-CB 4.43Å; L480-D503 HydrophobicContact CD2-CB 4.18Å; L480-D503 WeakPolarHBondContact O-CB 3.28Å; A500-D503 WeakPolarHBondContact CA-OD2 3.4Å; A500-D503 PolarHBondContact O-N 2.74Å; D503-R505 VanDerWaalsContact C-N 3.34Å; D503-R505 PolarHBondContact O-N 2.83Å; D503-K506 PolarHBondContact O-N 2.75Å; D503-A507 VanDerWaalsContact O-CB 3.26Å; D503-A507 WeakPolarHBondContact O-CB 3.47Å; D503-A507 PolarHBondContact O-N 2.74Å
504	F	97.4	Very high	95.2	Very high	67 Å²	67	60.8 Å²	60.8	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-41.1	173.6	-69.6	-46	0	0	0	112	M481 R484 A500 K506 A507 T508	M481-F504 HydrophobicContact SD-CD1 4.13Å; M481-F504 HydrophobicContact SD-CE1 3.81Å; R484-F504 HydrophobicContact CB-CZ 3.91Å; R484-F504 HydrophobicContact CG-CZ 3.86Å; A500-F504 HydrophobicContact CB-CD2 4.14Å; A500-F504 HydrophobicContact CB-CE2 3.82Å; A500-F504 HydrophobicContact CB-CZ 4.36Å; A500-F504 WeakPolarHBondContact O-CD2 3.29Å; A500-F504 WeakPolarHBondContact O-CG 3.35Å; A500-F504 PolarHBondContact O-N 2.84Å; F504-K506 PolarHBondContact O-N 3.07Å; F504-A507 PolarHBondContact O-N 3Å; F504-T508 WeakPolarHBondContact O-CB 3.4Å; F504-T508 PolarHBondContact O-N 3.14Å; F504-T508 PolarHBondContact O-OG1 3.23Å
505	R	97.3	Very high	95.2	Very high	134 Å²	134	52.8 Å²	52.8	51%	0.506	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-48	175.1	-175.5	-172.8	67	85.9	-1.5	111.2	A501 D502 D503 I509	A501-R505 WeakPolarHBondContact O-CB 3.34Å; A501-R505 PolarHBondContact O-N 2.94Å; D502-R505 WeakPolarHBondContact O-CB 3.21Å; D502-R505 PolarHBondContact O-N 3.33Å; D502-R505 IonicContact OD1-CZ 3.67Å; D502-R505 VanDerWaalsContact OD1-CZ 3.23Å; D502-R505 IonicContact OD1-NE 3.44Å; D502-R505 PolarHBondContact OD1-NE 3.2Å; D502-R505 IonicContact OD1-NH2 3.59Å; D502-R505 PolarHBondContact OD1-NH2 2.85Å; D503-R505 VanDerWaalsContact C-N 3.34Å; D503-R505 PolarHBondContact O-N 2.83Å; R505-I509 HydrophobicContact CG-CD1 4.15Å; R505-I509 VanDerWaalsContact O-CG1 3.3Å; R505-I509 WeakPolarHBondContact O-CG1 3.44Å; R505-I509 PolarHBondContact O-N 3.28Å; R505-I509 VanDerWaalsContact O-N 3.07Å
506	K	97.3	Very high	95.2	Very high	89 Å²	89	46.8 Å²	46.8	39%	0.387	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.3	-72	169.6	-173	154.6	0	111.8	L480 D502 D503 F504 I509 L510	L480-K506 HydrophobicContact CD1-CB 3.98Å; L480-K506 HydrophobicContact CD2-CB 3.89Å; L480-K506 HydrophobicContact CD2-CD 3.94Å; D502-K506 WeakPolarHBondContact O-CG 3.3Å; D502-K506 PolarHBondContact O-N 3.13Å; D502-K506 WeakPolarHBondContact OD2-CE 3.32Å; D502-K506 IonicContact OD2-NZ 3.41Å; D502-K506 PolarHBondContact OD2-NZ 3.22Å; D503-K506 PolarHBondContact O-N 2.75Å; F504-K506 PolarHBondContact O-N 3.07Å; K506-I509 PolarHBondContact O-N 2.87Å; K506-L510 VanDerWaalsContact O-CB 3.31Å; K506-L510 WeakPolarHBondContact O-CB 3.29Å; K506-L510 PolarHBondContact O-N 3.18Å
507	A	98.1	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-43.8	-179.1	0	0	0	0	0	111.2	L477 L480 M481 D503 F504 L510 A511 L553	L477-A507 HydrophobicContact CD2-CB 3.91Å; L477-A507 WeakPolarHBondContact CD2-O 3.44Å; L480-A507 HydrophobicContact CB-CB 4.11Å; L480-A507 HydrophobicContact CD1-CB 3.92Å; M481-A507 HydrophobicContact CE-CB 4.01Å; D503-A507 VanDerWaalsContact O-CB 3.26Å; D503-A507 WeakPolarHBondContact O-CB 3.47Å; D503-A507 PolarHBondContact O-N 2.74Å; F504-A507 PolarHBondContact O-N 3Å; A507-L510 PolarHBondContact O-N 3.11Å; A507-A511 WeakPolarHBondContact O-CB 3.36Å; A507-A511 PolarHBondContact O-N 2.81Å; A507-L553 HydrophobicContact CB-CD2 3.81Å
508	T	97.6	Very high	95.2	Very high	48 Å²	48	52.5 Å²	52.5	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176.3	-62.5	0	0	0	0	111.4	F504 L510 A511 Q512	F504-T508 WeakPolarHBondContact O-CB 3.4Å; F504-T508 PolarHBondContact O-N 3.14Å; F504-T508 PolarHBondContact O-OG1 3.23Å; T508-L510 VanDerWaalsContact C-N 3.31Å; T508-L510 PolarHBondContact O-N 3.43Å; T508-A511 PolarHBondContact O-N 3.23Å; T508-Q512 HydrophobicContact CG2-CG 4.35Å; T508-Q512 VanDerWaalsContact O-CB 3.3Å; T508-Q512 WeakPolarHBondContact O-CB 3.45Å; T508-Q512 WeakPolarHBondContact O-CG 3.48Å; T508-Q512 PolarHBondContact O-N 2.87Å
509	I	97	Very high	95.2	Very high	73 Å²	73	47 Å²	47	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-42.2	176.7	-68.3	166.4	0	0	0	110.7	R505 K506 Q512 N513	R505-I509 HydrophobicContact CG-CD1 4.15Å; R505-I509 VanDerWaalsContact O-CG1 3.3Å; R505-I509 WeakPolarHBondContact O-CG1 3.44Å; R505-I509 PolarHBondContact O-N 3.28Å; R505-I509 VanDerWaalsContact O-N 3.07Å; K506-I509 PolarHBondContact O-N 2.87Å; I509-Q512 PolarHBondContact O-N 2.89Å; I509-N513 WeakPolarHBondContact O-CB 3.37Å; I509-N513 VanDerWaalsContact O-CG 3.29Å; I509-N513 PolarHBondContact O-N 3.4Å; I509-N513 PolarHBondContact O-ND2 2.99Å
510	L	97.7	Very high	95.4	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-49.1	178.4	-175.9	59.9	0	0	0	111.6	L473 Q476 L477 L480 K506 A507 T508 Q512 N513 M514	L473-L510 HydrophobicContact CD2-CD1 3.8Å; Q476-L510 HydrophobicContact CB-CD2 3.78Å; L477-L510 HydrophobicContact CD2-CB 4.1Å; L477-L510 HydrophobicContact CD2-CD2 3.87Å; L477-L510 HydrophobicContact CD2-CG 4.15Å; L477-L510 HydrophobicContact CG-CD2 3.96Å; L477-L510 HydrophobicContact CG-CG 4.43Å; L480-L510 HydrophobicContact CD1-CD2 4.5Å; K506-L510 VanDerWaalsContact O-CB 3.31Å; K506-L510 WeakPolarHBondContact O-CB 3.29Å; K506-L510 PolarHBondContact O-N 3.18Å; A507-L510 PolarHBondContact O-N 3.11Å; T508-L510 VanDerWaalsContact C-N 3.31Å; T508-L510 PolarHBondContact O-N 3.43Å; L510-Q512 PolarHBondContact O-N 3.2Å; L510-N513 PolarHBondContact O-N 3.32Å; L510-M514 HydrophobicContact CG-SD 4.49Å; L510-M514 VanDerWaalsContact O-CG 3.3Å; L510-M514 WeakPolarHBondContact O-CG 3.45Å; L510-M514 PolarHBondContact O-N 3.24Å
511	A	97.5	Very high	95.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-42.7	177	0	0	0	0	0	111.6	L477 A507 T508 N513 M514 V515 V549 L552 L553	L477-A511 HydrophobicContact CD2-CB 4.44Å; A507-A511 WeakPolarHBondContact O-CB 3.36Å; A507-A511 PolarHBondContact O-N 2.81Å; T508-A511 PolarHBondContact O-N 3.23Å; A511-N513 VanDerWaalsContact C-N 3.35Å; A511-N513 PolarHBondContact O-N 3.37Å; A511-M514 WeakPolarHBondContact O-CB 3.28Å; A511-M514 PolarHBondContact O-N 3.02Å; A511-V515 WeakPolarHBondContact O-CG2 3.3Å; A511-V515 PolarHBondContact O-N 3.49Å; A511-V515 VanDerWaalsContact O-N 3.07Å; A511-V549 HydrophobicContact CB-CG1 4.03Å; A511-L552 HydrophobicContact CB-CB 4.37Å; A511-L552 HydrophobicContact CB-CD1 4.32Å; A511-L553 HydrophobicContact CB-CD2 4.01Å; A511-L553 HydrophobicContact CB-CG 4.19Å
512	Q	95.3	Very high	95.1	Very high	70 Å²	70	51 Å²	51	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-43.7	173.5	-76.5	175.1	-18.8	0	0	111.7	T508 I509 L510 V515 K516 V549	T508-Q512 HydrophobicContact CG2-CG 4.35Å; T508-Q512 VanDerWaalsContact O-CB 3.3Å; T508-Q512 WeakPolarHBondContact O-CB 3.45Å; T508-Q512 WeakPolarHBondContact O-CG 3.48Å; T508-Q512 PolarHBondContact O-N 2.87Å; I509-Q512 PolarHBondContact O-N 2.89Å; L510-Q512 PolarHBondContact O-N 3.2Å; Q512-V515 PolarHBondContact O-N 2.95Å; Q512-K516 VanDerWaalsContact O-CB 3.28Å; Q512-K516 WeakPolarHBondContact O-CB 3.35Å; Q512-K516 PolarHBondContact O-N 2.9Å; Q512-V549 HydrophobicContact CG-CG1 4.41Å; Q512-V549 HydrophobicContact CG-CG2 4.05Å
513	N	95.3	Very high	95	Very high	33 Å²	33	53.5 Å²	53.5	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-39.3	176.5	-74.1	-33.8	0	0	0	112.3	I509 L510 A511 V515 R517 F518	I509-N513 WeakPolarHBondContact O-CB 3.37Å; I509-N513 VanDerWaalsContact O-CG 3.29Å; I509-N513 PolarHBondContact O-N 3.4Å; I509-N513 PolarHBondContact O-ND2 2.99Å; L510-N513 PolarHBondContact O-N 3.32Å; A511-N513 VanDerWaalsContact C-N 3.35Å; A511-N513 PolarHBondContact O-N 3.37Å; N513-V515 PolarHBondContact O-N 2.76Å; N513-R517 WeakPolarHBondContact O-CA 3.4Å; N513-R517 WeakPolarHBondContact O-CB 3.37Å; N513-R517 PolarHBondContact O-N 2.92Å; N513-R517 WeakPolarHBondContact OD1-CD 3.5Å; N513-R517 PolarHBondContact OD1-NE 3.23Å; N513-F518 HydrophobicContact CB-CD2 4.28Å; N513-F518 HydrophobicContact CB-CE2 3.71Å; N513-F518 HydrophobicContact CB-CZ 3.86Å; N513-F518 WeakPolarHBondContact O-CG 3.37Å; N513-F518 PolarHBondContact O-N 3.45Å
514	M	95.8	Very high	94.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-38.4	174.7	-69.9	176.1	73.4	0	0	112	R470 L473 L474 L477 L510 A511 F518 F520 L552	R470-M514 HydrophobicContact CG-CE 4.36Å; L473-M514 HydrophobicContact CB-CE 4Å; L473-M514 HydrophobicContact CB-CG 4.42Å; L473-M514 HydrophobicContact CB-SD 3.88Å; L473-M514 HydrophobicContact CD1-CG 4.25Å; L474-M514 HydrophobicContact CD2-CE 3.92Å; L474-M514 HydrophobicContact CG-CE 4.15Å; L477-M514 HydrophobicContact CD1-SD 3.88Å; L510-M514 HydrophobicContact CG-SD 4.49Å; L510-M514 VanDerWaalsContact O-CG 3.3Å; L510-M514 WeakPolarHBondContact O-CG 3.45Å; L510-M514 PolarHBondContact O-N 3.24Å; A511-M514 WeakPolarHBondContact O-CB 3.28Å; A511-M514 PolarHBondContact O-N 3.02Å; M514-F518 HydrophobicContact CG-CD2 4.19Å; M514-F520 HydrophobicContact CB-CB 4.37Å; M514-F520 HydrophobicContact CB-CD2 4.12Å; M514-F520 HydrophobicContact CE-CD2 4.31Å; M514-F520 HydrophobicContact CG-CD2 4.07Å; M514-F520 WeakPolarHBondContact O-CB 3.48Å; M514-F520 PolarHBondContact O-N 3.16Å; M514-L552 HydrophobicContact CB-CD1 4.2Å; M514-L552 HydrophobicContact CE-CD2 4.45Å; M514-L552 HydrophobicContact SD-CD1 4.49Å
515	V	94.9	Very high	94.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-84.9	-50.4	-179	178.4	0	0	0	0	112.4	A511 Q512 N513 I524 I545 E548 V549 L552	A511-V515 WeakPolarHBondContact O-CG2 3.3Å; A511-V515 PolarHBondContact O-N 3.49Å; A511-V515 VanDerWaalsContact O-N 3.07Å; Q512-V515 PolarHBondContact O-N 2.95Å; N513-V515 PolarHBondContact O-N 2.76Å; V515-I524 HydrophobicContact CG1-CG1 3.91Å; V515-I545 HydrophobicContact CG1-CB 4.49Å; V515-I545 HydrophobicContact CG1-CG1 4.44Å; V515-I545 HydrophobicContact CG1-CG2 4.07Å; V515-E548 HydrophobicContact CG1-CB 4.11Å; V515-E548 HydrophobicContact CG2-CB 3.91Å; V515-V549 HydrophobicContact CB-CG2 4.35Å; V515-V549 HydrophobicContact CG2-CG2 4.04Å; V515-L552 HydrophobicContact CG2-CD1 3.78Å
516	K	93	Very high	93.8	Very high	19 Å²	19	51.3 Å²	51.3	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-82.7	-26.9	-172	-67.6	-169.5	178.7	-169.4	0	114.2	Q512 V528 I529 D534 I545	Q512-K516 VanDerWaalsContact O-CB 3.28Å; Q512-K516 WeakPolarHBondContact O-CB 3.35Å; Q512-K516 PolarHBondContact O-N 2.9Å; K516-V528 CarbonylContact O-C 3.56Å; K516-V528 WeakPolarHBondContact O-CA 3.48Å; K516-I529 HydrophobicContact CB-CB 4.16Å; K516-I529 HydrophobicContact CD-CG2 4.39Å; K516-I529 HydrophobicContact CG-CB 4.32Å; K516-I529 PolarHBondContact O-N 3.47Å; K516-D534 VanDerWaalsContact NZ-CG 3.27Å; K516-D534 IonicContact NZ-OD1 3.73Å; K516-D534 PolarHBondContact NZ-OD1 3Å; K516-D534 IonicContact NZ-OD2 3.91Å; K516-D534 PolarHBondContact NZ-OD2 2.95Å; K516-I545 HydrophobicContact CG-CG2 4.16Å
517	R	92.4	Very high	93.3	Very high	108 Å²	108	52.2 Å²	52.2	41%	0.408	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-39.7	-168.5	-59.5	-173	-176.8	-177.7	0.3	114.6	N513 D531	N513-R517 WeakPolarHBondContact O-CA 3.4Å; N513-R517 WeakPolarHBondContact O-CB 3.37Å; N513-R517 PolarHBondContact O-N 2.92Å; N513-R517 WeakPolarHBondContact OD1-CD 3.5Å; N513-R517 PolarHBondContact OD1-NE 3.23Å; R517-D531 IonicContact CZ-OD1 3.99Å; R517-D531 IonicContact CZ-OD2 3.76Å; R517-D531 IonicContact NE-OD1 2.8Å; R517-D531 IonicContact NH2-OD1 3.22Å; R517-D531 PolarHBondContact NH2-OD1 3Å; R517-D531 IonicContact NH2-OD2 3.77Å; R517-D531 PolarHBondContact NH2-OD2 3.36Å
518	F	93.3	Very high	92.9	Very high	103 Å²	103	57.3 Å²	57.3	45%	0.452	31%	0.306	S	S	.	.	S	Bend	trans	-91.5	-8.8	-173.1	-53.9	-29.4	0	0	0	114	L473 N513 M514 F520	L473-F518 HydrophobicContact CD1-CD2 4.09Å; L473-F518 HydrophobicContact CD1-CE2 4.37Å; N513-F518 HydrophobicContact CB-CD2 4.28Å; N513-F518 HydrophobicContact CB-CE2 3.71Å; N513-F518 HydrophobicContact CB-CZ 3.86Å; N513-F518 WeakPolarHBondContact O-CG 3.37Å; N513-F518 PolarHBondContact O-N 3.45Å; M514-F518 HydrophobicContact CG-CD2 4.19Å; F518-F520 VanDerWaalsContact C-N 3.33Å; F518-F520 HydrophobicContact CB-CD2 3.47Å; F518-F520 VanDerWaalsContact CB-CD2 3.47Å; F518-F520 HydrophobicContact CB-CE2 3.41Å; F518-F520 VanDerWaalsContact CB-CE2 3.41Å; F518-F520 HydrophobicContact CB-CG 4.3Å; F518-F520 HydrophobicContact CB-CZ 4.24Å; F518-F520 HydrophobicContact CD2-CD2 4.12Å; F518-F520 AromaticContact CD2-CE2 3.9Å; F518-F520 HydrophobicContact CD2-CE2 3.9Å; F518-F520 HydrophobicContact CG-CD2 4.29Å; F518-F520 HydrophobicContact CG-CE2 4.03Å; F518-F520 PolarHBondContact O-N 3.37Å
519	G	92.3	Very high	92.3	Very high	29 Å²	29	55.2 Å²	55.2	30%	0.299	29%	0.293	S	S	.	.			trans	68.7	28.1	179.3	0	0	0	0	0	113.9	S521	G519-S521 VanDerWaalsContact C-N 3.33Å
520	F	92.5	Very high	91.6	Very high	68 Å²	68	54.2 Å²	54.2	30%	0.298	29%	0.291	S	S	.	.			trans	-85.6	-1.8	178.4	-66.7	-49	0	0	0	114.4	R470 L473 M514 F518	R470-F520 HydrophobicContact CB-CD1 3.95Å; R470-F520 HydrophobicContact CB-CE1 3.83Å; R470-F520 HydrophobicContact CB-CG 4.44Å; R470-F520 HydrophobicContact CB-CZ 4.21Å; R470-F520 HydrophobicContact CG-CD1 4.05Å; R470-F520 HydrophobicContact CG-CE1 4.43Å; R470-F520 HydrophobicContact CG-CG 4.19Å; L473-F520 HydrophobicContact CD1-CD2 3.95Å; L473-F520 HydrophobicContact CD1-CE2 3.25Å; L473-F520 HydrophobicContact CD1-CZ 4.06Å; M514-F520 HydrophobicContact CB-CB 4.37Å; M514-F520 HydrophobicContact CB-CD2 4.12Å; M514-F520 HydrophobicContact CE-CD2 4.31Å; M514-F520 HydrophobicContact CG-CD2 4.07Å; M514-F520 WeakPolarHBondContact O-CB 3.48Å; M514-F520 PolarHBondContact O-N 3.16Å; F518-F520 VanDerWaalsContact C-N 3.33Å; F518-F520 HydrophobicContact CB-CD2 3.47Å; F518-F520 VanDerWaalsContact CB-CD2 3.47Å; F518-F520 HydrophobicContact CB-CE2 3.41Å; F518-F520 VanDerWaalsContact CB-CE2 3.41Å; F518-F520 HydrophobicContact CB-CG 4.3Å; F518-F520 HydrophobicContact CB-CZ 4.24Å; F518-F520 HydrophobicContact CD2-CD2 4.12Å; F518-F520 AromaticContact CD2-CE2 3.9Å; F518-F520 HydrophobicContact CD2-CE2 3.9Å; F518-F520 HydrophobicContact CG-CD2 4.29Å; F518-F520 HydrophobicContact CG-CE2 4.03Å; F518-F520 PolarHBondContact O-N 3.37Å
521	S	91.7	Very high	90.7	Very high	5 Å²	5	57.4 Å²	57.4	4%	0.035	31%	0.308	C	S	.	.			trans	-93.3	118.5	169.1	174.6	0	0	0	0	110.3	G519 K523 I524 G525 E548	G519-S521 VanDerWaalsContact C-N 3.33Å; S521-K523 VanDerWaalsContact C-N 3.26Å; S521-K523 PolarHBondContact O-N 3.44Å; S521-K523 PolarHBondContact OG-N 3.3Å; S521-I524 PolarHBondContact OG-N 3.28Å; S521-G525 PolarHBondContact O-N 3.27Å; S521-G525 VanDerWaalsContact O-N 3.1Å; S521-E548 VanDerWaalsContact CB-OE2 3.31Å; S521-E548 WeakPolarHBondContact CB-OE2 3.49Å; S521-E548 VanDerWaalsContact OG-CD 3.28Å; S521-E548 WeakPolarHBondContact OG-CG 3.36Å; S521-E548 PolarHBondContact OG-OE2 3.44Å
522	S	89.4	Confident	89.6	Confident	114 Å²	114	63.7 Å²	63.7	80%	0.797	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.7	174.6	53.4	0	0	0	0	112.7
523	K	91.5	Very high	88.2	Confident	120 Å²	120	64.1 Å²	64.1	52%	0.522	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-37.5	-178.4	-60	-172.7	-161.4	142.9	0	112.6	S521 L544 E548	S521-K523 VanDerWaalsContact C-N 3.26Å; S521-K523 PolarHBondContact O-N 3.44Å; S521-K523 PolarHBondContact OG-N 3.3Å; K523-L544 HydrophobicContact CB-CD1 4.42Å; K523-L544 HydrophobicContact CB-CD2 3.63Å; K523-E548 WeakPolarHBondContact CD-OE1 3.4Å; K523-E548 WeakPolarHBondContact CE-OE1 3.39Å; K523-E548 IonicContact NZ-OE1 2.65Å; K523-E548 PolarHBondContact NZ-OE1 2.85Å
524	I	88.9	Confident	87	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.082	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-34.4	175	-66.9	-69.4	0	0	0	111.6	V515 S521 R527 I529 L544 I545	V515-I524 HydrophobicContact CG1-CG1 3.91Å; S521-I524 PolarHBondContact OG-N 3.28Å; I524-R527 HydrophobicContact CG2-CG 3.99Å; I524-I529 HydrophobicContact CG2-CD1 4.26Å; I524-L544 HydrophobicContact CD1-CB 4.29Å; I524-L544 HydrophobicContact CD1-CD2 3.31Å; I524-L544 HydrophobicContact CD1-CG 4.29Å; I524-L544 HydrophobicContact CG1-CD2 3.54Å; I524-I545 HydrophobicContact CD1-CG1 3.55Å; I524-I545 HydrophobicContact CG1-CG1 4.27Å
525	G	88.1	Confident	85.9	Confident	19 Å²	19	73.9 Å²	73.9	20%	0.196	40%	0.395	C	S	.	.			trans	83.9	-178.9	-177	0	0	0	0	0	113.9	S521 R527	S521-G525 PolarHBondContact O-N 3.27Å; S521-G525 VanDerWaalsContact O-N 3.1Å; G525-R527 PolarHBondContact O-N 3.45Å
526	P	89.6	Confident	85.2	Confident	137 Å²	137	81.1 Å²	81.1	89%	0.89	43%	0.429	S	S	*	.	S	Bend	trans	-82.4	57	-172.4	35.8	-37.7	0	0	0	112.2
527	R	86.7	Confident	84.7	Confident	109 Å²	109	81.7 Å²	81.7	41%	0.411	43%	0.433	S	S	.	.			trans	-117.5	152.2	176.4	66.7	178.5	-179.3	179.9	-2.4	111.4	I524 G525 I529	I524-R527 HydrophobicContact CG2-CG 3.99Å; G525-R527 PolarHBondContact O-N 3.45Å; R527-I529 HydrophobicContact CG-CG1 4.49Å
528	V	89.9	Confident	84.3	Confident	106 Å²	106	78.8 Å²	78.8	64%	0.642	44%	0.437	S	S	*	.			trans	-97.2	130.6	172.3	-179.7	0	0	0	0	109.2	K516	K516-V528 CarbonylContact O-C 3.56Å; K516-V528 WeakPolarHBondContact O-CA 3.48Å
529	I	86.1	Confident	84.1	Confident	5 Å²	5	81.3 Å²	81.3	3%	0.026	45%	0.45	C	S	.	.			trans	-109.9	108.9	174.8	-60.4	-179.8	0	0	0	107.9	K516 I524 R527 L537 I545	K516-I529 HydrophobicContact CB-CB 4.16Å; K516-I529 HydrophobicContact CD-CG2 4.39Å; K516-I529 HydrophobicContact CG-CB 4.32Å; K516-I529 PolarHBondContact O-N 3.47Å; I524-I529 HydrophobicContact CG2-CD1 4.26Å; R527-I529 HydrophobicContact CG-CG1 4.49Å; I529-L537 HydrophobicContact CD1-CD2 4.44Å; I529-L537 HydrophobicContact CG2-CD1 3.57Å; I529-L537 HydrophobicContact CG2-CD2 4.02Å; I529-L537 HydrophobicContact CG2-CG 4.29Å; I529-I545 HydrophobicContact CD1-CD1 3.47Å; I529-I545 VanDerWaalsContact CD1-CD1 3.47Å; I529-I545 HydrophobicContact CD1-CG1 4.2Å
530	P	81.7	Confident	84	Confident	51 Å²	51	83.7 Å²	83.7	33%	0.331	47%	0.467	S	S	.	.			trans	-68.9	142.6	177.3	-16.1	30	0	0	0	111.9	T532 Q533	P530-T532 PolarHBondContact O-N 3.22Å; P530-Q533 HydrophobicContact CB-CG 4.37Å; P530-Q533 HydrophobicContact CG-CG 4.39Å; P530-Q533 PolarHBondContact O-N 3.14Å; P530-Q533 VanDerWaalsContact O-N 3.11Å
531	D	78.6	Confident	83.9	Confident	93 Å²	93	82.1 Å²	82.1	50%	0.497	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-59.8	-32.1	179.2	-56.8	-9.5	0	0	0	112.7	R517 Q533	R517-D531 IonicContact CZ-OD1 3.99Å; R517-D531 IonicContact CZ-OD2 3.76Å; R517-D531 IonicContact NE-OD1 2.8Å; R517-D531 IonicContact NH2-OD1 3.22Å; R517-D531 PolarHBondContact NH2-OD1 3Å; R517-D531 IonicContact NH2-OD2 3.77Å; R517-D531 PolarHBondContact NH2-OD2 3.36Å; D531-Q533 PolarHBondContact O-N 2.96Å
532	T	74.3	Confident	83.8	Confident	132 Å²	132	87.3 Å²	87.3	81%	0.81	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-72.1	-11.4	-178.8	52.8	0	0	0	0	113.9	P530	P530-T532 PolarHBondContact O-N 3.22Å
533	Q	67.4	Low	83.9	Confident	79 Å²	79	85.4 Å²	85.4	37%	0.369	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-108.2	11.5	-175.1	-68	-175.2	-6	0	0	113.3	P530 D531 E535 Q536 L537	P530-Q533 HydrophobicContact CB-CG 4.37Å; P530-Q533 HydrophobicContact CG-CG 4.39Å; P530-Q533 PolarHBondContact O-N 3.14Å; P530-Q533 VanDerWaalsContact O-N 3.11Å; D531-Q533 PolarHBondContact O-N 2.96Å; Q533-E535 PolarHBondContact O-N 3.24Å; Q533-Q536 HydrophobicContact CB-CB 4.37Å; Q533-Q536 WeakPolarHBondContact O-CA 3.37Å; Q533-Q536 PolarHBondContact O-N 3.11Å; Q533-L537 PolarHBondContact O-N 3.24Å
534	D	69.3	Low	84	Confident	55 Å²	55	82.4 Å²	82.4	29%	0.294	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.9	179.6	-84.5	-7	0	0	0	112.6	K516 R542	K516-D534 VanDerWaalsContact NZ-CG 3.27Å; K516-D534 IonicContact NZ-OD1 3.73Å; K516-D534 PolarHBondContact NZ-OD1 3Å; K516-D534 IonicContact NZ-OD2 3.91Å; K516-D534 PolarHBondContact NZ-OD2 2.95Å; D534-R542 PolarHBondContact O-NH1 2.98Å
535	E	73.5	Confident	84.2	Confident	183 Å²	183	81.8 Å²	81.8	86%	0.855	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.6	173.8	-64.2	-175.9	174.9	0	0	114.3	Q533	Q533-E535 PolarHBondContact O-N 3.24Å
536	Q	78.4	Confident	84.5	Confident	152 Å²	152	85 Å²	85	71%	0.71	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.3	179.1	-61.4	-178.2	-1.9	0	0	112.5	Q533	Q533-Q536 HydrophobicContact CB-CB 4.37Å; Q533-Q536 WeakPolarHBondContact O-CA 3.37Å; Q533-Q536 PolarHBondContact O-N 3.11Å
537	L	82.4	Confident	84.8	Confident	32 Å²	32	85 Å²	85	17%	0.168	45%	0.447	C	S	.	.	S	Bend	trans	-74.3	134.8	176.6	-63.7	170.8	0	0	0	110.4	I529 Q533 T541 R542 I545	I529-L537 HydrophobicContact CD1-CD2 4.44Å; I529-L537 HydrophobicContact CG2-CD1 3.57Å; I529-L537 HydrophobicContact CG2-CD2 4.02Å; I529-L537 HydrophobicContact CG2-CG 4.29Å; Q533-L537 PolarHBondContact O-N 3.24Å; L537-T541 HydrophobicContact CD2-CG2 4.11Å; L537-R542 HydrophobicContact CB-CG 3.69Å; L537-R542 HydrophobicContact CD1-CG 4.25Å; L537-I545 HydrophobicContact CD1-CD1 4.06Å
538	G	85.8	Confident	85.2	Confident	47 Å²	47	80.7 Å²	80.7	49%	0.485	43%	0.432	S	S	.	.			trans	-60	143.4	169.6	0	0	0	0	0	111.2	A540 T541 R542	G538-A540 VanDerWaalsContact C-N 3.28Å; G538-A540 PolarHBondContact O-N 3.35Å; G538-T541 WeakPolarHBondContact O-CA 3.16Å; G538-T541 WeakPolarHBondContact O-CB 3.45Å; G538-T541 PolarHBondContact O-N 2.98Å; G538-R542 PolarHBondContact O-N 3.14Å; G538-R542 VanDerWaalsContact O-N 3.14Å
539	E	89	Confident	85.6	Confident	156 Å²	156	76 Å²	76	73%	0.729	40%	0.404	S	S	*	.	H	α-helix	trans	-48.8	-47.7	-179.4	-173.7	177.2	-175.7	0	0	112.1	T541 R542 D543	E539-T541 PolarHBondContact O-N 3.46Å; E539-T541 VanDerWaalsContact O-N 3.16Å; E539-R542 WeakPolarHBondContact O-CB 3.41Å; E539-R542 PolarHBondContact O-N 3Å; E539-D543 PolarHBondContact O-N 3.43Å
540	A	89.9	Confident	86.1	Confident	79 Å²	79	80 Å²	80	65%	0.653	43%	0.425	S	S	*	.	H	α-helix	trans	-59.1	-31.1	177.5	0	0	0	0	0	114.1	G538 L544	G538-A540 VanDerWaalsContact C-N 3.28Å; G538-A540 PolarHBondContact O-N 3.35Å; A540-L544 WeakPolarHBondContact O-CB 3.48Å; A540-L544 PolarHBondContact O-N 3.08Å
541	T	89.5	Confident	86.8	Confident	34 Å²	34	81.7 Å²	81.7	21%	0.209	43%	0.428	C	S	.	.	H	α-helix	trans	-74.3	-40.9	174.6	-72.6	0	0	0	0	111.1	L537 G538 E539 L544 I545	L537-T541 HydrophobicContact CD2-CG2 4.11Å; G538-T541 WeakPolarHBondContact O-CA 3.16Å; G538-T541 WeakPolarHBondContact O-CB 3.45Å; G538-T541 PolarHBondContact O-N 2.98Å; E539-T541 PolarHBondContact O-N 3.46Å; E539-T541 VanDerWaalsContact O-N 3.16Å; T541-L544 PolarHBondContact O-N 3.44Å; T541-I545 HydrophobicContact CG2-CD1 3.94Å; T541-I545 HydrophobicContact CG2-CG1 4.44Å; T541-I545 VanDerWaalsContact O-CG1 3.29Å; T541-I545 WeakPolarHBondContact O-CG1 3.48Å; T541-I545 PolarHBondContact O-N 3.49Å
542	R	89.7	Confident	87.7	Confident	114 Å²	114	78.2 Å²	78.2	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-48.3	178.3	-65.2	174.7	61	161.9	-2.6	110.7	D534 L537 G538 E539 L544 I545 D546	D534-R542 PolarHBondContact O-NH1 2.98Å; L537-R542 HydrophobicContact CB-CG 3.69Å; L537-R542 HydrophobicContact CD1-CG 4.25Å; G538-R542 PolarHBondContact O-N 3.14Å; G538-R542 VanDerWaalsContact O-N 3.14Å; E539-R542 WeakPolarHBondContact O-CB 3.41Å; E539-R542 PolarHBondContact O-N 3Å; R542-L544 PolarHBondContact O-N 3.49Å; R542-I545 WeakPolarHBondContact O-CB 3.24Å; R542-I545 PolarHBondContact O-N 3.21Å; R542-I545 VanDerWaalsContact O-N 3.08Å; R542-D546 PolarHBondContact O-N 3.42Å
543	D	92.7	Very high	88.8	Confident	74 Å²	74	73 Å²	73	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-58.2	-36.1	175.3	-70.2	-4	0	0	0	112.6	E539 K547	E539-D543 PolarHBondContact O-N 3.43Å; D543-K547 WeakPolarHBondContact O-CB 3.45Å; D543-K547 WeakPolarHBondContact O-CD 3.49Å; D543-K547 WeakPolarHBondContact O-CG 3.38Å; D543-K547 PolarHBondContact O-N 3.36Å
544	L	93.2	Very high	90.3	Very high	58 Å²	58	73.4 Å²	73.4	30%	0.304	38%	0.381	S	S	.	.	H	α-helix	trans	-69.9	-42	178	-161.9	154.4	0	0	0	111.1	K523 I524 A540 T541 R542 K547 E548	K523-L544 HydrophobicContact CB-CD1 4.42Å; K523-L544 HydrophobicContact CB-CD2 3.63Å; I524-L544 HydrophobicContact CD1-CB 4.29Å; I524-L544 HydrophobicContact CD1-CD2 3.31Å; I524-L544 HydrophobicContact CD1-CG 4.29Å; I524-L544 HydrophobicContact CG1-CD2 3.54Å; A540-L544 WeakPolarHBondContact O-CB 3.48Å; A540-L544 PolarHBondContact O-N 3.08Å; T541-L544 PolarHBondContact O-N 3.44Å; R542-L544 PolarHBondContact O-N 3.49Å; L544-K547 PolarHBondContact O-N 2.92Å; L544-E548 HydrophobicContact CD2-CG 3.84Å; L544-E548 WeakPolarHBondContact O-CG 3.18Å; L544-E548 PolarHBondContact O-N 2.99Å
545	I	93.1	Very high	91.7	Very high	3 Å²	3	74.2 Å²	74.2	2%	0.015	39%	0.385	C	S	.	.	H	α-helix	trans	-59.9	-49.2	175.4	-66.2	163.6	0	0	0	109.7	V515 K516 I524 I529 L537 T541 R542 K547 E548 V549	V515-I545 HydrophobicContact CG1-CB 4.49Å; V515-I545 HydrophobicContact CG1-CG1 4.44Å; V515-I545 HydrophobicContact CG1-CG2 4.07Å; K516-I545 HydrophobicContact CG-CG2 4.16Å; I524-I545 HydrophobicContact CD1-CG1 3.55Å; I524-I545 HydrophobicContact CG1-CG1 4.27Å; I529-I545 HydrophobicContact CD1-CD1 3.47Å; I529-I545 VanDerWaalsContact CD1-CD1 3.47Å; I529-I545 HydrophobicContact CD1-CG1 4.2Å; L537-I545 HydrophobicContact CD1-CD1 4.06Å; T541-I545 HydrophobicContact CG2-CD1 3.94Å; T541-I545 HydrophobicContact CG2-CG1 4.44Å; T541-I545 VanDerWaalsContact O-CG1 3.29Å; T541-I545 WeakPolarHBondContact O-CG1 3.48Å; T541-I545 PolarHBondContact O-N 3.49Å; R542-I545 WeakPolarHBondContact O-CB 3.24Å; R542-I545 PolarHBondContact O-N 3.21Å; R542-I545 VanDerWaalsContact O-N 3.08Å; I545-K547 VanDerWaalsContact C-N 3.34Å; I545-K547 PolarHBondContact O-N 3.47Å; I545-E548 PolarHBondContact O-N 3.47Å; I545-E548 VanDerWaalsContact O-N 3.14Å; I545-V549 HydrophobicContact CG2-CG2 4.33Å; I545-V549 WeakPolarHBondContact O-CG2 3.28Å; I545-V549 PolarHBondContact O-N 2.96Å
546	D	93.9	Very high	92.8	Very high	86 Å²	86	65.5 Å²	65.5	46%	0.46	35%	0.345	S	S	.	.	H	α-helix	trans	-61.2	-44.4	-178.5	-68.4	-17.9	0	0	0	110.8	R542 E548 V549 D550	R542-D546 PolarHBondContact O-N 3.42Å; D546-E548 VanDerWaalsContact C-N 3.33Å; D546-E548 PolarHBondContact O-N 3.3Å; D546-V549 PolarHBondContact O-N 3.25Å; D546-D550 WeakPolarHBondContact O-CB 3.43Å; D546-D550 VanDerWaalsContact O-CG 3.31Å; D546-D550 PolarHBondContact O-N 3.04Å
547	K	96.2	Very high	93.7	Very high	138 Å²	138	59.3 Å²	59.3	60%	0.6	32%	0.316	S	S	*	.	H	α-helix	trans	-60	-39.3	174.3	-75.5	169.6	-174.1	168.9	0	113.4	D543 L544 I545 Q551	D543-K547 WeakPolarHBondContact O-CB 3.45Å; D543-K547 WeakPolarHBondContact O-CD 3.49Å; D543-K547 WeakPolarHBondContact O-CG 3.38Å; D543-K547 PolarHBondContact O-N 3.36Å; L544-K547 PolarHBondContact O-N 2.92Å; I545-K547 VanDerWaalsContact C-N 3.34Å; I545-K547 PolarHBondContact O-N 3.47Å; K547-Q551 VanDerWaalsContact O-CB 3.26Å; K547-Q551 WeakPolarHBondContact O-CB 3.47Å; K547-Q551 PolarHBondContact O-N 3.41Å
548	E	95.8	Very high	94.5	Very high	17 Å²	17	61.6 Å²	61.6	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-70.3	-39.8	178.1	-75.2	-73.9	114	0	0	111.9	V515 S521 K523 L544 I545 D546 Q551 L552	V515-E548 HydrophobicContact CG1-CB 4.11Å; V515-E548 HydrophobicContact CG2-CB 3.91Å; S521-E548 VanDerWaalsContact CB-OE2 3.31Å; S521-E548 WeakPolarHBondContact CB-OE2 3.49Å; S521-E548 VanDerWaalsContact OG-CD 3.28Å; S521-E548 WeakPolarHBondContact OG-CG 3.36Å; S521-E548 PolarHBondContact OG-OE2 3.44Å; K523-E548 WeakPolarHBondContact CD-OE1 3.4Å; K523-E548 WeakPolarHBondContact CE-OE1 3.39Å; K523-E548 IonicContact NZ-OE1 2.65Å; K523-E548 PolarHBondContact NZ-OE1 2.85Å; L544-E548 HydrophobicContact CD2-CG 3.84Å; L544-E548 WeakPolarHBondContact O-CG 3.18Å; L544-E548 PolarHBondContact O-N 2.99Å; I545-E548 PolarHBondContact O-N 3.47Å; I545-E548 VanDerWaalsContact O-N 3.14Å; D546-E548 VanDerWaalsContact C-N 3.33Å; D546-E548 PolarHBondContact O-N 3.3Å; E548-Q551 PolarHBondContact O-N 3Å; E548-L552 WeakPolarHBondContact O-CG 3.48Å; E548-L552 PolarHBondContact O-N 3.27Å
549	V	96.3	Very high	95.1	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-48.6	174.5	171.2	0	0	0	0	110	A511 Q512 V515 I545 D546 Q551 L552 L553	A511-V549 HydrophobicContact CB-CG1 4.03Å; Q512-V549 HydrophobicContact CG-CG1 4.41Å; Q512-V549 HydrophobicContact CG-CG2 4.05Å; V515-V549 HydrophobicContact CB-CG2 4.35Å; V515-V549 HydrophobicContact CG2-CG2 4.04Å; I545-V549 HydrophobicContact CG2-CG2 4.33Å; I545-V549 WeakPolarHBondContact O-CG2 3.28Å; I545-V549 PolarHBondContact O-N 2.96Å; D546-V549 PolarHBondContact O-N 3.25Å; V549-Q551 VanDerWaalsContact C-N 3.29Å; V549-Q551 PolarHBondContact O-N 3.27Å; V549-L552 PolarHBondContact O-N 2.97Å; V549-L553 HydrophobicContact CG1-CD1 3.91Å; V549-L553 HydrophobicContact CG1-CG 4.49Å; V549-L553 WeakPolarHBondContact O-CG 3.4Å; V549-L553 PolarHBondContact O-N 3.37Å
550	D	97.2	Very high	95.5	Very high	89 Å²	89	56.4 Å²	56.4	48%	0.476	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176.6	-76	-16.3	0	0	0	111.6	D546 L553 N554	D546-D550 WeakPolarHBondContact O-CB 3.43Å; D546-D550 VanDerWaalsContact O-CG 3.31Å; D546-D550 PolarHBondContact O-N 3.04Å; D550-L553 PolarHBondContact O-N 3.46Å; D550-N554 VanDerWaalsContact O-CB 3.27Å; D550-N554 WeakPolarHBondContact O-CB 3.23Å; D550-N554 VanDerWaalsContact O-CG 3.29Å; D550-N554 PolarHBondContact O-N 3.28Å; D550-N554 PolarHBondContact O-ND2 3.4Å
551	Q	97.2	Very high	95.9	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-48.1	177.3	-177.1	170	4.3	0	0	111.2	K547 E548 V549 L553 N554 D555	K547-Q551 VanDerWaalsContact O-CB 3.26Å; K547-Q551 WeakPolarHBondContact O-CB 3.47Å; K547-Q551 PolarHBondContact O-N 3.41Å; E548-Q551 PolarHBondContact O-N 3Å; V549-Q551 VanDerWaalsContact C-N 3.29Å; V549-Q551 PolarHBondContact O-N 3.27Å; Q551-L553 VanDerWaalsContact C-N 3.33Å; Q551-L553 PolarHBondContact O-N 2.82Å; Q551-N554 PolarHBondContact O-N 3.3Å; Q551-D555 VanDerWaalsContact O-CB 3.24Å; Q551-D555 WeakPolarHBondContact O-CB 3.42Å; Q551-D555 PolarHBondContact O-N 3.05Å
552	L	97.4	Very high	96.3	Very high	20 Å²	20	59.7 Å²	59.7	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-43.7	178.4	-74.2	172.5	0	0	0	112.5	L474 L477 A511 M514 V515 E548 V549 S556	L474-L552 HydrophobicContact CD2-CD2 3.97Å; L477-L552 HydrophobicContact CD1-CB 4.37Å; A511-L552 HydrophobicContact CB-CB 4.37Å; A511-L552 HydrophobicContact CB-CD1 4.32Å; M514-L552 HydrophobicContact CB-CD1 4.2Å; M514-L552 HydrophobicContact CE-CD2 4.45Å; M514-L552 HydrophobicContact SD-CD1 4.49Å; V515-L552 HydrophobicContact CG2-CD1 3.78Å; E548-L552 WeakPolarHBondContact O-CG 3.48Å; E548-L552 PolarHBondContact O-N 3.27Å; V549-L552 PolarHBondContact O-N 2.97Å; L552-S556 WeakPolarHBondContact O-CB 3.45Å; L552-S556 PolarHBondContact O-N 3.38Å; L552-S556 VanDerWaalsContact O-N 3.13Å
553	L	98.2	Very high	96.6	Very high	23 Å²	23	56 Å²	56	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-69.5	-44.8	-179.2	-64.3	173	0	0	0	111.7	L477 M481 A507 A511 V549 D550 Q551 S556 L557	L477-L553 HydrophobicContact CD2-CD2 4.18Å; M481-L553 HydrophobicContact CE-CB 4.06Å; M481-L553 HydrophobicContact CE-CD2 3.58Å; M481-L553 HydrophobicContact CE-CG 4.42Å; A507-L553 HydrophobicContact CB-CD2 3.81Å; A511-L553 HydrophobicContact CB-CD2 4.01Å; A511-L553 HydrophobicContact CB-CG 4.19Å; V549-L553 HydrophobicContact CG1-CD1 3.91Å; V549-L553 HydrophobicContact CG1-CG 4.49Å; V549-L553 WeakPolarHBondContact O-CG 3.4Å; V549-L553 PolarHBondContact O-N 3.37Å; D550-L553 PolarHBondContact O-N 3.46Å; Q551-L553 VanDerWaalsContact C-N 3.33Å; Q551-L553 PolarHBondContact O-N 2.82Å; L553-S556 WeakPolarHBondContact O-CB 3.48Å; L553-S556 PolarHBondContact O-N 3.16Å; L553-L557 PolarHBondContact O-N 3.14Å
554	N	98	Very high	96.8	Very high	87 Å²	87	52.5 Å²	52.5	47%	0.465	26%	0.263	S	S	.	.	H	α-helix	trans	-69.1	-38	179.7	-74.2	-49.6	0	0	0	112.6	D550 Q551 S556 L557 T558	D550-N554 VanDerWaalsContact O-CB 3.27Å; D550-N554 WeakPolarHBondContact O-CB 3.23Å; D550-N554 VanDerWaalsContact O-CG 3.29Å; D550-N554 PolarHBondContact O-N 3.28Å; D550-N554 PolarHBondContact O-ND2 3.4Å; Q551-N554 PolarHBondContact O-N 3.3Å; N554-S556 VanDerWaalsContact C-N 3.3Å; N554-S556 PolarHBondContact O-N 2.99Å; N554-L557 PolarHBondContact O-N 3.15Å; N554-T558 WeakPolarHBondContact O-CB 3.25Å; N554-T558 PolarHBondContact O-N 3.25Å; N554-T558 PolarHBondContact O-OG1 2.9Å
555	D	98	Very high	97	Very high	72 Å²	72	52.8 Å²	52.8	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-41.8	174.4	-72.7	-11	0	0	0	110.3	Q551 T558 R559	Q551-D555 VanDerWaalsContact O-CB 3.24Å; Q551-D555 WeakPolarHBondContact O-CB 3.42Å; Q551-D555 PolarHBondContact O-N 3.05Å; D555-T558 PolarHBondContact O-N 2.62Å; D555-R559 WeakPolarHBondContact O-CG 3.4Å; D555-R559 PolarHBondContact O-N 3Å; D555-R559 PolarHBondContact O-NH1 2.87Å
556	S	97.9	Very high	97.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-50	175.2	-177.4	0	0	0	0	112.3	L477 D478 M481 L552 L553 N554 T558 R559 V560	L477-S556 PolarHBondContact O-OG 3.17Å; D478-S556 VanDerWaalsContact CA-OG 3.25Å; D478-S556 WeakPolarHBondContact CA-OG 3.34Å; D478-S556 PolarHBondContact N-OG 3.07Å; D478-S556 VanDerWaalsContact N-OG 3.15Å; D478-S556 VanDerWaalsContact OD1-CA 3.3Å; D478-S556 WeakPolarHBondContact OD1-CA 3.39Å; D478-S556 VanDerWaalsContact OD1-CB 3.25Å; D478-S556 WeakPolarHBondContact OD1-CB 3.38Å; D478-S556 PolarHBondContact OD1-OG 3.42Å; M481-S556 WeakPolarHBondContact CG-OG 3.43Å; L552-S556 WeakPolarHBondContact O-CB 3.45Å; L552-S556 PolarHBondContact O-N 3.38Å; L552-S556 VanDerWaalsContact O-N 3.13Å; L553-S556 WeakPolarHBondContact O-CB 3.48Å; L553-S556 PolarHBondContact O-N 3.16Å; N554-S556 VanDerWaalsContact C-N 3.3Å; N554-S556 PolarHBondContact O-N 2.99Å; S556-T558 PolarHBondContact O-N 3.26Å; S556-R559 PolarHBondContact O-N 3.28Å; S556-V560 WeakPolarHBondContact O-CB 3.31Å; S556-V560 VanDerWaalsContact O-CG2 3.28Å; S556-V560 WeakPolarHBondContact O-CG2 3.38Å; S556-V560 PolarHBondContact O-N 2.97Å
557	L	97.6	Very high	97.2	Very high	22 Å²	22	55.6 Å²	55.6	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-55	-41.7	174.6	-80.2	168.3	0	0	0	112.2	M481 V485 L553 N554 V560 R561	M481-L557 HydrophobicContact CB-CD2 3.95Å; M481-L557 HydrophobicContact CB-CG 4.47Å; M481-L557 HydrophobicContact CE-CG 4.2Å; M481-L557 HydrophobicContact CG-CD2 3.9Å; M481-L557 HydrophobicContact CG-CG 3.95Å; M481-L557 HydrophobicContact SD-CD1 4.38Å; M481-L557 HydrophobicContact SD-CD2 3.55Å; M481-L557 VanDerWaalsContact SD-CD2 3.55Å; M481-L557 HydrophobicContact SD-CG 3.65Å; V485-L557 HydrophobicContact CG2-CD2 3.99Å; L553-L557 PolarHBondContact O-N 3.14Å; N554-L557 PolarHBondContact O-N 3.15Å; L557-V560 PolarHBondContact O-N 3.34Å; L557-R561 WeakPolarHBondContact O-CB 3.33Å; L557-R561 WeakPolarHBondContact O-CG 3.37Å; L557-R561 PolarHBondContact O-N 3.38Å
558	T	98.1	Very high	97.1	Very high	81 Å²	81	51.9 Å²	51.9	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-43.9	-178.8	-58.2	0	0	0	0	112	N554 D555 S556 V560 T562	N554-T558 WeakPolarHBondContact O-CB 3.25Å; N554-T558 PolarHBondContact O-N 3.25Å; N554-T558 PolarHBondContact O-OG1 2.9Å; D555-T558 PolarHBondContact O-N 2.62Å; S556-T558 PolarHBondContact O-N 3.26Å; T558-V560 VanDerWaalsContact C-N 3.35Å; T558-V560 PolarHBondContact O-N 3.17Å; T558-T562 PolarHBondContact O-N 3.42Å; T558-T562 VanDerWaalsContact O-N 3.09Å; T558-T562 PolarHBondContact O-OG1 3.34Å
559	R	97.8	Very high	97.1	Very high	92 Å²	92	60.1 Å²	60.1	35%	0.347	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-47.1	173.7	-74.6	-168.6	-59.4	-84.6	1	111.3	D478 D555 S556 T562 L563	D478-R559 IonicContact OD1-CZ 3.09Å; D478-R559 IonicContact OD1-NE 3.3Å; D478-R559 PolarHBondContact OD1-NE 2.91Å; D478-R559 IonicContact OD1-NH2 3.04Å; D478-R559 PolarHBondContact OD1-NH2 3.29Å; D478-R559 IonicContact OD2-CZ 3.71Å; D478-R559 IonicContact OD2-NE 3.49Å; D478-R559 PolarHBondContact OD2-NE 2.96Å; D478-R559 IonicContact OD2-NH2 2.85Å; D555-R559 WeakPolarHBondContact O-CG 3.4Å; D555-R559 PolarHBondContact O-N 3Å; D555-R559 PolarHBondContact O-NH1 2.87Å; S556-R559 PolarHBondContact O-N 3.28Å; R559-T562 WeakPolarHBondContact O-CB 3.33Å; R559-T562 PolarHBondContact O-N 3.16Å; R559-L563 WeakPolarHBondContact O-CB 3.45Å; R559-L563 PolarHBondContact O-N 3.26Å
560	V	98.1	Very high	97	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-40.2	-177.1	174.6	0	0	0	0	112	V432 D478 M481 V485 S556 L557 T558 T562 L563 L564	V432-V560 HydrophobicContact CG1-CG2 4.26Å; V432-V560 HydrophobicContact CG2-CG1 3.76Å; D478-V560 HydrophobicContact CB-CG2 3.63Å; D478-V560 VanDerWaalsContact O-CG2 3.23Å; D478-V560 WeakPolarHBondContact O-CG2 3.5Å; M481-V560 HydrophobicContact CB-CB 4.27Å; M481-V560 HydrophobicContact CB-CG1 4.34Å; M481-V560 HydrophobicContact CB-CG2 4.1Å; V485-V560 HydrophobicContact CB-CG1 3.88Å; V485-V560 HydrophobicContact CG1-CG1 4.09Å; V485-V560 HydrophobicContact CG2-CB 4.4Å; V485-V560 HydrophobicContact CG2-CG1 3.9Å; S556-V560 WeakPolarHBondContact O-CB 3.31Å; S556-V560 VanDerWaalsContact O-CG2 3.28Å; S556-V560 WeakPolarHBondContact O-CG2 3.38Å; S556-V560 PolarHBondContact O-N 2.97Å; L557-V560 PolarHBondContact O-N 3.34Å; T558-V560 VanDerWaalsContact C-N 3.35Å; T558-V560 PolarHBondContact O-N 3.17Å; V560-T562 VanDerWaalsContact C-N 3.31Å; V560-T562 PolarHBondContact O-N 3.46Å; V560-L563 PolarHBondContact O-N 3.34Å; V560-L564 HydrophobicContact CG1-CD1 3.93Å; V560-L564 HydrophobicContact CG1-CG 4.29Å; V560-L564 WeakPolarHBondContact O-CB 3.2Å; V560-L564 PolarHBondContact O-N 3.06Å
561	R	97.6	Very high	97	Very high	89 Å²	89	58.3 Å²	58.3	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-56.7	-45.5	171	-81.2	-177.3	-176.8	123.9	-0	111.8	V485 E488 L557 S565	V485-R561 HydrophobicContact CB-CG 4.45Å; V485-R561 HydrophobicContact CG1-CB 4.31Å; V485-R561 HydrophobicContact CG1-CG 3.71Å; V485-R561 HydrophobicContact CG2-CG 3.85Å; E488-R561 IonicContact OE1-CZ 3.99Å; E488-R561 IonicContact OE1-NE 2.85Å; E488-R561 IonicContact OE1-NH2 2.84Å; E488-R561 PolarHBondContact OE1-NH2 3.37Å; E488-R561 IonicContact OE2-CZ 3.54Å; E488-R561 IonicContact OE2-NE 3.9Å; E488-R561 PolarHBondContact OE2-NE 3.22Å; E488-R561 IonicContact OE2-NH2 2.82Å; E488-R561 PolarHBondContact OE2-NH2 3.03Å; L557-R561 WeakPolarHBondContact O-CB 3.33Å; L557-R561 WeakPolarHBondContact O-CG 3.37Å; L557-R561 PolarHBondContact O-N 3.38Å; R561-S565 WeakPolarHBondContact O-CB 3.38Å; R561-S565 PolarHBondContact O-N 2.9Å; R561-S565 PolarHBondContact O-OG 3.43Å
562	T	97.7	Very high	96.9	Very high	94 Å²	94	59.3 Å²	59.3	58%	0.577	31%	0.308	S	S	*	.	H	α-helix	trans	-63.3	-46.5	179	-55.4	0	0	0	0	110.8	T558 R559 V560 S566	T558-T562 PolarHBondContact O-N 3.42Å; T558-T562 VanDerWaalsContact O-N 3.09Å; T558-T562 PolarHBondContact O-OG1 3.34Å; R559-T562 WeakPolarHBondContact O-CB 3.33Å; R559-T562 PolarHBondContact O-N 3.16Å; V560-T562 VanDerWaalsContact C-N 3.31Å; V560-T562 PolarHBondContact O-N 3.46Å; T562-S566 WeakPolarHBondContact O-CB 3.41Å; T562-S566 PolarHBondContact O-N 3.37Å; T562-S566 VanDerWaalsContact O-N 3.08Å
563	L	97.5	Very high	96.8	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.188	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-55.1	-179.8	-175.5	157.1	0	0	0	111.8	V432 L435 R559 V560 S565 S566 Q567	V432-L563 HydrophobicContact CG2-CD2 4.27Å; L435-L563 HydrophobicContact CB-CD1 4.03Å; L435-L563 HydrophobicContact CB-CD2 4.17Å; L435-L563 HydrophobicContact CB-CG 4.41Å; L435-L563 HydrophobicContact CD1-CD2 3.77Å; L435-L563 HydrophobicContact CD1-CG 4.44Å; R559-L563 WeakPolarHBondContact O-CB 3.45Å; R559-L563 PolarHBondContact O-N 3.26Å; V560-L563 PolarHBondContact O-N 3.34Å; L563-S565 VanDerWaalsContact C-N 3.35Å; L563-S565 PolarHBondContact O-N 2.84Å; L563-S566 PolarHBondContact O-N 3.27Å; L563-S566 PolarHBondContact O-OG 3.14Å; L563-Q567 PolarHBondContact O-N 2.99Å; L563-Q567 VanDerWaalsContact O-N 3.1Å
564	L	97	Very high	96.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-31.3	-178.1	-72.1	-179.4	0	0	0	112.8	L431 V432 V485 L489 V560 Q567 S568	L431-L564 HydrophobicContact CB-CD2 4.14Å; L431-L564 HydrophobicContact CD2-CD2 3.77Å; L431-L564 HydrophobicContact CG-CD2 4.12Å; V432-L564 HydrophobicContact CG2-CD1 3.92Å; V432-L564 HydrophobicContact CG2-CD2 3.93Å; V432-L564 HydrophobicContact CG2-CG 3.85Å; V485-L564 HydrophobicContact CB-CD1 4.06Å; V485-L564 HydrophobicContact CG1-CB 4.21Å; V485-L564 HydrophobicContact CG1-CD1 3.8Å; L489-L564 HydrophobicContact CD1-CB 3.56Å; V560-L564 HydrophobicContact CG1-CD1 3.93Å; V560-L564 HydrophobicContact CG1-CG 4.29Å; V560-L564 WeakPolarHBondContact O-CB 3.2Å; V560-L564 PolarHBondContact O-N 3.06Å; L564-Q567 CarbonylContact O-C 3.28Å; L564-Q567 VanDerWaalsContact O-C 3.28Å; L564-Q567 PolarHBondContact O-N 3.44Å; L564-S568 WeakPolarHBondContact O-CA 3.26Å; L564-S568 PolarHBondContact O-N 3.45Å
565	S	96.5	Very high	96.6	Very high	64 Å²	64	55.5 Å²	55.5	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-43.2	172.4	-61.1	0	0	0	0	111.3	L489 R561 L563 Q567 S568	L489-S565 WeakPolarHBondContact CD2-OG 3.46Å; R561-S565 WeakPolarHBondContact O-CB 3.38Å; R561-S565 PolarHBondContact O-N 2.9Å; R561-S565 PolarHBondContact O-OG 3.43Å; L563-S565 VanDerWaalsContact C-N 3.35Å; L563-S565 PolarHBondContact O-N 2.84Å; S565-Q567 PolarHBondContact O-N 3.02Å; S565-S568 PolarHBondContact O-N 2.94Å
566	S	96.9	Very high	96.5	Very high	86 Å²	86	55.7 Å²	55.7	60%	0.601	29%	0.286	S	S	*	.	H	α-helix	trans	-65	-27.5	176.4	77.2	0	0	0	0	112.8	T562 L563	T562-S566 WeakPolarHBondContact O-CB 3.41Å; T562-S566 PolarHBondContact O-N 3.37Å; T562-S566 VanDerWaalsContact O-N 3.08Å; L563-S566 PolarHBondContact O-N 3.27Å; L563-S566 PolarHBondContact O-OG 3.14Å
567	Q	94.7	Very high	96.4	Very high	63 Å²	63	55.7 Å²	55.7	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	25	-178.6	-59.3	-63.4	-9.8	0	0	113.7	L431 L435 L563 L564 S565 K569 Q570 H571	L431-Q567 HydrophobicContact CD2-CB 4.01Å; L435-Q567 HydrophobicContact CD1-CB 4.26Å; L435-Q567 HydrophobicContact CD1-CG 3.67Å; L563-Q567 PolarHBondContact O-N 2.99Å; L563-Q567 VanDerWaalsContact O-N 3.1Å; L564-Q567 CarbonylContact O-C 3.28Å; L564-Q567 VanDerWaalsContact O-C 3.28Å; L564-Q567 PolarHBondContact O-N 3.44Å; S565-Q567 PolarHBondContact O-N 3.02Å; Q567-K569 PolarHBondContact O-N 3.08Å; Q567-K569 VanDerWaalsContact O-N 3.1Å; Q567-Q570 HydrophobicContact CB-CB 4.37Å; Q567-Q570 WeakPolarHBondContact O-CB 3.23Å; Q567-Q570 PolarHBondContact O-N 2.97Å; Q567-H571 PolarHBondContact O-N 3.23Å
568	S	94.1	Very high	96.2	Very high	60 Å²	60	54.6 Å²	54.6	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-54.6	-36	-175.2	175.7	0	0	0	0	113.5	L564 S565 K572	L564-S568 WeakPolarHBondContact O-CA 3.26Å; L564-S568 PolarHBondContact O-N 3.45Å; S565-S568 PolarHBondContact O-N 2.94Å; S568-K572 WeakPolarHBondContact O-CB 3.28Å; S568-K572 PolarHBondContact O-N 2.95Å
569	K	94.8	Very high	96	Very high	190 Å²	190	53.6 Å²	53.6	83%	0.826	27%	0.272	S	S	*	.	H	α-helix	trans	-65.6	-42	176.1	-67.2	-178.4	-177.6	175.2	0	112.6	Q567 L573	Q567-K569 PolarHBondContact O-N 3.08Å; Q567-K569 VanDerWaalsContact O-N 3.1Å; K569-L573 VanDerWaalsContact O-CB 3.32Å; K569-L573 WeakPolarHBondContact O-CB 3.32Å; K569-L573 PolarHBondContact O-N 3.16Å
570	Q	95	Very high	95.8	Very high	58 Å²	58	53.7 Å²	53.7	27%	0.271	28%	0.276	S	S	.	.	H	α-helix	trans	-68.8	-41.7	178.6	-72.7	-175.2	-10.9	0	0	111	L431 Q567 L573 L574 L593	L431-Q570 HydrophobicContact CD1-CB 4.38Å; L431-Q570 HydrophobicContact CD2-CB 4.09Å; Q567-Q570 HydrophobicContact CB-CB 4.37Å; Q567-Q570 WeakPolarHBondContact O-CB 3.23Å; Q567-Q570 PolarHBondContact O-N 2.97Å; Q570-L573 PolarHBondContact O-N 3.17Å; Q570-L574 WeakPolarHBondContact O-CB 3.45Å; Q570-L574 PolarHBondContact O-N 3.35Å; Q570-L593 HydrophobicContact CB-CD2 3.76Å; Q570-L593 HydrophobicContact CG-CD2 4.13Å
571	H	96.3	Very high	95.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-49.7	175.3	177.7	-118.6	0	0	0	111.6	F424 G428 L431 G486 Q567 L574 A575	F424-H571 AromaticContact CD1-CE1 3.62Å; F424-H571 PolarHBondContact O-NE2 3.27Å; G428-H571 PolarHBondContact N-NE2 2.82Å; L431-H571 HydrophobicContact CD2-CB 3.78Å; G486-H571 VanDerWaalsContact CA-CE1 3.48Å; G486-H571 WeakPolarHBondContact CA-CE1 3.44Å; G486-H571 PolarHBondContact O-CE1 3.22Å; G486-H571 VanDerWaalsContact O-CE1 3.28Å; Q567-H571 PolarHBondContact O-N 3.23Å; H571-L574 PolarHBondContact O-N 2.84Å; H571-A575 WeakPolarHBondContact O-CB 3.31Å; H571-A575 PolarHBondContact O-N 3.16Å
572	K	95.7	Very high	95.3	Very high	107 Å²	107	57.7 Å²	57.7	47%	0.465	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.1	-177.8	175.5	174.3	177.6	0	112.8	F424 S568 L574 A575 E576	F424-K572 HydrophobicContact CE1-CB 4.37Å; F424-K572 HydrophobicContact CE1-CG 4.33Å; F424-K572 HydrophobicContact CZ-CG 4.43Å; S568-K572 WeakPolarHBondContact O-CB 3.28Å; S568-K572 PolarHBondContact O-N 2.95Å; K572-L574 VanDerWaalsContact C-N 3.32Å; K572-L574 PolarHBondContact O-N 3.44Å; K572-A575 PolarHBondContact O-N 3.36Å; K572-E576 WeakPolarHBondContact CE-OE1 3.45Å; K572-E576 HydrophobicContact CG-CG 4.48Å; K572-E576 IonicContact NZ-OE1 3.32Å; K572-E576 WeakPolarHBondContact O-CB 3.47Å; K572-E576 WeakPolarHBondContact O-CG 3.28Å; K572-E576 PolarHBondContact O-N 2.9Å
573	L	95.3	Very high	95.1	Very high	50 Å²	50	55.5 Å²	55.5	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-42.9	178.8	-178.9	68.2	0	0	0	111.6	K569 Q570 A577 V592	K569-L573 VanDerWaalsContact O-CB 3.32Å; K569-L573 WeakPolarHBondContact O-CB 3.32Å; K569-L573 PolarHBondContact O-N 3.16Å; Q570-L573 PolarHBondContact O-N 3.17Å; L573-A577 WeakPolarHBondContact O-CB 2.87Å; L573-A577 PolarHBondContact O-N 3.12Å; L573-V592 HydrophobicContact CD2-CG1 4.34Å; L573-V592 VanDerWaalsContact CD2-O 3.28Å; L573-V592 WeakPolarHBondContact CD2-O 3.12Å; L573-V592 HydrophobicContact CG-CG1 3.99Å
574	L	96.2	Very high	95	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-43.8	177.9	-178.9	56.2	0	0	0	111.7	A427 A430 Q570 H571 K572 E576 A577 L578 L584 V589	A427-L574 HydrophobicContact CB-CB 4.18Å; A427-L574 HydrophobicContact CB-CD2 4.09Å; A427-L574 HydrophobicContact CB-CG 3.93Å; A430-L574 HydrophobicContact CB-CD2 4.08Å; Q570-L574 WeakPolarHBondContact O-CB 3.45Å; Q570-L574 PolarHBondContact O-N 3.35Å; H571-L574 PolarHBondContact O-N 2.84Å; K572-L574 VanDerWaalsContact C-N 3.32Å; K572-L574 PolarHBondContact O-N 3.44Å; L574-E576 PolarHBondContact O-N 2.9Å; L574-A577 PolarHBondContact O-N 2.9Å; L574-L578 WeakPolarHBondContact O-CG 3.47Å; L574-L578 PolarHBondContact O-N 3.04Å; L574-L584 HydrophobicContact CD1-CD1 3.82Å; L574-V589 HydrophobicContact CD1-CB 4.38Å; L574-V589 HydrophobicContact CD1-CG1 3.87Å; L574-V589 HydrophobicContact CD1-CG2 4.02Å; L574-V589 HydrophobicContact CD2-CG1 4.03Å
575	A	96	Very high	94.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-40.8	176.5	0	0	0	0	0	112.4	A423 F424 A427 H571 K572 L578 L579	A423-A575 HydrophobicContact CB-CB 4.5Å; F424-A575 HydrophobicContact CB-CB 4.44Å; F424-A575 HydrophobicContact CD1-CB 3.46Å; F424-A575 VanDerWaalsContact CD1-CB 3.46Å; F424-A575 HydrophobicContact CD2-CB 4Å; F424-A575 HydrophobicContact CE1-CB 3.56Å; F424-A575 HydrophobicContact CE2-CB 4.04Å; F424-A575 HydrophobicContact CG-CB 3.72Å; F424-A575 HydrophobicContact CZ-CB 3.84Å; A427-A575 HydrophobicContact CB-CB 3.93Å; H571-A575 WeakPolarHBondContact O-CB 3.31Å; H571-A575 PolarHBondContact O-N 3.16Å; K572-A575 PolarHBondContact O-N 3.36Å; A575-L578 PolarHBondContact O-N 3.48Å; A575-L579 WeakPolarHBondContact O-CG 3.48Å; A575-L579 PolarHBondContact O-N 3.31Å
576	E	95.2	Very high	94.7	Very high	75 Å²	75	56.8 Å²	56.8	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-66.4	-36.5	175.2	-73.6	176.2	-179.8	0	0	112.4	K572 L574 L579 H580	K572-E576 WeakPolarHBondContact CE-OE1 3.45Å; K572-E576 HydrophobicContact CG-CG 4.48Å; K572-E576 IonicContact NZ-OE1 3.32Å; K572-E576 WeakPolarHBondContact O-CB 3.47Å; K572-E576 WeakPolarHBondContact O-CG 3.28Å; K572-E576 PolarHBondContact O-N 2.9Å; L574-E576 PolarHBondContact O-N 2.9Å; E576-L579 PolarHBondContact O-N 3.45Å; E576-H580 PolarHBondContact O-N 3Å
577	A	95.5	Very high	94.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-41.8	172.7	0	0	0	0	0	111.6	L573 L574 L579 H580 F581 L584 V592	L573-A577 WeakPolarHBondContact O-CB 2.87Å; L573-A577 PolarHBondContact O-N 3.12Å; L574-A577 PolarHBondContact O-N 2.9Å; A577-L579 VanDerWaalsContact C-N 3.34Å; A577-L579 PolarHBondContact O-N 3.21Å; A577-H580 PolarHBondContact O-N 3.03Å; A577-H580 VanDerWaalsContact O-N 3.11Å; A577-F581 HydrophobicContact CB-CD2 4.28Å; A577-F581 VanDerWaalsContact O-CD2 3.29Å; A577-F581 WeakPolarHBondContact O-CD2 3.29Å; A577-F581 PolarHBondContact O-N 2.96Å; A577-L584 HydrophobicContact CB-CD1 3.9Å; A577-V592 HydrophobicContact CB-CB 4.44Å; A577-V592 HydrophobicContact CB-CG1 3.69Å; A577-V592 HydrophobicContact CB-CG2 3.86Å
578	L	95.2	Very high	94.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-40.5	175.2	-78.3	172.8	0	0	0	112.5	A423 E426 A427 V445 I447 L574 A575 H580 E582 L584	A423-L578 HydrophobicContact CB-CB 4.11Å; E426-L578 HydrophobicContact CB-CD1 4.32Å; A427-L578 HydrophobicContact CB-CD1 4.11Å; V445-L578 HydrophobicContact CB-CD2 4.45Å; V445-L578 HydrophobicContact CG1-CD1 4.5Å; V445-L578 HydrophobicContact CG1-CD2 3.88Å; V445-L578 HydrophobicContact CG2-CD1 3.83Å; V445-L578 HydrophobicContact CG2-CD2 4.03Å; I447-L578 VanDerWaalsContact CD1-O 3.3Å; I447-L578 WeakPolarHBondContact CD1-O 3.48Å; I447-L578 HydrophobicContact CG2-CB 4.19Å; I447-L578 HydrophobicContact CG2-CD1 4.42Å; L574-L578 WeakPolarHBondContact O-CG 3.47Å; L574-L578 PolarHBondContact O-N 3.04Å; A575-L578 PolarHBondContact O-N 3.48Å; L578-H580 PolarHBondContact O-N 2.98Å; L578-E582 WeakPolarHBondContact O-CA 3.47Å; L578-E582 PolarHBondContact O-N 2.85Å; L578-L584 HydrophobicContact CD2-CB 4.4Å; L578-L584 HydrophobicContact CD2-CD1 3.9Å; L578-L584 HydrophobicContact CD2-CG 4.09Å; L578-L584 HydrophobicContact CG-CD1 4.06Å
579	L	93.9	Very high	94.7	Very high	59 Å²	59	55.2 Å²	55.2	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-26.7	174.9	-80.3	174.3	0	0	0	113.5	N419 R420 A423 I447 A575 E576 A577	N419-L579 HydrophobicContact CB-CD2 4.37Å; R420-L579 HydrophobicContact CB-CD2 4.45Å; R420-L579 HydrophobicContact CG-CD1 4.3Å; A423-L579 HydrophobicContact CB-CD2 3.94Å; A423-L579 HydrophobicContact CB-CG 3.72Å; I447-L579 HydrophobicContact CD1-CD2 4.31Å; A575-L579 WeakPolarHBondContact O-CG 3.48Å; A575-L579 PolarHBondContact O-N 3.31Å; E576-L579 PolarHBondContact O-N 3.45Å; A577-L579 VanDerWaalsContact C-N 3.34Å; A577-L579 PolarHBondContact O-N 3.21Å
580	H	92.6	Very high	94.7	Very high	95 Å²	95	49.9 Å²	49.9	44%	0.44	25%	0.245	S	C	.	.	H	α-helix	trans	-93.1	-46.5	-179.2	-176.2	61.7	0	0	0	113.1	E576 A577 L578 P599 P600	E576-H580 PolarHBondContact O-N 3Å; A577-H580 PolarHBondContact O-N 3.03Å; A577-H580 VanDerWaalsContact O-N 3.11Å; L578-H580 PolarHBondContact O-N 2.98Å; H580-P599 HydrophobicContact CB-CB 3.89Å; H580-P600 VanDerWaalsContact CD2-CD 3.46Å; H580-P600 WeakPolarHBondContact CD2-CD 3.42Å; H580-P600 WeakPolarHBondContact NE2-CD 3.49Å
581	F	93.2	Very high	94.7	Very high	71 Å²	71	48.3 Å²	48.3	31%	0.311	24%	0.242	S	C	.	.	H	α-helix	trans	-93	-12.9	-174.9	-63.7	-69	0	0	0	113.4	A577 T583 L584 M597	A577-F581 HydrophobicContact CB-CD2 4.28Å; A577-F581 VanDerWaalsContact O-CD2 3.29Å; A577-F581 WeakPolarHBondContact O-CD2 3.29Å; A577-F581 PolarHBondContact O-N 2.96Å; F581-T583 PolarHBondContact O-N 2.89Å; F581-L584 HydrophobicContact CB-CD2 3.82Å; F581-L584 HydrophobicContact CB-CG 4.42Å; F581-L584 HydrophobicContact CD2-CD2 3.94Å; F581-L584 HydrophobicContact CG-CD2 4.09Å; F581-M597 HydrophobicContact CD1-CE 3.8Å; F581-M597 HydrophobicContact CD2-CE 3.66Å; F581-M597 HydrophobicContact CE1-CE 3.63Å; F581-M597 HydrophobicContact CE2-CE 3.49Å; F581-M597 VanDerWaalsContact CE2-CE 3.49Å; F581-M597 HydrophobicContact CE2-CG 4.17Å; F581-M597 HydrophobicContact CG-CE 3.82Å; F581-M597 HydrophobicContact CZ-CE 3.47Å; F581-M597 VanDerWaalsContact CZ-CE 3.47Å; F581-M597 HydrophobicContact CZ-CG 4.22Å
582	E	92.3	Very high	94.6	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	24%	0.242	S	C	.	.	S	Bend	trans	63.3	-36.8	-176.6	-55	-179.1	151.2	0	0	115.3	T446 I447 I448 L578	T446-E582 CarbonylContact C-O 3.54Å; T446-E582 VanDerWaalsContact CA-O 3.3Å; T446-E582 WeakPolarHBondContact CA-O 3.28Å; T446-E582 PolarHBondContact OG1-O 3.29Å; I447-E582 HydrophobicContact CG1-CB 4.25Å; I447-E582 WeakPolarHBondContact CG1-O 3.48Å; I447-E582 PolarHBondContact N-O 3.42Å; I448-E582 HydrophobicContact CD1-CB 4.4Å; I448-E582 HydrophobicContact CG1-CB 4.07Å; L578-E582 WeakPolarHBondContact O-CA 3.47Å; L578-E582 PolarHBondContact O-N 2.85Å
583	T	93.1	Very high	94.5	Very high	48 Å²	48	44.9 Å²	44.9	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.4	179.5	-57.4	0	0	0	0	109.9	V445 T446 I448 F581	V445-T583 CarbonylContact O-C 3.51Å; V445-T583 WeakPolarHBondContact O-CA 3.25Å; T446-T583 WeakPolarHBondContact CB-OG1 3.46Å; T446-T583 PolarHBondContact OG1-OG1 2.97Å; I448-T583 WeakPolarHBondContact CD1-OG1 3.46Å; F581-T583 PolarHBondContact O-N 2.89Å
584	L	95.3	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.4	176.1	-63	169.5	0	0	0	109.8	K444 V445 L574 A577 L578 F581 E588 V589 V592 M597	K444-L584 CarbonylContact C-O 3.41Å; K444-L584 VanDerWaalsContact CA-O 3.25Å; K444-L584 WeakPolarHBondContact CA-O 3.37Å; K444-L584 WeakPolarHBondContact CB-O 3.49Å; V445-L584 HydrophobicContact CG1-CB 4.09Å; V445-L584 PolarHBondContact N-O 3.47Å; V445-L584 PolarHBondContact O-N 3.49Å; L574-L584 HydrophobicContact CD1-CD1 3.82Å; A577-L584 HydrophobicContact CB-CD1 3.9Å; L578-L584 HydrophobicContact CD2-CB 4.4Å; L578-L584 HydrophobicContact CD2-CD1 3.9Å; L578-L584 HydrophobicContact CD2-CG 4.09Å; L578-L584 HydrophobicContact CG-CD1 4.06Å; F581-L584 HydrophobicContact CB-CD2 3.82Å; F581-L584 HydrophobicContact CB-CG 4.42Å; F581-L584 HydrophobicContact CD2-CD2 3.94Å; F581-L584 HydrophobicContact CG-CD2 4.09Å; L584-E588 HydrophobicContact CB-CB 4.32Å; L584-E588 HydrophobicContact CD2-CB 4Å; L584-V589 HydrophobicContact CB-CG2 3.69Å; L584-V589 HydrophobicContact CD1-CG2 4.44Å; L584-V592 HydrophobicContact CD1-CG2 4.36Å; L584-M597 HydrophobicContact CD2-CE 3.82Å
585	T	94	Very high	94	Very high	58 Å²	58	47.1 Å²	47.1	36%	0.356	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	163.6	169.1	60.7	0	0	0	0	111.2	D587 E588 V589	T585-D587 PolarHBondContact O-N 3.26Å; T585-E588 WeakPolarHBondContact CB-OE2 3.3Å; T585-E588 WeakPolarHBondContact CG2-OE2 3.31Å; T585-E588 PolarHBondContact N-OE2 3.32Å; T585-E588 PolarHBondContact O-N 3.02Å; T585-E588 VanDerWaalsContact O-N 3.11Å; T585-E588 VanDerWaalsContact OG1-CD 3.24Å; T585-E588 VanDerWaalsContact OG1-CG 3.31Å; T585-E588 WeakPolarHBondContact OG1-CG 3.39Å; T585-E588 PolarHBondContact OG1-N 3.26Å; T585-E588 PolarHBondContact OG1-OE2 2.72Å; T585-V589 WeakPolarHBondContact O-CG2 3.43Å; T585-V589 PolarHBondContact O-N 3.26Å
586	K	93.8	Very high	93.6	Very high	69 Å²	69	55.9 Å²	55.9	30%	0.3	30%	0.295	S	S	.	.	H	α-helix	trans	-46.5	-48.1	175.1	-174.9	-166.2	-177	177.1	0	112.6	L442 H443 V589 L590	L442-K586 WeakPolarHBondContact O-CB 3.18Å; L442-K586 VanDerWaalsContact O-CD 3.29Å; L442-K586 WeakPolarHBondContact O-CD 3.35Å; L442-K586 WeakPolarHBondContact O-CG 3.29Å; H443-K586 PolarHBondContact O-N 3.49Å; K586-V589 PolarHBondContact O-N 3.36Å; K586-L590 HydrophobicContact CG-CD1 4.38Å; K586-L590 WeakPolarHBondContact O-CG 3.44Å; K586-L590 PolarHBondContact O-N 3.41Å
587	D	93.7	Very high	93.2	Very high	106 Å²	106	54.3 Å²	54.3	57%	0.567	29%	0.288	S	S	*	.	H	α-helix	trans	-68.6	-37.5	-176.2	-59.4	-39	0	0	0	111.7	T585 L590 A591	T585-D587 PolarHBondContact O-N 3.26Å; D587-L590 PolarHBondContact O-N 3.34Å; D587-A591 WeakPolarHBondContact O-CB 3.27Å; D587-A591 PolarHBondContact O-N 2.95Å
588	E	95.4	Very high	92.4	Very high	70 Å²	70	61.2 Å²	61.2	33%	0.327	32%	0.318	S	S	.	.	H	α-helix	trans	-68.5	-39.6	173.7	-68.9	164.7	146.9	0	0	111.7	L584 T585 L590 A591 V592 M597	L584-E588 HydrophobicContact CB-CB 4.32Å; L584-E588 HydrophobicContact CD2-CB 4Å; T585-E588 WeakPolarHBondContact CB-OE2 3.3Å; T585-E588 WeakPolarHBondContact CG2-OE2 3.31Å; T585-E588 PolarHBondContact N-OE2 3.32Å; T585-E588 PolarHBondContact O-N 3.02Å; T585-E588 VanDerWaalsContact O-N 3.11Å; T585-E588 VanDerWaalsContact OG1-CD 3.24Å; T585-E588 VanDerWaalsContact OG1-CG 3.31Å; T585-E588 WeakPolarHBondContact OG1-CG 3.39Å; T585-E588 PolarHBondContact OG1-N 3.26Å; T585-E588 PolarHBondContact OG1-OE2 2.72Å; E588-L590 PolarHBondContact O-N 2.96Å; E588-A591 CarbonylContact O-C 3.6Å; E588-A591 WeakPolarHBondContact O-CB 3.26Å; E588-A591 PolarHBondContact O-N 3.48Å; E588-V592 VanDerWaalsContact O-CG2 3.3Å; E588-V592 WeakPolarHBondContact O-CG2 3.13Å; E588-V592 PolarHBondContact O-N 3.13Å; E588-M597 HydrophobicContact CB-SD 4.01Å; E588-M597 HydrophobicContact CG-SD 4.12Å
589	V	95.5	Very high	91.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-47.6	173	173.5	0	0	0	0	110.1	L434 L442 V445 L574 L584 T585 K586 A591 V592 L593	L434-V589 HydrophobicContact CD1-CG1 3.54Å; L442-V589 HydrophobicContact CD2-CB 4.23Å; L442-V589 HydrophobicContact CD2-CG1 4.1Å; L442-V589 HydrophobicContact CD2-CG2 4.12Å; V445-V589 HydrophobicContact CG1-CG2 3.65Å; L574-V589 HydrophobicContact CD1-CB 4.38Å; L574-V589 HydrophobicContact CD1-CG1 3.87Å; L574-V589 HydrophobicContact CD1-CG2 4.02Å; L574-V589 HydrophobicContact CD2-CG1 4.03Å; L584-V589 HydrophobicContact CB-CG2 3.69Å; L584-V589 HydrophobicContact CD1-CG2 4.44Å; T585-V589 WeakPolarHBondContact O-CG2 3.43Å; T585-V589 PolarHBondContact O-N 3.26Å; K586-V589 PolarHBondContact O-N 3.36Å; V589-A591 VanDerWaalsContact C-N 3.3Å; V589-A591 PolarHBondContact O-N 3.34Å; V589-V592 PolarHBondContact O-N 2.89Å; V589-L593 HydrophobicContact CG1-CD1 4.01Å; V589-L593 HydrophobicContact CG1-CG 4.37Å; V589-L593 WeakPolarHBondContact O-CB 3.41Å; V589-L593 VanDerWaalsContact O-CG 3.28Å; V589-L593 WeakPolarHBondContact O-CG 3.24Å; V589-L593 PolarHBondContact O-N 2.95Å
590	L	95.6	Very high	90.1	Very high	78 Å²	78	63.7 Å²	63.7	41%	0.408	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-38.1	175.7	-69	174.5	0	0	0	111.9	L434 K586 D587 E588 L593 A594	L434-L590 HydrophobicContact CD1-CD2 4.48Å; L434-L590 HydrophobicContact CD2-CD2 4.33Å; K586-L590 HydrophobicContact CG-CD1 4.38Å; K586-L590 WeakPolarHBondContact O-CG 3.44Å; K586-L590 PolarHBondContact O-N 3.41Å; D587-L590 PolarHBondContact O-N 3.34Å; E588-L590 PolarHBondContact O-N 2.96Å; L590-L593 PolarHBondContact O-N 2.83Å; L590-A594 VanDerWaalsContact O-CB 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.41Å; L590-A594 PolarHBondContact O-N 2.9Å
591	A	95.3	Very high	88.2	Confident	25 Å²	25	68.5 Å²	68.5	21%	0.207	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-38	175.8	0	0	0	0	0	112.7	D587 E588 V589 G595 K596 M597	D587-A591 WeakPolarHBondContact O-CB 3.27Å; D587-A591 PolarHBondContact O-N 2.95Å; E588-A591 CarbonylContact O-C 3.6Å; E588-A591 WeakPolarHBondContact O-CB 3.26Å; E588-A591 PolarHBondContact O-N 3.48Å; V589-A591 VanDerWaalsContact C-N 3.3Å; V589-A591 PolarHBondContact O-N 3.34Å; A591-G595 PolarHBondContact O-N 2.57Å; A591-G595 VanDerWaalsContact O-N 3.16Å; A591-K596 HydrophobicContact CB-CB 4.38Å; A591-K596 PolarHBondContact O-N 3.27Å; A591-M597 HydrophobicContact CB-CB 4.03Å; A591-M597 PolarHBondContact O-N 2.85Å
592	V	94.3	Very high	85.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-49	173.3	168.6	0	0	0	0	110.2	L573 A577 L584 E588 V589 A594 G595 M597	L573-V592 HydrophobicContact CD2-CG1 4.34Å; L573-V592 VanDerWaalsContact CD2-O 3.28Å; L573-V592 WeakPolarHBondContact CD2-O 3.12Å; L573-V592 HydrophobicContact CG-CG1 3.99Å; A577-V592 HydrophobicContact CB-CB 4.44Å; A577-V592 HydrophobicContact CB-CG1 3.69Å; A577-V592 HydrophobicContact CB-CG2 3.86Å; L584-V592 HydrophobicContact CD1-CG2 4.36Å; E588-V592 VanDerWaalsContact O-CG2 3.3Å; E588-V592 WeakPolarHBondContact O-CG2 3.13Å; E588-V592 PolarHBondContact O-N 3.13Å; V589-V592 PolarHBondContact O-N 2.89Å; V592-A594 VanDerWaalsContact C-N 3.29Å; V592-A594 PolarHBondContact O-N 3.41Å; V592-G595 WeakPolarHBondContact O-CA 3.4Å; V592-G595 PolarHBondContact O-N 3.4Å; V592-M597 WeakPolarHBondContact CA-O 3.13Å; V592-M597 HydrophobicContact CG2-CB 3.94Å; V592-M597 HydrophobicContact CG2-CG 4.01Å; V592-M597 HydrophobicContact CG2-SD 4.18Å
593	L	93.3	Very high	83	Confident	35 Å²	35	74.6 Å²	74.6	18%	0.183	40%	0.396	C	S	.	.	H	α-helix	trans	-63.5	-33.8	179	-67.2	177.5	0	0	0	112.6	L431 L434 Q570 V589 L590 G595	L431-L593 HydrophobicContact CD1-CD1 4.1Å; L431-L593 HydrophobicContact CD1-CD2 4.28Å; L434-L593 HydrophobicContact CD1-CD1 3.84Å; Q570-L593 HydrophobicContact CB-CD2 3.76Å; Q570-L593 HydrophobicContact CG-CD2 4.13Å; V589-L593 HydrophobicContact CG1-CD1 4.01Å; V589-L593 HydrophobicContact CG1-CG 4.37Å; V589-L593 WeakPolarHBondContact O-CB 3.41Å; V589-L593 VanDerWaalsContact O-CG 3.28Å; V589-L593 WeakPolarHBondContact O-CG 3.24Å; V589-L593 PolarHBondContact O-N 2.95Å; L590-L593 PolarHBondContact O-N 2.83Å; L593-G595 PolarHBondContact O-N 3.44Å
594	A	93	Very high	80.1	Confident	68 Å²	68	76.7 Å²	76.7	56%	0.562	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.5	172.4	0	0	0	0	0	113.7	L590 V592 K596	L590-A594 VanDerWaalsContact O-CB 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.41Å; L590-A594 PolarHBondContact O-N 2.9Å; V592-A594 VanDerWaalsContact C-N 3.29Å; V592-A594 PolarHBondContact O-N 3.41Å; A594-K596 VanDerWaalsContact C-N 3.26Å; A594-K596 HydrophobicContact CB-CD 4.49Å; A594-K596 HydrophobicContact CB-CG 4.26Å; A594-K596 PolarHBondContact O-N 3.1Å
595	G	88.6	Confident	77.3	Confident	29 Å²	29	83.3 Å²	83.3	30%	0.299	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	13.2	-178.5	0	0	0	0	0	115.2	A591 V592 L593 K598	A591-G595 PolarHBondContact O-N 2.57Å; A591-G595 VanDerWaalsContact O-N 3.16Å; V592-G595 WeakPolarHBondContact O-CA 3.4Å; V592-G595 PolarHBondContact O-N 3.4Å; L593-G595 PolarHBondContact O-N 3.44Å; G595-K598 VanDerWaalsContact O-CE 3.23Å; G595-K598 WeakPolarHBondContact O-CE 3.48Å
596	K	86.9	Confident	74.3	Confident	184 Å²	184	85.9 Å²	85.9	80%	0.8	47%	0.469	S	S	*	.	S	Bend	trans	-78.2	-30.8	176.4	-65.1	-178.6	-179.7	177.9	0	112.1	A591 A594	A591-K596 HydrophobicContact CB-CB 4.38Å; A591-K596 PolarHBondContact O-N 3.27Å; A594-K596 VanDerWaalsContact C-N 3.26Å; A594-K596 HydrophobicContact CB-CD 4.49Å; A594-K596 HydrophobicContact CB-CG 4.26Å; A594-K596 PolarHBondContact O-N 3.1Å
597	M	86.5	Confident	71.5	Confident	42 Å²	42	87.9 Å²	87.9	21%	0.207	49%	0.491	C	S	.	.	S	Bend	trans	-113.6	119	174.6	-174.8	171.9	173	0	0	107.8	F581 L584 E588 A591 V592	F581-M597 HydrophobicContact CD1-CE 3.8Å; F581-M597 HydrophobicContact CD2-CE 3.66Å; F581-M597 HydrophobicContact CE1-CE 3.63Å; F581-M597 HydrophobicContact CE2-CE 3.49Å; F581-M597 VanDerWaalsContact CE2-CE 3.49Å; F581-M597 HydrophobicContact CE2-CG 4.17Å; F581-M597 HydrophobicContact CG-CE 3.82Å; F581-M597 HydrophobicContact CZ-CE 3.47Å; F581-M597 VanDerWaalsContact CZ-CE 3.47Å; F581-M597 HydrophobicContact CZ-CG 4.22Å; L584-M597 HydrophobicContact CD2-CE 3.82Å; E588-M597 HydrophobicContact CB-SD 4.01Å; E588-M597 HydrophobicContact CG-SD 4.12Å; A591-M597 HydrophobicContact CB-CB 4.03Å; A591-M597 PolarHBondContact O-N 2.85Å; V592-M597 WeakPolarHBondContact CA-O 3.13Å; V592-M597 HydrophobicContact CG2-CB 3.94Å; V592-M597 HydrophobicContact CG2-CG 4.01Å; V592-M597 HydrophobicContact CG2-SD 4.18Å
598	K	79.4	Confident	68.6	Low	146 Å²	146	92 Å²	92	64%	0.635	50%	0.504	S	S	*	.			trans	-124.1	139.1	178	-66.5	-176.8	-176.8	175.1	0	108.9	G595	G595-K598 VanDerWaalsContact O-CE 3.23Å; G595-K598 WeakPolarHBondContact O-CE 3.48Å
599	P	72.3	Confident	65.6	Low	29 Å²	29	93.7 Å²	93.7	19%	0.188	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-57.1	141.9	164.4	26.3	-32.1	0	0	0	108	H580 K601	H580-P599 HydrophobicContact CB-CB 3.89Å; P599-K601 PolarHBondContact O-N 3.49Å
600	P	68.4	Low	62.7	Low	82 Å²	82	99.6 Å²	99.6	53%	0.532	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-54	131.6	172.1	23.2	-29.5	0	0	0	107.5	H580 T602	H580-P600 VanDerWaalsContact CD2-CD 3.46Å; H580-P600 WeakPolarHBondContact CD2-CD 3.42Å; H580-P600 WeakPolarHBondContact NE2-CD 3.49Å; P600-T602 PolarHBondContact O-N 2.85Å
601	K	53.2	Low	59.8	Low	196 Å²	196	101.5 Å²	101.5	85%	0.852	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-54.3	118.9	172.5	-70.7	-177.4	179.1	-179.8	0	106	P599 Q603	P599-K601 PolarHBondContact O-N 3.49Å; K601-Q603 VanDerWaalsContact C-N 3.33Å; K601-Q603 PolarHBondContact O-N 2.93Å
602	T	43.3	Very low	57	Low	131 Å²	131	107 Å²	107	80%	0.804	60%	0.6	S	S	*	*			trans	-45.9	103.3	172.1	-52	0	0	0	0	107.1	P600 S604	P600-T602 PolarHBondContact O-N 2.85Å; T602-S604 PolarHBondContact O-N 2.65Å
603	Q	33	Very low	54.4	Low	171 Å²	171	114.3 Å²	114.3	80%	0.799	64%	0.638	S	S	*	*			trans	-61.5	114.3	163.1	-70.7	-175.3	7.4	0	0	102.6	K601 V605	K601-Q603 VanDerWaalsContact C-N 3.33Å; K601-Q603 PolarHBondContact O-N 2.93Å; Q603-V605 PolarHBondContact O-N 2.95Å
604	S	31.3	Very low	51.8	Low	92 Å²	92	118.1 Å²	118.1	64%	0.643	67%	0.665	S	S	*	*			trans	-41.6	113	168.1	48.8	0	0	0	0	105.9	T602 T606	T602-S604 PolarHBondContact O-N 2.65Å; S604-T606 PolarHBondContact O-N 3.1Å; S604-T606 PolarHBondContact O-OG1 3.43Å
605	V	35.7	Very low	49.1	Very low	138 Å²	138	123.4 Å²	123.4	84%	0.836	68%	0.678	S	S	*	*			trans	-53.9	96.9	-179.7	176.9	0	0	0	0	105.3	Q603 S607	Q603-V605 PolarHBondContact O-N 2.95Å; V605-S607 PolarHBondContact O-N 2.94Å; V605-S607 VanDerWaalsContact O-N 3.14Å
606	T	30.9	Very low	46.8	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	71%	0.706	S	S	*	*			trans	-77.3	107.6	173	-5.7	0	0	0	0	101.5	S604 K608	S604-T606 PolarHBondContact O-N 3.1Å; S604-T606 PolarHBondContact O-OG1 3.43Å; T606-K608 PolarHBondContact O-N 3.33Å
607	S	36.2	Very low	44.4	Very low	111 Å²	111	124 Å²	124	78%	0.776	70%	0.696	S	S	*	*			trans	-51.5	82.4	179.2	43.8	0	0	0	0	111.2	V605	V605-S607 PolarHBondContact O-N 2.94Å; V605-S607 VanDerWaalsContact O-N 3.14Å
608	K	32.6	Very low	42.3	Very low	193 Å²	193	128.3 Å²	128.3	84%	0.839	73%	0.727	S	S	*	*			trans	-144.1	122.8	168	-73.1	-164.4	177.7	179.5	0	111.7	T606	T606-K608 PolarHBondContact O-N 3.33Å
609	S	31.6	Very low	40.4	Very low	104 Å²	104	126.6 Å²	126.6	73%	0.727	73%	0.733	S	S	*	*			trans	80.8	80.3	162.8	-145.5	0	0	0	0	117	T611	S609-T611 VanDerWaalsContact C-N 3.27Å; S609-T611 PolarHBondContact O-N 3.24Å
610	T	34.4	Very low	38.9	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	76%	0.763	S	S	*	*			trans	-45	91.7	145.6	-47.3	0	0	0	0	109.8	L612	T610-L612 HydrophobicContact CG2-CD2 4.08Å; T610-L612 HydrophobicContact CG2-CG 4.05Å; T610-L612 PolarHBondContact O-N 3.1Å
611	T	35.6	Very low	37.4	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.724	77%	0.773	S	S	*	*			trans	-87	98.3	159.4	-51	0	0	0	0	105.2	S609 L613	S609-T611 VanDerWaalsContact C-N 3.27Å; S609-T611 PolarHBondContact O-N 3.24Å; T611-L613 PolarHBondContact O-N 2.69Å
612	L	37.4	Very low	36.9	Very low	139 Å²	139	128.8 Å²	128.8	73%	0.728	77%	0.768	S	S	*	*			trans	-55.4	105.2	172.9	-71.2	162.4	0	0	0	108.2	T610	T610-L612 HydrophobicContact CG2-CD2 4.08Å; T610-L612 HydrophobicContact CG2-CG 4.05Å; T610-L612 PolarHBondContact O-N 3.1Å
613	L	38.3	Very low	36.7	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	77%	0.768	S	S	*	*			trans	-64.3	140.3	159.6	-84.2	157.1	0	0	0	107.7	T611 Q615	T611-L613 PolarHBondContact O-N 2.69Å; L613-Q615 PolarHBondContact O-N 3.44Å
614	P	38.4	Very low	37.1	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	77%	0.767	S	S	*	*			trans	-60.9	126.7	-170	-19.1	30.7	0	0	0	110.9	L616	P614-L616 PolarHBondContact O-N 3.22Å
615	Q	38.2	Very low	37.5	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	77%	0.774	S	S	*	*			trans	-54.1	110.2	167.9	-66.5	-93	-3.6	0	0	107.7	L613 G617	L613-Q615 PolarHBondContact O-N 3.44Å; Q615-G617 PolarHBondContact O-N 3.08Å; Q615-G617 VanDerWaalsContact O-N 3.1Å
616	L	38.3	Very low	38.4	Very low	170 Å²	170	136.9 Å²	136.9	89%	0.89	79%	0.794	S	S	*	*			trans	-57.2	116.1	163.2	-85.1	135.8	0	0	0	106.5	P614	P614-L616 PolarHBondContact O-N 3.22Å
617	G	37.9	Very low	38.8	Very low	57 Å²	57	138.1 Å²	138.1	59%	0.588	80%	0.799	S	S	*	*			trans	-54.2	158.3	-179.7	0	0	0	0	0	112.1	Q615 S619	Q615-G617 PolarHBondContact O-N 3.08Å; Q615-G617 VanDerWaalsContact O-N 3.1Å; G617-S619 PolarHBondContact O-N 2.96Å
618	P	41.7	Very low	38.9	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	80%	0.8	S	S	*	*			trans	-59	113.4	-169.7	23.5	-32.4	0	0	0	110.6	T620	P618-T620 PolarHBondContact O-N 2.93Å; P618-T620 VanDerWaalsContact O-N 3.12Å
619	S	40.7	Very low	39.3	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	80%	0.798	S	S	*	*			trans	-65.2	109.4	165.5	58	0	0	0	0	107.5	G617 S621	G617-S619 PolarHBondContact O-N 2.96Å; S619-S621 PolarHBondContact O-N 3.09Å; S619-S621 VanDerWaalsContact O-N 3.11Å
620	T	39.4	Very low	39.7	Very low	133 Å²	133	138.4 Å²	138.4	82%	0.816	80%	0.802	S	S	*	*			trans	-56.6	113.3	171.8	46.6	0	0	0	0	109.3	P618	P618-T620 PolarHBondContact O-N 2.93Å; P618-T620 VanDerWaalsContact O-N 3.12Å
621	S	38.2	Very low	40	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	80%	0.804	S	S	*	*			trans	-56.6	129.9	167.9	-35	0	0	0	0	108.7	S619 E623	S619-S621 PolarHBondContact O-N 3.09Å; S619-S621 VanDerWaalsContact O-N 3.11Å; S621-E623 PolarHBondContact O-N 2.65Å
622	P	41.3	Very low	40.3	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	81%	0.809	S	S	*	*			trans	-67.8	125.1	176.5	26.2	-31	0	0	0	109.7	I624	P622-I624 PolarHBondContact O-N 3.25Å; P622-I624 VanDerWaalsContact O-N 3.16Å
623	E	38.8	Very low	40.5	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	82%	0.815	S	S	*	*			trans	-61.5	111.4	169.5	-77.1	178.6	152.6	0	0	109	S621 H625	S621-E623 PolarHBondContact O-N 2.65Å; E623-H625 PolarHBondContact O-N 2.89Å
624	I	42.7	Very low	40.7	Very low	153 Å²	153	139.7 Å²	139.7	79%	0.785	82%	0.816	S	S	*	*			trans	-80	101.2	167.8	-61.6	168.9	0	0	0	105.7	P622 V626	P622-I624 PolarHBondContact O-N 3.25Å; P622-I624 VanDerWaalsContact O-N 3.16Å; I624-V626 PolarHBondContact O-N 2.98Å
625	H	39.6	Very low	40.9	Very low	169 Å²	169	141.8 Å²	141.8	78%	0.782	82%	0.821	S	S	*	*			trans	-65.2	115.8	163.3	-84	-72.4	0	0	0	108.2	E623	E623-H625 PolarHBondContact O-N 2.89Å
626	V	54.1	Low	41.2	Very low	207 Å²	207	138.5 Å²	138.5	100%	1.255	82%	0.82	S	S	*	*			trans	-62.6	0	171.1	177.3	0	0	0	0	110.6	I624	I624-V626 PolarHBondContact O-N 2.98Å

Retrieved 626 of 626 residues in 366.1 ms (Link to these results)

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