A0A087YFX9_POEFO Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A087YFX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 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	31.8	Very low	30.1	Very low	241 Å²	241	160.6 Å²	160.6	100%	1.187	85%	0.852	S	S	*	*				0	124	0	-84	179.7	176.6	0	0	108.6
2	R	30.8	Very low	30.1	Very low	226 Å²	226	163.2 Å²	163.2	85%	0.853	86%	0.855	S	S	*	*			trans	52	135.7	156.9	-65.2	-174.3	180	-173.4	-0.3	119.2
3	Q	31.3	Very low	30	Very low	138 Å²	138	160 Å²	160	65%	0.645	85%	0.851	S	S	*	*			cis	-175.6	145	-6.6	-119.6	179	-10.1	0	0	107.3
4	Q	32	Very low	29.8	Very low	173 Å²	173	163.2 Å²	163.2	81%	0.808	85%	0.854	S	S	*	*			trans	62.3	143.2	142.3	-65.8	169.5	2.1	0	0	119.9
5	G	30.8	Very low	29.6	Very low	77 Å²	77	168.8 Å²	168.8	79%	0.794	86%	0.859	S	S	*	*			cis	174.6	154.1	7.7	0	0	0	0	0	110.3
6	N	30.3	Very low	29.3	Very low	168 Å²	168	173.9 Å²	173.9	90%	0.898	86%	0.864	S	S	*	*			trans	-52.3	150.7	-176.6	-83	-23.6	0	0	0	117.6
7	C	29.8	Very low	29	Very low	130 Å²	130	169.6 Å²	169.6	88%	0.878	86%	0.862	S	S	*	*				-176	141.2	105.3	-119.8	0	0	0	0	113.5
8	G	28	Very low	28.7	Very low	62 Å²	62	168.2 Å²	168.2	64%	0.639	86%	0.863	S	S	*	*			trans	-71.3	167.8	175.6	0	0	0	0	0	114.1
9	T	30.1	Very low	28.4	Very low	144 Å²	144	165.5 Å²	165.5	88%	0.883	86%	0.859	S	S	*	*				-171.9	145	75.8	33	0	0	0	0	112.4
10	N	28.2	Very low	28.1	Very low	157 Å²	157	168.6 Å²	168.6	84%	0.84	86%	0.861	S	S	*	*			trans	-2.2	129.2	162.6	-73.7	-19.5	0	0	0	121.5
11	R	28.3	Very low	27.8	Very low	251 Å²	251	166 Å²	166	95%	0.947	86%	0.857	S	S	*	*				-165.3	146.5	112.2	-100.8	172.5	-171	-167.5	3.4	111.9
12	E	29.5	Very low	27.5	Very low	191 Å²	191	159.8 Å²	159.8	89%	0.893	84%	0.843	S	S	*	*			trans	-56.4	166.1	-164.1	-75.3	178.3	147.2	0	0	120
13	P	29.8	Very low	27.2	Very low	122 Å²	122	154.2 Å²	154.2	79%	0.792	84%	0.839	S	S	*	*			trans	-96.8	140.9	-168.8	36.9	-30.2	0	0	0	113.9
14	K	27	Very low	27	Very low	205 Å²	205	155 Å²	155	89%	0.891	85%	0.846	S	S	*	*			trans	-131.5	109.8	158	-83.7	-175.5	-179.8	174.2	0	111.3
15	R	26.4	Very low	26.7	Very low	247 Å²	247	155.5 Å²	155.5	93%	0.932	85%	0.853	S	S	*	*			trans	54.1	96.5	143	-61.2	-175.7	177.4	-160.5	-1.6	117.9
16	R	25.1	Very low	26.5	Very low	251 Å²	251	154.6 Å²	154.6	95%	0.947	84%	0.844	S	S	*	*			trans	-125.3	122.3	140.8	-93.8	-175.3	175.1	178.1	-1	108.2
17	A	23	Very low	26.4	Very low	100 Å²	100	152.7 Å²	152.7	83%	0.826	84%	0.844	S	S	*	*			trans	-178.2	83.9	147.6	0	0	0	0	0	109.1
18	V	24	Very low	26.4	Very low	144 Å²	144	152.6 Å²	152.6	87%	0.873	84%	0.842	S	S	*	*			trans	-142.9	100.5	146.3	-177.1	0	0	0	0	106.2
19	C	23	Very low	27.3	Very low	118 Å²	118	154.8 Å²	154.8	80%	0.797	85%	0.845	S	S	*	*			trans	-168.1	155.4	154.2	-102	0	0	0	0	110.4
20	Y	22.6	Very low	27.6	Very low	226 Å²	226	153.6 Å²	153.6	89%	0.886	84%	0.839	S	S	*	*			trans	91.7	107.2	-168.4	-70.2	-83.7	0	0	0	112.5
21	C	22.8	Very low	28	Very low	116 Å²	116	151 Å²	151	78%	0.784	83%	0.832	S	S	*	*			cis	-148.7	136.7	20.5	-83.2	0	0	0	0	110.8
22	A	24.3	Very low	28.1	Very low	109 Å²	109	145.6 Å²	145.6	90%	0.901	83%	0.826	S	S	*	*			trans	-173.2	103.1	140.5	0	0	0	0	0	109.6
23	S	25.1	Very low	28.2	Very low	109 Å²	109	140 Å²	140	76%	0.762	82%	0.82	S	S	*	*			trans	-115.3	108.9	166.5	48.6	0	0	0	0	109.5
24	I	26.6	Very low	28.2	Very low	154 Å²	154	146.5 Å²	146.5	79%	0.79	83%	0.829	S	S	*	*				54.3	113.1	129.6	-53.4	173.4	0	0	0	118.8
25	L	26.3	Very low	28.5	Very low	184 Å²	184	143.2 Å²	143.2	96%	0.963	83%	0.83	S	S	*	*				-138.9	128.8	119.5	-71.3	172.5	0	0	0	105.1
26	G	26.7	Very low	28.7	Very low	59 Å²	59	137 Å²	137	61%	0.608	82%	0.824	S	S	*	*			cis	151.3	138.1	6.9	0	0	0	0	0	108.6
27	S	27.8	Very low	29.1	Very low	127 Å²	127	129.7 Å²	129.7	89%	0.888	81%	0.812	S	S	*	*			trans	75.2	156.7	178	-62.9	0	0	0	0	120
28	P	29.9	Very low	29.4	Very low	128 Å²	128	132.6 Å²	132.6	83%	0.831	81%	0.813	S	S	*	*			trans	-130.1	-117.7	-159	37.9	-12.1	0	0	0	116.9
29	P	47	Very low	29.8	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	81%	0.813	S	S	*	*			trans	-120.4	176.2	-149.4	42	-21	0	0	0	114.7
30	P	36	Very low	30.2	Very low	118 Å²	118	138.1 Å²	138.1	77%	0.766	81%	0.812	S	S	*	*				-155.2	-153.8	60.7	38.7	-11.5	0	0	0	114.5
31	P	36.8	Very low	30.8	Very low	104 Å²	104	138.7 Å²	138.7	68%	0.675	81%	0.813	S	S	*	*				-123	-178.5	-70.6	36	-18.6	0	0	0	113.2
32	T	29.8	Very low	31.2	Very low	137 Å²	137	137.8 Å²	137.8	84%	0.84	81%	0.807	S	S	*	*			trans	82.3	88.2	161.7	66.6	0	0	0	0	119.5
33	G	31.7	Very low	31.4	Very low	74 Å²	74	136.2 Å²	136.2	76%	0.763	79%	0.794	S	S	*	*				61.4	99.3	118.7	0	0	0	0	0	120.6
34	R	30.5	Very low	31.7	Very low	257 Å²	257	134.5 Å²	134.5	97%	0.97	79%	0.794	S	S	*	*				-175.5	142.3	112.4	-99.6	175.4	-150.2	-148.3	5	111
35	C	32.4	Very low	31.7	Very low	136 Å²	136	135.1 Å²	135.1	92%	0.919	80%	0.798	S	S	*	*			trans	-56.8	126.9	-179.6	-68.4	0	0	0	0	114.1
36	S	31	Very low	31.8	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	79%	0.787	S	S	*	*			trans	-154.2	125.7	131.4	66.8	0	0	0	0	109.3
37	S	33.7	Very low	32	Very low	98 Å²	98	137 Å²	137	69%	0.685	80%	0.798	S	S	*	*			trans	-86.9	126.7	-162.6	48.6	0	0	0	0	112.7	W39	S37-W39 PolarHBondContact O-N 3.22Å
38	L	30.3	Very low	32.2	Very low	161 Å²	161	135.1 Å²	135.1	84%	0.843	79%	0.79	S	S	*	*	S	Bend	trans	51.7	0.4	131.4	-93.6	143	0	0	0	121.6
39	W	31.7	Very low	32.1	Very low	231 Å²	231	138.1 Å²	138.1	88%	0.875	80%	0.795	S	S	*	*	S	Bend	trans	-87.8	-32.6	177.8	-109.9	50.3	0	0	0	113	S37 R41	S37-W39 PolarHBondContact O-N 3.22Å; W39-R41 PolarHBondContact O-N 3.34Å
40	D	32.1	Very low	31.3	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-9.1	-169.7	-67.9	-32.7	0	0	0	115.5
41	R	33.6	Very low	31	Very low	238 Å²	238	139.4 Å²	139.4	90%	0.898	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-7.3	176.5	-72.2	-169.1	-168.7	-154.5	2.9	114.9	W39	W39-R41 PolarHBondContact O-N 3.34Å
42	C	31.1	Very low	30.8	Very low	98 Å²	98	138.6 Å²	138.6	66%	0.662	79%	0.791	S	S	*	*	S	Bend	trans	-94.9	-14.1	176.5	-71.7	0	0	0	0	113.6
43	A	29.6	Very low	30.8	Very low	76 Å²	76	137.2 Å²	137.2	63%	0.628	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-81	-15.4	-175.3	0	0	0	0	0	114.4
44	G	32.2	Very low	30.9	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-88.6	-1.3	-171.5	0	0	0	0	0	117.2
45	L	26.5	Very low	30.9	Very low	167 Å²	167	139 Å²	139	87%	0.874	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-112	12.4	-174.7	-107.9	140.9	0	0	0	114.2
46	I	28.6	Very low	30.9	Very low	145 Å²	145	139.8 Å²	139.8	74%	0.744	76%	0.759	S	S	*	*			trans	-124.4	56.9	179.7	-47.1	178.3	0	0	0	109.9
47	V	29.6	Very low	31.1	Very low	137 Å²	137	138.4 Å²	138.4	83%	0.83	75%	0.746	S	S	*	*	S	Bend	trans	-141.1	71.2	164.9	-170.1	0	0	0	0	109.2
48	A	32.1	Very low	31.1	Very low	88 Å²	88	138.3 Å²	138.3	73%	0.727	74%	0.741	S	S	*	*	S	Bend	trans	172.8	94.8	151.3	0	0	0	0	0	107.2
49	M	28.2	Very low	31.4	Very low	190 Å²	190	139.3 Å²	139.3	94%	0.936	73%	0.734	S	S	*	*	S	Bend	trans	165.4	124.9	147.9	-89.3	169.1	-171.8	0	0	110.4
50	D	29.4	Very low	31.8	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	71%	0.711	S	S	*	*			trans	-3.5	127.4	174.3	-165.8	11.7	0	0	0	120.1
51	T	30.4	Very low	31.9	Very low	121 Å²	121	135 Å²	135	74%	0.742	71%	0.706	S	S	*	*			trans	-101.6	10.8	-164.3	43.6	0	0	0	0	116.7
52	S	31.6	Very low	31.9	Very low	87 Å²	87	129.6 Å²	129.6	61%	0.608	69%	0.69	S	S	*	*	S	Bend	trans	-88.2	-27.9	-171.1	70.7	0	0	0	0	116.1
53	T	31.3	Very low	32.1	Very low	109 Å²	109	127.9 Å²	127.9	67%	0.669	68%	0.679	S	S	*	*	S	Bend	trans	-113.4	-10	-166.6	43.8	0	0	0	0	116.7
54	R	32.6	Very low	32.6	Very low	193 Å²	193	128.5 Å²	128.5	73%	0.728	67%	0.67	S	S	*	*			trans	-109	-0.9	-168.9	-69.3	-173.7	178.3	-172.4	1.1	117.3	F56 T57	R54-F56 PolarHBondContact O-N 3.24Å; R54-T57 PolarHBondContact O-N 2.91Å
55	K	31.2	Very low	32.8	Very low	174 Å²	174	130.8 Å²	130.8	76%	0.757	66%	0.657	S	S	*	*	H	α-helix	trans	-63.2	-23.8	177.5	-83.2	-176.8	177.3	176.3	0	113.5
56	F	31.7	Very low	33.2	Very low	153 Å²	153	127.5 Å²	127.5	67%	0.671	64%	0.64	S	S	*	*	H	α-helix	trans	-83.2	-30.3	178.3	-85.2	-91.1	0	0	0	113.9	R54 V58 R59 R60	R54-F56 PolarHBondContact O-N 3.24Å; F56-V58 PolarHBondContact O-N 3.36Å; F56-R59 PolarHBondContact O-N 3.28Å; F56-R60 PolarHBondContact O-N 2.81Å
57	T	35.7	Very low	33.7	Very low	87 Å²	87	127.8 Å²	127.8	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-68.3	-33.6	-178.2	-33.1	0	0	0	0	112.3	R54 R60 W61	R54-T57 PolarHBondContact O-N 2.91Å; T57-R60 WeakPolarHBondContact O-CB 3.45Å; T57-R60 PolarHBondContact O-N 2.79Å; T57-W61 PolarHBondContact O-N 3.48Å; T57-W61 VanDerWaalsContact O-N 3.13Å
58	V	34	Very low	34	Very low	97 Å²	97	126.3 Å²	126.3	59%	0.588	62%	0.623	S	S	*	*	H	α-helix	trans	-68.4	-38.3	179.4	-178.3	0	0	0	0	111.9	F56 R60 W61 F62	F56-V58 PolarHBondContact O-N 3.36Å; V58-R60 VanDerWaalsContact C-N 3.29Å; V58-R60 PolarHBondContact O-N 3.4Å; V58-W61 PolarHBondContact O-N 3.39Å; V58-F62 PolarHBondContact O-N 3.34Å
59	R	35.9	Very low	34.2	Very low	181 Å²	181	128.1 Å²	128.1	68%	0.683	62%	0.615	S	S	*	*	H	α-helix	trans	-62.9	-35.2	173.1	-80.1	-176.2	169.4	177.4	-3.1	112	F56 S63	F56-R59 PolarHBondContact O-N 3.28Å; R59-S63 WeakPolarHBondContact O-CB 3.45Å; R59-S63 PolarHBondContact O-N 3.32Å; R59-S63 VanDerWaalsContact O-N 3.07Å
60	R	39.4	Very low	34.7	Very low	108 Å²	108	122.5 Å²	122.5	41%	0.408	60%	0.598	S	S	.	*	H	α-helix	trans	-68.8	-42.2	178.6	-160.4	170.4	-175	159.6	3.5	111.7	F56 T57 V58 S63 I64 E165 E258	F56-R60 PolarHBondContact O-N 2.81Å; T57-R60 WeakPolarHBondContact O-CB 3.45Å; T57-R60 PolarHBondContact O-N 2.79Å; V58-R60 VanDerWaalsContact C-N 3.29Å; V58-R60 PolarHBondContact O-N 3.4Å; R60-S63 PolarHBondContact O-N 2.76Å; R60-I64 HydrophobicContact CG-CD1 4.23Å; R60-I64 WeakPolarHBondContact O-CD1 3.36Å; R60-I64 VanDerWaalsContact O-CG1 3.25Å; R60-I64 WeakPolarHBondContact O-CG1 3.35Å; R60-I64 PolarHBondContact O-N 3.42Å; R60-I64 VanDerWaalsContact O-N 3.1Å; R60-E165 IonicContact CZ-OE1 3.28Å; R60-E165 IonicContact CZ-OE2 3.83Å; R60-E165 IonicContact NH1-OE1 3.82Å; R60-E165 PolarHBondContact NH1-OE1 3.38Å; R60-E165 IonicContact NH1-OE2 3.51Å; R60-E165 PolarHBondContact NH1-OE2 2.84Å; R60-E165 IonicContact NH2-OE2 3.75Å; R60-E258 IonicContact NH2-OE1 2.57Å; R60-E258 PolarHBondContact NH2-OE1 3.32Å; R60-E258 VanDerWaalsContact NH2-OE1 3.09Å
61	W	34.5	Very low	35.1	Very low	180 Å²	180	119.8 Å²	119.8	68%	0.682	59%	0.594	S	S	*	*	H	α-helix	trans	-64.1	-41.5	175.8	-155.8	84.2	0	0	0	112.1	T57 V58 I64 Y65	T57-W61 PolarHBondContact O-N 3.48Å; T57-W61 VanDerWaalsContact O-N 3.13Å; V58-W61 PolarHBondContact O-N 3.39Å; W61-I64 PolarHBondContact O-N 3.36Å; W61-Y65 WeakPolarHBondContact O-CB 3.47Å; W61-Y65 PolarHBondContact O-N 3.2Å
62	F	33.5	Very low	35.4	Very low	125 Å²	125	124.6 Å²	124.6	55%	0.548	60%	0.599	S	S	.	*	H	α-helix	trans	-66.4	-39.1	178	-124.3	-96.4	0	0	0	112.9	V58 Y65 L66	V58-F62 PolarHBondContact O-N 3.34Å; F62-Y65 PolarHBondContact O-N 2.99Å; F62-L66 HydrophobicContact CD1-CD1 4.24Å; F62-L66 WeakPolarHBondContact O-CB 3.45Å; F62-L66 VanDerWaalsContact O-CG 3.29Å; F62-L66 WeakPolarHBondContact O-CG 3.17Å; F62-L66 PolarHBondContact O-N 2.87Å
63	S	36.2	Very low	35.5	Very low	62 Å²	62	127.1 Å²	127.1	43%	0.434	61%	0.605	S	S	.	*	H	α-helix	trans	-69	-35.4	177.5	-157.8	0	0	0	0	112.5	R59 R60 K67	R59-S63 WeakPolarHBondContact O-CB 3.45Å; R59-S63 PolarHBondContact O-N 3.32Å; R59-S63 VanDerWaalsContact O-N 3.07Å; R60-S63 PolarHBondContact O-N 2.76Å; S63-K67 WeakPolarHBondContact O-CG 3.44Å; S63-K67 PolarHBondContact O-N 2.81Å
64	I	39.1	Very low	35.8	Very low	88 Å²	88	130.5 Å²	130.5	45%	0.451	61%	0.611	S	S	.	*	H	α-helix	trans	-69.4	-42.7	173.8	-68.1	166.5	0	0	0	110.9	R60 W61 L66 K67 N68	R60-I64 HydrophobicContact CG-CD1 4.23Å; R60-I64 WeakPolarHBondContact O-CD1 3.36Å; R60-I64 VanDerWaalsContact O-CG1 3.25Å; R60-I64 WeakPolarHBondContact O-CG1 3.35Å; R60-I64 PolarHBondContact O-N 3.42Å; R60-I64 VanDerWaalsContact O-N 3.1Å; W61-I64 PolarHBondContact O-N 3.36Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-L66 PolarHBondContact O-N 3.43Å; I64-K67 PolarHBondContact O-N 3Å; I64-N68 WeakPolarHBondContact O-CB 3.5Å; I64-N68 PolarHBondContact O-N 3.45Å
65	Y	36.5	Very low	35.8	Very low	121 Å²	121	128.9 Å²	128.9	48%	0.475	62%	0.617	S	S	.	*	H	α-helix	trans	-59.9	-43.8	175.3	-178.5	-96	0	0	0	111.8	W61 F62 N68 K69	W61-Y65 WeakPolarHBondContact O-CB 3.47Å; W61-Y65 PolarHBondContact O-N 3.2Å; F62-Y65 PolarHBondContact O-N 2.99Å; Y65-N68 PolarHBondContact O-N 3.07Å; Y65-K69 HydrophobicContact CE1-CD 4.4Å; Y65-K69 WeakPolarHBondContact O-CB 3.47Å; Y65-K69 PolarHBondContact O-N 3.22Å
66	L	36.4	Very low	35.7	Very low	98 Å²	98	126.2 Å²	126.2	51%	0.513	62%	0.62	S	S	.	*	H	α-helix	trans	-68	-39.1	178	-71.7	168.8	0	0	0	112.8	F62 I64 K69 A70	F62-L66 HydrophobicContact CD1-CD1 4.24Å; F62-L66 WeakPolarHBondContact O-CB 3.45Å; F62-L66 VanDerWaalsContact O-CG 3.29Å; F62-L66 WeakPolarHBondContact O-CG 3.17Å; F62-L66 PolarHBondContact O-N 2.87Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-L66 PolarHBondContact O-N 3.43Å; L66-K69 PolarHBondContact O-N 3.42Å; L66-A70 PolarHBondContact O-N 3.27Å
67	K	37.7	Very low	35.9	Very low	152 Å²	152	124.2 Å²	124.2	66%	0.661	63%	0.632	S	S	*	*	H	α-helix	trans	-64.1	-39.4	174	-79.2	178	179.7	175.8	0	112.4	S63 I64 A70 A71	S63-K67 WeakPolarHBondContact O-CG 3.44Å; S63-K67 PolarHBondContact O-N 2.81Å; I64-K67 PolarHBondContact O-N 3Å; K67-A70 PolarHBondContact O-N 2.7Å; K67-A71 PolarHBondContact O-N 2.92Å; K67-A71 VanDerWaalsContact O-N 3.13Å
68	N	36.8	Very low	35.5	Very low	106 Å²	106	123.8 Å²	123.8	57%	0.567	64%	0.644	S	S	*	*	H	α-helix	trans	-72	-30.1	176.5	-78.1	-24.3	0	0	0	112.9	I64 Y65 R72	I64-N68 WeakPolarHBondContact O-CB 3.5Å; I64-N68 PolarHBondContact O-N 3.45Å; Y65-N68 PolarHBondContact O-N 3.07Å; N68-R72 PolarHBondContact O-N 3.39Å
69	K	35	Very low	35.2	Very low	126 Å²	126	127.9 Å²	127.9	55%	0.548	66%	0.655	S	S	.	*	H	α-helix	trans	-71.9	-39.2	173.5	-163	175.6	-178.4	179.8	0	111.9	Y65 L66 R72	Y65-K69 HydrophobicContact CE1-CD 4.4Å; Y65-K69 WeakPolarHBondContact O-CB 3.47Å; Y65-K69 PolarHBondContact O-N 3.22Å; L66-K69 PolarHBondContact O-N 3.42Å; K69-R72 PolarHBondContact O-N 3.06Å
70	A	39.6	Very low	34.6	Very low	71 Å²	71	125.6 Å²	125.6	59%	0.587	67%	0.665	S	S	*	*	H	α-helix	trans	-67.3	-33.3	175.7	0	0	0	0	0	113.1	L66 K67 R72	L66-A70 PolarHBondContact O-N 3.27Å; K67-A70 PolarHBondContact O-N 2.7Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 2.83Å
71	A	37.6	Very low	34	Very low	76 Å²	76	128.1 Å²	128.1	63%	0.628	68%	0.681	S	S	*	*	H	α-helix	trans	-71.2	-23.7	175.3	0	0	0	0	0	113.4	K67	K67-A71 PolarHBondContact O-N 2.92Å; K67-A71 VanDerWaalsContact O-N 3.13Å
72	R	36.5	Very low	33.6	Very low	223 Å²	223	128 Å²	128	84%	0.842	69%	0.693	S	S	*	*	H	α-helix	trans	-84.7	-17.2	-179.2	-104.2	176.9	169.9	171.3	-3.6	114.9	N68 K69 A70	N68-R72 PolarHBondContact O-N 3.39Å; K69-R72 PolarHBondContact O-N 3.06Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 2.83Å
73	N	34.4	Very low	33.3	Very low	139 Å²	139	131.1 Å²	131.1	74%	0.743	71%	0.709	S	S	*	*			trans	-96.6	12.5	-175.8	-99.3	16.6	0	0	0	115.3	N75	N73-N75 VanDerWaalsContact C-N 3.31Å; N73-N75 PolarHBondContact O-N 3.39Å
74	K	36.6	Very low	32.8	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	73%	0.726	S	S	*	*			trans	-88	70.9	166.4	-73.8	-173.7	177.6	-177.7	0	109.9
75	N	33.9	Very low	32.4	Very low	159 Å²	159	139 Å²	139	85%	0.85	75%	0.748	S	S	*	*			trans	-177.7	76.4	158.1	-94.5	-7.6	0	0	0	110	N73	N73-N75 VanDerWaalsContact C-N 3.31Å; N73-N75 PolarHBondContact O-N 3.39Å
76	S	29.8	Very low	31.9	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	75%	0.752	S	S	*	*			trans	-170.1	120	145.8	50.6	0	0	0	0	109.2
77	A	34.9	Very low	31.6	Very low	111 Å²	111	139 Å²	139	92%	0.917	77%	0.767	S	S	*	*			trans	-76.4	137.9	165	0	0	0	0	0	108.7
78	G	27.3	Very low	31.1	Very low	78 Å²	78	139.5 Å²	139.5	80%	0.804	78%	0.776	S	S	*	*			trans	177	103	176.5	0	0	0	0	0	111.7
79	F	26.8	Very low	30.5	Very low	184 Å²	184	143.2 Å²	143.2	81%	0.807	79%	0.787	S	S	*	*			trans	-60.6	137.2	175.8	-131.6	-103.1	0	0	0	111.7	Q81	F79-Q81 HydrophobicContact CE1-CG 4.48Å
80	C	25	Very low	30	Very low	132 Å²	132	146.2 Å²	146.2	89%	0.892	80%	0.804	S	S	*	*			trans	-162.5	114.6	149.4	-101.6	0	0	0	0	109.4
81	Q	26.5	Very low	29.3	Very low	162 Å²	162	149.9 Å²	149.9	76%	0.757	81%	0.812	S	S	*	*			trans	-73.2	134.2	169.5	-73.4	166.6	-57.5	0	0	109.9	F79	F79-Q81 HydrophobicContact CE1-CG 4.48Å
82	L	25.4	Very low	28.7	Very low	176 Å²	176	150.6 Å²	150.6	92%	0.921	81%	0.805	S	S	*	*			trans	-140.5	119.1	149.4	-84	169.7	0	0	0	106.6
83	E	27.4	Very low	28.5	Very low	191 Å²	191	145.7 Å²	145.7	89%	0.893	79%	0.794	S	S	*	*			trans	-69.7	131.9	168.8	-67.9	171.5	160.3	0	0	108.7
84	D	26	Very low	28.3	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	77%	0.771	S	S	*	*			trans	-146.8	112	151.4	-160.6	9.4	0	0	0	109.4	S86	D84-S86 PolarHBondContact O-N 2.94Å
85	D	30.6	Very low	28.2	Very low	170 Å²	170	138 Å²	138	91%	0.909	76%	0.76	S	S	*	*			trans	-85.4	60.7	-169	-138.8	2.4	0	0	0	109.6
86	S	26.7	Very low	28.3	Very low	81 Å²	81	137.3 Å²	137.3	57%	0.566	75%	0.752	S	S	*	*			trans	-102.3	117.9	172	65.9	0	0	0	0	109.8	D84 L88	D84-S86 PolarHBondContact O-N 2.94Å; S86-L88 PolarHBondContact O-N 3.05Å
87	V	30.1	Very low	28.6	Very low	137 Å²	137	134.4 Å²	134.4	83%	0.83	73%	0.729	S	S	*	*			trans	-47	97.4	175.6	177.3	0	0	0	0	110	K89	V87-K89 PolarHBondContact O-N 3.26Å
88	L	25.3	Very low	28.6	Very low	162 Å²	162	135 Å²	135	85%	0.848	71%	0.711	S	S	*	*			trans	-66.6	90.3	165.7	-78.1	165.6	0	0	0	107	S86 E90	S86-L88 PolarHBondContact O-N 3.05Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 3.17Å
89	K	24.6	Very low	28.7	Very low	184 Å²	184	140 Å²	140	80%	0.8	71%	0.713	S	S	*	*			trans	-59.8	98.1	156.2	-105.2	-179.5	175.6	175.3	0	106.5	V87 I91	V87-K89 PolarHBondContact O-N 3.26Å; K89-I91 PolarHBondContact O-N 2.71Å
90	E	25.4	Very low	29.2	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	72%	0.717	S	S	*	*			trans	-55.8	105.7	164.5	-86.4	-169.1	140.6	0	0	108	L88 D92	L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 3.17Å; E90-D92 PolarHBondContact O-N 2.99Å
91	I	24.6	Very low	30	Very low	147 Å²	147	131.5 Å²	131.5	75%	0.754	69%	0.691	S	S	*	*			trans	-74.7	107.8	165.2	-59.5	173	0	0	0	105.3	K89 I93	K89-I91 PolarHBondContact O-N 2.71Å; I91-I93 HydrophobicContact CG2-CG1 4.41Å; I91-I93 PolarHBondContact O-N 3.38Å
92	D	25.2	Very low	31.3	Very low	91 Å²	91	130 Å²	130	49%	0.487	68%	0.684	S	S	.	*			trans	-65.9	95	174.7	-172.9	32.3	0	0	0	109.3	E90 S94 R424	E90-D92 PolarHBondContact O-N 2.99Å; D92-S94 PolarHBondContact O-N 3.06Å; D92-S94 PolarHBondContact O-OG 3.44Å; D92-S94 PolarHBondContact OD2-OG 2.59Å; D92-R424 IonicContact OD1-CZ 3.77Å; D92-R424 IonicContact OD1-NE 3.65Å; D92-R424 IonicContact OD1-NH2 2.68Å; D92-R424 PolarHBondContact OD1-NH2 3.05Å
93	I	31	Very low	33.1	Very low	120 Å²	120	128.5 Å²	128.5	62%	0.615	67%	0.67	S	S	*	*			trans	-78.3	68	174.6	-47.9	175.7	0	0	0	108.4	I91	I91-I93 HydrophobicContact CG2-CG1 4.41Å; I91-I93 PolarHBondContact O-N 3.38Å
94	S	31.4	Very low	35.1	Very low	36 Å²	36	120 Å²	120	25%	0.252	63%	0.633	S	S	.	*			trans	-90.2	-4.8	171.8	45.2	0	0	0	0	112.6	D92	D92-S94 PolarHBondContact O-N 3.06Å; D92-S94 PolarHBondContact O-OG 3.44Å; D92-S94 PolarHBondContact OD2-OG 2.59Å
95	H	34.6	Very low	37.5	Very low	124 Å²	124	116 Å²	116	57%	0.574	61%	0.611	S	S	*	*			trans	-128.9	101.9	-166.7	-63	-66.1	0	0	0	113
96	H	35	Very low	39.8	Very low	144 Å²	144	109.5 Å²	109.5	67%	0.667	58%	0.578	S	S	*	*			trans	-108.6	85.7	157.7	-88.2	107.5	0	0	0	107.7
97	V	36.8	Very low	42.5	Very low	56 Å²	56	109 Å²	109	34%	0.339	58%	0.575	S	S	.	*			trans	-117.4	130.9	162.3	-176	0	0	0	0	104.6	C101	V97-C101 HydrophobicContact CG1-CB 3.71Å; V97-C101 WeakPolarHBondContact CG1-O 3.45Å
98	K	35.2	Very low	45.2	Very low	123 Å²	123	103.4 Å²	103.4	54%	0.535	54%	0.539	S	S	.	.			trans	-55.4	144.8	171.7	-103.5	-177	176.7	177.4	0	109.1	G100 C101	K98-G100 PolarHBondContact O-N 3.12Å; K98-C101 PolarHBondContact O-N 3.29Å
99	E	28.8	Very low	48.2	Very low	182 Å²	182	96.3 Å²	96.3	85%	0.85	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.8	-180	-50.6	93.5	95.6	0	0	110.1
100	G	36.9	Very low	51.3	Low	87 Å²	87	92.3 Å²	92.3	90%	0.897	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	-6.7	-177.8	0	0	0	0	0	116.8	K98	K98-G100 PolarHBondContact O-N 3.12Å
101	C	43.1	Very low	54.2	Low	51 Å²	51	85.8 Å²	85.8	35%	0.345	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-90.1	126.8	177.3	-70.5	0	0	0	0	112.4	V97 K98 K103	V97-C101 HydrophobicContact CG1-CB 3.71Å; V97-C101 WeakPolarHBondContact CG1-O 3.45Å; K98-C101 PolarHBondContact O-N 3.29Å; C101-K103 PolarHBondContact O-N 3.03Å
102	E	52.7	Low	56.9	Low	132 Å²	132	80.4 Å²	80.4	62%	0.617	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-56.7	135.2	174.4	-75.5	-171.4	151.8	0	0	111.4	A104	E102-A104 PolarHBondContact O-N 3.19Å
103	K	63.4	Low	59.7	Low	144 Å²	144	77.6 Å²	77.6	63%	0.626	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.7	123.6	175.7	-174.1	-179.8	177.7	-175.2	0	109.3	C101 Q108	C101-K103 PolarHBondContact O-N 3.03Å; K103-Q108 PolarHBondContact O-NE2 3.09Å
104	A	69.4	Low	62.2	Low	12 Å²	12	72 Å²	72	10%	0.099	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70.9	131.3	174.6	0	0	0	0	0	111	E102 Q108 Y176 F178 V429	E102-A104 PolarHBondContact O-N 3.19Å; A104-Q108 VanDerWaalsContact CA-OE1 3.31Å; A104-Y176 HydrophobicContact CB-CD1 4.05Å; A104-F178 HydrophobicContact CB-CB 4.28Å; A104-F178 HydrophobicContact CB-CD1 3.63Å; A104-F178 HydrophobicContact CB-CE1 4.31Å; A104-F178 HydrophobicContact CB-CG 4.22Å; A104-V429 HydrophobicContact CB-CG2 4.32Å
105	D	76.8	Confident	64.6	Low	62 Å²	62	71 Å²	71	33%	0.332	38%	0.376	S	S	.	.			trans	-140.3	146	-175.7	-174.1	-90.1	0	0	0	111.4	S107 Q108 F109	D105-S107 PolarHBondContact O-N 2.73Å; D105-S107 VanDerWaalsContact O-N 3.14Å; D105-S107 WeakPolarHBondContact OD1-CB 3.47Å; D105-S107 PolarHBondContact OD1-N 3.11Å; D105-S107 PolarHBondContact OD1-OG 3.01Å; D105-Q108 HydrophobicContact CB-CG 4.33Å; D105-Q108 VanDerWaalsContact N-OE1 3.09Å; D105-Q108 WeakPolarHBondContact O-CB 3.34Å; D105-Q108 PolarHBondContact O-N 2.91Å; D105-F109 WeakPolarHBondContact O-CD2 3.19Å
106	P	79.6	Confident	66.7	Low	34 Å²	34	65.9 Å²	65.9	22%	0.221	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-53.1	-34.6	177.6	-17.2	21	0	0	0	113.8	Q108 F109 F178 T180 Y185	P106-Q108 PolarHBondContact O-N 3.44Å; P106-Q108 VanDerWaalsContact O-N 3.11Å; P106-F109 PolarHBondContact O-N 3.47Å; P106-F178 HydrophobicContact CB-CE2 4.19Å; P106-F178 VanDerWaalsContact CD-CE2 3.43Å; P106-F178 HydrophobicContact CG-CD2 4.32Å; P106-F178 HydrophobicContact CG-CE2 3.66Å; P106-T180 HydrophobicContact CG-CG2 3.77Å; P106-Y185 HydrophobicContact CG-CE1 4.45Å; P106-Y185 HydrophobicContact CG-CE2 4.2Å
107	S	83.1	Confident	68.6	Low	70 Å²	70	63.7 Å²	63.7	49%	0.49	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-65.1	-12.3	179.5	65.8	0	0	0	0	114.1	D105 F109 I129	D105-S107 PolarHBondContact O-N 2.73Å; D105-S107 VanDerWaalsContact O-N 3.14Å; D105-S107 WeakPolarHBondContact OD1-CB 3.47Å; D105-S107 PolarHBondContact OD1-N 3.11Å; D105-S107 PolarHBondContact OD1-OG 3.01Å; S107-F109 VanDerWaalsContact C-N 3.26Å; S107-I129 WeakPolarHBondContact O-CD1 3.24Å
108	Q	85.6	Confident	70	Confident	20 Å²	20	63.3 Å²	63.3	9%	0.093	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-82.8	-3.4	174.9	-62.4	170.6	-17.6	0	0	112.9	K103 A104 D105 P106 K128 I129 R130	K103-Q108 PolarHBondContact O-NE2 3.09Å; A104-Q108 VanDerWaalsContact CA-OE1 3.31Å; D105-Q108 HydrophobicContact CB-CG 4.33Å; D105-Q108 VanDerWaalsContact N-OE1 3.09Å; D105-Q108 WeakPolarHBondContact O-CB 3.34Å; D105-Q108 PolarHBondContact O-N 2.91Å; P106-Q108 PolarHBondContact O-N 3.44Å; P106-Q108 VanDerWaalsContact O-N 3.11Å; Q108-K128 WeakPolarHBondContact O-CA 3.29Å; Q108-I129 VanDerWaalsContact O-CG1 3.29Å; Q108-I129 WeakPolarHBondContact O-CG1 3.45Å; Q108-I129 PolarHBondContact O-N 3.46Å; Q108-R130 HydrophobicContact CG-CB 4.4Å
109	F	88.7	Confident	71	Confident	13 Å²	13	61.7 Å²	61.7	6%	0.057	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.4	-175.2	-61.4	-86	0	0	0	110.6	D105 P106 S107 V126 R127 K128 Y138 M140 Y176 F178 I187	D105-F109 WeakPolarHBondContact O-CD2 3.19Å; P106-F109 PolarHBondContact O-N 3.47Å; S107-F109 VanDerWaalsContact C-N 3.26Å; F109-V126 HydrophobicContact CB-CB 4.16Å; F109-V126 HydrophobicContact CB-CG2 4.27Å; F109-V126 HydrophobicContact CD1-CG2 3.83Å; F109-V126 HydrophobicContact CG-CG2 4.4Å; F109-R127 CarbonylContact C-O 3.56Å; F109-R127 WeakPolarHBondContact CA-O 3.38Å; F109-K128 HydrophobicContact CD1-CB 4.27Å; F109-K128 HydrophobicContact CD1-CG 4.17Å; F109-K128 HydrophobicContact CE1-CB 4.2Å; F109-K128 HydrophobicContact CE1-CD 4.25Å; F109-K128 HydrophobicContact CE1-CG 3.87Å; F109-K128 HydrophobicContact CZ-CG 4.39Å; F109-Y138 HydrophobicContact CE1-CD2 4.22Å; F109-M140 HydrophobicContact CB-CE 3.4Å; F109-M140 VanDerWaalsContact CB-CE 3.4Å; F109-M140 HydrophobicContact CD1-CE 4.34Å; F109-M140 HydrophobicContact CD2-CE 3.9Å; F109-M140 HydrophobicContact CG-CE 3.63Å; F109-Y176 HydrophobicContact CE1-CD2 4.39Å; F109-Y176 AromaticContact CZ-CD2 3.94Å; F109-Y176 HydrophobicContact CZ-CD2 3.94Å; F109-Y176 HydrophobicContact CZ-CE2 4.37Å; F109-Y176 HydrophobicContact CZ-CG 4.24Å; F109-F178 HydrophobicContact CD2-CE1 4.21Å; F109-F178 HydrophobicContact CD2-CZ 4.06Å; F109-F178 AromaticContact CE2-CE1 3.63Å; F109-F178 HydrophobicContact CE2-CE1 3.63Å; F109-F178 AromaticContact CE2-CZ 3.96Å; F109-F178 HydrophobicContact CE2-CZ 3.96Å; F109-F178 HydrophobicContact CZ-CE1 4.36Å; F109-I187 HydrophobicContact CE1-CD1 4.3Å; F109-I187 HydrophobicContact CE1-CG1 4.18Å; F109-I187 HydrophobicContact CE1-CG2 3.91Å; F109-I187 HydrophobicContact CE2-CD1 4.41Å; F109-I187 HydrophobicContact CE2-CG1 4.31Å; F109-I187 HydrophobicContact CZ-CD1 4.26Å; F109-I187 HydrophobicContact CZ-CG1 3.89Å; F109-I187 HydrophobicContact CZ-CG2 4.31Å
110	Q	89.4	Confident	72.5	Confident	101 Å²	101	57.9 Å²	57.9	47%	0.472	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124	171.9	-179.1	-178.3	21.3	0	0	109.5	L112 V126 R127 I129	Q110-L112 HydrophobicContact CG-CD2 4.18Å; Q110-V126 CarbonylContact O-C 3.46Å; Q110-V126 WeakPolarHBondContact O-CA 3.34Å; Q110-V126 WeakPolarHBondContact O-CB 3.42Å; Q110-R127 HydrophobicContact CB-CB 4.48Å; Q110-R127 PolarHBondContact N-O 3.06Å; Q110-R127 PolarHBondContact O-N 3.26Å; Q110-I129 HydrophobicContact CB-CG2 3.74Å
111	L	86.8	Confident	74.3	Confident	53 Å²	53	54.8 Å²	54.8	28%	0.277	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.2	174.1	-65.2	160.6	0	0	0	109.9	F124 V126 M140 P407 D409	L111-F124 HydrophobicContact CD2-CB 3.61Å; L111-F124 HydrophobicContact CD2-CD1 3.76Å; L111-F124 HydrophobicContact CD2-CD2 4.01Å; L111-F124 HydrophobicContact CD2-CE1 4.37Å; L111-F124 HydrophobicContact CD2-CG 3.54Å; L111-V126 HydrophobicContact CD2-CG1 3.79Å; L111-M140 HydrophobicContact CD2-SD 4.33Å; L111-P407 HydrophobicContact CB-CB 4.17Å; L111-D409 HydrophobicContact CD1-CB 3.92Å
112	L	81.6	Confident	76.2	Confident	34 Å²	34	55.3 Å²	55.3	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-52.9	179.8	-60.1	-178.6	0	0	0	112.1	Q110 L125 R127 L137 E393 P407	Q110-L112 HydrophobicContact CG-CD2 4.18Å; L112-L125 HydrophobicContact CB-CB 4.45Å; L112-L125 HydrophobicContact CB-CD2 4.31Å; L112-L125 HydrophobicContact CB-CG 4.14Å; L112-L125 HydrophobicContact CD1-CD2 4.3Å; L112-L125 HydrophobicContact CD1-CG 4.15Å; L112-L125 PolarHBondContact N-O 3.4Å; L112-R127 HydrophobicContact CD1-CB 4.05Å; L112-R127 HydrophobicContact CG-CB 4.4Å; L112-L137 HydrophobicContact CD1-CD2 3.57Å; L112-E393 HydrophobicContact CD1-CG 4.02Å; L112-P407 WeakPolarHBondContact O-CG 3.46Å
113	K	84.7	Confident	77.9	Confident	32 Å²	32	51 Å²	51	14%	0.139	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.8	-177.1	-67.3	-169.4	173.5	-172.4	0	111.7	F124 L125 T395 S460	K113-F124 CarbonylContact O-C 3.55Å; K113-F124 VanDerWaalsContact O-CA 3.26Å; K113-F124 WeakPolarHBondContact O-CA 3.35Å; K113-L125 HydrophobicContact CB-CB 4.24Å; K113-L125 PolarHBondContact N-O 3.15Å; K113-L125 PolarHBondContact O-N 3.12Å; K113-T395 HydrophobicContact CD-CG2 3.81Å; K113-S460 PolarHBondContact NZ-OG 2.91Å
114	V	83.7	Confident	79.1	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.3	167.2	-172.1	0	0	0	0	108.1	F124 F402 T403 R405 P407	V114-F124 HydrophobicContact CB-CD1 4.49Å; V114-F124 HydrophobicContact CG2-CD1 3.9Å; V114-F124 HydrophobicContact CG2-CE1 3.8Å; V114-F402 HydrophobicContact CG1-CB 4.3Å; V114-F402 CarbonylContact O-C 3.54Å; V114-F402 VanDerWaalsContact O-C 3.26Å; V114-T403 WeakPolarHBondContact O-CA 3.12Å; V114-T403 PolarHBondContact O-N 3.3Å; V114-R405 HydrophobicContact CG2-CB 4.24Å; V114-P407 HydrophobicContact CG2-CB 4.38Å
115	L	81.6	Confident	80.1	Confident	15 Å²	15	43.6 Å²	43.6	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-27	-180	-63.3	178.7	0	0	0	112.2	V123 L125 A139 F190 T395 F398	L115-V123 HydrophobicContact CB-CG1 4.25Å; L115-V123 HydrophobicContact CD1-CG1 4.43Å; L115-V123 PolarHBondContact N-O 3.25Å; L115-L125 HydrophobicContact CD1-CB 3.96Å; L115-L125 HydrophobicContact CD2-CB 3.96Å; L115-L125 HydrophobicContact CG-CB 3.9Å; L115-A139 HydrophobicContact CD1-CB 4.42Å; L115-F190 HydrophobicContact CD1-CD2 3.8Å; L115-F190 HydrophobicContact CD1-CE2 3.64Å; L115-F190 HydrophobicContact CD2-CE2 4.05Å; L115-T395 HydrophobicContact CD2-CG2 3.65Å; L115-F398 HydrophobicContact CB-CD1 3.97Å; L115-F398 HydrophobicContact CB-CE1 4.04Å; L115-F398 HydrophobicContact CD1-CE1 4.2Å; L115-F398 HydrophobicContact CD1-CZ 4.33Å; L115-F398 HydrophobicContact CD2-CD1 3.85Å; L115-F398 HydrophobicContact CD2-CD2 4.05Å; L115-F398 HydrophobicContact CD2-CE1 3.94Å; L115-F398 HydrophobicContact CD2-CE2 4.14Å; L115-F398 HydrophobicContact CD2-CG 3.9Å; L115-F398 HydrophobicContact CD2-CZ 4.09Å; L115-F398 HydrophobicContact CG-CD1 4.4Å; L115-F398 HydrophobicContact CG-CE1 4.28Å
116	G	78.4	Confident	80.8	Confident	15 Å²	15	40.6 Å²	40.6	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	167.7	178.9	0	0	0	0	0	113.5	V123	G116-V123 PolarHBondContact N-O 2.98Å; G116-V123 PolarHBondContact O-N 3.25Å
117	Q	74.9	Confident	81.3	Confident	99 Å²	99	42 Å²	42	46%	0.463	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	121.7	176.6	-178.3	173.4	-23.7	0	0	110	K122 F402 R405	Q117-K122 HydrophobicContact CB-CG 4.48Å; Q117-K122 HydrophobicContact CG-CG 4.13Å; Q117-F402 HydrophobicContact CB-CD1 4.19Å; Q117-F402 HydrophobicContact CB-CE1 3.91Å; Q117-R405 VanDerWaalsContact OE1-NH1 3.1Å
118	G	64.8	Low	81.7	Confident	48 Å²	48	39.1 Å²	39.1	50%	0.495	21%	0.213	S	C	.	.			trans	-99.5	-179.5	171.6	0	0	0	0	0	112	Y120 G121	G118-Y120 PolarHBondContact O-N 3.43Å; G118-G121 PolarHBondContact N-O 3Å
119	S	56.2	Low	81.9	Confident	88 Å²	88	41.2 Å²	41.2	62%	0.615	22%	0.224	S	C	*	.	S	Bend	trans	-62.9	-23.1	179.4	40.9	0	0	0	0	114.5
120	Y	61.9	Low	81.6	Confident	103 Å²	103	47.9 Å²	47.9	40%	0.404	25%	0.249	S	C	.	.	S	Bend	trans	-125.6	0.7	-173.5	-48.6	-70.1	0	0	0	114.4	G118 L148	G118-Y120 PolarHBondContact O-N 3.43Å; Y120-L148 HydrophobicContact CG-CD2 4.32Å
121	G	73	Confident	81.2	Confident	22 Å²	22	44.7 Å²	44.7	23%	0.227	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	167.7	-172.8	0	0	0	0	0	114.9	G118 V142	G118-G121 PolarHBondContact N-O 3Å; G121-V142 CarbonylContact C-O 3.55Å; G121-V142 WeakPolarHBondContact CA-O 3.28Å
122	K	83.6	Confident	80.7	Confident	61 Å²	61	47.4 Å²	47.4	27%	0.265	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.5	175.3	-71.7	-176.6	178.8	-177.4	0	109.8	Q117 F124 V142	Q117-K122 HydrophobicContact CB-CG 4.48Å; Q117-K122 HydrophobicContact CG-CG 4.13Å; K122-F124 HydrophobicContact CB-CD2 4.28Å; K122-F124 HydrophobicContact CB-CE2 3.55Å; K122-F124 HydrophobicContact CB-CZ 3.74Å; K122-F124 HydrophobicContact CD-CE1 4.38Å; K122-F124 HydrophobicContact CD-CE2 4.36Å; K122-F124 HydrophobicContact CD-CZ 3.71Å; K122-F124 HydrophobicContact CG-CZ 4.4Å; K122-V142 PolarHBondContact N-O 2.71Å; K122-V142 PolarHBondContact O-N 2.83Å
123	V	88.3	Confident	80.8	Confident	42 Å²	42	46.9 Å²	46.9	26%	0.255	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127	173	-173.3	0	0	0	0	108.3	L115 G116 A139 M140 K141	L115-V123 HydrophobicContact CB-CG1 4.25Å; L115-V123 HydrophobicContact CD1-CG1 4.43Å; L115-V123 PolarHBondContact N-O 3.25Å; G116-V123 PolarHBondContact N-O 2.98Å; G116-V123 PolarHBondContact O-N 3.25Å; V123-A139 HydrophobicContact CG1-CB 4.33Å; V123-M140 CarbonylContact C-O 3.48Å; V123-M140 WeakPolarHBondContact CA-O 3.21Å; V123-K141 HydrophobicContact CG2-CB 4.37Å; V123-K141 HydrophobicContact CG2-CG 4.23Å
124	F	88.3	Confident	81	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.8	-179.6	-57.9	-90.2	0	0	0	110.7	L111 K113 V114 K122 V126 A139 M140 V142	L111-F124 HydrophobicContact CD2-CB 3.61Å; L111-F124 HydrophobicContact CD2-CD1 3.76Å; L111-F124 HydrophobicContact CD2-CD2 4.01Å; L111-F124 HydrophobicContact CD2-CE1 4.37Å; L111-F124 HydrophobicContact CD2-CG 3.54Å; K113-F124 CarbonylContact O-C 3.55Å; K113-F124 VanDerWaalsContact O-CA 3.26Å; K113-F124 WeakPolarHBondContact O-CA 3.35Å; V114-F124 HydrophobicContact CB-CD1 4.49Å; V114-F124 HydrophobicContact CG2-CD1 3.9Å; V114-F124 HydrophobicContact CG2-CE1 3.8Å; K122-F124 HydrophobicContact CB-CD2 4.28Å; K122-F124 HydrophobicContact CB-CE2 3.55Å; K122-F124 HydrophobicContact CB-CZ 3.74Å; K122-F124 HydrophobicContact CD-CE1 4.38Å; K122-F124 HydrophobicContact CD-CE2 4.36Å; K122-F124 HydrophobicContact CD-CZ 3.71Å; K122-F124 HydrophobicContact CG-CZ 4.4Å; F124-V126 HydrophobicContact CB-CG1 4.04Å; F124-A139 CarbonylContact O-C 3.5Å; F124-A139 WeakPolarHBondContact O-CA 3.31Å; F124-M140 HydrophobicContact CB-CB 4.46Å; F124-M140 PolarHBondContact N-O 2.89Å; F124-M140 PolarHBondContact O-N 3.28Å; F124-V142 HydrophobicContact CD2-CG2 3.77Å; F124-V142 HydrophobicContact CE2-CB 4.19Å; F124-V142 HydrophobicContact CE2-CG2 3.75Å
125	L	90.8	Very high	80.9	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.1	159.6	176.8	57.7	0	0	0	107.4	L112 K113 L115 L137 F190 T395	L112-L125 HydrophobicContact CB-CB 4.45Å; L112-L125 HydrophobicContact CB-CD2 4.31Å; L112-L125 HydrophobicContact CB-CG 4.14Å; L112-L125 HydrophobicContact CD1-CD2 4.3Å; L112-L125 HydrophobicContact CD1-CG 4.15Å; L112-L125 PolarHBondContact N-O 3.4Å; K113-L125 HydrophobicContact CB-CB 4.24Å; K113-L125 PolarHBondContact N-O 3.15Å; K113-L125 PolarHBondContact O-N 3.12Å; L115-L125 HydrophobicContact CD1-CB 3.96Å; L115-L125 HydrophobicContact CD2-CB 3.96Å; L115-L125 HydrophobicContact CG-CB 3.9Å; L125-L137 HydrophobicContact CD1-CB 4.2Å; L125-L137 HydrophobicContact CD1-CD2 4.33Å; L125-F190 HydrophobicContact CD1-CB 4.44Å; L125-F190 HydrophobicContact CD1-CD1 3.55Å; L125-F190 HydrophobicContact CD1-CD2 3.76Å; L125-F190 HydrophobicContact CD1-CE1 3.55Å; L125-F190 HydrophobicContact CD1-CE2 3.8Å; L125-F190 HydrophobicContact CD1-CG 3.65Å; L125-F190 HydrophobicContact CD1-CZ 3.7Å; L125-F190 HydrophobicContact CD2-CE1 4.19Å; L125-F190 HydrophobicContact CD2-CZ 4Å; L125-F190 HydrophobicContact CG-CZ 4.4Å; L125-T395 HydrophobicContact CD2-CG2 4.03Å
126	V	91.2	Very high	81.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.8	179.4	-57.8	0	0	0	0	111.7	F109 Q110 L111 F124 L137 Y138 M140	F109-V126 HydrophobicContact CB-CB 4.16Å; F109-V126 HydrophobicContact CB-CG2 4.27Å; F109-V126 HydrophobicContact CD1-CG2 3.83Å; F109-V126 HydrophobicContact CG-CG2 4.4Å; Q110-V126 CarbonylContact O-C 3.46Å; Q110-V126 WeakPolarHBondContact O-CA 3.34Å; Q110-V126 WeakPolarHBondContact O-CB 3.42Å; L111-V126 HydrophobicContact CD2-CG1 3.79Å; F124-V126 HydrophobicContact CB-CG1 4.04Å; V126-L137 CarbonylContact O-C 3.59Å; V126-L137 WeakPolarHBondContact O-CA 2.89Å; V126-Y138 PolarHBondContact N-O 3.49Å; V126-Y138 PolarHBondContact O-N 3.01Å; V126-M140 HydrophobicContact CB-CB 4.42Å; V126-M140 HydrophobicContact CB-CE 4.45Å; V126-M140 HydrophobicContact CG1-CB 3.61Å; V126-M140 HydrophobicContact CG1-CE 3.9Å; V126-M140 HydrophobicContact CG1-CG 4.42Å; V126-M140 HydrophobicContact CG1-SD 4.01Å; V126-M140 HydrophobicContact CG2-CB 3.88Å; V126-M140 HydrophobicContact CG2-CE 4.25Å
127	R	91.4	Very high	82	Confident	62 Å²	62	60.3 Å²	60.3	23%	0.234	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.7	168.4	-170.4	-171.3	-59.7	-96.1	11	109.6	F109 Q110 L112 I129 G135 Q136 L137 E393	F109-R127 CarbonylContact C-O 3.56Å; F109-R127 WeakPolarHBondContact CA-O 3.38Å; Q110-R127 HydrophobicContact CB-CB 4.48Å; Q110-R127 PolarHBondContact N-O 3.06Å; Q110-R127 PolarHBondContact O-N 3.26Å; L112-R127 HydrophobicContact CD1-CB 4.05Å; L112-R127 HydrophobicContact CG-CB 4.4Å; R127-I129 PolarHBondContact O-N 3.31Å; R127-G135 WeakPolarHBondContact CG-O 3.37Å; R127-G135 PolarHBondContact NH1-O 3.17Å; R127-Q136 WeakPolarHBondContact CA-O 3.2Å; R127-L137 HydrophobicContact CB-CD2 3.93Å; R127-L137 HydrophobicContact CG-CD2 4.18Å; R127-E393 IonicContact CZ-OE1 2.74Å; R127-E393 IonicContact NH2-OE1 3.72Å; R127-E393 PolarHBondContact NH2-OE1 3.31Å; R127-E393 IonicContact NH2-OE2 3.66Å; R127-E393 PolarHBondContact NH2-OE2 3.31Å
128	K	91.3	Very high	82.8	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.043	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.9	172	-158.3	-178	-174.5	-171	0	110.1	Q108 F109 R130 D133 G135 Q136 Y138 Y176	Q108-K128 WeakPolarHBondContact O-CA 3.29Å; F109-K128 HydrophobicContact CD1-CB 4.27Å; F109-K128 HydrophobicContact CD1-CG 4.17Å; F109-K128 HydrophobicContact CE1-CB 4.2Å; F109-K128 HydrophobicContact CE1-CD 4.25Å; F109-K128 HydrophobicContact CE1-CG 3.87Å; F109-K128 HydrophobicContact CZ-CG 4.39Å; K128-R130 WeakPolarHBondContact CD-O 3.46Å; K128-R130 WeakPolarHBondContact CE-O 3.22Å; K128-R130 WeakPolarHBondContact CG-O 3.34Å; K128-D133 HydrophobicContact CD-CB 4.46Å; K128-D133 WeakPolarHBondContact CD-OD1 3.31Å; K128-D133 WeakPolarHBondContact CD-OD2 3.34Å; K128-D133 WeakPolarHBondContact CE-OD1 3.33Å; K128-D133 VanDerWaalsContact NZ-CG 3.32Å; K128-D133 IonicContact NZ-OD1 3.81Å; K128-D133 PolarHBondContact NZ-OD1 3.44Å; K128-D133 IonicContact NZ-OD2 3.33Å; K128-D133 PolarHBondContact NZ-OD2 3.49Å; K128-G135 PolarHBondContact O-N 3.17Å; K128-Q136 PolarHBondContact N-O 2.79Å; K128-Y138 HydrophobicContact CB-CD2 4.35Å; K128-Y138 HydrophobicContact CB-CE2 4.08Å; K128-Y138 HydrophobicContact CD-CE2 4.42Å; K128-Y176 HydrophobicContact CD-CE2 4.49Å; K128-Y176 VanDerWaalsContact NZ-CZ 3.29Å; K128-Y176 PolarHBondContact NZ-OH 2.8Å
129	I	88.4	Confident	84.2	Confident	64 Å²	64	54.5 Å²	54.5	33%	0.328	29%	0.292	S	S	.	.			trans	-109.3	-6.5	-175.5	57.6	163.7	0	0	0	114	S107 Q108 Q110 R127 R134	S107-I129 WeakPolarHBondContact O-CD1 3.24Å; Q108-I129 VanDerWaalsContact O-CG1 3.29Å; Q108-I129 WeakPolarHBondContact O-CG1 3.45Å; Q108-I129 PolarHBondContact O-N 3.46Å; Q110-I129 HydrophobicContact CB-CG2 3.74Å; R127-I129 PolarHBondContact O-N 3.31Å; I129-R134 WeakPolarHBondContact O-CD 3.27Å
130	R	82.6	Confident	85.9	Confident	153 Å²	153	50.5 Å²	50.5	58%	0.577	26%	0.264	S	S	*	.	S	Bend	trans	-137.9	162.5	179.2	-64.9	-174.5	179.8	-174.8	0.5	111.1	Q108 K128	Q108-R130 HydrophobicContact CG-CB 4.4Å; K128-R130 WeakPolarHBondContact CD-O 3.46Å; K128-R130 WeakPolarHBondContact CE-O 3.22Å; K128-R130 WeakPolarHBondContact CG-O 3.34Å
131	G	80.9	Confident	87.2	Confident	34 Å²	34	47.3 Å²	47.3	35%	0.351	25%	0.252	S	S	.	.	S	Bend	trans	84.6	-177.2	179	0	0	0	0	0	114.4	D133 R134	G131-D133 VanDerWaalsContact C-N 3.29Å; G131-D133 PolarHBondContact O-N 3.49Å; G131-R134 WeakPolarHBondContact O-CB 3.33Å; G131-R134 PolarHBondContact O-N 2.79Å
132	A	76.8	Confident	87.9	Confident	110 Å²	110	46.5 Å²	46.5	91%	0.909	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.8	-172.6	0	0	0	0	0	114.6
133	D	84.6	Confident	87.9	Confident	24 Å²	24	44 Å²	44	13%	0.128	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	27.9	178.5	56.1	-33.9	0	0	0	111.6	K128 G131 G135 Q136 Y138 Y176	K128-D133 HydrophobicContact CD-CB 4.46Å; K128-D133 WeakPolarHBondContact CD-OD1 3.31Å; K128-D133 WeakPolarHBondContact CD-OD2 3.34Å; K128-D133 WeakPolarHBondContact CE-OD1 3.33Å; K128-D133 VanDerWaalsContact NZ-CG 3.32Å; K128-D133 IonicContact NZ-OD1 3.81Å; K128-D133 PolarHBondContact NZ-OD1 3.44Å; K128-D133 IonicContact NZ-OD2 3.33Å; K128-D133 PolarHBondContact NZ-OD2 3.49Å; G131-D133 VanDerWaalsContact C-N 3.29Å; G131-D133 PolarHBondContact O-N 3.49Å; D133-G135 PolarHBondContact O-N 3.25Å; D133-Q136 HydrophobicContact CB-CB 4.38Å; D133-Q136 WeakPolarHBondContact O-CB 3.23Å; D133-Q136 PolarHBondContact O-N 3.27Å; D133-Y138 PolarHBondContact OD2-OH 3.24Å; D133-Y176 PolarHBondContact OD1-OH 2.93Å; D133-Y176 PolarHBondContact OD2-OH 2.99Å
134	R	87.8	Confident	87.5	Confident	193 Å²	193	46 Å²	46	73%	0.728	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	133.9	172.9	175.3	178.3	175.3	-170	-1.2	110.4	I129 G131	I129-R134 WeakPolarHBondContact O-CD 3.27Å; G131-R134 WeakPolarHBondContact O-CB 3.33Å; G131-R134 PolarHBondContact O-N 2.79Å
135	G	83.3	Confident	87	Confident	34 Å²	34	46.1 Å²	46.1	35%	0.351	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-18.4	-178.7	0	0	0	0	0	113.8	R127 K128 D133	R127-G135 WeakPolarHBondContact CG-O 3.37Å; R127-G135 PolarHBondContact NH1-O 3.17Å; K128-G135 PolarHBondContact O-N 3.17Å; D133-G135 PolarHBondContact O-N 3.25Å
136	Q	90.2	Very high	85.9	Confident	105 Å²	105	48.7 Å²	48.7	49%	0.491	26%	0.26	S	S	.	.			trans	-67.1	141.5	-179.2	-173.4	58.3	46.9	0	0	111.8	R127 K128 D133 Y138	R127-Q136 WeakPolarHBondContact CA-O 3.2Å; K128-Q136 PolarHBondContact N-O 2.79Å; D133-Q136 HydrophobicContact CB-CB 4.38Å; D133-Q136 WeakPolarHBondContact O-CB 3.23Å; D133-Q136 PolarHBondContact O-N 3.27Å; Q136-Y138 HydrophobicContact CB-CE2 3.76Å; Q136-Y138 HydrophobicContact CG-CD2 4.35Å; Q136-Y138 HydrophobicContact CG-CE1 4.04Å; Q136-Y138 HydrophobicContact CG-CE2 3.61Å; Q136-Y138 VanDerWaalsContact CG-CZ 3.43Å; Q136-Y138 WeakPolarHBondContact CG-OH 3.45Å
137	L	91.1	Very high	84.8	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.073	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.8	176.4	-64	177.6	0	0	0	111.4	L112 L125 V126 R127 F190 P392 E393	L112-L137 HydrophobicContact CD1-CD2 3.57Å; L125-L137 HydrophobicContact CD1-CB 4.2Å; L125-L137 HydrophobicContact CD1-CD2 4.33Å; V126-L137 CarbonylContact O-C 3.59Å; V126-L137 WeakPolarHBondContact O-CA 2.89Å; R127-L137 HydrophobicContact CB-CD2 3.93Å; R127-L137 HydrophobicContact CG-CD2 4.18Å; L137-F190 HydrophobicContact CB-CD1 4.06Å; L137-F190 HydrophobicContact CD1-CD1 4.39Å; L137-F190 HydrophobicContact CD1-CE1 4.42Å; L137-P392 VanDerWaalsContact CD1-C 3.44Å; L137-P392 HydrophobicContact CD1-CB 3.76Å; L137-P392 WeakPolarHBondContact CD1-O 3.28Å; L137-E393 HydrophobicContact CD1-CG 3.97Å; L137-E393 HydrophobicContact CD2-CG 4.28Å
138	Y	93.4	Very high	83.6	Confident	12 Å²	12	49.5 Å²	49.5	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.7	179.4	-64.2	-74.4	0	0	0	112	F109 V126 K128 D133 Q136 H175 Y176 I187	F109-Y138 HydrophobicContact CE1-CD2 4.22Å; V126-Y138 PolarHBondContact N-O 3.49Å; V126-Y138 PolarHBondContact O-N 3.01Å; K128-Y138 HydrophobicContact CB-CD2 4.35Å; K128-Y138 HydrophobicContact CB-CE2 4.08Å; K128-Y138 HydrophobicContact CD-CE2 4.42Å; D133-Y138 PolarHBondContact OD2-OH 3.24Å; Q136-Y138 HydrophobicContact CB-CE2 3.76Å; Q136-Y138 HydrophobicContact CG-CD2 4.35Å; Q136-Y138 HydrophobicContact CG-CE1 4.04Å; Q136-Y138 HydrophobicContact CG-CE2 3.61Å; Q136-Y138 VanDerWaalsContact CG-CZ 3.43Å; Q136-Y138 WeakPolarHBondContact CG-OH 3.45Å; Y138-H175 AromaticContact CD1-CD2 3.86Å; Y138-H175 HydrophobicContact CE1-CB 4.05Å; Y138-H175 AromaticContact CE1-CD2 3.56Å; Y138-H175 AromaticContact CE1-CE1 3.91Å; Y138-H175 AromaticContact CE1-CG 3.53Å; Y138-H175 AromaticContact CE1-ND1 3.79Å; Y138-H175 AromaticContact CE1-NE2 3.81Å; Y138-Y176 HydrophobicContact CE2-CE2 4.42Å; Y138-I187 VanDerWaalsContact CB-CG2 3.45Å; Y138-I187 HydrophobicContact CD1-CG2 3.86Å; Y138-I187 HydrophobicContact CD2-CG2 4.02Å; Y138-I187 HydrophobicContact CG-CG2 3.51Å
139	A	92.5	Very high	82.5	Confident	13 Å²	13	56.7 Å²	56.7	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116	165.4	0	0	0	0	0	109.6	L115 V123 F124 L188	L115-A139 HydrophobicContact CD1-CB 4.42Å; V123-A139 HydrophobicContact CG1-CB 4.33Å; F124-A139 CarbonylContact O-C 3.5Å; F124-A139 WeakPolarHBondContact O-CA 3.31Å; A139-L188 HydrophobicContact CB-CB 4.46Å; A139-L188 PolarHBondContact N-O 2.73Å; A139-L188 PolarHBondContact O-N 2.72Å
140	M	92.2	Very high	81.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.1	177.2	178	-173.4	-74.6	0	0	110.3	F109 L111 V123 F124 V126 V142 F178 Y185 L186 I187	F109-M140 HydrophobicContact CB-CE 3.4Å; F109-M140 VanDerWaalsContact CB-CE 3.4Å; F109-M140 HydrophobicContact CD1-CE 4.34Å; F109-M140 HydrophobicContact CD2-CE 3.9Å; F109-M140 HydrophobicContact CG-CE 3.63Å; L111-M140 HydrophobicContact CD2-SD 4.33Å; V123-M140 CarbonylContact C-O 3.48Å; V123-M140 WeakPolarHBondContact CA-O 3.21Å; F124-M140 HydrophobicContact CB-CB 4.46Å; F124-M140 PolarHBondContact N-O 2.89Å; F124-M140 PolarHBondContact O-N 3.28Å; V126-M140 HydrophobicContact CB-CB 4.42Å; V126-M140 HydrophobicContact CB-CE 4.45Å; V126-M140 HydrophobicContact CG1-CB 3.61Å; V126-M140 HydrophobicContact CG1-CE 3.9Å; V126-M140 HydrophobicContact CG1-CG 4.42Å; V126-M140 HydrophobicContact CG1-SD 4.01Å; V126-M140 HydrophobicContact CG2-CB 3.88Å; V126-M140 HydrophobicContact CG2-CE 4.25Å; M140-V142 HydrophobicContact CG-CG2 3.72Å; M140-V142 HydrophobicContact SD-CG2 3.83Å; M140-F178 HydrophobicContact CE-CZ 4.36Å; M140-Y185 HydrophobicContact CG-CD1 4.21Å; M140-Y185 HydrophobicContact SD-CD1 3.84Å; M140-Y185 HydrophobicContact SD-CE1 4.17Å; M140-L186 WeakPolarHBondContact CA-O 3.3Å; M140-I187 HydrophobicContact CB-CD1 3.82Å; M140-I187 HydrophobicContact CE-CD1 3.6Å; M140-I187 HydrophobicContact CG-CD1 3.61Å; M140-I187 HydrophobicContact SD-CD1 4.42Å
141	K	90.2	Very high	80.7	Confident	36 Å²	36	60.8 Å²	60.8	16%	0.157	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.7	171.6	-173.6	176.3	-176.5	179	0	109.2	V123 L143 E159 Y185 L186 D252	V123-K141 HydrophobicContact CG2-CB 4.37Å; V123-K141 HydrophobicContact CG2-CG 4.23Å; K141-L143 HydrophobicContact CG-CD1 4.22Å; K141-E159 IonicContact NZ-OE1 2.69Å; K141-E159 PolarHBondContact NZ-OE1 3.47Å; K141-E159 IonicContact NZ-OE2 3.64Å; K141-Y185 WeakPolarHBondContact O-CA 3.46Å; K141-L186 HydrophobicContact CB-CB 4.32Å; K141-L186 PolarHBondContact N-O 3.47Å; K141-L186 PolarHBondContact O-N 3.4Å; K141-D252 IonicContact NZ-OD1 3.9Å; K141-D252 PolarHBondContact NZ-OD1 3.36Å
142	V	87.7	Confident	80	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.3	-177.5	-173.4	0	0	0	0	109.9	G121 K122 F124 M140 K183 L184 Y185	G121-V142 CarbonylContact C-O 3.55Å; G121-V142 WeakPolarHBondContact CA-O 3.28Å; K122-V142 PolarHBondContact N-O 2.71Å; K122-V142 PolarHBondContact O-N 2.83Å; F124-V142 HydrophobicContact CD2-CG2 3.77Å; F124-V142 HydrophobicContact CE2-CB 4.19Å; F124-V142 HydrophobicContact CE2-CG2 3.75Å; M140-V142 HydrophobicContact CG-CG2 3.72Å; M140-V142 HydrophobicContact SD-CG2 3.83Å; V142-K183 HydrophobicContact CG1-CB 4.41Å; V142-K183 HydrophobicContact CG1-CD 3.9Å; V142-K183 HydrophobicContact CG1-CG 4.44Å; V142-L184 WeakPolarHBondContact CA-O 3.39Å; V142-Y185 HydrophobicContact CB-CD1 4.44Å; V142-Y185 HydrophobicContact CB-CE1 4.37Å; V142-Y185 HydrophobicContact CG1-CD1 4.18Å; V142-Y185 HydrophobicContact CG1-CE1 3.75Å; V142-Y185 HydrophobicContact CG2-CD1 3.72Å; V142-Y185 HydrophobicContact CG2-CE1 3.74Å
143	L	82.9	Confident	79.7	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.4	177.6	-53.2	99.7	0	0	0	111	K141 L148 K183 L184	K141-L143 HydrophobicContact CG-CD1 4.22Å; L143-L148 HydrophobicContact CB-CD1 4.33Å; L143-L148 HydrophobicContact CD2-CD2 4.39Å; L143-K183 CarbonylContact O-C 3.48Å; L143-K183 VanDerWaalsContact O-CA 3.24Å; L143-K183 WeakPolarHBondContact O-CA 3.2Å; L143-K183 WeakPolarHBondContact O-CB 3.08Å; L143-L184 HydrophobicContact CB-CB 4.4Å; L143-L184 HydrophobicContact CD1-CB 4.34Å; L143-L184 PolarHBondContact N-O 3.22Å; L143-L184 PolarHBondContact O-N 3.04Å
144	K	80.3	Confident	79	Confident	85 Å²	85	58.9 Å²	58.9	37%	0.37	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.9	177.7	-65.4	-179.9	-179	-175.5	0	110.4	A146 T147 L148	K144-A146 VanDerWaalsContact C-N 3.32Å; K144-A146 PolarHBondContact O-N 3.05Å; K144-T147 HydrophobicContact CB-CG2 4.2Å; K144-T147 WeakPolarHBondContact CB-OG1 3.35Å; K144-T147 HydrophobicContact CD-CG2 4.47Å; K144-T147 PolarHBondContact O-N 3.49Å; K144-T147 PolarHBondContact O-OG1 3.49Å; K144-L148 WeakPolarHBondContact O-CG 3.43Å; K144-L148 PolarHBondContact O-N 3Å
145	K	77.4	Confident	78.3	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62.4	-37.2	-177.2	-70.7	175.6	175.1	175.1	0	112.9	T147 L148 T180 E181 G182 K183 L184 P415 F423	K145-T147 VanDerWaalsContact C-N 3.29Å; K145-T147 PolarHBondContact O-N 3.24Å; K145-L148 PolarHBondContact O-N 3.4Å; K145-T180 PolarHBondContact NZ-O 2.68Å; K145-E181 WeakPolarHBondContact CD-O 3.16Å; K145-G182 WeakPolarHBondContact CB-O 3.34Å; K145-G182 PolarHBondContact N-O 3.2Å; K145-K183 WeakPolarHBondContact CE-O 3.44Å; K145-L184 VanDerWaalsContact CE-CD2 3.43Å; K145-L184 HydrophobicContact CG-CD2 4.46Å; K145-L184 HydrophobicContact CG-CG 4.15Å; K145-P415 HydrophobicContact CB-CB 4.32Å; K145-P415 HydrophobicContact CB-CG 3.93Å; K145-P415 HydrophobicContact CD-CG 4.03Å; K145-F423 HydrophobicContact CD-CD2 4.24Å; K145-F423 HydrophobicContact CD-CE2 4.29Å; K145-F423 HydrophobicContact CG-CE2 4.12Å
146	A	68.7	Low	77.8	Confident	55 Å²	55	52.1 Å²	52.1	46%	0.455	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-64.5	-31.1	179.5	0	0	0	0	0	113.2	K144	K144-A146 VanDerWaalsContact C-N 3.32Å; K144-A146 PolarHBondContact O-N 3.05Å
147	T	68	Low	77.1	Confident	75 Å²	75	49.9 Å²	49.9	46%	0.46	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-87.9	-10.7	-179.6	60	0	0	0	0	113	K144 K145	K144-T147 HydrophobicContact CB-CG2 4.2Å; K144-T147 WeakPolarHBondContact CB-OG1 3.35Å; K144-T147 HydrophobicContact CD-CG2 4.47Å; K144-T147 PolarHBondContact O-N 3.49Å; K144-T147 PolarHBondContact O-OG1 3.49Å; K145-T147 VanDerWaalsContact C-N 3.29Å; K145-T147 PolarHBondContact O-N 3.24Å
148	L	65.9	Low	76.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	25%	0.252	C	S	.	.			trans	-81.3	118.5	177.7	-67.9	172.4	0	0	0	110.4	Y120 L143 K144 K145 D152 R153 L184 F423	Y120-L148 HydrophobicContact CG-CD2 4.32Å; L143-L148 HydrophobicContact CB-CD1 4.33Å; L143-L148 HydrophobicContact CD2-CD2 4.39Å; K144-L148 WeakPolarHBondContact O-CG 3.43Å; K144-L148 PolarHBondContact O-N 3Å; K145-L148 PolarHBondContact O-N 3.4Å; L148-D152 HydrophobicContact CB-CB 4.45Å; L148-D152 HydrophobicContact CD2-CB 3.83Å; L148-R153 HydrophobicContact CB-CG 3.63Å; L148-R153 PolarHBondContact O-NE 2.92Å; L148-R153 PolarHBondContact O-NH2 2.97Å; L148-L184 HydrophobicContact CD1-CD1 4.12Å; L148-F423 HydrophobicContact CD1-CZ 4.46Å
149	K	67.9	Low	75.8	Confident	160 Å²	160	51 Å²	51	70%	0.696	25%	0.251	S	S	*	.			trans	-67	157.2	168.2	-61.6	-179.3	179.4	179.8	0	109.6	R151 D152 R153	K149-R151 PolarHBondContact O-N 3.36Å; K149-D152 WeakPolarHBondContact O-CA 3.21Å; K149-D152 PolarHBondContact O-N 3.2Å; K149-R153 WeakPolarHBondContact O-CG 3.26Å; K149-R153 PolarHBondContact O-N 3.26Å
150	V	67.6	Low	75.4	Confident	103 Å²	103	51.6 Å²	51.6	62%	0.624	25%	0.25	S	C	*	.	H	α-helix	trans	-47.3	-42.5	-177.6	177.6	0	0	0	0	112.9	R153 V154	V150-R153 PolarHBondContact O-N 3.34Å; V150-V154 PolarHBondContact O-N 3.07Å
151	R	65.1	Low	74.8	Confident	201 Å²	201	54.1 Å²	54.1	76%	0.758	26%	0.264	S	S	*	.	H	α-helix	trans	-64.1	-39.7	176.4	-76.9	-175.8	164	-174.4	-3.4	113.6	K149 R153 V154 R155	K149-R151 PolarHBondContact O-N 3.36Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R151-V154 PolarHBondContact O-N 2.75Å; R151-R155 WeakPolarHBondContact O-CG 3.43Å; R151-R155 PolarHBondContact O-N 2.63Å; R151-R155 VanDerWaalsContact O-N 3.17Å
152	D	66.7	Low	74.5	Confident	13 Å²	13	52.5 Å²	52.5	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-74.4	-28.8	-178.6	-55.7	-41.2	0	0	0	111.4	L148 K149 R155 S156	L148-D152 HydrophobicContact CB-CB 4.45Å; L148-D152 HydrophobicContact CD2-CB 3.83Å; K149-D152 WeakPolarHBondContact O-CA 3.21Å; K149-D152 PolarHBondContact O-N 3.2Å; D152-R155 WeakPolarHBondContact O-CB 3.4Å; D152-R155 PolarHBondContact O-N 2.89Å; D152-R155 IonicContact OD1-CZ 2.91Å; D152-R155 IonicContact OD1-NH1 3.6Å; D152-R155 PolarHBondContact OD1-NH1 3.07Å; D152-S156 PolarHBondContact O-N 2.89Å; D152-S156 PolarHBondContact O-OG 3.3Å; D152-S156 VanDerWaalsContact O-OG 3.14Å
153	R	70.3	Confident	74.4	Confident	38 Å²	38	52.5 Å²	52.5	14%	0.143	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-44.3	171.9	-58.6	179	-173.5	177.5	-8.3	112.3	L148 K149 V150 R151 R155 S156 K157 T419 L422 F423	L148-R153 HydrophobicContact CB-CG 3.63Å; L148-R153 PolarHBondContact O-NE 2.92Å; L148-R153 PolarHBondContact O-NH2 2.97Å; K149-R153 WeakPolarHBondContact O-CG 3.26Å; K149-R153 PolarHBondContact O-N 3.26Å; V150-R153 PolarHBondContact O-N 3.34Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-S156 PolarHBondContact O-N 3.12Å; R153-K157 PolarHBondContact O-N 3.28Å; R153-T419 PolarHBondContact NH1-OG1 3.41Å; R153-L422 HydrophobicContact CB-CD2 3.65Å; R153-F423 HydrophobicContact CB-CE1 4.02Å; R153-F423 HydrophobicContact CB-CE2 4.36Å; R153-F423 HydrophobicContact CB-CZ 3.51Å; R153-F423 HydrophobicContact CG-CE2 4.23Å; R153-F423 HydrophobicContact CG-CZ 3.63Å
154	V	69.8	Low	74.3	Confident	77 Å²	77	53.9 Å²	53.9	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-40.4	176.4	176.9	0	0	0	0	110.5	V150 R151 K157 M158 L422	V150-V154 PolarHBondContact O-N 3.07Å; R151-V154 PolarHBondContact O-N 2.75Å; V154-K157 PolarHBondContact O-N 3.48Å; V154-M158 WeakPolarHBondContact O-CB 3.45Å; V154-M158 PolarHBondContact O-N 3.26Å; V154-L422 HydrophobicContact CG2-CD2 4.3Å
155	R	72.9	Confident	74.3	Confident	79 Å²	79	54 Å²	54	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175.4	-73.7	172.4	176.2	161.1	-12.2	112.5	R151 D152 R153 K157 M158 E159 G254	R151-R155 WeakPolarHBondContact O-CG 3.43Å; R151-R155 PolarHBondContact O-N 2.63Å; R151-R155 VanDerWaalsContact O-N 3.17Å; D152-R155 WeakPolarHBondContact O-CB 3.4Å; D152-R155 PolarHBondContact O-N 2.89Å; D152-R155 IonicContact OD1-CZ 2.91Å; D152-R155 IonicContact OD1-NH1 3.6Å; D152-R155 PolarHBondContact OD1-NH1 3.07Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R155-K157 VanDerWaalsContact C-N 3.29Å; R155-K157 PolarHBondContact O-N 3.06Å; R155-M158 PolarHBondContact O-N 3.14Å; R155-M158 VanDerWaalsContact O-N 3.14Å; R155-E159 WeakPolarHBondContact O-CB 3.29Å; R155-E159 PolarHBondContact O-N 2.86Å; R155-G254 WeakPolarHBondContact CB-O 3.17Å
156	S	73.4	Confident	74.6	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-33.3	179.6	-58.6	0	0	0	0	113.2	D152 R153 R160	D152-S156 PolarHBondContact O-N 2.89Å; D152-S156 PolarHBondContact O-OG 3.3Å; D152-S156 VanDerWaalsContact O-OG 3.14Å; R153-S156 PolarHBondContact O-N 3.12Å; S156-R160 PolarHBondContact O-N 3.37Å
157	K	74.8	Confident	75.5	Confident	57 Å²	57	57.2 Å²	57.2	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-44.8	173.1	-171.7	174.7	-171.2	165.8	0	111.4	R153 V154 R155 R160 D161 L422 R424	R153-K157 PolarHBondContact O-N 3.28Å; V154-K157 PolarHBondContact O-N 3.48Å; R155-K157 VanDerWaalsContact C-N 3.29Å; R155-K157 PolarHBondContact O-N 3.06Å; K157-R160 WeakPolarHBondContact O-CB 3.39Å; K157-R160 PolarHBondContact O-N 3.28Å; K157-D161 PolarHBondContact O-N 2.77Å; K157-L422 PolarHBondContact NZ-O 2.97Å; K157-R424 PolarHBondContact NZ-O 2.84Å
158	M	74.8	Confident	76.7	Confident	45 Å²	45	54.2 Å²	54.2	22%	0.222	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-37.8	179	-167.8	167	61.1	0	0	112.3	V154 R155 R160 D161 I162 S256 K257	V154-M158 WeakPolarHBondContact O-CB 3.45Å; V154-M158 PolarHBondContact O-N 3.26Å; R155-M158 PolarHBondContact O-N 3.14Å; R155-M158 VanDerWaalsContact O-N 3.14Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 2.96Å; M158-D161 PolarHBondContact O-N 3.28Å; M158-I162 HydrophobicContact CG-CD1 4.05Å; M158-I162 WeakPolarHBondContact O-CB 3.47Å; M158-I162 WeakPolarHBondContact O-CG1 3.17Å; M158-I162 PolarHBondContact O-N 3.37Å; M158-S256 WeakPolarHBondContact CE-O 3.45Å; M158-K257 HydrophobicContact CE-CB 4.34Å
159	E	83.3	Confident	78.1	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-55.9	-48.9	172.1	179.9	178.8	-171.3	0	0	110.7	K141 R155 L163 L186 F253	K141-E159 IonicContact NZ-OE1 2.69Å; K141-E159 PolarHBondContact NZ-OE1 3.47Å; K141-E159 IonicContact NZ-OE2 3.64Å; R155-E159 WeakPolarHBondContact O-CB 3.29Å; R155-E159 PolarHBondContact O-N 2.86Å; E159-L163 HydrophobicContact CG-CD1 4.01Å; E159-L163 WeakPolarHBondContact O-CB 3.25Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.24Å; E159-L163 PolarHBondContact O-N 3.26Å; E159-L186 HydrophobicContact CG-CD1 4.44Å; E159-F253 HydrophobicContact CG-CB 3.98Å
160	R	83.7	Confident	79.5	Confident	24 Å²	24	47.8 Å²	47.8	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-46.5	175.6	-175.9	-77	-52.2	-134.6	-1.8	111.9	S156 K157 M158 L163 A164 L174 A177 L186 G425 F426	S156-R160 PolarHBondContact O-N 3.37Å; K157-R160 WeakPolarHBondContact O-CB 3.39Å; K157-R160 PolarHBondContact O-N 3.28Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 2.96Å; R160-L163 PolarHBondContact O-N 3.49Å; R160-A164 WeakPolarHBondContact O-CB 3.49Å; R160-A164 PolarHBondContact O-N 3.22Å; R160-L174 HydrophobicContact CG-CD2 4.19Å; R160-A177 HydrophobicContact CG-CB 3.73Å; R160-L186 HydrophobicContact CB-CD2 4Å; R160-L186 HydrophobicContact CG-CD2 3.91Å; R160-G425 VanDerWaalsContact CZ-O 3.31Å; R160-G425 PolarHBondContact NH1-O 2.88Å; R160-G425 PolarHBondContact NH2-O 3.32Å; R160-G425 VanDerWaalsContact NH2-O 3.15Å; R160-F426 HydrophobicContact CB-CD2 4.37Å; R160-F426 HydrophobicContact CB-CE2 3.77Å; R160-F426 HydrophobicContact CB-CZ 4.2Å; R160-F426 HydrophobicContact CG-CD2 4.27Å; R160-F426 HydrophobicContact CG-CE2 3.95Å; R160-F426 HydrophobicContact CG-CZ 4.14Å; R160-F426 PolarHBondContact NH1-O 2.81Å; R160-F426 VanDerWaalsContact NH1-O 3.17Å
161	D	80.3	Confident	80.8	Confident	58 Å²	58	43 Å²	43	31%	0.31	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-45.8	-178.6	-66	-16.5	0	0	0	111.1	K157 M158 A164 E165	K157-D161 PolarHBondContact O-N 2.77Å; M158-D161 PolarHBondContact O-N 3.28Å; D161-A164 PolarHBondContact O-N 3.09Å; D161-E165 PolarHBondContact O-N 3.03Å
162	I	83.3	Confident	82.1	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-51.3	175.4	-73.4	167.7	0	0	0	110.7	M158 A164 E165 V166 I230 F253	M158-I162 HydrophobicContact CG-CD1 4.05Å; M158-I162 WeakPolarHBondContact O-CB 3.47Å; M158-I162 WeakPolarHBondContact O-CG1 3.17Å; M158-I162 PolarHBondContact O-N 3.37Å; I162-A164 PolarHBondContact O-N 3.43Å; I162-E165 PolarHBondContact O-N 2.8Å; I162-V166 HydrophobicContact CG2-CG2 4.08Å; I162-V166 WeakPolarHBondContact O-CG2 3.36Å; I162-V166 PolarHBondContact O-N 3.02Å; I162-I230 HydrophobicContact CD1-CG2 4.14Å; I162-I230 HydrophobicContact CG1-CD1 4.25Å; I162-I230 HydrophobicContact CG2-CD1 4.01Å; I162-I230 HydrophobicContact CG2-CG2 4.43Å; I162-F253 HydrophobicContact CG2-CB 4.38Å; I162-F253 HydrophobicContact CG2-CD1 3.68Å; I162-F253 HydrophobicContact CG2-CE1 4.3Å; I162-F253 HydrophobicContact CG2-CG 4.2Å
163	L	84.7	Confident	83.3	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-23.7	-178	-77.2	171	0	0	0	113.5	E159 R160 V172 L174 L188 F253	E159-L163 HydrophobicContact CG-CD1 4.01Å; E159-L163 WeakPolarHBondContact O-CB 3.25Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.24Å; E159-L163 PolarHBondContact O-N 3.26Å; R160-L163 PolarHBondContact O-N 3.49Å; L163-V172 HydrophobicContact CD2-CG1 3.84Å; L163-L174 HydrophobicContact CB-CB 3.8Å; L163-L174 HydrophobicContact CB-CD2 3.95Å; L163-L174 HydrophobicContact CB-CG 4.44Å; L163-L188 HydrophobicContact CD1-CD2 4Å; L163-F253 HydrophobicContact CD2-CD2 3.49Å; L163-F253 VanDerWaalsContact CD2-CD2 3.49Å; L163-F253 HydrophobicContact CD2-CE2 3.77Å; L163-F253 HydrophobicContact CD2-CG 4.2Å; L163-F253 HydrophobicContact CG-CB 4.44Å; L163-F253 HydrophobicContact CG-CD2 4.04Å; L163-F253 HydrophobicContact CG-CG 4.36Å
164	A	81.6	Confident	84.3	Confident	38 Å²	38	34 Å²	34	31%	0.314	18%	0.175	S	C	.	.	H	α-helix	trans	-78.1	-23.3	174.3	0	0	0	0	0	113	R160 D161 I162 L174 F428	R160-A164 WeakPolarHBondContact O-CB 3.49Å; R160-A164 PolarHBondContact O-N 3.22Å; D161-A164 PolarHBondContact O-N 3.09Å; I162-A164 PolarHBondContact O-N 3.43Å; A164-L174 HydrophobicContact CB-CD2 4.41Å; A164-F428 HydrophobicContact CB-CD2 4.17Å; A164-F428 HydrophobicContact CB-CE1 4.32Å; A164-F428 HydrophobicContact CB-CE2 3.92Å; A164-F428 HydrophobicContact CB-CG 4.48Å; A164-F428 HydrophobicContact CB-CZ 4Å
165	E	79.4	Confident	85.2	Confident	87 Å²	87	31.3 Å²	31.3	41%	0.407	16%	0.157	S	C	.	.	H	α-helix	trans	-93.5	-26.7	179.3	-67.8	-169.2	179.1	0	0	113.1	R60 D161 I162	R60-E165 IonicContact CZ-OE1 3.28Å; R60-E165 IonicContact CZ-OE2 3.83Å; R60-E165 IonicContact NH1-OE1 3.82Å; R60-E165 PolarHBondContact NH1-OE1 3.38Å; R60-E165 IonicContact NH1-OE2 3.51Å; R60-E165 PolarHBondContact NH1-OE2 2.84Å; R60-E165 IonicContact NH2-OE2 3.75Å; D161-E165 PolarHBondContact O-N 3.03Å; I162-E165 PolarHBondContact O-N 2.8Å
166	V	85.1	Confident	85.8	Confident	10 Å²	10	28.3 Å²	28.3	6%	0.061	15%	0.146	C	C	.	.			trans	-84	129.3	-175.7	172.5	0	0	0	0	111.5	I162 I171 L225 L228 I230	I162-V166 HydrophobicContact CG2-CG2 4.08Å; I162-V166 WeakPolarHBondContact O-CG2 3.36Å; I162-V166 PolarHBondContact O-N 3.02Å; V166-I171 HydrophobicContact CG1-CB 3.99Å; V166-I171 HydrophobicContact CG1-CD1 3.53Å; V166-I171 HydrophobicContact CG1-CG1 4.34Å; V166-I171 HydrophobicContact CG1-CG2 3.63Å; V166-L225 HydrophobicContact CG1-CD2 4.35Å; V166-L225 HydrophobicContact CG2-CD2 3.7Å; V166-L228 HydrophobicContact CG2-CD1 3.93Å; V166-I230 HydrophobicContact CG2-CD1 4.11Å
167	N	86.7	Confident	86.4	Confident	113 Å²	113	28 Å²	28	60%	0.604	14%	0.144	S	C	*	.			trans	-138.7	101.5	172.4	-175.7	33.2	0	0	0	110
168	H	93.8	Very high	86.8	Confident	12 Å²	12	25.5 Å²	25.5	6%	0.056	13%	0.133	C	C	.	.			trans	-150.8	141.2	-174.5	-168.8	-93.4	0	0	0	111	F170 I171 L220 H224 Y377	H168-F170 AromaticContact CE1-CD2 3.67Å; H168-F170 PolarHBondContact ND1-N 3.18Å; H168-F170 PolarHBondContact O-N 2.99Å; H168-F170 VanDerWaalsContact O-N 3.16Å; H168-I171 HydrophobicContact CB-CB 4.15Å; H168-I171 HydrophobicContact CB-CD1 3.85Å; H168-I171 HydrophobicContact CB-CG1 4.01Å; H168-I171 PolarHBondContact O-N 2.77Å; H168-I171 VanDerWaalsContact O-N 3.11Å; H168-L220 PolarHBondContact NE2-O 3.35Å; H168-H224 HydrophobicContact CB-CB 4.5Å; H168-H224 AromaticContact CD2-CG 3.73Å; H168-Y377 AromaticContact CD2-CE2 3.68Å; H168-Y377 AromaticContact NE2-CD2 3.81Å; H168-Y377 AromaticContact NE2-CE2 3.36Å; H168-Y377 WeakPolarHBondContact NE2-CE2 3.5Å
169	P	95.3	Very high	87.1	Confident	29 Å²	29	25.9 Å²	25.9	19%	0.188	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.1	-175.9	19.8	-33.3	0	0	0	114	K249 Y377	P169-K249 VanDerWaalsContact O-CE 3.29Å; P169-K249 WeakPolarHBondContact O-CE 3.28Å; P169-Y377 HydrophobicContact CG-CD2 4.14Å; P169-Y377 HydrophobicContact CG-CE2 4.01Å; P169-Y377 HydrophobicContact CG-CG 4.49Å; P169-Y377 WeakPolarHBondContact CG-O 3.4Å
170	F	96.8	Very high	87	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	19.7	-177.9	-51.9	-52.7	0	0	0	113.9	H168 E217 L220 A221 H247 I248 K249 I250 L376 K379	H168-F170 AromaticContact CE1-CD2 3.67Å; H168-F170 PolarHBondContact ND1-N 3.18Å; H168-F170 PolarHBondContact O-N 2.99Å; H168-F170 VanDerWaalsContact O-N 3.16Å; F170-E217 HydrophobicContact CD1-CB 4.1Å; F170-E217 HydrophobicContact CD1-CG 4.27Å; F170-E217 HydrophobicContact CD2-CB 3.98Å; F170-E217 HydrophobicContact CD2-CG 4.44Å; F170-E217 HydrophobicContact CE1-CB 4.16Å; F170-E217 VanDerWaalsContact CE1-CD 3.46Å; F170-E217 HydrophobicContact CE1-CG 3.83Å; F170-E217 VanDerWaalsContact CE1-OE1 3.23Å; F170-E217 WeakPolarHBondContact CE1-OE1 3.14Å; F170-E217 HydrophobicContact CE2-CB 4.08Å; F170-E217 HydrophobicContact CE2-CG 4.06Å; F170-E217 HydrophobicContact CG-CB 4.02Å; F170-E217 HydrophobicContact CZ-CB 4.14Å; F170-E217 HydrophobicContact CZ-CG 3.71Å; F170-L220 HydrophobicContact CD2-CB 4.15Å; F170-L220 HydrophobicContact CD2-CD1 4.36Å; F170-L220 HydrophobicContact CE2-CB 4.43Å; F170-L220 HydrophobicContact CE2-CD1 3.8Å; F170-A221 HydrophobicContact CB-CB 4.04Å; F170-H247 HydrophobicContact CD1-CB 4.43Å; F170-H247 HydrophobicContact CE1-CB 4.09Å; F170-I248 WeakPolarHBondContact CA-O 3.36Å; F170-I248 WeakPolarHBondContact CD1-O 3.37Å; F170-K249 WeakPolarHBondContact O-CA 3.48Å; F170-I250 PolarHBondContact O-N 3.03Å; F170-L376 HydrophobicContact CE2-CG 4.48Å; F170-L376 HydrophobicContact CZ-CG 4.34Å; F170-L376 VanDerWaalsContact CZ-O 3.24Å; F170-L376 WeakPolarHBondContact CZ-O 3.35Å; F170-K379 HydrophobicContact CE1-CG 4.07Å; F170-K379 HydrophobicContact CZ-CG 4.33Å
171	I	95.1	Very high	86.5	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.015	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-126.3	139.5	172.9	-60.6	175.1	0	0	0	108.7	V166 H168 K173 A221 L225 F253	V166-I171 HydrophobicContact CG1-CB 3.99Å; V166-I171 HydrophobicContact CG1-CD1 3.53Å; V166-I171 HydrophobicContact CG1-CG1 4.34Å; V166-I171 HydrophobicContact CG1-CG2 3.63Å; H168-I171 HydrophobicContact CB-CB 4.15Å; H168-I171 HydrophobicContact CB-CD1 3.85Å; H168-I171 HydrophobicContact CB-CG1 4.01Å; H168-I171 PolarHBondContact O-N 2.77Å; H168-I171 VanDerWaalsContact O-N 3.11Å; I171-K173 PolarHBondContact O-N 3.25Å; I171-A221 HydrophobicContact CD1-CB 4.26Å; I171-A221 HydrophobicContact CG1-CB 3.89Å; I171-L225 HydrophobicContact CD1-CD1 4.24Å; I171-L225 HydrophobicContact CD1-CD2 3.9Å; I171-L225 HydrophobicContact CD1-CG 3.8Å; I171-F253 HydrophobicContact CG2-CE1 4.5Å; I171-F253 HydrophobicContact CG2-CE2 3.76Å; I171-F253 HydrophobicContact CG2-CZ 3.43Å; I171-F253 VanDerWaalsContact CG2-CZ 3.43Å
172	V	93.4	Very high	86.1	Confident	5 Å²	5	30.5 Å²	30.5	3%	0.03	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-59.6	132.3	177.4	73.9	0	0	0	0	110.8	L163 L188 D189 L191 I250 F253	L163-V172 HydrophobicContact CD2-CG1 3.84Å; V172-L188 HydrophobicContact CG2-CB 3.99Å; V172-D189 HydrophobicContact CG2-CB 3.94Å; V172-L191 HydrophobicContact CG2-CD1 4.43Å; V172-I250 WeakPolarHBondContact CB-O 3.45Å; V172-I250 WeakPolarHBondContact CG1-O 3.42Å; V172-I250 PolarHBondContact N-O 3.4Å; V172-F253 HydrophobicContact CG1-CE2 4.14Å
173	K	91.6	Very high	86.1	Confident	53 Å²	53	30.9 Å²	30.9	23%	0.23	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-87.6	138.8	178	-171.2	173.1	-179.8	176.3	0	111.5	I171 L188 D189	I171-K173 PolarHBondContact O-N 3.25Å; K173-L188 VanDerWaalsContact O-CA 3.31Å; K173-L188 WeakPolarHBondContact O-CA 3.31Å; K173-D189 WeakPolarHBondContact CB-OD2 3.2Å; K173-D189 PolarHBondContact N-OD2 2.77Å; K173-D189 PolarHBondContact O-N 3.1Å; K173-D189 VanDerWaalsContact O-N 3.16Å
174	L	90.8	Very high	86	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.5	166.5	176.9	72.1	0	0	0	110	R160 L163 A164 Y176 A177 L186 L188 F428	R160-L174 HydrophobicContact CG-CD2 4.19Å; L163-L174 HydrophobicContact CB-CB 3.8Å; L163-L174 HydrophobicContact CB-CD2 3.95Å; L163-L174 HydrophobicContact CB-CG 4.44Å; A164-L174 HydrophobicContact CB-CD2 4.41Å; L174-Y176 VanDerWaalsContact CD1-O 3.24Å; L174-Y176 WeakPolarHBondContact CD1-O 3.38Å; L174-A177 HydrophobicContact CD1-CB 4.43Å; L174-A177 HydrophobicContact CD2-CB 4.36Å; L174-L186 HydrophobicContact CD1-CB 4.11Å; L174-L186 HydrophobicContact CD1-CD2 3.9Å; L174-L188 HydrophobicContact CB-CD2 4.12Å; L174-L188 HydrophobicContact CD1-CD2 3.74Å; L174-F428 HydrophobicContact CD2-CD1 3.87Å; L174-F428 HydrophobicContact CD2-CE1 4.19Å; L174-F428 HydrophobicContact CG-CD1 4.13Å; L174-F428 HydrophobicContact CG-CE1 4.27Å
175	H	88.3	Confident	86.2	Confident	22 Å²	22	29.1 Å²	29.1	10%	0.102	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-44.6	179.1	-65.8	-92.6	0	0	0	111.4	Y138 I187 D189 A430	Y138-H175 AromaticContact CD1-CD2 3.86Å; Y138-H175 HydrophobicContact CE1-CB 4.05Å; Y138-H175 AromaticContact CE1-CD2 3.56Å; Y138-H175 AromaticContact CE1-CE1 3.91Å; Y138-H175 AromaticContact CE1-CG 3.53Å; Y138-H175 AromaticContact CE1-ND1 3.79Å; Y138-H175 AromaticContact CE1-NE2 3.81Å; H175-I187 PolarHBondContact N-O 3.48Å; H175-D189 IonicContact CD2-OD1 3.87Å; H175-D189 IonicContact CE1-OD1 3.85Å; H175-D189 IonicContact NE2-OD1 2.89Å; H175-D189 PolarHBondContact NE2-OD1 3.48Å; H175-A430 PolarHBondContact O-N 3.32Å
176	Y	86.8	Confident	86.6	Confident	16 Å²	16	25 Å²	25	6%	0.063	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.4	-179.9	-48.9	-90.6	0	0	0	110.3	A104 F109 K128 D133 Y138 L174 I187 F428 V429	A104-Y176 HydrophobicContact CB-CD1 4.05Å; F109-Y176 HydrophobicContact CE1-CD2 4.39Å; F109-Y176 AromaticContact CZ-CD2 3.94Å; F109-Y176 HydrophobicContact CZ-CD2 3.94Å; F109-Y176 HydrophobicContact CZ-CE2 4.37Å; F109-Y176 HydrophobicContact CZ-CG 4.24Å; K128-Y176 HydrophobicContact CD-CE2 4.49Å; K128-Y176 VanDerWaalsContact NZ-CZ 3.29Å; K128-Y176 PolarHBondContact NZ-OH 2.8Å; D133-Y176 PolarHBondContact OD1-OH 2.93Å; D133-Y176 PolarHBondContact OD2-OH 2.99Å; Y138-Y176 HydrophobicContact CE2-CE2 4.42Å; L174-Y176 VanDerWaalsContact CD1-O 3.24Å; L174-Y176 WeakPolarHBondContact CD1-O 3.38Å; Y176-I187 HydrophobicContact CD2-CB 3.87Å; Y176-I187 HydrophobicContact CD2-CG1 4.24Å; Y176-I187 HydrophobicContact CD2-CG2 3.8Å; Y176-I187 HydrophobicContact CG-CB 4.33Å; Y176-I187 HydrophobicContact CG-CG1 4.38Å; Y176-I187 PolarHBondContact N-O 2.78Å; Y176-I187 PolarHBondContact O-N 3.35Å; Y176-F428 CarbonylContact C-O 3.2Å; Y176-F428 WeakPolarHBondContact CA-O 3.5Å; Y176-V429 HydrophobicContact CD1-CB 4.39Å; Y176-V429 HydrophobicContact CD1-CG1 3.93Å; Y176-V429 HydrophobicContact CD1-CG2 4.14Å; Y176-V429 HydrophobicContact CE1-CG1 3.72Å
177	A	84.4	Confident	86.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.6	161	0	0	0	0	0	108.4	R160 L174 Y185 L186 F426 S427 F428	R160-A177 HydrophobicContact CG-CB 3.73Å; L174-A177 HydrophobicContact CD1-CB 4.43Å; L174-A177 HydrophobicContact CD2-CB 4.36Å; A177-Y185 VanDerWaalsContact CA-O 3.32Å; A177-Y185 WeakPolarHBondContact CA-O 3.31Å; A177-L186 HydrophobicContact CB-CD2 3.76Å; A177-F426 HydrophobicContact CB-CD1 4.27Å; A177-F426 HydrophobicContact CB-CE1 3.95Å; A177-S427 CarbonylContact O-C 3.57Å; A177-S427 WeakPolarHBondContact O-CA 3.32Å; A177-F428 HydrophobicContact CB-CB 4Å; A177-F428 PolarHBondContact N-O 3.34Å; A177-F428 PolarHBondContact O-N 3.22Å
178	F	84.9	Confident	87.2	Confident	3 Å²	3	19.7 Å²	19.7	1%	0.013	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	173.3	175	56.1	-91.6	0	0	0	110.2	A104 P106 F109 M140 Y185 I187 F426	A104-F178 HydrophobicContact CB-CB 4.28Å; A104-F178 HydrophobicContact CB-CD1 3.63Å; A104-F178 HydrophobicContact CB-CE1 4.31Å; A104-F178 HydrophobicContact CB-CG 4.22Å; P106-F178 HydrophobicContact CB-CE2 4.19Å; P106-F178 VanDerWaalsContact CD-CE2 3.43Å; P106-F178 HydrophobicContact CG-CD2 4.32Å; P106-F178 HydrophobicContact CG-CE2 3.66Å; F109-F178 HydrophobicContact CD2-CE1 4.21Å; F109-F178 HydrophobicContact CD2-CZ 4.06Å; F109-F178 AromaticContact CE2-CE1 3.63Å; F109-F178 HydrophobicContact CE2-CE1 3.63Å; F109-F178 AromaticContact CE2-CZ 3.96Å; F109-F178 HydrophobicContact CE2-CZ 3.96Å; F109-F178 HydrophobicContact CZ-CE1 4.36Å; M140-F178 HydrophobicContact CE-CZ 4.36Å; F178-Y185 AromaticContact CD2-CD2 3.66Å; F178-Y185 HydrophobicContact CD2-CD2 3.66Å; F178-Y185 HydrophobicContact CD2-CE2 4.5Å; F178-Y185 AromaticContact CD2-CG 3.75Å; F178-Y185 HydrophobicContact CD2-CG 3.75Å; F178-Y185 AromaticContact CE2-CD1 3.72Å; F178-Y185 HydrophobicContact CE2-CD1 3.72Å; F178-Y185 AromaticContact CE2-CD2 3.5Å; F178-Y185 HydrophobicContact CE2-CD2 3.5Å; F178-Y185 HydrophobicContact CE2-CE1 4.39Å; F178-Y185 HydrophobicContact CE2-CE2 4.2Å; F178-Y185 AromaticContact CE2-CG 3.23Å; F178-Y185 HydrophobicContact CE2-CG 3.23Å; F178-Y185 HydrophobicContact CZ-CD1 4.04Å; F178-Y185 HydrophobicContact CZ-CD2 4.48Å; F178-Y185 AromaticContact CZ-CG 3.81Å; F178-Y185 HydrophobicContact CZ-CG 3.81Å; F178-Y185 PolarHBondContact N-O 2.93Å; F178-Y185 PolarHBondContact O-N 2.9Å; F178-I187 HydrophobicContact CE1-CD1 3.9Å; F178-I187 HydrophobicContact CE1-CG1 3.71Å; F178-I187 HydrophobicContact CZ-CD1 4.18Å; F178-I187 HydrophobicContact CZ-CG1 4.47Å; F178-F426 WeakPolarHBondContact O-CE1 3.44Å
179	Q	80.5	Confident	87.1	Confident	54 Å²	54	20.5 Å²	20.5	25%	0.252	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.6	-177.6	63.4	-179.7	-41	0	0	110.8	K183 L184 F423 F426	Q179-K183 WeakPolarHBondContact CA-O 3.35Å; Q179-K183 WeakPolarHBondContact CB-O 3.43Å; Q179-L184 HydrophobicContact CB-CD2 3.75Å; Q179-F423 PolarHBondContact NE2-O 2.93Å; Q179-F423 VanDerWaalsContact OE1-CB 3.3Å; Q179-F426 HydrophobicContact CB-CD1 4.28Å
180	T	80.6	Confident	86.9	Confident	48 Å²	48	20.3 Å²	20.3	29%	0.294	10%	0.099	S	C	.	.			trans	-109.1	-176.8	165.4	60.2	0	0	0	0	109	P106 K145 G182 K183 Y185	P106-T180 HydrophobicContact CG-CG2 3.77Å; K145-T180 PolarHBondContact NZ-O 2.68Å; T180-G182 VanDerWaalsContact C-N 3.29Å; T180-G182 PolarHBondContact O-N 3.07Å; T180-K183 PolarHBondContact N-O 3.41Å; T180-K183 PolarHBondContact OG1-N 3.03Å; T180-Y185 HydrophobicContact CG2-CE2 3.75Å
181	E	73.4	Confident	86.6	Confident	134 Å²	134	20.8 Å²	20.8	63%	0.626	10%	0.101	S	C	*	.	S	Bend	trans	-55.7	-45.7	176.3	-67.3	-175	169.6	0	0	111.8	K145 P414 P415	K145-E181 WeakPolarHBondContact CD-O 3.16Å; E181-P414 HydrophobicContact CB-CB 4.47Å; E181-P415 WeakPolarHBondContact O-CD 3.29Å
182	G	71.7	Confident	86	Confident	3 Å²	3	21.8 Å²	21.8	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	-96.9	-10.6	-175.7	0	0	0	0	0	116.7	K145 T180	K145-G182 WeakPolarHBondContact CB-O 3.34Å; K145-G182 PolarHBondContact N-O 3.2Å; T180-G182 VanDerWaalsContact C-N 3.29Å; T180-G182 PolarHBondContact O-N 3.07Å
183	K	82.7	Confident	85.2	Confident	8 Å²	8	21.8 Å²	21.8	4%	0.035	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.1	-166.9	-62.5	169.4	-175.9	175.2	0	114.8	V142 L143 K145 Q179 T180 Y185 D409 S410	V142-K183 HydrophobicContact CG1-CB 4.41Å; V142-K183 HydrophobicContact CG1-CD 3.9Å; V142-K183 HydrophobicContact CG1-CG 4.44Å; L143-K183 CarbonylContact O-C 3.48Å; L143-K183 VanDerWaalsContact O-CA 3.24Å; L143-K183 WeakPolarHBondContact O-CA 3.2Å; L143-K183 WeakPolarHBondContact O-CB 3.08Å; K145-K183 WeakPolarHBondContact CE-O 3.44Å; Q179-K183 WeakPolarHBondContact CA-O 3.35Å; Q179-K183 WeakPolarHBondContact CB-O 3.43Å; T180-K183 PolarHBondContact N-O 3.41Å; T180-K183 PolarHBondContact OG1-N 3.03Å; K183-Y185 HydrophobicContact CB-CD2 4.38Å; K183-Y185 HydrophobicContact CB-CE2 3.61Å; K183-Y185 HydrophobicContact CD-CE2 4.35Å; K183-Y185 WeakPolarHBondContact CD-OH 3.43Å; K183-D409 IonicContact NZ-OD1 2.87Å; K183-D409 PolarHBondContact NZ-OD1 3.29Å; K183-D409 IonicContact NZ-OD2 2.72Å; K183-D409 PolarHBondContact NZ-OD2 3.42Å; K183-S410 WeakPolarHBondContact CE-O 3.21Å; K183-S410 PolarHBondContact NZ-O 2.98Å
184	L	82.6	Confident	84.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.8	169.9	-57.4	174.8	0	0	0	109.4	V142 L143 K145 L148 Q179 F423 F426	V142-L184 WeakPolarHBondContact CA-O 3.39Å; L143-L184 HydrophobicContact CB-CB 4.4Å; L143-L184 HydrophobicContact CD1-CB 4.34Å; L143-L184 PolarHBondContact N-O 3.22Å; L143-L184 PolarHBondContact O-N 3.04Å; K145-L184 VanDerWaalsContact CE-CD2 3.43Å; K145-L184 HydrophobicContact CG-CD2 4.46Å; K145-L184 HydrophobicContact CG-CG 4.15Å; L148-L184 HydrophobicContact CD1-CD1 4.12Å; Q179-L184 HydrophobicContact CB-CD2 3.75Å; L184-F423 HydrophobicContact CD1-CD1 3.93Å; L184-F423 HydrophobicContact CD1-CE1 3.51Å; L184-F423 HydrophobicContact CD1-CZ 3.97Å; L184-F423 HydrophobicContact CD2-CB 4.48Å; L184-F423 HydrophobicContact CD2-CD1 3.97Å; L184-F423 HydrophobicContact CD2-CE1 4.34Å; L184-F423 HydrophobicContact CD2-CG 4.17Å; L184-F423 HydrophobicContact CG-CE1 4.45Å; L184-F426 HydrophobicContact CB-CE1 4.01Å; L184-F426 HydrophobicContact CB-CZ 3.9Å; L184-F426 HydrophobicContact CD1-CE2 4.13Å; L184-F426 HydrophobicContact CD1-CZ 4.24Å; L184-F426 HydrophobicContact CD2-CD1 3.99Å; L184-F426 HydrophobicContact CD2-CD2 4.2Å; L184-F426 HydrophobicContact CD2-CE1 4.03Å; L184-F426 HydrophobicContact CD2-CE2 4.24Å; L184-F426 HydrophobicContact CD2-CG 4.07Å; L184-F426 HydrophobicContact CD2-CZ 4.15Å; L184-F426 HydrophobicContact CG-CZ 4.32Å
185	Y	86.1	Confident	84	Confident	7 Å²	7	21 Å²	21	3%	0.027	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.2	-177.8	-62.5	-99.1	0	0	0	109.8	P106 M140 K141 V142 A177 F178 T180 K183 D409	P106-Y185 HydrophobicContact CG-CE1 4.45Å; P106-Y185 HydrophobicContact CG-CE2 4.2Å; M140-Y185 HydrophobicContact CG-CD1 4.21Å; M140-Y185 HydrophobicContact SD-CD1 3.84Å; M140-Y185 HydrophobicContact SD-CE1 4.17Å; K141-Y185 WeakPolarHBondContact O-CA 3.46Å; V142-Y185 HydrophobicContact CB-CD1 4.44Å; V142-Y185 HydrophobicContact CB-CE1 4.37Å; V142-Y185 HydrophobicContact CG1-CD1 4.18Å; V142-Y185 HydrophobicContact CG1-CE1 3.75Å; V142-Y185 HydrophobicContact CG2-CD1 3.72Å; V142-Y185 HydrophobicContact CG2-CE1 3.74Å; A177-Y185 VanDerWaalsContact CA-O 3.32Å; A177-Y185 WeakPolarHBondContact CA-O 3.31Å; F178-Y185 AromaticContact CD2-CD2 3.66Å; F178-Y185 HydrophobicContact CD2-CD2 3.66Å; F178-Y185 HydrophobicContact CD2-CE2 4.5Å; F178-Y185 AromaticContact CD2-CG 3.75Å; F178-Y185 HydrophobicContact CD2-CG 3.75Å; F178-Y185 AromaticContact CE2-CD1 3.72Å; F178-Y185 HydrophobicContact CE2-CD1 3.72Å; F178-Y185 AromaticContact CE2-CD2 3.5Å; F178-Y185 HydrophobicContact CE2-CD2 3.5Å; F178-Y185 HydrophobicContact CE2-CE1 4.39Å; F178-Y185 HydrophobicContact CE2-CE2 4.2Å; F178-Y185 AromaticContact CE2-CG 3.23Å; F178-Y185 HydrophobicContact CE2-CG 3.23Å; F178-Y185 HydrophobicContact CZ-CD1 4.04Å; F178-Y185 HydrophobicContact CZ-CD2 4.48Å; F178-Y185 AromaticContact CZ-CG 3.81Å; F178-Y185 HydrophobicContact CZ-CG 3.81Å; F178-Y185 PolarHBondContact N-O 2.93Å; F178-Y185 PolarHBondContact O-N 2.9Å; T180-Y185 HydrophobicContact CG2-CE2 3.75Å; K183-Y185 HydrophobicContact CB-CD2 4.38Å; K183-Y185 HydrophobicContact CB-CE2 3.61Å; K183-Y185 HydrophobicContact CD-CE2 4.35Å; K183-Y185 WeakPolarHBondContact CD-OH 3.43Å; Y185-D409 PolarHBondContact OH-OD2 3.28Å
186	L	88.7	Confident	83.2	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.9	170.5	-60.9	173.6	0	0	0	108.1	M140 K141 E159 R160 L174 A177 L188 F426	M140-L186 WeakPolarHBondContact CA-O 3.3Å; K141-L186 HydrophobicContact CB-CB 4.32Å; K141-L186 PolarHBondContact N-O 3.47Å; K141-L186 PolarHBondContact O-N 3.4Å; E159-L186 HydrophobicContact CG-CD1 4.44Å; R160-L186 HydrophobicContact CB-CD2 4Å; R160-L186 HydrophobicContact CG-CD2 3.91Å; L174-L186 HydrophobicContact CD1-CB 4.11Å; L174-L186 HydrophobicContact CD1-CD2 3.9Å; A177-L186 HydrophobicContact CB-CD2 3.76Å; L186-L188 HydrophobicContact CB-CG 4.46Å; L186-F426 HydrophobicContact CD2-CE1 4.15Å; L186-F426 HydrophobicContact CD2-CZ 3.67Å; L186-F426 HydrophobicContact CG-CZ 4.29Å
187	I	91.7	Very high	82.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110	178.5	-49.3	-57.5	0	0	0	108.1	F109 Y138 M140 H175 Y176 F178	F109-I187 HydrophobicContact CE1-CD1 4.3Å; F109-I187 HydrophobicContact CE1-CG1 4.18Å; F109-I187 HydrophobicContact CE1-CG2 3.91Å; F109-I187 HydrophobicContact CE2-CD1 4.41Å; F109-I187 HydrophobicContact CE2-CG1 4.31Å; F109-I187 HydrophobicContact CZ-CD1 4.26Å; F109-I187 HydrophobicContact CZ-CG1 3.89Å; F109-I187 HydrophobicContact CZ-CG2 4.31Å; Y138-I187 VanDerWaalsContact CB-CG2 3.45Å; Y138-I187 HydrophobicContact CD1-CG2 3.86Å; Y138-I187 HydrophobicContact CD2-CG2 4.02Å; Y138-I187 HydrophobicContact CG-CG2 3.51Å; M140-I187 HydrophobicContact CB-CD1 3.82Å; M140-I187 HydrophobicContact CE-CD1 3.6Å; M140-I187 HydrophobicContact CG-CD1 3.61Å; M140-I187 HydrophobicContact SD-CD1 4.42Å; H175-I187 PolarHBondContact N-O 3.48Å; Y176-I187 HydrophobicContact CD2-CB 3.87Å; Y176-I187 HydrophobicContact CD2-CG1 4.24Å; Y176-I187 HydrophobicContact CD2-CG2 3.8Å; Y176-I187 HydrophobicContact CG-CB 4.33Å; Y176-I187 HydrophobicContact CG-CG1 4.38Å; Y176-I187 PolarHBondContact N-O 2.78Å; Y176-I187 PolarHBondContact O-N 3.35Å; F178-I187 HydrophobicContact CE1-CD1 3.9Å; F178-I187 HydrophobicContact CE1-CG1 3.71Å; F178-I187 HydrophobicContact CZ-CD1 4.18Å; F178-I187 HydrophobicContact CZ-CG1 4.47Å
188	L	92.6	Very high	81.2	Confident	13 Å²	13	23.1 Å²	23.1	7%	0.068	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	165.8	-170.6	-56.9	173.9	0	0	0	110.9	A139 L163 V172 K173 L174 L186 F190	A139-L188 HydrophobicContact CB-CB 4.46Å; A139-L188 PolarHBondContact N-O 2.73Å; A139-L188 PolarHBondContact O-N 2.72Å; L163-L188 HydrophobicContact CD1-CD2 4Å; V172-L188 HydrophobicContact CG2-CB 3.99Å; K173-L188 VanDerWaalsContact O-CA 3.31Å; K173-L188 WeakPolarHBondContact O-CA 3.31Å; L174-L188 HydrophobicContact CB-CD2 4.12Å; L174-L188 HydrophobicContact CD1-CD2 3.74Å; L186-L188 HydrophobicContact CB-CG 4.46Å; L188-F190 PolarHBondContact O-N 2.76Å
189	D	92.3	Very high	80.2	Confident	29 Å²	29	24.6 Å²	24.6	16%	0.155	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	135	167.3	-67.5	-24.6	0	0	0	110.6	V172 K173 H175 L191 K249	V172-D189 HydrophobicContact CG2-CB 3.94Å; K173-D189 WeakPolarHBondContact CB-OD2 3.2Å; K173-D189 PolarHBondContact N-OD2 2.77Å; K173-D189 PolarHBondContact O-N 3.1Å; K173-D189 VanDerWaalsContact O-N 3.16Å; H175-D189 IonicContact CD2-OD1 3.87Å; H175-D189 IonicContact CE1-OD1 3.85Å; H175-D189 IonicContact NE2-OD1 2.89Å; H175-D189 PolarHBondContact NE2-OD1 3.48Å; D189-L191 HydrophobicContact CB-CD2 3.98Å; D189-L191 HydrophobicContact CB-CG 4.27Å; D189-K249 IonicContact OD2-NZ 2.95Å; D189-K249 PolarHBondContact OD2-NZ 3.27Å
190	F	91.3	Very high	79	Confident	25 Å²	25	23.7 Å²	23.7	11%	0.11	12%	0.119	C	C	.	.			trans	-87	110.3	168.2	176	-132	0	0	0	109.6	L115 L125 L137 L188 R192 T395 F398	L115-F190 HydrophobicContact CD1-CD2 3.8Å; L115-F190 HydrophobicContact CD1-CE2 3.64Å; L115-F190 HydrophobicContact CD2-CE2 4.05Å; L125-F190 HydrophobicContact CD1-CB 4.44Å; L125-F190 HydrophobicContact CD1-CD1 3.55Å; L125-F190 HydrophobicContact CD1-CD2 3.76Å; L125-F190 HydrophobicContact CD1-CE1 3.55Å; L125-F190 HydrophobicContact CD1-CE2 3.8Å; L125-F190 HydrophobicContact CD1-CG 3.65Å; L125-F190 HydrophobicContact CD1-CZ 3.7Å; L125-F190 HydrophobicContact CD2-CE1 4.19Å; L125-F190 HydrophobicContact CD2-CZ 4Å; L125-F190 HydrophobicContact CG-CZ 4.4Å; L137-F190 HydrophobicContact CB-CD1 4.06Å; L137-F190 HydrophobicContact CD1-CD1 4.39Å; L137-F190 HydrophobicContact CD1-CE1 4.42Å; L188-F190 PolarHBondContact O-N 2.76Å; F190-R192 HydrophobicContact CD1-CG 3.67Å; F190-R192 HydrophobicContact CE1-CG 3.35Å; F190-R192 HydrophobicContact CG-CG 4.43Å; F190-R192 HydrophobicContact CZ-CG 3.85Å; F190-T395 HydrophobicContact CZ-CG2 4.44Å; F190-F398 HydrophobicContact CD2-CZ 4.43Å; F190-F398 AromaticContact CE2-CE2 3.72Å; F190-F398 HydrophobicContact CE2-CE2 3.72Å; F190-F398 AromaticContact CE2-CZ 3.66Å; F190-F398 HydrophobicContact CE2-CZ 3.66Å; F190-F398 HydrophobicContact CZ-CE2 4.09Å; F190-F398 HydrophobicContact CZ-CZ 4.46Å
191	L	89.6	Confident	77.6	Confident	9 Å²	9	23.4 Å²	23.4	5%	0.047	12%	0.119	C	C	.	.			trans	-100.4	101.7	-176.1	-59.1	177.7	0	0	0	110	V172 D189 G193 L241 L242 D243 K249 F398	V172-L191 HydrophobicContact CG2-CD1 4.43Å; D189-L191 HydrophobicContact CB-CD2 3.98Å; D189-L191 HydrophobicContact CB-CG 4.27Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.04Å; L191-L241 HydrophobicContact CB-CB 3.99Å; L191-L241 HydrophobicContact CB-CD1 4.27Å; L191-L241 HydrophobicContact CD1-CB 3.6Å; L191-L241 HydrophobicContact CD1-CD1 4Å; L191-L241 HydrophobicContact CD1-CG 4.33Å; L191-L241 HydrophobicContact CG-CB 4.46Å; L191-L242 CarbonylContact C-O 3.58Å; L191-D243 HydrophobicContact CD2-CB 4.16Å; L191-K249 HydrophobicContact CD1-CB 3.66Å; L191-K249 HydrophobicContact CD1-CD 4.11Å; L191-K249 HydrophobicContact CD1-CG 4.15Å; L191-K249 HydrophobicContact CD2-CD 3.77Å; L191-K249 HydrophobicContact CD2-CG 4.21Å; L191-F398 WeakPolarHBondContact O-CZ 3.48Å
192	R	82.9	Confident	76.6	Confident	25 Å²	25	22.8 Å²	22.8	9%	0.094	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.4	-167.6	-66.6	176.1	70.4	-151.5	-0.1	114.1	F190 G194 E244 V389 G390 R391 P392 H397	F190-R192 HydrophobicContact CD1-CG 3.67Å; F190-R192 HydrophobicContact CE1-CG 3.35Å; F190-R192 HydrophobicContact CG-CG 4.43Å; F190-R192 HydrophobicContact CZ-CG 3.85Å; R192-G194 PolarHBondContact O-N 2.95Å; R192-E244 IonicContact NH1-OE2 2.67Å; R192-E244 PolarHBondContact NH1-OE2 3.23Å; R192-V389 HydrophobicContact CB-CG1 4.06Å; R192-G390 PolarHBondContact NH2-O 3.12Å; R192-R391 VanDerWaalsContact NH2-C 3.25Å; R192-R391 PolarHBondContact NH2-O 2.99Å; R192-P392 PolarHBondContact NE-O 3.24Å; R192-P392 VanDerWaalsContact NE-O 3.17Å; R192-H397 PolarHBondContact O-CD2 3.23Å
193	G	75.3	Confident	75.5	Confident	4 Å²	4	24 Å²	24	4%	0.041	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.9	-179	0	0	0	0	0	114.5	L191 L242	L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 3.04Å; G193-L242 VanDerWaalsContact CA-O 3.24Å; G193-L242 WeakPolarHBondContact CA-O 3.29Å; G193-L242 PolarHBondContact N-O 3.36Å
194	G	78.8	Confident	73.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.01	15%	0.145	C	C	.	.			trans	72.6	-169.8	-178.3	0	0	0	0	0	112.6	R192 L241 L242	R192-G194 PolarHBondContact O-N 2.95Å; G194-L241 CarbonylContact O-C 3.6Å; G194-L241 VanDerWaalsContact O-CA 3.29Å; G194-L241 WeakPolarHBondContact O-CA 3.5Å; G194-L242 PolarHBondContact O-N 2.95Å
195	D	78.2	Confident	72.2	Confident	40 Å²	40	30.8 Å²	30.8	21%	0.214	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-84.7	145.7	177.8	57.4	83.5	0	0	0	113	F197 T198 R199 L241	D195-F197 PolarHBondContact O-N 3.47Å; D195-F197 VanDerWaalsContact OD1-CB 3.27Å; D195-F197 WeakPolarHBondContact OD1-CB 3.33Å; D195-F197 PolarHBondContact OD1-N 3.19Å; D195-T198 PolarHBondContact O-N 2.87Å; D195-T198 VanDerWaalsContact OD1-CB 3.28Å; D195-T198 WeakPolarHBondContact OD1-CB 3.43Å; D195-T198 PolarHBondContact OD1-N 2.82Å; D195-T198 PolarHBondContact OD1-OG1 2.78Å; D195-T198 PolarHBondContact OD2-OG1 3.08Å; D195-R199 PolarHBondContact O-N 2.86Å; D195-L241 VanDerWaalsContact CA-CD2 3.49Å; D195-L241 HydrophobicContact CB-CD2 3.46Å; D195-L241 VanDerWaalsContact CB-CD2 3.46Å
196	L	72.6	Confident	71.3	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-29.9	177.5	-175.2	65.4	0	0	0	111.1	R199 L200 F206 I240 M302	L196-R199 PolarHBondContact O-N 3.33Å; L196-L200 HydrophobicContact CG-CD1 4.36Å; L196-L200 WeakPolarHBondContact O-CB 3.21Å; L196-L200 WeakPolarHBondContact O-CG 3.27Å; L196-L200 PolarHBondContact O-N 3.26Å; L196-F206 HydrophobicContact CD1-CZ 4.49Å; L196-I240 HydrophobicContact CB-CB 4.1Å; L196-I240 HydrophobicContact CB-CG2 4.15Å; L196-I240 WeakPolarHBondContact CB-O 3.07Å; L196-I240 HydrophobicContact CD2-CB 4.19Å; L196-I240 HydrophobicContact CD2-CD1 4.23Å; L196-I240 HydrophobicContact CD2-CG2 3.92Å; L196-I240 PolarHBondContact N-O 3.32Å; L196-M302 HydrophobicContact CD2-CE 4.04Å; L196-M302 HydrophobicContact CD2-SD 4.23Å
197	F	65.3	Low	70.5	Confident	43 Å²	43	32.9 Å²	32.9	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-48.5	175.1	-178.6	-88.6	0	0	0	112.8	D195 R199 L200 S201 P237 E238 R776	D195-F197 PolarHBondContact O-N 3.47Å; D195-F197 VanDerWaalsContact OD1-CB 3.27Å; D195-F197 WeakPolarHBondContact OD1-CB 3.33Å; D195-F197 PolarHBondContact OD1-N 3.19Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 3.22Å; F197-L200 CarbonylContact O-C 3.38Å; F197-L200 WeakPolarHBondContact O-CB 3.48Å; F197-L200 PolarHBondContact O-N 2.87Å; F197-S201 WeakPolarHBondContact O-CB 3.11Å; F197-S201 PolarHBondContact O-N 3.32Å; F197-S201 PolarHBondContact O-OG 2.88Å; F197-P237 HydrophobicContact CB-CB 3.85Å; F197-P237 HydrophobicContact CD2-CB 4.16Å; F197-P237 PolarHBondContact N-O 3.28Å; F197-E238 HydrophobicContact CB-CG 4.07Å; F197-E238 HydrophobicContact CD2-CG 4.11Å; F197-E238 HydrophobicContact CG-CG 4.05Å; F197-R776 VanDerWaalsContact CE2-NH1 3.25Å
198	T	64.6	Low	70.1	Confident	37 Å²	37	33.8 Å²	33.8	23%	0.227	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-39	179.6	-64.9	0	0	0	0	109.7	D195 S201 K202	D195-T198 PolarHBondContact O-N 2.87Å; D195-T198 VanDerWaalsContact OD1-CB 3.28Å; D195-T198 WeakPolarHBondContact OD1-CB 3.43Å; D195-T198 PolarHBondContact OD1-N 2.82Å; D195-T198 PolarHBondContact OD1-OG1 2.78Å; D195-T198 PolarHBondContact OD2-OG1 3.08Å; T198-S201 WeakPolarHBondContact CA-OG 3.39Å; T198-S201 PolarHBondContact O-N 3.24Å; T198-S201 PolarHBondContact O-OG 2.83Å; T198-K202 HydrophobicContact CG2-CD 3.99Å; T198-K202 HydrophobicContact CG2-CG 4.38Å; T198-K202 WeakPolarHBondContact O-CB 3.18Å; T198-K202 WeakPolarHBondContact O-CG 3.49Å; T198-K202 PolarHBondContact O-N 3.47Å
199	R	63.4	Low	69.5	Low	34 Å²	34	37.3 Å²	37.3	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-47.3	172.5	-151.7	73.6	-162	167.2	12	111.5	D195 L196 F197 S201 K202 E203 F206 F385	D195-R199 PolarHBondContact O-N 2.86Å; L196-R199 PolarHBondContact O-N 3.33Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 3.22Å; R199-S201 PolarHBondContact O-N 3.08Å; R199-S201 VanDerWaalsContact O-N 3.15Å; R199-K202 PolarHBondContact O-N 3.24Å; R199-E203 HydrophobicContact CG-CG 3.94Å; R199-E203 WeakPolarHBondContact CG-OE1 3.11Å; R199-E203 IonicContact CZ-OE2 2.75Å; R199-E203 VanDerWaalsContact CZ-OE2 3.23Å; R199-E203 IonicContact NE-OE1 2.93Å; R199-E203 IonicContact NE-OE2 3.53Å; R199-E203 PolarHBondContact NE-OE2 2.67Å; R199-E203 IonicContact NH2-OE2 3.58Å; R199-E203 PolarHBondContact NH2-OE2 3.17Å; R199-E203 VanDerWaalsContact O-CB 3.24Å; R199-E203 WeakPolarHBondContact O-CB 3.36Å; R199-E203 VanDerWaalsContact O-CG 3.31Å; R199-E203 WeakPolarHBondContact O-CG 3.33Å; R199-E203 PolarHBondContact O-N 2.99Å; R199-F206 HydrophobicContact CG-CZ 4.41Å; R199-F385 HydrophobicContact CG-CE1 4.4Å; R199-F385 VanDerWaalsContact NE-CZ 3.29Å; R199-F385 VanDerWaalsContact NH2-CE2 3.28Å
200	L	55.3	Low	69.1	Low	35 Å²	35	37 Å²	37	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-53.7	-33.7	172.6	-79.2	167.1	0	0	0	113.5	L196 F197 F206 P237 M302	L196-L200 HydrophobicContact CG-CD1 4.36Å; L196-L200 WeakPolarHBondContact O-CB 3.21Å; L196-L200 WeakPolarHBondContact O-CG 3.27Å; L196-L200 PolarHBondContact O-N 3.26Å; F197-L200 CarbonylContact O-C 3.38Å; F197-L200 WeakPolarHBondContact O-CB 3.48Å; F197-L200 PolarHBondContact O-N 2.87Å; L200-F206 HydrophobicContact CD2-CD2 3.46Å; L200-F206 VanDerWaalsContact CD2-CD2 3.46Å; L200-F206 HydrophobicContact CD2-CE2 3.53Å; L200-F206 HydrophobicContact CG-CD2 4.38Å; L200-F206 HydrophobicContact CG-CE2 3.95Å; L200-P237 HydrophobicContact CD1-CB 3.68Å; L200-P237 HydrophobicContact CD1-CG 3.89Å; L200-M302 HydrophobicContact CD1-CG 4.24Å; L200-M302 HydrophobicContact CD2-CB 4.28Å; L200-M302 HydrophobicContact CD2-CG 4.04Å
201	S	51.6	Low	69	Low	42 Å²	42	35.9 Å²	35.9	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-84.4	-38.3	-178	71.5	0	0	0	0	113.6	F197 T198 R199 V767	F197-S201 WeakPolarHBondContact O-CB 3.11Å; F197-S201 PolarHBondContact O-N 3.32Å; F197-S201 PolarHBondContact O-OG 2.88Å; T198-S201 WeakPolarHBondContact CA-OG 3.39Å; T198-S201 PolarHBondContact O-N 3.24Å; T198-S201 PolarHBondContact O-OG 2.83Å; R199-S201 PolarHBondContact O-N 3.08Å; R199-S201 VanDerWaalsContact O-N 3.15Å; S201-V767 WeakPolarHBondContact O-CG1 3.38Å; S201-V767 WeakPolarHBondContact O-CG2 3.46Å
202	K	50.8	Low	69.2	Low	121 Å²	121	36.2 Å²	36.2	53%	0.526	19%	0.185	S	C	.	.	H	α-helix	trans	-79.5	-37.7	-178.3	-75.7	-178.5	178.8	179.9	0	112.1	T198 R199	T198-K202 HydrophobicContact CG2-CD 3.99Å; T198-K202 HydrophobicContact CG2-CG 4.38Å; T198-K202 WeakPolarHBondContact O-CB 3.18Å; T198-K202 WeakPolarHBondContact O-CG 3.49Å; T198-K202 PolarHBondContact O-N 3.47Å; R199-K202 PolarHBondContact O-N 3.24Å
203	E	49.3	Very low	69.7	Low	29 Å²	29	35.6 Å²	35.6	14%	0.136	18%	0.183	C	C	.	.	S	Bend	trans	-77.7	159.1	-179.6	-63	-162.5	-49.6	0	0	111.1	R199 F206 R615	R199-E203 HydrophobicContact CG-CG 3.94Å; R199-E203 WeakPolarHBondContact CG-OE1 3.11Å; R199-E203 IonicContact CZ-OE2 2.75Å; R199-E203 VanDerWaalsContact CZ-OE2 3.23Å; R199-E203 IonicContact NE-OE1 2.93Å; R199-E203 IonicContact NE-OE2 3.53Å; R199-E203 PolarHBondContact NE-OE2 2.67Å; R199-E203 IonicContact NH2-OE2 3.58Å; R199-E203 PolarHBondContact NH2-OE2 3.17Å; R199-E203 VanDerWaalsContact O-CB 3.24Å; R199-E203 WeakPolarHBondContact O-CB 3.36Å; R199-E203 VanDerWaalsContact O-CG 3.31Å; R199-E203 WeakPolarHBondContact O-CG 3.33Å; R199-E203 PolarHBondContact O-N 2.99Å; E203-F206 WeakPolarHBondContact OE1-CE1 3.22Å; E203-F206 WeakPolarHBondContact OE1-CZ 3.39Å; E203-R615 VanDerWaalsContact CB-NH2 3.3Å; E203-R615 IonicContact OE1-CZ 2.85Å; E203-R615 IonicContact OE1-NH2 2.62Å; E203-R615 PolarHBondContact OE1-NH2 2.86Å; E203-R615 IonicContact OE2-NH2 2.75Å; E203-R615 PolarHBondContact OE2-NH2 3.21Å
204	V	45.3	Very low	70.6	Confident	95 Å²	95	35.7 Å²	35.7	58%	0.576	18%	0.182	S	C	*	.	S	Bend	trans	-71.1	-71.4	-174.7	170.9	0	0	0	0	108.5
205	M	51.6	Low	71.4	Confident	55 Å²	55	35.7 Å²	35.7	27%	0.271	18%	0.181	S	C	.	.			trans	-150.4	153	170	-63.5	89.5	-140.7	0	0	110.6	R615 T623 P624 C625	M205-R615 VanDerWaalsContact O-CZ 3.32Å; M205-R615 PolarHBondContact O-NH1 3.49Å; M205-T623 WeakPolarHBondContact CG-O 3.48Å; M205-P624 VanDerWaalsContact CE-CA 3.5Å; M205-P624 HydrophobicContact CE-CB 3.52Å; M205-P624 WeakPolarHBondContact SD-CA 3.38Å; M205-P624 HydrophobicContact SD-CB 3.86Å; M205-C625 HydrophobicContact CE-CB 4.14Å
206	F	66.1	Low	72.3	Confident	18 Å²	18	33.8 Å²	33.8	8%	0.079	17%	0.171	C	C	.	.			trans	-83.6	155.4	168	-78.2	-66.3	0	0	0	112.4	L196 R199 L200 E203 D210 V211 Y214 R615	L196-F206 HydrophobicContact CD1-CZ 4.49Å; R199-F206 HydrophobicContact CG-CZ 4.41Å; L200-F206 HydrophobicContact CD2-CD2 3.46Å; L200-F206 VanDerWaalsContact CD2-CD2 3.46Å; L200-F206 HydrophobicContact CD2-CE2 3.53Å; L200-F206 HydrophobicContact CG-CD2 4.38Å; L200-F206 HydrophobicContact CG-CE2 3.95Å; E203-F206 WeakPolarHBondContact OE1-CE1 3.22Å; E203-F206 WeakPolarHBondContact OE1-CZ 3.39Å; F206-D210 HydrophobicContact CB-CB 4.14Å; F206-D210 HydrophobicContact CD1-CB 3.58Å; F206-D210 WeakPolarHBondContact CD1-OD2 3.44Å; F206-D210 HydrophobicContact CE1-CB 4.43Å; F206-D210 HydrophobicContact CG-CB 4.23Å; F206-V211 HydrophobicContact CB-CG2 4.04Å; F206-Y214 HydrophobicContact CE1-CE2 4.04Å; F206-Y214 HydrophobicContact CZ-CE2 4.35Å; F206-R615 VanDerWaalsContact CD1-NH1 3.27Å
207	T	72.8	Confident	73.5	Confident	34 Å²	34	33.7 Å²	33.7	21%	0.209	17%	0.171	C	C	.	.			trans	-88.4	162.2	171.9	71.2	0	0	0	0	111.3	E209 D210 V211	T207-E209 PolarHBondContact O-N 3.15Å; T207-E209 PolarHBondContact OG1-N 3.3Å; T207-D210 PolarHBondContact N-OD2 3.07Å; T207-D210 PolarHBondContact O-N 3.06Å; T207-D210 PolarHBondContact OG1-N 3.42Å; T207-D210 VanDerWaalsContact OG1-N 3.09Å; T207-D210 PolarHBondContact OG1-OD1 3.42Å; T207-D210 VanDerWaalsContact OG1-OD1 3.13Å; T207-D210 PolarHBondContact OG1-OD2 3.36Å; T207-V211 WeakPolarHBondContact O-CG2 3.45Å; T207-V211 PolarHBondContact O-N 3.17Å
208	E	81.6	Confident	75	Confident	18 Å²	18	31.7 Å²	31.7	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-32.2	172.9	-75.4	-168.4	-176	0	0	112.5	K212 L303 S333 V336 F367 L621	E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 PolarHBondContact O-N 3.48Å; E208-L303 HydrophobicContact CB-CD2 4.44Å; E208-L303 HydrophobicContact CG-CD2 3.7Å; E208-S333 PolarHBondContact OE1-N 3.49Å; E208-S333 PolarHBondContact OE1-OG 2.96Å; E208-S333 WeakPolarHBondContact OE2-CB 3.4Å; E208-S333 PolarHBondContact OE2-OG 3.3Å; E208-V336 HydrophobicContact CG-CG2 3.94Å; E208-V336 WeakPolarHBondContact OE1-CG2 3.43Å; E208-V336 VanDerWaalsContact OE2-CG2 3.26Å; E208-V336 WeakPolarHBondContact OE2-CG2 3.46Å; E208-F367 HydrophobicContact CB-CE2 4.46Å; E208-L621 HydrophobicContact CB-CD1 4.34Å; E208-L621 HydrophobicContact CG-CB 4.43Å; E208-L621 HydrophobicContact CG-CD1 3.7Å; E208-L621 HydrophobicContact CG-CD2 4.23Å; E208-L621 HydrophobicContact CG-CG 4.33Å; E208-L621 VanDerWaalsContact OE1-CD1 3.29Å; E208-L621 WeakPolarHBondContact OE1-CD1 3.45Å
209	E	81.1	Confident	76.6	Confident	87 Å²	87	29.9 Å²	29.9	41%	0.407	15%	0.151	S	C	.	.	H	α-helix	trans	-68.8	-41.4	174.9	-66.7	-57.8	140.5	0	0	112	T207 K212 F213	T207-E209 PolarHBondContact O-N 3.15Å; T207-E209 PolarHBondContact OG1-N 3.3Å; E209-K212 WeakPolarHBondContact O-CB 3.36Å; E209-K212 PolarHBondContact O-N 2.94Å; E209-K212 IonicContact OE1-NZ 2.62Å; E209-K212 PolarHBondContact OE1-NZ 2.82Å; E209-K212 WeakPolarHBondContact OE2-CE 3.47Å; E209-K212 IonicContact OE2-NZ 3.81Å; E209-K212 PolarHBondContact OE2-NZ 3.45Å; E209-F213 PolarHBondContact O-N 2.86Å
210	D	84.7	Confident	78.2	Confident	24 Å²	24	28.8 Å²	28.8	13%	0.128	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-47.4	175.7	-54.7	-26.4	0	0	0	110.3	F206 T207 K212 F213 Y214 P384 R615	F206-D210 HydrophobicContact CB-CB 4.14Å; F206-D210 HydrophobicContact CD1-CB 3.58Å; F206-D210 WeakPolarHBondContact CD1-OD2 3.44Å; F206-D210 HydrophobicContact CE1-CB 4.43Å; F206-D210 HydrophobicContact CG-CB 4.23Å; T207-D210 PolarHBondContact N-OD2 3.07Å; T207-D210 PolarHBondContact O-N 3.06Å; T207-D210 PolarHBondContact OG1-N 3.42Å; T207-D210 VanDerWaalsContact OG1-N 3.09Å; T207-D210 PolarHBondContact OG1-OD1 3.42Å; T207-D210 VanDerWaalsContact OG1-OD1 3.13Å; T207-D210 PolarHBondContact OG1-OD2 3.36Å; D210-K212 VanDerWaalsContact C-N 3.32Å; D210-K212 PolarHBondContact O-N 3.49Å; D210-F213 PolarHBondContact O-N 2.91Å; D210-Y214 WeakPolarHBondContact O-CD2 3.41Å; D210-Y214 PolarHBondContact O-N 3.11Å; D210-P384 HydrophobicContact CB-CB 4.23Å; D210-P384 HydrophobicContact CB-CG 4.35Å; D210-P384 WeakPolarHBondContact OD1-CB 3.45Å; D210-R615 IonicContact OD2-NH1 3.84Å; D210-R615 PolarHBondContact OD2-NH1 3.46Å
211	V	88.2	Confident	80.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-42.2	177.9	175.1	0	0	0	0	110.7	F206 T207 F213 Y214 L215 M299 M302 L303	F206-V211 HydrophobicContact CB-CG2 4.04Å; T207-V211 WeakPolarHBondContact O-CG2 3.45Å; T207-V211 PolarHBondContact O-N 3.17Å; V211-F213 VanDerWaalsContact C-N 3.34Å; V211-F213 PolarHBondContact O-N 2.91Å; V211-Y214 PolarHBondContact O-N 2.95Å; V211-L215 HydrophobicContact CG1-CD1 3.49Å; V211-L215 VanDerWaalsContact CG1-CD1 3.49Å; V211-L215 HydrophobicContact CG1-CG 3.93Å; V211-L215 WeakPolarHBondContact O-CB 3.41Å; V211-L215 VanDerWaalsContact O-CG 3.23Å; V211-L215 WeakPolarHBondContact O-CG 3.25Å; V211-L215 PolarHBondContact O-N 3.03Å; V211-M299 HydrophobicContact CG1-CG 4.35Å; V211-M302 HydrophobicContact CG1-CB 4.31Å; V211-M302 HydrophobicContact CG2-CB 3.72Å; V211-M302 HydrophobicContact CG2-CE 4.25Å; V211-L303 HydrophobicContact CB-CD2 3.99Å; V211-L303 HydrophobicContact CB-CG 4.41Å; V211-L303 HydrophobicContact CG1-CD2 4.16Å; V211-L303 HydrophobicContact CG1-CG 4.08Å; V211-L303 HydrophobicContact CG2-CD2 3.72Å; V211-L303 HydrophobicContact CG2-CG 4.1Å
212	K	93.5	Very high	82.3	Confident	17 Å²	17	25.1 Å²	25.1	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-57.8	-46.1	176.9	-173.3	-167.5	-55.4	174.9	0	111.9	E208 E209 D210 A216 F367 F368 S370 I371	E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 PolarHBondContact O-N 3.48Å; E209-K212 WeakPolarHBondContact O-CB 3.36Å; E209-K212 PolarHBondContact O-N 2.94Å; E209-K212 IonicContact OE1-NZ 2.62Å; E209-K212 PolarHBondContact OE1-NZ 2.82Å; E209-K212 WeakPolarHBondContact OE2-CE 3.47Å; E209-K212 IonicContact OE2-NZ 3.81Å; E209-K212 PolarHBondContact OE2-NZ 3.45Å; D210-K212 VanDerWaalsContact C-N 3.32Å; D210-K212 PolarHBondContact O-N 3.49Å; K212-A216 WeakPolarHBondContact O-CB 3.23Å; K212-A216 PolarHBondContact O-N 2.97Å; K212-F367 HydrophobicContact CB-CE1 3.71Å; K212-F367 HydrophobicContact CB-CE2 4.19Å; K212-F367 HydrophobicContact CB-CZ 3.51Å; K212-F367 WeakPolarHBondContact CD-O 3.47Å; K212-F367 WeakPolarHBondContact CE-O 3.39Å; K212-F367 HydrophobicContact CG-CD1 4.17Å; K212-F367 HydrophobicContact CG-CE1 3.81Å; K212-F367 HydrophobicContact CG-CZ 4.01Å; K212-F368 HydrophobicContact CG-CD1 3.84Å; K212-F368 HydrophobicContact CG-CE1 4.25Å; K212-S370 WeakPolarHBondContact CD-OG 3.34Å; K212-S370 PolarHBondContact NZ-OG 3.17Å; K212-S370 VanDerWaalsContact NZ-OG 3.16Å; K212-I371 HydrophobicContact CD-CD1 4.12Å; K212-I371 HydrophobicContact CD-CG1 4.09Å; K212-I371 HydrophobicContact CG-CD1 4.14Å; K212-I371 HydrophobicContact CG-CG1 4.05Å
213	F	93.8	Very high	84.4	Confident	12 Å²	12	21.8 Å²	21.8	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-55.9	178.1	-178.4	-86.3	0	0	0	111.3	E209 D210 V211 L215 A216 E217 H247 L376 M381 P383 P384	E209-F213 PolarHBondContact O-N 2.86Å; D210-F213 PolarHBondContact O-N 2.91Å; V211-F213 VanDerWaalsContact C-N 3.34Å; V211-F213 PolarHBondContact O-N 2.91Å; F213-L215 PolarHBondContact O-N 3.34Å; F213-A216 WeakPolarHBondContact O-CB 3.34Å; F213-A216 PolarHBondContact O-N 3.26Å; F213-A216 VanDerWaalsContact O-N 3.13Å; F213-E217 VanDerWaalsContact CE1-CD 3.45Å; F213-E217 HydrophobicContact CE1-CG 4.18Å; F213-E217 WeakPolarHBondContact CE1-OE1 3.14Å; F213-E217 VanDerWaalsContact CZ-OE1 3.29Å; F213-E217 WeakPolarHBondContact CZ-OE1 3.4Å; F213-E217 PolarHBondContact O-N 3.4Å; F213-H247 AromaticContact CZ-ND1 3.86Å; F213-L376 HydrophobicContact CD2-CD1 4.18Å; F213-L376 HydrophobicContact CE2-CD1 3.66Å; F213-L376 HydrophobicContact CZ-CD1 3.91Å; F213-M381 HydrophobicContact CE2-CB 3.92Å; F213-P383 HydrophobicContact CE1-CB 4.05Å; F213-P383 HydrophobicContact CE1-CG 4.35Å; F213-P383 HydrophobicContact CZ-CB 4.1Å; F213-P383 HydrophobicContact CZ-CG 4.06Å; F213-P384 HydrophobicContact CB-CG 3.74Å; F213-P384 HydrophobicContact CD1-CG 3.92Å; F213-P384 HydrophobicContact CD2-CG 4.49Å; F213-P384 VanDerWaalsContact CG-CD 3.48Å; F213-P384 HydrophobicContact CG-CG 3.8Å
214	Y	93.6	Very high	86.5	Confident	5 Å²	5	22.4 Å²	22.4	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-36.7	-176.8	-67.3	-51.3	0	0	0	113.1	F206 D210 V211 A216 E217 L218 L242 G246 I248 M302 P384	F206-Y214 HydrophobicContact CE1-CE2 4.04Å; F206-Y214 HydrophobicContact CZ-CE2 4.35Å; D210-Y214 WeakPolarHBondContact O-CD2 3.41Å; D210-Y214 PolarHBondContact O-N 3.11Å; V211-Y214 PolarHBondContact O-N 2.95Å; Y214-A216 VanDerWaalsContact C-N 3.32Å; Y214-A216 PolarHBondContact O-N 2.9Å; Y214-E217 PolarHBondContact O-N 3.4Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.42Å; Y214-L218 PolarHBondContact O-N 3.37Å; Y214-L242 HydrophobicContact CE1-CD2 3.96Å; Y214-G246 WeakPolarHBondContact CE1-O 3.31Å; Y214-I248 HydrophobicContact CD1-CG2 3.49Å; Y214-I248 VanDerWaalsContact CD1-CG2 3.49Å; Y214-I248 HydrophobicContact CE1-CG2 4.01Å; Y214-I248 HydrophobicContact CG-CG2 4.25Å; Y214-M302 HydrophobicContact CD2-CE 3.98Å; Y214-M302 HydrophobicContact CG-CE 4.44Å; Y214-P384 HydrophobicContact CE2-CG 4.39Å
215	L	96.2	Very high	88.7	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-31.4	174.6	-73.7	-177.1	0	0	0	112.6	V211 F213 L218 A219 F295 L298 M299 F367 F368	V211-L215 HydrophobicContact CG1-CD1 3.49Å; V211-L215 VanDerWaalsContact CG1-CD1 3.49Å; V211-L215 HydrophobicContact CG1-CG 3.93Å; V211-L215 WeakPolarHBondContact O-CB 3.41Å; V211-L215 VanDerWaalsContact O-CG 3.23Å; V211-L215 WeakPolarHBondContact O-CG 3.25Å; V211-L215 PolarHBondContact O-N 3.03Å; F213-L215 PolarHBondContact O-N 3.34Å; L215-L218 HydrophobicContact CD2-CD2 4.08Å; L215-L218 PolarHBondContact O-N 3.04Å; L215-A219 WeakPolarHBondContact O-CB 3.49Å; L215-A219 PolarHBondContact O-N 2.78Å; L215-F295 HydrophobicContact CB-CE1 4.29Å; L215-F295 HydrophobicContact CB-CE2 4.18Å; L215-F295 HydrophobicContact CB-CZ 3.63Å; L215-F295 HydrophobicContact CD1-CE1 4.16Å; L215-F295 HydrophobicContact CD1-CZ 4.31Å; L215-F295 HydrophobicContact CD2-CD1 4.41Å; L215-F295 HydrophobicContact CD2-CD2 4.22Å; L215-F295 HydrophobicContact CD2-CE1 4.06Å; L215-F295 HydrophobicContact CD2-CE2 3.86Å; L215-F295 HydrophobicContact CD2-CG 4.5Å; L215-F295 HydrophobicContact CD2-CZ 3.79Å; L215-F295 HydrophobicContact CG-CE1 4.41Å; L215-F295 HydrophobicContact CG-CZ 4.11Å; L215-F295 VanDerWaalsContact O-CE2 3.29Å; L215-F295 WeakPolarHBondContact O-CE2 3.28Å; L215-F295 WeakPolarHBondContact O-CZ 3.03Å; L215-L298 HydrophobicContact CD2-CD2 4.32Å; L215-M299 HydrophobicContact CD1-CB 3.53Å; L215-M299 HydrophobicContact CD1-CG 3.48Å; L215-M299 VanDerWaalsContact CD1-CG 3.48Å; L215-M299 HydrophobicContact CD1-SD 3.95Å; L215-M299 HydrophobicContact CD2-CB 4.41Å; L215-F367 HydrophobicContact CD1-CE1 4.44Å; L215-F368 HydrophobicContact CB-CE1 4.04Å; L215-F368 HydrophobicContact CB-CZ 4.11Å
216	A	97.7	Very high	90.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-43.5	175.3	0	0	0	0	0	111.6	K212 F213 Y214 L218 A219 L220 F368 I371 W373 L376	K212-A216 WeakPolarHBondContact O-CB 3.23Å; K212-A216 PolarHBondContact O-N 2.97Å; F213-A216 WeakPolarHBondContact O-CB 3.34Å; F213-A216 PolarHBondContact O-N 3.26Å; F213-A216 VanDerWaalsContact O-N 3.13Å; Y214-A216 VanDerWaalsContact C-N 3.32Å; Y214-A216 PolarHBondContact O-N 2.9Å; A216-L218 VanDerWaalsContact C-N 3.27Å; A216-L218 PolarHBondContact O-N 3.35Å; A216-A219 PolarHBondContact O-N 2.99Å; A216-L220 PolarHBondContact O-N 3.43Å; A216-L220 VanDerWaalsContact O-N 3.14Å; A216-F368 HydrophobicContact CB-CD1 4.07Å; A216-F368 HydrophobicContact CB-CE1 4.12Å; A216-I371 HydrophobicContact CB-CD1 4.4Å; A216-I371 HydrophobicContact CB-CG1 4.14Å; A216-I371 HydrophobicContact CB-CG2 3.98Å; A216-W373 HydrophobicContact CB-CH2 3.81Å; A216-W373 HydrophobicContact CB-CZ3 3.83Å; A216-W373 WeakPolarHBondContact O-CZ3 3.5Å; A216-L376 HydrophobicContact CB-CD2 3.4Å
217	E	97.6	Very high	91.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-41.3	173.8	-63.6	-168.4	148.5	0	0	111.5	F170 F213 Y214 L220 A221 H247 I248 L376	F170-E217 HydrophobicContact CD1-CB 4.1Å; F170-E217 HydrophobicContact CD1-CG 4.27Å; F170-E217 HydrophobicContact CD2-CB 3.98Å; F170-E217 HydrophobicContact CD2-CG 4.44Å; F170-E217 HydrophobicContact CE1-CB 4.16Å; F170-E217 VanDerWaalsContact CE1-CD 3.46Å; F170-E217 HydrophobicContact CE1-CG 3.83Å; F170-E217 VanDerWaalsContact CE1-OE1 3.23Å; F170-E217 WeakPolarHBondContact CE1-OE1 3.14Å; F170-E217 HydrophobicContact CE2-CB 4.08Å; F170-E217 HydrophobicContact CE2-CG 4.06Å; F170-E217 HydrophobicContact CG-CB 4.02Å; F170-E217 HydrophobicContact CZ-CB 4.14Å; F170-E217 HydrophobicContact CZ-CG 3.71Å; F213-E217 VanDerWaalsContact CE1-CD 3.45Å; F213-E217 HydrophobicContact CE1-CG 4.18Å; F213-E217 WeakPolarHBondContact CE1-OE1 3.14Å; F213-E217 VanDerWaalsContact CZ-OE1 3.29Å; F213-E217 WeakPolarHBondContact CZ-OE1 3.4Å; F213-E217 PolarHBondContact O-N 3.4Å; Y214-E217 PolarHBondContact O-N 3.4Å; E217-L220 PolarHBondContact O-N 3Å; E217-A221 PolarHBondContact O-N 2.96Å; E217-H247 IonicContact OE1-CE1 3.69Å; E217-H247 IonicContact OE1-CG 2.86Å; E217-H247 IonicContact OE1-ND1 2.73Å; E217-H247 PolarHBondContact OE1-ND1 2.86Å; E217-I248 HydrophobicContact CB-CD1 3.94Å; E217-I248 HydrophobicContact CB-CG1 3.53Å; E217-I248 HydrophobicContact CG-CG1 4.4Å; E217-I248 WeakPolarHBondContact OE2-CG1 3.43Å; E217-I248 PolarHBondContact OE2-N 3.44Å; E217-L376 HydrophobicContact CG-CD1 3.78Å; E217-L376 HydrophobicContact CG-CD2 4.07Å; E217-L376 HydrophobicContact CG-CG 4.03Å
218	L	96.8	Very high	92.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-66.6	-38.8	179.5	-173.4	68.7	0	0	0	111.9	Y214 L215 A216 L220 A221 L222 L235 I240 I248 I250 F295 L298	Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.42Å; Y214-L218 PolarHBondContact O-N 3.37Å; L215-L218 HydrophobicContact CD2-CD2 4.08Å; L215-L218 PolarHBondContact O-N 3.04Å; A216-L218 VanDerWaalsContact C-N 3.27Å; A216-L218 PolarHBondContact O-N 3.35Å; L218-L220 VanDerWaalsContact C-N 3.33Å; L218-L220 PolarHBondContact O-N 3.24Å; L218-A221 PolarHBondContact O-N 3.29Å; L218-L222 HydrophobicContact CG-CD1 4.41Å; L218-L222 WeakPolarHBondContact O-CG 3.47Å; L218-L222 PolarHBondContact O-N 3.11Å; L218-L235 HydrophobicContact CD1-CD1 3.7Å; L218-L235 HydrophobicContact CD2-CD1 3.97Å; L218-L235 HydrophobicContact CD2-CD2 4.01Å; L218-L235 HydrophobicContact CD2-CG 4.47Å; L218-L235 HydrophobicContact CG-CD1 4.3Å; L218-I240 HydrophobicContact CD1-CD1 4.18Å; L218-I240 HydrophobicContact CD2-CD1 4.3Å; L218-I248 HydrophobicContact CB-CD1 3.79Å; L218-I248 HydrophobicContact CD1-CD1 3.99Å; L218-I250 HydrophobicContact CD1-CD1 3.51Å; L218-I250 HydrophobicContact CD1-CG1 3.7Å; L218-F295 HydrophobicContact CB-CE2 4.16Å; L218-F295 HydrophobicContact CD2-CD2 3.69Å; L218-F295 HydrophobicContact CD2-CE2 3.94Å; L218-F295 HydrophobicContact CG-CD2 4.12Å; L218-F295 HydrophobicContact CG-CE2 4.16Å; L218-L298 HydrophobicContact CD2-CD2 3.41Å; L218-L298 VanDerWaalsContact CD2-CD2 3.41Å
219	A	97.4	Very high	92.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-40	175.4	0	0	0	0	0	111.6	L215 A216 L222 D223 W292 F295 V359 W373	L215-A219 WeakPolarHBondContact O-CB 3.49Å; L215-A219 PolarHBondContact O-N 2.78Å; A216-A219 PolarHBondContact O-N 2.99Å; A219-L222 PolarHBondContact O-N 2.84Å; A219-D223 WeakPolarHBondContact O-CB 3.48Å; A219-D223 PolarHBondContact O-N 2.92Å; A219-W292 HydrophobicContact CB-CH2 4.48Å; A219-W292 HydrophobicContact CB-CZ3 4.42Å; A219-F295 HydrophobicContact CB-CE2 4.09Å; A219-F295 HydrophobicContact CB-CZ 4.28Å; A219-V359 HydrophobicContact CB-CG2 4.2Å; A219-W373 HydrophobicContact CB-CH2 4.33Å; A219-W373 HydrophobicContact CB-CZ3 4.19Å
220	L	97.7	Very high	92.9	Very high	11 Å²	11	17.1 Å²	17.1	6%	0.058	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-42.4	174.1	-71.5	172.2	0	0	0	112.1	H168 F170 A216 E217 L218 D223 H224 W373 L376	H168-L220 PolarHBondContact NE2-O 3.35Å; F170-L220 HydrophobicContact CD2-CB 4.15Å; F170-L220 HydrophobicContact CD2-CD1 4.36Å; F170-L220 HydrophobicContact CE2-CB 4.43Å; F170-L220 HydrophobicContact CE2-CD1 3.8Å; A216-L220 PolarHBondContact O-N 3.43Å; A216-L220 VanDerWaalsContact O-N 3.14Å; E217-L220 PolarHBondContact O-N 3Å; L218-L220 VanDerWaalsContact C-N 3.33Å; L218-L220 PolarHBondContact O-N 3.24Å; L220-D223 PolarHBondContact O-N 3.12Å; L220-H224 PolarHBondContact O-N 2.95Å; L220-H224 VanDerWaalsContact O-N 3.12Å; L220-W373 HydrophobicContact CD1-CE3 4.2Å; L220-W373 HydrophobicContact CD2-CE3 3.93Å; L220-W373 HydrophobicContact CD2-CZ3 4.48Å; L220-W373 HydrophobicContact CG-CE3 3.88Å; L220-W373 HydrophobicContact CG-CZ3 4.13Å; L220-L376 HydrophobicContact CD1-CB 4.4Å; L220-L376 HydrophobicContact CD1-CD2 3.99Å; L220-L376 HydrophobicContact CD1-CG 4.22Å
221	A	96.4	Very high	93.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-44.8	176.3	0	0	0	0	0	112.4	F170 I171 E217 L218 H224 L225 I250	F170-A221 HydrophobicContact CB-CB 4.04Å; I171-A221 HydrophobicContact CD1-CB 4.26Å; I171-A221 HydrophobicContact CG1-CB 3.89Å; E217-A221 PolarHBondContact O-N 2.96Å; L218-A221 PolarHBondContact O-N 3.29Å; A221-H224 PolarHBondContact O-N 3.17Å; A221-L225 WeakPolarHBondContact O-CG 3.44Å; A221-L225 PolarHBondContact O-N 3.35Å; A221-I250 HydrophobicContact CB-CD1 3.49Å; A221-I250 VanDerWaalsContact CB-CD1 3.49Å; A221-I250 HydrophobicContact CB-CG1 4.09Å
222	L	95.4	Very high	93.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.6	-40.8	177.4	-71.2	175.5	0	0	0	112.2	L218 A219 H224 L225 H226 L235 I250 D291 W292 F295	L218-L222 HydrophobicContact CG-CD1 4.41Å; L218-L222 WeakPolarHBondContact O-CG 3.47Å; L218-L222 PolarHBondContact O-N 3.11Å; A219-L222 PolarHBondContact O-N 2.84Å; L222-H224 VanDerWaalsContact C-N 3.33Å; L222-H224 PolarHBondContact O-N 2.96Å; L222-L225 PolarHBondContact O-N 3.47Å; L222-H226 WeakPolarHBondContact O-CB 3.48Å; L222-H226 PolarHBondContact O-CD2 2.73Å; L222-H226 PolarHBondContact O-N 2.88Å; L222-L235 HydrophobicContact CD1-CD2 4.25Å; L222-I250 HydrophobicContact CD2-CD1 4.48Å; L222-D291 HydrophobicContact CD2-CB 4.2Å; L222-W292 HydrophobicContact CB-CH2 3.89Å; L222-W292 HydrophobicContact CB-CZ2 4.5Å; L222-W292 HydrophobicContact CB-CZ3 4.25Å; L222-W292 HydrophobicContact CD1-CE3 4.11Å; L222-W292 HydrophobicContact CD1-CH2 4.21Å; L222-W292 HydrophobicContact CD1-CZ3 3.71Å; L222-F295 HydrophobicContact CD1-CD2 3.94Å
223	D	95	Very high	93	Very high	51 Å²	51	16.5 Å²	16.5	27%	0.273	10%	0.097	S	C	.	.	H	α-helix	trans	-55.6	-47.7	174.7	-176.2	32.3	0	0	0	111.6	A219 L220 L225 H226 S227 V359 K363	A219-D223 WeakPolarHBondContact O-CB 3.48Å; A219-D223 PolarHBondContact O-N 2.92Å; L220-D223 PolarHBondContact O-N 3.12Å; D223-L225 PolarHBondContact O-N 3.1Å; D223-H226 PolarHBondContact O-N 3.19Å; D223-S227 WeakPolarHBondContact O-CB 3.49Å; D223-S227 PolarHBondContact O-N 3.46Å; D223-V359 HydrophobicContact CB-CB 3.99Å; D223-V359 HydrophobicContact CB-CG1 3.71Å; D223-V359 HydrophobicContact CB-CG2 4.13Å; D223-V359 VanDerWaalsContact OD1-CG1 3.23Å; D223-V359 WeakPolarHBondContact OD1-CG1 3.27Å; D223-V359 VanDerWaalsContact OD2-CG1 3.32Å; D223-V359 WeakPolarHBondContact OD2-CG1 3.33Å; D223-K363 IonicContact OD2-NZ 2.78Å; D223-K363 PolarHBondContact OD2-NZ 2.89Å
224	H	93.4	Very high	92.7	Very high	42 Å²	42	16.3 Å²	16.3	19%	0.194	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-46.6	177	-177.3	68.1	0	0	0	112.1	H168 L220 A221 L222 S227 L228	H168-H224 HydrophobicContact CB-CB 4.5Å; H168-H224 AromaticContact CD2-CG 3.73Å; L220-H224 PolarHBondContact O-N 2.95Å; L220-H224 VanDerWaalsContact O-N 3.12Å; A221-H224 PolarHBondContact O-N 3.17Å; L222-H224 VanDerWaalsContact C-N 3.33Å; L222-H224 PolarHBondContact O-N 2.96Å; H224-S227 PolarHBondContact O-N 2.97Å; H224-S227 PolarHBondContact O-OG 2.93Å; H224-L228 PolarHBondContact O-N 3.38Å
225	L	91.5	Very high	92.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177	-67.3	173.7	0	0	0	112.1	V166 I171 A221 L222 D223 S227 L228 G229 I230 Y232 F253	V166-L225 HydrophobicContact CG1-CD2 4.35Å; V166-L225 HydrophobicContact CG2-CD2 3.7Å; I171-L225 HydrophobicContact CD1-CD1 4.24Å; I171-L225 HydrophobicContact CD1-CD2 3.9Å; I171-L225 HydrophobicContact CD1-CG 3.8Å; A221-L225 WeakPolarHBondContact O-CG 3.44Å; A221-L225 PolarHBondContact O-N 3.35Å; L222-L225 PolarHBondContact O-N 3.47Å; D223-L225 PolarHBondContact O-N 3.1Å; L225-S227 VanDerWaalsContact C-N 3.3Å; L225-S227 PolarHBondContact O-N 3.33Å; L225-L228 CarbonylContact O-C 3.56Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-L228 VanDerWaalsContact O-N 3.12Å; L225-G229 PolarHBondContact O-N 2.85Å; L225-I230 CarbonylContact C-O 3.58Å; L225-I230 HydrophobicContact CB-CB 4.32Å; L225-I230 HydrophobicContact CD2-CB 4.46Å; L225-I230 HydrophobicContact CD2-CD1 4.38Å; L225-I230 HydrophobicContact CD2-CG2 4.28Å; L225-I230 WeakPolarHBondContact O-CB 3.21Å; L225-I230 PolarHBondContact O-N 3.46Å; L225-Y232 HydrophobicContact CD1-CD2 4.25Å; L225-Y232 HydrophobicContact CD1-CG 4.47Å; L225-F253 HydrophobicContact CD1-CE1 3.81Å; L225-F253 HydrophobicContact CD1-CZ 4.39Å; L225-F253 HydrophobicContact CD2-CE1 3.76Å; L225-F253 HydrophobicContact CD2-CZ 4.48Å; L225-F253 HydrophobicContact CG-CE1 4.44Å
226	H	91.3	Very high	92	Very high	15 Å²	15	17.5 Å²	17.5	7%	0.069	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-35.3	-180	-67.7	-178.1	0	0	0	111.5	L222 D223 L228 G229 I230 Q288 D291 W292	L222-H226 WeakPolarHBondContact O-CB 3.48Å; L222-H226 PolarHBondContact O-CD2 2.73Å; L222-H226 PolarHBondContact O-N 2.88Å; D223-H226 PolarHBondContact O-N 3.19Å; H226-L228 PolarHBondContact O-N 2.83Å; H226-G229 WeakPolarHBondContact O-CA 3.36Å; H226-G229 PolarHBondContact O-N 2.93Å; H226-I230 PolarHBondContact CD2-O 2.95Å; H226-Q288 PolarHBondContact CE1-O 3.22Å; H226-D291 IonicContact CD2-OD2 3.5Å; H226-D291 IonicContact CE1-OD2 3.71Å; H226-D291 IonicContact NE2-OD2 2.73Å; H226-D291 PolarHBondContact NE2-OD2 3.48Å; H226-W292 AromaticContact CE1-CE2 3.97Å; H226-W292 AromaticContact CE1-NE1 3.97Å; H226-W292 AromaticContact ND1-CZ2 3.94Å; H226-W292 AromaticContact ND1-NE1 3.98Å
227	S	89.7	Confident	91.2	Very high	86 Å²	86	17.5 Å²	17.5	60%	0.601	10%	0.101	S	C	*	.	H	α-helix	trans	-62.5	-29.9	174.2	82.3	0	0	0	0	113	D223 H224 L225 G229	D223-S227 WeakPolarHBondContact O-CB 3.49Å; D223-S227 PolarHBondContact O-N 3.46Å; H224-S227 PolarHBondContact O-N 2.97Å; H224-S227 PolarHBondContact O-OG 2.93Å; L225-S227 VanDerWaalsContact C-N 3.3Å; L225-S227 PolarHBondContact O-N 3.33Å; S227-G229 VanDerWaalsContact C-N 3.3Å
228	L	87.7	Confident	90.4	Very high	66 Å²	66	20.9 Å²	20.9	35%	0.346	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.2	173.3	-62.1	175.2	0	0	0	112.8	V166 H224 L225 H226 I230	V166-L228 HydrophobicContact CG2-CD1 3.93Å; H224-L228 PolarHBondContact O-N 3.38Å; L225-L228 CarbonylContact O-C 3.56Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-L228 VanDerWaalsContact O-N 3.12Å; H226-L228 PolarHBondContact O-N 2.83Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 HydrophobicContact CB-CD1 3.83Å; L228-I230 HydrophobicContact CB-CG1 4.14Å; L228-I230 HydrophobicContact CD1-CD1 4.2Å
229	G	86.1	Confident	90.1	Very high	29 Å²	29	21.3 Å²	21.3	30%	0.299	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	22.6	-176.7	0	0	0	0	0	113.8	L225 H226 S227 A259	L225-G229 PolarHBondContact O-N 2.85Å; H226-G229 WeakPolarHBondContact O-CA 3.36Å; H226-G229 PolarHBondContact O-N 2.93Å; S227-G229 VanDerWaalsContact C-N 3.3Å; G229-A259 WeakPolarHBondContact O-CB 3.47Å; G229-A259 PolarHBondContact O-N 3.05Å
230	I	87.6	Confident	89.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.4	-179.5	-60.7	164.7	0	0	0	109	I162 V166 L225 H226 L228 E258	I162-I230 HydrophobicContact CD1-CG2 4.14Å; I162-I230 HydrophobicContact CG1-CD1 4.25Å; I162-I230 HydrophobicContact CG2-CD1 4.01Å; I162-I230 HydrophobicContact CG2-CG2 4.43Å; V166-I230 HydrophobicContact CG2-CD1 4.11Å; L225-I230 CarbonylContact C-O 3.58Å; L225-I230 HydrophobicContact CB-CB 4.32Å; L225-I230 HydrophobicContact CD2-CB 4.46Å; L225-I230 HydrophobicContact CD2-CD1 4.38Å; L225-I230 HydrophobicContact CD2-CG2 4.28Å; L225-I230 WeakPolarHBondContact O-CB 3.21Å; L225-I230 PolarHBondContact O-N 3.46Å; H226-I230 PolarHBondContact CD2-O 2.95Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 HydrophobicContact CB-CD1 3.83Å; L228-I230 HydrophobicContact CB-CG1 4.14Å; L228-I230 HydrophobicContact CD1-CD1 4.2Å; I230-E258 HydrophobicContact CG1-CG 4.35Å
231	I	89.4	Confident	89.4	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.3	172.1	-46.8	172.4	0	0	0	107.9	R233 S256 K257 A259 A266	I231-R233 HydrophobicContact CB-CG 3.97Å; I231-R233 HydrophobicContact CG2-CG 3.4Å; I231-S256 CarbonylContact O-C 3.6Å; I231-S256 VanDerWaalsContact O-CA 3.28Å; I231-S256 WeakPolarHBondContact O-CA 3.22Å; I231-K257 PolarHBondContact N-O 2.86Å; I231-K257 PolarHBondContact O-N 2.92Å; I231-A259 HydrophobicContact CD1-CB 4.28Å; I231-A259 HydrophobicContact CG1-CB 4.48Å; I231-A266 HydrophobicContact CD1-CB 4.24Å
232	Y	90.8	Very high	89	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.			trans	-76.4	-49.3	-172.1	-179.3	-112.9	0	0	0	112.7	L225 D234 L235 N239 I250 T251 F253 S256 D291	L225-Y232 HydrophobicContact CD1-CD2 4.25Å; L225-Y232 HydrophobicContact CD1-CG 4.47Å; Y232-D234 VanDerWaalsContact C-N 3.26Å; Y232-D234 WeakPolarHBondContact CE1-O 3.33Å; Y232-D234 PolarHBondContact O-N 2.96Å; Y232-L235 HydrophobicContact CD1-CB 4.01Å; Y232-L235 HydrophobicContact CD1-CD1 4.39Å; Y232-L235 HydrophobicContact CE1-CB 4.12Å; Y232-L235 HydrophobicContact CE1-CD1 4.19Å; Y232-N239 VanDerWaalsContact OH-CB 3.27Å; Y232-N239 WeakPolarHBondContact OH-CB 3.39Å; Y232-N239 PolarHBondContact OH-ND2 3.35Å; Y232-I250 HydrophobicContact CD2-CG2 4.1Å; Y232-I250 HydrophobicContact CE1-CG2 3.91Å; Y232-I250 HydrophobicContact CE2-CG2 3.39Å; Y232-I250 WeakPolarHBondContact OH-CG2 3.4Å; Y232-T251 PolarHBondContact OH-O 3.46Å; Y232-F253 HydrophobicContact CD2-CD1 4.01Å; Y232-F253 AromaticContact CD2-CE1 3.83Å; Y232-F253 HydrophobicContact CD2-CE1 3.83Å; Y232-F253 HydrophobicContact CD2-CZ 4.42Å; Y232-F253 HydrophobicContact CE2-CD1 4.12Å; Y232-F253 HydrophobicContact CE2-CE1 4.01Å; Y232-F253 HydrophobicContact CE2-CG 4.45Å; Y232-F253 HydrophobicContact CE2-CZ 4.23Å; Y232-S256 WeakPolarHBondContact CD2-OG 3.47Å; Y232-S256 WeakPolarHBondContact O-CA 3.31Å; Y232-S256 PolarHBondContact O-OG 3.33Å; Y232-D291 PolarHBondContact N-OD2 2.78Å
233	R	87.9	Confident	88.7	Confident	25 Å²	25	23 Å²	23	9%	0.094	13%	0.129	C	C	.	.			trans	67.3	-1.7	169.2	-51	-173.8	-63.5	169.8	3.7	118.4	I231 L255 S256 K257 H286 D291	I231-R233 HydrophobicContact CB-CG 3.97Å; I231-R233 HydrophobicContact CG2-CG 3.4Å; R233-L255 PolarHBondContact NE-O 3.4Å; R233-L255 PolarHBondContact NH2-O 3.45Å; R233-S256 PolarHBondContact NH2-O 3.03Å; R233-K257 VanDerWaalsContact CZ-CB 3.41Å; R233-K257 VanDerWaalsContact NH2-CB 3.29Å; R233-H286 WeakPolarHBondContact CD-NE2 3.44Å; R233-D291 WeakPolarHBondContact CA-OD1 3.48Å; R233-D291 PolarHBondContact N-OD1 3.23Å
234	D	86.9	Confident	88.2	Confident	8 Å²	8	24.4 Å²	24.4	4%	0.043	13%	0.133	C	C	.	.			trans	-133.6	43.6	177.1	-158.8	40.8	0	0	0	112	Y232 K236 N239 L255	Y232-D234 VanDerWaalsContact C-N 3.26Å; Y232-D234 WeakPolarHBondContact CE1-O 3.33Å; Y232-D234 PolarHBondContact O-N 2.96Å; D234-K236 PolarHBondContact O-N 3.15Å; D234-K236 IonicContact OD1-NZ 3.54Å; D234-K236 IonicContact OD2-NZ 2.64Å; D234-K236 PolarHBondContact OD2-NZ 3.39Å; D234-N239 PolarHBondContact O-ND2 3.32Å; D234-N239 PolarHBondContact OD2-ND2 3.46Å; D234-L255 HydrophobicContact CB-CB 4.13Å; D234-L255 HydrophobicContact CB-CD1 4Å
235	L	90.1	Very high	87.8	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.141	C	C	.	.			trans	-73.6	112.9	177.4	-170.5	66.2	0	0	0	110.8	L218 L222 Y232 I240 Y275 F295 L298	L218-L235 HydrophobicContact CD1-CD1 3.7Å; L218-L235 HydrophobicContact CD2-CD1 3.97Å; L218-L235 HydrophobicContact CD2-CD2 4.01Å; L218-L235 HydrophobicContact CD2-CG 4.47Å; L218-L235 HydrophobicContact CG-CD1 4.3Å; L222-L235 HydrophobicContact CD1-CD2 4.25Å; Y232-L235 HydrophobicContact CD1-CB 4.01Å; Y232-L235 HydrophobicContact CD1-CD1 4.39Å; Y232-L235 HydrophobicContact CE1-CB 4.12Å; Y232-L235 HydrophobicContact CE1-CD1 4.19Å; L235-I240 HydrophobicContact CD1-CD1 4.04Å; L235-I240 HydrophobicContact CD1-CG1 4.45Å; L235-Y275 VanDerWaalsContact O-CD1 3.28Å; L235-Y275 WeakPolarHBondContact O-CD1 3.49Å; L235-F295 HydrophobicContact CD2-CB 4.01Å; L235-L298 HydrophobicContact CD1-CD2 4.48Å; L235-L298 HydrophobicContact CG-CD2 4.37Å
236	K	84.9	Confident	87.6	Confident	30 Å²	30	26.1 Å²	26.1	13%	0.13	14%	0.141	C	C	.	.	S	Bend	trans	-157.7	157.7	179	64.9	-174.4	-169.3	-131.1	0	109.6	D234 E238 N239 Y275	D234-K236 PolarHBondContact O-N 3.15Å; D234-K236 IonicContact OD1-NZ 3.54Å; D234-K236 IonicContact OD2-NZ 2.64Å; D234-K236 PolarHBondContact OD2-NZ 3.39Å; K236-E238 VanDerWaalsContact CB-OE2 3.3Å; K236-E238 WeakPolarHBondContact CB-OE2 3.3Å; K236-E238 VanDerWaalsContact CD-OE2 3.31Å; K236-E238 WeakPolarHBondContact CD-OE2 3.32Å; K236-E238 HydrophobicContact CG-CB 4.41Å; K236-E238 WeakPolarHBondContact CG-OE2 3.45Å; K236-E238 PolarHBondContact O-N 2.82Å; K236-E238 VanDerWaalsContact O-N 3.16Å; K236-N239 WeakPolarHBondContact CE-ND2 3.45Å; K236-N239 VanDerWaalsContact CE-OD1 3.3Å; K236-N239 WeakPolarHBondContact CE-OD1 3.47Å; K236-N239 HydrophobicContact CG-CB 4.25Å; K236-N239 PolarHBondContact O-N 2.87Å; K236-N239 VanDerWaalsContact O-N 3.1Å; K236-Y275 HydrophobicContact CB-CD1 4.42Å; K236-Y275 HydrophobicContact CB-CD2 4.23Å; K236-Y275 HydrophobicContact CB-CE1 4.23Å; K236-Y275 HydrophobicContact CB-CE2 4Å; K236-Y275 HydrophobicContact CB-CG 4.44Å
237	P	81.5	Confident	87.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.9	-175.3	-18.7	27	0	0	0	114.5	F197 L200 N239 I240 Y275 L298 E301	F197-P237 HydrophobicContact CB-CB 3.85Å; F197-P237 HydrophobicContact CD2-CB 4.16Å; F197-P237 PolarHBondContact N-O 3.28Å; L200-P237 HydrophobicContact CD1-CB 3.68Å; L200-P237 HydrophobicContact CD1-CG 3.89Å; P237-N239 PolarHBondContact O-N 3.37Å; P237-I240 PolarHBondContact O-N 3.35Å; P237-Y275 WeakPolarHBondContact CD-OH 3.46Å; P237-L298 HydrophobicContact CB-CD1 4.23Å; P237-L298 HydrophobicContact CG-CD1 3.58Å; P237-E301 VanDerWaalsContact CG-OE2 3.29Å; P237-E301 WeakPolarHBondContact CG-OE2 3.16Å
238	E	81.6	Confident	87.8	Confident	72 Å²	72	21.7 Å²	21.7	34%	0.336	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-68.9	-21.9	179.8	-55.1	92.5	148.6	0	0	113.3	F197 K236	F197-E238 HydrophobicContact CB-CG 4.07Å; F197-E238 HydrophobicContact CD2-CG 4.11Å; F197-E238 HydrophobicContact CG-CG 4.05Å; K236-E238 VanDerWaalsContact CB-OE2 3.3Å; K236-E238 WeakPolarHBondContact CB-OE2 3.3Å; K236-E238 VanDerWaalsContact CD-OE2 3.31Å; K236-E238 WeakPolarHBondContact CD-OE2 3.32Å; K236-E238 HydrophobicContact CG-CB 4.41Å; K236-E238 WeakPolarHBondContact CG-OE2 3.45Å; K236-E238 PolarHBondContact O-N 2.82Å; K236-E238 VanDerWaalsContact O-N 3.16Å
239	N	88.8	Confident	88.2	Confident	10 Å²	10	19.8 Å²	19.8	5%	0.053	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-97.8	8.3	179.2	-68.7	-8.1	0	0	0	112.9	Y232 D234 K236 P237 T251	Y232-N239 VanDerWaalsContact OH-CB 3.27Å; Y232-N239 WeakPolarHBondContact OH-CB 3.39Å; Y232-N239 PolarHBondContact OH-ND2 3.35Å; D234-N239 PolarHBondContact O-ND2 3.32Å; D234-N239 PolarHBondContact OD2-ND2 3.46Å; K236-N239 WeakPolarHBondContact CE-ND2 3.45Å; K236-N239 VanDerWaalsContact CE-OD1 3.3Å; K236-N239 WeakPolarHBondContact CE-OD1 3.47Å; K236-N239 HydrophobicContact CG-CB 4.25Å; K236-N239 PolarHBondContact O-N 2.87Å; K236-N239 VanDerWaalsContact O-N 3.1Å; P237-N239 PolarHBondContact O-N 3.37Å; N239-T251 WeakPolarHBondContact O-CG2 3.11Å; N239-T251 PolarHBondContact O-N 3.06Å
240	I	90.9	Very high	88.6	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.1	177.2	-57.9	171.3	0	0	0	106.7	L196 L218 L235 P237 I248 L298	L196-I240 HydrophobicContact CB-CB 4.1Å; L196-I240 HydrophobicContact CB-CG2 4.15Å; L196-I240 WeakPolarHBondContact CB-O 3.07Å; L196-I240 HydrophobicContact CD2-CB 4.19Å; L196-I240 HydrophobicContact CD2-CD1 4.23Å; L196-I240 HydrophobicContact CD2-CG2 3.92Å; L196-I240 PolarHBondContact N-O 3.32Å; L218-I240 HydrophobicContact CD1-CD1 4.18Å; L218-I240 HydrophobicContact CD2-CD1 4.3Å; L235-I240 HydrophobicContact CD1-CD1 4.04Å; L235-I240 HydrophobicContact CD1-CG1 4.45Å; P237-I240 PolarHBondContact O-N 3.35Å; I240-I248 HydrophobicContact CG2-CB 3.66Å; I240-I248 HydrophobicContact CG2-CD1 4.04Å; I240-I248 HydrophobicContact CG2-CG1 4.48Å; I240-I248 HydrophobicContact CG2-CG2 3.62Å; I240-L298 HydrophobicContact CD1-CD1 4.36Å; I240-L298 HydrophobicContact CD1-CD2 3.41Å; I240-L298 VanDerWaalsContact CD1-CD2 3.41Å
241	L	90.6	Very high	88.7	Confident	34 Å²	34	19.5 Å²	19.5	18%	0.178	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	158.1	-179.2	-56.6	-172.8	0	0	0	110.5	L191 G194 D195 I248 K249 T251	L191-L241 HydrophobicContact CB-CB 3.99Å; L191-L241 HydrophobicContact CB-CD1 4.27Å; L191-L241 HydrophobicContact CD1-CB 3.6Å; L191-L241 HydrophobicContact CD1-CD1 4Å; L191-L241 HydrophobicContact CD1-CG 4.33Å; L191-L241 HydrophobicContact CG-CB 4.46Å; G194-L241 CarbonylContact O-C 3.6Å; G194-L241 VanDerWaalsContact O-CA 3.29Å; G194-L241 WeakPolarHBondContact O-CA 3.5Å; D195-L241 VanDerWaalsContact CA-CD2 3.49Å; D195-L241 HydrophobicContact CB-CD2 3.46Å; D195-L241 VanDerWaalsContact CB-CD2 3.46Å; L241-I248 CarbonylContact O-C 3.46Å; L241-I248 VanDerWaalsContact O-CA 3.29Å; L241-I248 WeakPolarHBondContact O-CA 3.46Å; L241-K249 PolarHBondContact N-O 3.24Å; L241-K249 PolarHBondContact O-N 3.34Å; L241-T251 HydrophobicContact CD1-CG2 3.87Å; L241-T251 HydrophobicContact CD2-CG2 4.5Å; L241-T251 HydrophobicContact CG-CG2 3.81Å
242	L	88.6	Confident	88.3	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.7	176.1	-66.7	167.9	0	0	0	110.8	L191 G193 G194 Y214 G246 H247 I248 F385 P387	L191-L242 CarbonylContact C-O 3.58Å; G193-L242 VanDerWaalsContact CA-O 3.24Å; G193-L242 WeakPolarHBondContact CA-O 3.29Å; G193-L242 PolarHBondContact N-O 3.36Å; G194-L242 PolarHBondContact O-N 2.95Å; Y214-L242 HydrophobicContact CE1-CD2 3.96Å; L242-G246 WeakPolarHBondContact CD2-O 3.22Å; L242-H247 WeakPolarHBondContact CA-O 3.34Å; L242-I248 HydrophobicContact CD2-CG2 3.66Å; L242-F385 HydrophobicContact CD1-CD1 4.4Å; L242-P387 HydrophobicContact CB-CG 4.35Å
243	D	88.8	Confident	87.9	Confident	11 Å²	11	22 Å²	22	6%	0.059	11%	0.106	C	C	.	.			trans	-77.7	-175.8	166.7	66.7	18.1	0	0	0	111.9	L191 E245 G246 H247 K379 P387	L191-D243 HydrophobicContact CD2-CB 4.16Å; D243-E245 VanDerWaalsContact C-N 3.3Å; D243-E245 PolarHBondContact OD1-N 2.75Å; D243-G246 PolarHBondContact O-N 2.8Å; D243-G246 PolarHBondContact OD1-N 3.3Å; D243-H247 PolarHBondContact N-O 3.37Å; D243-H247 PolarHBondContact OD1-N 3.44Å; D243-K379 IonicContact OD2-NZ 3.69Å; D243-K379 PolarHBondContact OD2-NZ 2.94Å; D243-P387 WeakPolarHBondContact O-CG 3.44Å
244	E	84.4	Confident	86.9	Confident	79 Å²	79	21.3 Å²	21.3	37%	0.369	11%	0.107	S	C	.	.	S	Bend	trans	-76.4	-18.4	-175.3	69.6	-170.4	164.5	0	0	113.7	R192 V389	R192-E244 IonicContact NH1-OE2 2.67Å; R192-E244 PolarHBondContact NH1-OE2 3.23Å; E244-V389 HydrophobicContact CB-CG1 4Å; E244-V389 HydrophobicContact CB-CG2 4.36Å
245	E	84.8	Confident	86.1	Confident	78 Å²	78	22.8 Å²	22.8	36%	0.364	12%	0.115	S	C	.	.	S	Bend	trans	-82.9	-24.4	170.7	-69.1	68.5	-139.7	0	0	112.3	D243	D243-E245 VanDerWaalsContact C-N 3.3Å; D243-E245 PolarHBondContact OD1-N 2.75Å
246	G	86.3	Confident	85.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	101.7	15.6	179.9	0	0	0	0	0	115	Y214 L242 D243 F385 P387	Y214-G246 WeakPolarHBondContact CE1-O 3.31Å; L242-G246 WeakPolarHBondContact CD2-O 3.22Å; D243-G246 PolarHBondContact O-N 2.8Å; D243-G246 PolarHBondContact OD1-N 3.3Å; G246-F385 WeakPolarHBondContact CA-O 3.48Å; G246-P387 VanDerWaalsContact CA-CD 3.44Å
247	H	93	Very high	85	Confident	7 Å²	7	24.3 Å²	24.3	3%	0.032	12%	0.121	C	C	.	.			trans	-80.9	148.7	169.3	-63.5	-81.5	0	0	0	110.5	F170 F213 E217 L242 D243 M381 P383	F170-H247 HydrophobicContact CD1-CB 4.43Å; F170-H247 HydrophobicContact CE1-CB 4.09Å; F213-H247 AromaticContact CZ-ND1 3.86Å; E217-H247 IonicContact OE1-CE1 3.69Å; E217-H247 IonicContact OE1-CG 2.86Å; E217-H247 IonicContact OE1-ND1 2.73Å; E217-H247 PolarHBondContact OE1-ND1 2.86Å; L242-H247 WeakPolarHBondContact CA-O 3.34Å; D243-H247 PolarHBondContact N-O 3.37Å; D243-H247 PolarHBondContact OD1-N 3.44Å; H247-M381 PolarHBondContact CE1-O 3.11Å; H247-P383 VanDerWaalsContact CE1-CG 3.45Å; H247-P383 WeakPolarHBondContact CE1-CG 3.44Å; H247-P383 WeakPolarHBondContact NE2-CG 3.47Å
248	I	94.1	Very high	84.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	150.7	178.3	61.4	137.2	0	0	0	112.3	F170 Y214 E217 L218 I240 L241 L242	F170-I248 WeakPolarHBondContact CA-O 3.36Å; F170-I248 WeakPolarHBondContact CD1-O 3.37Å; Y214-I248 HydrophobicContact CD1-CG2 3.49Å; Y214-I248 VanDerWaalsContact CD1-CG2 3.49Å; Y214-I248 HydrophobicContact CE1-CG2 4.01Å; Y214-I248 HydrophobicContact CG-CG2 4.25Å; E217-I248 HydrophobicContact CB-CD1 3.94Å; E217-I248 HydrophobicContact CB-CG1 3.53Å; E217-I248 HydrophobicContact CG-CG1 4.4Å; E217-I248 WeakPolarHBondContact OE2-CG1 3.43Å; E217-I248 PolarHBondContact OE2-N 3.44Å; L218-I248 HydrophobicContact CB-CD1 3.79Å; L218-I248 HydrophobicContact CD1-CD1 3.99Å; I240-I248 HydrophobicContact CG2-CB 3.66Å; I240-I248 HydrophobicContact CG2-CD1 4.04Å; I240-I248 HydrophobicContact CG2-CG1 4.48Å; I240-I248 HydrophobicContact CG2-CG2 3.62Å; L241-I248 CarbonylContact O-C 3.46Å; L241-I248 VanDerWaalsContact O-CA 3.29Å; L241-I248 WeakPolarHBondContact O-CA 3.46Å; L242-I248 HydrophobicContact CD2-CG2 3.66Å
249	K	94.7	Very high	83.4	Confident	27 Å²	27	23.9 Å²	23.9	12%	0.117	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.8	161.3	-58.1	-155.5	-177.2	-159.5	0	111.3	P169 F170 D189 L191 L241	P169-K249 VanDerWaalsContact O-CE 3.29Å; P169-K249 WeakPolarHBondContact O-CE 3.28Å; F170-K249 WeakPolarHBondContact O-CA 3.48Å; D189-K249 IonicContact OD2-NZ 2.95Å; D189-K249 PolarHBondContact OD2-NZ 3.27Å; L191-K249 HydrophobicContact CD1-CB 3.66Å; L191-K249 HydrophobicContact CD1-CD 4.11Å; L191-K249 HydrophobicContact CD1-CG 4.15Å; L191-K249 HydrophobicContact CD2-CD 3.77Å; L191-K249 HydrophobicContact CD2-CG 4.21Å; L241-K249 PolarHBondContact N-O 3.24Å; L241-K249 PolarHBondContact O-N 3.34Å
250	I	94.2	Very high	81.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.9	171.4	-54	-178.9	0	0	0	109.6	F170 V172 L218 A221 L222 Y232 F253	F170-I250 PolarHBondContact O-N 3.03Å; V172-I250 WeakPolarHBondContact CB-O 3.45Å; V172-I250 WeakPolarHBondContact CG1-O 3.42Å; V172-I250 PolarHBondContact N-O 3.4Å; L218-I250 HydrophobicContact CD1-CD1 3.51Å; L218-I250 HydrophobicContact CD1-CG1 3.7Å; A221-I250 HydrophobicContact CB-CD1 3.49Å; A221-I250 VanDerWaalsContact CB-CD1 3.49Å; A221-I250 HydrophobicContact CB-CG1 4.09Å; L222-I250 HydrophobicContact CD2-CD1 4.48Å; Y232-I250 HydrophobicContact CD2-CG2 4.1Å; Y232-I250 HydrophobicContact CE1-CG2 3.91Å; Y232-I250 HydrophobicContact CE2-CG2 3.39Å; Y232-I250 WeakPolarHBondContact OH-CG2 3.4Å; I250-F253 HydrophobicContact CG2-CE2 4.48Å; I250-F253 HydrophobicContact CG2-CZ 4.15Å
251	T	89.9	Confident	80.1	Confident	23 Å²	23	33.9 Å²	33.9	14%	0.141	18%	0.175	C	C	.	.			trans	-125	-177.6	174.8	-166.8	0	0	0	0	112.2	Y232 N239 L241	Y232-T251 PolarHBondContact OH-O 3.46Å; N239-T251 WeakPolarHBondContact O-CG2 3.11Å; N239-T251 PolarHBondContact O-N 3.06Å; L241-T251 HydrophobicContact CD1-CG2 3.87Å; L241-T251 HydrophobicContact CD2-CG2 4.5Å; L241-T251 HydrophobicContact CG-CG2 3.81Å
252	D	81.7	Confident	78.2	Confident	52 Å²	52	41.7 Å²	41.7	28%	0.278	21%	0.211	S	C	.	.			trans	54.7	76.1	174.6	-158.4	20.7	0	0	0	116	K141 G254	K141-D252 IonicContact NZ-OD1 3.9Å; K141-D252 PolarHBondContact NZ-OD1 3.36Å; D252-G254 PolarHBondContact O-N 2.82Å
253	F	81.5	Confident	76.7	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-85	11.8	179.8	-70.1	-98.6	0	0	0	113.5	E159 I162 L163 I171 V172 L225 Y232 I250 L255 S256	E159-F253 HydrophobicContact CG-CB 3.98Å; I162-F253 HydrophobicContact CG2-CB 4.38Å; I162-F253 HydrophobicContact CG2-CD1 3.68Å; I162-F253 HydrophobicContact CG2-CE1 4.3Å; I162-F253 HydrophobicContact CG2-CG 4.2Å; L163-F253 HydrophobicContact CD2-CD2 3.49Å; L163-F253 VanDerWaalsContact CD2-CD2 3.49Å; L163-F253 HydrophobicContact CD2-CE2 3.77Å; L163-F253 HydrophobicContact CD2-CG 4.2Å; L163-F253 HydrophobicContact CG-CB 4.44Å; L163-F253 HydrophobicContact CG-CD2 4.04Å; L163-F253 HydrophobicContact CG-CG 4.36Å; I171-F253 HydrophobicContact CG2-CE1 4.5Å; I171-F253 HydrophobicContact CG2-CE2 3.76Å; I171-F253 HydrophobicContact CG2-CZ 3.43Å; I171-F253 VanDerWaalsContact CG2-CZ 3.43Å; V172-F253 HydrophobicContact CG1-CE2 4.14Å; L225-F253 HydrophobicContact CD1-CE1 3.81Å; L225-F253 HydrophobicContact CD1-CZ 4.39Å; L225-F253 HydrophobicContact CD2-CE1 3.76Å; L225-F253 HydrophobicContact CD2-CZ 4.48Å; L225-F253 HydrophobicContact CG-CE1 4.44Å; Y232-F253 HydrophobicContact CD2-CD1 4.01Å; Y232-F253 AromaticContact CD2-CE1 3.83Å; Y232-F253 HydrophobicContact CD2-CE1 3.83Å; Y232-F253 HydrophobicContact CD2-CZ 4.42Å; Y232-F253 HydrophobicContact CE2-CD1 4.12Å; Y232-F253 HydrophobicContact CE2-CE1 4.01Å; Y232-F253 HydrophobicContact CE2-CG 4.45Å; Y232-F253 HydrophobicContact CE2-CZ 4.23Å; I250-F253 HydrophobicContact CG2-CE2 4.48Å; I250-F253 HydrophobicContact CG2-CZ 4.15Å; F253-L255 PolarHBondContact O-N 3.26Å; F253-L255 VanDerWaalsContact O-N 3.1Å; F253-S256 WeakPolarHBondContact CD1-OG 3.12Å; F253-S256 WeakPolarHBondContact O-CB 3.33Å; F253-S256 PolarHBondContact O-N 2.88Å; F253-S256 PolarHBondContact O-OG 3.39Å
254	G	68.7	Low	75.7	Confident	12 Å²	12	52 Å²	52	12%	0.124	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61.7	-20	-176.4	0	0	0	0	0	114.7	R155 D252	R155-G254 WeakPolarHBondContact CB-O 3.17Å; D252-G254 PolarHBondContact O-N 2.82Å
255	L	68.3	Low	75	Confident	38 Å²	38	52.7 Å²	52.7	20%	0.199	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-108.9	0.8	175.3	-64.3	-176.1	0	0	0	113.8	R233 D234 F253 C270	R233-L255 PolarHBondContact NE-O 3.4Å; R233-L255 PolarHBondContact NH2-O 3.45Å; D234-L255 HydrophobicContact CB-CB 4.13Å; D234-L255 HydrophobicContact CB-CD1 4Å; F253-L255 PolarHBondContact O-N 3.26Å; F253-L255 VanDerWaalsContact O-N 3.1Å; L255-C270 HydrophobicContact CD2-CB 4.31Å
256	S	75.3	Confident	74.5	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.			trans	-69.5	163.7	177.4	-54.3	0	0	0	0	111.5	M158 I231 Y232 R233 F253	M158-S256 WeakPolarHBondContact CE-O 3.45Å; I231-S256 CarbonylContact O-C 3.6Å; I231-S256 VanDerWaalsContact O-CA 3.28Å; I231-S256 WeakPolarHBondContact O-CA 3.22Å; Y232-S256 WeakPolarHBondContact CD2-OG 3.47Å; Y232-S256 WeakPolarHBondContact O-CA 3.31Å; Y232-S256 PolarHBondContact O-OG 3.33Å; R233-S256 PolarHBondContact NH2-O 3.03Å; F253-S256 WeakPolarHBondContact CD1-OG 3.12Å; F253-S256 WeakPolarHBondContact O-CB 3.33Å; F253-S256 PolarHBondContact O-N 2.88Å; F253-S256 PolarHBondContact O-OG 3.39Å
257	K	76.4	Confident	74.1	Confident	63 Å²	63	55 Å²	55	27%	0.274	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	137	177.3	176.1	168.9	-175.1	-171.3	0	112	M158 I231 R233 A266	M158-K257 HydrophobicContact CE-CB 4.34Å; I231-K257 PolarHBondContact N-O 2.86Å; I231-K257 PolarHBondContact O-N 2.92Å; R233-K257 VanDerWaalsContact CZ-CB 3.41Å; R233-K257 VanDerWaalsContact NH2-CB 3.29Å; K257-A266 HydrophobicContact CD-CB 3.97Å
258	E	69.5	Low	73.2	Confident	40 Å²	40	57.1 Å²	57.1	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.9	167	-63	-174.5	148.7	0	0	110.7	R60 I230 I260	R60-E258 IonicContact NH2-OE1 2.57Å; R60-E258 PolarHBondContact NH2-OE1 3.32Å; R60-E258 VanDerWaalsContact NH2-OE1 3.09Å; I230-E258 HydrophobicContact CG1-CG 4.35Å; E258-I260 HydrophobicContact CB-CD1 3.9Å; E258-I260 HydrophobicContact CB-CG1 3.54Å; E258-I260 PolarHBondContact O-N 3.37Å; E258-I260 WeakPolarHBondContact OE2-CD1 3.4Å
259	A	61.9	Low	72.4	Confident	24 Å²	24	60.3 Å²	60.3	20%	0.198	29%	0.294	C	S	.	.			trans	-79.6	68.3	174.4	0	0	0	0	0	110.8	G229 I231 D261 K264	G229-A259 WeakPolarHBondContact O-CB 3.47Å; G229-A259 PolarHBondContact O-N 3.05Å; I231-A259 HydrophobicContact CD1-CB 4.28Å; I231-A259 HydrophobicContact CG1-CB 4.48Å; A259-D261 VanDerWaalsContact C-N 3.33Å; A259-D261 PolarHBondContact O-N 3.47Å; A259-K264 HydrophobicContact CB-CB 4Å
260	I	54.5	Low	71.5	Confident	136 Å²	136	59.6 Å²	59.6	70%	0.697	29%	0.293	S	S	*	.			trans	-78.3	-14.3	-173.7	-50.3	166.7	0	0	0	112.8	E258	E258-I260 HydrophobicContact CB-CD1 3.9Å; E258-I260 HydrophobicContact CB-CG1 3.54Å; E258-I260 PolarHBondContact O-N 3.37Å; E258-I260 WeakPolarHBondContact OE2-CD1 3.4Å
261	D	54.6	Low	70.7	Confident	85 Å²	85	60.8 Å²	60.8	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-82.6	161.4	-174.3	-155.8	-0.8	0	0	0	113.2	A259 D263 K264	A259-D261 VanDerWaalsContact C-N 3.33Å; A259-D261 PolarHBondContact O-N 3.47Å; D261-D263 VanDerWaalsContact C-N 3.3Å; D261-D263 PolarHBondContact O-N 3.05Å; D261-K264 WeakPolarHBondContact O-CA 3.44Å; D261-K264 PolarHBondContact O-N 3.44Å
262	H	50.2	Low	70.3	Confident	198 Å²	198	61.8 Å²	61.8	92%	0.917	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.9	-174.5	-93.3	-70	0	0	0	114.6
263	D	58.6	Low	70.5	Confident	85 Å²	85	60.4 Å²	60.4	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.3	172.2	-148	143.2	0	0	0	112.1	D261 R265	D261-D263 VanDerWaalsContact C-N 3.3Å; D261-D263 PolarHBondContact O-N 3.05Å; D263-R265 HydrophobicContact CB-CB 4.38Å; D263-R265 HydrophobicContact CB-CG 3.98Å; D263-R265 PolarHBondContact O-N 3.36Å; D263-R265 IonicContact OD1-CZ 3.34Å; D263-R265 IonicContact OD1-NE 3.27Å; D263-R265 PolarHBondContact OD1-NE 2.92Å; D263-R265 IonicContact OD1-NH2 3.15Å; D263-R265 PolarHBondContact OD1-NH2 3.28Å; D263-R265 VanDerWaalsContact OD1-NH2 3.15Å; D263-R265 IonicContact OD2-CZ 2.91Å; D263-R265 IonicContact OD2-NE 3.42Å; D263-R265 PolarHBondContact OD2-NE 2.88Å; D263-R265 IonicContact OD2-NH2 2.71Å; D263-R265 PolarHBondContact OD2-NH2 3Å
264	K	66.4	Low	70.8	Confident	144 Å²	144	62 Å²	62	63%	0.626	31%	0.311	S	S	*	.			trans	51.5	33.6	-169.5	-64.2	-177.3	178.4	-176.3	0	113.3	A259 D261	A259-K264 HydrophobicContact CB-CB 4Å; D261-K264 WeakPolarHBondContact O-CA 3.44Å; D261-K264 PolarHBondContact O-N 3.44Å
265	R	70.5	Confident	71.9	Confident	93 Å²	93	61.9 Å²	61.9	35%	0.351	31%	0.307	S	S	.	.			trans	-103.5	147	-176.5	-72.5	-177.3	-161	-167.1	14.8	113.5	D263 Y267 H286 T287	D263-R265 HydrophobicContact CB-CB 4.38Å; D263-R265 HydrophobicContact CB-CG 3.98Å; D263-R265 PolarHBondContact O-N 3.36Å; D263-R265 IonicContact OD1-CZ 3.34Å; D263-R265 IonicContact OD1-NE 3.27Å; D263-R265 PolarHBondContact OD1-NE 2.92Å; D263-R265 IonicContact OD1-NH2 3.15Å; D263-R265 PolarHBondContact OD1-NH2 3.28Å; D263-R265 VanDerWaalsContact OD1-NH2 3.15Å; D263-R265 IonicContact OD2-CZ 2.91Å; D263-R265 IonicContact OD2-NE 3.42Å; D263-R265 PolarHBondContact OD2-NE 2.88Å; D263-R265 IonicContact OD2-NH2 2.71Å; D263-R265 PolarHBondContact OD2-NH2 3Å; R265-Y267 HydrophobicContact CB-CE2 3.98Å; R265-H286 CarbonylContact C-O 3.51Å; R265-H286 WeakPolarHBondContact CA-O 3.22Å; R265-T287 HydrophobicContact CG-CG2 3.82Å
266	A	75.3	Confident	73	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-109.9	138.3	165.3	0	0	0	0	0	110.4	I231 K257 G285 H286	I231-A266 HydrophobicContact CD1-CB 4.24Å; K257-A266 HydrophobicContact CD-CB 3.97Å; A266-G285 CarbonylContact O-C 3.47Å; A266-G285 VanDerWaalsContact O-CA 3.23Å; A266-G285 WeakPolarHBondContact O-CA 3.08Å; A266-H286 VanDerWaalsContact CB-NE2 3.34Å; A266-H286 WeakPolarHBondContact CB-NE2 3.34Å; A266-H286 PolarHBondContact N-O 3.22Å; A266-H286 PolarHBondContact O-CE1 2.98Å; A266-H286 VanDerWaalsContact O-CE1 3.25Å; A266-H286 PolarHBondContact O-N 3.49Å; A266-H286 PolarHBondContact O-ND1 3.12Å
267	Y	76.9	Confident	73.8	Confident	125 Å²	125	60.6 Å²	60.6	49%	0.49	30%	0.3	S	S	.	.			trans	-110.3	-1.4	-175.8	-64.3	-87.3	0	0	0	113.9	R265	R265-Y267 HydrophobicContact CB-CE2 3.98Å
268	S	74.6	Confident	74.7	Confident	52 Å²	52	57.9 Å²	57.9	36%	0.364	29%	0.289	S	S	.	.			trans	-75	131	-175.7	-52.5	0	0	0	0	111.5	C270 H286	S268-C270 PolarHBondContact O-N 2.95Å; S268-H286 PolarHBondContact O-CE1 3Å; S268-H286 VanDerWaalsContact O-CE1 3.28Å
269	F	76.6	Confident	75.8	Confident	68 Å²	68	56.6 Å²	56.6	30%	0.298	28%	0.283	S	S	.	.			trans	-81.4	99.4	168.6	-172	-86.5	0	0	0	109	M276 R283 M318	F269-M276 HydrophobicContact CE1-CE 4.26Å; F269-M276 HydrophobicContact CE1-SD 4.42Å; F269-M276 HydrophobicContact CE2-SD 4.19Å; F269-M276 HydrophobicContact CZ-CE 4.45Å; F269-M276 HydrophobicContact CZ-SD 4.04Å; F269-R283 HydrophobicContact CD2-CG 4.02Å; F269-M318 HydrophobicContact CZ-CE 3.81Å
270	C	75.2	Confident	77.1	Confident	13 Å²	13	55.9 Å²	55.9	9%	0.088	28%	0.276	C	S	.	.			trans	-151.8	159.5	-177.9	57.6	0	0	0	0	111.5	L255 S268 M276	L255-C270 HydrophobicContact CD2-CB 4.31Å; S268-C270 PolarHBondContact O-N 2.95Å; C270-M276 VanDerWaalsContact O-CE 3.29Å; C270-M276 WeakPolarHBondContact O-CE 3.49Å
271	G	77.2	Confident	78.7	Confident	25 Å²	25	50.1 Å²	50.1	26%	0.258	25%	0.247	S	C	.	.	S	Bend	trans	109.7	-179.8	-174.4	0	0	0	0	0	112.5	M276	G271-M276 WeakPolarHBondContact O-CE 3.46Å
272	T	81.9	Confident	80.2	Confident	43 Å²	43	49.4 Å²	49.4	26%	0.264	24%	0.243	S	C	.	.			trans	-81.7	123.6	171.7	-59.4	0	0	0	0	110	E274 Y275 M276	T272-E274 HydrophobicContact CG2-CB 4.41Å; T272-E274 WeakPolarHBondContact CG2-OE2 3.21Å; T272-E274 PolarHBondContact O-N 3.15Å; T272-E274 VanDerWaalsContact O-N 3.16Å; T272-Y275 HydrophobicContact CG2-CD2 3.71Å; T272-Y275 HydrophobicContact CG2-CE2 4Å; T272-Y275 PolarHBondContact O-N 3.32Å; T272-M276 WeakPolarHBondContact O-CG 3.21Å; T272-M276 PolarHBondContact O-N 3.19Å
273	I	85.6	Confident	81.8	Confident	23 Å²	23	48 Å²	48	12%	0.118	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-54.3	-41.9	-169.3	-69.2	165.4	0	0	0	111.5	Y275 M276 R314 T317 M318 I321	I273-Y275 PolarHBondContact O-N 2.82Å; I273-M276 HydrophobicContact CG1-CE 4.19Å; I273-M276 WeakPolarHBondContact O-CB 3.27Å; I273-M276 PolarHBondContact O-N 3.17Å; I273-R314 HydrophobicContact CD1-CB 4.08Å; I273-R314 HydrophobicContact CD1-CG 3.73Å; I273-T317 HydrophobicContact CG2-CG2 3.99Å; I273-M318 HydrophobicContact CD1-CE 3.58Å; I273-M318 HydrophobicContact CG1-CE 4.09Å; I273-M318 HydrophobicContact CG2-CE 4.22Å; I273-M318 HydrophobicContact CG2-CG 3.97Å; I273-I321 HydrophobicContact CG2-CD1 4.35Å; I273-I321 WeakPolarHBondContact O-CD1 3.38Å
274	E	88.9	Confident	82.6	Confident	36 Å²	36	52.7 Å²	52.7	17%	0.168	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59.6	-25.1	-178.3	-62.4	87.4	157.3	0	0	113	T272 L307 T317	T272-E274 HydrophobicContact CG2-CB 4.41Å; T272-E274 WeakPolarHBondContact CG2-OE2 3.21Å; T272-E274 PolarHBondContact O-N 3.15Å; T272-E274 VanDerWaalsContact O-N 3.16Å; E274-L307 HydrophobicContact CB-CD1 3.75Å; E274-L307 HydrophobicContact CB-CD2 4.32Å; E274-L307 HydrophobicContact CG-CD1 3.8Å; E274-T317 HydrophobicContact CG-CG2 4.29Å
275	Y	91.3	Very high	83.2	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.035	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-104	-2.9	178.4	-60.1	-100.3	0	0	0	113.2	L235 K236 P237 T272 I273 S294 V297 E301 L307	L235-Y275 VanDerWaalsContact O-CD1 3.28Å; L235-Y275 WeakPolarHBondContact O-CD1 3.49Å; K236-Y275 HydrophobicContact CB-CD1 4.42Å; K236-Y275 HydrophobicContact CB-CD2 4.23Å; K236-Y275 HydrophobicContact CB-CE1 4.23Å; K236-Y275 HydrophobicContact CB-CE2 4Å; K236-Y275 HydrophobicContact CB-CG 4.44Å; P237-Y275 WeakPolarHBondContact CD-OH 3.46Å; T272-Y275 HydrophobicContact CG2-CD2 3.71Å; T272-Y275 HydrophobicContact CG2-CE2 4Å; T272-Y275 PolarHBondContact O-N 3.32Å; I273-Y275 PolarHBondContact O-N 2.82Å; Y275-S294 PolarHBondContact O-OG 2.9Å; Y275-V297 HydrophobicContact CD1-CB 3.85Å; Y275-V297 HydrophobicContact CD1-CG1 3.38Å; Y275-V297 HydrophobicContact CE1-CB 4.43Å; Y275-V297 HydrophobicContact CE1-CG1 3.67Å; Y275-V297 HydrophobicContact CG-CG1 3.96Å; Y275-E301 VanDerWaalsContact OH-CD 3.22Å; Y275-E301 PolarHBondContact OH-OE1 3.27Å; Y275-E301 PolarHBondContact OH-OE2 3.4Å; Y275-L307 HydrophobicContact CE1-CD2 4.29Å; Y275-L307 HydrophobicContact CE2-CD2 4.19Å
276	M	91.6	Very high	83.8	Confident	9 Å²	9	42 Å²	42	4%	0.044	20%	0.199	C	C	.	.			trans	-73.2	137.6	-176.3	-70.6	-172.1	-169.1	0	0	112	F269 C270 G271 T272 I273 V280 V281 W293	F269-M276 HydrophobicContact CE1-CE 4.26Å; F269-M276 HydrophobicContact CE1-SD 4.42Å; F269-M276 HydrophobicContact CE2-SD 4.19Å; F269-M276 HydrophobicContact CZ-CE 4.45Å; F269-M276 HydrophobicContact CZ-SD 4.04Å; C270-M276 VanDerWaalsContact O-CE 3.29Å; C270-M276 WeakPolarHBondContact O-CE 3.49Å; G271-M276 WeakPolarHBondContact O-CE 3.46Å; T272-M276 WeakPolarHBondContact O-CG 3.21Å; T272-M276 PolarHBondContact O-N 3.19Å; I273-M276 HydrophobicContact CG1-CE 4.19Å; I273-M276 WeakPolarHBondContact O-CB 3.27Å; I273-M276 PolarHBondContact O-N 3.17Å; M276-V280 HydrophobicContact CB-CB 4.37Å; M276-V280 HydrophobicContact CB-CG1 4.42Å; M276-V280 HydrophobicContact CG-CG1 4.26Å; M276-V280 HydrophobicContact SD-CG1 3.91Å; M276-V281 HydrophobicContact CB-CG2 3.86Å; M276-W293 PolarHBondContact O-NE1 3.26Å; M276-W293 VanDerWaalsContact O-NE1 3.14Å
277	A	93	Very high	84.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.008	21%	0.212	C	C	.	.			trans	-68.7	153	172	0	0	0	0	0	112.4	E279 V280 V281 A290 W293	A277-E279 VanDerWaalsContact C-N 3.26Å; A277-E279 VanDerWaalsContact CB-CD 3.48Å; A277-E279 HydrophobicContact CB-CG 4.37Å; A277-E279 WeakPolarHBondContact CB-OE1 3.5Å; A277-E279 WeakPolarHBondContact CB-OE2 3.49Å; A277-E279 PolarHBondContact O-N 3.28Å; A277-V280 HydrophobicContact CB-CG2 4.14Å; A277-V280 WeakPolarHBondContact O-CB 3.3Å; A277-V280 PolarHBondContact O-N 3.4Å; A277-V281 PolarHBondContact O-N 3.31Å; A277-V281 VanDerWaalsContact O-N 3.08Å; A277-A290 HydrophobicContact CB-CB 4.06Å; A277-W293 VanDerWaalsContact CA-CD1 3.46Å; A277-W293 HydrophobicContact CB-CB 3.62Å; A277-W293 HydrophobicContact CB-CD2 4.24Å; A277-W293 HydrophobicContact CB-CG 3.66Å
278	P	93.8	Very high	85	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-54.9	-36.5	-179.5	-27.8	35.5	0	0	0	114.3	V280 V281 N282 W293 I321 L322 R346	P278-V280 VanDerWaalsContact C-N 3.34Å; P278-V281 PolarHBondContact O-N 2.81Å; P278-N282 WeakPolarHBondContact O-CB 3.27Å; P278-N282 PolarHBondContact O-N 3.04Å; P278-N282 PolarHBondContact O-ND2 2.87Å; P278-W293 HydrophobicContact CG-CD2 4.46Å; P278-W293 HydrophobicContact CG-CE3 4.12Å; P278-W293 HydrophobicContact CG-CH2 3.51Å; P278-W293 HydrophobicContact CG-CZ2 3.89Å; P278-W293 HydrophobicContact CG-CZ3 3.63Å; P278-I321 HydrophobicContact CB-CG2 4.45Å; P278-I321 HydrophobicContact CG-CG2 4.03Å; P278-L322 HydrophobicContact CB-CD2 4.01Å; P278-R346 HydrophobicContact CG-CB 4.44Å; P278-R346 HydrophobicContact CG-CG 4.14Å
279	E	92.4	Very high	85.9	Confident	13 Å²	13	38.8 Å²	38.8	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-31	177.3	63.5	-87.7	-157	0	0	113.4	A277 R283 R284 H286 P348 R351	A277-E279 VanDerWaalsContact C-N 3.26Å; A277-E279 VanDerWaalsContact CB-CD 3.48Å; A277-E279 HydrophobicContact CB-CG 4.37Å; A277-E279 WeakPolarHBondContact CB-OE1 3.5Å; A277-E279 WeakPolarHBondContact CB-OE2 3.49Å; A277-E279 PolarHBondContact O-N 3.28Å; E279-R283 PolarHBondContact O-N 2.74Å; E279-R284 PolarHBondContact O-N 2.75Å; E279-R284 VanDerWaalsContact O-N 3.15Å; E279-H286 HydrophobicContact CG-CB 3.98Å; E279-P348 HydrophobicContact CG-CG 4.49Å; E279-R351 IonicContact OE1-CZ 2.84Å; E279-R351 IonicContact OE1-NH1 2.72Å; E279-R351 PolarHBondContact OE1-NH1 3.37Å; E279-R351 IonicContact OE1-NH2 2.91Å; E279-R351 PolarHBondContact OE1-NH2 3.1Å; E279-R351 IonicContact OE2-CZ 3.66Å; E279-R351 IonicContact OE2-NH1 3.23Å; E279-R351 IonicContact OE2-NH2 2.77Å; E279-R351 PolarHBondContact OE2-NH2 3.09Å
280	V	90.6	Very high	86.7	Confident	10 Å²	10	35.8 Å²	35.8	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-46.2	174	-176.1	0	0	0	0	109.3	M276 A277 P278 N282 R283 H286 A290	M276-V280 HydrophobicContact CB-CB 4.37Å; M276-V280 HydrophobicContact CB-CG1 4.42Å; M276-V280 HydrophobicContact CG-CG1 4.26Å; M276-V280 HydrophobicContact SD-CG1 3.91Å; A277-V280 HydrophobicContact CB-CG2 4.14Å; A277-V280 WeakPolarHBondContact O-CB 3.3Å; A277-V280 PolarHBondContact O-N 3.4Å; P278-V280 VanDerWaalsContact C-N 3.34Å; V280-N282 VanDerWaalsContact C-N 3.32Å; V280-N282 PolarHBondContact O-N 2.94Å; V280-R283 PolarHBondContact O-N 2.73Å; V280-H286 HydrophobicContact CG2-CB 3.7Å; V280-A290 HydrophobicContact CG2-CB 4Å
281	V	88.6	Confident	87.6	Confident	14 Å²	14	35.1 Å²	35.1	9%	0.085	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-42.2	177.3	177.8	0	0	0	0	111.3	M276 A277 P278 R283 M318 I321 L322	M276-V281 HydrophobicContact CB-CG2 3.86Å; A277-V281 PolarHBondContact O-N 3.31Å; A277-V281 VanDerWaalsContact O-N 3.08Å; P278-V281 PolarHBondContact O-N 2.81Å; V281-R283 VanDerWaalsContact C-N 3.26Å; V281-R283 PolarHBondContact O-N 3.32Å; V281-M318 HydrophobicContact CG1-CB 3.83Å; V281-M318 HydrophobicContact CG1-CG 3.85Å; V281-M318 HydrophobicContact CG1-SD 4.4Å; V281-I321 HydrophobicContact CG2-CD1 4.29Å; V281-I321 HydrophobicContact CG2-CG2 4.07Å; V281-L322 HydrophobicContact CB-CD2 4.23Å; V281-L322 HydrophobicContact CG1-CD1 4.07Å; V281-L322 HydrophobicContact CG1-CD2 4.16Å; V281-L322 HydrophobicContact CG1-CG 4.05Å
282	N	86.1	Confident	88.5	Confident	71 Å²	71	34 Å²	34	38%	0.38	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1.9	177	-80.3	-30.3	0	0	0	114.7	P278 V280 R284 L322	P278-N282 WeakPolarHBondContact O-CB 3.27Å; P278-N282 PolarHBondContact O-N 3.04Å; P278-N282 PolarHBondContact O-ND2 2.87Å; V280-N282 VanDerWaalsContact C-N 3.32Å; V280-N282 PolarHBondContact O-N 2.94Å; N282-R284 HydrophobicContact CB-CG 3.99Å; N282-R284 PolarHBondContact O-N 3.49Å; N282-R284 VanDerWaalsContact O-N 3.16Å; N282-L322 VanDerWaalsContact CG-CD2 3.49Å; N282-L322 VanDerWaalsContact ND2-CD2 3.27Å; N282-L322 WeakPolarHBondContact ND2-CD2 3.35Å; N282-L322 WeakPolarHBondContact OD1-CD1 3.39Å; N282-L322 WeakPolarHBondContact OD1-CD2 3.32Å
283	R	83.7	Confident	89.2	Confident	169 Å²	169	32 Å²	32	64%	0.638	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	29.5	179.8	-54.6	178.2	-180	-125.3	-2.7	114.2	F269 E279 V280 V281 G285	F269-R283 HydrophobicContact CD2-CG 4.02Å; E279-R283 PolarHBondContact O-N 2.74Å; V280-R283 PolarHBondContact O-N 2.73Å; V281-R283 VanDerWaalsContact C-N 3.26Å; V281-R283 PolarHBondContact O-N 3.32Å; R283-G285 PolarHBondContact O-N 3.01Å
284	R	75.3	Confident	89.7	Confident	182 Å²	182	31.2 Å²	31.2	69%	0.687	14%	0.142	S	C	*	.	S	Bend	trans	-83.6	5.7	-177.9	-69.2	-179.1	-178	-168.8	-0.6	113.9	E279 N282	E279-R284 PolarHBondContact O-N 2.75Å; E279-R284 VanDerWaalsContact O-N 3.15Å; N282-R284 HydrophobicContact CB-CG 3.99Å; N282-R284 PolarHBondContact O-N 3.49Å; N282-R284 VanDerWaalsContact O-N 3.16Å
285	G	79.3	Confident	90.1	Very high	6 Å²	6	29.5 Å²	29.5	6%	0.062	13%	0.134	C	C	.	.			trans	80.6	148.4	-163.8	0	0	0	0	0	111.1	A266 R283	A266-G285 CarbonylContact O-C 3.47Å; A266-G285 VanDerWaalsContact O-CA 3.23Å; A266-G285 WeakPolarHBondContact O-CA 3.08Å; R283-G285 PolarHBondContact O-N 3.01Å
286	H	82.4	Confident	90.4	Very high	7 Å²	7	29 Å²	29	3%	0.032	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-136.8	151.9	-179.6	56.2	-87.1	0	0	0	111	R233 R265 A266 S268 E279 V280 A290	R233-H286 WeakPolarHBondContact CD-NE2 3.44Å; R265-H286 CarbonylContact C-O 3.51Å; R265-H286 WeakPolarHBondContact CA-O 3.22Å; A266-H286 VanDerWaalsContact CB-NE2 3.34Å; A266-H286 WeakPolarHBondContact CB-NE2 3.34Å; A266-H286 PolarHBondContact N-O 3.22Å; A266-H286 PolarHBondContact O-CE1 2.98Å; A266-H286 VanDerWaalsContact O-CE1 3.25Å; A266-H286 PolarHBondContact O-N 3.49Å; A266-H286 PolarHBondContact O-ND1 3.12Å; S268-H286 PolarHBondContact O-CE1 3Å; S268-H286 VanDerWaalsContact O-CE1 3.28Å; E279-H286 HydrophobicContact CG-CB 3.98Å; V280-H286 HydrophobicContact CG2-CB 3.7Å; H286-A290 HydrophobicContact CB-CB 4.11Å
287	T	87.9	Confident	90.5	Very high	44 Å²	44	28.6 Å²	28.6	27%	0.27	13%	0.13	S	C	.	.			trans	-112.7	-169.4	175	64.5	0	0	0	0	109.3	R265 S289 A290	R265-T287 HydrophobicContact CG-CG2 3.82Å; T287-S289 PolarHBondContact O-N 2.79Å; T287-S289 VanDerWaalsContact O-N 3.1Å; T287-S289 PolarHBondContact OG1-N 2.88Å; T287-S289 PolarHBondContact OG1-OG 2.81Å; T287-S289 VanDerWaalsContact OG1-OG 3.06Å; T287-A290 WeakPolarHBondContact O-CB 3.4Å; T287-A290 PolarHBondContact O-N 3Å; T287-A290 VanDerWaalsContact O-N 3.13Å
288	Q	89.9	Confident	90.4	Very high	63 Å²	63	28.6 Å²	28.6	29%	0.294	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.6	173.1	74.8	-168.9	33	0	0	114.1	H226 A290 D291	H226-Q288 PolarHBondContact CE1-O 3.22Å; Q288-A290 PolarHBondContact O-N 2.69Å; Q288-A290 VanDerWaalsContact O-N 3.12Å; Q288-D291 PolarHBondContact O-N 2.93Å
289	S	92.1	Very high	90.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-22	175.9	65.9	0	0	0	0	113.6	T287 D291 W292 W293 P348 R351	T287-S289 PolarHBondContact O-N 2.79Å; T287-S289 VanDerWaalsContact O-N 3.1Å; T287-S289 PolarHBondContact OG1-N 2.88Å; T287-S289 PolarHBondContact OG1-OG 2.81Å; T287-S289 VanDerWaalsContact OG1-OG 3.06Å; S289-D291 VanDerWaalsContact C-N 3.3Å; S289-W292 PolarHBondContact O-N 3.12Å; S289-W293 PolarHBondContact O-N 3.12Å; S289-P348 VanDerWaalsContact OG-CB 3.24Å; S289-P348 WeakPolarHBondContact OG-CB 3.3Å; S289-R351 WeakPolarHBondContact O-CD 3.48Å; S289-R351 PolarHBondContact O-NH1 3.31Å
290	A	93.4	Very high	90.2	Very high	5 Å²	5	28.3 Å²	28.3	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-34.6	175.7	0	0	0	0	0	111.8	A277 V280 H286 T287 Q288 W292 W293 S294	A277-A290 HydrophobicContact CB-CB 4.06Å; V280-A290 HydrophobicContact CG2-CB 4Å; H286-A290 HydrophobicContact CB-CB 4.11Å; T287-A290 WeakPolarHBondContact O-CB 3.4Å; T287-A290 PolarHBondContact O-N 3Å; T287-A290 VanDerWaalsContact O-N 3.13Å; Q288-A290 PolarHBondContact O-N 2.69Å; Q288-A290 VanDerWaalsContact O-N 3.12Å; A290-W292 VanDerWaalsContact C-N 3.29Å; A290-W292 PolarHBondContact O-N 3.05Å; A290-W293 WeakPolarHBondContact O-CB 3.42Å; A290-W293 PolarHBondContact O-N 2.98Å; A290-W293 VanDerWaalsContact O-N 3.17Å; A290-S294 PolarHBondContact O-N 3.18Å; A290-S294 VanDerWaalsContact O-N 3.16Å; A290-S294 PolarHBondContact O-OG 3.3Å
291	D	95	Very high	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-34.8	177.2	-66.9	-26.3	0	0	0	111	L222 H226 Y232 R233 Q288 S289 W293 S294 F295	L222-D291 HydrophobicContact CD2-CB 4.2Å; H226-D291 IonicContact CD2-OD2 3.5Å; H226-D291 IonicContact CE1-OD2 3.71Å; H226-D291 IonicContact NE2-OD2 2.73Å; H226-D291 PolarHBondContact NE2-OD2 3.48Å; Y232-D291 PolarHBondContact N-OD2 2.78Å; R233-D291 WeakPolarHBondContact CA-OD1 3.48Å; R233-D291 PolarHBondContact N-OD1 3.23Å; Q288-D291 PolarHBondContact O-N 2.93Å; S289-D291 VanDerWaalsContact C-N 3.3Å; D291-W293 VanDerWaalsContact C-N 3.31Å; D291-W293 PolarHBondContact O-N 3.21Å; D291-S294 PolarHBondContact O-N 3.4Å; D291-F295 WeakPolarHBondContact O-CB 3.31Å; D291-F295 PolarHBondContact O-N 3.48Å
292	W	96.6	Very high	89.6	Confident	1 Å²	1	28 Å²	28	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-27.7	174.9	-61	132	0	0	0	113.7	A219 L222 H226 S289 A290 F295 G296 L343 G353 V359 I362	A219-W292 HydrophobicContact CB-CH2 4.48Å; A219-W292 HydrophobicContact CB-CZ3 4.42Å; L222-W292 HydrophobicContact CB-CH2 3.89Å; L222-W292 HydrophobicContact CB-CZ2 4.5Å; L222-W292 HydrophobicContact CB-CZ3 4.25Å; L222-W292 HydrophobicContact CD1-CE3 4.11Å; L222-W292 HydrophobicContact CD1-CH2 4.21Å; L222-W292 HydrophobicContact CD1-CZ3 3.71Å; H226-W292 AromaticContact CE1-CE2 3.97Å; H226-W292 AromaticContact CE1-NE1 3.97Å; H226-W292 AromaticContact ND1-CZ2 3.94Å; H226-W292 AromaticContact ND1-NE1 3.98Å; S289-W292 PolarHBondContact O-N 3.12Å; A290-W292 VanDerWaalsContact C-N 3.29Å; A290-W292 PolarHBondContact O-N 3.05Å; W292-F295 HydrophobicContact CE3-CB 4.14Å; W292-F295 HydrophobicContact CE3-CD2 4.23Å; W292-F295 HydrophobicContact CE3-CG 4.1Å; W292-F295 HydrophobicContact CZ3-CD2 4.06Å; W292-F295 HydrophobicContact CZ3-CE2 4.27Å; W292-F295 HydrophobicContact CZ3-CG 4.36Å; W292-G296 PolarHBondContact O-N 2.92Å; W292-G296 VanDerWaalsContact O-N 3.15Å; W292-L343 HydrophobicContact CB-CD2 4.27Å; W292-G353 PolarHBondContact NE1-O 2.69Å; W292-V359 HydrophobicContact CH2-CB 4.23Å; W292-V359 HydrophobicContact CH2-CG2 3.64Å; W292-V359 HydrophobicContact CZ2-CB 4.06Å; W292-V359 HydrophobicContact CZ2-CG2 3.98Å; W292-I362 HydrophobicContact CD2-CD1 3.36Å; W292-I362 HydrophobicContact CE3-CD1 3.16Å; W292-I362 HydrophobicContact CG-CD1 4.15Å; W292-I362 HydrophobicContact CH2-CD1 3.56Å; W292-I362 HydrophobicContact CZ2-CD1 3.71Å; W292-I362 HydrophobicContact CZ3-CD1 3.26Å
293	W	96.6	Very high	89.2	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.3	-49.5	168.5	176.6	-80.4	0	0	0	110.7	M276 A277 P278 S289 A290 D291 F295 G296 V297 F309 I321 F344 R346	M276-W293 PolarHBondContact O-NE1 3.26Å; M276-W293 VanDerWaalsContact O-NE1 3.14Å; A277-W293 VanDerWaalsContact CA-CD1 3.46Å; A277-W293 HydrophobicContact CB-CB 3.62Å; A277-W293 HydrophobicContact CB-CD2 4.24Å; A277-W293 HydrophobicContact CB-CG 3.66Å; P278-W293 HydrophobicContact CG-CD2 4.46Å; P278-W293 HydrophobicContact CG-CE3 4.12Å; P278-W293 HydrophobicContact CG-CH2 3.51Å; P278-W293 HydrophobicContact CG-CZ2 3.89Å; P278-W293 HydrophobicContact CG-CZ3 3.63Å; S289-W293 PolarHBondContact O-N 3.12Å; A290-W293 WeakPolarHBondContact O-CB 3.42Å; A290-W293 PolarHBondContact O-N 2.98Å; A290-W293 VanDerWaalsContact O-N 3.17Å; D291-W293 VanDerWaalsContact C-N 3.31Å; D291-W293 PolarHBondContact O-N 3.21Å; W293-F295 PolarHBondContact O-N 3.31Å; W293-G296 WeakPolarHBondContact O-CA 3.41Å; W293-G296 PolarHBondContact O-N 3.23Å; W293-V297 PolarHBondContact O-N 3.1Å; W293-F309 AromaticContact CH2-CE2 3.91Å; W293-F309 HydrophobicContact CH2-CE2 3.91Å; W293-F309 HydrophobicContact CH2-CZ 4.44Å; W293-F309 AromaticContact CZ2-CD2 3.99Å; W293-F309 HydrophobicContact CZ2-CD2 3.99Å; W293-F309 AromaticContact CZ2-CE2 3.56Å; W293-F309 HydrophobicContact CZ2-CE2 3.56Å; W293-F309 HydrophobicContact CZ2-CZ 4.49Å; W293-I321 HydrophobicContact CZ2-CG2 4.1Å; W293-F344 AromaticContact CD2-CD1 3.97Å; W293-F344 HydrophobicContact CD2-CD1 3.97Å; W293-F344 HydrophobicContact CD2-CE1 4.34Å; W293-F344 AromaticContact CE2-CD1 3.94Å; W293-F344 AromaticContact CE3-CD1 3.9Å; W293-F344 HydrophobicContact CE3-CD1 3.9Å; W293-F344 AromaticContact CH2-CD1 3.85Å; W293-F344 HydrophobicContact CH2-CD1 3.85Å; W293-F344 AromaticContact CZ2-CD1 3.9Å; W293-F344 HydrophobicContact CZ2-CD1 3.9Å; W293-F344 HydrophobicContact CZ2-CE1 4.27Å; W293-F344 HydrophobicContact CZ3-CB 4.23Å; W293-F344 AromaticContact CZ3-CD1 3.85Å; W293-F344 HydrophobicContact CZ3-CD1 3.85Å; W293-R346 HydrophobicContact CZ3-CG 4.49Å
294	S	95.8	Very high	88.7	Confident	7 Å²	7	17.9 Å²	17.9	5%	0.049	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-34	177.6	-53.2	0	0	0	0	111.9	Y275 A290 D291 G296 V297 L298	Y275-S294 PolarHBondContact O-OG 2.9Å; A290-S294 PolarHBondContact O-N 3.18Å; A290-S294 VanDerWaalsContact O-N 3.16Å; A290-S294 PolarHBondContact O-OG 3.3Å; D291-S294 PolarHBondContact O-N 3.4Å; S294-G296 VanDerWaalsContact C-N 3.33Å; S294-G296 PolarHBondContact O-N 3.44Å; S294-V297 PolarHBondContact O-N 3.39Å; S294-L298 WeakPolarHBondContact O-CB 3.46Å; S294-L298 PolarHBondContact O-N 3.39Å
295	F	97.1	Very high	88.6	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.5	-42.3	172.6	-176.4	-82.8	0	0	0	111.3	L215 L218 A219 L222 L235 D291 W292 W293 L298 M299 L343 F368	L215-F295 HydrophobicContact CB-CE1 4.29Å; L215-F295 HydrophobicContact CB-CE2 4.18Å; L215-F295 HydrophobicContact CB-CZ 3.63Å; L215-F295 HydrophobicContact CD1-CE1 4.16Å; L215-F295 HydrophobicContact CD1-CZ 4.31Å; L215-F295 HydrophobicContact CD2-CD1 4.41Å; L215-F295 HydrophobicContact CD2-CD2 4.22Å; L215-F295 HydrophobicContact CD2-CE1 4.06Å; L215-F295 HydrophobicContact CD2-CE2 3.86Å; L215-F295 HydrophobicContact CD2-CG 4.5Å; L215-F295 HydrophobicContact CD2-CZ 3.79Å; L215-F295 HydrophobicContact CG-CE1 4.41Å; L215-F295 HydrophobicContact CG-CZ 4.11Å; L215-F295 VanDerWaalsContact O-CE2 3.29Å; L215-F295 WeakPolarHBondContact O-CE2 3.28Å; L215-F295 WeakPolarHBondContact O-CZ 3.03Å; L218-F295 HydrophobicContact CB-CE2 4.16Å; L218-F295 HydrophobicContact CD2-CD2 3.69Å; L218-F295 HydrophobicContact CD2-CE2 3.94Å; L218-F295 HydrophobicContact CG-CD2 4.12Å; L218-F295 HydrophobicContact CG-CE2 4.16Å; A219-F295 HydrophobicContact CB-CE2 4.09Å; A219-F295 HydrophobicContact CB-CZ 4.28Å; L222-F295 HydrophobicContact CD1-CD2 3.94Å; L235-F295 HydrophobicContact CD2-CB 4.01Å; D291-F295 WeakPolarHBondContact O-CB 3.31Å; D291-F295 PolarHBondContact O-N 3.48Å; W292-F295 HydrophobicContact CE3-CB 4.14Å; W292-F295 HydrophobicContact CE3-CD2 4.23Å; W292-F295 HydrophobicContact CE3-CG 4.1Å; W292-F295 HydrophobicContact CZ3-CD2 4.06Å; W292-F295 HydrophobicContact CZ3-CE2 4.27Å; W292-F295 HydrophobicContact CZ3-CG 4.36Å; W293-F295 PolarHBondContact O-N 3.31Å; F295-L298 PolarHBondContact O-N 3.26Å; F295-M299 WeakPolarHBondContact O-CB 3.39Å; F295-M299 PolarHBondContact O-N 2.72Å; F295-L343 HydrophobicContact CD1-CD1 3.88Å; F295-L343 HydrophobicContact CD1-CD2 4.38Å; F295-L343 HydrophobicContact CE1-CD1 4.28Å; F295-F368 HydrophobicContact CE1-CZ 4.43Å; F295-F368 HydrophobicContact CZ-CZ 4.18Å
296	G	96.5	Very high	88.4	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-38.1	172.9	0	0	0	0	0	113.6	W292 W293 S294 M299 F300 F344	W292-G296 PolarHBondContact O-N 2.92Å; W292-G296 VanDerWaalsContact O-N 3.15Å; W293-G296 WeakPolarHBondContact O-CA 3.41Å; W293-G296 PolarHBondContact O-N 3.23Å; S294-G296 VanDerWaalsContact C-N 3.33Å; S294-G296 PolarHBondContact O-N 3.44Å; G296-M299 PolarHBondContact O-N 3.06Å; G296-F300 WeakPolarHBondContact O-CB 3.26Å; G296-F300 PolarHBondContact O-N 2.81Å; G296-F344 WeakPolarHBondContact O-CZ 3.4Å
297	V	94.3	Very high	88.5	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-47.6	173.6	178.2	0	0	0	0	110.6	Y275 W293 S294 F300 E301 L307 P308 F344	Y275-V297 HydrophobicContact CD1-CB 3.85Å; Y275-V297 HydrophobicContact CD1-CG1 3.38Å; Y275-V297 HydrophobicContact CE1-CB 4.43Å; Y275-V297 HydrophobicContact CE1-CG1 3.67Å; Y275-V297 HydrophobicContact CG-CG1 3.96Å; W293-V297 PolarHBondContact O-N 3.1Å; S294-V297 PolarHBondContact O-N 3.39Å; V297-F300 PolarHBondContact O-N 2.89Å; V297-E301 PolarHBondContact O-N 2.82Å; V297-L307 HydrophobicContact CG1-CD2 3.81Å; V297-P308 HydrophobicContact CB-CG 4.4Å; V297-P308 HydrophobicContact CG1-CG 4.09Å; V297-P308 HydrophobicContact CG2-CG 4.14Å; V297-F344 HydrophobicContact CG2-CE1 3.73Å; V297-F344 HydrophobicContact CG2-CZ 4.13Å
298	L	91.6	Very high	88.5	Confident	1 Å²	1	12.1 Å²	12.1	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-47.5	177	179	67.2	0	0	0	111.3	L215 L218 L235 P237 I240 S294 F295 F300 E301 M302	L215-L298 HydrophobicContact CD2-CD2 4.32Å; L218-L298 HydrophobicContact CD2-CD2 3.41Å; L218-L298 VanDerWaalsContact CD2-CD2 3.41Å; L235-L298 HydrophobicContact CD1-CD2 4.48Å; L235-L298 HydrophobicContact CG-CD2 4.37Å; P237-L298 HydrophobicContact CB-CD1 4.23Å; P237-L298 HydrophobicContact CG-CD1 3.58Å; I240-L298 HydrophobicContact CD1-CD1 4.36Å; I240-L298 HydrophobicContact CD1-CD2 3.41Å; I240-L298 VanDerWaalsContact CD1-CD2 3.41Å; S294-L298 WeakPolarHBondContact O-CB 3.46Å; S294-L298 PolarHBondContact O-N 3.39Å; F295-L298 PolarHBondContact O-N 3.26Å; L298-F300 VanDerWaalsContact C-N 3.32Å; L298-F300 PolarHBondContact O-N 3.13Å; L298-E301 PolarHBondContact O-N 3.05Å; L298-M302 HydrophobicContact CD1-CG 4.14Å; L298-M302 HydrophobicContact CD1-SD 4.13Å; L298-M302 HydrophobicContact CD2-SD 4.43Å; L298-M302 HydrophobicContact CG-CG 4.32Å; L298-M302 HydrophobicContact CG-SD 3.91Å; L298-M302 VanDerWaalsContact O-CG 3.26Å; L298-M302 WeakPolarHBondContact O-CG 3.33Å; L298-M302 PolarHBondContact O-N 3.23Å
299	M	92.9	Very high	88.6	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-53.9	-49.2	174.8	178.3	179.2	-175.8	0	0	111.4	V211 L215 F295 G296 E301 M302 L303 V336 L339 L340 L343 F367	V211-M299 HydrophobicContact CG1-CG 4.35Å; L215-M299 HydrophobicContact CD1-CB 3.53Å; L215-M299 HydrophobicContact CD1-CG 3.48Å; L215-M299 VanDerWaalsContact CD1-CG 3.48Å; L215-M299 HydrophobicContact CD1-SD 3.95Å; L215-M299 HydrophobicContact CD2-CB 4.41Å; F295-M299 WeakPolarHBondContact O-CB 3.39Å; F295-M299 PolarHBondContact O-N 2.72Å; G296-M299 PolarHBondContact O-N 3.06Å; M299-E301 PolarHBondContact O-N 3.4Å; M299-M302 PolarHBondContact O-N 3.29Å; M299-L303 HydrophobicContact CE-CD1 3.83Å; M299-L303 HydrophobicContact CG-CD1 3.73Å; M299-L303 WeakPolarHBondContact O-CB 3.42Å; M299-L303 WeakPolarHBondContact O-CD1 3.49Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 3.26Å; M299-V336 HydrophobicContact CE-CB 4.16Å; M299-V336 HydrophobicContact CE-CG1 3.86Å; M299-V336 HydrophobicContact CE-CG2 3.83Å; M299-L339 HydrophobicContact CE-CB 4.24Å; M299-L339 HydrophobicContact CE-CD2 3.76Å; M299-L339 HydrophobicContact CE-CG 4.21Å; M299-L339 HydrophobicContact SD-CB 4.47Å; M299-L339 HydrophobicContact SD-CD2 3.73Å; M299-L339 HydrophobicContact SD-CG 3.95Å; M299-L340 HydrophobicContact CB-CD2 4.17Å; M299-L340 HydrophobicContact CE-CD2 4.43Å; M299-L340 HydrophobicContact CE-CG 4.26Å; M299-L340 HydrophobicContact CG-CD2 3.84Å; M299-L340 HydrophobicContact SD-CD2 3.67Å; M299-L340 HydrophobicContact SD-CG 4.05Å; M299-L343 HydrophobicContact SD-CD1 4.27Å; M299-F367 HydrophobicContact CE-CD1 4.4Å; M299-F367 HydrophobicContact CE-CE1 4.08Å; M299-F367 HydrophobicContact CE-CE2 4.35Å; M299-F367 HydrophobicContact CE-CZ 4.06Å
300	F	88.3	Confident	88.4	Confident	12 Å²	12	13.7 Å²	13.7	5%	0.053	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-41.7	179.5	-172.3	-80.7	0	0	0	112	G296 V297 L298 L303 T304 S306 P308 L326 P329 L340 F344	G296-F300 WeakPolarHBondContact O-CB 3.26Å; G296-F300 PolarHBondContact O-N 2.81Å; V297-F300 PolarHBondContact O-N 2.89Å; L298-F300 VanDerWaalsContact C-N 3.32Å; L298-F300 PolarHBondContact O-N 3.13Å; F300-L303 PolarHBondContact O-N 2.76Å; F300-T304 HydrophobicContact CD1-CG2 4.12Å; F300-T304 WeakPolarHBondContact CD1-OG1 3.47Å; F300-T304 HydrophobicContact CD2-CG2 4.42Å; F300-T304 HydrophobicContact CE1-CG2 3.88Å; F300-T304 VanDerWaalsContact CE1-OG1 3.22Å; F300-T304 WeakPolarHBondContact CE1-OG1 3.36Å; F300-T304 HydrophobicContact CE2-CG2 4.2Å; F300-T304 HydrophobicContact CG-CG2 4.38Å; F300-T304 HydrophobicContact CZ-CG2 3.92Å; F300-T304 WeakPolarHBondContact O-CB 3.42Å; F300-T304 WeakPolarHBondContact O-CG2 3.12Å; F300-T304 PolarHBondContact O-N 3.39Å; F300-T304 PolarHBondContact O-OG1 2.91Å; F300-S306 WeakPolarHBondContact CD1-O 3.2Å; F300-S306 WeakPolarHBondContact CE1-O 3.3Å; F300-P308 HydrophobicContact CB-CB 4.4Å; F300-P308 HydrophobicContact CB-CG 4.32Å; F300-P308 HydrophobicContact CD1-CB 3.71Å; F300-P308 HydrophobicContact CD1-CG 4.12Å; F300-P308 HydrophobicContact CD2-CB 4.14Å; F300-P308 HydrophobicContact CE1-CB 3.95Å; F300-P308 HydrophobicContact CE2-CB 4.35Å; F300-P308 HydrophobicContact CG-CB 3.82Å; F300-P308 HydrophobicContact CG-CG 4.22Å; F300-P308 HydrophobicContact CZ-CB 4.27Å; F300-L326 HydrophobicContact CD2-CD1 4.18Å; F300-L326 HydrophobicContact CE2-CD1 3.99Å; F300-P329 HydrophobicContact CE2-CG 4.1Å; F300-P329 HydrophobicContact CZ-CG 4.23Å; F300-L340 HydrophobicContact CB-CD2 4.18Å; F300-L340 HydrophobicContact CD2-CD1 4.16Å; F300-F344 HydrophobicContact CB-CE2 4.39Å; F300-F344 HydrophobicContact CB-CZ 4.42Å
301	E	85.6	Confident	87.9	Confident	11 Å²	11	14.3 Å²	14.3	5%	0.051	9%	0.089	C	C	.	.	H	α-helix	trans	-66.7	-42.3	178.1	-172.6	179.8	-152.9	0	0	111.8	P237 Y275 V297 L298 M299 L303 T304 G305 S306 R776	P237-E301 VanDerWaalsContact CG-OE2 3.29Å; P237-E301 WeakPolarHBondContact CG-OE2 3.16Å; Y275-E301 VanDerWaalsContact OH-CD 3.22Å; Y275-E301 PolarHBondContact OH-OE1 3.27Å; Y275-E301 PolarHBondContact OH-OE2 3.4Å; V297-E301 PolarHBondContact O-N 2.82Å; L298-E301 PolarHBondContact O-N 3.05Å; M299-E301 PolarHBondContact O-N 3.4Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.02Å; E301-T304 PolarHBondContact O-N 3.21Å; E301-G305 VanDerWaalsContact O-CA 3.23Å; E301-G305 WeakPolarHBondContact O-CA 3.27Å; E301-G305 PolarHBondContact O-N 3.01Å; E301-S306 WeakPolarHBondContact CA-O 3.49Å; E301-R776 IonicContact OE1-NH1 3.22Å; E301-R776 IonicContact OE1-NH2 2.82Å
302	M	80.8	Confident	87.2	Confident	7 Å²	7	23.9 Å²	23.9	3%	0.034	13%	0.13	C	C	.	.	H	α-helix	trans	-64.3	-32.8	177	-66.3	177.5	72.7	0	0	112.4	L196 L200 V211 Y214 L298 M299	L196-M302 HydrophobicContact CD2-CE 4.04Å; L196-M302 HydrophobicContact CD2-SD 4.23Å; L200-M302 HydrophobicContact CD1-CG 4.24Å; L200-M302 HydrophobicContact CD2-CB 4.28Å; L200-M302 HydrophobicContact CD2-CG 4.04Å; V211-M302 HydrophobicContact CG1-CB 4.31Å; V211-M302 HydrophobicContact CG2-CB 3.72Å; V211-M302 HydrophobicContact CG2-CE 4.25Å; Y214-M302 HydrophobicContact CD2-CE 3.98Å; Y214-M302 HydrophobicContact CG-CE 4.44Å; L298-M302 HydrophobicContact CD1-CG 4.14Å; L298-M302 HydrophobicContact CD1-SD 4.13Å; L298-M302 HydrophobicContact CD2-SD 4.43Å; L298-M302 HydrophobicContact CG-CG 4.32Å; L298-M302 HydrophobicContact CG-SD 3.91Å; L298-M302 VanDerWaalsContact O-CG 3.26Å; L298-M302 WeakPolarHBondContact O-CG 3.33Å; L298-M302 PolarHBondContact O-N 3.23Å; M299-M302 PolarHBondContact O-N 3.29Å
303	L	78.7	Confident	86.7	Confident	15 Å²	15	28.2 Å²	28.2	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-85	-26.8	-178.9	-70.8	169.7	0	0	0	114.5	E208 V211 M299 F300 E301 L332 V336	E208-L303 HydrophobicContact CB-CD2 4.44Å; E208-L303 HydrophobicContact CG-CD2 3.7Å; V211-L303 HydrophobicContact CB-CD2 3.99Å; V211-L303 HydrophobicContact CB-CG 4.41Å; V211-L303 HydrophobicContact CG1-CD2 4.16Å; V211-L303 HydrophobicContact CG1-CG 4.08Å; V211-L303 HydrophobicContact CG2-CD2 3.72Å; V211-L303 HydrophobicContact CG2-CG 4.1Å; M299-L303 HydrophobicContact CE-CD1 3.83Å; M299-L303 HydrophobicContact CG-CD1 3.73Å; M299-L303 WeakPolarHBondContact O-CB 3.42Å; M299-L303 WeakPolarHBondContact O-CD1 3.49Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 3.26Å; F300-L303 PolarHBondContact O-N 2.76Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.02Å; L303-L332 HydrophobicContact CB-CD2 4.06Å; L303-L332 HydrophobicContact CD1-CD2 4.35Å; L303-V336 HydrophobicContact CD1-CG1 3.57Å; L303-V336 HydrophobicContact CD1-CG2 4.31Å
304	T	72.7	Confident	86.2	Confident	13 Å²	13	37.1 Å²	37.1	8%	0.08	19%	0.187	C	C	.	.	H	α-helix	trans	-120	-12.3	-171.9	71.7	0	0	0	0	113.9	F300 E301 S306 P329 F331	F300-T304 HydrophobicContact CD1-CG2 4.12Å; F300-T304 WeakPolarHBondContact CD1-OG1 3.47Å; F300-T304 HydrophobicContact CD2-CG2 4.42Å; F300-T304 HydrophobicContact CE1-CG2 3.88Å; F300-T304 VanDerWaalsContact CE1-OG1 3.22Å; F300-T304 WeakPolarHBondContact CE1-OG1 3.36Å; F300-T304 HydrophobicContact CE2-CG2 4.2Å; F300-T304 HydrophobicContact CG-CG2 4.38Å; F300-T304 HydrophobicContact CZ-CG2 3.92Å; F300-T304 WeakPolarHBondContact O-CB 3.42Å; F300-T304 WeakPolarHBondContact O-CG2 3.12Å; F300-T304 PolarHBondContact O-N 3.39Å; F300-T304 PolarHBondContact O-OG1 2.91Å; E301-T304 PolarHBondContact O-N 3.21Å; T304-S306 PolarHBondContact O-N 3.34Å; T304-S306 PolarHBondContact OG1-N 3.45Å; T304-S306 VanDerWaalsContact OG1-N 3.16Å; T304-S306 PolarHBondContact OG1-O 3.15Å; T304-S306 VanDerWaalsContact OG1-O 3.05Å; T304-S306 PolarHBondContact OG1-OG 3.22Å; T304-P329 HydrophobicContact CG2-CG 3.87Å; T304-F331 HydrophobicContact CG2-CZ 4.08Å
305	G	72.6	Confident	85.9	Confident	24 Å²	24	45 Å²	45	25%	0.247	22%	0.221	C	C	.	.	S	Bend	trans	67.7	5.3	-170.4	0	0	0	0	0	114.7	E301 C625	E301-G305 VanDerWaalsContact O-CA 3.23Å; E301-G305 WeakPolarHBondContact O-CA 3.27Å; E301-G305 PolarHBondContact O-N 3.01Å; G305-C625 WeakPolarHBondContact CA-SG 3.47Å
306	S	75.4	Confident	85.7	Confident	56 Å²	56	48.8 Å²	48.8	39%	0.392	24%	0.238	S	C	.	.	S	Bend	trans	-131.4	153.7	-174.9	70	0	0	0	0	111.2	F300 E301 T304	F300-S306 WeakPolarHBondContact CD1-O 3.2Å; F300-S306 WeakPolarHBondContact CE1-O 3.3Å; E301-S306 WeakPolarHBondContact CA-O 3.49Å; T304-S306 PolarHBondContact O-N 3.34Å; T304-S306 PolarHBondContact OG1-N 3.45Å; T304-S306 VanDerWaalsContact OG1-N 3.16Å; T304-S306 PolarHBondContact OG1-O 3.15Å; T304-S306 VanDerWaalsContact OG1-O 3.05Å; T304-S306 PolarHBondContact OG1-OG 3.22Å
307	L	84.9	Confident	85.4	Confident	16 Å²	16	49 Å²	49	8%	0.084	24%	0.239	C	C	.	.			trans	-80	140.9	175.8	-72.8	164.2	0	0	0	110.4	E274 Y275 V297 F309 Q310	E274-L307 HydrophobicContact CB-CD1 3.75Å; E274-L307 HydrophobicContact CB-CD2 4.32Å; E274-L307 HydrophobicContact CG-CD1 3.8Å; Y275-L307 HydrophobicContact CE1-CD2 4.29Å; Y275-L307 HydrophobicContact CE2-CD2 4.19Å; V297-L307 HydrophobicContact CG1-CD2 3.81Å; L307-F309 VanDerWaalsContact C-N 3.27Å; L307-F309 PolarHBondContact O-N 3.33Å; L307-Q310 HydrophobicContact CB-CB 4.13Å; L307-Q310 HydrophobicContact CD1-CG 4.5Å
308	P	87.8	Confident	85.2	Confident	22 Å²	22	51.2 Å²	51.2	14%	0.143	25%	0.25	C	S	.	.	S	Bend	trans	-67.1	-28.6	-178.5	26.9	-34.2	0	0	0	112.9	V297 F300 L326 F344	V297-P308 HydrophobicContact CB-CG 4.4Å; V297-P308 HydrophobicContact CG1-CG 4.09Å; V297-P308 HydrophobicContact CG2-CG 4.14Å; F300-P308 HydrophobicContact CB-CB 4.4Å; F300-P308 HydrophobicContact CB-CG 4.32Å; F300-P308 HydrophobicContact CD1-CB 3.71Å; F300-P308 HydrophobicContact CD1-CG 4.12Å; F300-P308 HydrophobicContact CD2-CB 4.14Å; F300-P308 HydrophobicContact CE1-CB 3.95Å; F300-P308 HydrophobicContact CE2-CB 4.35Å; F300-P308 HydrophobicContact CG-CB 3.82Å; F300-P308 HydrophobicContact CG-CG 4.22Å; F300-P308 HydrophobicContact CZ-CB 4.27Å; P308-L326 HydrophobicContact CB-CD1 3.73Å; P308-F344 HydrophobicContact CB-CZ 4.16Å; P308-F344 HydrophobicContact CG-CE1 4.34Å; P308-F344 HydrophobicContact CG-CZ 3.82Å
309	F	91.9	Very high	85.3	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	27%	0.269	C	S	.	.	S	Bend	trans	-136.6	103.2	179.2	-51.6	-68.5	0	0	0	109.4	W293 L307 L320 I321 A324 L326 F344	W293-F309 AromaticContact CH2-CE2 3.91Å; W293-F309 HydrophobicContact CH2-CE2 3.91Å; W293-F309 HydrophobicContact CH2-CZ 4.44Å; W293-F309 AromaticContact CZ2-CD2 3.99Å; W293-F309 HydrophobicContact CZ2-CD2 3.99Å; W293-F309 AromaticContact CZ2-CE2 3.56Å; W293-F309 HydrophobicContact CZ2-CE2 3.56Å; W293-F309 HydrophobicContact CZ2-CZ 4.49Å; L307-F309 VanDerWaalsContact C-N 3.27Å; L307-F309 PolarHBondContact O-N 3.33Å; F309-L320 HydrophobicContact CB-CB 4.15Å; F309-L320 HydrophobicContact CD1-CB 4.47Å; F309-I321 HydrophobicContact CB-CG1 3.8Å; F309-I321 HydrophobicContact CD2-CG1 4.36Å; F309-I321 HydrophobicContact CG-CG1 4.29Å; F309-A324 HydrophobicContact CD1-CB 4.09Å; F309-A324 HydrophobicContact CE1-CB 4.16Å; F309-L326 HydrophobicContact CZ-CB 4.38Å; F309-L326 HydrophobicContact CZ-CD1 4.16Å; F309-F344 HydrophobicContact CE2-CD1 4.1Å; F309-F344 HydrophobicContact CE2-CE1 4.14Å
310	Q	87.8	Confident	85.2	Confident	92 Å²	92	56 Å²	56	43%	0.43	28%	0.282	S	S	.	.			trans	-145.1	126.4	176.9	-170.8	177	5.4	0	0	110.4	L307 L320	L307-Q310 HydrophobicContact CB-CB 4.13Å; L307-Q310 HydrophobicContact CD1-CG 4.5Å; Q310-L320 VanDerWaalsContact C-CD1 3.49Å; Q310-L320 WeakPolarHBondContact O-CD1 3.49Å
311	G	82.1	Confident	85.5	Confident	18 Å²	18	55.4 Å²	55.4	19%	0.186	28%	0.28	C	S	.	.			trans	-107.4	178.5	175.1	0	0	0	0	0	112	D313 T317	G311-D313 PolarHBondContact O-N 3.18Å; G311-T317 PolarHBondContact N-OG1 2.99Å
312	K	81.7	Confident	85.8	Confident	201 Å²	201	57.1 Å²	57.1	87%	0.874	29%	0.289	S	S	*	.	S	Bend	trans	-65.7	-29.2	175.9	-60.8	176.6	-177.9	177.8	0	111.9	E316	K312-E316 VanDerWaalsContact CB-OE2 3.3Å; K312-E316 WeakPolarHBondContact CB-OE2 3.31Å; K312-E316 WeakPolarHBondContact CG-OE2 3.21Å; K312-E316 PolarHBondContact N-OE2 3.41Å
313	D	85.6	Confident	86.3	Confident	91 Å²	91	65.2 Å²	65.2	49%	0.487	32%	0.324	S	S	.	.	S	Bend	trans	-137.4	176.5	177.3	70.4	46.7	0	0	0	113.1	G311 K315 E316 T317	G311-D313 PolarHBondContact O-N 3.18Å; D313-K315 VanDerWaalsContact C-N 3.33Å; D313-K315 PolarHBondContact O-N 2.95Å; D313-K315 WeakPolarHBondContact OD1-CA 3.49Å; D313-K315 WeakPolarHBondContact OD1-CB 3.34Å; D313-K315 PolarHBondContact OD1-N 3.48Å; D313-E316 PolarHBondContact OD1-N 3.3Å; D313-T317 WeakPolarHBondContact O-CB 3.46Å; D313-T317 PolarHBondContact O-N 3.08Å; D313-T317 PolarHBondContact O-OG1 2.9Å
314	R	86.1	Confident	86.9	Confident	187 Å²	187	65.7 Å²	65.7	71%	0.706	33%	0.33	S	S	*	.	H	α-helix	trans	-62.1	-37.9	-179.3	-70.6	-173.3	-71.2	-169	-3.3	112.6	I273 M318	I273-R314 HydrophobicContact CD1-CB 4.08Å; I273-R314 HydrophobicContact CD1-CG 3.73Å; R314-M318 HydrophobicContact CB-CE 4.4Å; R314-M318 WeakPolarHBondContact O-CG 3.45Å; R314-M318 PolarHBondContact O-N 2.79Å
315	K	89.5	Confident	87.6	Confident	174 Å²	174	74.5 Å²	74.5	76%	0.757	37%	0.367	S	S	*	.	H	α-helix	trans	-71.8	-42.5	-176.4	-174.9	-177.6	177.9	-175.5	0	110.4	D313 M318 A319	D313-K315 VanDerWaalsContact C-N 3.33Å; D313-K315 PolarHBondContact O-N 2.95Å; D313-K315 WeakPolarHBondContact OD1-CA 3.49Å; D313-K315 WeakPolarHBondContact OD1-CB 3.34Å; D313-K315 PolarHBondContact OD1-N 3.48Å; K315-M318 PolarHBondContact O-N 3.35Å; K315-A319 PolarHBondContact O-N 3.27Å
316	E	92.2	Very high	88.4	Confident	78 Å²	78	75.1 Å²	75.1	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-45.1	174.3	-171	177.8	-165.4	0	0	110.9	K312 D313 M318 A319 L320	K312-E316 VanDerWaalsContact CB-OE2 3.3Å; K312-E316 WeakPolarHBondContact CB-OE2 3.31Å; K312-E316 WeakPolarHBondContact CG-OE2 3.21Å; K312-E316 PolarHBondContact N-OE2 3.41Å; D313-E316 PolarHBondContact OD1-N 3.3Å; E316-M318 PolarHBondContact O-N 3.24Å; E316-A319 WeakPolarHBondContact O-CA 3.41Å; E316-A319 WeakPolarHBondContact O-CB 3.47Å; E316-A319 PolarHBondContact O-N 3.13Å; E316-L320 HydrophobicContact CG-CD1 4.47Å; E316-L320 WeakPolarHBondContact O-CG 3.28Å; E316-L320 PolarHBondContact O-N 3.44Å
317	T	90.3	Very high	88.8	Confident	4 Å²	4	75.1 Å²	75.1	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-46.5	176.5	-58.3	0	0	0	0	111.5	I273 E274 G311 D313 A319 L320 I321	I273-T317 HydrophobicContact CG2-CG2 3.99Å; E274-T317 HydrophobicContact CG-CG2 4.29Å; G311-T317 PolarHBondContact N-OG1 2.99Å; D313-T317 WeakPolarHBondContact O-CB 3.46Å; D313-T317 PolarHBondContact O-N 3.08Å; D313-T317 PolarHBondContact O-OG1 2.9Å; T317-A319 VanDerWaalsContact C-N 3.32Å; T317-A319 PolarHBondContact O-N 3.46Å; T317-L320 PolarHBondContact O-N 2.88Å; T317-I321 HydrophobicContact CG2-CD1 4.15Å; T317-I321 WeakPolarHBondContact O-CG1 3.22Å; T317-I321 PolarHBondContact O-N 3.33Å
318	M	90.8	Very high	88.8	Confident	48 Å²	48	76.4 Å²	76.4	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-59.7	-41.9	174.1	-71.3	177.1	-160.4	0	0	111.9	F269 I273 V281 R314 K315 E316 L320 I321 L322	F269-M318 HydrophobicContact CZ-CE 3.81Å; I273-M318 HydrophobicContact CD1-CE 3.58Å; I273-M318 HydrophobicContact CG1-CE 4.09Å; I273-M318 HydrophobicContact CG2-CE 4.22Å; I273-M318 HydrophobicContact CG2-CG 3.97Å; V281-M318 HydrophobicContact CG1-CB 3.83Å; V281-M318 HydrophobicContact CG1-CG 3.85Å; V281-M318 HydrophobicContact CG1-SD 4.4Å; R314-M318 HydrophobicContact CB-CE 4.4Å; R314-M318 WeakPolarHBondContact O-CG 3.45Å; R314-M318 PolarHBondContact O-N 2.79Å; K315-M318 PolarHBondContact O-N 3.35Å; E316-M318 PolarHBondContact O-N 3.24Å; M318-L320 VanDerWaalsContact C-N 3.34Å; M318-L320 PolarHBondContact O-N 3.49Å; M318-I321 PolarHBondContact O-N 3.2Å; M318-L322 VanDerWaalsContact O-CG 3.24Å; M318-L322 WeakPolarHBondContact O-CG 3.25Å; M318-L322 PolarHBondContact O-N 3.46Å; M318-L322 VanDerWaalsContact O-N 3.09Å
319	A	92.8	Very high	88.4	Confident	48 Å²	48	76.4 Å²	76.4	40%	0.397	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-39.9	177.4	0	0	0	0	0	112.1	K315 E316 T317 L322 K323	K315-A319 PolarHBondContact O-N 3.27Å; E316-A319 WeakPolarHBondContact O-CA 3.41Å; E316-A319 WeakPolarHBondContact O-CB 3.47Å; E316-A319 PolarHBondContact O-N 3.13Å; T317-A319 VanDerWaalsContact C-N 3.32Å; T317-A319 PolarHBondContact O-N 3.46Å; A319-L322 PolarHBondContact O-N 2.7Å; A319-K323 WeakPolarHBondContact O-CB 3.31Å; A319-K323 PolarHBondContact O-N 3.43Å
320	L	92.4	Very high	87.6	Confident	53 Å²	53	85.1 Å²	85.1	28%	0.277	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-48.6	176	-68.3	172.2	0	0	0	111.5	F309 Q310 E316 T317 M318 L322 K323 A324	F309-L320 HydrophobicContact CB-CB 4.15Å; F309-L320 HydrophobicContact CD1-CB 4.47Å; Q310-L320 VanDerWaalsContact C-CD1 3.49Å; Q310-L320 WeakPolarHBondContact O-CD1 3.49Å; E316-L320 HydrophobicContact CG-CD1 4.47Å; E316-L320 WeakPolarHBondContact O-CG 3.28Å; E316-L320 PolarHBondContact O-N 3.44Å; T317-L320 PolarHBondContact O-N 2.88Å; M318-L320 VanDerWaalsContact C-N 3.34Å; M318-L320 PolarHBondContact O-N 3.49Å; L320-L322 PolarHBondContact O-N 2.76Å; L320-K323 PolarHBondContact O-N 2.9Å; L320-A324 HydrophobicContact CB-CB 4.13Å; L320-A324 HydrophobicContact CD2-CB 3.78Å; L320-A324 WeakPolarHBondContact O-CB 3.37Å; L320-A324 PolarHBondContact O-N 2.89Å
321	I	93.1	Very high	86.9	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-53.4	-45.4	175.6	-68.2	166.3	0	0	0	110.3	I273 P278 V281 W293 F309 T317 M318 R346	I273-I321 HydrophobicContact CG2-CD1 4.35Å; I273-I321 WeakPolarHBondContact O-CD1 3.38Å; P278-I321 HydrophobicContact CB-CG2 4.45Å; P278-I321 HydrophobicContact CG-CG2 4.03Å; V281-I321 HydrophobicContact CG2-CD1 4.29Å; V281-I321 HydrophobicContact CG2-CG2 4.07Å; W293-I321 HydrophobicContact CZ2-CG2 4.1Å; F309-I321 HydrophobicContact CB-CG1 3.8Å; F309-I321 HydrophobicContact CD2-CG1 4.36Å; F309-I321 HydrophobicContact CG-CG1 4.29Å; T317-I321 HydrophobicContact CG2-CD1 4.15Å; T317-I321 WeakPolarHBondContact O-CG1 3.22Å; T317-I321 PolarHBondContact O-N 3.33Å; M318-I321 PolarHBondContact O-N 3.2Å; I321-R346 PolarHBondContact O-NH2 2.97Å
322	L	92.3	Very high	86.7	Confident	46 Å²	46	83.9 Å²	83.9	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-72.1	-36.4	-177.1	-67.5	179.3	0	0	0	114	P278 V281 N282 M318 A319 L320 R346	P278-L322 HydrophobicContact CB-CD2 4.01Å; V281-L322 HydrophobicContact CB-CD2 4.23Å; V281-L322 HydrophobicContact CG1-CD1 4.07Å; V281-L322 HydrophobicContact CG1-CD2 4.16Å; V281-L322 HydrophobicContact CG1-CG 4.05Å; N282-L322 VanDerWaalsContact CG-CD2 3.49Å; N282-L322 VanDerWaalsContact ND2-CD2 3.27Å; N282-L322 WeakPolarHBondContact ND2-CD2 3.35Å; N282-L322 WeakPolarHBondContact OD1-CD1 3.39Å; N282-L322 WeakPolarHBondContact OD1-CD2 3.32Å; M318-L322 VanDerWaalsContact O-CG 3.24Å; M318-L322 WeakPolarHBondContact O-CG 3.25Å; M318-L322 PolarHBondContact O-N 3.46Å; M318-L322 VanDerWaalsContact O-N 3.09Å; A319-L322 PolarHBondContact O-N 2.7Å; L320-L322 PolarHBondContact O-N 2.76Å; L322-R346 PolarHBondContact O-NE 2.78Å
323	K	91.8	Very high	86.9	Confident	178 Å²	178	75.3 Å²	75.3	77%	0.774	37%	0.374	S	S	*	.	H	α-helix	trans	-126.4	-26.4	-165	-61.2	-177.2	-179.6	-179.1	0	115.8	A319 L320	A319-K323 WeakPolarHBondContact O-CB 3.31Å; A319-K323 PolarHBondContact O-N 3.43Å; L320-K323 PolarHBondContact O-N 2.9Å
324	A	90.9	Very high	87	Confident	25 Å²	25	75.3 Å²	75.3	21%	0.207	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-68.8	141.9	-172	0	0	0	0	0	112.5	F309 L320 R346	F309-A324 HydrophobicContact CD1-CB 4.09Å; F309-A324 HydrophobicContact CE1-CB 4.16Å; L320-A324 HydrophobicContact CB-CB 4.13Å; L320-A324 HydrophobicContact CD2-CB 3.78Å; L320-A324 WeakPolarHBondContact O-CB 3.37Å; L320-A324 PolarHBondContact O-N 2.89Å; A324-R346 VanDerWaalsContact O-CZ 3.25Å; A324-R346 PolarHBondContact O-NH1 2.9Å; A324-R346 PolarHBondContact O-NH2 3.4Å
325	K	88.3	Confident	87.3	Confident	197 Å²	197	68.7 Å²	68.7	86%	0.857	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-72.2	140.2	167.3	-67.8	-177.5	-179.8	178.1	0	108.4	G327	K325-G327 PolarHBondContact O-N 2.69Å
326	L	88.6	Confident	87.4	Confident	37 Å²	37	60.4 Å²	60.4	19%	0.194	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.9	118.7	173	178.6	71.6	0	0	0	108.1	F300 P308 F309 M328 L340 F344	F300-L326 HydrophobicContact CD2-CD1 4.18Å; F300-L326 HydrophobicContact CE2-CD1 3.99Å; P308-L326 HydrophobicContact CB-CD1 3.73Å; F309-L326 HydrophobicContact CZ-CB 4.38Å; F309-L326 HydrophobicContact CZ-CD1 4.16Å; L326-M328 HydrophobicContact CD2-CE 3.66Å; L326-M328 PolarHBondContact O-N 2.68Å; L326-M328 VanDerWaalsContact O-N 3.16Å; L326-L340 HydrophobicContact CD2-CB 4.41Å; L326-F344 HydrophobicContact CD1-CD2 3.98Å; L326-F344 HydrophobicContact CD1-CE2 3.93Å; L326-F344 HydrophobicContact CD2-CB 4.47Å; L326-F344 HydrophobicContact CD2-CD2 3.47Å; L326-F344 VanDerWaalsContact CD2-CD2 3.47Å; L326-F344 HydrophobicContact CD2-CE2 4.06Å; L326-F344 HydrophobicContact CD2-CG 4.32Å; L326-F344 HydrophobicContact CG-CD2 4.31Å
327	G	84.6	Confident	87.4	Confident	57 Å²	57	58.3 Å²	58.3	59%	0.588	31%	0.311	S	S	*	.			trans	-71.9	103.2	169.5	0	0	0	0	0	108.6	K325 P329	K325-G327 PolarHBondContact O-N 2.69Å; G327-P329 VanDerWaalsContact O-CD 3.32Å; G327-P329 WeakPolarHBondContact O-CD 3.45Å
328	M	85.3	Confident	87.7	Confident	43 Å²	43	60.7 Å²	60.7	21%	0.212	33%	0.327	C	S	.	.			trans	-80.8	118.1	-179.5	-168.7	62.8	73.2	0	0	109.8	L326 Q330 L332 Q337 L340 R341	L326-M328 HydrophobicContact CD2-CE 3.66Å; L326-M328 PolarHBondContact O-N 2.68Å; L326-M328 VanDerWaalsContact O-N 3.16Å; M328-Q330 PolarHBondContact O-N 2.87Å; M328-L332 HydrophobicContact SD-CD1 4.45Å; M328-Q337 HydrophobicContact CE-CB 4.09Å; M328-Q337 WeakPolarHBondContact CE-O 3.42Å; M328-Q337 HydrophobicContact CG-CB 4.06Å; M328-Q337 HydrophobicContact CG-CG 3.61Å; M328-Q337 HydrophobicContact SD-CB 3.88Å; M328-Q337 HydrophobicContact SD-CG 3.7Å; M328-L340 HydrophobicContact CE-CB 3.99Å; M328-L340 HydrophobicContact SD-CD1 4.07Å; M328-R341 HydrophobicContact CE-CG 3.74Å
329	P	77.6	Confident	88	Confident	22 Å²	22	58.4 Å²	58.4	14%	0.143	32%	0.316	C	S	.	.			trans	-68.3	131.1	176.1	-11.4	25.5	0	0	0	110.6	F300 T304 G327 F331 L332	F300-P329 HydrophobicContact CE2-CG 4.1Å; F300-P329 HydrophobicContact CZ-CG 4.23Å; T304-P329 HydrophobicContact CG2-CG 3.87Å; G327-P329 VanDerWaalsContact O-CD 3.32Å; G327-P329 WeakPolarHBondContact O-CD 3.45Å; P329-F331 HydrophobicContact CB-CD1 3.58Å; P329-F331 HydrophobicContact CB-CD2 4.48Å; P329-F331 HydrophobicContact CB-CE1 3.19Å; P329-F331 HydrophobicContact CB-CE2 4.15Å; P329-F331 HydrophobicContact CB-CG 4.24Å; P329-F331 HydrophobicContact CB-CZ 3.5Å; P329-F331 VanDerWaalsContact CB-CZ 3.5Å; P329-F331 HydrophobicContact CG-CE1 4.15Å; P329-F331 HydrophobicContact CG-CZ 4.06Å; P329-F331 PolarHBondContact O-N 2.91Å; P329-L332 HydrophobicContact CB-CD1 4.26Å; P329-L332 HydrophobicContact CB-CG 4.17Å; P329-L332 HydrophobicContact CG-CD1 3.85Å; P329-L332 HydrophobicContact CG-CG 4.29Å; P329-L332 PolarHBondContact O-N 3.36Å
330	Q	76	Confident	88.2	Confident	189 Å²	189	56.1 Å²	56.1	88%	0.883	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-20.1	-176.2	-65.2	-175.5	6.3	0	0	113.2	M328 L332	M328-Q330 PolarHBondContact O-N 2.87Å; Q330-L332 VanDerWaalsContact C-N 3.3Å; Q330-L332 PolarHBondContact O-N 3.01Å
331	F	72.6	Confident	88.4	Confident	79 Å²	79	59.6 Å²	59.6	35%	0.346	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.5	179.9	59.8	-100.7	0	0	0	113.4	T304 P329 L621 T623	T304-F331 HydrophobicContact CG2-CZ 4.08Å; P329-F331 HydrophobicContact CB-CD1 3.58Å; P329-F331 HydrophobicContact CB-CD2 4.48Å; P329-F331 HydrophobicContact CB-CE1 3.19Å; P329-F331 HydrophobicContact CB-CE2 4.15Å; P329-F331 HydrophobicContact CB-CG 4.24Å; P329-F331 HydrophobicContact CB-CZ 3.5Å; P329-F331 VanDerWaalsContact CB-CZ 3.5Å; P329-F331 HydrophobicContact CG-CE1 4.15Å; P329-F331 HydrophobicContact CG-CZ 4.06Å; P329-F331 PolarHBondContact O-N 2.91Å; F331-L621 HydrophobicContact CD2-CD2 4.27Å; F331-L621 VanDerWaalsContact O-CD2 3.27Å; F331-L621 WeakPolarHBondContact O-CD2 3.31Å; F331-T623 HydrophobicContact CD1-CG2 3.66Å; F331-T623 HydrophobicContact CD2-CG2 3.97Å; F331-T623 HydrophobicContact CE1-CG2 3.63Å; F331-T623 HydrophobicContact CE2-CG2 3.96Å; F331-T623 HydrophobicContact CG-CG2 3.82Å; F331-T623 HydrophobicContact CZ-CG2 3.8Å
332	L	79.6	Confident	88.5	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	32%	0.316	C	S	.	.	S	Bend	trans	-73.7	146.2	-179.6	-62	179.7	0	0	0	111.7	L303 M328 P329 Q330 V336 Q337 L340	L303-L332 HydrophobicContact CB-CD2 4.06Å; L303-L332 HydrophobicContact CD1-CD2 4.35Å; M328-L332 HydrophobicContact SD-CD1 4.45Å; P329-L332 HydrophobicContact CB-CD1 4.26Å; P329-L332 HydrophobicContact CB-CG 4.17Å; P329-L332 HydrophobicContact CG-CD1 3.85Å; P329-L332 HydrophobicContact CG-CG 4.29Å; P329-L332 PolarHBondContact O-N 3.36Å; Q330-L332 VanDerWaalsContact C-N 3.3Å; Q330-L332 PolarHBondContact O-N 3.01Å; L332-V336 HydrophobicContact CB-CB 4.3Å; L332-V336 HydrophobicContact CB-CG1 3.75Å; L332-V336 HydrophobicContact CD1-CG1 3.68Å; L332-V336 HydrophobicContact CD2-CG1 4.14Å; L332-V336 HydrophobicContact CG-CG1 4.06Å; L332-Q337 HydrophobicContact CB-CG 3.98Å; L332-Q337 PolarHBondContact O-NE2 3.49Å; L332-L340 HydrophobicContact CD1-CD1 3.81Å
333	S	84.1	Confident	88.7	Confident	21 Å²	21	58.5 Å²	58.5	15%	0.147	30%	0.304	C	S	.	.			trans	-60.9	152.8	178	68.5	0	0	0	0	112.5	E208 E335 V336 Q337	E208-S333 PolarHBondContact OE1-N 3.49Å; E208-S333 PolarHBondContact OE1-OG 2.96Å; E208-S333 WeakPolarHBondContact OE2-CB 3.4Å; E208-S333 PolarHBondContact OE2-OG 3.3Å; S333-E335 PolarHBondContact O-N 3.3Å; S333-V336 PolarHBondContact O-N 2.96Å; S333-V336 VanDerWaalsContact O-N 3.11Å; S333-V336 WeakPolarHBondContact OG-CB 3.04Å; S333-V336 WeakPolarHBondContact OG-CG2 3.34Å; S333-V336 PolarHBondContact OG-N 3.43Å; S333-V336 VanDerWaalsContact OG-N 3.14Å; S333-Q337 VanDerWaalsContact O-CG 3.32Å; S333-Q337 WeakPolarHBondContact O-CG 3.31Å; S333-Q337 PolarHBondContact O-N 2.96Å
334	P	88.8	Confident	88.9	Confident	91 Å²	91	50.8 Å²	50.8	59%	0.591	27%	0.271	S	S	*	.	H	α-helix	trans	-53.2	-36.4	174.4	-26.6	35.5	0	0	0	113.1	S338	P334-S338 VanDerWaalsContact O-CB 3.24Å; P334-S338 WeakPolarHBondContact O-CB 3.11Å; P334-S338 PolarHBondContact O-N 2.93Å
335	E	91.8	Very high	89.1	Confident	48 Å²	48	54.4 Å²	54.4	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-49.9	176	-70.6	66.1	-147.8	0	0	111.4	S333 S338 L339 H365 R366 F367	S333-E335 PolarHBondContact O-N 3.3Å; E335-S338 WeakPolarHBondContact O-CB 3.31Å; E335-S338 PolarHBondContact O-N 3.04Å; E335-L339 PolarHBondContact O-N 2.93Å; E335-H365 PolarHBondContact O-CE1 3.31Å; E335-H365 VanDerWaalsContact O-CE1 3.3Å; E335-R366 HydrophobicContact CG-CB 4.25Å; E335-R366 HydrophobicContact CG-CG 3.97Å; E335-R366 IonicContact OE1-CZ 3.61Å; E335-R366 IonicContact OE1-NE 3.54Å; E335-R366 IonicContact OE1-NH1 3.48Å; E335-R366 PolarHBondContact OE1-NH1 3.2Å; E335-F367 HydrophobicContact CB-CB 4.4Å
336	V	91.8	Very high	89.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-47.6	176.2	159.4	0	0	0	0	111.3	E208 M299 L303 L332 S333 S338 L339 L340 F367	E208-V336 HydrophobicContact CG-CG2 3.94Å; E208-V336 WeakPolarHBondContact OE1-CG2 3.43Å; E208-V336 VanDerWaalsContact OE2-CG2 3.26Å; E208-V336 WeakPolarHBondContact OE2-CG2 3.46Å; M299-V336 HydrophobicContact CE-CB 4.16Å; M299-V336 HydrophobicContact CE-CG1 3.86Å; M299-V336 HydrophobicContact CE-CG2 3.83Å; L303-V336 HydrophobicContact CD1-CG1 3.57Å; L303-V336 HydrophobicContact CD1-CG2 4.31Å; L332-V336 HydrophobicContact CB-CB 4.3Å; L332-V336 HydrophobicContact CB-CG1 3.75Å; L332-V336 HydrophobicContact CD1-CG1 3.68Å; L332-V336 HydrophobicContact CD2-CG1 4.14Å; L332-V336 HydrophobicContact CG-CG1 4.06Å; S333-V336 PolarHBondContact O-N 2.96Å; S333-V336 VanDerWaalsContact O-N 3.11Å; S333-V336 WeakPolarHBondContact OG-CB 3.04Å; S333-V336 WeakPolarHBondContact OG-CG2 3.34Å; S333-V336 PolarHBondContact OG-N 3.43Å; S333-V336 VanDerWaalsContact OG-N 3.14Å; V336-S338 VanDerWaalsContact C-N 3.26Å; V336-S338 PolarHBondContact O-N 2.97Å; V336-L339 PolarHBondContact O-N 3.47Å; V336-L340 HydrophobicContact CG1-CD1 3.76Å; V336-L340 HydrophobicContact CG1-CG 4.34Å; V336-L340 WeakPolarHBondContact O-CG 3.3Å; V336-L340 PolarHBondContact O-N 2.62Å; V336-F367 HydrophobicContact CG2-CD2 3.54Å; V336-F367 HydrophobicContact CG2-CE2 3.28Å; V336-F367 HydrophobicContact CG2-CZ 4.16Å
337	Q	92.8	Very high	89.6	Confident	34 Å²	34	51.4 Å²	51.4	16%	0.159	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-39	179.3	-63.7	-177.1	31.2	0	0	111.4	M328 L332 S333 R341	M328-Q337 HydrophobicContact CE-CB 4.09Å; M328-Q337 WeakPolarHBondContact CE-O 3.42Å; M328-Q337 HydrophobicContact CG-CB 4.06Å; M328-Q337 HydrophobicContact CG-CG 3.61Å; M328-Q337 HydrophobicContact SD-CB 3.88Å; M328-Q337 HydrophobicContact SD-CG 3.7Å; L332-Q337 HydrophobicContact CB-CG 3.98Å; L332-Q337 PolarHBondContact O-NE2 3.49Å; S333-Q337 VanDerWaalsContact O-CG 3.32Å; S333-Q337 WeakPolarHBondContact O-CG 3.31Å; S333-Q337 PolarHBondContact O-N 2.96Å; Q337-R341 WeakPolarHBondContact O-CB 3.32Å; Q337-R341 VanDerWaalsContact O-CG 3.25Å; Q337-R341 WeakPolarHBondContact O-CG 3.14Å; Q337-R341 PolarHBondContact O-N 3.27Å
338	S	96.4	Very high	89.9	Confident	54 Å²	54	50.5 Å²	50.5	38%	0.378	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-49.2	174.7	-179.8	0	0	0	0	111.5	P334 E335 V336 R341 A342 H365	P334-S338 VanDerWaalsContact O-CB 3.24Å; P334-S338 WeakPolarHBondContact O-CB 3.11Å; P334-S338 PolarHBondContact O-N 2.93Å; E335-S338 WeakPolarHBondContact O-CB 3.31Å; E335-S338 PolarHBondContact O-N 3.04Å; V336-S338 VanDerWaalsContact C-N 3.26Å; V336-S338 PolarHBondContact O-N 2.97Å; S338-R341 PolarHBondContact O-N 3.45Å; S338-A342 PolarHBondContact O-N 2.94Å; S338-A342 VanDerWaalsContact O-N 3.12Å; S338-H365 PolarHBondContact OG-NE2 3.43Å
339	L	97.3	Very high	90.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-47.8	-180	-175.7	51.5	0	0	0	111.5	M299 E335 V336 R341 A342 L343 L352 H365 F367 F368	M299-L339 HydrophobicContact CE-CB 4.24Å; M299-L339 HydrophobicContact CE-CD2 3.76Å; M299-L339 HydrophobicContact CE-CG 4.21Å; M299-L339 HydrophobicContact SD-CB 4.47Å; M299-L339 HydrophobicContact SD-CD2 3.73Å; M299-L339 HydrophobicContact SD-CG 3.95Å; E335-L339 PolarHBondContact O-N 2.93Å; V336-L339 PolarHBondContact O-N 3.47Å; L339-R341 VanDerWaalsContact C-N 3.34Å; L339-R341 PolarHBondContact O-N 3.47Å; L339-A342 WeakPolarHBondContact O-CB 3.46Å; L339-A342 PolarHBondContact O-N 2.93Å; L339-L343 HydrophobicContact CD1-CD1 3.92Å; L339-L343 HydrophobicContact CD1-CG 4.1Å; L339-L343 HydrophobicContact CG-CD1 3.83Å; L339-L343 HydrophobicContact CG-CG 4.44Å; L339-L343 WeakPolarHBondContact O-CG 3.41Å; L339-L343 PolarHBondContact O-N 2.98Å; L339-L352 HydrophobicContact CD1-CD2 3.46Å; L339-L352 VanDerWaalsContact CD1-CD2 3.46Å; L339-H365 HydrophobicContact CD1-CB 4.38Å; L339-F367 HydrophobicContact CD2-CB 3.94Å; L339-F367 HydrophobicContact CD2-CD1 3.44Å; L339-F367 VanDerWaalsContact CD2-CD1 3.44Å; L339-F367 HydrophobicContact CD2-CE1 4.16Å; L339-F367 HydrophobicContact CD2-CG 3.88Å; L339-F368 HydrophobicContact CD2-CD2 4.48Å; L339-F368 HydrophobicContact CD2-CE2 3.66Å; L339-F368 HydrophobicContact CD2-CZ 4.1Å
340	L	96.4	Very high	90.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-41.6	178.3	-70.6	171.5	0	0	0	111.8	M299 F300 L326 M328 L332 V336 A342 L343 F344	M299-L340 HydrophobicContact CB-CD2 4.17Å; M299-L340 HydrophobicContact CE-CD2 4.43Å; M299-L340 HydrophobicContact CE-CG 4.26Å; M299-L340 HydrophobicContact CG-CD2 3.84Å; M299-L340 HydrophobicContact SD-CD2 3.67Å; M299-L340 HydrophobicContact SD-CG 4.05Å; F300-L340 HydrophobicContact CB-CD2 4.18Å; F300-L340 HydrophobicContact CD2-CD1 4.16Å; L326-L340 HydrophobicContact CD2-CB 4.41Å; M328-L340 HydrophobicContact CE-CB 3.99Å; M328-L340 HydrophobicContact SD-CD1 4.07Å; L332-L340 HydrophobicContact CD1-CD1 3.81Å; V336-L340 HydrophobicContact CG1-CD1 3.76Å; V336-L340 HydrophobicContact CG1-CG 4.34Å; V336-L340 WeakPolarHBondContact O-CG 3.3Å; V336-L340 PolarHBondContact O-N 2.62Å; L340-A342 VanDerWaalsContact C-N 3.26Å; L340-A342 PolarHBondContact O-N 3.24Å; L340-L343 PolarHBondContact O-N 2.85Å; L340-F344 HydrophobicContact CB-CD2 4.31Å; L340-F344 HydrophobicContact CB-CE2 4.48Å; L340-F344 HydrophobicContact CD2-CD2 4.46Å; L340-F344 HydrophobicContact CD2-CE2 3.88Å; L340-F344 WeakPolarHBondContact O-CB 3.4Å; L340-F344 WeakPolarHBondContact O-CD2 3.36Å; L340-F344 PolarHBondContact O-N 2.62Å
341	R	95.7	Very high	91.8	Very high	126 Å²	126	47.2 Å²	47.2	48%	0.475	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-33.8	175.1	-74.1	177.3	-160.3	114.9	2.3	112.6	M328 Q337 S338 L339 K345	M328-R341 HydrophobicContact CE-CG 3.74Å; Q337-R341 WeakPolarHBondContact O-CB 3.32Å; Q337-R341 VanDerWaalsContact O-CG 3.25Å; Q337-R341 WeakPolarHBondContact O-CG 3.14Å; Q337-R341 PolarHBondContact O-N 3.27Å; S338-R341 PolarHBondContact O-N 3.45Å; L339-R341 VanDerWaalsContact C-N 3.34Å; L339-R341 PolarHBondContact O-N 3.47Å; R341-K345 WeakPolarHBondContact O-CE 3.31Å
342	A	96.3	Very high	92.8	Very high	23 Å²	23	44.8 Å²	44.8	19%	0.19	24%	0.241	C	C	.	.	H	α-helix	trans	-76.8	-37	180	0	0	0	0	0	112.2	S338 L339 L340 K345 L352	S338-A342 PolarHBondContact O-N 2.94Å; S338-A342 VanDerWaalsContact O-N 3.12Å; L339-A342 WeakPolarHBondContact O-CB 3.46Å; L339-A342 PolarHBondContact O-N 2.93Å; L340-A342 VanDerWaalsContact C-N 3.26Å; L340-A342 PolarHBondContact O-N 3.24Å; A342-K345 WeakPolarHBondContact O-CG 3.4Å; A342-L352 HydrophobicContact CB-CB 3.91Å; A342-L352 HydrophobicContact CB-CD2 4.14Å; A342-L352 HydrophobicContact CB-CG 4.46Å; A342-L352 PolarHBondContact O-N 2.87Å
343	L	96.7	Very high	93.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.5	-35.6	176.3	-66.4	168	0	0	0	112.5	W292 F295 M299 L339 L340 K345 R351 L352	W292-L343 HydrophobicContact CB-CD2 4.27Å; F295-L343 HydrophobicContact CD1-CD1 3.88Å; F295-L343 HydrophobicContact CD1-CD2 4.38Å; F295-L343 HydrophobicContact CE1-CD1 4.28Å; M299-L343 HydrophobicContact SD-CD1 4.27Å; L339-L343 HydrophobicContact CD1-CD1 3.92Å; L339-L343 HydrophobicContact CD1-CG 4.1Å; L339-L343 HydrophobicContact CG-CD1 3.83Å; L339-L343 HydrophobicContact CG-CG 4.44Å; L339-L343 WeakPolarHBondContact O-CG 3.41Å; L339-L343 PolarHBondContact O-N 2.98Å; L340-L343 PolarHBondContact O-N 2.85Å; L343-K345 PolarHBondContact O-N 3.04Å; L343-R351 VanDerWaalsContact O-CD 3.23Å; L343-R351 WeakPolarHBondContact O-CD 3.39Å; L343-R351 VanDerWaalsContact O-CG 3.23Å; L343-R351 WeakPolarHBondContact O-CG 3.48Å; L343-R351 PolarHBondContact O-NE 3.11Å; L343-L352 HydrophobicContact CD2-CB 4.28Å
344	F	96.5	Very high	93.5	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.07	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	27	179.5	-69.6	-55.5	0	0	0	114.7	W293 G296 V297 F300 P308 F309 L326 L340 R346	W293-F344 AromaticContact CD2-CD1 3.97Å; W293-F344 HydrophobicContact CD2-CD1 3.97Å; W293-F344 HydrophobicContact CD2-CE1 4.34Å; W293-F344 AromaticContact CE2-CD1 3.94Å; W293-F344 AromaticContact CE3-CD1 3.9Å; W293-F344 HydrophobicContact CE3-CD1 3.9Å; W293-F344 AromaticContact CH2-CD1 3.85Å; W293-F344 HydrophobicContact CH2-CD1 3.85Å; W293-F344 AromaticContact CZ2-CD1 3.9Å; W293-F344 HydrophobicContact CZ2-CD1 3.9Å; W293-F344 HydrophobicContact CZ2-CE1 4.27Å; W293-F344 HydrophobicContact CZ3-CB 4.23Å; W293-F344 AromaticContact CZ3-CD1 3.85Å; W293-F344 HydrophobicContact CZ3-CD1 3.85Å; G296-F344 WeakPolarHBondContact O-CZ 3.4Å; V297-F344 HydrophobicContact CG2-CE1 3.73Å; V297-F344 HydrophobicContact CG2-CZ 4.13Å; F300-F344 HydrophobicContact CB-CE2 4.39Å; F300-F344 HydrophobicContact CB-CZ 4.42Å; P308-F344 HydrophobicContact CB-CZ 4.16Å; P308-F344 HydrophobicContact CG-CE1 4.34Å; P308-F344 HydrophobicContact CG-CZ 3.82Å; F309-F344 HydrophobicContact CE2-CD1 4.1Å; F309-F344 HydrophobicContact CE2-CE1 4.14Å; L326-F344 HydrophobicContact CD1-CD2 3.98Å; L326-F344 HydrophobicContact CD1-CE2 3.93Å; L326-F344 HydrophobicContact CD2-CB 4.47Å; L326-F344 HydrophobicContact CD2-CD2 3.47Å; L326-F344 VanDerWaalsContact CD2-CD2 3.47Å; L326-F344 HydrophobicContact CD2-CE2 4.06Å; L326-F344 HydrophobicContact CD2-CG 4.32Å; L326-F344 HydrophobicContact CG-CD2 4.31Å; L340-F344 HydrophobicContact CB-CD2 4.31Å; L340-F344 HydrophobicContact CB-CE2 4.48Å; L340-F344 HydrophobicContact CD2-CD2 4.46Å; L340-F344 HydrophobicContact CD2-CE2 3.88Å; L340-F344 WeakPolarHBondContact O-CB 3.4Å; L340-F344 WeakPolarHBondContact O-CD2 3.36Å; L340-F344 PolarHBondContact O-N 2.62Å; F344-R346 PolarHBondContact O-N 2.75Å
345	K	95.1	Very high	93.3	Very high	101 Å²	101	41.9 Å²	41.9	44%	0.439	23%	0.229	S	C	.	.			trans	-71.3	119.2	168.1	-63.1	-70.2	-175.9	178.9	0	109.3	R341 A342 L343 N350 R351	R341-K345 WeakPolarHBondContact O-CE 3.31Å; A342-K345 WeakPolarHBondContact O-CG 3.4Å; L343-K345 PolarHBondContact O-N 3.04Å; K345-N350 HydrophobicContact CB-CB 4.4Å; K345-N350 WeakPolarHBondContact CG-O 3.23Å; K345-R351 HydrophobicContact CB-CB 4.25Å; K345-R351 PolarHBondContact O-NE 3.18Å; K345-R351 PolarHBondContact O-NH2 3Å
346	R	93.4	Very high	92.8	Very high	87 Å²	87	46 Å²	46	33%	0.328	26%	0.26	S	S	.	.	S	Bend	trans	-65.9	-36.9	-178.1	-73.2	-179.8	159.7	78.1	16.9	113.4	P278 W293 I321 L322 A324 F344 P348	P278-R346 HydrophobicContact CG-CB 4.44Å; P278-R346 HydrophobicContact CG-CG 4.14Å; W293-R346 HydrophobicContact CZ3-CG 4.49Å; I321-R346 PolarHBondContact O-NH2 2.97Å; L322-R346 PolarHBondContact O-NE 2.78Å; A324-R346 VanDerWaalsContact O-CZ 3.25Å; A324-R346 PolarHBondContact O-NH1 2.9Å; A324-R346 PolarHBondContact O-NH2 3.4Å; F344-R346 PolarHBondContact O-N 2.75Å; R346-P348 WeakPolarHBondContact O-CD 3.26Å
347	N	92.3	Very high	92.5	Very high	84 Å²	84	50 Å²	50	45%	0.449	28%	0.281	S	S	.	.	S	Bend	trans	-75.5	115	170.5	-177.1	-1	0	0	0	108	A349 N350	N347-A349 PolarHBondContact O-N 3.24Å; N347-A349 PolarHBondContact OD1-N 3.45Å; N347-N350 HydrophobicContact CB-CB 4.48Å; N347-N350 PolarHBondContact O-N 3.36Å; N347-N350 VanDerWaalsContact O-N 3.08Å
348	P	91.6	Very high	92.2	Very high	38 Å²	38	49 Å²	49	25%	0.247	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.8	-177.7	21.6	-32.9	0	0	0	113	E279 S289 R346 N350 R351 A354	E279-P348 HydrophobicContact CG-CG 4.49Å; S289-P348 VanDerWaalsContact OG-CB 3.24Å; S289-P348 WeakPolarHBondContact OG-CB 3.3Å; R346-P348 WeakPolarHBondContact O-CD 3.26Å; P348-N350 PolarHBondContact O-N 3.26Å; P348-R351 VanDerWaalsContact O-CB 3.28Å; P348-R351 WeakPolarHBondContact O-CB 3.33Å; P348-R351 PolarHBondContact O-N 2.87Å; P348-R351 VanDerWaalsContact O-N 3.15Å; P348-A354 WeakPolarHBondContact O-CB 3.43Å
349	A	90.1	Very high	92.1	Very high	72 Å²	72	46.7 Å²	46.7	60%	0.595	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.6	-22.6	179.5	0	0	0	0	0	113.9	N347	N347-A349 PolarHBondContact O-N 3.24Å; N347-A349 PolarHBondContact OD1-N 3.45Å
350	N	92.7	Very high	91.9	Very high	110 Å²	110	50.4 Å²	50.4	59%	0.588	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-99.1	1.8	179.1	-63	-8.8	0	0	0	112	K345 N347 P348	K345-N350 HydrophobicContact CB-CB 4.4Å; K345-N350 WeakPolarHBondContact CG-O 3.23Å; N347-N350 HydrophobicContact CB-CB 4.48Å; N347-N350 PolarHBondContact O-N 3.36Å; N347-N350 VanDerWaalsContact O-N 3.08Å; P348-N350 PolarHBondContact O-N 3.26Å
351	R	95.4	Very high	91.8	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.011	29%	0.292	C	S	.	.	S	Bend	trans	-81.6	137.2	-176.1	-168	175.4	-59.2	141.8	4.7	109.6	E279 S289 L343 K345 P348 G353 A354	E279-R351 IonicContact OE1-CZ 2.84Å; E279-R351 IonicContact OE1-NH1 2.72Å; E279-R351 PolarHBondContact OE1-NH1 3.37Å; E279-R351 IonicContact OE1-NH2 2.91Å; E279-R351 PolarHBondContact OE1-NH2 3.1Å; E279-R351 IonicContact OE2-CZ 3.66Å; E279-R351 IonicContact OE2-NH1 3.23Å; E279-R351 IonicContact OE2-NH2 2.77Å; E279-R351 PolarHBondContact OE2-NH2 3.09Å; S289-R351 WeakPolarHBondContact O-CD 3.48Å; S289-R351 PolarHBondContact O-NH1 3.31Å; L343-R351 VanDerWaalsContact O-CD 3.23Å; L343-R351 WeakPolarHBondContact O-CD 3.39Å; L343-R351 VanDerWaalsContact O-CG 3.23Å; L343-R351 WeakPolarHBondContact O-CG 3.48Å; L343-R351 PolarHBondContact O-NE 3.11Å; K345-R351 HydrophobicContact CB-CB 4.25Å; K345-R351 PolarHBondContact O-NE 3.18Å; K345-R351 PolarHBondContact O-NH2 3Å; P348-R351 VanDerWaalsContact O-CB 3.28Å; P348-R351 WeakPolarHBondContact O-CB 3.33Å; P348-R351 PolarHBondContact O-N 2.87Å; P348-R351 VanDerWaalsContact O-N 3.15Å; R351-G353 PolarHBondContact O-N 3.07Å; R351-A354 HydrophobicContact CB-CB 4.37Å; R351-A354 WeakPolarHBondContact O-CB 3.5Å; R351-A354 PolarHBondContact O-N 2.81Å
352	L	94.6	Very high	91.8	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.147	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132.4	175.2	-166.2	71.7	0	0	0	110.1	L339 A342 L343 A354 E361 I362	L339-L352 HydrophobicContact CD1-CD2 3.46Å; L339-L352 VanDerWaalsContact CD1-CD2 3.46Å; A342-L352 HydrophobicContact CB-CB 3.91Å; A342-L352 HydrophobicContact CB-CD2 4.14Å; A342-L352 HydrophobicContact CB-CG 4.46Å; A342-L352 PolarHBondContact O-N 2.87Å; L343-L352 HydrophobicContact CD2-CB 4.28Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-E361 HydrophobicContact CD1-CB 3.78Å; L352-E361 HydrophobicContact CG-CB 4.32Å; L352-I362 HydrophobicContact CD2-CG1 3.97Å; L352-I362 HydrophobicContact CG-CG1 3.94Å
353	G	90.3	Very high	91.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-2.8	-177.6	0	0	0	0	0	115.1	W292 R351 G358 E361	W292-G353 PolarHBondContact NE1-O 2.69Å; R351-G353 PolarHBondContact O-N 3.07Å; G353-G358 WeakPolarHBondContact CA-O 3.11Å; G353-E361 PolarHBondContact N-OE2 2.83Å
354	A	87.1	Confident	91.8	Very high	33 Å²	33	54.2 Å²	54.2	27%	0.273	29%	0.293	S	S	.	.			trans	-94.4	-11.5	174.9	0	0	0	0	0	113.7	P348 R351 L352	P348-A354 WeakPolarHBondContact O-CB 3.43Å; R351-A354 HydrophobicContact CB-CB 4.37Å; R351-A354 WeakPolarHBondContact O-CB 3.5Å; R351-A354 PolarHBondContact O-N 2.81Å; L352-A354 VanDerWaalsContact C-N 3.34Å
355	G	84.4	Confident	91.9	Very high	22 Å²	22	54.7 Å²	54.7	23%	0.227	30%	0.296	C	S	.	.	S	Bend	trans	-70.7	176.9	176.9	0	0	0	0	0	113.6	D357 G358 E361	G355-D357 PolarHBondContact O-N 2.86Å; G355-G358 PolarHBondContact O-N 2.82Å; G355-E361 WeakPolarHBondContact CA-OE1 3.1Å
356	P	82.8	Confident	91.9	Very high	135 Å²	135	58.6 Å²	58.6	88%	0.877	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.6	-179.4	26.8	-34.6	0	0	0	113	G358	P356-G358 VanDerWaalsContact C-N 3.25Å; P356-G358 PolarHBondContact O-N 2.75Å
357	D	84.3	Confident	92	Very high	85 Å²	85	54.7 Å²	54.7	46%	0.455	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.3	177.3	-73.4	3.2	0	0	0	112.7	G355 V359 E360 E361 R364	G355-D357 PolarHBondContact O-N 2.86Å; D357-V359 PolarHBondContact O-N 3.26Å; D357-E360 HydrophobicContact CB-CB 4.41Å; D357-E360 VanDerWaalsContact O-CB 3.3Å; D357-E360 WeakPolarHBondContact O-CB 3.09Å; D357-E360 PolarHBondContact O-N 3.14Å; D357-E361 HydrophobicContact CB-CG 3.87Å; D357-R364 IonicContact OD2-CZ 2.75Å; D357-R364 IonicContact OD2-NH1 3.81Å; D357-R364 IonicContact OD2-NH2 3.39Å; D357-R364 PolarHBondContact OD2-NH2 2.63Å
358	G	87.4	Confident	92.3	Very high	13 Å²	13	50.8 Å²	50.8	13%	0.134	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-129.1	174.3	0	0	0	0	0	113	G353 G355 P356 E360 E361	G353-G358 WeakPolarHBondContact CA-O 3.11Å; G355-G358 PolarHBondContact O-N 2.82Å; P356-G358 VanDerWaalsContact C-N 3.25Å; P356-G358 PolarHBondContact O-N 2.75Å; G358-E360 PolarHBondContact O-N 3.39Å; G358-E360 VanDerWaalsContact O-N 3.12Å; G358-E361 PolarHBondContact O-N 3.32Å
359	V	92.8	Very high	92.4	Very high	5 Å²	5	53 Å²	53	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-22.9	-178.5	76.8	0	0	0	0	113.3	A219 D223 W292 D357 E361 I362 K363	A219-V359 HydrophobicContact CB-CG2 4.2Å; D223-V359 HydrophobicContact CB-CB 3.99Å; D223-V359 HydrophobicContact CB-CG1 3.71Å; D223-V359 HydrophobicContact CB-CG2 4.13Å; D223-V359 VanDerWaalsContact OD1-CG1 3.23Å; D223-V359 WeakPolarHBondContact OD1-CG1 3.27Å; D223-V359 VanDerWaalsContact OD2-CG1 3.32Å; D223-V359 WeakPolarHBondContact OD2-CG1 3.33Å; W292-V359 HydrophobicContact CH2-CB 4.23Å; W292-V359 HydrophobicContact CH2-CG2 3.64Å; W292-V359 HydrophobicContact CZ2-CB 4.06Å; W292-V359 HydrophobicContact CZ2-CG2 3.98Å; D357-V359 PolarHBondContact O-N 3.26Å; V359-E361 PolarHBondContact O-N 3.37Å; V359-I362 HydrophobicContact CG2-CB 4.4Å; V359-I362 CarbonylContact O-C 3.57Å; V359-I362 WeakPolarHBondContact O-CA 3.19Å; V359-I362 VanDerWaalsContact O-CB 3.3Å; V359-I362 WeakPolarHBondContact O-CB 3.36Å; V359-I362 PolarHBondContact O-N 3.37Å; V359-K363 HydrophobicContact CG1-CD 4.38Å; V359-K363 HydrophobicContact CG2-CG 4.32Å; V359-K363 PolarHBondContact O-N 2.98Å
360	E	94.6	Very high	92.4	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-27.5	-176.9	-63.1	-58.9	127.9	0	0	111.5	D357 G358 I362 K363 R364	D357-E360 HydrophobicContact CB-CB 4.41Å; D357-E360 VanDerWaalsContact O-CB 3.3Å; D357-E360 WeakPolarHBondContact O-CB 3.09Å; D357-E360 PolarHBondContact O-N 3.14Å; G358-E360 PolarHBondContact O-N 3.39Å; G358-E360 VanDerWaalsContact O-N 3.12Å; E360-I362 VanDerWaalsContact C-N 3.29Å; E360-I362 PolarHBondContact O-N 3.25Å; E360-K363 PolarHBondContact O-N 3.48Å; E360-K363 WeakPolarHBondContact OE1-CD 3.37Å; E360-K363 WeakPolarHBondContact OE1-CE 3.17Å; E360-K363 IonicContact OE1-NZ 3.89Å; E360-K363 PolarHBondContact OE1-NZ 3.27Å; E360-R364 WeakPolarHBondContact O-CB 3.35Å; E360-R364 VanDerWaalsContact O-CG 3.27Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.2Å; E360-R364 PolarHBondContact O-NE 3.35Å
361	E	94.7	Very high	92.6	Very high	51 Å²	51	48.8 Å²	48.8	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-37.8	170.1	-61.5	-179.1	175.9	0	0	112.3	L352 G353 G355 D357 G358 V359 H365	L352-E361 HydrophobicContact CD1-CB 3.78Å; L352-E361 HydrophobicContact CG-CB 4.32Å; G353-E361 PolarHBondContact N-OE2 2.83Å; G355-E361 WeakPolarHBondContact CA-OE1 3.1Å; D357-E361 HydrophobicContact CB-CG 3.87Å; G358-E361 PolarHBondContact O-N 3.32Å; V359-E361 PolarHBondContact O-N 3.37Å; E361-H365 PolarHBondContact O-N 3.28Å
362	I	95.5	Very high	92.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72	-46.2	177.1	-61.7	174.8	0	0	0	109.4	W292 L352 V359 E360 R364 H365 F368	W292-I362 HydrophobicContact CD2-CD1 3.36Å; W292-I362 HydrophobicContact CE3-CD1 3.16Å; W292-I362 HydrophobicContact CG-CD1 4.15Å; W292-I362 HydrophobicContact CH2-CD1 3.56Å; W292-I362 HydrophobicContact CZ2-CD1 3.71Å; W292-I362 HydrophobicContact CZ3-CD1 3.26Å; L352-I362 HydrophobicContact CD2-CG1 3.97Å; L352-I362 HydrophobicContact CG-CG1 3.94Å; V359-I362 HydrophobicContact CG2-CB 4.4Å; V359-I362 CarbonylContact O-C 3.57Å; V359-I362 WeakPolarHBondContact O-CA 3.19Å; V359-I362 VanDerWaalsContact O-CB 3.3Å; V359-I362 WeakPolarHBondContact O-CB 3.36Å; V359-I362 PolarHBondContact O-N 3.37Å; E360-I362 VanDerWaalsContact C-N 3.29Å; E360-I362 PolarHBondContact O-N 3.25Å; I362-R364 PolarHBondContact O-N 3.23Å; I362-H365 VanDerWaalsContact O-CB 3.3Å; I362-H365 WeakPolarHBondContact O-CB 3.28Å; I362-H365 PolarHBondContact O-N 2.85Å; I362-F368 HydrophobicContact CG2-CD2 4.23Å; I362-F368 HydrophobicContact CG2-CE2 3.63Å; I362-F368 HydrophobicContact CG2-CZ 4.33Å; I362-F368 VanDerWaalsContact O-CD2 3.26Å; I362-F368 WeakPolarHBondContact O-CD2 3.48Å
363	K	96.4	Very high	92.8	Very high	31 Å²	31	52.1 Å²	52.1	14%	0.135	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-34.8	-179.8	-62.9	-174.3	-171.3	154.3	0	113.1	D223 V359 E360 H365 W373	D223-K363 IonicContact OD2-NZ 2.78Å; D223-K363 PolarHBondContact OD2-NZ 2.89Å; V359-K363 HydrophobicContact CG1-CD 4.38Å; V359-K363 HydrophobicContact CG2-CG 4.32Å; V359-K363 PolarHBondContact O-N 2.98Å; E360-K363 PolarHBondContact O-N 3.48Å; E360-K363 WeakPolarHBondContact OE1-CD 3.37Å; E360-K363 WeakPolarHBondContact OE1-CE 3.17Å; E360-K363 IonicContact OE1-NZ 3.89Å; E360-K363 PolarHBondContact OE1-NZ 3.27Å; K363-H365 VanDerWaalsContact C-N 3.35Å; K363-W373 VanDerWaalsContact CA-CZ2 3.45Å; K363-W373 HydrophobicContact CB-CD2 4.22Å; K363-W373 HydrophobicContact CB-CH2 4.34Å; K363-W373 HydrophobicContact CB-CZ2 3.71Å; K363-W373 HydrophobicContact CD-CD2 3.85Å; K363-W373 HydrophobicContact CD-CE3 4Å; K363-W373 HydrophobicContact CD-CG 4.21Å; K363-W373 HydrophobicContact CD-CZ3 4.4Å; K363-W373 HydrophobicContact CG-CD2 3.81Å; K363-W373 HydrophobicContact CG-CE3 3.96Å; K363-W373 HydrophobicContact CG-CH2 3.79Å; K363-W373 HydrophobicContact CG-CZ2 3.65Å; K363-W373 HydrophobicContact CG-CZ3 3.93Å
364	R	96.1	Very high	93.1	Very high	147 Å²	147	57.5 Å²	57.5	56%	0.555	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.8	177.8	-69.2	-175.7	-60.1	-113.2	8.2	114.3	D357 E360 I362 R366	D357-R364 IonicContact OD2-CZ 2.75Å; D357-R364 IonicContact OD2-NH1 3.81Å; D357-R364 IonicContact OD2-NH2 3.39Å; D357-R364 PolarHBondContact OD2-NH2 2.63Å; E360-R364 WeakPolarHBondContact O-CB 3.35Å; E360-R364 VanDerWaalsContact O-CG 3.27Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.2Å; E360-R364 PolarHBondContact O-NE 3.35Å; I362-R364 PolarHBondContact O-N 3.23Å; R364-R366 PolarHBondContact O-N 2.68Å
365	H	97.5	Very high	93.6	Very high	26 Å²	26	60.6 Å²	60.6	12%	0.12	32%	0.318	C	S	.	.	S	Bend	trans	-64.9	137.8	-179	-171.2	-85.1	0	0	0	110.7	E335 S338 L339 E361 I362 K363 F367 F368	E335-H365 PolarHBondContact O-CE1 3.31Å; E335-H365 VanDerWaalsContact O-CE1 3.3Å; S338-H365 PolarHBondContact OG-NE2 3.43Å; L339-H365 HydrophobicContact CD1-CB 4.38Å; E361-H365 PolarHBondContact O-N 3.28Å; I362-H365 VanDerWaalsContact O-CB 3.3Å; I362-H365 WeakPolarHBondContact O-CB 3.28Å; I362-H365 PolarHBondContact O-N 2.85Å; K363-H365 VanDerWaalsContact C-N 3.35Å; H365-F367 WeakPolarHBondContact ND1-CB 3.35Å; H365-F367 PolarHBondContact ND1-N 2.8Å; H365-F367 PolarHBondContact O-N 3.19Å; H365-F368 HydrophobicContact CB-CD2 4.41Å; H365-F368 PolarHBondContact O-N 2.78Å
366	R	95.8	Very high	94.1	Very high	183 Å²	183	59.5 Å²	59.5	69%	0.691	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31.3	-173.9	-167.6	179.4	-173.5	-164.7	11	114	E335 R364 F368 A369	E335-R366 HydrophobicContact CG-CB 4.25Å; E335-R366 HydrophobicContact CG-CG 3.97Å; E335-R366 IonicContact OE1-CZ 3.61Å; E335-R366 IonicContact OE1-NE 3.54Å; E335-R366 IonicContact OE1-NH1 3.48Å; E335-R366 PolarHBondContact OE1-NH1 3.2Å; R364-R366 PolarHBondContact O-N 2.68Å; R366-F368 PolarHBondContact O-N 2.54Å; R366-A369 VanDerWaalsContact O-CB 3.22Å; R366-A369 WeakPolarHBondContact O-CB 3.36Å; R366-A369 PolarHBondContact O-N 2.57Å; R366-A369 VanDerWaalsContact O-N 3.12Å
367	F	96.2	Very high	94.8	Very high	5 Å²	5	58.3 Å²	58.3	2%	0.022	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37.3	173.7	-179.4	-110.8	0	0	0	112.8	E208 K212 L215 M299 E335 V336 L339 H365	E208-F367 HydrophobicContact CB-CE2 4.46Å; K212-F367 HydrophobicContact CB-CE1 3.71Å; K212-F367 HydrophobicContact CB-CE2 4.19Å; K212-F367 HydrophobicContact CB-CZ 3.51Å; K212-F367 WeakPolarHBondContact CD-O 3.47Å; K212-F367 WeakPolarHBondContact CE-O 3.39Å; K212-F367 HydrophobicContact CG-CD1 4.17Å; K212-F367 HydrophobicContact CG-CE1 3.81Å; K212-F367 HydrophobicContact CG-CZ 4.01Å; L215-F367 HydrophobicContact CD1-CE1 4.44Å; M299-F367 HydrophobicContact CE-CD1 4.4Å; M299-F367 HydrophobicContact CE-CE1 4.08Å; M299-F367 HydrophobicContact CE-CE2 4.35Å; M299-F367 HydrophobicContact CE-CZ 4.06Å; E335-F367 HydrophobicContact CB-CB 4.4Å; V336-F367 HydrophobicContact CG2-CD2 3.54Å; V336-F367 HydrophobicContact CG2-CE2 3.28Å; V336-F367 HydrophobicContact CG2-CZ 4.16Å; L339-F367 HydrophobicContact CD2-CB 3.94Å; L339-F367 HydrophobicContact CD2-CD1 3.44Å; L339-F367 VanDerWaalsContact CD2-CD1 3.44Å; L339-F367 HydrophobicContact CD2-CE1 4.16Å; L339-F367 HydrophobicContact CD2-CG 3.88Å; H365-F367 WeakPolarHBondContact ND1-CB 3.35Å; H365-F367 PolarHBondContact ND1-N 2.8Å; H365-F367 PolarHBondContact O-N 3.19Å
368	F	97.4	Very high	95.4	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-95.6	13	-179.5	-60.6	-75.3	0	0	0	113.8	K212 L215 A216 F295 L339 I362 H365 R366 S370 I371 W373	K212-F368 HydrophobicContact CG-CD1 3.84Å; K212-F368 HydrophobicContact CG-CE1 4.25Å; L215-F368 HydrophobicContact CB-CE1 4.04Å; L215-F368 HydrophobicContact CB-CZ 4.11Å; A216-F368 HydrophobicContact CB-CD1 4.07Å; A216-F368 HydrophobicContact CB-CE1 4.12Å; F295-F368 HydrophobicContact CE1-CZ 4.43Å; F295-F368 HydrophobicContact CZ-CZ 4.18Å; L339-F368 HydrophobicContact CD2-CD2 4.48Å; L339-F368 HydrophobicContact CD2-CE2 3.66Å; L339-F368 HydrophobicContact CD2-CZ 4.1Å; I362-F368 HydrophobicContact CG2-CD2 4.23Å; I362-F368 HydrophobicContact CG2-CE2 3.63Å; I362-F368 HydrophobicContact CG2-CZ 4.33Å; I362-F368 VanDerWaalsContact O-CD2 3.26Å; I362-F368 WeakPolarHBondContact O-CD2 3.48Å; H365-F368 HydrophobicContact CB-CD2 4.41Å; H365-F368 PolarHBondContact O-N 2.78Å; R366-F368 PolarHBondContact O-N 2.54Å; F368-S370 PolarHBondContact O-N 3.28Å; F368-S370 VanDerWaalsContact O-N 3.1Å; F368-I371 HydrophobicContact CB-CG1 4.33Å; F368-I371 HydrophobicContact CD1-CG1 4.23Å; F368-I371 WeakPolarHBondContact O-CB 3.3Å; F368-I371 PolarHBondContact O-N 2.9Å; F368-W373 HydrophobicContact CB-CH2 4.46Å; F368-W373 HydrophobicContact CB-CZ2 3.65Å; F368-W373 HydrophobicContact CD1-CH2 4.14Å; F368-W373 HydrophobicContact CD1-CZ2 4.14Å; F368-W373 HydrophobicContact CD2-CZ2 4.44Å; F368-W373 HydrophobicContact CG-CH2 4.19Å; F368-W373 AromaticContact CG-CZ2 3.85Å; F368-W373 HydrophobicContact CG-CZ2 3.85Å
369	A	93.4	Very high	95.7	Very high	86 Å²	86	63 Å²	63	71%	0.711	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.6	-173.7	0	0	0	0	0	114.3	R366	R366-A369 VanDerWaalsContact O-CB 3.22Å; R366-A369 WeakPolarHBondContact O-CB 3.36Å; R366-A369 PolarHBondContact O-N 2.57Å; R366-A369 VanDerWaalsContact O-N 3.12Å
370	S	92	Very high	95.8	Very high	75 Å²	75	68 Å²	68	52%	0.524	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.7	177.1	56.8	0	0	0	0	114.2	K212 F368	K212-S370 WeakPolarHBondContact CD-OG 3.34Å; K212-S370 PolarHBondContact NZ-OG 3.17Å; K212-S370 VanDerWaalsContact NZ-OG 3.16Å; F368-S370 PolarHBondContact O-N 3.28Å; F368-S370 VanDerWaalsContact O-N 3.1Å
371	I	96.7	Very high	95.5	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.087	31%	0.312	C	S	.	.			trans	-87.6	122.4	-176.7	-60.3	-59.9	0	0	0	110.5	K212 A216 F368 W373 L376 M381	K212-I371 HydrophobicContact CD-CD1 4.12Å; K212-I371 HydrophobicContact CD-CG1 4.09Å; K212-I371 HydrophobicContact CG-CD1 4.14Å; K212-I371 HydrophobicContact CG-CG1 4.05Å; A216-I371 HydrophobicContact CB-CD1 4.4Å; A216-I371 HydrophobicContact CB-CG1 4.14Å; A216-I371 HydrophobicContact CB-CG2 3.98Å; F368-I371 HydrophobicContact CB-CG1 4.33Å; F368-I371 HydrophobicContact CD1-CG1 4.23Å; F368-I371 WeakPolarHBondContact O-CB 3.3Å; F368-I371 PolarHBondContact O-N 2.9Å; I371-W373 HydrophobicContact CG2-CD2 3.99Å; I371-W373 HydrophobicContact CG2-CE3 4.37Å; I371-W373 HydrophobicContact CG2-CG 4.27Å; I371-W373 HydrophobicContact CG2-CZ2 4.35Å; I371-W373 PolarHBondContact O-N 3.22Å; I371-L376 HydrophobicContact CG2-CD2 3.9Å; I371-M381 HydrophobicContact CD1-CE 4.28Å
372	D	96.6	Very high	95	Very high	62 Å²	62	74.3 Å²	74.3	33%	0.332	34%	0.339	S	S	.	.			trans	-86.8	97.8	164.1	-175.1	-31	0	0	0	109	N374 K375 L376 M381	D372-N374 PolarHBondContact O-N 2.57Å; D372-N374 PolarHBondContact OD1-N 3.08Å; D372-N374 VanDerWaalsContact OD1-N 3.13Å; D372-K375 HydrophobicContact CB-CB 4.05Å; D372-K375 HydrophobicContact CB-CD 4.13Å; D372-K375 HydrophobicContact CB-CG 4.2Å; D372-K375 VanDerWaalsContact CG-CG 3.49Å; D372-K375 PolarHBondContact O-N 3.38Å; D372-K375 PolarHBondContact OD1-N 2.76Å; D372-K375 VanDerWaalsContact OD2-CD 3.23Å; D372-K375 WeakPolarHBondContact OD2-CD 3.35Å; D372-K375 VanDerWaalsContact OD2-CE 3.26Å; D372-K375 WeakPolarHBondContact OD2-CE 3.14Å; D372-K375 WeakPolarHBondContact OD2-CG 3.29Å; D372-K375 IonicContact OD2-NZ 3.73Å; D372-L376 WeakPolarHBondContact O-CB 3.4Å; D372-L376 PolarHBondContact O-N 2.86Å; D372-M381 HydrophobicContact CB-SD 4.33Å
373	W	96.9	Very high	94.5	Very high	39 Å²	39	75.1 Å²	75.1	15%	0.148	34%	0.344	C	S	.	.	H	α-helix	trans	-59.7	-30.7	-175.5	-63.7	92.8	0	0	0	114	A216 A219 L220 K363 F368 I371 Y377	A216-W373 HydrophobicContact CB-CH2 3.81Å; A216-W373 HydrophobicContact CB-CZ3 3.83Å; A216-W373 WeakPolarHBondContact O-CZ3 3.5Å; A219-W373 HydrophobicContact CB-CH2 4.33Å; A219-W373 HydrophobicContact CB-CZ3 4.19Å; L220-W373 HydrophobicContact CD1-CE3 4.2Å; L220-W373 HydrophobicContact CD2-CE3 3.93Å; L220-W373 HydrophobicContact CD2-CZ3 4.48Å; L220-W373 HydrophobicContact CG-CE3 3.88Å; L220-W373 HydrophobicContact CG-CZ3 4.13Å; K363-W373 VanDerWaalsContact CA-CZ2 3.45Å; K363-W373 HydrophobicContact CB-CD2 4.22Å; K363-W373 HydrophobicContact CB-CH2 4.34Å; K363-W373 HydrophobicContact CB-CZ2 3.71Å; K363-W373 HydrophobicContact CD-CD2 3.85Å; K363-W373 HydrophobicContact CD-CE3 4Å; K363-W373 HydrophobicContact CD-CG 4.21Å; K363-W373 HydrophobicContact CD-CZ3 4.4Å; K363-W373 HydrophobicContact CG-CD2 3.81Å; K363-W373 HydrophobicContact CG-CE3 3.96Å; K363-W373 HydrophobicContact CG-CH2 3.79Å; K363-W373 HydrophobicContact CG-CZ2 3.65Å; K363-W373 HydrophobicContact CG-CZ3 3.93Å; F368-W373 HydrophobicContact CB-CH2 4.46Å; F368-W373 HydrophobicContact CB-CZ2 3.65Å; F368-W373 HydrophobicContact CD1-CH2 4.14Å; F368-W373 HydrophobicContact CD1-CZ2 4.14Å; F368-W373 HydrophobicContact CD2-CZ2 4.44Å; F368-W373 HydrophobicContact CG-CH2 4.19Å; F368-W373 AromaticContact CG-CZ2 3.85Å; F368-W373 HydrophobicContact CG-CZ2 3.85Å; I371-W373 HydrophobicContact CG2-CD2 3.99Å; I371-W373 HydrophobicContact CG2-CE3 4.37Å; I371-W373 HydrophobicContact CG2-CG 4.27Å; I371-W373 HydrophobicContact CG2-CZ2 4.35Å; I371-W373 PolarHBondContact O-N 3.22Å; W373-Y377 WeakPolarHBondContact O-CB 3.33Å; W373-Y377 PolarHBondContact O-N 3.48Å
374	N	96.6	Very high	93.7	Very high	113 Å²	113	76.3 Å²	76.3	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-76	-44.9	-180	-72.9	-39.3	0	0	0	111.1	D372 L376 Y377 R378	D372-N374 PolarHBondContact O-N 2.57Å; D372-N374 PolarHBondContact OD1-N 3.08Å; D372-N374 VanDerWaalsContact OD1-N 3.13Å; N374-L376 VanDerWaalsContact C-N 3.3Å; N374-Y377 PolarHBondContact O-N 2.89Å; N374-R378 PolarHBondContact O-N 2.91Å; N374-R378 VanDerWaalsContact O-N 3.15Å
375	K	97	Very high	92.7	Very high	98 Å²	98	70.4 Å²	70.4	43%	0.426	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-39.9	173.1	-69.5	-175.1	-176.2	176	0	111.2	D372 R378 K379 E380 M381	D372-K375 HydrophobicContact CB-CB 4.05Å; D372-K375 HydrophobicContact CB-CD 4.13Å; D372-K375 HydrophobicContact CB-CG 4.2Å; D372-K375 VanDerWaalsContact CG-CG 3.49Å; D372-K375 PolarHBondContact O-N 3.38Å; D372-K375 PolarHBondContact OD1-N 2.76Å; D372-K375 VanDerWaalsContact OD2-CD 3.23Å; D372-K375 WeakPolarHBondContact OD2-CD 3.35Å; D372-K375 VanDerWaalsContact OD2-CE 3.26Å; D372-K375 WeakPolarHBondContact OD2-CE 3.14Å; D372-K375 WeakPolarHBondContact OD2-CG 3.29Å; D372-K375 IonicContact OD2-NZ 3.73Å; K375-R378 CarbonylContact O-C 3.58Å; K375-R378 PolarHBondContact O-N 2.88Å; K375-K379 PolarHBondContact O-N 2.87Å; K375-K379 VanDerWaalsContact O-N 3.16Å; K375-E380 HydrophobicContact CB-CB 4.09Å; K375-E380 HydrophobicContact CG-CB 4.5Å; K375-E380 WeakPolarHBondContact CG-OE2 3.46Å; K375-E380 PolarHBondContact O-N 2.86Å; K375-M381 HydrophobicContact CB-CG 3.87Å
376	L	96.5	Very high	91.7	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.1	-50.7	176	-169.7	67.6	0	0	0	110.6	F170 F213 A216 E217 L220 I371 D372 N374 R378 K379 M381	F170-L376 HydrophobicContact CE2-CG 4.48Å; F170-L376 HydrophobicContact CZ-CG 4.34Å; F170-L376 VanDerWaalsContact CZ-O 3.24Å; F170-L376 WeakPolarHBondContact CZ-O 3.35Å; F213-L376 HydrophobicContact CD2-CD1 4.18Å; F213-L376 HydrophobicContact CE2-CD1 3.66Å; F213-L376 HydrophobicContact CZ-CD1 3.91Å; A216-L376 HydrophobicContact CB-CD2 3.4Å; E217-L376 HydrophobicContact CG-CD1 3.78Å; E217-L376 HydrophobicContact CG-CD2 4.07Å; E217-L376 HydrophobicContact CG-CG 4.03Å; L220-L376 HydrophobicContact CD1-CB 4.4Å; L220-L376 HydrophobicContact CD1-CD2 3.99Å; L220-L376 HydrophobicContact CD1-CG 4.22Å; I371-L376 HydrophobicContact CG2-CD2 3.9Å; D372-L376 WeakPolarHBondContact O-CB 3.4Å; D372-L376 PolarHBondContact O-N 2.86Å; N374-L376 VanDerWaalsContact C-N 3.3Å; L376-R378 PolarHBondContact O-N 3.44Å; L376-K379 WeakPolarHBondContact O-CA 3.46Å; L376-K379 PolarHBondContact O-N 3.4Å; L376-M381 HydrophobicContact CB-SD 4.05Å; L376-M381 HydrophobicContact CD1-CB 4.18Å; L376-M381 HydrophobicContact CD1-SD 4.22Å
377	Y	96.6	Very high	90.5	Very high	109 Å²	109	66 Å²	66	43%	0.427	32%	0.32	S	S	.	.	H	α-helix	trans	-55.9	-37.9	177.4	-175.8	-89.8	0	0	0	113.1	H168 P169 W373 N374 K379	H168-Y377 AromaticContact CD2-CE2 3.68Å; H168-Y377 AromaticContact NE2-CD2 3.81Å; H168-Y377 AromaticContact NE2-CE2 3.36Å; H168-Y377 WeakPolarHBondContact NE2-CE2 3.5Å; P169-Y377 HydrophobicContact CG-CD2 4.14Å; P169-Y377 HydrophobicContact CG-CE2 4.01Å; P169-Y377 HydrophobicContact CG-CG 4.49Å; P169-Y377 WeakPolarHBondContact CG-O 3.4Å; W373-Y377 WeakPolarHBondContact O-CB 3.33Å; W373-Y377 PolarHBondContact O-N 3.48Å; N374-Y377 PolarHBondContact O-N 2.89Å; Y377-K379 PolarHBondContact O-N 3.41Å
378	R	96.1	Very high	88.8	Confident	134 Å²	134	66.5 Å²	66.5	51%	0.506	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.9	176.4	-65.7	-167.9	-57.7	-88.2	-8.3	114.3	N374 K375 L376 E380	N374-R378 PolarHBondContact O-N 2.91Å; N374-R378 VanDerWaalsContact O-N 3.15Å; K375-R378 CarbonylContact O-C 3.58Å; K375-R378 PolarHBondContact O-N 2.88Å; L376-R378 PolarHBondContact O-N 3.44Å; R378-E380 HydrophobicContact CB-CG 3.96Å; R378-E380 IonicContact CZ-OE1 3.49Å; R378-E380 IonicContact CZ-OE2 3.8Å; R378-E380 VanDerWaalsContact NE-CD 3.32Å; R378-E380 IonicContact NE-OE1 3.82Å; R378-E380 PolarHBondContact NE-OE1 3.24Å; R378-E380 IonicContact NE-OE2 3.86Å; R378-E380 PolarHBondContact NE-OE2 2.82Å; R378-E380 IonicContact NH2-OE1 3.66Å; R378-E380 IonicContact NH2-OE2 2.95Å; R378-E380 PolarHBondContact NH2-OE2 2.77Å; R378-E380 PolarHBondContact O-N 3.48Å
379	K	95.4	Very high	87	Confident	64 Å²	64	68.8 Å²	68.8	28%	0.278	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	31	-175.1	-61.1	-172.7	172.2	-165.7	0	113.9	F170 D243 K375 L376 Y377	F170-K379 HydrophobicContact CE1-CG 4.07Å; F170-K379 HydrophobicContact CZ-CG 4.33Å; D243-K379 IonicContact OD2-NZ 3.69Å; D243-K379 PolarHBondContact OD2-NZ 2.94Å; K375-K379 PolarHBondContact O-N 2.87Å; K375-K379 VanDerWaalsContact O-N 3.16Å; L376-K379 WeakPolarHBondContact O-CA 3.46Å; L376-K379 PolarHBondContact O-N 3.4Å; Y377-K379 PolarHBondContact O-N 3.41Å
380	E	93.1	Very high	85.4	Confident	110 Å²	110	65.6 Å²	65.6	51%	0.514	31%	0.312	S	S	.	.			trans	-87.1	-14.2	177.9	-68.3	169.6	-173.4	0	0	112.5	K375 R378	K375-E380 HydrophobicContact CB-CB 4.09Å; K375-E380 HydrophobicContact CG-CB 4.5Å; K375-E380 WeakPolarHBondContact CG-OE2 3.46Å; K375-E380 PolarHBondContact O-N 2.86Å; R378-E380 HydrophobicContact CB-CG 3.96Å; R378-E380 IonicContact CZ-OE1 3.49Å; R378-E380 IonicContact CZ-OE2 3.8Å; R378-E380 VanDerWaalsContact NE-CD 3.32Å; R378-E380 IonicContact NE-OE1 3.82Å; R378-E380 PolarHBondContact NE-OE1 3.24Å; R378-E380 IonicContact NE-OE2 3.86Å; R378-E380 PolarHBondContact NE-OE2 2.82Å; R378-E380 IonicContact NH2-OE1 3.66Å; R378-E380 IonicContact NH2-OE2 2.95Å; R378-E380 PolarHBondContact NH2-OE2 2.77Å; R378-E380 PolarHBondContact O-N 3.48Å
381	M	89.1	Confident	83.9	Confident	46 Å²	46	65.1 Å²	65.1	23%	0.227	30%	0.299	C	S	.	.	S	Bend	trans	-85	127.9	173.1	-66.9	-169.1	65.1	0	0	110	F213 H247 I371 D372 K375 L376 P383	F213-M381 HydrophobicContact CE2-CB 3.92Å; H247-M381 PolarHBondContact CE1-O 3.11Å; I371-M381 HydrophobicContact CD1-CE 4.28Å; D372-M381 HydrophobicContact CB-SD 4.33Å; K375-M381 HydrophobicContact CB-CG 3.87Å; L376-M381 HydrophobicContact CB-SD 4.05Å; L376-M381 HydrophobicContact CD1-CB 4.18Å; L376-M381 HydrophobicContact CD1-SD 4.22Å; M381-P383 WeakPolarHBondContact O-CD 3.44Å
382	R	83.5	Confident	82.1	Confident	215 Å²	215	68.1 Å²	68.1	81%	0.811	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-64.9	124.9	179.9	-175.4	177.6	177.9	-178.4	-0.2	110.7
383	P	86	Confident	80.5	Confident	16 Å²	16	68.2 Å²	68.2	10%	0.104	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.3	146.5	173.2	-27	37	0	0	0	112.7	F213 H247 M381 F385	F213-P383 HydrophobicContact CE1-CB 4.05Å; F213-P383 HydrophobicContact CE1-CG 4.35Å; F213-P383 HydrophobicContact CZ-CB 4.1Å; F213-P383 HydrophobicContact CZ-CG 4.06Å; H247-P383 VanDerWaalsContact CE1-CG 3.45Å; H247-P383 WeakPolarHBondContact CE1-CG 3.44Å; H247-P383 WeakPolarHBondContact NE2-CG 3.47Å; M381-P383 WeakPolarHBondContact O-CD 3.44Å; P383-F385 PolarHBondContact O-N 2.57Å
384	P	79.1	Confident	79.1	Confident	57 Å²	57	67.1 Å²	67.1	37%	0.37	32%	0.315	S	S	.	.	S	Bend	trans	-59.4	-31.9	176.1	-22.1	30.4	0	0	0	112.9	D210 F213 Y214	D210-P384 HydrophobicContact CB-CB 4.23Å; D210-P384 HydrophobicContact CB-CG 4.35Å; D210-P384 WeakPolarHBondContact OD1-CB 3.45Å; F213-P384 HydrophobicContact CB-CG 3.74Å; F213-P384 HydrophobicContact CD1-CG 3.92Å; F213-P384 HydrophobicContact CD2-CG 4.49Å; F213-P384 VanDerWaalsContact CG-CD 3.48Å; F213-P384 HydrophobicContact CG-CG 3.8Å; Y214-P384 HydrophobicContact CE2-CG 4.39Å
385	F	74.6	Confident	77.6	Confident	22 Å²	22	62 Å²	62	10%	0.096	29%	0.288	C	S	.	.			trans	-134	127.3	179.1	171.5	-103	0	0	0	109.9	R199 L242 G246 P383 P387	R199-F385 HydrophobicContact CG-CE1 4.4Å; R199-F385 VanDerWaalsContact NE-CZ 3.29Å; R199-F385 VanDerWaalsContact NH2-CE2 3.28Å; L242-F385 HydrophobicContact CD1-CD1 4.4Å; G246-F385 WeakPolarHBondContact CA-O 3.48Å; P383-F385 PolarHBondContact O-N 2.57Å; F385-P387 HydrophobicContact CD1-CG 4.22Å; F385-P387 HydrophobicContact CE1-CB 3.97Å; F385-P387 HydrophobicContact CE1-CG 3.74Å; F385-P387 HydrophobicContact CZ-CB 4.38Å
386	K	76.7	Confident	75.9	Confident	116 Å²	116	60.8 Å²	60.8	50%	0.504	28%	0.283	S	S	.	.			trans	-100.7	124	167.4	-176.8	168.2	-176.8	171.5	0	108.5	R515	K386-R515 PolarHBondContact O-NH2 2.81Å
387	P	70.1	Confident	74.4	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.013	29%	0.287	C	S	.	.			trans	-62.7	141.3	176.7	-23.5	33.7	0	0	0	112.6	L242 D243 G246 F385 V389	L242-P387 HydrophobicContact CB-CG 4.35Å; D243-P387 WeakPolarHBondContact O-CG 3.44Å; G246-P387 VanDerWaalsContact CA-CD 3.44Å; F385-P387 HydrophobicContact CD1-CG 4.22Å; F385-P387 HydrophobicContact CE1-CB 3.97Å; F385-P387 HydrophobicContact CE1-CG 3.74Å; F385-P387 HydrophobicContact CZ-CB 4.38Å; P387-V389 HydrophobicContact CB-CG1 4.42Å; P387-V389 PolarHBondContact O-N 2.86Å
388	T	62.2	Low	72.9	Confident	15 Å²	15	58.1 Å²	58.1	9%	0.092	27%	0.274	C	S	.	.			trans	-73.6	112.9	168.9	-62.3	0	0	0	0	108.9	H397 E511 L514 R515	T388-H397 PolarHBondContact O-NE2 3.05Å; T388-E511 WeakPolarHBondContact CB-OE1 3.17Å; T388-E511 HydrophobicContact CG2-CG 4.31Å; T388-E511 VanDerWaalsContact OG1-CD 3.28Å; T388-E511 VanDerWaalsContact OG1-CG 3.28Å; T388-E511 WeakPolarHBondContact OG1-CG 3.2Å; T388-E511 PolarHBondContact OG1-OE1 2.88Å; T388-L514 HydrophobicContact CG2-CB 4.36Å; T388-L514 HydrophobicContact CG2-CD1 4.35Å; T388-R515 PolarHBondContact OG1-NE 2.85Å; T388-R515 PolarHBondContact OG1-NH2 2.82Å
389	V	59.8	Low	71.5	Confident	49 Å²	49	54.5 Å²	54.5	30%	0.297	26%	0.264	S	S	.	.			trans	-114.4	120.6	-178.7	-74.5	0	0	0	0	109	R192 E244 P387	R192-V389 HydrophobicContact CB-CG1 4.06Å; E244-V389 HydrophobicContact CB-CG1 4Å; E244-V389 HydrophobicContact CB-CG2 4.36Å; P387-V389 HydrophobicContact CB-CG1 4.42Å; P387-V389 PolarHBondContact O-N 2.86Å
390	G	58.8	Low	70	Confident	19 Å²	19	54.9 Å²	54.9	20%	0.196	27%	0.273	C	S	.	.			trans	-83.1	-138	173.4	0	0	0	0	0	112.1	R192 D394	R192-G390 PolarHBondContact NH2-O 3.12Å; G390-D394 VanDerWaalsContact C-OD2 3.27Å; G390-D394 WeakPolarHBondContact CA-OD2 3.49Å
391	R	59.7	Low	68.7	Low	65 Å²	65	53.6 Å²	53.6	25%	0.245	27%	0.267	C	S	.	.	S	Bend	trans	-49.3	148.4	168.7	-65.8	178.8	173.8	157.1	-0.2	110.5	R192 E393 D394 A455 I458	R192-R391 VanDerWaalsContact NH2-C 3.25Å; R192-R391 PolarHBondContact NH2-O 2.99Å; R391-E393 PolarHBondContact O-N 3.07Å; R391-D394 WeakPolarHBondContact CB-OD2 3.15Å; R391-D394 PolarHBondContact N-OD2 3.26Å; R391-D394 VanDerWaalsContact O-CB 3.28Å; R391-D394 WeakPolarHBondContact O-CB 3.42Å; R391-D394 PolarHBondContact O-N 2.73Å; R391-A455 PolarHBondContact NE-O 3.14Å; R391-I458 PolarHBondContact NH1-O 3.42Å
392	P	59.3	Low	67.7	Low	79 Å²	79	52.2 Å²	52.2	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-30.3	-179.6	-30.4	36.3	0	0	0	115.4	L137 R192	L137-P392 VanDerWaalsContact CD1-C 3.44Å; L137-P392 HydrophobicContact CD1-CB 3.76Å; L137-P392 WeakPolarHBondContact CD1-O 3.28Å; R192-P392 PolarHBondContact NE-O 3.24Å; R192-P392 VanDerWaalsContact NE-O 3.17Å
393	E	63.3	Low	67.2	Low	65 Å²	65	43.1 Å²	43.1	30%	0.304	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.9	-176.5	-60.9	167	-112.3	0	0	114.4	L112 R127 L137 R391	L112-E393 HydrophobicContact CD1-CG 4.02Å; R127-E393 IonicContact CZ-OE1 2.74Å; R127-E393 IonicContact NH2-OE1 3.72Å; R127-E393 PolarHBondContact NH2-OE1 3.31Å; R127-E393 IonicContact NH2-OE2 3.66Å; R127-E393 PolarHBondContact NH2-OE2 3.31Å; L137-E393 HydrophobicContact CD1-CG 3.97Å; L137-E393 HydrophobicContact CD2-CG 4.28Å; R391-E393 PolarHBondContact O-N 3.07Å
394	D	68.6	Low	66.4	Low	15 Å²	15	47.2 Å²	47.2	8%	0.08	26%	0.257	C	S	.	.			trans	-69.2	138.6	-175.8	-71.8	-18.4	0	0	0	111.5	G390 R391 F396	G390-D394 VanDerWaalsContact C-OD2 3.27Å; G390-D394 WeakPolarHBondContact CA-OD2 3.49Å; R391-D394 WeakPolarHBondContact CB-OD2 3.15Å; R391-D394 PolarHBondContact N-OD2 3.26Å; R391-D394 VanDerWaalsContact O-CB 3.28Å; R391-D394 WeakPolarHBondContact O-CB 3.42Å; R391-D394 PolarHBondContact O-N 2.73Å; D394-F396 HydrophobicContact CB-CD1 4.19Å; D394-F396 HydrophobicContact CB-CD2 4.27Å; D394-F396 HydrophobicContact CB-CE1 3.65Å; D394-F396 HydrophobicContact CB-CE2 3.76Å; D394-F396 HydrophobicContact CB-CG 4.46Å; D394-F396 HydrophobicContact CB-CZ 3.42Å; D394-F396 VanDerWaalsContact CB-CZ 3.42Å; D394-F396 WeakPolarHBondContact OD2-CZ 3.33Å
395	T	63.7	Low	66	Low	7 Å²	7	48.9 Å²	48.9	4%	0.043	26%	0.256	C	S	.	.			trans	-122.1	32.3	-173.1	57.4	0	0	0	0	112.3	K113 L115 L125 F190 H397 F398 T403	K113-T395 HydrophobicContact CD-CG2 3.81Å; L115-T395 HydrophobicContact CD2-CG2 3.65Å; L125-T395 HydrophobicContact CD2-CG2 4.03Å; F190-T395 HydrophobicContact CZ-CG2 4.44Å; T395-H397 PolarHBondContact O-N 3.28Å; T395-H397 VanDerWaalsContact O-N 3.12Å; T395-F398 HydrophobicContact CG2-CD2 4.14Å; T395-F398 WeakPolarHBondContact O-CB 3.38Å; T395-F398 PolarHBondContact O-N 3.33Å; T395-T403 HydrophobicContact CG2-CG2 4.46Å; T395-T403 WeakPolarHBondContact OG1-CG2 3.45Å
396	F	62	Low	65.7	Low	72 Å²	72	53 Å²	53	32%	0.316	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.2	-173.6	-46.6	-35.2	0	0	0	114.4	D394 F398 I458	D394-F396 HydrophobicContact CB-CD1 4.19Å; D394-F396 HydrophobicContact CB-CD2 4.27Å; D394-F396 HydrophobicContact CB-CE1 3.65Å; D394-F396 HydrophobicContact CB-CE2 3.76Å; D394-F396 HydrophobicContact CB-CG 4.46Å; D394-F396 HydrophobicContact CB-CZ 3.42Å; D394-F396 VanDerWaalsContact CB-CZ 3.42Å; D394-F396 WeakPolarHBondContact OD2-CZ 3.33Å; F396-F398 VanDerWaalsContact C-N 3.33Å; F396-I458 HydrophobicContact CD1-CD1 4.35Å; F396-I458 HydrophobicContact CE1-CB 3.97Å; F396-I458 HydrophobicContact CE1-CD1 3.62Å; F396-I458 HydrophobicContact CE1-CG1 3.94Å; F396-I458 HydrophobicContact CE1-CG2 4.12Å; F396-I458 HydrophobicContact CE2-CD1 4Å; F396-I458 HydrophobicContact CE2-CG1 4.33Å; F396-I458 HydrophobicContact CZ-CB 3.88Å; F396-I458 HydrophobicContact CZ-CD1 3.4Å; F396-I458 HydrophobicContact CZ-CG1 3.49Å; F396-I458 VanDerWaalsContact CZ-CG1 3.49Å
397	H	63.9	Low	65.5	Low	20 Å²	20	49.4 Å²	49.4	9%	0.093	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1	177.8	-56.7	-69.4	0	0	0	113	R192 T388 T395	R192-H397 PolarHBondContact O-CD2 3.23Å; T388-H397 PolarHBondContact O-NE2 3.05Å; T395-H397 PolarHBondContact O-N 3.28Å; T395-H397 VanDerWaalsContact O-N 3.12Å
398	F	66.8	Low	65.6	Low	33 Å²	33	52.8 Å²	52.8	15%	0.145	29%	0.293	C	S	.	.	S	Bend	trans	-100.9	152.6	175	-63.8	-93.3	0	0	0	110.9	L115 F190 L191 T395 F396 P400 T403	L115-F398 HydrophobicContact CB-CD1 3.97Å; L115-F398 HydrophobicContact CB-CE1 4.04Å; L115-F398 HydrophobicContact CD1-CE1 4.2Å; L115-F398 HydrophobicContact CD1-CZ 4.33Å; L115-F398 HydrophobicContact CD2-CD1 3.85Å; L115-F398 HydrophobicContact CD2-CD2 4.05Å; L115-F398 HydrophobicContact CD2-CE1 3.94Å; L115-F398 HydrophobicContact CD2-CE2 4.14Å; L115-F398 HydrophobicContact CD2-CG 3.9Å; L115-F398 HydrophobicContact CD2-CZ 4.09Å; L115-F398 HydrophobicContact CG-CD1 4.4Å; L115-F398 HydrophobicContact CG-CE1 4.28Å; F190-F398 HydrophobicContact CD2-CZ 4.43Å; F190-F398 AromaticContact CE2-CE2 3.72Å; F190-F398 HydrophobicContact CE2-CE2 3.72Å; F190-F398 AromaticContact CE2-CZ 3.66Å; F190-F398 HydrophobicContact CE2-CZ 3.66Å; F190-F398 HydrophobicContact CZ-CE2 4.09Å; F190-F398 HydrophobicContact CZ-CZ 4.46Å; L191-F398 WeakPolarHBondContact O-CZ 3.48Å; T395-F398 HydrophobicContact CG2-CD2 4.14Å; T395-F398 WeakPolarHBondContact O-CB 3.38Å; T395-F398 PolarHBondContact O-N 3.33Å; F396-F398 VanDerWaalsContact C-N 3.33Å; F398-P400 WeakPolarHBondContact O-CD 3.3Å; F398-T403 HydrophobicContact CB-CG2 3.65Å
399	D	65.9	Low	65.7	Low	57 Å²	57	54.4 Å²	54.4	31%	0.305	30%	0.3	S	S	.	.			trans	-68.1	120.7	-175.4	-178.6	-15	0	0	0	111.1	E401 F402 T403 K780	D399-E401 PolarHBondContact O-N 3.5Å; D399-E401 VanDerWaalsContact O-N 3.09Å; D399-E401 WeakPolarHBondContact OD1-CB 3.42Å; D399-E401 PolarHBondContact OD1-N 2.75Å; D399-E401 VanDerWaalsContact OD1-N 3.09Å; D399-F402 HydrophobicContact CB-CD2 3.82Å; D399-F402 HydrophobicContact CB-CE2 4.06Å; D399-F402 PolarHBondContact O-N 2.82Å; D399-T403 PolarHBondContact O-N 3.18Å; D399-K780 IonicContact OD2-NZ 3.58Å; D399-K780 PolarHBondContact OD2-NZ 3.36Å
400	P	63.2	Low	65.8	Low	73 Å²	73	54.6 Å²	54.6	47%	0.474	30%	0.304	S	S	.	.	H	α-helix	trans	-55.5	-27	-178	-27.5	35.6	0	0	0	114.2	F398 F402 T403 S404	F398-P400 WeakPolarHBondContact O-CD 3.3Å; P400-F402 PolarHBondContact O-N 3.49Å; P400-F402 VanDerWaalsContact O-N 3.13Å; P400-T403 WeakPolarHBondContact CA-OG1 3.24Å; P400-T403 PolarHBondContact O-N 3.03Å; P400-S404 WeakPolarHBondContact O-CB 3.28Å; P400-S404 PolarHBondContact O-N 3.13Å; P400-S404 VanDerWaalsContact O-N 3.11Å; P400-S404 PolarHBondContact O-OG 2.84Å; P400-S404 VanDerWaalsContact O-OG 3.09Å
401	E	66.4	Low	65.7	Low	82 Å²	82	59.6 Å²	59.6	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-55.3	-31.8	175.8	-163.7	-157.9	145.7	0	0	111.9	D399 R405	D399-E401 PolarHBondContact O-N 3.5Å; D399-E401 VanDerWaalsContact O-N 3.09Å; D399-E401 WeakPolarHBondContact OD1-CB 3.42Å; D399-E401 PolarHBondContact OD1-N 2.75Å; D399-E401 VanDerWaalsContact OD1-N 3.09Å; E401-R405 WeakPolarHBondContact O-CG 3.4Å; E401-R405 PolarHBondContact O-NE 3Å; E401-R405 IonicContact OE1-CZ 2.82Å; E401-R405 IonicContact OE1-NH2 3.92Å; E401-R405 PolarHBondContact OE1-NH2 3.06Å
402	F	67.4	Low	65.4	Low	18 Å²	18	57.7 Å²	57.7	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-95.6	-46.1	177.2	-53.4	-68	0	0	0	112	V114 Q117 D399 P400 S404 R405	V114-F402 HydrophobicContact CG1-CB 4.3Å; V114-F402 CarbonylContact O-C 3.54Å; V114-F402 VanDerWaalsContact O-C 3.26Å; Q117-F402 HydrophobicContact CB-CD1 4.19Å; Q117-F402 HydrophobicContact CB-CE1 3.91Å; D399-F402 HydrophobicContact CB-CD2 3.82Å; D399-F402 HydrophobicContact CB-CE2 4.06Å; D399-F402 PolarHBondContact O-N 2.82Å; P400-F402 PolarHBondContact O-N 3.49Å; P400-F402 VanDerWaalsContact O-N 3.13Å; F402-S404 PolarHBondContact O-N 3.22Å; F402-R405 WeakPolarHBondContact O-CB 3.34Å; F402-R405 PolarHBondContact O-N 3.27Å
403	T	73.3	Confident	65.3	Low	24 Å²	24	60.2 Å²	60.2	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-22.4	-171.9	61	0	0	0	0	113.5	V114 T395 F398 D399 P400 R405	V114-T403 WeakPolarHBondContact O-CA 3.12Å; V114-T403 PolarHBondContact O-N 3.3Å; T395-T403 HydrophobicContact CG2-CG2 4.46Å; T395-T403 WeakPolarHBondContact OG1-CG2 3.45Å; F398-T403 HydrophobicContact CB-CG2 3.65Å; D399-T403 PolarHBondContact O-N 3.18Å; P400-T403 WeakPolarHBondContact CA-OG1 3.24Å; P400-T403 PolarHBondContact O-N 3.03Å; T403-R405 VanDerWaalsContact C-N 3.32Å
404	S	68.9	Low	64.9	Low	101 Å²	101	60.5 Å²	60.5	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-4.6	175.3	-56.4	0	0	0	0	113.7	P400 F402	P400-S404 WeakPolarHBondContact O-CB 3.28Å; P400-S404 PolarHBondContact O-N 3.13Å; P400-S404 VanDerWaalsContact O-N 3.11Å; P400-S404 PolarHBondContact O-OG 2.84Å; P400-S404 VanDerWaalsContact O-OG 3.09Å; F402-S404 PolarHBondContact O-N 3.22Å
405	R	72.4	Confident	64.2	Low	93 Å²	93	60.4 Å²	60.4	35%	0.351	35%	0.35	S	S	.	.	S	Bend	trans	-80.9	142.5	178	-60.7	-178.7	-174.1	-170.6	-2.7	110.6	V114 Q117 E401 F402 T403 P407	V114-R405 HydrophobicContact CG2-CB 4.24Å; Q117-R405 VanDerWaalsContact OE1-NH1 3.1Å; E401-R405 WeakPolarHBondContact O-CG 3.4Å; E401-R405 PolarHBondContact O-NE 3Å; E401-R405 IonicContact OE1-CZ 2.82Å; E401-R405 IonicContact OE1-NH2 3.92Å; E401-R405 PolarHBondContact OE1-NH2 3.06Å; F402-R405 WeakPolarHBondContact O-CB 3.34Å; F402-R405 PolarHBondContact O-N 3.27Å; T403-R405 VanDerWaalsContact C-N 3.32Å; R405-P407 WeakPolarHBondContact O-CD 3.23Å
406	T	68.4	Low	63.7	Low	109 Å²	109	64.3 Å²	64.3	67%	0.669	38%	0.377	S	S	*	.			trans	-59.1	123.3	172.4	-41.8	0	0	0	0	110.1	T408	T406-T408 VanDerWaalsContact C-N 3.31Å; T406-T408 HydrophobicContact CG2-CG2 3.95Å; T406-T408 PolarHBondContact O-N 3.15Å; T406-T408 PolarHBondContact O-OG1 3.22Å
407	P	71.9	Confident	63.2	Low	39 Å²	39	64.4 Å²	64.4	25%	0.253	39%	0.391	S	S	.	.			trans	-74	83.1	-176.4	33	-39	0	0	0	110.5	L111 L112 V114 R405	L111-P407 HydrophobicContact CB-CB 4.17Å; L112-P407 WeakPolarHBondContact O-CG 3.46Å; V114-P407 HydrophobicContact CG2-CB 4.38Å; R405-P407 WeakPolarHBondContact O-CD 3.23Å
408	T	71.3	Confident	62.5	Low	74 Å²	74	70 Å²	70	45%	0.454	42%	0.421	S	S	.	.			trans	-114.7	125.9	-179.1	51.1	0	0	0	0	111.4	T406	T406-T408 VanDerWaalsContact C-N 3.31Å; T406-T408 HydrophobicContact CG2-CG2 3.95Å; T406-T408 PolarHBondContact O-N 3.15Å; T406-T408 PolarHBondContact O-OG1 3.22Å
409	D	64.8	Low	61.6	Low	48 Å²	48	68.7 Å²	68.7	26%	0.257	42%	0.416	S	S	.	.			trans	-94.2	87	172.4	-172.3	26.9	0	0	0	110.9	L111 K183 Y185	L111-D409 HydrophobicContact CD1-CB 3.92Å; K183-D409 IonicContact NZ-OD1 2.87Å; K183-D409 PolarHBondContact NZ-OD1 3.29Å; K183-D409 IonicContact NZ-OD2 2.72Å; K183-D409 PolarHBondContact NZ-OD2 3.42Å; Y185-D409 PolarHBondContact OH-OD2 3.28Å
410	S	63	Low	61.1	Low	53 Å²	53	69.2 Å²	69.2	37%	0.371	42%	0.417	S	S	.	.			trans	-61.6	141.2	-176.7	-39.7	0	0	0	0	112.6	K183	K183-S410 WeakPolarHBondContact CE-O 3.21Å; K183-S410 PolarHBondContact NZ-O 2.98Å
411	P	55.8	Low	60.7	Low	124 Å²	124	71.9 Å²	71.9	81%	0.805	42%	0.423	S	S	*	.			trans	-52.1	142.3	-178.7	-24.7	32.4	0	0	0	113.4
412	G	53.8	Low	60	Low	26 Å²	26	71.1 Å²	71.1	27%	0.268	42%	0.421	S	S	.	.			trans	-105.5	130.5	178.7	0	0	0	0	0	110.7
413	I	56.4	Low	59.5	Low	131 Å²	131	70.2 Å²	70.2	67%	0.672	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-66.4	133.5	177.7	-55.1	170.4	0	0	0	109.2
414	P	54.2	Low	58.9	Low	71 Å²	71	75.5 Å²	75.5	46%	0.461	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60.6	136.3	176.8	-19.2	29.8	0	0	0	111.2	E181	E181-P414 HydrophobicContact CB-CB 4.47Å
415	P	53.8	Low	58.2	Low	14 Å²	14	72 Å²	72	9%	0.091	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-77	160.1	174.5	35.3	-36.9	0	0	0	111.5	K145 E181 T419 H420	K145-P415 HydrophobicContact CB-CB 4.32Å; K145-P415 HydrophobicContact CB-CG 3.93Å; K145-P415 HydrophobicContact CD-CG 4.03Å; E181-P415 WeakPolarHBondContact O-CD 3.29Å; P415-T419 HydrophobicContact CB-CG2 3.49Å; P415-T419 VanDerWaalsContact CB-CG2 3.49Å; P415-T419 HydrophobicContact CG-CG2 3.75Å; P415-H420 PolarHBondContact O-CD2 2.89Å
416	S	54.9	Low	57.9	Low	89 Å²	89	67.6 Å²	67.6	62%	0.622	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-60.1	148.9	176.6	57.5	0	0	0	0	112.9	N418 T419	S416-N418 PolarHBondContact O-N 2.86Å; S416-N418 VanDerWaalsContact O-N 3.1Å; S416-T419 WeakPolarHBondContact O-CA 3.29Å; S416-T419 WeakPolarHBondContact O-CB 3.45Å; S416-T419 PolarHBondContact O-N 3.16Å; S416-T419 PolarHBondContact O-OG1 2.87Å; S416-T419 VanDerWaalsContact O-OG1 3.13Å
417	A	49.9	Very low	57.9	Low	73 Å²	73	64.6 Å²	64.6	60%	0.603	38%	0.381	S	S	*	.	H	α-helix	trans	-47.2	-45.6	-167.7	0	0	0	0	0	115.6	T419 H420	A417-T419 PolarHBondContact O-N 3.29Å; A417-H420 WeakPolarHBondContact O-CB 3.49Å; A417-H420 PolarHBondContact O-N 2.88Å
418	N	50	Low	58	Low	137 Å²	137	65.5 Å²	65.5	73%	0.733	38%	0.381	S	S	*	.	H	α-helix	trans	-56.9	-21.9	177.2	-72	2.2	0	0	0	113.3	S416	S416-N418 PolarHBondContact O-N 2.86Å; S416-N418 VanDerWaalsContact O-N 3.1Å
419	T	48.1	Very low	57.9	Low	6 Å²	6	63.9 Å²	63.9	4%	0.037	37%	0.371	C	S	.	.	H	α-helix	trans	-77.6	-32.2	175.6	-52.5	0	0	0	0	113.1	R153 P415 S416 A417 Q421 L422 F423	R153-T419 PolarHBondContact NH1-OG1 3.41Å; P415-T419 HydrophobicContact CB-CG2 3.49Å; P415-T419 VanDerWaalsContact CB-CG2 3.49Å; P415-T419 HydrophobicContact CG-CG2 3.75Å; S416-T419 WeakPolarHBondContact O-CA 3.29Å; S416-T419 WeakPolarHBondContact O-CB 3.45Å; S416-T419 PolarHBondContact O-N 3.16Å; S416-T419 PolarHBondContact O-OG1 2.87Å; S416-T419 VanDerWaalsContact O-OG1 3.13Å; A417-T419 PolarHBondContact O-N 3.29Å; T419-Q421 VanDerWaalsContact C-N 3.31Å; T419-Q421 PolarHBondContact O-N 2.95Å; T419-L422 PolarHBondContact O-N 2.68Å; T419-F423 HydrophobicContact CG2-CD2 4.45Å; T419-F423 HydrophobicContact CG2-CE2 3.95Å; T419-F423 WeakPolarHBondContact O-CD2 3.39Å
420	H	54.2	Low	58.1	Low	69 Å²	69	62.5 Å²	62.5	32%	0.319	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-34.7	-179.9	-89.3	-97.4	0	0	0	112.1	P415 A417 L422 F423	P415-H420 PolarHBondContact O-CD2 2.89Å; A417-H420 WeakPolarHBondContact O-CB 3.49Å; A417-H420 PolarHBondContact O-N 2.88Å; H420-L422 VanDerWaalsContact C-N 3.31Å; H420-L422 PolarHBondContact O-N 2.64Å; H420-F423 PolarHBondContact O-N 2.83Å
421	Q	54.9	Low	57.4	Low	129 Å²	129	63.5 Å²	63.5	60%	0.603	37%	0.37	S	S	*	.	H	α-helix	trans	-63.2	-33.5	-179.5	-66.8	-178.6	3.8	0	0	113.1	T419 F423 R424	T419-Q421 VanDerWaalsContact C-N 3.31Å; T419-Q421 PolarHBondContact O-N 2.95Å; Q421-F423 VanDerWaalsContact C-N 3.27Å; Q421-F423 PolarHBondContact O-N 3.48Å; Q421-R424 PolarHBondContact O-N 2.73Å
422	L	52.8	Low	56.5	Low	65 Å²	65	61.8 Å²	61.8	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-66.8	-28.8	-177.2	-167.8	67.5	0	0	0	112.8	R153 V154 K157 T419 H420	R153-L422 HydrophobicContact CB-CD2 3.65Å; V154-L422 HydrophobicContact CG2-CD2 4.3Å; K157-L422 PolarHBondContact NZ-O 2.97Å; T419-L422 PolarHBondContact O-N 2.68Å; H420-L422 VanDerWaalsContact C-N 3.31Å; H420-L422 PolarHBondContact O-N 2.64Å
423	F	56.9	Low	55.6	Low	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8.7	-178.6	-59.2	-67	0	0	0	113.9	K145 L148 R153 Q179 L184 T419 H420 Q421 G425 F426	K145-F423 HydrophobicContact CD-CD2 4.24Å; K145-F423 HydrophobicContact CD-CE2 4.29Å; K145-F423 HydrophobicContact CG-CE2 4.12Å; L148-F423 HydrophobicContact CD1-CZ 4.46Å; R153-F423 HydrophobicContact CB-CE1 4.02Å; R153-F423 HydrophobicContact CB-CE2 4.36Å; R153-F423 HydrophobicContact CB-CZ 3.51Å; R153-F423 HydrophobicContact CG-CE2 4.23Å; R153-F423 HydrophobicContact CG-CZ 3.63Å; Q179-F423 PolarHBondContact NE2-O 2.93Å; Q179-F423 VanDerWaalsContact OE1-CB 3.3Å; L184-F423 HydrophobicContact CD1-CD1 3.93Å; L184-F423 HydrophobicContact CD1-CE1 3.51Å; L184-F423 HydrophobicContact CD1-CZ 3.97Å; L184-F423 HydrophobicContact CD2-CB 4.48Å; L184-F423 HydrophobicContact CD2-CD1 3.97Å; L184-F423 HydrophobicContact CD2-CE1 4.34Å; L184-F423 HydrophobicContact CD2-CG 4.17Å; L184-F423 HydrophobicContact CG-CE1 4.45Å; T419-F423 HydrophobicContact CG2-CD2 4.45Å; T419-F423 HydrophobicContact CG2-CE2 3.95Å; T419-F423 WeakPolarHBondContact O-CD2 3.39Å; H420-F423 PolarHBondContact O-N 2.83Å; Q421-F423 VanDerWaalsContact C-N 3.27Å; Q421-F423 PolarHBondContact O-N 3.48Å; F423-G425 PolarHBondContact O-N 2.96Å; F423-F426 WeakPolarHBondContact O-CB 3.36Å; F423-F426 PolarHBondContact O-N 3.35Å
424	R	59.3	Low	54.4	Low	135 Å²	135	67.4 Å²	67.4	51%	0.509	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.2	169.6	-83.3	-172.8	167.3	169.8	-4.2	110.1	D92 K157 Q421	D92-R424 IonicContact OD1-CZ 3.77Å; D92-R424 IonicContact OD1-NE 3.65Å; D92-R424 IonicContact OD1-NH2 2.68Å; D92-R424 PolarHBondContact OD1-NH2 3.05Å; K157-R424 PolarHBondContact NZ-O 2.84Å; Q421-R424 PolarHBondContact O-N 2.73Å
425	G	56.1	Low	53.3	Low	28 Å²	28	72.3 Å²	72.3	29%	0.289	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	16.9	-178.5	0	0	0	0	0	115.7	R160 F423 S427	R160-G425 VanDerWaalsContact CZ-O 3.31Å; R160-G425 PolarHBondContact NH1-O 2.88Å; R160-G425 PolarHBondContact NH2-O 3.32Å; R160-G425 VanDerWaalsContact NH2-O 3.15Å; F423-G425 PolarHBondContact O-N 2.96Å; G425-S427 VanDerWaalsContact C-N 3.33Å
426	F	64.9	Low	52.1	Low	0 Å²	0	80.5 Å²	80.5	0%	0	43%	0.432	C	S	.	.			trans	-67.7	-30	176.6	-171	-94.1	0	0	0	113.5	R160 A177 F178 Q179 L184 L186 F423	R160-F426 HydrophobicContact CB-CD2 4.37Å; R160-F426 HydrophobicContact CB-CE2 3.77Å; R160-F426 HydrophobicContact CB-CZ 4.2Å; R160-F426 HydrophobicContact CG-CD2 4.27Å; R160-F426 HydrophobicContact CG-CE2 3.95Å; R160-F426 HydrophobicContact CG-CZ 4.14Å; R160-F426 PolarHBondContact NH1-O 2.81Å; R160-F426 VanDerWaalsContact NH1-O 3.17Å; A177-F426 HydrophobicContact CB-CD1 4.27Å; A177-F426 HydrophobicContact CB-CE1 3.95Å; F178-F426 WeakPolarHBondContact O-CE1 3.44Å; Q179-F426 HydrophobicContact CB-CD1 4.28Å; L184-F426 HydrophobicContact CB-CE1 4.01Å; L184-F426 HydrophobicContact CB-CZ 3.9Å; L184-F426 HydrophobicContact CD1-CE2 4.13Å; L184-F426 HydrophobicContact CD1-CZ 4.24Å; L184-F426 HydrophobicContact CD2-CD1 3.99Å; L184-F426 HydrophobicContact CD2-CD2 4.2Å; L184-F426 HydrophobicContact CD2-CE1 4.03Å; L184-F426 HydrophobicContact CD2-CE2 4.24Å; L184-F426 HydrophobicContact CD2-CG 4.07Å; L184-F426 HydrophobicContact CD2-CZ 4.15Å; L184-F426 HydrophobicContact CG-CZ 4.32Å; L186-F426 HydrophobicContact CD2-CE1 4.15Å; L186-F426 HydrophobicContact CD2-CZ 3.67Å; L186-F426 HydrophobicContact CG-CZ 4.29Å; F423-F426 WeakPolarHBondContact O-CB 3.36Å; F423-F426 PolarHBondContact O-N 3.35Å
427	S	69.7	Low	50.9	Low	45 Å²	45	80.6 Å²	80.6	32%	0.315	44%	0.439	S	S	.	.			trans	-64.5	135	-177.6	-54.6	0	0	0	0	112	A177 G425	A177-S427 CarbonylContact O-C 3.57Å; A177-S427 WeakPolarHBondContact O-CA 3.32Å; G425-S427 VanDerWaalsContact C-N 3.33Å
428	F	73.6	Confident	49.7	Very low	58 Å²	58	83.8 Å²	83.8	25%	0.254	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.2	-177.2	172.2	-100.2	0	0	0	109.9	A164 L174 Y176 A177 A430	A164-F428 HydrophobicContact CB-CD2 4.17Å; A164-F428 HydrophobicContact CB-CE1 4.32Å; A164-F428 HydrophobicContact CB-CE2 3.92Å; A164-F428 HydrophobicContact CB-CG 4.48Å; A164-F428 HydrophobicContact CB-CZ 4Å; L174-F428 HydrophobicContact CD2-CD1 3.87Å; L174-F428 HydrophobicContact CD2-CE1 4.19Å; L174-F428 HydrophobicContact CG-CD1 4.13Å; L174-F428 HydrophobicContact CG-CE1 4.27Å; Y176-F428 CarbonylContact C-O 3.2Å; Y176-F428 WeakPolarHBondContact CA-O 3.5Å; A177-F428 HydrophobicContact CB-CB 4Å; A177-F428 PolarHBondContact N-O 3.34Å; A177-F428 PolarHBondContact O-N 3.22Å; F428-A430 HydrophobicContact CE1-CB 3.88Å; F428-A430 HydrophobicContact CZ-CB 4.06Å
429	V	69.6	Low	48.8	Very low	41 Å²	41	83.9 Å²	83.9	25%	0.248	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.2	170.7	-179.6	0	0	0	0	106.9	A104 Y176 T431	A104-V429 HydrophobicContact CB-CG2 4.32Å; Y176-V429 HydrophobicContact CD1-CB 4.39Å; Y176-V429 HydrophobicContact CD1-CG1 3.93Å; Y176-V429 HydrophobicContact CD1-CG2 4.14Å; Y176-V429 HydrophobicContact CE1-CG1 3.72Å; V429-T431 PolarHBondContact O-N 3.48Å
430	A	68.1	Low	47.8	Very low	18 Å²	18	87.6 Å²	87.6	15%	0.149	49%	0.487	C	S	.	.			trans	-68	130.3	176.8	0	0	0	0	0	110.1	H175 F428 N432	H175-A430 PolarHBondContact O-N 3.32Å; F428-A430 HydrophobicContact CE1-CB 3.88Å; F428-A430 HydrophobicContact CZ-CB 4.06Å; A430-N432 PolarHBondContact O-N 3.43Å
431	T	47.9	Very low	46.5	Very low	75 Å²	75	90 Å²	90	46%	0.46	51%	0.509	S	S	.	.			trans	-74.7	115.3	166.9	34.1	0	0	0	0	108.7	V429 Q433	V429-T431 PolarHBondContact O-N 3.48Å; T431-Q433 VanDerWaalsContact C-N 3.34Å; T431-Q433 PolarHBondContact O-N 2.97Å
432	N	38.1	Very low	45.2	Very low	87 Å²	87	90.5 Å²	90.5	47%	0.465	52%	0.521	S	S	.	.			trans	-63.2	88.7	176.8	-68.8	-19.8	0	0	0	110.7	A430	A430-N432 PolarHBondContact O-N 3.43Å
433	Q	34.2	Very low	43.9	Very low	165 Å²	165	93.1 Å²	93.1	77%	0.771	54%	0.539	S	S	*	.			trans	-102.1	63.4	166.2	-73.1	-172.9	-3.6	0	0	109.4	T431	T431-Q433 VanDerWaalsContact C-N 3.34Å; T431-Q433 PolarHBondContact O-N 2.97Å
434	T	30.8	Very low	42.6	Very low	110 Å²	110	99.1 Å²	99.1	68%	0.675	58%	0.578	S	S	*	*			trans	-175.7	76.3	163.3	6.5	0	0	0	0	107.7
435	Q	31.2	Very low	41	Very low	175 Å²	175	98.2 Å²	98.2	82%	0.818	59%	0.592	S	S	*	*			trans	-108.1	107.4	149.6	-84.4	179.7	-0.5	0	0	104.9	A437	Q435-A437 PolarHBondContact O-N 3.39Å
436	E	28.9	Very low	39.5	Very low	185 Å²	185	108.3 Å²	108.3	86%	0.864	62%	0.622	S	S	*	*			trans	-61	130.2	161.3	-77.1	177.6	155.3	0	0	107.9	T438	E436-T438 PolarHBondContact O-N 3.45Å
437	A	28.8	Very low	38	Very low	92 Å²	92	117.6 Å²	117.6	76%	0.76	67%	0.665	S	S	*	*			trans	-74.7	114.8	-179	0	0	0	0	0	110.1	Q435	Q435-A437 PolarHBondContact O-N 3.39Å
438	T	26.5	Very low	35.7	Very low	140 Å²	140	124.4 Å²	124.4	86%	0.859	69%	0.692	S	S	*	*			trans	-126.3	84.6	154	46.5	0	0	0	0	108.1	E436	E436-T438 PolarHBondContact O-N 3.45Å
439	V	29.9	Very low	33.5	Very low	138 Å²	138	128 Å²	128	84%	0.836	72%	0.719	S	S	*	*			trans	-99.9	112.2	170.2	-178	0	0	0	0	107.6
440	A	26.6	Very low	31.2	Very low	84 Å²	84	133 Å²	133	69%	0.694	74%	0.743	S	S	*	*			trans	-116.2	136.3	156.7	0	0	0	0	0	108.3
441	P	28.2	Very low	29.2	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	77%	0.768	S	S	*	*			trans	-80.9	127	-170.2	31	-31.8	0	0	0	111.4
442	V	27.7	Very low	28	Very low	140 Å²	140	141.9 Å²	141.9	85%	0.848	78%	0.784	S	S	*	*			trans	-89	114.3	172.1	178.9	0	0	0	0	109.1
443	V	24.7	Very low	27.7	Very low	119 Å²	119	142 Å²	142	72%	0.721	79%	0.79	S	S	*	*			trans	-80.9	138.8	164.7	-179.5	0	0	0	0	108.1	S445	V443-S445 PolarHBondContact O-N 2.9Å
444	P	29.1	Very low	27.7	Very low	127 Å²	127	140 Å²	140	83%	0.825	78%	0.783	S	S	*	*			trans	-81.8	110.3	-177	30.6	-30.1	0	0	0	110.7
445	S	25.8	Very low	27.7	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	78%	0.776	S	S	*	*			trans	-121.6	128.9	166.3	58	0	0	0	0	111.7	V443	V443-S445 PolarHBondContact O-N 2.9Å
446	R	26	Very low	28.1	Very low	241 Å²	241	134.5 Å²	134.5	91%	0.909	76%	0.761	S	S	*	*			trans	-19	136.8	174.9	-74.2	170.2	168.8	162.7	-3.9	118.8	E448	R446-E448 PolarHBondContact O-N 3.25Å
447	Q	32	Very low	29.1	Very low	194 Å²	194	127.4 Å²	127.4	91%	0.907	73%	0.728	S	S	*	*			trans	-17.3	107.9	157.8	-70.3	167.8	-37.3	0	0	115.6
448	E	22.9	Very low	30	Very low	188 Å²	188	124.4 Å²	124.4	88%	0.879	70%	0.699	S	S	*	*			trans	-130.3	131.3	142.7	-76.8	-171.3	168.5	0	0	108.3	R446 N450	R446-E448 PolarHBondContact O-N 3.25Å; E448-N450 PolarHBondContact O-N 3.35Å; E448-N450 VanDerWaalsContact O-N 3.07Å
449	V	26.4	Very low	31.3	Very low	135 Å²	135	119.5 Å²	119.5	82%	0.818	66%	0.664	S	S	*	*			trans	-76	93.9	-173.1	-176.1	0	0	0	0	108.3	I451	V449-I451 HydrophobicContact CG1-CG1 4.07Å
450	N	21.4	Very low	32.2	Very low	144 Å²	144	116.5 Å²	116.5	77%	0.77	65%	0.65	S	S	*	*			trans	-100	102.2	172.6	-152.3	1.6	0	0	0	109.5	E448 N452	E448-N450 PolarHBondContact O-N 3.35Å; E448-N450 VanDerWaalsContact O-N 3.07Å; N450-N452 PolarHBondContact O-N 2.72Å
451	I	25.5	Very low	33.3	Very low	131 Å²	131	119.2 Å²	119.2	67%	0.672	65%	0.652	S	S	*	*			trans	-79.2	99.4	179.6	-58.2	174	0	0	0	107.9	V449 P453	V449-I451 HydrophobicContact CG1-CG1 4.07Å; I451-P453 HydrophobicContact CG2-CB 4.3Å; I451-P453 VanDerWaalsContact O-CD 3.31Å; I451-P453 WeakPolarHBondContact O-CD 3.41Å
452	N	23.7	Very low	35.1	Very low	149 Å²	149	116.2 Å²	116.2	80%	0.797	63%	0.632	S	S	*	*			trans	-81.7	113.2	162.3	-85.1	-15.6	0	0	0	109	N450	N450-N452 PolarHBondContact O-N 2.72Å
453	P	30.6	Very low	37.6	Very low	91 Å²	91	112.1 Å²	112.1	59%	0.591	61%	0.613	S	S	*	*			trans	-115.4	77.6	-175.5	35.1	-17.7	0	0	0	111.2	I451	I451-P453 HydrophobicContact CG2-CB 4.3Å; I451-P453 VanDerWaalsContact O-CD 3.31Å; I451-P453 WeakPolarHBondContact O-CD 3.41Å
454	I	34.1	Very low	40.6	Very low	122 Å²	122	107 Å²	107	63%	0.626	58%	0.581	S	S	*	*			trans	-155.5	99.5	166.2	-79.9	114.8	0	0	0	108.7	H457	I454-H457 VanDerWaalsContact CG2-NE2 3.34Å; I454-H457 WeakPolarHBondContact CG2-NE2 3.33Å
455	A	31	Very low	43.3	Very low	63 Å²	63	108.2 Å²	108.2	52%	0.521	57%	0.573	S	S	.	*			trans	-169	34.8	162.5	0	0	0	0	0	111.4	R391 H457	R391-A455 PolarHBondContact NE-O 3.14Å; A455-H457 WeakPolarHBondContact CA-NE2 3.41Å; A455-H457 PolarHBondContact N-NE2 2.91Å
456	Q	40.3	Very low	46.1	Very low	106 Å²	106	107.9 Å²	107.9	50%	0.495	56%	0.562	S	S	.	*			trans	-143.5	100.6	-179.6	-58.4	-171.7	2.3	0	0	105.6
457	H	50.1	Low	48.9	Very low	37 Å²	37	96.8 Å²	96.8	17%	0.171	52%	0.521	C	S	.	.			trans	-134.1	-34.3	-165.3	-44.3	134.7	0	0	0	112.5	I454 A455 L514 R526 D527 V528	I454-H457 VanDerWaalsContact CG2-NE2 3.34Å; I454-H457 WeakPolarHBondContact CG2-NE2 3.33Å; A455-H457 WeakPolarHBondContact CA-NE2 3.41Å; A455-H457 PolarHBondContact N-NE2 2.91Å; H457-L514 HydrophobicContact CB-CD2 4.17Å; H457-R526 WeakPolarHBondContact CA-O 3.34Å; H457-D527 CarbonylContact O-C 3.58Å; H457-D527 VanDerWaalsContact O-C 3.31Å; H457-D527 VanDerWaalsContact O-CA 3.3Å; H457-D527 WeakPolarHBondContact O-CA 3.41Å; H457-V528 PolarHBondContact O-N 2.99Å
458	I	47.6	Very low	51.7	Low	29 Å²	29	87.7 Å²	87.7	15%	0.149	48%	0.479	C	S	.	.	B	Isolated β-bridge	trans	-135.2	146	168.8	-49.7	-147.6	0	0	0	108.7	R391 F396 I510 V528	R391-I458 PolarHBondContact NH1-O 3.42Å; F396-I458 HydrophobicContact CD1-CD1 4.35Å; F396-I458 HydrophobicContact CE1-CB 3.97Å; F396-I458 HydrophobicContact CE1-CD1 3.62Å; F396-I458 HydrophobicContact CE1-CG1 3.94Å; F396-I458 HydrophobicContact CE1-CG2 4.12Å; F396-I458 HydrophobicContact CE2-CD1 4Å; F396-I458 HydrophobicContact CE2-CG1 4.33Å; F396-I458 HydrophobicContact CZ-CB 3.88Å; F396-I458 HydrophobicContact CZ-CD1 3.4Å; F396-I458 HydrophobicContact CZ-CG1 3.49Å; F396-I458 VanDerWaalsContact CZ-CG1 3.49Å; I458-I510 HydrophobicContact CD1-CG2 4.48Å; I458-V528 VanDerWaalsContact CA-O 3.31Å; I458-V528 WeakPolarHBondContact CA-O 3.24Å; I458-V528 HydrophobicContact CB-CB 4.36Å; I458-V528 HydrophobicContact CD1-CB 3.92Å; I458-V528 HydrophobicContact CD1-CG1 4.14Å; I458-V528 HydrophobicContact CD1-CG2 4.25Å; I458-V528 HydrophobicContact CG1-CB 3.85Å; I458-V528 HydrophobicContact CG1-CG2 4.24Å; I458-V528 HydrophobicContact CG2-CB 4.33Å
459	R	53.7	Low	54.9	Low	36 Å²	36	83.5 Å²	83.5	14%	0.136	46%	0.459	C	S	.	.			trans	-135.8	104.7	174.4	-57	-175	-171.6	-169.5	-0.2	110.7	V462 T467 D527 V528 F529	R459-V462 HydrophobicContact CB-CB 4.34Å; R459-T467 PolarHBondContact NH1-OG1 3.43Å; R459-D527 IonicContact NE-OD1 2.74Å; R459-V528 PolarHBondContact N-O 2.92Å; R459-V528 VanDerWaalsContact N-O 3.09Å; R459-F529 HydrophobicContact CB-CD1 4.09Å; R459-F529 HydrophobicContact CB-CE1 3.8Å; R459-F529 HydrophobicContact CG-CE1 4.17Å; R459-F529 HydrophobicContact CG-CZ 4.45Å
460	S	48.5	Very low	57.8	Low	76 Å²	76	80 Å²	80	53%	0.531	44%	0.436	S	S	.	.	S	Bend	trans	-82	-23.5	174.1	54	0	0	0	0	113.4	K113	K113-S460 PolarHBondContact NZ-OG 2.91Å
461	D	50.6	Low	60.7	Low	140 Å²	140	76.6 Å²	76.6	75%	0.749	41%	0.414	S	S	*	.	S	Bend	trans	-101.6	-1.6	-167.5	-48.5	-18.4	0	0	0	112.3
462	V	66.5	Low	62.5	Low	58 Å²	58	79.4 Å²	79.4	35%	0.352	42%	0.424	S	S	.	.	S	Bend	trans	-132.2	127.1	-176.5	-178.1	0	0	0	0	108	R459 D466 T467 F529	R459-V462 HydrophobicContact CB-CB 4.34Å; V462-D466 HydrophobicContact CG1-CB 3.91Å; V462-T467 WeakPolarHBondContact CG1-OG1 3.41Å; V462-F529 WeakPolarHBondContact O-CD1 3.4Å
463	A	79.8	Confident	64.2	Low	54 Å²	54	77.9 Å²	77.9	45%	0.446	41%	0.412	S	S	.	.			trans	-71.5	148.9	-179.8	0	0	0	0	0	110.6	K465 D466	A463-K465 PolarHBondContact O-N 2.78Å; A463-D466 VanDerWaalsContact CB-OD2 3.31Å; A463-D466 WeakPolarHBondContact CB-OD2 3.2Å; A463-D466 PolarHBondContact N-OD2 3.22Å; A463-D466 VanDerWaalsContact N-OD2 3.14Å; A463-D466 WeakPolarHBondContact O-CB 3.48Å; A463-D466 PolarHBondContact O-N 3.12Å
464	F	86.6	Confident	65.4	Low	11 Å²	11	77.1 Å²	77.1	5%	0.048	41%	0.406	C	S	.	.	H	α-helix	trans	-50.6	-44	176	169.1	-95.6	0	0	0	111.7	D466 T467 Y468 L470 C485 V496 F529 F536 V538	F464-D466 PolarHBondContact O-N 3.19Å; F464-T467 PolarHBondContact O-N 2.84Å; F464-T467 VanDerWaalsContact O-N 3.12Å; F464-Y468 HydrophobicContact CD2-CD2 4.09Å; F464-Y468 HydrophobicContact CD2-CG 4.4Å; F464-Y468 AromaticContact CE2-CD2 3.98Å; F464-Y468 HydrophobicContact CE2-CD2 3.98Å; F464-Y468 AromaticContact CE2-CG 3.89Å; F464-Y468 HydrophobicContact CE2-CG 3.89Å; F464-Y468 HydrophobicContact CZ-CG 4.35Å; F464-Y468 PolarHBondContact O-N 2.8Å; F464-L470 HydrophobicContact CE1-CD1 4.16Å; F464-L470 HydrophobicContact CE1-CD2 3.95Å; F464-L470 HydrophobicContact CE1-CG 3.8Å; F464-L470 HydrophobicContact CZ-CD2 3.96Å; F464-L470 HydrophobicContact CZ-CG 4.25Å; F464-C485 HydrophobicContact CZ-CB 4.22Å; F464-V496 HydrophobicContact CE2-CB 4.3Å; F464-V496 HydrophobicContact CE2-CG2 3.85Å; F464-V496 HydrophobicContact CZ-CB 4.31Å; F464-V496 HydrophobicContact CZ-CG1 4.05Å; F464-V496 HydrophobicContact CZ-CG2 4.1Å; F464-F529 HydrophobicContact CB-CB 3.96Å; F464-F529 HydrophobicContact CB-CD1 4.09Å; F464-F529 HydrophobicContact CB-CD2 4.21Å; F464-F529 HydrophobicContact CB-CG 3.83Å; F464-F529 AromaticContact CD2-CD2 3.7Å; F464-F529 HydrophobicContact CD2-CD2 3.7Å; F464-F529 HydrophobicContact CD2-CE2 4Å; F464-F529 HydrophobicContact CD2-CG 4.2Å; F464-F529 HydrophobicContact CG-CD2 4.45Å; F464-F536 HydrophobicContact CB-CD2 4.28Å; F464-F536 HydrophobicContact CB-CG 4.27Å; F464-F536 HydrophobicContact CD1-CD1 4.06Å; F464-F536 HydrophobicContact CD1-CE1 4.18Å; F464-F536 HydrophobicContact CD2-CB 3.98Å; F464-F536 HydrophobicContact CD2-CD1 4.17Å; F464-F536 HydrophobicContact CD2-CG 4.12Å; F464-F536 HydrophobicContact CE1-CD1 4.34Å; F464-F536 HydrophobicContact CE2-CB 4.44Å; F464-F536 HydrophobicContact CE2-CD1 4.44Å; F464-F536 HydrophobicContact CG-CB 4.41Å; F464-F536 AromaticContact CG-CD1 3.98Å; F464-F536 HydrophobicContact CG-CD1 3.98Å; F464-F536 HydrophobicContact CG-CE1 4.42Å; F464-F536 HydrophobicContact CG-CG 4.06Å; F464-V538 HydrophobicContact CD2-CG2 4.41Å; F464-V538 HydrophobicContact CE2-CG2 4Å
465	K	86.1	Confident	66.4	Low	153 Å²	153	75.3 Å²	75.3	67%	0.665	40%	0.395	S	S	*	.	H	α-helix	trans	-64.2	-21.7	-178.8	-65.5	-177.4	-179.4	177.2	0	114.1	A463 Y468 R488	A463-K465 PolarHBondContact O-N 2.78Å; K465-Y468 CarbonylContact C-O 3.56Å; K465-Y468 WeakPolarHBondContact CA-O 3.44Å; K465-R488 PolarHBondContact O-NE 3.4Å; K465-R488 PolarHBondContact O-NH2 2.92Å
466	D	85.6	Confident	67.1	Low	108 Å²	108	81.1 Å²	81.1	58%	0.578	41%	0.411	S	S	*	.	H	α-helix	trans	-80.6	-24.5	178.8	-55.6	-28.3	0	0	0	111.6	V462 A463 F464 R488	V462-D466 HydrophobicContact CG1-CB 3.91Å; A463-D466 VanDerWaalsContact CB-OD2 3.31Å; A463-D466 WeakPolarHBondContact CB-OD2 3.2Å; A463-D466 PolarHBondContact N-OD2 3.22Å; A463-D466 VanDerWaalsContact N-OD2 3.14Å; A463-D466 WeakPolarHBondContact O-CB 3.48Å; A463-D466 PolarHBondContact O-N 3.12Å; F464-D466 PolarHBondContact O-N 3.19Å; D466-R488 WeakPolarHBondContact O-CD 3.36Å
467	T	84.1	Confident	67.3	Low	8 Å²	8	78 Å²	78	5%	0.049	40%	0.401	C	S	.	.	H	α-helix	trans	-103	-34.9	-179.3	-52.9	0	0	0	0	112	R459 V462 F464 H487 R488 F529	R459-T467 PolarHBondContact NH1-OG1 3.43Å; V462-T467 WeakPolarHBondContact CG1-OG1 3.41Å; F464-T467 PolarHBondContact O-N 2.84Å; F464-T467 VanDerWaalsContact O-N 3.12Å; T467-H487 WeakPolarHBondContact CG2-NE2 3.41Å; T467-R488 WeakPolarHBondContact O-CG 3.26Å; T467-R488 PolarHBondContact O-N 3.19Å; T467-F529 HydrophobicContact CG2-CZ 4.26Å
468	Y	89.9	Confident	67.2	Low	2 Å²	2	79.4 Å²	79.4	1%	0.008	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.8	-173.2	-68.8	-86.7	0	0	0	112.4	F464 K465 C485 L486 H487 Y494 D527 F529 V538	F464-Y468 HydrophobicContact CD2-CD2 4.09Å; F464-Y468 HydrophobicContact CD2-CG 4.4Å; F464-Y468 AromaticContact CE2-CD2 3.98Å; F464-Y468 HydrophobicContact CE2-CD2 3.98Å; F464-Y468 AromaticContact CE2-CG 3.89Å; F464-Y468 HydrophobicContact CE2-CG 3.89Å; F464-Y468 HydrophobicContact CZ-CG 4.35Å; F464-Y468 PolarHBondContact O-N 2.8Å; K465-Y468 CarbonylContact C-O 3.56Å; K465-Y468 WeakPolarHBondContact CA-O 3.44Å; Y468-C485 HydrophobicContact CD1-CB 4.39Å; Y468-L486 CarbonylContact C-O 3.59Å; Y468-L486 VanDerWaalsContact CA-O 3.3Å; Y468-L486 WeakPolarHBondContact CA-O 3.41Å; Y468-H487 HydrophobicContact CD1-CB 4.08Å; Y468-H487 HydrophobicContact CE1-CB 3.7Å; Y468-H487 AromaticContact CE1-CD2 3.93Å; Y468-H487 AromaticContact CZ-CD2 3.69Å; Y468-Y494 HydrophobicContact CD1-CD2 4.43Å; Y468-Y494 AromaticContact CE1-CD2 3.61Å; Y468-Y494 HydrophobicContact CE1-CD2 3.61Å; Y468-Y494 HydrophobicContact CE1-CE2 4.05Å; Y468-Y494 HydrophobicContact CE1-CG 4.3Å; Y468-D527 HydrophobicContact CE2-CB 4.4Å; Y468-D527 PolarHBondContact OH-OD2 2.92Å; Y468-F529 AromaticContact CD2-CE2 3.73Å; Y468-F529 HydrophobicContact CD2-CE2 3.73Å; Y468-F529 AromaticContact CD2-CZ 3.84Å; Y468-F529 HydrophobicContact CD2-CZ 3.84Å; Y468-F529 AromaticContact CE2-CE2 3.56Å; Y468-F529 HydrophobicContact CE2-CE2 3.56Å; Y468-F529 AromaticContact CE2-CZ 3.71Å; Y468-F529 HydrophobicContact CE2-CZ 3.71Å; Y468-V538 HydrophobicContact CD2-CG2 4.3Å; Y468-V538 HydrophobicContact CE1-CG1 3.81Å; Y468-V538 HydrophobicContact CE2-CG1 4.48Å; Y468-V538 HydrophobicContact CE2-CG2 4.04Å
469	E	90.4	Very high	67.3	Low	100 Å²	100	83.6 Å²	83.6	47%	0.467	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.9	171.4	-172.2	169.4	150.4	0	0	109.9	C485 L486 R488	E469-C485 CarbonylContact O-C 3.51Å; E469-C485 WeakPolarHBondContact O-CA 3.47Å; E469-C485 WeakPolarHBondContact O-CB 3.41Å; E469-L486 PolarHBondContact N-O 3.46Å; E469-L486 PolarHBondContact O-N 3.3Å; E469-R488 HydrophobicContact CB-CG 4.48Å; E469-R488 IonicContact OE2-CZ 3.59Å; E469-R488 IonicContact OE2-NH1 2.77Å; E469-R488 PolarHBondContact OE2-NH1 2.62Å
470	L	88.4	Confident	67.5	Low	63 Å²	63	83.5 Å²	83.5	33%	0.33	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.2	177	-73.3	166.5	0	0	0	110.3	F464 K483 C485 V496	F464-L470 HydrophobicContact CE1-CD1 4.16Å; F464-L470 HydrophobicContact CE1-CD2 3.95Å; F464-L470 HydrophobicContact CE1-CG 3.8Å; F464-L470 HydrophobicContact CZ-CD2 3.96Å; F464-L470 HydrophobicContact CZ-CG 4.25Å; L470-K483 HydrophobicContact CD2-CB 3.91Å; L470-K483 HydrophobicContact CD2-CD 4.03Å; L470-C485 HydrophobicContact CD2-CB 4.37Å; L470-V496 HydrophobicContact CD2-CG1 3.49Å; L470-V496 VanDerWaalsContact CD2-CG1 3.49Å
471	K	82.4	Confident	68.4	Low	71 Å²	71	83.2 Å²	83.2	31%	0.309	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	154.5	166.4	-63.4	-172.6	177.2	178.9	0	110.1	E473 R484 E493	K471-E473 VanDerWaalsContact C-N 3.3Å; K471-E473 PolarHBondContact O-N 3.19Å; K471-R484 HydrophobicContact CB-CB 4.12Å; K471-R484 HydrophobicContact CD-CB 4.23Å; K471-R484 PolarHBondContact N-O 3.1Å; K471-E493 IonicContact NZ-OE1 3.34Å; K471-E493 PolarHBondContact NZ-OE1 2.99Å
472	E	63.6	Low	69.6	Low	190 Å²	190	77.8 Å²	77.8	89%	0.888	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	-19	-173.3	-66.5	-172.5	158.1	0	0	114.3	V474	E472-V474 PolarHBondContact O-N 3.11Å
473	E	59.2	Low	70.4	Confident	117 Å²	117	77.8 Å²	77.8	55%	0.547	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.9	-178.9	-71.6	178.2	-155.8	0	0	112.4	K471 R484	K471-E473 VanDerWaalsContact C-N 3.3Å; K471-E473 PolarHBondContact O-N 3.19Å; E473-R484 IonicContact OE1-NH2 3.85Å; E473-R484 PolarHBondContact OE1-NH2 2.62Å; E473-R484 IonicContact OE2-CZ 2.68Å; E473-R484 IonicContact OE2-NE 2.9Å; E473-R484 PolarHBondContact OE2-NE 3.16Å; E473-R484 VanDerWaalsContact OE2-NE 3.08Å; E473-R484 IonicContact OE2-NH2 3.5Å; E473-R484 PolarHBondContact OE2-NH2 3.39Å
474	V	55.2	Low	70.8	Confident	75 Å²	75	78.6 Å²	78.6	46%	0.455	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.4	175.7	-177	0	0	0	0	108.5	E472 Q476	E472-V474 PolarHBondContact O-N 3.11Å; V474-Q476 HydrophobicContact CG1-CG 4.08Å; V474-Q476 PolarHBondContact O-N 2.98Å
475	E	54.3	Low	71	Confident	84 Å²	84	78.1 Å²	78.1	39%	0.393	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	101.4	159.2	-77.9	-167.5	139.4	0	0	107.7	S477 R482 R592	E475-S477 PolarHBondContact O-N 3.1Å; E475-S477 VanDerWaalsContact O-N 3.15Å; E475-R482 PolarHBondContact N-O 3.41Å; E475-R592 IonicContact OE1-CZ 2.77Å; E475-R592 IonicContact OE1-NH1 3.69Å; E475-R592 PolarHBondContact OE1-NH1 3.04Å; E475-R592 IonicContact OE1-NH2 3.59Å; E475-R592 IonicContact OE2-NH1 2.89Å; E475-R592 PolarHBondContact OE2-NH1 3.5Å
476	Q	45.9	Very low	71.2	Confident	186 Å²	186	73 Å²	73	87%	0.869	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	103.7	171.7	-98.7	177.3	-5.8	0	0	109.5	V474	V474-Q476 HydrophobicContact CG1-CG 4.08Å; V474-Q476 PolarHBondContact O-N 2.98Å
477	S	44.5	Very low	71.3	Confident	40 Å²	40	68.8 Å²	68.8	28%	0.28	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	94.5	167.3	-171.8	0	0	0	0	109.5	E475	E475-S477 PolarHBondContact O-N 3.1Å; E475-S477 VanDerWaalsContact O-N 3.15Å
478	G	49.4	Very low	71.4	Confident	67 Å²	67	74.4 Å²	74.4	69%	0.691	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-157.1	173	0	0	0	0	0	116.2	F480	G478-F480 VanDerWaalsContact C-N 3.26Å; G478-F480 PolarHBondContact O-N 3.01Å
479	P	49.2	Very low	71.1	Confident	117 Å²	117	81.6 Å²	81.6	76%	0.76	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	4.1	-169.1	31.8	-34.7	0	0	0	115
480	F	57.8	Low	70.9	Confident	34 Å²	34	80.8 Å²	80.8	15%	0.149	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.3	179.6	-50.4	-74.9	0	0	0	110.2	G478 K497 I499 K504	G478-F480 VanDerWaalsContact C-N 3.26Å; G478-F480 PolarHBondContact O-N 3.01Å; F480-K497 HydrophobicContact CB-CG 4.42Å; F480-I499 HydrophobicContact CD1-CG1 4.15Å; F480-I499 HydrophobicContact CD1-CG2 4.32Å; F480-I499 HydrophobicContact CE1-CG2 4.21Å; F480-K504 HydrophobicContact CE1-CB 4.32Å; F480-K504 HydrophobicContact CE1-CD 3.71Å; F480-K504 HydrophobicContact CE2-CD 4.41Å; F480-K504 HydrophobicContact CZ-CD 3.36Å
481	V	67.5	Low	70.8	Confident	69 Å²	69	80.9 Å²	80.9	42%	0.418	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.7	179.5	178.9	0	0	0	0	108.6	K483 I498	V481-K483 HydrophobicContact CG1-CD 4.22Å; V481-K483 HydrophobicContact CG1-CG 3.93Å; V481-I498 PolarHBondContact O-N 3.43Å
482	R	75.5	Confident	71	Confident	26 Å²	26	80.7 Å²	80.7	10%	0.098	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.6	170.9	-171.5	175.9	-83.1	169	-4.6	109.1	E475 S495 V496 C606	E475-R482 PolarHBondContact N-O 3.41Å; R482-S495 WeakPolarHBondContact CD-OG 3.29Å; R482-S495 VanDerWaalsContact CG-OG 3.22Å; R482-S495 WeakPolarHBondContact CG-OG 3.12Å; R482-V496 WeakPolarHBondContact CA-O 3.2Å; R482-C606 PolarHBondContact NH2-O 3.09Å; R482-C606 VanDerWaalsContact NH2-O 3.1Å
483	K	84.1	Confident	72.2	Confident	59 Å²	59	72.9 Å²	72.9	26%	0.257	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.4	179.3	-69.3	-173.6	176.8	-165.3	0	110.5	L470 V481 S495 V496	L470-K483 HydrophobicContact CD2-CB 3.91Å; L470-K483 HydrophobicContact CD2-CD 4.03Å; V481-K483 HydrophobicContact CG1-CD 4.22Å; V481-K483 HydrophobicContact CG1-CG 3.93Å; K483-S495 CarbonylContact O-C 3.56Å; K483-V496 HydrophobicContact CB-CG1 4.09Å; K483-V496 PolarHBondContact N-O 2.96Å; K483-V496 WeakPolarHBondContact O-CG1 3.26Å; K483-V496 PolarHBondContact O-N 3Å
484	R	87.3	Confident	73.8	Confident	71 Å²	71	69 Å²	69	27%	0.268	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.1	165.9	-62.3	-163.1	-70.5	158.7	-11.6	109.4	K471 E473 E493 Y494	K471-R484 HydrophobicContact CB-CB 4.12Å; K471-R484 HydrophobicContact CD-CB 4.23Å; K471-R484 PolarHBondContact N-O 3.1Å; E473-R484 IonicContact OE1-NH2 3.85Å; E473-R484 PolarHBondContact OE1-NH2 2.62Å; E473-R484 IonicContact OE2-CZ 2.68Å; E473-R484 IonicContact OE2-NE 2.9Å; E473-R484 PolarHBondContact OE2-NE 3.16Å; E473-R484 VanDerWaalsContact OE2-NE 3.08Å; E473-R484 IonicContact OE2-NH2 3.5Å; E473-R484 PolarHBondContact OE2-NH2 3.39Å; R484-E493 IonicContact CZ-OE1 3.35Å; R484-E493 IonicContact NE-OE1 2.74Å; R484-E493 IonicContact NH1-OE1 3.64Å; R484-E493 PolarHBondContact NH1-OE1 2.77Å; R484-E493 IonicContact NH1-OE2 3.78Å; R484-Y494 WeakPolarHBondContact CA-O 3.33Å
485	C	90.2	Very high	75.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.6	172.5	64.2	0	0	0	0	111.8	F464 Y468 E469 L470 E493 Y494 V496	F464-C485 HydrophobicContact CZ-CB 4.22Å; Y468-C485 HydrophobicContact CD1-CB 4.39Å; E469-C485 CarbonylContact O-C 3.51Å; E469-C485 WeakPolarHBondContact O-CA 3.47Å; E469-C485 WeakPolarHBondContact O-CB 3.41Å; L470-C485 HydrophobicContact CD2-CB 4.37Å; C485-E493 WeakPolarHBondContact O-CA 3.12Å; C485-Y494 PolarHBondContact N-O 3.17Å; C485-Y494 PolarHBondContact O-N 2.87Å; C485-V496 HydrophobicContact CB-CG1 4.08Å
486	L	90.9	Very high	77.2	Confident	47 Å²	47	61.9 Å²	61.9	25%	0.246	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.2	178.1	-160.2	76.5	0	0	0	109.1	Y468 E469 R488 A491 E493	Y468-L486 CarbonylContact C-O 3.59Å; Y468-L486 VanDerWaalsContact CA-O 3.3Å; Y468-L486 WeakPolarHBondContact CA-O 3.41Å; E469-L486 PolarHBondContact N-O 3.46Å; E469-L486 PolarHBondContact O-N 3.3Å; L486-R488 PolarHBondContact O-N 3.13Å; L486-A491 WeakPolarHBondContact CD1-O 3.41Å; L486-A491 HydrophobicContact CD2-CB 4.35Å; L486-E493 HydrophobicContact CD1-CB 4.21Å
487	H	87.7	Confident	79.2	Confident	18 Å²	18	53.3 Å²	53.3	8%	0.083	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	121.4	170.1	-176	-67.8	0	0	0	108.8	T467 Y468 I489 T490 A491 V492 Y494	T467-H487 WeakPolarHBondContact CG2-NE2 3.41Å; Y468-H487 HydrophobicContact CD1-CB 4.08Å; Y468-H487 HydrophobicContact CE1-CB 3.7Å; Y468-H487 AromaticContact CE1-CD2 3.93Å; Y468-H487 AromaticContact CZ-CD2 3.69Å; H487-I489 VanDerWaalsContact C-N 3.3Å; H487-I489 PolarHBondContact ND1-N 3.3Å; H487-I489 PolarHBondContact O-N 3.44Å; H487-T490 WeakPolarHBondContact CB-OG1 3.46Å; H487-T490 PolarHBondContact ND1-N 3.01Å; H487-T490 PolarHBondContact ND1-OG1 3.29Å; H487-A491 VanDerWaalsContact O-CA 3.26Å; H487-A491 WeakPolarHBondContact O-CA 2.96Å; H487-A491 PolarHBondContact O-N 3.43Å; H487-V492 PolarHBondContact N-O 3.16Å; H487-Y494 HydrophobicContact CB-CD2 4.24Å; H487-Y494 HydrophobicContact CB-CE2 3.8Å
488	R	85.9	Confident	81.3	Confident	126 Å²	126	52.7 Å²	52.7	48%	0.475	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.9	-168.5	-70.5	-175.1	174.9	-70.3	-2.6	114.2	K465 D466 T467 E469 L486	K465-R488 PolarHBondContact O-NE 3.4Å; K465-R488 PolarHBondContact O-NH2 2.92Å; D466-R488 WeakPolarHBondContact O-CD 3.36Å; T467-R488 WeakPolarHBondContact O-CG 3.26Å; T467-R488 PolarHBondContact O-N 3.19Å; E469-R488 HydrophobicContact CB-CG 4.48Å; E469-R488 IonicContact OE2-CZ 3.59Å; E469-R488 IonicContact OE2-NH1 2.77Å; E469-R488 PolarHBondContact OE2-NH1 2.62Å; L486-R488 PolarHBondContact O-N 3.13Å
489	I	84.3	Confident	83	Confident	154 Å²	154	49.5 Å²	49.5	79%	0.79	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-54.9	-177.2	-54.5	175.3	0	0	0	111.7	H487 A491	H487-I489 VanDerWaalsContact C-N 3.3Å; H487-I489 PolarHBondContact ND1-N 3.3Å; H487-I489 PolarHBondContact O-N 3.44Å; I489-A491 VanDerWaalsContact C-N 3.3Å; I489-A491 PolarHBondContact O-N 3.11Å
490	T	85.8	Confident	84.6	Confident	82 Å²	82	45.5 Å²	45.5	50%	0.503	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.4	-174.2	60.5	0	0	0	0	113.5	H487 V492	H487-T490 WeakPolarHBondContact CB-OG1 3.46Å; H487-T490 PolarHBondContact ND1-N 3.01Å; H487-T490 PolarHBondContact ND1-OG1 3.29Å; T490-V492 PolarHBondContact O-N 3.3Å; T490-V492 VanDerWaalsContact O-N 3.07Å; T490-V492 PolarHBondContact OG1-N 3.46Å
491	A	85.8	Confident	85.5	Confident	66 Å²	66	49.6 Å²	49.6	55%	0.545	25%	0.248	S	C	.	.			trans	53.8	21.6	-170.7	0	0	0	0	0	113.6	L486 H487 I489	L486-A491 WeakPolarHBondContact CD1-O 3.41Å; L486-A491 HydrophobicContact CD2-CB 4.35Å; H487-A491 VanDerWaalsContact O-CA 3.26Å; H487-A491 WeakPolarHBondContact O-CA 2.96Å; H487-A491 PolarHBondContact O-N 3.43Å; I489-A491 VanDerWaalsContact C-N 3.3Å; I489-A491 PolarHBondContact O-N 3.11Å
492	V	87.1	Confident	85.9	Confident	66 Å²	66	50.9 Å²	50.9	40%	0.4	27%	0.266	S	S	.	.			trans	-80.6	138.1	176.1	179.1	0	0	0	0	109.2	H487 T490 Y494	H487-V492 PolarHBondContact N-O 3.16Å; T490-V492 PolarHBondContact O-N 3.3Å; T490-V492 VanDerWaalsContact O-N 3.07Å; T490-V492 PolarHBondContact OG1-N 3.46Å; V492-Y494 HydrophobicContact CB-CE2 3.71Å; V492-Y494 HydrophobicContact CG1-CD2 4.35Å; V492-Y494 HydrophobicContact CG1-CE1 4.16Å; V492-Y494 HydrophobicContact CG1-CE2 3.6Å; V492-Y494 VanDerWaalsContact CG1-CZ 3.49Å; V492-Y494 WeakPolarHBondContact CG1-OH 3.43Å; V492-Y494 VanDerWaalsContact O-CD2 3.3Å; V492-Y494 WeakPolarHBondContact O-CD2 3.44Å; V492-Y494 WeakPolarHBondContact O-CE2 3.36Å
493	E	89.3	Confident	85.8	Confident	26 Å²	26	57.9 Å²	57.9	12%	0.121	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.6	-178	-175.7	171	-129.7	0	0	111.9	K471 R484 C485 L486 V541 R543	K471-E493 IonicContact NZ-OE1 3.34Å; K471-E493 PolarHBondContact NZ-OE1 2.99Å; R484-E493 IonicContact CZ-OE1 3.35Å; R484-E493 IonicContact NE-OE1 2.74Å; R484-E493 IonicContact NH1-OE1 3.64Å; R484-E493 PolarHBondContact NH1-OE1 2.77Å; R484-E493 IonicContact NH1-OE2 3.78Å; C485-E493 WeakPolarHBondContact O-CA 3.12Å; L486-E493 HydrophobicContact CD1-CB 4.21Å; E493-V541 HydrophobicContact CG-CG1 4.44Å; E493-V541 WeakPolarHBondContact O-CG1 3.46Å; E493-R543 IonicContact OE2-CZ 2.73Å; E493-R543 IonicContact OE2-NH1 2.97Å; E493-R543 IonicContact OE2-NH2 2.71Å; E493-R543 PolarHBondContact OE2-NH2 3.35Å
494	Y	91.6	Very high	85.3	Confident	36 Å²	36	57.1 Å²	57.1	14%	0.141	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	170	-178.8	-62.4	-81.1	0	0	0	110.8	Y468 R484 C485 H487 V492 R526 V538 L539	Y468-Y494 HydrophobicContact CD1-CD2 4.43Å; Y468-Y494 AromaticContact CE1-CD2 3.61Å; Y468-Y494 HydrophobicContact CE1-CD2 3.61Å; Y468-Y494 HydrophobicContact CE1-CE2 4.05Å; Y468-Y494 HydrophobicContact CE1-CG 4.3Å; R484-Y494 WeakPolarHBondContact CA-O 3.33Å; C485-Y494 PolarHBondContact N-O 3.17Å; C485-Y494 PolarHBondContact O-N 2.87Å; H487-Y494 HydrophobicContact CB-CD2 4.24Å; H487-Y494 HydrophobicContact CB-CE2 3.8Å; V492-Y494 HydrophobicContact CB-CE2 3.71Å; V492-Y494 HydrophobicContact CG1-CD2 4.35Å; V492-Y494 HydrophobicContact CG1-CE1 4.16Å; V492-Y494 HydrophobicContact CG1-CE2 3.6Å; V492-Y494 VanDerWaalsContact CG1-CZ 3.49Å; V492-Y494 WeakPolarHBondContact CG1-OH 3.43Å; V492-Y494 VanDerWaalsContact O-CD2 3.3Å; V492-Y494 WeakPolarHBondContact O-CD2 3.44Å; V492-Y494 WeakPolarHBondContact O-CE2 3.36Å; Y494-R526 HydrophobicContact CD1-CG 3.98Å; Y494-R526 HydrophobicContact CE1-CB 4.38Å; Y494-R526 HydrophobicContact CE1-CG 3.76Å; Y494-V538 HydrophobicContact CD1-CG1 4.26Å; Y494-V538 HydrophobicContact CD2-CG1 4.49Å; Y494-V538 HydrophobicContact CG-CG1 3.88Å; Y494-L539 WeakPolarHBondContact CB-O 3.26Å
495	S	89.6	Confident	84.6	Confident	10 Å²	10	59 Å²	59	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.2	168.7	-173.1	0	0	0	0	109	R482 K483 V538 L539	R482-S495 WeakPolarHBondContact CD-OG 3.29Å; R482-S495 VanDerWaalsContact CG-OG 3.22Å; R482-S495 WeakPolarHBondContact CG-OG 3.12Å; K483-S495 CarbonylContact O-C 3.56Å; S495-V538 CarbonylContact O-C 3.59Å; S495-V538 WeakPolarHBondContact O-CA 3.33Å; S495-L539 PolarHBondContact N-O 2.81Å; S495-L539 PolarHBondContact O-N 3Å
496	V	90.9	Very high	84	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.1	174.2	60.8	0	0	0	0	110.4	F464 L470 R482 K483 C485 I498 F536 L537 V538	F464-V496 HydrophobicContact CE2-CB 4.3Å; F464-V496 HydrophobicContact CE2-CG2 3.85Å; F464-V496 HydrophobicContact CZ-CB 4.31Å; F464-V496 HydrophobicContact CZ-CG1 4.05Å; F464-V496 HydrophobicContact CZ-CG2 4.1Å; L470-V496 HydrophobicContact CD2-CG1 3.49Å; L470-V496 VanDerWaalsContact CD2-CG1 3.49Å; R482-V496 WeakPolarHBondContact CA-O 3.2Å; K483-V496 HydrophobicContact CB-CG1 4.09Å; K483-V496 PolarHBondContact N-O 2.96Å; K483-V496 WeakPolarHBondContact O-CG1 3.26Å; K483-V496 PolarHBondContact O-N 3Å; C485-V496 HydrophobicContact CB-CG1 4.08Å; V496-I498 HydrophobicContact CG2-CG1 4.23Å; V496-F536 HydrophobicContact CG2-CB 3.86Å; V496-F536 HydrophobicContact CG2-CD1 4.13Å; V496-L537 CarbonylContact C-O 3.57Å; V496-L537 VanDerWaalsContact CA-O 3.31Å; V496-L537 WeakPolarHBondContact CA-O 3.39Å; V496-V538 HydrophobicContact CG2-CG2 4.41Å
497	K	88.6	Confident	83	Confident	5 Å²	5	60 Å²	60	2%	0.022	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.3	170.4	-177.8	179.3	179.4	-173.7	0	108.4	F480 I499 E509 L537 L539 D607	F480-K497 HydrophobicContact CB-CG 4.42Å; K497-I499 HydrophobicContact CD-CD1 4.26Å; K497-I499 HydrophobicContact CG-CD1 4.33Å; K497-I499 HydrophobicContact CG-CG1 4.11Å; K497-E509 IonicContact NZ-OE1 3.58Å; K497-E509 PolarHBondContact NZ-OE1 2.69Å; K497-E509 IonicContact NZ-OE2 2.74Å; K497-E509 PolarHBondContact NZ-OE2 2.93Å; K497-L537 HydrophobicContact CB-CB 4.27Å; K497-L537 PolarHBondContact N-O 3.41Å; K497-L537 PolarHBondContact O-N 2.83Å; K497-L539 HydrophobicContact CB-CD1 4.24Å; K497-D607 IonicContact NZ-OD1 3.56Å; K497-D607 PolarHBondContact NZ-OD1 3.33Å
498	I	89.2	Confident	82.2	Confident	28 Å²	28	62.6 Å²	62.6	14%	0.144	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.1	-177.8	-49.5	176.6	0	0	0	108.5	V481 V496 Y534 F536	V481-I498 PolarHBondContact O-N 3.43Å; V496-I498 HydrophobicContact CG2-CG1 4.23Å; I498-Y534 HydrophobicContact CG2-CD1 4Å; I498-Y534 HydrophobicContact CG2-CG 4.27Å; I498-F536 HydrophobicContact CB-CD1 4.49Å; I498-F536 HydrophobicContact CD1-CD1 4.23Å; I498-F536 HydrophobicContact CD1-CE1 4.03Å; I498-F536 HydrophobicContact CG1-CD1 3.83Å; I498-F536 HydrophobicContact CG1-CE1 4.06Å; I498-F536 HydrophobicContact CG2-CD1 4.16Å; I498-F536 HydrophobicContact CG2-CE1 3.9Å; I498-F536 HydrophobicContact CG2-CZ 4.4Å
499	I	84.8	Confident	82	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	-174.7	-56.5	174.9	0	0	0	108.9	F480 K497 R501 K504 P506 Y534 V535 L537	F480-I499 HydrophobicContact CD1-CG1 4.15Å; F480-I499 HydrophobicContact CD1-CG2 4.32Å; F480-I499 HydrophobicContact CE1-CG2 4.21Å; K497-I499 HydrophobicContact CD-CD1 4.26Å; K497-I499 HydrophobicContact CG-CD1 4.33Å; K497-I499 HydrophobicContact CG-CG1 4.11Å; I499-R501 PolarHBondContact O-N 3.09Å; I499-K504 HydrophobicContact CG2-CB 4.28Å; I499-P506 HydrophobicContact CD1-CB 3.69Å; I499-P506 HydrophobicContact CG2-CB 4.33Å; I499-Y534 CarbonylContact O-C 3.26Å; I499-Y534 VanDerWaalsContact O-CA 3.3Å; I499-Y534 WeakPolarHBondContact O-CA 3.32Å; I499-V535 PolarHBondContact N-O 2.66Å; I499-V535 PolarHBondContact O-N 2.83Å; I499-L537 HydrophobicContact CD1-CD1 3.75Å; I499-L537 HydrophobicContact CD1-CG 4.24Å
500	D	83.1	Confident	81.8	Confident	33 Å²	33	50.5 Å²	50.5	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.5	172.4	-178	-18.6	0	0	0	109.6	A502 K503 K504 Y534	D500-A502 PolarHBondContact O-N 3.13Å; D500-A502 WeakPolarHBondContact OD1-CB 3.31Å; D500-A502 PolarHBondContact OD1-N 2.91Å; D500-K503 HydrophobicContact CB-CB 4.29Å; D500-K503 HydrophobicContact CB-CD 4.07Å; D500-K503 HydrophobicContact CB-CG 4.17Å; D500-K503 PolarHBondContact O-N 3.17Å; D500-K503 VanDerWaalsContact OD2-CE 3.28Å; D500-K503 WeakPolarHBondContact OD2-CE 3.49Å; D500-K503 IonicContact OD2-NZ 3.8Å; D500-K504 PolarHBondContact O-N 3.36Å; D500-K504 VanDerWaalsContact O-N 3.1Å; D500-Y534 HydrophobicContact CB-CD1 4.2Å; D500-Y534 HydrophobicContact CB-CE1 3.99Å
501	R	77.3	Confident	81.2	Confident	119 Å²	119	48.2 Å²	48.2	45%	0.449	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.8	-175.1	-171.7	179.5	-173.1	164.3	8.1	112.6	I499 K503 D530 Q533	I499-R501 PolarHBondContact O-N 3.09Å; R501-K503 PolarHBondContact O-N 3.03Å; R501-D530 IonicContact NH1-OD2 3.46Å; R501-D530 PolarHBondContact NH1-OD2 3.34Å; R501-Q533 WeakPolarHBondContact CB-O 3.22Å; R501-Q533 PolarHBondContact N-O 2.92Å
502	A	74.9	Confident	80.7	Confident	96 Å²	96	45.2 Å²	45.2	79%	0.793	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.5	178	0	0	0	0	0	112	D500	D500-A502 PolarHBondContact O-N 3.13Å; D500-A502 WeakPolarHBondContact OD1-CB 3.31Å; D500-A502 PolarHBondContact OD1-N 2.91Å
503	K	73.6	Confident	80.5	Confident	174 Å²	174	42.2 Å²	42.2	76%	0.757	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-34	-179.1	-64.5	-178.8	-174.7	170.4	0	112.9	D500 R501	D500-K503 HydrophobicContact CB-CB 4.29Å; D500-K503 HydrophobicContact CB-CD 4.07Å; D500-K503 HydrophobicContact CB-CG 4.17Å; D500-K503 PolarHBondContact O-N 3.17Å; D500-K503 VanDerWaalsContact OD2-CE 3.28Å; D500-K503 WeakPolarHBondContact OD2-CE 3.49Å; D500-K503 IonicContact OD2-NZ 3.8Å; R501-K503 PolarHBondContact O-N 3.03Å
504	K	72.5	Confident	79.9	Confident	43 Å²	43	43 Å²	43	19%	0.187	22%	0.223	C	C	.	.			trans	-155.4	134.5	-175.9	-177.2	175.4	177.7	-173.5	0	111.5	F480 I499 D500 P506 G609	F480-K504 HydrophobicContact CE1-CB 4.32Å; F480-K504 HydrophobicContact CE1-CD 3.71Å; F480-K504 HydrophobicContact CE2-CD 4.41Å; F480-K504 HydrophobicContact CZ-CD 3.36Å; I499-K504 HydrophobicContact CG2-CB 4.28Å; D500-K504 PolarHBondContact O-N 3.36Å; D500-K504 VanDerWaalsContact O-N 3.1Å; K504-P506 WeakPolarHBondContact O-CD 3.49Å; K504-G609 WeakPolarHBondContact CE-O 3.24Å; K504-G609 VanDerWaalsContact NZ-C 3.28Å; K504-G609 VanDerWaalsContact NZ-CA 3.3Å; K504-G609 PolarHBondContact NZ-O 3.36Å
505	D	72.6	Confident	79.3	Confident	109 Å²	109	44.9 Å²	44.9	58%	0.583	23%	0.23	S	C	*	.			trans	-79.4	116.2	168.6	-175.2	2.7	0	0	0	110.4	S507	D505-S507 VanDerWaalsContact C-N 3.34Å; D505-S507 VanDerWaalsContact OD1-CB 3.26Å; D505-S507 WeakPolarHBondContact OD1-CB 3.5Å; D505-S507 PolarHBondContact OD1-N 2.86Å; D505-S507 PolarHBondContact OD1-OG 3.01Å
506	P	77.7	Confident	79	Confident	4 Å²	4	45 Å²	45	3%	0.026	23%	0.229	C	C	.	.			trans	-87.6	1.8	179.5	36.2	-34.7	0	0	0	113.7	I499 K504 E508 E509 I510 V535	I499-P506 HydrophobicContact CD1-CB 3.69Å; I499-P506 HydrophobicContact CG2-CB 4.33Å; K504-P506 WeakPolarHBondContact O-CD 3.49Å; P506-E508 VanDerWaalsContact C-N 3.32Å; P506-E508 PolarHBondContact O-N 2.94Å; P506-E509 PolarHBondContact O-N 2.86Å; P506-E509 VanDerWaalsContact O-N 3.12Å; P506-I510 HydrophobicContact CB-CD1 4.09Å; P506-I510 HydrophobicContact CG-CD1 4.06Å; P506-I510 WeakPolarHBondContact O-CG1 3.45Å; P506-I510 PolarHBondContact O-N 2.92Å; P506-V535 HydrophobicContact CG-CB 3.85Å; P506-V535 HydrophobicContact CG-CG1 3.88Å; P506-V535 HydrophobicContact CG-CG2 3.79Å
507	S	71.2	Confident	78.5	Confident	65 Å²	65	45.2 Å²	45.2	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-54.7	-44.7	-171.6	-60.4	0	0	0	0	113.3	D505 I510 E511	D505-S507 VanDerWaalsContact C-N 3.34Å; D505-S507 VanDerWaalsContact OD1-CB 3.26Å; D505-S507 WeakPolarHBondContact OD1-CB 3.5Å; D505-S507 PolarHBondContact OD1-N 2.86Å; D505-S507 PolarHBondContact OD1-OG 3.01Å; S507-I510 PolarHBondContact O-N 3.16Å; S507-E511 WeakPolarHBondContact O-CB 3.43Å; S507-E511 PolarHBondContact O-N 3.33Å
508	E	69.7	Low	77.9	Confident	72 Å²	72	53 Å²	53	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-42.1	179.4	-168.4	74.9	-166.6	0	0	111.9	P506 I510 E511 I512 Q613	P506-E508 VanDerWaalsContact C-N 3.32Å; P506-E508 PolarHBondContact O-N 2.94Å; E508-I510 VanDerWaalsContact C-N 3.34Å; E508-I510 PolarHBondContact O-N 2.74Å; E508-E511 PolarHBondContact O-N 3.18Å; E508-I512 HydrophobicContact CG-CD1 4.02Å; E508-I512 WeakPolarHBondContact O-CG1 3.2Å; E508-I512 PolarHBondContact O-N 3.45Å; E508-Q613 VanDerWaalsContact OE1-CB 3.3Å; E508-Q613 WeakPolarHBondContact OE1-CB 3.32Å; E508-Q613 PolarHBondContact OE1-N 2.79Å; E508-Q613 VanDerWaalsContact OE1-N 3.08Å
509	E	82.4	Confident	77.9	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-43.4	177.8	179	173.7	-175.2	0	0	110.8	K497 P506 L513 L537 F608 G609	K497-E509 IonicContact NZ-OE1 3.58Å; K497-E509 PolarHBondContact NZ-OE1 2.69Å; K497-E509 IonicContact NZ-OE2 2.74Å; K497-E509 PolarHBondContact NZ-OE2 2.93Å; P506-E509 PolarHBondContact O-N 2.86Å; P506-E509 VanDerWaalsContact O-N 3.12Å; E509-L513 HydrophobicContact CG-CD1 3.94Å; E509-L513 WeakPolarHBondContact O-CB 3.32Å; E509-L513 VanDerWaalsContact O-CG 3.27Å; E509-L513 WeakPolarHBondContact O-CG 3.24Å; E509-L513 PolarHBondContact O-N 3.23Å; E509-L537 HydrophobicContact CG-CD1 4.37Å; E509-F608 HydrophobicContact CG-CB 4.13Å; E509-G609 VanDerWaalsContact CD-CA 3.43Å; E509-G609 WeakPolarHBondContact OE2-CA 3.33Å
510	I	79.3	Confident	78	Confident	21 Å²	21	57 Å²	57	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-47.3	176.2	-66.1	161.8	0	0	0	110.4	I458 P506 S507 E508 I512 L513 L514 L525 V528 V535 L537	I458-I510 HydrophobicContact CD1-CG2 4.48Å; P506-I510 HydrophobicContact CB-CD1 4.09Å; P506-I510 HydrophobicContact CG-CD1 4.06Å; P506-I510 WeakPolarHBondContact O-CG1 3.45Å; P506-I510 PolarHBondContact O-N 2.92Å; S507-I510 PolarHBondContact O-N 3.16Å; E508-I510 VanDerWaalsContact C-N 3.34Å; E508-I510 PolarHBondContact O-N 2.74Å; I510-I512 PolarHBondContact O-N 3.02Å; I510-L513 PolarHBondContact O-N 3.21Å; I510-L514 HydrophobicContact CG2-CD1 3.68Å; I510-L514 HydrophobicContact CG2-CG 4.13Å; I510-L514 WeakPolarHBondContact O-CB 3.29Å; I510-L514 VanDerWaalsContact O-CG 3.25Å; I510-L514 WeakPolarHBondContact O-CG 3.33Å; I510-L514 PolarHBondContact O-N 2.98Å; I510-L525 HydrophobicContact CG2-CD2 4.22Å; I510-V528 HydrophobicContact CD1-CG1 4.14Å; I510-V528 HydrophobicContact CG2-CG2 4.25Å; I510-V535 HydrophobicContact CD1-CG1 4.08Å; I510-L537 HydrophobicContact CD1-CD2 3.84Å; I510-L537 HydrophobicContact CG1-CD1 4.36Å; I510-L537 HydrophobicContact CG1-CD2 3.49Å; I510-L537 VanDerWaalsContact CG1-CD2 3.49Å
511	E	73.1	Confident	78.5	Confident	34 Å²	34	56.3 Å²	56.3	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-46.3	-178.8	173.5	153.9	-150.1	0	0	111.8	T388 S507 E508 R515	T388-E511 WeakPolarHBondContact CB-OE1 3.17Å; T388-E511 HydrophobicContact CG2-CG 4.31Å; T388-E511 VanDerWaalsContact OG1-CD 3.28Å; T388-E511 VanDerWaalsContact OG1-CG 3.28Å; T388-E511 WeakPolarHBondContact OG1-CG 3.2Å; T388-E511 PolarHBondContact OG1-OE1 2.88Å; S507-E511 WeakPolarHBondContact O-CB 3.43Å; S507-E511 PolarHBondContact O-N 3.33Å; E508-E511 PolarHBondContact O-N 3.18Å; E511-R515 VanDerWaalsContact O-CB 3.3Å; E511-R515 WeakPolarHBondContact O-CB 3.31Å; E511-R515 PolarHBondContact O-N 2.86Å; E511-R515 VanDerWaalsContact O-N 3.08Å; E511-R515 IonicContact OE1-NH2 3.61Å
512	I	77.1	Confident	79.3	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-46.9	177.4	-69.2	169.9	0	0	0	110.7	E508 I510 R515 Y516 V581 F608 A611	E508-I512 HydrophobicContact CG-CD1 4.02Å; E508-I512 WeakPolarHBondContact O-CG1 3.2Å; E508-I512 PolarHBondContact O-N 3.45Å; I510-I512 PolarHBondContact O-N 3.02Å; I512-R515 PolarHBondContact O-N 2.79Å; I512-Y516 HydrophobicContact CB-CD2 4.48Å; I512-Y516 HydrophobicContact CG2-CD2 4.02Å; I512-Y516 WeakPolarHBondContact O-CB 3.24Å; I512-Y516 VanDerWaalsContact O-CD2 3.31Å; I512-Y516 WeakPolarHBondContact O-CD2 3.39Å; I512-Y516 PolarHBondContact O-N 3.35Å; I512-V581 HydrophobicContact CD1-CG1 4.14Å; I512-V581 HydrophobicContact CG2-CG1 4.15Å; I512-F608 HydrophobicContact CG2-CD1 3.57Å; I512-F608 HydrophobicContact CG2-CE1 4.14Å; I512-F608 HydrophobicContact CG2-CG 4.29Å; I512-A611 HydrophobicContact CD1-CB 3.67Å
513	L	83	Confident	80.1	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-37.9	-178.9	-72.2	174	0	0	0	112.8	E509 I510 R515 G517 I522 I523 L525 L539 F608	E509-L513 HydrophobicContact CG-CD1 3.94Å; E509-L513 WeakPolarHBondContact O-CB 3.32Å; E509-L513 VanDerWaalsContact O-CG 3.27Å; E509-L513 WeakPolarHBondContact O-CG 3.24Å; E509-L513 PolarHBondContact O-N 3.23Å; I510-L513 PolarHBondContact O-N 3.21Å; L513-R515 VanDerWaalsContact C-N 3.3Å; L513-R515 PolarHBondContact O-N 2.79Å; L513-G517 WeakPolarHBondContact O-CA 3.46Å; L513-G517 PolarHBondContact O-N 3.38Å; L513-I522 HydrophobicContact CD2-CG2 4.27Å; L513-I523 HydrophobicContact CD2-CG2 3.76Å; L513-L525 HydrophobicContact CB-CB 3.91Å; L513-L525 HydrophobicContact CB-CD2 4.05Å; L513-L525 HydrophobicContact CD1-CB 4.49Å; L513-L539 HydrophobicContact CD1-CD2 4.09Å; L513-F608 HydrophobicContact CD2-CB 4.23Å; L513-F608 HydrophobicContact CD2-CD2 3.58Å; L513-F608 HydrophobicContact CD2-CE2 4.16Å; L513-F608 HydrophobicContact CD2-CG 3.97Å; L513-F608 HydrophobicContact CG-CB 4.26Å; L513-F608 HydrophobicContact CG-CD2 4.49Å; L513-F608 HydrophobicContact CG-CG 4.48Å
514	L	76.6	Confident	80.8	Confident	41 Å²	41	39.4 Å²	39.4	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-36.2	175.1	-74.5	176.3	0	0	0	111.9	T388 H457 I510 L525	T388-L514 HydrophobicContact CG2-CB 4.36Å; T388-L514 HydrophobicContact CG2-CD1 4.35Å; H457-L514 HydrophobicContact CB-CD2 4.17Å; I510-L514 HydrophobicContact CG2-CD1 3.68Å; I510-L514 HydrophobicContact CG2-CG 4.13Å; I510-L514 WeakPolarHBondContact O-CB 3.29Å; I510-L514 VanDerWaalsContact O-CG 3.25Å; I510-L514 WeakPolarHBondContact O-CG 3.33Å; I510-L514 PolarHBondContact O-N 2.98Å; L514-L525 HydrophobicContact CD2-CD2 3.99Å; L514-L525 HydrophobicContact CG-CD2 4.01Å
515	R	78.4	Confident	81.5	Confident	76 Å²	76	38.1 Å²	38.1	29%	0.287	20%	0.198	S	C	.	.	H	α-helix	trans	-83.6	-40.7	-175.3	-172.7	172	-74	-169.9	-6.4	113.1	K386 T388 E511 I512 L513	K386-R515 PolarHBondContact O-NH2 2.81Å; T388-R515 PolarHBondContact OG1-NE 2.85Å; T388-R515 PolarHBondContact OG1-NH2 2.82Å; E511-R515 VanDerWaalsContact O-CB 3.3Å; E511-R515 WeakPolarHBondContact O-CB 3.31Å; E511-R515 PolarHBondContact O-N 2.86Å; E511-R515 VanDerWaalsContact O-N 3.08Å; E511-R515 IonicContact OE1-NH2 3.61Å; I512-R515 PolarHBondContact O-N 2.79Å; L513-R515 VanDerWaalsContact C-N 3.3Å; L513-R515 PolarHBondContact O-N 2.79Å
516	Y	83.4	Confident	82.1	Confident	14 Å²	14	36.6 Å²	36.6	6%	0.055	18%	0.184	C	C	.	.	H	α-helix	trans	-115.5	-7.8	-169.2	-54.8	-66.8	0	0	0	113.6	I512 Q518 H519 Y575 Q579 V581 Q613	I512-Y516 HydrophobicContact CB-CD2 4.48Å; I512-Y516 HydrophobicContact CG2-CD2 4.02Å; I512-Y516 WeakPolarHBondContact O-CB 3.24Å; I512-Y516 VanDerWaalsContact O-CD2 3.31Å; I512-Y516 WeakPolarHBondContact O-CD2 3.39Å; I512-Y516 PolarHBondContact O-N 3.35Å; Y516-Q518 PolarHBondContact O-N 3.17Å; Y516-H519 WeakPolarHBondContact O-CB 3.33Å; Y516-H519 PolarHBondContact O-N 3.21Å; Y516-H519 VanDerWaalsContact O-N 3.11Å; Y516-Y575 HydrophobicContact CD1-CE1 4.13Å; Y516-Q579 HydrophobicContact CD1-CB 4.3Å; Y516-Q579 HydrophobicContact CD1-CG 4.12Å; Y516-Q579 HydrophobicContact CE1-CB 3.5Å; Y516-Q579 HydrophobicContact CE1-CG 3.58Å; Y516-V581 HydrophobicContact CD2-CG2 3.91Å; Y516-V581 HydrophobicContact CE2-CG2 3.41Å; Y516-V581 VanDerWaalsContact CE2-CG2 3.41Å; Y516-Q613 PolarHBondContact OH-OE1 3.39Å; Y516-Q613 VanDerWaalsContact OH-OE1 3.05Å
517	G	79.3	Confident	82.5	Confident	3 Å²	3	37 Å²	37	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.2	-178.5	0	0	0	0	0	115.6	L513 H519	L513-G517 WeakPolarHBondContact O-CA 3.46Å; L513-G517 PolarHBondContact O-N 3.38Å; G517-H519 VanDerWaalsContact C-N 3.29Å
518	Q	77.3	Confident	83.1	Confident	169 Å²	169	34 Å²	34	79%	0.79	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.8	171.9	-63.5	-175	6.6	0	0	112.9	Y516	Y516-Q518 PolarHBondContact O-N 3.17Å
519	H	87.6	Confident	83.8	Confident	34 Å²	34	30.8 Å²	30.8	16%	0.157	15%	0.15	C	C	.	.	S	Bend	trans	-62.9	133.7	175.7	-172.6	-84.7	0	0	0	110	Y516 G517 N521 I522 Y575	Y516-H519 WeakPolarHBondContact O-CB 3.33Å; Y516-H519 PolarHBondContact O-N 3.21Å; Y516-H519 VanDerWaalsContact O-N 3.11Å; G517-H519 VanDerWaalsContact C-N 3.29Å; H519-N521 PolarHBondContact CE1-OD1 2.93Å; H519-N521 PolarHBondContact ND1-N 3.03Å; H519-N521 PolarHBondContact O-N 3.29Å; H519-I522 HydrophobicContact CB-CB 4.22Å; H519-I522 HydrophobicContact CB-CD1 3.86Å; H519-I522 HydrophobicContact CB-CG1 3.96Å; H519-I522 PolarHBondContact O-N 2.86Å; H519-Y575 HydrophobicContact CB-CD1 4.19Å; H519-Y575 HydrophobicContact CB-CE1 3.88Å; H519-Y575 AromaticContact CD2-CD1 3.62Å; H519-Y575 AromaticContact CD2-CE1 3.96Å; H519-Y575 AromaticContact CD2-CG 3.73Å; H519-Y575 AromaticContact CG-CD1 3.94Å
520	P	88.8	Confident	83.8	Confident	77 Å²	77	34.1 Å²	34.1	50%	0.5	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24	-172.1	22.8	-34.9	0	0	0	114.2	R604	P520-R604 PolarHBondContact O-NH1 3.15Å
521	N	93.4	Very high	83.8	Confident	20 Å²	20	37.7 Å²	37.7	11%	0.107	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.4	179.2	-54	107.4	0	0	0	114	H519 T568 T572 E601 I603 R604 I605	H519-N521 PolarHBondContact CE1-OD1 2.93Å; H519-N521 PolarHBondContact ND1-N 3.03Å; H519-N521 PolarHBondContact O-N 3.29Å; N521-T568 WeakPolarHBondContact ND2-CG2 3.15Å; N521-T572 HydrophobicContact CB-CG2 3.99Å; N521-T572 WeakPolarHBondContact CB-OG1 3.37Å; N521-E601 PolarHBondContact ND2-O 3.3Å; N521-I603 VanDerWaalsContact CA-O 3.28Å; N521-I603 WeakPolarHBondContact CA-O 3.28Å; N521-I603 WeakPolarHBondContact CB-O 3.42Å; N521-I603 PolarHBondContact ND2-O 2.96Å; N521-R604 CarbonylContact O-C 3.57Å; N521-R604 VanDerWaalsContact O-CA 3.31Å; N521-R604 WeakPolarHBondContact O-CA 3.39Å; N521-I605 PolarHBondContact O-N 3.07Å
522	I	93.2	Very high	84	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-113.6	145.2	172.4	-62.8	-178.2	0	0	0	108.3	L513 H519 T572 Y575 L576 R604 F608	L513-I522 HydrophobicContact CD2-CG2 4.27Å; H519-I522 HydrophobicContact CB-CB 4.22Å; H519-I522 HydrophobicContact CB-CD1 3.86Å; H519-I522 HydrophobicContact CB-CG1 3.96Å; H519-I522 PolarHBondContact O-N 2.86Å; I522-T572 HydrophobicContact CD1-CG2 4.32Å; I522-T572 HydrophobicContact CG1-CG2 3.83Å; I522-Y575 HydrophobicContact CD1-CD1 4.33Å; I522-Y575 HydrophobicContact CD1-CE1 4.32Å; I522-L576 HydrophobicContact CD1-CD1 4.4Å; I522-L576 HydrophobicContact CD1-CD2 3.74Å; I522-L576 HydrophobicContact CD1-CG 4.13Å; I522-R604 PolarHBondContact O-NH1 2.91Å; I522-F608 HydrophobicContact CB-CZ 4.42Å; I522-F608 HydrophobicContact CD1-CZ 4.06Å; I522-F608 HydrophobicContact CG1-CZ 4.04Å; I522-F608 HydrophobicContact CG2-CE2 3.63Å; I522-F608 HydrophobicContact CG2-CZ 3.65Å
523	I	91.2	Very high	84.2	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.3	134.1	175	-167.3	163.4	0	0	0	111.3	L513 L539 M542 I605 C606	L513-I523 HydrophobicContact CD2-CG2 3.76Å; I523-L539 HydrophobicContact CD1-CB 3.85Å; I523-L539 HydrophobicContact CD1-CD1 4.14Å; I523-L539 HydrophobicContact CD1-CD2 4.32Å; I523-L539 HydrophobicContact CD1-CG 4.33Å; I523-L539 HydrophobicContact CG1-CB 4.14Å; I523-L539 HydrophobicContact CG1-CD2 4.19Å; I523-L539 HydrophobicContact CG2-CD2 4.27Å; I523-M542 HydrophobicContact CD1-CE 4.33Å; I523-M542 HydrophobicContact CG1-CE 4.18Å; I523-I605 WeakPolarHBondContact CB-O 3.39Å; I523-I605 WeakPolarHBondContact CG2-O 3.23Å; I523-I605 PolarHBondContact N-O 2.85Å; I523-C606 HydrophobicContact CD1-CB 4.14Å
524	T	88.1	Confident	84.3	Confident	31 Å²	31	47.2 Å²	47.2	19%	0.19	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-83	128.2	178.5	-35.6	0	0	0	0	110.6	L539 D540	T524-L539 WeakPolarHBondContact O-CA 3.37Å; T524-D540 WeakPolarHBondContact CB-OD2 3.18Å; T524-D540 PolarHBondContact O-N 3.13Å; T524-D540 VanDerWaalsContact O-N 3.11Å; T524-D540 PolarHBondContact OG1-OD2 3.25Å
525	L	87.9	Confident	84.7	Confident	15 Å²	15	45.6 Å²	45.6	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.8	165.4	-177.1	67.7	0	0	0	109.8	I510 L513 L514 V528 L537 L539	I510-L525 HydrophobicContact CG2-CD2 4.22Å; L513-L525 HydrophobicContact CB-CB 3.91Å; L513-L525 HydrophobicContact CB-CD2 4.05Å; L513-L525 HydrophobicContact CD1-CB 4.49Å; L514-L525 HydrophobicContact CD2-CD2 3.99Å; L514-L525 HydrophobicContact CG-CD2 4.01Å; L525-V528 HydrophobicContact CD1-CG2 4.07Å; L525-V528 HydrophobicContact CD2-CG2 3.69Å; L525-V528 HydrophobicContact CG-CG2 4.09Å; L525-L537 HydrophobicContact CD1-CB 3.81Å; L525-L537 HydrophobicContact CD1-CD2 4.34Å; L525-L539 HydrophobicContact CB-CD2 4.13Å; L525-L539 HydrophobicContact CD1-CD2 3.78Å; L525-L539 HydrophobicContact CD1-CG 4.35Å
526	R	85.8	Confident	85.2	Confident	78 Å²	78	43 Å²	43	29%	0.294	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-55.1	-176.9	-64.3	-67.9	-174.7	-174.8	-5.8	111.5	H457 Y494 V538 D540	H457-R526 WeakPolarHBondContact CA-O 3.34Å; Y494-R526 HydrophobicContact CD1-CG 3.98Å; Y494-R526 HydrophobicContact CE1-CB 4.38Å; Y494-R526 HydrophobicContact CE1-CG 3.76Å; R526-V538 WeakPolarHBondContact CA-O 3.41Å; R526-V538 HydrophobicContact CB-CG1 4.36Å; R526-V538 WeakPolarHBondContact CB-O 3.34Å; R526-V538 PolarHBondContact N-O 2.74Å; R526-D540 IonicContact CZ-OD1 2.63Å; R526-D540 VanDerWaalsContact CZ-OD1 3.22Å; R526-D540 IonicContact CZ-OD2 2.75Å; R526-D540 IonicContact NE-OD1 2.66Å; R526-D540 PolarHBondContact NE-OD1 3.09Å; R526-D540 IonicContact NE-OD2 2.93Å; R526-D540 VanDerWaalsContact NH2-CG 3.32Å; R526-D540 IonicContact NH2-OD1 2.83Å; R526-D540 PolarHBondContact NH2-OD1 3.09Å; R526-D540 IonicContact NH2-OD2 2.69Å; R526-D540 PolarHBondContact NH2-OD2 3.42Å
527	D	84.9	Confident	85.6	Confident	11 Å²	11	42.4 Å²	42.4	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155	-178.1	-77.9	-79.9	0	0	0	111.1	H457 R459 Y468 F529 V538	H457-D527 CarbonylContact O-C 3.58Å; H457-D527 VanDerWaalsContact O-C 3.31Å; H457-D527 VanDerWaalsContact O-CA 3.3Å; H457-D527 WeakPolarHBondContact O-CA 3.41Å; R459-D527 IonicContact NE-OD1 2.74Å; Y468-D527 HydrophobicContact CE2-CB 4.4Å; Y468-D527 PolarHBondContact OH-OD2 2.92Å; D527-F529 HydrophobicContact CB-CE2 3.78Å; D527-F529 HydrophobicContact CB-CZ 4.43Å; D527-V538 HydrophobicContact CB-CB 4.04Å; D527-V538 HydrophobicContact CB-CG2 4.15Å; D527-V538 PolarHBondContact N-O 2.96Å; D527-V538 WeakPolarHBondContact O-CB 3.34Å; D527-V538 PolarHBondContact O-N 2.83Å
528	V	85.3	Confident	86.1	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133	175.7	-177.9	0	0	0	0	109.3	H457 I458 R459 I510 L525 V535 F536 L537	H457-V528 PolarHBondContact O-N 2.99Å; I458-V528 VanDerWaalsContact CA-O 3.31Å; I458-V528 WeakPolarHBondContact CA-O 3.24Å; I458-V528 HydrophobicContact CB-CB 4.36Å; I458-V528 HydrophobicContact CD1-CB 3.92Å; I458-V528 HydrophobicContact CD1-CG1 4.14Å; I458-V528 HydrophobicContact CD1-CG2 4.25Å; I458-V528 HydrophobicContact CG1-CB 3.85Å; I458-V528 HydrophobicContact CG1-CG2 4.24Å; I458-V528 HydrophobicContact CG2-CB 4.33Å; R459-V528 PolarHBondContact N-O 2.92Å; R459-V528 VanDerWaalsContact N-O 3.09Å; I510-V528 HydrophobicContact CD1-CG1 4.14Å; I510-V528 HydrophobicContact CG2-CG2 4.25Å; L525-V528 HydrophobicContact CD1-CG2 4.07Å; L525-V528 HydrophobicContact CD2-CG2 3.69Å; L525-V528 HydrophobicContact CG-CG2 4.09Å; V528-V535 HydrophobicContact CG1-CG1 4.01Å; V528-F536 VanDerWaalsContact CA-O 3.3Å; V528-F536 WeakPolarHBondContact CA-O 3.33Å; V528-L537 HydrophobicContact CB-CD2 4.46Å; V528-L537 HydrophobicContact CG1-CD2 3.93Å; V528-L537 HydrophobicContact CG2-CD2 3.91Å
529	F	84.6	Confident	86.7	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.5	172.5	-58.3	-100	0	0	0	109.3	R459 V462 F464 T467 Y468 D527 V535 F536 V538	R459-F529 HydrophobicContact CB-CD1 4.09Å; R459-F529 HydrophobicContact CB-CE1 3.8Å; R459-F529 HydrophobicContact CG-CE1 4.17Å; R459-F529 HydrophobicContact CG-CZ 4.45Å; V462-F529 WeakPolarHBondContact O-CD1 3.4Å; F464-F529 HydrophobicContact CB-CB 3.96Å; F464-F529 HydrophobicContact CB-CD1 4.09Å; F464-F529 HydrophobicContact CB-CD2 4.21Å; F464-F529 HydrophobicContact CB-CG 3.83Å; F464-F529 AromaticContact CD2-CD2 3.7Å; F464-F529 HydrophobicContact CD2-CD2 3.7Å; F464-F529 HydrophobicContact CD2-CE2 4Å; F464-F529 HydrophobicContact CD2-CG 4.2Å; F464-F529 HydrophobicContact CG-CD2 4.45Å; T467-F529 HydrophobicContact CG2-CZ 4.26Å; Y468-F529 AromaticContact CD2-CE2 3.73Å; Y468-F529 HydrophobicContact CD2-CE2 3.73Å; Y468-F529 AromaticContact CD2-CZ 3.84Å; Y468-F529 HydrophobicContact CD2-CZ 3.84Å; Y468-F529 AromaticContact CE2-CE2 3.56Å; Y468-F529 HydrophobicContact CE2-CE2 3.56Å; Y468-F529 AromaticContact CE2-CZ 3.71Å; Y468-F529 HydrophobicContact CE2-CZ 3.71Å; D527-F529 HydrophobicContact CB-CE2 3.78Å; D527-F529 HydrophobicContact CB-CZ 4.43Å; F529-V535 CarbonylContact O-C 3.31Å; F529-V535 WeakPolarHBondContact O-CA 3.47Å; F529-F536 HydrophobicContact CB-CB 4.14Å; F529-F536 HydrophobicContact CB-CD2 4.11Å; F529-F536 HydrophobicContact CB-CG 4.49Å; F529-F536 PolarHBondContact N-O 3.32Å; F529-F536 PolarHBondContact O-N 2.82Å; F529-V538 HydrophobicContact CD2-CG2 4.24Å; F529-V538 HydrophobicContact CE2-CG2 4.02Å
530	D	82.1	Confident	86.8	Confident	75 Å²	75	33.8 Å²	33.8	40%	0.401	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115	175.6	-178	-3.6	0	0	0	107.4	R501 G532	R501-D530 IonicContact NH1-OD2 3.46Å; R501-D530 PolarHBondContact NH1-OD2 3.34Å; D530-G532 WeakPolarHBondContact OD1-CA 3.39Å; D530-G532 PolarHBondContact OD1-N 3.09Å
531	D	79.5	Confident	86.7	Confident	97 Å²	97	31.6 Å²	31.6	52%	0.519	17%	0.166	S	C	.	.			trans	-98.8	6.9	176.5	70.9	15.2	0	0	0	112.9	Q533 Y534 F536	D531-Q533 PolarHBondContact OD1-N 3.24Å; D531-Y534 PolarHBondContact N-O 2.96Å; D531-Y534 PolarHBondContact OD1-N 3.06Å; D531-F536 WeakPolarHBondContact OD2-CE2 3.32Å
532	G	76.4	Confident	86.5	Confident	45 Å²	45	31.9 Å²	31.9	46%	0.464	17%	0.167	S	C	.	.	S	Bend	trans	94.7	-35.4	-177	0	0	0	0	0	113.7	D530	D530-G532 WeakPolarHBondContact OD1-CA 3.39Å; D530-G532 PolarHBondContact OD1-N 3.09Å
533	Q	82.3	Confident	86	Confident	114 Å²	114	38.7 Å²	38.7	53%	0.533	19%	0.193	S	C	.	.	S	Bend	trans	-99.8	-44.4	179	-175.4	177.9	-3.4	0	0	111.6	R501 D531	R501-Q533 WeakPolarHBondContact CB-O 3.22Å; R501-Q533 PolarHBondContact N-O 2.92Å; D531-Q533 PolarHBondContact OD1-N 3.24Å
534	Y	84.1	Confident	85.5	Confident	81 Å²	81	38.9 Å²	38.9	32%	0.318	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.1	-178.7	-62	-75	0	0	0	111.1	I498 I499 D500 D531	I498-Y534 HydrophobicContact CG2-CD1 4Å; I498-Y534 HydrophobicContact CG2-CG 4.27Å; I499-Y534 CarbonylContact O-C 3.26Å; I499-Y534 VanDerWaalsContact O-CA 3.3Å; I499-Y534 WeakPolarHBondContact O-CA 3.32Å; D500-Y534 HydrophobicContact CB-CD1 4.2Å; D500-Y534 HydrophobicContact CB-CE1 3.99Å; D531-Y534 PolarHBondContact N-O 2.96Å; D531-Y534 PolarHBondContact OD1-N 3.06Å
535	V	85.8	Confident	85.2	Confident	6 Å²	6	42 Å²	42	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.1	169.4	-176.9	0	0	0	0	108.5	I499 P506 I510 V528 F529 L537	I499-V535 PolarHBondContact N-O 2.66Å; I499-V535 PolarHBondContact O-N 2.83Å; P506-V535 HydrophobicContact CG-CB 3.85Å; P506-V535 HydrophobicContact CG-CG1 3.88Å; P506-V535 HydrophobicContact CG-CG2 3.79Å; I510-V535 HydrophobicContact CD1-CG1 4.08Å; V528-V535 HydrophobicContact CG1-CG1 4.01Å; F529-V535 CarbonylContact O-C 3.31Å; F529-V535 WeakPolarHBondContact O-CA 3.47Å; V535-L537 HydrophobicContact CG1-CD2 3.96Å
536	F	89.2	Confident	85	Confident	23 Å²	23	42.5 Å²	42.5	10%	0.101	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.6	-179.1	-56	-100.5	0	0	0	109	F464 V496 I498 V528 F529 D531	F464-F536 HydrophobicContact CB-CD2 4.28Å; F464-F536 HydrophobicContact CB-CG 4.27Å; F464-F536 HydrophobicContact CD1-CD1 4.06Å; F464-F536 HydrophobicContact CD1-CE1 4.18Å; F464-F536 HydrophobicContact CD2-CB 3.98Å; F464-F536 HydrophobicContact CD2-CD1 4.17Å; F464-F536 HydrophobicContact CD2-CG 4.12Å; F464-F536 HydrophobicContact CE1-CD1 4.34Å; F464-F536 HydrophobicContact CE2-CB 4.44Å; F464-F536 HydrophobicContact CE2-CD1 4.44Å; F464-F536 HydrophobicContact CG-CB 4.41Å; F464-F536 AromaticContact CG-CD1 3.98Å; F464-F536 HydrophobicContact CG-CD1 3.98Å; F464-F536 HydrophobicContact CG-CE1 4.42Å; F464-F536 HydrophobicContact CG-CG 4.06Å; V496-F536 HydrophobicContact CG2-CB 3.86Å; V496-F536 HydrophobicContact CG2-CD1 4.13Å; I498-F536 HydrophobicContact CB-CD1 4.49Å; I498-F536 HydrophobicContact CD1-CD1 4.23Å; I498-F536 HydrophobicContact CD1-CE1 4.03Å; I498-F536 HydrophobicContact CG1-CD1 3.83Å; I498-F536 HydrophobicContact CG1-CE1 4.06Å; I498-F536 HydrophobicContact CG2-CD1 4.16Å; I498-F536 HydrophobicContact CG2-CE1 3.9Å; I498-F536 HydrophobicContact CG2-CZ 4.4Å; V528-F536 VanDerWaalsContact CA-O 3.3Å; V528-F536 WeakPolarHBondContact CA-O 3.33Å; F529-F536 HydrophobicContact CB-CB 4.14Å; F529-F536 HydrophobicContact CB-CD2 4.11Å; F529-F536 HydrophobicContact CB-CG 4.49Å; F529-F536 PolarHBondContact N-O 3.32Å; F529-F536 PolarHBondContact O-N 2.82Å; D531-F536 WeakPolarHBondContact OD2-CE2 3.32Å
537	L	90.4	Very high	85.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	107.5	174.4	-52.3	-174.8	0	0	0	109.2	V496 K497 I499 E509 I510 L525 V528 V535	V496-L537 CarbonylContact C-O 3.57Å; V496-L537 VanDerWaalsContact CA-O 3.31Å; V496-L537 WeakPolarHBondContact CA-O 3.39Å; K497-L537 HydrophobicContact CB-CB 4.27Å; K497-L537 PolarHBondContact N-O 3.41Å; K497-L537 PolarHBondContact O-N 2.83Å; I499-L537 HydrophobicContact CD1-CD1 3.75Å; I499-L537 HydrophobicContact CD1-CG 4.24Å; E509-L537 HydrophobicContact CG-CD1 4.37Å; I510-L537 HydrophobicContact CD1-CD2 3.84Å; I510-L537 HydrophobicContact CG1-CD1 4.36Å; I510-L537 HydrophobicContact CG1-CD2 3.49Å; I510-L537 VanDerWaalsContact CG1-CD2 3.49Å; L525-L537 HydrophobicContact CD1-CB 3.81Å; L525-L537 HydrophobicContact CD1-CD2 4.34Å; V528-L537 HydrophobicContact CB-CD2 4.46Å; V528-L537 HydrophobicContact CG1-CD2 3.93Å; V528-L537 HydrophobicContact CG2-CD2 3.91Å; V535-L537 HydrophobicContact CG1-CD2 3.96Å
538	V	90.4	Very high	85.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.5	176	-174	0	0	0	0	108.8	F464 Y468 Y494 S495 V496 R526 D527 F529	F464-V538 HydrophobicContact CD2-CG2 4.41Å; F464-V538 HydrophobicContact CE2-CG2 4Å; Y468-V538 HydrophobicContact CD2-CG2 4.3Å; Y468-V538 HydrophobicContact CE1-CG1 3.81Å; Y468-V538 HydrophobicContact CE2-CG1 4.48Å; Y468-V538 HydrophobicContact CE2-CG2 4.04Å; Y494-V538 HydrophobicContact CD1-CG1 4.26Å; Y494-V538 HydrophobicContact CD2-CG1 4.49Å; Y494-V538 HydrophobicContact CG-CG1 3.88Å; S495-V538 CarbonylContact O-C 3.59Å; S495-V538 WeakPolarHBondContact O-CA 3.33Å; V496-V538 HydrophobicContact CG2-CG2 4.41Å; R526-V538 WeakPolarHBondContact CA-O 3.41Å; R526-V538 HydrophobicContact CB-CG1 4.36Å; R526-V538 WeakPolarHBondContact CB-O 3.34Å; R526-V538 PolarHBondContact N-O 2.74Å; D527-V538 HydrophobicContact CB-CB 4.04Å; D527-V538 HydrophobicContact CB-CG2 4.15Å; D527-V538 PolarHBondContact N-O 2.96Å; D527-V538 WeakPolarHBondContact O-CB 3.34Å; D527-V538 PolarHBondContact O-N 2.83Å; F529-V538 HydrophobicContact CD2-CG2 4.24Å; F529-V538 HydrophobicContact CE2-CG2 4.02Å
539	L	90.5	Very high	85	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	160.3	-173.5	-61.3	159.7	0	0	0	110.1	Y494 S495 K497 L513 I523 T524 L525 V541	Y494-L539 WeakPolarHBondContact CB-O 3.26Å; S495-L539 PolarHBondContact N-O 2.81Å; S495-L539 PolarHBondContact O-N 3Å; K497-L539 HydrophobicContact CB-CD1 4.24Å; L513-L539 HydrophobicContact CD1-CD2 4.09Å; I523-L539 HydrophobicContact CD1-CB 3.85Å; I523-L539 HydrophobicContact CD1-CD1 4.14Å; I523-L539 HydrophobicContact CD1-CD2 4.32Å; I523-L539 HydrophobicContact CD1-CG 4.33Å; I523-L539 HydrophobicContact CG1-CB 4.14Å; I523-L539 HydrophobicContact CG1-CD2 4.19Å; I523-L539 HydrophobicContact CG2-CD2 4.27Å; T524-L539 WeakPolarHBondContact O-CA 3.37Å; L525-L539 HydrophobicContact CB-CD2 4.13Å; L525-L539 HydrophobicContact CD1-CD2 3.78Å; L525-L539 HydrophobicContact CD1-CG 4.35Å; L539-V541 PolarHBondContact O-N 2.74Å
540	D	88.8	Confident	84.9	Confident	24 Å²	24	41.4 Å²	41.4	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	138.5	168.3	-78.8	-21.5	0	0	0	111.3	T524 R526 M542	T524-D540 WeakPolarHBondContact CB-OD2 3.18Å; T524-D540 PolarHBondContact O-N 3.13Å; T524-D540 VanDerWaalsContact O-N 3.11Å; T524-D540 PolarHBondContact OG1-OD2 3.25Å; R526-D540 IonicContact CZ-OD1 2.63Å; R526-D540 VanDerWaalsContact CZ-OD1 3.22Å; R526-D540 IonicContact CZ-OD2 2.75Å; R526-D540 IonicContact NE-OD1 2.66Å; R526-D540 PolarHBondContact NE-OD1 3.09Å; R526-D540 IonicContact NE-OD2 2.93Å; R526-D540 VanDerWaalsContact NH2-CG 3.32Å; R526-D540 IonicContact NH2-OD1 2.83Å; R526-D540 PolarHBondContact NH2-OD1 3.09Å; R526-D540 IonicContact NH2-OD2 2.69Å; R526-D540 PolarHBondContact NH2-OD2 3.42Å; D540-M542 HydrophobicContact CB-CE 3.54Å; D540-M542 WeakPolarHBondContact O-CE 3.38Å
541	V	87.9	Confident	85.1	Confident	31 Å²	31	37.8 Å²	37.8	19%	0.188	19%	0.191	C	C	.	.			trans	-74.7	126.1	173	65.9	0	0	0	0	109.4	E493 L539 R543	E493-V541 HydrophobicContact CG-CG1 4.44Å; E493-V541 WeakPolarHBondContact O-CG1 3.46Å; L539-V541 PolarHBondContact O-N 2.74Å; V541-R543 HydrophobicContact CG1-CG 4.49Å
542	M	87.2	Confident	85.2	Confident	26 Å²	26	34 Å²	34	13%	0.128	17%	0.17	C	C	.	.			trans	-89.2	110.9	173.2	-58.9	-62.2	105.1	0	0	107.8	I523 D540 R592 A594 R604	I523-M542 HydrophobicContact CD1-CE 4.33Å; I523-M542 HydrophobicContact CG1-CE 4.18Å; D540-M542 HydrophobicContact CB-CE 3.54Å; D540-M542 WeakPolarHBondContact O-CE 3.38Å; M542-R592 HydrophobicContact CB-CB 4.17Å; M542-R592 HydrophobicContact CG-CB 4.29Å; M542-A594 HydrophobicContact SD-CB 4.28Å; M542-R604 HydrophobicContact SD-CB 4.08Å; M542-R604 HydrophobicContact SD-CG 4.26Å
543	R	84.1	Confident	85.5	Confident	144 Å²	144	40.3 Å²	40.3	54%	0.543	18%	0.18	S	C	.	.			trans	-83.2	-22.6	-179.4	-65.1	-174.9	179.2	-78.5	-13.2	112.5	E493 V541 A594	E493-R543 IonicContact OE2-CZ 2.73Å; E493-R543 IonicContact OE2-NH1 2.97Å; E493-R543 IonicContact OE2-NH2 2.71Å; E493-R543 PolarHBondContact OE2-NH2 3.35Å; V541-R543 HydrophobicContact CG1-CG 4.49Å; R543-A594 PolarHBondContact N-O 3.41Å
544	G	81.3	Confident	85.5	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	17%	0.172	C	C	.	.	S	Bend	trans	-79.4	159.5	177.5	0	0	0	0	0	113.3	Y593 D595	G544-Y593 WeakPolarHBondContact CA-O 3.46Å; G544-Y593 PolarHBondContact N-O 3.17Å; G544-D595 VanDerWaalsContact CA-O 3.31Å; G544-D595 WeakPolarHBondContact CA-O 3.22Å
545	N	80.1	Confident	85	Confident	96 Å²	96	39.4 Å²	39.4	51%	0.513	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-68.5	169.3	177	-68.3	-43.7	0	0	0	112.1	D549 Y593	N545-D549 HydrophobicContact CB-CB 4.45Å; N545-Y593 PolarHBondContact O-N 2.74Å
546	E	85.4	Confident	84.9	Confident	26 Å²	26	45 Å²	45	12%	0.121	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-58.2	142.3	166.5	-64.8	-177.3	174.1	0	0	110.6	L548 D549 K550 R592 K745	E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 3.27Å; E546-D549 HydrophobicContact CB-CB 4.43Å; E546-D549 PolarHBondContact O-N 3.04Å; E546-K550 PolarHBondContact O-N 2.86Å; E546-R592 HydrophobicContact CG-CG 4.22Å; E546-R592 IonicContact OE1-CZ 2.76Å; E546-R592 IonicContact OE1-NE 2.78Å; E546-R592 IonicContact OE1-NH2 3.91Å; E546-R592 PolarHBondContact OE1-NH2 3.3Å; E546-K745 IonicContact OE2-NZ 3.7Å; E546-K745 PolarHBondContact OE2-NZ 3.32Å
547	L	86.6	Confident	84.9	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-50	-51	-175.8	174.4	62.2	0	0	0	111.3	D549 K550 V551 I565 L569 I591 Y593 I603 L653	L547-D549 VanDerWaalsContact C-N 3.34Å; L547-D549 PolarHBondContact O-N 3.12Å; L547-K550 PolarHBondContact O-N 3Å; L547-V551 HydrophobicContact CD1-CG2 4.14Å; L547-V551 HydrophobicContact CG-CG2 4.49Å; L547-V551 VanDerWaalsContact O-CG2 3.28Å; L547-V551 WeakPolarHBondContact O-CG2 3.22Å; L547-V551 PolarHBondContact O-N 3.2Å; L547-I565 HydrophobicContact CD1-CD1 4.06Å; L547-I565 HydrophobicContact CD1-CG1 4.39Å; L547-I565 HydrophobicContact CD1-CG2 3.97Å; L547-I565 HydrophobicContact CD2-CG2 3.77Å; L547-I565 HydrophobicContact CG-CG2 4.41Å; L547-L569 HydrophobicContact CD2-CD1 4Å; L547-I591 HydrophobicContact CB-CB 4.25Å; L547-I591 HydrophobicContact CB-CG2 3.93Å; L547-I591 HydrophobicContact CD2-CB 4.38Å; L547-I591 HydrophobicContact CD2-CG2 3.73Å; L547-I591 HydrophobicContact CG-CG2 4.43Å; L547-I591 PolarHBondContact N-O 3.47Å; L547-Y593 HydrophobicContact CD1-CE1 4.42Å; L547-Y593 HydrophobicContact CD1-CE2 3.7Å; L547-Y593 WeakPolarHBondContact CD1-OH 2.96Å; L547-I603 HydrophobicContact CD1-CD1 3.84Å; L547-I603 HydrophobicContact CD1-CG1 4.34Å; L547-L653 HydrophobicContact CD2-CD2 3.9Å
548	L	84.2	Confident	85	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-30	-176.1	-170.6	64.3	0	0	0	112.8	E546 V551 L552 P588 T656 K745 L748	E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 3.27Å; L548-V551 PolarHBondContact O-N 3.29Å; L548-L552 HydrophobicContact CD1-CD1 4.02Å; L548-L552 HydrophobicContact CD1-CD2 4.26Å; L548-L552 HydrophobicContact CD1-CG 3.9Å; L548-L552 HydrophobicContact CD2-CD1 4.27Å; L548-L552 HydrophobicContact CG-CD1 3.71Å; L548-L552 HydrophobicContact CG-CG 4.03Å; L548-L552 WeakPolarHBondContact O-CB 3.23Å; L548-L552 WeakPolarHBondContact O-CG 3.4Å; L548-L552 PolarHBondContact O-N 2.68Å; L548-P588 HydrophobicContact CB-CB 3.86Å; L548-P588 HydrophobicContact CD2-CB 3.98Å; L548-P588 HydrophobicContact CD2-CG 3.95Å; L548-T656 HydrophobicContact CD1-CG2 4.11Å; L548-T656 HydrophobicContact CD2-CG2 4.44Å; L548-K745 HydrophobicContact CD2-CG 4.17Å; L548-L748 HydrophobicContact CD2-CD2 3.58Å
549	D	83.5	Confident	85.1	Confident	26 Å²	26	44.7 Å²	44.7	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-43.8	175.6	-76.9	-30.3	0	0	0	112	N545 E546 L547 R553 K745	N545-D549 HydrophobicContact CB-CB 4.45Å; E546-D549 HydrophobicContact CB-CB 4.43Å; E546-D549 PolarHBondContact O-N 3.04Å; L547-D549 VanDerWaalsContact C-N 3.34Å; L547-D549 PolarHBondContact O-N 3.12Å; D549-R553 WeakPolarHBondContact O-CB 3.34Å; D549-R553 VanDerWaalsContact O-CG 3.28Å; D549-R553 WeakPolarHBondContact O-CG 3.29Å; D549-R553 PolarHBondContact O-N 3.27Å; D549-K745 WeakPolarHBondContact OD1-CD 3.38Å; D549-K745 WeakPolarHBondContact OD1-CE 3.14Å; D549-K745 IonicContact OD1-NZ 2.93Å; D549-K745 PolarHBondContact OD1-NZ 3.06Å; D549-K745 IonicContact OD2-NZ 3.22Å; D549-K745 PolarHBondContact OD2-NZ 3.33Å
550	K	83.3	Confident	85.2	Confident	46 Å²	46	48 Å²	48	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-46.9	175.7	-176.6	162.5	-179.7	174.6	0	110	E546 L547 L552 R553 L554 Y593 E596 A597 G598	E546-K550 PolarHBondContact O-N 2.86Å; L547-K550 PolarHBondContact O-N 3Å; K550-L552 PolarHBondContact O-N 3.44Å; K550-R553 PolarHBondContact O-N 3.44Å; K550-L554 HydrophobicContact CG-CD1 3.9Å; K550-L554 HydrophobicContact CG-CG 4.17Å; K550-L554 VanDerWaalsContact O-CG 3.24Å; K550-L554 WeakPolarHBondContact O-CG 3.22Å; K550-L554 PolarHBondContact O-N 3.43Å; K550-Y593 HydrophobicContact CB-CD2 4.39Å; K550-Y593 HydrophobicContact CB-CE2 3.85Å; K550-Y593 HydrophobicContact CD-CD2 4.17Å; K550-Y593 HydrophobicContact CD-CE2 3.87Å; K550-Y593 HydrophobicContact CG-CE2 4.24Å; K550-E596 PolarHBondContact NZ-O 3.24Å; K550-A597 VanDerWaalsContact NZ-C 3.32Å; K550-A597 PolarHBondContact NZ-O 3.12Å; K550-G598 WeakPolarHBondContact CE-O 3.08Å; K550-G598 PolarHBondContact NZ-O 3.43Å
551	V	85.6	Confident	85.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-48.4	179.3	172	0	0	0	0	111.8	L547 L548 R553 L554 F557 I565 M657 R738	L547-V551 HydrophobicContact CD1-CG2 4.14Å; L547-V551 HydrophobicContact CG-CG2 4.49Å; L547-V551 VanDerWaalsContact O-CG2 3.28Å; L547-V551 WeakPolarHBondContact O-CG2 3.22Å; L547-V551 PolarHBondContact O-N 3.2Å; L548-V551 PolarHBondContact O-N 3.29Å; V551-R553 VanDerWaalsContact C-N 3.29Å; V551-R553 PolarHBondContact O-N 3.23Å; V551-L554 PolarHBondContact O-N 3.41Å; V551-F557 HydrophobicContact CB-CD2 4.48Å; V551-F557 HydrophobicContact CB-CE2 4.17Å; V551-F557 HydrophobicContact CG1-CD1 4.31Å; V551-F557 HydrophobicContact CG1-CD2 3.91Å; V551-F557 HydrophobicContact CG1-CE1 3.99Å; V551-F557 HydrophobicContact CG1-CE2 3.62Å; V551-F557 HydrophobicContact CG1-CG 4.22Å; V551-F557 HydrophobicContact CG1-CZ 3.64Å; V551-F557 HydrophobicContact CG2-CD2 4.39Å; V551-F557 HydrophobicContact CG2-CE2 3.73Å; V551-F557 HydrophobicContact CG2-CZ 4.2Å; V551-I565 HydrophobicContact CG2-CD1 3.75Å; V551-M657 HydrophobicContact CG1-CB 4.29Å; V551-M657 HydrophobicContact CG1-CG 3.95Å; V551-M657 HydrophobicContact CG1-SD 4.36Å; V551-M657 HydrophobicContact CG2-SD 4.15Å; V551-R738 PolarHBondContact O-NH1 3.42Å
552	L	82.7	Confident	85.5	Confident	16 Å²	16	48.2 Å²	48.2	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-70.1	-23	-176.7	-65.9	175.7	0	0	0	113.5	L548 K550 A741 V744	L548-L552 HydrophobicContact CD1-CD1 4.02Å; L548-L552 HydrophobicContact CD1-CD2 4.26Å; L548-L552 HydrophobicContact CD1-CG 3.9Å; L548-L552 HydrophobicContact CD2-CD1 4.27Å; L548-L552 HydrophobicContact CG-CD1 3.71Å; L548-L552 HydrophobicContact CG-CG 4.03Å; L548-L552 WeakPolarHBondContact O-CB 3.23Å; L548-L552 WeakPolarHBondContact O-CG 3.4Å; L548-L552 PolarHBondContact O-N 2.68Å; K550-L552 PolarHBondContact O-N 3.44Å; L552-A741 HydrophobicContact CB-CB 3.99Å; L552-A741 HydrophobicContact CD1-CB 3.95Å; L552-V744 HydrophobicContact CD1-CB 3.98Å; L552-V744 HydrophobicContact CD1-CG1 3.95Å; L552-V744 HydrophobicContact CD2-CG1 4.37Å
553	R	82.3	Confident	85.9	Confident	178 Å²	178	47 Å²	47	67%	0.672	23%	0.226	S	C	*	.	H	α-helix	trans	-93.6	-12.4	178.6	-67.1	178.7	-171.6	-173.6	4.4	114	D549 K550 V551 P555	D549-R553 WeakPolarHBondContact O-CB 3.34Å; D549-R553 VanDerWaalsContact O-CG 3.28Å; D549-R553 WeakPolarHBondContact O-CG 3.29Å; D549-R553 PolarHBondContact O-N 3.27Å; K550-R553 PolarHBondContact O-N 3.44Å; V551-R553 VanDerWaalsContact C-N 3.29Å; V551-R553 PolarHBondContact O-N 3.23Å; R553-P555 WeakPolarHBondContact O-CD 3.26Å
554	L	81.6	Confident	86.3	Confident	68 Å²	68	42 Å²	42	36%	0.356	21%	0.21	S	C	.	.			trans	-73.3	117.4	178.3	-80.8	168.1	0	0	0	110.2	K550 V551 N556 F557	K550-L554 HydrophobicContact CG-CD1 3.9Å; K550-L554 HydrophobicContact CG-CG 4.17Å; K550-L554 VanDerWaalsContact O-CG 3.24Å; K550-L554 WeakPolarHBondContact O-CG 3.22Å; K550-L554 PolarHBondContact O-N 3.43Å; V551-L554 PolarHBondContact O-N 3.41Å; L554-N556 VanDerWaalsContact C-N 3.33Å; L554-N556 PolarHBondContact O-N 3.43Å; L554-F557 HydrophobicContact CB-CB 4.18Å; L554-F557 HydrophobicContact CD1-CD2 4.22Å
555	P	74.7	Confident	86.9	Confident	108 Å²	108	41.9 Å²	41.9	70%	0.701	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.1	-173.8	27	-34.2	0	0	0	113.7	R553	R553-P555 WeakPolarHBondContact O-CD 3.26Å
556	N	84.3	Confident	87.6	Confident	123 Å²	123	37.3 Å²	37.3	66%	0.658	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115	32.1	-176.5	-65	-26.8	0	0	0	112.5	L554 T558	L554-N556 VanDerWaalsContact C-N 3.33Å; L554-N556 PolarHBondContact O-N 3.43Å; N556-T558 WeakPolarHBondContact O-CG2 3.29Å
557	F	89.1	Confident	88	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.013	18%	0.183	C	C	.	.			trans	-71.7	132.9	178.7	-172.2	-85.2	0	0	0	111	V551 L554 D561 A562 I565 M657 L736 R738	V551-F557 HydrophobicContact CB-CD2 4.48Å; V551-F557 HydrophobicContact CB-CE2 4.17Å; V551-F557 HydrophobicContact CG1-CD1 4.31Å; V551-F557 HydrophobicContact CG1-CD2 3.91Å; V551-F557 HydrophobicContact CG1-CE1 3.99Å; V551-F557 HydrophobicContact CG1-CE2 3.62Å; V551-F557 HydrophobicContact CG1-CG 4.22Å; V551-F557 HydrophobicContact CG1-CZ 3.64Å; V551-F557 HydrophobicContact CG2-CD2 4.39Å; V551-F557 HydrophobicContact CG2-CE2 3.73Å; V551-F557 HydrophobicContact CG2-CZ 4.2Å; L554-F557 HydrophobicContact CB-CB 4.18Å; L554-F557 HydrophobicContact CD1-CD2 4.22Å; F557-D561 WeakPolarHBondContact CA-OD2 3.39Å; F557-D561 HydrophobicContact CD1-CB 4.42Å; F557-D561 HydrophobicContact CD2-CB 3.69Å; F557-D561 HydrophobicContact CE1-CB 4.3Å; F557-D561 HydrophobicContact CE2-CB 3.47Å; F557-D561 VanDerWaalsContact CE2-CB 3.47Å; F557-D561 HydrophobicContact CG-CB 4.19Å; F557-D561 HydrophobicContact CZ-CB 3.83Å; F557-A562 HydrophobicContact CE1-CB 3.86Å; F557-A562 HydrophobicContact CZ-CB 3.95Å; F557-I565 HydrophobicContact CE2-CD1 3.74Å; F557-I565 HydrophobicContact CZ-CD1 4.01Å; F557-M657 HydrophobicContact CE1-CB 4.31Å; F557-M657 HydrophobicContact CZ-CB 4.39Å; F557-M657 HydrophobicContact CZ-SD 4.31Å; F557-L736 HydrophobicContact CD1-CD1 4.5Å; F557-L736 PolarHBondContact O-N 3.12Å; F557-R738 VanDerWaalsContact CB-NH1 3.26Å
558	T	92.1	Very high	88.4	Confident	13 Å²	13	37.7 Å²	37.7	8%	0.08	19%	0.188	C	C	.	.			trans	-117.1	174	-171.6	64.2	0	0	0	0	112.5	N556 R560 D561 A562 D733	N556-T558 WeakPolarHBondContact O-CG2 3.29Å; T558-R560 VanDerWaalsContact C-N 3.26Å; T558-R560 PolarHBondContact O-N 3.45Å; T558-R560 PolarHBondContact OG1-N 2.93Å; T558-D561 PolarHBondContact N-OD2 3.4Å; T558-D561 PolarHBondContact O-N 3.28Å; T558-D561 VanDerWaalsContact OG1-CG 3.27Å; T558-D561 PolarHBondContact OG1-N 2.87Å; T558-D561 PolarHBondContact OG1-OD2 3.44Å; T558-A562 PolarHBondContact O-N 3.03Å; T558-D733 WeakPolarHBondContact CG2-O 3.23Å
559	E	92.9	Very high	88.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-37	169.9	-172	-178.5	177.9	0	0	111.7	A562 S563 V694 S695 A698 W724 L731 S732	E559-A562 WeakPolarHBondContact O-CB 3.32Å; E559-A562 PolarHBondContact O-N 3.19Å; E559-S563 PolarHBondContact O-N 2.97Å; E559-V694 HydrophobicContact CB-CG1 4.27Å; E559-V694 HydrophobicContact CG-CB 4.34Å; E559-V694 HydrophobicContact CG-CG1 4.2Å; E559-V694 WeakPolarHBondContact OE2-CA 3.4Å; E559-S695 WeakPolarHBondContact OE1-CB 3.39Å; E559-S695 PolarHBondContact OE1-N 3.15Å; E559-S695 PolarHBondContact OE1-OG 2.89Å; E559-S695 PolarHBondContact OE2-N 3.36Å; E559-A698 WeakPolarHBondContact OE1-CB 3.32Å; E559-W724 HydrophobicContact CG-CZ2 4.23Å; E559-W724 PolarHBondContact OE1-NE1 3.13Å; E559-L731 HydrophobicContact CG-CB 4.41Å; E559-L731 HydrophobicContact CG-CD1 4.47Å; E559-S732 WeakPolarHBondContact OE2-CB 3.47Å
560	R	91.5	Very high	89.5	Confident	70 Å²	70	36.5 Å²	36.5	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-42.9	177.7	-171.6	179.2	-68.6	143.8	10.8	111.8	T558 A562 S563 D564 K728 E729 L731 D733	T558-R560 VanDerWaalsContact C-N 3.26Å; T558-R560 PolarHBondContact O-N 3.45Å; T558-R560 PolarHBondContact OG1-N 2.93Å; R560-A562 VanDerWaalsContact C-N 3.31Å; R560-A562 PolarHBondContact O-N 3.28Å; R560-S563 WeakPolarHBondContact O-CB 3.41Å; R560-S563 PolarHBondContact O-N 3.5Å; R560-S563 VanDerWaalsContact O-N 3.09Å; R560-D564 PolarHBondContact O-N 3.46Å; R560-K728 PolarHBondContact NE-O 2.98Å; R560-E729 PolarHBondContact NH2-O 3.49Å; R560-L731 HydrophobicContact CB-CB 4.46Å; R560-L731 PolarHBondContact NH2-O 3.29Å; R560-D733 VanDerWaalsContact CZ-CG 3.46Å; R560-D733 IonicContact CZ-OD1 2.95Å; R560-D733 IonicContact CZ-OD2 3.21Å; R560-D733 IonicContact NE-OD1 2.62Å; R560-D733 IonicContact NH1-OD1 2.79Å; R560-D733 PolarHBondContact NH1-OD1 3.06Å; R560-D733 IonicContact NH1-OD2 2.81Å; R560-D733 PolarHBondContact NH1-OD2 3.46Å; R560-D733 IonicContact NH2-OD1 3.24Å; R560-D733 PolarHBondContact NH2-OD1 3.14Å; R560-D733 IonicContact NH2-OD2 2.91Å; R560-D733 PolarHBondContact NH2-OD2 2.92Å
561	D	91.1	Very high	90.1	Very high	61 Å²	61	39.6 Å²	39.6	33%	0.326	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-40.6	176.7	-60.9	-52.9	0	0	0	111.8	F557 T558 S563 D564 I565	F557-D561 WeakPolarHBondContact CA-OD2 3.39Å; F557-D561 HydrophobicContact CD1-CB 4.42Å; F557-D561 HydrophobicContact CD2-CB 3.69Å; F557-D561 HydrophobicContact CE1-CB 4.3Å; F557-D561 HydrophobicContact CE2-CB 3.47Å; F557-D561 VanDerWaalsContact CE2-CB 3.47Å; F557-D561 HydrophobicContact CG-CB 4.19Å; F557-D561 HydrophobicContact CZ-CB 3.83Å; T558-D561 PolarHBondContact N-OD2 3.4Å; T558-D561 PolarHBondContact O-N 3.28Å; T558-D561 VanDerWaalsContact OG1-CG 3.27Å; T558-D561 PolarHBondContact OG1-N 2.87Å; T558-D561 PolarHBondContact OG1-OD2 3.44Å; D561-S563 VanDerWaalsContact C-N 3.31Å; D561-S563 PolarHBondContact O-N 2.9Å; D561-D564 PolarHBondContact O-N 3.32Å; D561-I565 WeakPolarHBondContact O-CG1 3.34Å; D561-I565 PolarHBondContact O-N 3.03Å; D561-I565 VanDerWaalsContact O-N 3.17Å
562	A	92.9	Very high	90.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-41	174.5	0	0	0	0	0	111.7	F557 T558 E559 R560 I565 I566 L654 M657 I658 W724	F557-A562 HydrophobicContact CE1-CB 3.86Å; F557-A562 HydrophobicContact CZ-CB 3.95Å; T558-A562 PolarHBondContact O-N 3.03Å; E559-A562 WeakPolarHBondContact O-CB 3.32Å; E559-A562 PolarHBondContact O-N 3.19Å; R560-A562 VanDerWaalsContact C-N 3.31Å; R560-A562 PolarHBondContact O-N 3.28Å; A562-I565 PolarHBondContact O-N 3.23Å; A562-I566 WeakPolarHBondContact O-CG1 3.41Å; A562-I566 PolarHBondContact O-N 3.15Å; A562-L654 HydrophobicContact CB-CD1 4.12Å; A562-M657 HydrophobicContact CB-CE 4.43Å; A562-I658 HydrophobicContact CB-CG1 4.41Å; A562-W724 HydrophobicContact CB-CH2 4.11Å; A562-W724 HydrophobicContact CB-CZ2 4.23Å
563	S	94.9	Very high	91.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-43.8	178.4	-173.1	0	0	0	0	112.1	E559 R560 D561 I565 I566 C567 W724	E559-S563 PolarHBondContact O-N 2.97Å; R560-S563 WeakPolarHBondContact O-CB 3.41Å; R560-S563 PolarHBondContact O-N 3.5Å; R560-S563 VanDerWaalsContact O-N 3.09Å; D561-S563 VanDerWaalsContact C-N 3.31Å; D561-S563 PolarHBondContact O-N 2.9Å; S563-I565 PolarHBondContact O-N 3.44Å; S563-I566 PolarHBondContact O-N 2.87Å; S563-C567 WeakPolarHBondContact O-CB 3.36Å; S563-C567 PolarHBondContact O-N 3.39Å; S563-W724 VanDerWaalsContact N-CH2 3.34Å; S563-W724 PolarHBondContact OG-O 3.33Å
564	D	92.1	Very high	91.7	Very high	38 Å²	38	33.8 Å²	33.8	20%	0.203	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-38.9	177.9	-76.8	-34.3	0	0	0	112.6	R560 D561 T568 P600 K728	R560-D564 PolarHBondContact O-N 3.46Å; D561-D564 PolarHBondContact O-N 3.32Å; D564-T568 PolarHBondContact O-N 3.04Å; D564-T568 VanDerWaalsContact O-N 3.11Å; D564-T568 PolarHBondContact O-OG1 3.31Å; D564-P600 HydrophobicContact CB-CB 4.36Å; D564-P600 HydrophobicContact CB-CG 3.99Å; D564-K728 WeakPolarHBondContact OD1-CD 3.24Å; D564-K728 IonicContact OD1-NZ 3.55Å; D564-K728 PolarHBondContact OD1-NZ 3.06Å
565	I	93.4	Very high	92.2	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-50.4	175.2	-69.2	167.4	0	0	0	110.9	L547 V551 F557 D561 A562 S563 C567 T568 L569 I603 M657	L547-I565 HydrophobicContact CD1-CD1 4.06Å; L547-I565 HydrophobicContact CD1-CG1 4.39Å; L547-I565 HydrophobicContact CD1-CG2 3.97Å; L547-I565 HydrophobicContact CD2-CG2 3.77Å; L547-I565 HydrophobicContact CG-CG2 4.41Å; V551-I565 HydrophobicContact CG2-CD1 3.75Å; F557-I565 HydrophobicContact CE2-CD1 3.74Å; F557-I565 HydrophobicContact CZ-CD1 4.01Å; D561-I565 WeakPolarHBondContact O-CG1 3.34Å; D561-I565 PolarHBondContact O-N 3.03Å; D561-I565 VanDerWaalsContact O-N 3.17Å; A562-I565 PolarHBondContact O-N 3.23Å; S563-I565 PolarHBondContact O-N 3.44Å; I565-C567 VanDerWaalsContact C-N 3.35Å; I565-C567 PolarHBondContact O-N 2.99Å; I565-T568 PolarHBondContact O-N 2.95Å; I565-L569 HydrophobicContact CG2-CD1 4.05Å; I565-L569 WeakPolarHBondContact O-CG 3.3Å; I565-L569 PolarHBondContact O-N 3.24Å; I565-I603 HydrophobicContact CB-CD1 4.37Å; I565-I603 HydrophobicContact CG1-CD1 4.05Å; I565-I603 HydrophobicContact CG2-CD1 4.03Å; I565-M657 HydrophobicContact CB-CE 4.41Å; I565-M657 HydrophobicContact CB-SD 4.47Å; I565-M657 HydrophobicContact CD1-SD 4.12Å; I565-M657 HydrophobicContact CG2-CE 3.98Å; I565-M657 HydrophobicContact CG2-SD 3.97Å
566	I	95.1	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-39.3	179.7	-68.4	-54.2	0	0	0	111.3	A562 S563 T568 L569 S570 L654 M657 V719 W724 I725	A562-I566 WeakPolarHBondContact O-CG1 3.41Å; A562-I566 PolarHBondContact O-N 3.15Å; S563-I566 PolarHBondContact O-N 2.87Å; I566-T568 VanDerWaalsContact C-N 3.3Å; I566-T568 PolarHBondContact O-N 3.29Å; I566-L569 PolarHBondContact O-N 2.68Å; I566-S570 VanDerWaalsContact O-CB 3.25Å; I566-S570 WeakPolarHBondContact O-CB 3.38Å; I566-S570 PolarHBondContact O-N 3.17Å; I566-S570 PolarHBondContact O-OG 2.98Å; I566-S570 VanDerWaalsContact O-OG 3.09Å; I566-L654 HydrophobicContact CD1-CB 3.92Å; I566-L654 HydrophobicContact CG1-CB 3.99Å; I566-L654 HydrophobicContact CG1-CD1 3.82Å; I566-L654 HydrophobicContact CG1-CD2 4.27Å; I566-L654 HydrophobicContact CG1-CG 4.22Å; I566-M657 HydrophobicContact CD1-CE 3.64Å; I566-M657 HydrophobicContact CG1-CE 3.77Å; I566-V719 HydrophobicContact CG2-CG1 4.37Å; I566-W724 HydrophobicContact CB-CZ3 4.08Å; I566-W724 HydrophobicContact CG1-CH2 4.49Å; I566-W724 HydrophobicContact CG1-CZ3 4.36Å; I566-W724 HydrophobicContact CG2-CZ3 4.25Å; I566-I725 HydrophobicContact CB-CD1 4.39Å; I566-I725 HydrophobicContact CG2-CD1 4.04Å
567	C	95.1	Very high	93	Very high	15 Å²	15	24.6 Å²	24.6	10%	0.101	12%	0.115	C	C	.	.	H	α-helix	trans	-56.4	-46.1	174.9	-176.7	0	0	0	0	111.2	S563 I565 K571 I725	S563-C567 WeakPolarHBondContact O-CB 3.36Å; S563-C567 PolarHBondContact O-N 3.39Å; I565-C567 VanDerWaalsContact C-N 3.35Å; I565-C567 PolarHBondContact O-N 2.99Å; C567-K571 WeakPolarHBondContact O-CB 3.43Å; C567-K571 VanDerWaalsContact O-CG 3.29Å; C567-K571 WeakPolarHBondContact O-CG 3.42Å; C567-K571 PolarHBondContact O-N 2.61Å; C567-K571 VanDerWaalsContact SG-CE 3.56Å; C567-I725 HydrophobicContact CB-CD1 4.21Å; C567-I725 HydrophobicContact CB-CG2 4.09Å
568	T	94.6	Very high	92.7	Very high	20 Å²	20	27.8 Å²	27.8	12%	0.123	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-46	178.4	-56.9	0	0	0	0	112	N521 D564 I565 I566 K571 T572	N521-T568 WeakPolarHBondContact ND2-CG2 3.15Å; D564-T568 PolarHBondContact O-N 3.04Å; D564-T568 VanDerWaalsContact O-N 3.11Å; D564-T568 PolarHBondContact O-OG1 3.31Å; I565-T568 PolarHBondContact O-N 2.95Å; I566-T568 VanDerWaalsContact C-N 3.3Å; I566-T568 PolarHBondContact O-N 3.29Å; T568-K571 PolarHBondContact O-N 2.93Å; T568-T572 PolarHBondContact O-N 3.46Å; T568-T572 VanDerWaalsContact O-N 3.14Å; T568-T572 PolarHBondContact O-OG1 2.87Å
569	L	95.1	Very high	92.1	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-43.5	178.4	-69.6	174.5	0	0	0	111.9	L547 I565 I566 K571 T572 V573 I591 I603 I605 L650 L653	L547-L569 HydrophobicContact CD2-CD1 4Å; I565-L569 HydrophobicContact CG2-CD1 4.05Å; I565-L569 WeakPolarHBondContact O-CG 3.3Å; I565-L569 PolarHBondContact O-N 3.24Å; I566-L569 PolarHBondContact O-N 2.68Å; L569-K571 PolarHBondContact O-N 2.7Å; L569-T572 WeakPolarHBondContact O-CB 3.33Å; L569-T572 PolarHBondContact O-N 3.18Å; L569-T572 VanDerWaalsContact O-N 3.17Å; L569-V573 WeakPolarHBondContact O-CG2 3.36Å; L569-V573 PolarHBondContact O-N 3.19Å; L569-I591 HydrophobicContact CD1-CD1 4.14Å; L569-I591 HydrophobicContact CD2-CD1 4.11Å; L569-I591 HydrophobicContact CD2-CG2 4Å; L569-I603 HydrophobicContact CD2-CG2 3.81Å; L569-I605 HydrophobicContact CD2-CG1 4.44Å; L569-L650 HydrophobicContact CB-CD2 3.83Å; L569-L650 HydrophobicContact CD1-CD2 3.94Å; L569-L650 HydrophobicContact CG-CD2 4.45Å; L569-L653 HydrophobicContact CD1-CD2 3.58Å
570	S	95.9	Very high	91.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-35.3	178.2	-66.8	0	0	0	0	112.7	I566 T572 V573 E574 V719	I566-S570 VanDerWaalsContact O-CB 3.25Å; I566-S570 WeakPolarHBondContact O-CB 3.38Å; I566-S570 PolarHBondContact O-N 3.17Å; I566-S570 PolarHBondContact O-OG 2.98Å; I566-S570 VanDerWaalsContact O-OG 3.09Å; S570-T572 VanDerWaalsContact C-N 3.33Å; S570-V573 PolarHBondContact O-N 3.34Å; S570-E574 WeakPolarHBondContact O-CB 3.49Å; S570-E574 PolarHBondContact O-N 3.49Å; S570-V719 WeakPolarHBondContact OG-CG1 3.43Å
571	K	95.5	Very high	90.7	Very high	112 Å²	112	28 Å²	28	49%	0.487	15%	0.146	S	C	.	.	H	α-helix	trans	-61.3	-42.8	170.2	-77.1	171.3	-179.7	170.1	0	111.5	C567 T568 L569 E574 Y575 L720	C567-K571 WeakPolarHBondContact O-CB 3.43Å; C567-K571 VanDerWaalsContact O-CG 3.29Å; C567-K571 WeakPolarHBondContact O-CG 3.42Å; C567-K571 PolarHBondContact O-N 2.61Å; C567-K571 VanDerWaalsContact SG-CE 3.56Å; T568-K571 PolarHBondContact O-N 2.93Å; L569-K571 PolarHBondContact O-N 2.7Å; K571-E574 PolarHBondContact O-N 3.35Å; K571-Y575 WeakPolarHBondContact O-CB 3.36Å; K571-Y575 PolarHBondContact O-N 2.84Å; K571-L720 HydrophobicContact CG-CD1 4.14Å; K571-L720 HydrophobicContact CG-CD2 3.77Å
572	T	94.9	Very high	90.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-67.1	-42.2	179.1	-50.2	0	0	0	0	111.7	N521 I522 T568 L569 S570 Y575 L576 I605	N521-T572 HydrophobicContact CB-CG2 3.99Å; N521-T572 WeakPolarHBondContact CB-OG1 3.37Å; I522-T572 HydrophobicContact CD1-CG2 4.32Å; I522-T572 HydrophobicContact CG1-CG2 3.83Å; T568-T572 PolarHBondContact O-N 3.46Å; T568-T572 VanDerWaalsContact O-N 3.14Å; T568-T572 PolarHBondContact O-OG1 2.87Å; L569-T572 WeakPolarHBondContact O-CB 3.33Å; L569-T572 PolarHBondContact O-N 3.18Å; L569-T572 VanDerWaalsContact O-N 3.17Å; S570-T572 VanDerWaalsContact C-N 3.33Å; T572-Y575 PolarHBondContact O-N 2.9Å; T572-L576 WeakPolarHBondContact O-CG 3.38Å; T572-L576 PolarHBondContact O-N 3.33Å; T572-I605 HydrophobicContact CG2-CD1 3.69Å; T572-I605 HydrophobicContact CG2-CG1 4.46Å
573	V	93.4	Very high	89.7	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-39.7	177	172.6	0	0	0	0	111.3	L569 S570 L576 H577 L586 D646 I647 L650 A716	L569-V573 WeakPolarHBondContact O-CG2 3.36Å; L569-V573 PolarHBondContact O-N 3.19Å; S570-V573 PolarHBondContact O-N 3.34Å; V573-L576 PolarHBondContact O-N 2.75Å; V573-H577 WeakPolarHBondContact CG1-CE1 3.33Å; V573-H577 WeakPolarHBondContact CG1-NE2 3.43Å; V573-H577 WeakPolarHBondContact O-CB 3.27Å; V573-H577 PolarHBondContact O-CD2 2.8Å; V573-H577 VanDerWaalsContact O-CG 3.24Å; V573-H577 PolarHBondContact O-N 3.5Å; V573-L586 HydrophobicContact CG2-CD1 3.65Å; V573-D646 HydrophobicContact CG1-CB 4.17Å; V573-I647 HydrophobicContact CG1-CD1 4.35Å; V573-L650 HydrophobicContact CB-CD1 4.48Å; V573-L650 HydrophobicContact CG2-CD1 4.08Å; V573-A716 HydrophobicContact CG1-CB 4.12Å
574	E	94.3	Very high	89	Confident	71 Å²	71	30.1 Å²	30.1	33%	0.332	15%	0.15	S	C	.	.	H	α-helix	trans	-61.9	-43.7	173.9	-173.2	-87.9	171.6	0	0	111.5	S570 K571 L576 H577 S578 A716 P717 L720	S570-E574 WeakPolarHBondContact O-CB 3.49Å; S570-E574 PolarHBondContact O-N 3.49Å; K571-E574 PolarHBondContact O-N 3.35Å; E574-L576 PolarHBondContact O-N 3.36Å; E574-H577 PolarHBondContact O-N 3.01Å; E574-S578 VanDerWaalsContact O-CB 3.31Å; E574-S578 WeakPolarHBondContact O-CB 3.34Å; E574-S578 PolarHBondContact O-N 2.83Å; E574-A716 HydrophobicContact CB-CB 3.74Å; E574-A716 HydrophobicContact CG-CB 4.37Å; E574-P717 HydrophobicContact CG-CG 3.83Å; E574-L720 HydrophobicContact CB-CD1 3.92Å; E574-L720 HydrophobicContact CG-CD1 4.14Å
575	Y	92.9	Very high	88.5	Confident	66 Å²	66	28.7 Å²	28.7	26%	0.259	14%	0.143	S	C	.	.	H	α-helix	trans	-55.9	-50.6	172.9	170.6	-104.4	0	0	0	111.1	Y516 H519 I522 K571 T572 S578 Q579	Y516-Y575 HydrophobicContact CD1-CE1 4.13Å; H519-Y575 HydrophobicContact CB-CD1 4.19Å; H519-Y575 HydrophobicContact CB-CE1 3.88Å; H519-Y575 AromaticContact CD2-CD1 3.62Å; H519-Y575 AromaticContact CD2-CE1 3.96Å; H519-Y575 AromaticContact CD2-CG 3.73Å; H519-Y575 AromaticContact CG-CD1 3.94Å; I522-Y575 HydrophobicContact CD1-CD1 4.33Å; I522-Y575 HydrophobicContact CD1-CE1 4.32Å; K571-Y575 WeakPolarHBondContact O-CB 3.36Å; K571-Y575 PolarHBondContact O-N 2.84Å; T572-Y575 PolarHBondContact O-N 2.9Å; Y575-S578 PolarHBondContact O-N 2.87Å; Y575-S578 PolarHBondContact O-OG 2.77Å; Y575-Q579 HydrophobicContact CE2-CG 4.28Å; Y575-Q579 WeakPolarHBondContact O-CG 3.5Å; Y575-Q579 PolarHBondContact O-N 2.98Å
576	L	88.3	Confident	87.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-50.1	177.3	-72	171.6	0	0	0	111.7	I522 T572 V573 E574 S578 Q579 G580 V581 F608	I522-L576 HydrophobicContact CD1-CD1 4.4Å; I522-L576 HydrophobicContact CD1-CD2 3.74Å; I522-L576 HydrophobicContact CD1-CG 4.13Å; T572-L576 WeakPolarHBondContact O-CG 3.38Å; T572-L576 PolarHBondContact O-N 3.33Å; V573-L576 PolarHBondContact O-N 2.75Å; E574-L576 PolarHBondContact O-N 3.36Å; L576-S578 VanDerWaalsContact C-N 3.33Å; L576-S578 PolarHBondContact O-N 2.89Å; L576-Q579 CarbonylContact O-C 3.5Å; L576-Q579 WeakPolarHBondContact O-CA 3.46Å; L576-Q579 PolarHBondContact O-N 2.87Å; L576-G580 PolarHBondContact O-N 3.39Å; L576-V581 CarbonylContact C-O 3.44Å; L576-V581 HydrophobicContact CB-CB 4.21Å; L576-V581 HydrophobicContact CD2-CB 4.06Å; L576-V581 HydrophobicContact CD2-CG1 3.98Å; L576-V581 PolarHBondContact O-N 3.47Å; L576-F608 HydrophobicContact CD1-CE1 3.82Å; L576-F608 HydrophobicContact CD1-CZ 4.15Å; L576-F608 HydrophobicContact CD2-CE1 4.01Å
577	H	86.6	Confident	87.3	Confident	38 Å²	38	30.3 Å²	30.3	18%	0.176	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-38.8	-179	-70.8	-173.2	0	0	0	111.8	V573 E574 Q579 G580 V581 A643 D646	V573-H577 WeakPolarHBondContact CG1-CE1 3.33Å; V573-H577 WeakPolarHBondContact CG1-NE2 3.43Å; V573-H577 WeakPolarHBondContact O-CB 3.27Å; V573-H577 PolarHBondContact O-CD2 2.8Å; V573-H577 VanDerWaalsContact O-CG 3.24Å; V573-H577 PolarHBondContact O-N 3.5Å; E574-H577 PolarHBondContact O-N 3.01Å; H577-Q579 PolarHBondContact O-N 3.36Å; H577-G580 WeakPolarHBondContact O-CA 3.41Å; H577-G580 PolarHBondContact O-N 2.88Å; H577-V581 PolarHBondContact CD2-O 2.85Å; H577-V581 VanDerWaalsContact CD2-O 3.29Å; H577-V581 PolarHBondContact N-O 2.97Å; H577-A643 PolarHBondContact CE1-O 3Å; H577-D646 IonicContact CD2-OD2 2.99Å; H577-D646 IonicContact CE1-OD2 2.86Å; H577-D646 IonicContact NE2-OD2 3.74Å; H577-D646 PolarHBondContact NE2-OD2 2.82Å
578	S	84.3	Confident	86.4	Confident	70 Å²	70	30 Å²	30	49%	0.49	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-27.7	176	80.4	0	0	0	0	112.9	E574 Y575 L576 G580	E574-S578 VanDerWaalsContact O-CB 3.31Å; E574-S578 WeakPolarHBondContact O-CB 3.34Å; E574-S578 PolarHBondContact O-N 2.83Å; Y575-S578 PolarHBondContact O-N 2.87Å; Y575-S578 PolarHBondContact O-OG 2.77Å; L576-S578 VanDerWaalsContact C-N 3.33Å; L576-S578 PolarHBondContact O-N 2.89Å; S578-G580 VanDerWaalsContact C-N 3.27Å
579	Q	78.6	Confident	85.6	Confident	68 Å²	68	30.6 Å²	30.6	32%	0.318	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.7	174.1	-60	-54.3	-52.6	0	0	112.2	Y516 Y575 L576 H577 V581 Q613	Y516-Q579 HydrophobicContact CD1-CB 4.3Å; Y516-Q579 HydrophobicContact CD1-CG 4.12Å; Y516-Q579 HydrophobicContact CE1-CB 3.5Å; Y516-Q579 HydrophobicContact CE1-CG 3.58Å; Y575-Q579 HydrophobicContact CE2-CG 4.28Å; Y575-Q579 WeakPolarHBondContact O-CG 3.5Å; Y575-Q579 PolarHBondContact O-N 2.98Å; L576-Q579 CarbonylContact O-C 3.5Å; L576-Q579 WeakPolarHBondContact O-CA 3.46Å; L576-Q579 PolarHBondContact O-N 2.87Å; H577-Q579 PolarHBondContact O-N 3.36Å; Q579-V581 VanDerWaalsContact C-N 3.34Å; Q579-Q613 PolarHBondContact O-NE2 3.17Å
580	G	74.9	Confident	85.1	Confident	21 Å²	21	30.7 Å²	30.7	22%	0.216	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	13.5	-176.1	0	0	0	0	0	113.8	L576 H577 S578 Q613 L614	L576-G580 PolarHBondContact O-N 3.39Å; H577-G580 WeakPolarHBondContact O-CA 3.41Å; H577-G580 PolarHBondContact O-N 2.88Å; S578-G580 VanDerWaalsContact C-N 3.27Å; G580-Q613 PolarHBondContact O-NE2 3.49Å; G580-L614 CarbonylContact O-C 3.52Å; G580-L614 WeakPolarHBondContact O-CA 3.15Å; G580-L614 WeakPolarHBondContact O-CB 3.49Å; G580-L614 PolarHBondContact O-N 3.4Å
581	V	79.7	Confident	84.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.9	178.1	179.7	0	0	0	0	110.2	I512 Y516 L576 H577 Q579 A611 K612	I512-V581 HydrophobicContact CD1-CG1 4.14Å; I512-V581 HydrophobicContact CG2-CG1 4.15Å; Y516-V581 HydrophobicContact CD2-CG2 3.91Å; Y516-V581 HydrophobicContact CE2-CG2 3.41Å; Y516-V581 VanDerWaalsContact CE2-CG2 3.41Å; L576-V581 CarbonylContact C-O 3.44Å; L576-V581 HydrophobicContact CB-CB 4.21Å; L576-V581 HydrophobicContact CD2-CB 4.06Å; L576-V581 HydrophobicContact CD2-CG1 3.98Å; L576-V581 PolarHBondContact O-N 3.47Å; H577-V581 PolarHBondContact CD2-O 2.85Å; H577-V581 VanDerWaalsContact CD2-O 3.29Å; H577-V581 PolarHBondContact N-O 2.97Å; Q579-V581 VanDerWaalsContact C-N 3.34Å; V581-A611 HydrophobicContact CG1-CB 4.45Å; V581-K612 WeakPolarHBondContact CA-O 3.45Å
582	V	81.3	Confident	84.5	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140	167.8	-70	0	0	0	0	110.3	R584 A611 K612 L614 D642 A643	V582-R584 HydrophobicContact CB-CG 4.21Å; V582-R584 HydrophobicContact CG2-CG 3.8Å; V582-A611 CarbonylContact O-C 3.59Å; V582-A611 WeakPolarHBondContact O-CA 3.44Å; V582-K612 HydrophobicContact CG2-CB 4.35Å; V582-K612 PolarHBondContact N-O 3.37Å; V582-K612 PolarHBondContact O-N 2.66Å; V582-L614 HydrophobicContact CB-CD1 4.23Å; V582-L614 HydrophobicContact CB-CG 4.45Å; V582-L614 HydrophobicContact CG1-CD1 3.38Å; V582-L614 HydrophobicContact CG1-CG 4.04Å; V582-L614 HydrophobicContact CG2-CD1 3.83Å; V582-L614 HydrophobicContact CG2-CD2 3.75Å; V582-L614 HydrophobicContact CG2-CG 3.7Å; V582-D642 HydrophobicContact CB-CB 4.38Å; V582-D642 HydrophobicContact CG1-CB 4.44Å; V582-D642 HydrophobicContact CG2-CB 3.99Å; V582-A643 HydrophobicContact CG1-CB 3.9Å
583	H	83.8	Confident	84.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.			trans	-85	-41.4	-172.8	-175.5	-76.4	0	0	0	112.5	D585 L586 I605 D607 F608 F610 A611 D646	H583-D585 VanDerWaalsContact CE1-C 3.43Å; H583-D585 PolarHBondContact CE1-O 2.74Å; H583-D585 VanDerWaalsContact CE1-O 3.32Å; H583-D585 VanDerWaalsContact ND1-C 3.25Å; H583-D585 PolarHBondContact ND1-N 2.74Å; H583-D585 PolarHBondContact O-N 2.71Å; H583-L586 HydrophobicContact CB-CD1 4.41Å; H583-L586 HydrophobicContact CB-CD2 4.04Å; H583-L586 HydrophobicContact CB-CG 3.88Å; H583-L586 WeakPolarHBondContact ND1-CD2 3.39Å; H583-L586 PolarHBondContact ND1-N 3.02Å; H583-L586 VanDerWaalsContact ND1-N 3.15Å; H583-I605 WeakPolarHBondContact NE2-CG2 3.45Å; H583-D607 PolarHBondContact CE1-O 2.8Å; H583-D607 PolarHBondContact NE2-O 3.48Å; H583-F608 AromaticContact CD2-CD1 3.96Å; H583-F608 AromaticContact CD2-CE1 3.81Å; H583-F610 CarbonylContact O-C 3.39Å; H583-A611 WeakPolarHBondContact O-CA 3.46Å; H583-A611 PolarHBondContact O-N 3.22Å; H583-D646 PolarHBondContact N-OD2 3.48Å
584	R	80.2	Confident	83.8	Confident	103 Å²	103	27.7 Å²	27.7	39%	0.389	14%	0.143	S	C	.	.	S	Bend	trans	63	-9.9	175	-48.6	-171.8	-51.2	159.3	10	117.7	V582 F610 D642 D646	V582-R584 HydrophobicContact CB-CG 4.21Å; V582-R584 HydrophobicContact CG2-CG 3.8Å; R584-F610 PolarHBondContact NE-O 2.85Å; R584-F610 PolarHBondContact NH2-O 2.9Å; R584-D642 WeakPolarHBondContact CD-OD2 3.48Å; R584-D642 HydrophobicContact CG-CB 4.37Å; R584-D646 PolarHBondContact N-OD1 2.8Å
585	D	80.9	Confident	83.3	Confident	9 Å²	9	27.5 Å²	27.5	5%	0.048	14%	0.144	C	C	.	.			trans	-131.7	40	173.1	-164.8	51.6	0	0	0	111.4	H583 K587 N590 F610 K756	H583-D585 VanDerWaalsContact CE1-C 3.43Å; H583-D585 PolarHBondContact CE1-O 2.74Å; H583-D585 VanDerWaalsContact CE1-O 3.32Å; H583-D585 VanDerWaalsContact ND1-C 3.25Å; H583-D585 PolarHBondContact ND1-N 2.74Å; H583-D585 PolarHBondContact O-N 2.71Å; D585-K587 PolarHBondContact O-N 3.38Å; D585-K587 IonicContact OD1-NZ 3.18Å; D585-K587 IonicContact OD2-NZ 3.08Å; D585-K587 PolarHBondContact OD2-NZ 3.41Å; D585-N590 PolarHBondContact O-ND2 3.32Å; D585-N590 PolarHBondContact OD2-ND2 3.19Å; D585-F610 HydrophobicContact CB-CB 3.83Å; D585-F610 HydrophobicContact CB-CD2 3.69Å; D585-F610 HydrophobicContact CB-CG 4.02Å; D585-K756 VanDerWaalsContact OD1-CE 3.31Å; D585-K756 WeakPolarHBondContact OD1-CE 3.3Å; D585-K756 IonicContact OD1-NZ 3.17Å; D585-K756 PolarHBondContact OD1-NZ 3.05Å; D585-K756 IonicContact OD2-NZ 2.78Å
586	L	81.4	Confident	82.8	Confident	4 Å²	4	32 Å²	32	2%	0.021	17%	0.167	C	C	.	.			trans	-67.7	115.6	171.6	-70.7	177.7	0	0	0	108.4	V573 H583 I605 D646 S649 L650 Y752	V573-L586 HydrophobicContact CG2-CD1 3.65Å; H583-L586 HydrophobicContact CB-CD1 4.41Å; H583-L586 HydrophobicContact CB-CD2 4.04Å; H583-L586 HydrophobicContact CB-CG 3.88Å; H583-L586 WeakPolarHBondContact ND1-CD2 3.39Å; H583-L586 PolarHBondContact ND1-N 3.02Å; H583-L586 VanDerWaalsContact ND1-N 3.15Å; L586-I605 HydrophobicContact CD2-CD1 3.98Å; L586-I605 HydrophobicContact CD2-CG2 4.17Å; L586-D646 HydrophobicContact CD1-CB 3.69Å; L586-S649 WeakPolarHBondContact O-CB 3.23Å; L586-S649 PolarHBondContact O-OG 2.81Å; L586-L650 HydrophobicContact CD1-CD2 4.4Å; L586-L650 HydrophobicContact CD1-CG 4.38Å; L586-Y752 WeakPolarHBondContact O-CE1 3.18Å
587	K	80.9	Confident	82.4	Confident	34 Å²	34	35 Å²	35	15%	0.148	19%	0.192	C	C	.	.			trans	-153.8	158.2	178	71.5	-167.7	-173.8	-136.9	0	109	D585 S589 N590 Y752	D585-K587 PolarHBondContact O-N 3.38Å; D585-K587 IonicContact OD1-NZ 3.18Å; D585-K587 IonicContact OD2-NZ 3.08Å; D585-K587 PolarHBondContact OD2-NZ 3.41Å; K587-S589 VanDerWaalsContact C-N 3.29Å; K587-S589 WeakPolarHBondContact CE-OG 3.44Å; K587-S589 PolarHBondContact O-N 2.92Å; K587-S589 VanDerWaalsContact O-N 3.17Å; K587-N590 WeakPolarHBondContact CE-ND2 3.24Å; K587-N590 VanDerWaalsContact CE-OD1 3.27Å; K587-N590 WeakPolarHBondContact CE-OD1 3.49Å; K587-N590 HydrophobicContact CG-CB 4.18Å; K587-N590 PolarHBondContact NZ-ND2 3.28Å; K587-N590 PolarHBondContact O-N 3.46Å; K587-Y752 HydrophobicContact CB-CD1 4.11Å; K587-Y752 HydrophobicContact CB-CD2 4.24Å; K587-Y752 HydrophobicContact CB-CE1 3.88Å; K587-Y752 HydrophobicContact CB-CE2 4.03Å; K587-Y752 HydrophobicContact CB-CG 4.3Å
588	P	77.8	Confident	81.7	Confident	8 Å²	8	33.5 Å²	33.5	5%	0.052	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.1	-38.4	-174.3	-21	23.8	0	0	0	114.9	L548 N590 I591 L653 L748 Y752	L548-P588 HydrophobicContact CB-CB 3.86Å; L548-P588 HydrophobicContact CD2-CB 3.98Å; L548-P588 HydrophobicContact CD2-CG 3.95Å; P588-N590 PolarHBondContact O-N 2.86Å; P588-I591 PolarHBondContact O-N 3.12Å; P588-I591 VanDerWaalsContact O-N 3.1Å; P588-I591 VanDerWaalsContact O-O 3.14Å; P588-L653 HydrophobicContact CG-CD1 4.17Å; P588-L748 HydrophobicContact CG-CD2 3.42Å; P588-L748 VanDerWaalsContact CG-CD2 3.42Å; P588-L748 HydrophobicContact CG-CG 4.35Å; P588-Y752 HydrophobicContact CG-CE2 4.38Å
589	S	76.3	Confident	81.6	Confident	33 Å²	33	35 Å²	35	23%	0.231	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-70	-11.4	-179.9	53.6	0	0	0	0	114.2	K587	K587-S589 VanDerWaalsContact C-N 3.29Å; K587-S589 WeakPolarHBondContact CE-OG 3.44Å; K587-S589 PolarHBondContact O-N 2.92Å; K587-S589 VanDerWaalsContact O-N 3.17Å
590	N	85.5	Confident	81.7	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-97.2	2.8	174.6	-69.3	-7	0	0	0	112.6	D585 K587 P588 C606 D607	D585-N590 PolarHBondContact O-ND2 3.32Å; D585-N590 PolarHBondContact OD2-ND2 3.19Å; K587-N590 WeakPolarHBondContact CE-ND2 3.24Å; K587-N590 VanDerWaalsContact CE-OD1 3.27Å; K587-N590 WeakPolarHBondContact CE-OD1 3.49Å; K587-N590 HydrophobicContact CG-CB 4.18Å; K587-N590 PolarHBondContact NZ-ND2 3.28Å; K587-N590 PolarHBondContact O-N 3.46Å; P588-N590 PolarHBondContact O-N 2.86Å; N590-C606 PolarHBondContact O-N 2.78Å; N590-D607 HydrophobicContact CB-CB 4.24Å
591	I	89.2	Confident	82	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.1	-177.2	-54.2	170.4	0	0	0	109.3	L547 L569 P588 I603 R604 L653	L547-I591 HydrophobicContact CB-CB 4.25Å; L547-I591 HydrophobicContact CB-CG2 3.93Å; L547-I591 HydrophobicContact CD2-CB 4.38Å; L547-I591 HydrophobicContact CD2-CG2 3.73Å; L547-I591 HydrophobicContact CG-CG2 4.43Å; L547-I591 PolarHBondContact N-O 3.47Å; L569-I591 HydrophobicContact CD1-CD1 4.14Å; L569-I591 HydrophobicContact CD2-CD1 4.11Å; L569-I591 HydrophobicContact CD2-CG2 4Å; P588-I591 PolarHBondContact O-N 3.12Å; P588-I591 VanDerWaalsContact O-N 3.1Å; P588-I591 VanDerWaalsContact O-O 3.14Å; I591-I603 HydrophobicContact CG2-CG2 3.52Å; I591-R604 WeakPolarHBondContact CA-O 3.46Å; I591-L653 HydrophobicContact CD1-CD2 4.04Å
592	R	89.9	Confident	82.3	Confident	24 Å²	24	39 Å²	39	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.5	-175.8	-62.6	-163.8	165.4	-156.8	-4.1	112	E475 M542 E546 R604	E475-R592 IonicContact OE1-CZ 2.77Å; E475-R592 IonicContact OE1-NH1 3.69Å; E475-R592 PolarHBondContact OE1-NH1 3.04Å; E475-R592 IonicContact OE1-NH2 3.59Å; E475-R592 IonicContact OE2-NH1 2.89Å; E475-R592 PolarHBondContact OE2-NH1 3.5Å; M542-R592 HydrophobicContact CB-CB 4.17Å; M542-R592 HydrophobicContact CG-CB 4.29Å; E546-R592 HydrophobicContact CG-CG 4.22Å; E546-R592 IonicContact OE1-CZ 2.76Å; E546-R592 IonicContact OE1-NE 2.78Å; E546-R592 IonicContact OE1-NH2 3.91Å; E546-R592 PolarHBondContact OE1-NH2 3.3Å; R592-R604 PolarHBondContact N-O 3.36Å; R592-R604 PolarHBondContact O-N 3.18Å
593	Y	87.9	Confident	82.8	Confident	6 Å²	6	39 Å²	39	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.2	167.5	-65.9	-82.5	0	0	0	110.3	G544 N545 L547 K550 D595 G598 L599 I603	G544-Y593 WeakPolarHBondContact CA-O 3.46Å; G544-Y593 PolarHBondContact N-O 3.17Å; N545-Y593 PolarHBondContact O-N 2.74Å; L547-Y593 HydrophobicContact CD1-CE1 4.42Å; L547-Y593 HydrophobicContact CD1-CE2 3.7Å; L547-Y593 WeakPolarHBondContact CD1-OH 2.96Å; K550-Y593 HydrophobicContact CB-CD2 4.39Å; K550-Y593 HydrophobicContact CB-CE2 3.85Å; K550-Y593 HydrophobicContact CD-CD2 4.17Å; K550-Y593 HydrophobicContact CD-CE2 3.87Å; K550-Y593 HydrophobicContact CG-CE2 4.24Å; Y593-D595 VanDerWaalsContact C-N 3.28Å; Y593-D595 WeakPolarHBondContact CB-O 3.19Å; Y593-D595 PolarHBondContact O-N 3.13Å; Y593-G598 VanDerWaalsContact CD1-C 3.42Å; Y593-G598 WeakPolarHBondContact CE1-O 3.29Å; Y593-L599 WeakPolarHBondContact CD1-O 3.27Å; Y593-L599 VanDerWaalsContact CE1-O 3.27Å; Y593-L599 WeakPolarHBondContact CE1-O 3.42Å; Y593-I603 HydrophobicContact CD1-CG1 3.67Å; Y593-I603 HydrophobicContact CE1-CD1 3.94Å; Y593-I603 HydrophobicContact CE1-CG1 3.37Å
594	A	85.3	Confident	83.2	Confident	19 Å²	19	41.7 Å²	41.7	16%	0.157	22%	0.215	C	C	.	.	S	Bend	trans	-68	-32.3	177.3	0	0	0	0	0	111.9	M542 R543 S602 R604	M542-A594 HydrophobicContact SD-CB 4.28Å; R543-A594 PolarHBondContact N-O 3.41Å; A594-S602 WeakPolarHBondContact CB-O 3.45Å; A594-S602 PolarHBondContact N-O 3.33Å; A594-R604 HydrophobicContact CB-CG 4.33Å
595	D	84.9	Confident	83.8	Confident	67 Å²	67	36.8 Å²	36.8	36%	0.358	20%	0.197	S	C	.	.	S	Bend	trans	-130.3	170.1	-176.7	54.8	41.3	0	0	0	112.5	G544 Y593 A597 G598 S602	G544-D595 VanDerWaalsContact CA-O 3.31Å; G544-D595 WeakPolarHBondContact CA-O 3.22Å; Y593-D595 VanDerWaalsContact C-N 3.28Å; Y593-D595 WeakPolarHBondContact CB-O 3.19Å; Y593-D595 PolarHBondContact O-N 3.13Å; D595-A597 PolarHBondContact OD1-N 3.41Å; D595-G598 PolarHBondContact O-N 3.31Å; D595-G598 PolarHBondContact OD1-N 3.32Å; D595-S602 WeakPolarHBondContact OD1-CB 3.3Å; D595-S602 PolarHBondContact OD1-OG 3.14Å; D595-S602 WeakPolarHBondContact OD2-CB 3.15Å
596	E	81.9	Confident	84.1	Confident	160 Å²	160	36.4 Å²	36.4	75%	0.748	20%	0.195	S	C	*	.	S	Bend	trans	-77.7	-22.5	179.2	-65	178.8	-172.9	0	0	112.8	K550 G598	K550-E596 PolarHBondContact NZ-O 3.24Å; E596-G598 PolarHBondContact O-N 2.85Å
597	A	79.4	Confident	84.2	Confident	65 Å²	65	37 Å²	37	54%	0.537	20%	0.198	S	C	.	.	S	Bend	trans	-55.6	-39.9	171.1	0	0	0	0	0	109.6	K550 D595 L599	K550-A597 VanDerWaalsContact NZ-C 3.32Å; K550-A597 PolarHBondContact NZ-O 3.12Å; D595-A597 PolarHBondContact OD1-N 3.41Å; A597-L599 PolarHBondContact O-N 3.35Å
598	G	73	Confident	84.5	Confident	6 Å²	6	35.4 Å²	35.4	6%	0.062	19%	0.191	C	C	.	.			trans	48.9	48.8	167.9	0	0	0	0	0	111.4	K550 Y593 D595 E596	K550-G598 WeakPolarHBondContact CE-O 3.08Å; K550-G598 PolarHBondContact NZ-O 3.43Å; Y593-G598 VanDerWaalsContact CD1-C 3.42Å; Y593-G598 WeakPolarHBondContact CE1-O 3.29Å; D595-G598 PolarHBondContact O-N 3.31Å; D595-G598 PolarHBondContact OD1-N 3.32Å; E596-G598 PolarHBondContact O-N 2.85Å
599	L	81.4	Confident	84.4	Confident	102 Å²	102	35.6 Å²	35.6	53%	0.534	19%	0.194	S	C	.	.			trans	-76.6	157.7	167.6	-61.8	167.6	0	0	0	108.6	Y593 A597 E601 S602	Y593-L599 WeakPolarHBondContact CD1-O 3.27Å; Y593-L599 VanDerWaalsContact CE1-O 3.27Å; Y593-L599 WeakPolarHBondContact CE1-O 3.42Å; A597-L599 PolarHBondContact O-N 3.35Å; L599-E601 WeakPolarHBondContact CB-OE2 3.37Å; L599-E601 PolarHBondContact O-N 3.42Å; L599-E601 VanDerWaalsContact O-N 3.12Å; L599-S602 PolarHBondContact O-N 2.99Å; L599-S602 PolarHBondContact O-OG 3.11Å
600	P	79.4	Confident	84.4	Confident	28 Å²	28	37.9 Å²	37.9	18%	0.182	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.9	-34.7	179.7	-27	36	0	0	0	113.8	D564 S602 I603	D564-P600 HydrophobicContact CB-CB 4.36Å; D564-P600 HydrophobicContact CB-CG 3.99Å; P600-S602 PolarHBondContact O-N 2.91Å; P600-I603 HydrophobicContact CB-CD1 4.41Å; P600-I603 VanDerWaalsContact O-CB 3.29Å; P600-I603 WeakPolarHBondContact O-CB 3.3Å; P600-I603 WeakPolarHBondContact O-CD1 3.37Å; P600-I603 WeakPolarHBondContact O-CG1 3.3Å; P600-I603 PolarHBondContact O-N 3.28Å; P600-I603 VanDerWaalsContact O-N 3.15Å
601	E	81.5	Confident	83.8	Confident	133 Å²	133	38 Å²	38	62%	0.621	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-65.9	-24.3	-179.4	-56.5	78.8	-172.8	0	0	113.1	N521 L599 I603	N521-E601 PolarHBondContact ND2-O 3.3Å; L599-E601 WeakPolarHBondContact CB-OE2 3.37Å; L599-E601 PolarHBondContact O-N 3.42Å; L599-E601 VanDerWaalsContact O-N 3.12Å; E601-I603 VanDerWaalsContact C-N 3.32Å
602	S	87.5	Confident	83	Confident	11 Å²	11	42.3 Å²	42.3	8%	0.077	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-88.1	1.9	178.8	79	0	0	0	0	113.4	A594 D595 L599 P600 R604	A594-S602 WeakPolarHBondContact CB-O 3.45Å; A594-S602 PolarHBondContact N-O 3.33Å; D595-S602 WeakPolarHBondContact OD1-CB 3.3Å; D595-S602 PolarHBondContact OD1-OG 3.14Å; D595-S602 WeakPolarHBondContact OD2-CB 3.15Å; L599-S602 PolarHBondContact O-N 2.99Å; L599-S602 PolarHBondContact O-OG 3.11Å; P600-S602 PolarHBondContact O-N 2.91Å; S602-R604 PolarHBondContact O-N 2.87Å
603	I	91.9	Very high	82	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.5	175.8	-66.4	172.4	0	0	0	110.4	N521 L547 I565 L569 I591 Y593 P600 E601	N521-I603 VanDerWaalsContact CA-O 3.28Å; N521-I603 WeakPolarHBondContact CA-O 3.28Å; N521-I603 WeakPolarHBondContact CB-O 3.42Å; N521-I603 PolarHBondContact ND2-O 2.96Å; L547-I603 HydrophobicContact CD1-CD1 3.84Å; L547-I603 HydrophobicContact CD1-CG1 4.34Å; I565-I603 HydrophobicContact CB-CD1 4.37Å; I565-I603 HydrophobicContact CG1-CD1 4.05Å; I565-I603 HydrophobicContact CG2-CD1 4.03Å; L569-I603 HydrophobicContact CD2-CG2 3.81Å; I591-I603 HydrophobicContact CG2-CG2 3.52Å; Y593-I603 HydrophobicContact CD1-CG1 3.67Å; Y593-I603 HydrophobicContact CE1-CD1 3.94Å; Y593-I603 HydrophobicContact CE1-CG1 3.37Å; P600-I603 HydrophobicContact CB-CD1 4.41Å; P600-I603 VanDerWaalsContact O-CB 3.29Å; P600-I603 WeakPolarHBondContact O-CB 3.3Å; P600-I603 WeakPolarHBondContact O-CD1 3.37Å; P600-I603 WeakPolarHBondContact O-CG1 3.3Å; P600-I603 PolarHBondContact O-N 3.28Å; P600-I603 VanDerWaalsContact O-N 3.15Å; E601-I603 VanDerWaalsContact C-N 3.32Å
604	R	91.9	Very high	80.7	Confident	57 Å²	57	45.1 Å²	45.1	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.6	172.6	-57.3	-164.2	-167.6	-105.9	-7.7	112.3	P520 N521 I522 M542 I591 R592 A594 S602 C606	P520-R604 PolarHBondContact O-NH1 3.15Å; N521-R604 CarbonylContact O-C 3.57Å; N521-R604 VanDerWaalsContact O-CA 3.31Å; N521-R604 WeakPolarHBondContact O-CA 3.39Å; I522-R604 PolarHBondContact O-NH1 2.91Å; M542-R604 HydrophobicContact SD-CB 4.08Å; M542-R604 HydrophobicContact SD-CG 4.26Å; I591-R604 WeakPolarHBondContact CA-O 3.46Å; R592-R604 PolarHBondContact N-O 3.36Å; R592-R604 PolarHBondContact O-N 3.18Å; A594-R604 HydrophobicContact CB-CG 4.33Å; S602-R604 PolarHBondContact O-N 2.87Å; R604-C606 PolarHBondContact O-SG 2.58Å
605	I	92.2	Very high	79.1	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.3	167.7	-56.5	175.8	0	0	0	108.2	N521 I523 L569 T572 H583 L586 F608	N521-I605 PolarHBondContact O-N 3.07Å; I523-I605 WeakPolarHBondContact CB-O 3.39Å; I523-I605 WeakPolarHBondContact CG2-O 3.23Å; I523-I605 PolarHBondContact N-O 2.85Å; L569-I605 HydrophobicContact CD2-CG1 4.44Å; T572-I605 HydrophobicContact CG2-CD1 3.69Å; T572-I605 HydrophobicContact CG2-CG1 4.46Å; H583-I605 WeakPolarHBondContact NE2-CG2 3.45Å; L586-I605 HydrophobicContact CD2-CD1 3.98Å; L586-I605 HydrophobicContact CD2-CG2 4.17Å; I605-F608 HydrophobicContact CB-CE2 4.07Å; I605-F608 HydrophobicContact CB-CZ 4.23Å; I605-F608 HydrophobicContact CG2-CE2 3.72Å; I605-F608 HydrophobicContact CG2-CZ 3.95Å
606	C	86.4	Confident	77	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	26%	0.259	C	S	.	.			trans	-114.7	-7.5	-160.9	-63.9	0	0	0	0	115.7	R482 I523 N590 R604	R482-C606 PolarHBondContact NH2-O 3.09Å; R482-C606 VanDerWaalsContact NH2-O 3.1Å; I523-C606 HydrophobicContact CD1-CB 4.14Å; N590-C606 PolarHBondContact O-N 2.78Å; R604-C606 PolarHBondContact O-SG 2.58Å
607	D	84.9	Confident	74.9	Confident	16 Å²	16	50.3 Å²	50.3	9%	0.086	27%	0.266	C	S	.	.			trans	-140.9	101.1	-176.4	-170.8	6	0	0	0	112.5	K497 H583 N590 G609	K497-D607 IonicContact NZ-OD1 3.56Å; K497-D607 PolarHBondContact NZ-OD1 3.33Å; H583-D607 PolarHBondContact CE1-O 2.8Å; H583-D607 PolarHBondContact NE2-O 3.48Å; N590-D607 HydrophobicContact CB-CB 4.24Å; D607-G609 VanDerWaalsContact C-N 3.34Å; D607-G609 PolarHBondContact OD1-N 3.34Å
608	F	85.8	Confident	72.9	Confident	1 Å²	1	53 Å²	53	0%	0.004	27%	0.272	C	S	.	.			trans	-96.4	14.7	179.4	-76	-101.9	0	0	0	112.3	E509 I512 L513 I522 L576 H583 I605 F610 A611	E509-F608 HydrophobicContact CG-CB 4.13Å; I512-F608 HydrophobicContact CG2-CD1 3.57Å; I512-F608 HydrophobicContact CG2-CE1 4.14Å; I512-F608 HydrophobicContact CG2-CG 4.29Å; L513-F608 HydrophobicContact CD2-CB 4.23Å; L513-F608 HydrophobicContact CD2-CD2 3.58Å; L513-F608 HydrophobicContact CD2-CE2 4.16Å; L513-F608 HydrophobicContact CD2-CG 3.97Å; L513-F608 HydrophobicContact CG-CB 4.26Å; L513-F608 HydrophobicContact CG-CD2 4.49Å; L513-F608 HydrophobicContact CG-CG 4.48Å; I522-F608 HydrophobicContact CB-CZ 4.42Å; I522-F608 HydrophobicContact CD1-CZ 4.06Å; I522-F608 HydrophobicContact CG1-CZ 4.04Å; I522-F608 HydrophobicContact CG2-CE2 3.63Å; I522-F608 HydrophobicContact CG2-CZ 3.65Å; L576-F608 HydrophobicContact CD1-CE1 3.82Å; L576-F608 HydrophobicContact CD1-CZ 4.15Å; L576-F608 HydrophobicContact CD2-CE1 4.01Å; H583-F608 AromaticContact CD2-CD1 3.96Å; H583-F608 AromaticContact CD2-CE1 3.81Å; I605-F608 HydrophobicContact CB-CE2 4.07Å; I605-F608 HydrophobicContact CB-CZ 4.23Å; I605-F608 HydrophobicContact CG2-CE2 3.72Å; I605-F608 HydrophobicContact CG2-CZ 3.95Å; F608-F610 PolarHBondContact O-N 3.26Å; F608-A611 HydrophobicContact CB-CB 3.95Å; F608-A611 HydrophobicContact CD1-CB 3.65Å; F608-A611 HydrophobicContact CG-CB 4.25Å; F608-A611 VanDerWaalsContact O-CB 3.31Å; F608-A611 WeakPolarHBondContact O-CB 3.46Å; F608-A611 PolarHBondContact O-N 2.85Å
609	G	76.8	Confident	71.4	Confident	11 Å²	11	56 Å²	56	11%	0.113	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17	-176.1	0	0	0	0	0	115.1	K504 E509 D607	K504-G609 WeakPolarHBondContact CE-O 3.24Å; K504-G609 VanDerWaalsContact NZ-C 3.28Å; K504-G609 VanDerWaalsContact NZ-CA 3.3Å; K504-G609 PolarHBondContact NZ-O 3.36Å; E509-G609 VanDerWaalsContact CD-CA 3.43Å; E509-G609 WeakPolarHBondContact OE2-CA 3.33Å; D607-G609 VanDerWaalsContact C-N 3.34Å; D607-G609 PolarHBondContact OD1-N 3.34Å
610	F	75.1	Confident	69	Low	82 Å²	82	59.1 Å²	59.1	36%	0.36	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-2.7	172.9	-66.7	-84.5	0	0	0	112.7	H583 R584 D585 F608	H583-F610 CarbonylContact O-C 3.39Å; R584-F610 PolarHBondContact NE-O 2.85Å; R584-F610 PolarHBondContact NH2-O 2.9Å; D585-F610 HydrophobicContact CB-CB 3.83Å; D585-F610 HydrophobicContact CB-CD2 3.69Å; D585-F610 HydrophobicContact CB-CG 4.02Å; F608-F610 PolarHBondContact O-N 3.26Å
611	A	74	Confident	66.7	Low	6 Å²	6	59.8 Å²	59.8	5%	0.05	32%	0.32	C	S	.	.			trans	-64.3	151.9	179.5	0	0	0	0	0	110.1	I512 V581 V582 H583 F608	I512-A611 HydrophobicContact CD1-CB 3.67Å; V581-A611 HydrophobicContact CG1-CB 4.45Å; V582-A611 CarbonylContact O-C 3.59Å; V582-A611 WeakPolarHBondContact O-CA 3.44Å; H583-A611 WeakPolarHBondContact O-CA 3.46Å; H583-A611 PolarHBondContact O-N 3.22Å; F608-A611 HydrophobicContact CB-CB 3.95Å; F608-A611 HydrophobicContact CD1-CB 3.65Å; F608-A611 HydrophobicContact CG-CB 4.25Å; F608-A611 VanDerWaalsContact O-CB 3.31Å; F608-A611 WeakPolarHBondContact O-CB 3.46Å; F608-A611 PolarHBondContact O-N 2.85Å
612	K	71.5	Confident	64.7	Low	91 Å²	91	57.7 Å²	57.7	40%	0.396	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.7	-177.3	-169.3	171.6	-176.5	178	0	110.2	V581 V582 L614	V581-K612 WeakPolarHBondContact CA-O 3.45Å; V582-K612 HydrophobicContact CG2-CB 4.35Å; V582-K612 PolarHBondContact N-O 3.37Å; V582-K612 PolarHBondContact O-N 2.66Å; K612-L614 PolarHBondContact O-N 2.89Å
613	Q	69.9	Low	62.4	Low	57 Å²	57	58.7 Å²	58.7	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	108.2	167.8	-173.4	67.4	63.9	0	0	109.5	E508 Y516 Q579 G580	E508-Q613 VanDerWaalsContact OE1-CB 3.3Å; E508-Q613 WeakPolarHBondContact OE1-CB 3.32Å; E508-Q613 PolarHBondContact OE1-N 2.79Å; E508-Q613 VanDerWaalsContact OE1-N 3.08Å; Y516-Q613 PolarHBondContact OH-OE1 3.39Å; Y516-Q613 VanDerWaalsContact OH-OE1 3.05Å; Q579-Q613 PolarHBondContact O-NE2 3.17Å; G580-Q613 PolarHBondContact O-NE2 3.49Å
614	L	60.9	Low	59.4	Low	32 Å²	32	59.8 Å²	59.8	17%	0.168	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-76.2	153.4	164.2	-48.8	-175.8	0	0	0	110.5	G580 V582 K612	G580-L614 CarbonylContact O-C 3.52Å; G580-L614 WeakPolarHBondContact O-CA 3.15Å; G580-L614 WeakPolarHBondContact O-CB 3.49Å; G580-L614 PolarHBondContact O-N 3.4Å; V582-L614 HydrophobicContact CB-CD1 4.23Å; V582-L614 HydrophobicContact CB-CG 4.45Å; V582-L614 HydrophobicContact CG1-CD1 3.38Å; V582-L614 HydrophobicContact CG1-CG 4.04Å; V582-L614 HydrophobicContact CG2-CD1 3.83Å; V582-L614 HydrophobicContact CG2-CD2 3.75Å; V582-L614 HydrophobicContact CG2-CG 3.7Å; K612-L614 PolarHBondContact O-N 2.89Å
615	R	50.5	Low	56.3	Low	78 Å²	78	58.8 Å²	58.8	29%	0.294	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-94.1	157.8	175.4	-63.6	-173.7	177.2	-148.6	-3	110.6	E203 M205 F206 D210	E203-R615 VanDerWaalsContact CB-NH2 3.3Å; E203-R615 IonicContact OE1-CZ 2.85Å; E203-R615 IonicContact OE1-NH2 2.62Å; E203-R615 PolarHBondContact OE1-NH2 2.86Å; E203-R615 IonicContact OE2-NH2 2.75Å; E203-R615 PolarHBondContact OE2-NH2 3.21Å; M205-R615 VanDerWaalsContact O-CZ 3.32Å; M205-R615 PolarHBondContact O-NH1 3.49Å; F206-R615 VanDerWaalsContact CD1-NH1 3.27Å; D210-R615 IonicContact OD2-NH1 3.84Å; D210-R615 PolarHBondContact OD2-NH1 3.46Å
616	A	41.1	Very low	53.4	Low	87 Å²	87	64.6 Å²	64.6	72%	0.719	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-54.5	152.7	-170	0	0	0	0	0	115.4	N618	A616-N618 PolarHBondContact O-N 3.38Å
617	E	38.8	Very low	50.7	Low	191 Å²	191	70.2 Å²	70.2	89%	0.893	38%	0.383	S	S	*	.	S	Bend	trans	-66.5	10.1	-166.5	-60.7	-175.6	142.3	0	0	117.2	G619	E617-G619 VanDerWaalsContact C-N 3.29Å; E617-G619 PolarHBondContact O-N 3.45Å
618	N	37.2	Very low	48.1	Very low	122 Å²	122	71.5 Å²	71.5	65%	0.652	40%	0.395	S	S	*	.			trans	-83.4	81	-177.3	-59.7	0.7	0	0	0	109.1	A616	A616-N618 PolarHBondContact O-N 3.38Å
619	G	40.1	Very low	45.4	Very low	67 Å²	67	76.9 Å²	76.9	69%	0.691	43%	0.429	S	S	*	.			trans	-43.4	142.6	174.7	0	0	0	0	0	113.1	E617	E617-G619 VanDerWaalsContact C-N 3.29Å; E617-G619 PolarHBondContact O-N 3.45Å
620	L	31.8	Very low	43.2	Very low	168 Å²	168	85.1 Å²	85.1	88%	0.88	46%	0.462	S	S	*	.	S	Bend	trans	78.8	76.9	179.4	-62.4	152.5	0	0	0	115.8
621	L	31	Very low	41.2	Very low	43 Å²	43	86.2 Å²	86.2	23%	0.225	47%	0.469	C	S	.	.				-174.2	111	114.3	-107	130	0	0	0	109.7	E208 F331	E208-L621 HydrophobicContact CB-CD1 4.34Å; E208-L621 HydrophobicContact CG-CB 4.43Å; E208-L621 HydrophobicContact CG-CD1 3.7Å; E208-L621 HydrophobicContact CG-CD2 4.23Å; E208-L621 HydrophobicContact CG-CG 4.33Å; E208-L621 VanDerWaalsContact OE1-CD1 3.29Å; E208-L621 WeakPolarHBondContact OE1-CD1 3.45Å; F331-L621 HydrophobicContact CD2-CD2 4.27Å; F331-L621 VanDerWaalsContact O-CD2 3.27Å; F331-L621 WeakPolarHBondContact O-CD2 3.31Å
622	M	40.2	Very low	39.1	Very low	88 Å²	88	88 Å²	88	43%	0.433	48%	0.483	S	S	.	.			trans	-136.6	106.1	-174.6	-66	-90.4	-68	0	0	106.5	L636 Q639	M622-L636 HydrophobicContact CB-CD1 4.44Å; M622-L636 HydrophobicContact CB-CD2 3.24Å; M622-L636 HydrophobicContact CB-CG 4.47Å; M622-L636 HydrophobicContact CE-CD2 3.5Å; M622-L636 HydrophobicContact CG-CD2 3.59Å; M622-L636 HydrophobicContact SD-CD2 4.39Å; M622-Q639 VanDerWaalsContact CE-NE2 3.27Å
623	T	37.6	Very low	37.3	Very low	33 Å²	33	87.2 Å²	87.2	20%	0.202	49%	0.488	C	S	.	.			trans	-153.2	126.2	178.6	-63.2	0	0	0	0	111.4	M205 F331 A628	M205-T623 WeakPolarHBondContact CG-O 3.48Å; F331-T623 HydrophobicContact CD1-CG2 3.66Å; F331-T623 HydrophobicContact CD2-CG2 3.97Å; F331-T623 HydrophobicContact CE1-CG2 3.63Å; F331-T623 HydrophobicContact CE2-CG2 3.96Å; F331-T623 HydrophobicContact CG-CG2 3.82Å; F331-T623 HydrophobicContact CZ-CG2 3.8Å; T623-A628 HydrophobicContact CG2-CB 3.98Å
624	P	29.4	Very low	35.8	Very low	23 Å²	23	89.3 Å²	89.3	15%	0.149	50%	0.498	C	S	.	.			trans	-79.8	141.6	-159.7	28.4	-36.6	0	0	0	117.8	M205 Y626 A628 M631	M205-P624 VanDerWaalsContact CE-CA 3.5Å; M205-P624 HydrophobicContact CE-CB 3.52Å; M205-P624 WeakPolarHBondContact SD-CA 3.38Å; M205-P624 HydrophobicContact SD-CB 3.86Å; P624-Y626 PolarHBondContact O-N 3.06Å; P624-Y626 VanDerWaalsContact O-N 3.15Å; P624-A628 HydrophobicContact CG-CB 3.64Å; P624-M631 HydrophobicContact CB-CE 4.25Å; P624-M631 HydrophobicContact CG-CE 3.86Å; P624-M631 HydrophobicContact CG-SD 4.2Å
625	C	28.2	Very low	34.5	Very low	37 Å²	37	90.7 Å²	90.7	25%	0.25	51%	0.508	C	S	.	.	S	Bend	trans	-52.7	115.4	152.9	-47.1	0	0	0	0	108	M205 G305	M205-C625 HydrophobicContact CE-CB 4.14Å; G305-C625 WeakPolarHBondContact CA-SG 3.47Å
626	Y	30.3	Very low	33.9	Very low	123 Å²	123	91.1 Å²	91.1	48%	0.482	52%	0.515	S	S	.	.	S	Bend	trans	80.4	113.2	-177.6	-53	-80.4	0	0	0	116.7	P624 L772	P624-Y626 PolarHBondContact O-N 3.06Å; P624-Y626 VanDerWaalsContact O-N 3.15Å; Y626-L772 HydrophobicContact CE1-CD1 4.31Å; Y626-L772 VanDerWaalsContact OH-CB 3.25Å; Y626-L772 WeakPolarHBondContact OH-CB 3.27Å; Y626-L772 WeakPolarHBondContact OH-CD1 3.43Å; Y626-L772 WeakPolarHBondContact OH-CD2 3.37Å; Y626-L772 WeakPolarHBondContact OH-CG 3.32Å
627	T	29	Very low	34.1	Very low	119 Å²	119	94 Å²	94	73%	0.73	51%	0.507	S	S	*	.			trans	37.7	75.9	168.1	-38.9	0	0	0	0	116.6	T629	T627-T629 PolarHBondContact O-N 3.37Å
628	A	31.7	Very low	34.6	Very low	42 Å²	42	89.3 Å²	89.3	35%	0.347	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-81.9	10.2	-179.5	0	0	0	0	0	116.6	T623 P624 F630	T623-A628 HydrophobicContact CG2-CB 3.98Å; P624-A628 HydrophobicContact CG-CB 3.64Å; A628-F630 PolarHBondContact O-N 3.39Å; A628-F630 VanDerWaalsContact O-N 3.15Å
629	T	28.3	Very low	35.2	Very low	114 Å²	114	87 Å²	87	70%	0.699	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-73.7	-1.2	-179.9	43.3	0	0	0	0	114	T627	T627-T629 PolarHBondContact O-N 3.37Å
630	F	31.6	Very low	35.9	Very low	185 Å²	185	85.9 Å²	85.9	81%	0.811	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-130.3	11	-174.4	-65.4	-74.5	0	0	0	115.4	A628	A628-F630 PolarHBondContact O-N 3.39Å; A628-F630 VanDerWaalsContact O-N 3.15Å
631	M	32.8	Very low	37.3	Very low	105 Å²	105	83.5 Å²	83.5	52%	0.517	44%	0.438	S	S	.	.			trans	-99	97.1	177.2	-156.4	174.9	-69.4	0	0	109.5	P624 V635	P624-M631 HydrophobicContact CB-CE 4.25Å; P624-M631 HydrophobicContact CG-CE 3.86Å; P624-M631 HydrophobicContact CG-SD 4.2Å; M631-V635 HydrophobicContact CG-CB 4.08Å; M631-V635 HydrophobicContact CG-CG1 4.27Å; M631-V635 HydrophobicContact CG-CG2 3.76Å; M631-V635 HydrophobicContact SD-CB 4.41Å; M631-V635 HydrophobicContact SD-CG1 3.96Å; M631-V635 HydrophobicContact SD-CG2 4.47Å
632	A	30	Very low	39.2	Very low	42 Å²	42	82.9 Å²	82.9	35%	0.347	43%	0.434	S	S	.	.			trans	-79.2	161.4	-174.9	0	0	0	0	0	112.4	E634 V635	A632-E634 WeakPolarHBondContact CB-OE1 3.26Å; A632-E634 WeakPolarHBondContact CB-OE2 3.46Å; A632-E634 PolarHBondContact O-N 2.96Å; A632-V635 PolarHBondContact O-N 3.27Å
633	P	33.6	Very low	41.1	Very low	75 Å²	75	79.9 Å²	79.9	49%	0.487	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.2	-160.5	-23.7	35	0	0	0	115.9	V635 L636 R637	P633-V635 PolarHBondContact O-N 3.41Å; P633-L636 WeakPolarHBondContact O-CB 3.4Å; P633-L636 PolarHBondContact O-N 3.48Å; P633-R637 PolarHBondContact O-N 2.95Å
634	E	37.6	Very low	43.1	Very low	101 Å²	101	78.7 Å²	78.7	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-57.7	-26.7	173.6	63.9	-83.3	-169.1	0	0	113.4	A632 L636 R637 K638	A632-E634 WeakPolarHBondContact CB-OE1 3.26Å; A632-E634 WeakPolarHBondContact CB-OE2 3.46Å; A632-E634 PolarHBondContact O-N 2.96Å; E634-L636 VanDerWaalsContact C-N 3.28Å; E634-L636 PolarHBondContact O-N 2.89Å; E634-R637 PolarHBondContact O-N 3.48Å; E634-K638 PolarHBondContact O-N 3.32Å
635	V	34.9	Very low	45.6	Very low	62 Å²	62	79.2 Å²	79.2	38%	0.376	42%	0.421	S	S	.	.	H	α-helix	trans	-68.5	-29.1	175	-178.4	0	0	0	0	111.7	M631 A632 P633	M631-V635 HydrophobicContact CG-CB 4.08Å; M631-V635 HydrophobicContact CG-CG1 4.27Å; M631-V635 HydrophobicContact CG-CG2 3.76Å; M631-V635 HydrophobicContact SD-CB 4.41Å; M631-V635 HydrophobicContact SD-CG1 3.96Å; M631-V635 HydrophobicContact SD-CG2 4.47Å; A632-V635 PolarHBondContact O-N 3.27Å; P633-V635 PolarHBondContact O-N 3.41Å
636	L	37.4	Very low	48.4	Very low	86 Å²	86	77.5 Å²	77.5	45%	0.45	41%	0.41	S	S	.	.	H	α-helix	trans	-81.1	-32.1	174.9	-55.8	-178.4	0	0	0	112	M622 P633 E634 K638	M622-L636 HydrophobicContact CB-CD1 4.44Å; M622-L636 HydrophobicContact CB-CD2 3.24Å; M622-L636 HydrophobicContact CB-CG 4.47Å; M622-L636 HydrophobicContact CE-CD2 3.5Å; M622-L636 HydrophobicContact CG-CD2 3.59Å; M622-L636 HydrophobicContact SD-CD2 4.39Å; P633-L636 WeakPolarHBondContact O-CB 3.4Å; P633-L636 PolarHBondContact O-N 3.48Å; E634-L636 VanDerWaalsContact C-N 3.28Å; E634-L636 PolarHBondContact O-N 2.89Å; L636-K638 PolarHBondContact O-N 3.25Å
637	R	45.8	Very low	51.3	Low	147 Å²	147	71.7 Å²	71.7	56%	0.555	39%	0.387	S	S	*	.	H	α-helix	trans	-64.6	-17.4	172.7	-63.1	-175.3	-169.4	102	-0.5	112.7	P633 E634 Q639 Y641	P633-R637 PolarHBondContact O-N 2.95Å; E634-R637 PolarHBondContact O-N 3.48Å; R637-Q639 VanDerWaalsContact C-N 3.33Å; R637-Q639 PolarHBondContact O-N 3.23Å; R637-Y641 PolarHBondContact O-N 2.8Å
638	K	48.7	Very low	54.1	Low	93 Å²	93	67 Å²	67	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-68.3	-20.4	-178.1	-78.3	-174.1	178.8	-171.1	0	115.5	E634 L636 Y641 D642	E634-K638 PolarHBondContact O-N 3.32Å; L636-K638 PolarHBondContact O-N 3.25Å; K638-Y641 WeakPolarHBondContact O-CB 3.19Å; K638-Y641 PolarHBondContact O-N 3.14Å; K638-D642 PolarHBondContact O-N 3.1Å
639	Q	49.9	Very low	56.8	Low	75 Å²	75	65.8 Å²	65.8	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-67.2	-48.5	-178.5	-75	177.4	0.3	0	0	112.7	M622 R637 Y641	M622-Q639 VanDerWaalsContact CE-NE2 3.27Å; R637-Q639 VanDerWaalsContact C-N 3.33Å; R637-Q639 PolarHBondContact O-N 3.23Å; Q639-Y641 VanDerWaalsContact C-N 3.29Å
640	G	53.4	Low	59.9	Low	42 Å²	42	60.4 Å²	60.4	43%	0.433	31%	0.311	S	S	.	.	H	α-helix	trans	-69.1	-29.9	171.6	0	0	0	0	0	112.4	A644	G640-A644 WeakPolarHBondContact O-CB 3.39Å; G640-A644 PolarHBondContact O-N 3.25Å
641	Y	62.2	Low	62.7	Low	119 Å²	119	51.6 Å²	51.6	47%	0.467	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-47.8	175	-175.4	-91.8	0	0	0	112.3	R637 K638 Q639 A644 C645 P710	R637-Y641 PolarHBondContact O-N 2.8Å; K638-Y641 WeakPolarHBondContact O-CB 3.19Å; K638-Y641 PolarHBondContact O-N 3.14Å; Q639-Y641 VanDerWaalsContact C-N 3.29Å; Y641-A644 CarbonylContact O-C 3.45Å; Y641-A644 PolarHBondContact O-N 3.47Å; Y641-C645 WeakPolarHBondContact CE1-SG 3.27Å; Y641-C645 PolarHBondContact O-N 3.04Å; Y641-C645 PolarHBondContact O-SG 3.01Å; Y641-P710 HydrophobicContact CD2-CB 4.35Å; Y641-P710 HydrophobicContact CD2-CG 3.68Å; Y641-P710 HydrophobicContact CE2-CG 4.04Å
642	D	70.6	Confident	65.4	Low	29 Å²	29	46.6 Å²	46.6	16%	0.155	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-41.3	-176.4	-76.9	-4.7	0	0	0	111.6	V582 R584 K638 C645 D646	V582-D642 HydrophobicContact CB-CB 4.38Å; V582-D642 HydrophobicContact CG1-CB 4.44Å; V582-D642 HydrophobicContact CG2-CB 3.99Å; R584-D642 WeakPolarHBondContact CD-OD2 3.48Å; R584-D642 HydrophobicContact CG-CB 4.37Å; K638-D642 PolarHBondContact O-N 3.1Å; D642-C645 WeakPolarHBondContact O-CB 3.39Å; D642-C645 PolarHBondContact O-N 3.49Å; D642-D646 PolarHBondContact O-N 3.2Å
643	A	79.8	Confident	68.3	Low	25 Å²	25	44.7 Å²	44.7	21%	0.207	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-40	173.5	0	0	0	0	0	111.5	H577 V582 C645 D646 I647	H577-A643 PolarHBondContact CE1-O 3Å; V582-A643 HydrophobicContact CG1-CB 3.9Å; A643-C645 VanDerWaalsContact C-N 3.27Å; A643-C645 PolarHBondContact O-N 3.31Å; A643-D646 WeakPolarHBondContact O-CB 3.45Å; A643-D646 PolarHBondContact O-N 2.84Å; A643-I647 PolarHBondContact O-N 2.91Å
644	A	81	Confident	71.2	Confident	9 Å²	9	41.1 Å²	41.1	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-25.7	174.2	0	0	0	0	0	112.6	G640 Y641 I647 W648 P710 R713	G640-A644 WeakPolarHBondContact O-CB 3.39Å; G640-A644 PolarHBondContact O-N 3.25Å; Y641-A644 CarbonylContact O-C 3.45Å; Y641-A644 PolarHBondContact O-N 3.47Å; A644-I647 PolarHBondContact O-N 2.75Å; A644-W648 PolarHBondContact O-N 3.16Å; A644-P710 HydrophobicContact CB-CB 3.76Å; A644-R713 VanDerWaalsContact O-CD 3.27Å; A644-R713 WeakPolarHBondContact O-CD 3.43Å; A644-R713 PolarHBondContact O-NH1 3.1Å
645	C	82.1	Confident	73.8	Confident	34 Å²	34	36.3 Å²	36.3	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-39.2	172.8	-74.2	0	0	0	0	111.6	Y641 D642 A643 I647 W648 S649	Y641-C645 WeakPolarHBondContact CE1-SG 3.27Å; Y641-C645 PolarHBondContact O-N 3.04Å; Y641-C645 PolarHBondContact O-SG 3.01Å; D642-C645 WeakPolarHBondContact O-CB 3.39Å; D642-C645 PolarHBondContact O-N 3.49Å; A643-C645 VanDerWaalsContact C-N 3.27Å; A643-C645 PolarHBondContact O-N 3.31Å; C645-I647 VanDerWaalsContact C-N 3.3Å; C645-I647 PolarHBondContact O-N 2.95Å; C645-W648 WeakPolarHBondContact O-CB 3.32Å; C645-W648 PolarHBondContact O-N 2.86Å; C645-S649 PolarHBondContact O-N 2.94Å; C645-S649 PolarHBondContact O-OG 2.48Å
646	D	86.4	Confident	76.4	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-42.3	174.4	-71.8	-21.6	0	0	0	110.8	V573 H577 H583 R584 L586 D642 A643 S649 L650	V573-D646 HydrophobicContact CG1-CB 4.17Å; H577-D646 IonicContact CD2-OD2 2.99Å; H577-D646 IonicContact CE1-OD2 2.86Å; H577-D646 IonicContact NE2-OD2 3.74Å; H577-D646 PolarHBondContact NE2-OD2 2.82Å; H583-D646 PolarHBondContact N-OD2 3.48Å; R584-D646 PolarHBondContact N-OD1 2.8Å; L586-D646 HydrophobicContact CD1-CB 3.69Å; D642-D646 PolarHBondContact O-N 3.2Å; A643-D646 WeakPolarHBondContact O-CB 3.45Å; A643-D646 PolarHBondContact O-N 2.84Å; D646-S649 WeakPolarHBondContact O-CB 3.38Å; D646-S649 PolarHBondContact O-N 2.9Å; D646-L650 WeakPolarHBondContact O-CG 3.37Å; D646-L650 PolarHBondContact O-N 2.93Å
647	I	91.6	Very high	79	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-39.2	176.5	-56	-58	0	0	0	112.1	V573 A643 A644 C645 L650 G651 M705 R713 L714 A716 V719	V573-I647 HydrophobicContact CG1-CD1 4.35Å; A643-I647 PolarHBondContact O-N 2.91Å; A644-I647 PolarHBondContact O-N 2.75Å; C645-I647 VanDerWaalsContact C-N 3.3Å; C645-I647 PolarHBondContact O-N 2.95Å; I647-L650 PolarHBondContact O-N 3.2Å; I647-G651 PolarHBondContact O-N 3.15Å; I647-M705 HydrophobicContact CG2-CB 4.19Å; I647-M705 HydrophobicContact CG2-CE 4.07Å; I647-M705 HydrophobicContact CG2-CG 4Å; I647-R713 HydrophobicContact CG2-CG 4.17Å; I647-L714 WeakPolarHBondContact CG1-O 3.24Å; I647-L714 WeakPolarHBondContact CG2-O 3.22Å; I647-A716 HydrophobicContact CD1-CB 3.87Å; I647-V719 HydrophobicContact CG2-CG2 4.24Å
648	W	87.9	Confident	81.1	Confident	20 Å²	20	22.3 Å²	22.3	8%	0.076	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-48.3	173.3	177.9	-82.2	0	0	0	111.2	A644 C645 L650 G651 I652 F664 I679 L706 H707	A644-W648 PolarHBondContact O-N 3.16Å; C645-W648 WeakPolarHBondContact O-CB 3.32Å; C645-W648 PolarHBondContact O-N 2.86Å; W648-L650 VanDerWaalsContact C-N 3.31Å; W648-L650 PolarHBondContact O-N 3.33Å; W648-G651 CarbonylContact O-C 3.59Å; W648-G651 WeakPolarHBondContact O-CA 3.41Å; W648-G651 PolarHBondContact O-N 3.21Å; W648-I652 WeakPolarHBondContact O-CG1 3.29Å; W648-I652 PolarHBondContact O-N 2.73Å; W648-F664 HydrophobicContact CH2-CE2 4.16Å; W648-F664 AromaticContact CH2-CZ 3.97Å; W648-F664 HydrophobicContact CH2-CZ 3.97Å; W648-F664 HydrophobicContact CZ2-CD2 4.5Å; W648-F664 AromaticContact CZ2-CE2 3.54Å; W648-F664 HydrophobicContact CZ2-CE2 3.54Å; W648-F664 AromaticContact CZ2-CZ 3.82Å; W648-F664 HydrophobicContact CZ2-CZ 3.82Å; W648-I679 HydrophobicContact CH2-CG2 3.97Å; W648-I679 HydrophobicContact CZ2-CG1 4.49Å; W648-I679 HydrophobicContact CZ2-CG2 3.8Å; W648-L706 HydrophobicContact CD2-CD2 4.03Å; W648-L706 HydrophobicContact CE3-CD2 4.22Å; W648-L706 HydrophobicContact CG-CD2 4.44Å; W648-L706 HydrophobicContact CZ2-CD2 4.46Å; W648-L706 VanDerWaalsContact CZ3-C 3.5Å; W648-L706 HydrophobicContact CZ3-CB 4.47Å; W648-L706 WeakPolarHBondContact CZ3-O 3.17Å; W648-H707 WeakPolarHBondContact CZ3-O 3.42Å
649	S	88.3	Confident	83	Confident	16 Å²	16	18.2 Å²	18.2	11%	0.112	11%	0.105	C	C	.	.	H	α-helix	trans	-57	-41.8	175.7	-80.4	0	0	0	0	112.8	L586 C645 D646 G651 I652 L653 Y752	L586-S649 WeakPolarHBondContact O-CB 3.23Å; L586-S649 PolarHBondContact O-OG 2.81Å; C645-S649 PolarHBondContact O-N 2.94Å; C645-S649 PolarHBondContact O-OG 2.48Å; D646-S649 WeakPolarHBondContact O-CB 3.38Å; D646-S649 PolarHBondContact O-N 2.9Å; S649-G651 VanDerWaalsContact C-N 3.33Å; S649-I652 PolarHBondContact O-N 3.33Å; S649-L653 PolarHBondContact O-N 3.38Å; S649-Y752 PolarHBondContact O-OH 3.31Å
650	L	92.3	Very high	84.7	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-65.4	-35.9	173.4	-67.4	-175.6	0	0	0	112.2	L569 V573 L586 D646 I647 W648 L653 L654 M705	L569-L650 HydrophobicContact CB-CD2 3.83Å; L569-L650 HydrophobicContact CD1-CD2 3.94Å; L569-L650 HydrophobicContact CG-CD2 4.45Å; V573-L650 HydrophobicContact CB-CD1 4.48Å; V573-L650 HydrophobicContact CG2-CD1 4.08Å; L586-L650 HydrophobicContact CD1-CD2 4.4Å; L586-L650 HydrophobicContact CD1-CG 4.38Å; D646-L650 WeakPolarHBondContact O-CG 3.37Å; D646-L650 PolarHBondContact O-N 2.93Å; I647-L650 PolarHBondContact O-N 3.2Å; W648-L650 VanDerWaalsContact C-N 3.31Å; W648-L650 PolarHBondContact O-N 3.33Å; L650-L653 PolarHBondContact O-N 3.41Å; L650-L654 WeakPolarHBondContact O-CB 3.5Å; L650-L654 PolarHBondContact O-N 3.3Å; L650-M705 HydrophobicContact CB-CE 3.46Å; L650-M705 VanDerWaalsContact CB-CE 3.46Å
651	G	91.8	Very high	86.2	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.2	-41.5	175.3	0	0	0	0	0	112.7	I647 W648 S649 L653 L654 Y655	I647-G651 PolarHBondContact O-N 3.15Å; W648-G651 CarbonylContact O-C 3.59Å; W648-G651 WeakPolarHBondContact O-CA 3.41Å; W648-G651 PolarHBondContact O-N 3.21Å; S649-G651 VanDerWaalsContact C-N 3.33Å; G651-L653 VanDerWaalsContact C-N 3.34Å; G651-L654 PolarHBondContact O-N 3.15Å; G651-Y655 WeakPolarHBondContact O-CB 3.3Å; G651-Y655 PolarHBondContact O-N 3.34Å
652	I	89.5	Confident	87.3	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-48.2	173.7	-64.1	-70.4	0	0	0	109.6	W648 S649 Y655 T656 P663 F664 L706 L748 Y752	W648-I652 WeakPolarHBondContact O-CG1 3.29Å; W648-I652 PolarHBondContact O-N 2.73Å; S649-I652 PolarHBondContact O-N 3.33Å; I652-Y655 PolarHBondContact O-N 3.14Å; I652-T656 PolarHBondContact O-N 2.86Å; I652-T656 PolarHBondContact O-OG1 2.83Å; I652-T656 VanDerWaalsContact O-OG1 3.12Å; I652-P663 HydrophobicContact CD1-CG 3.49Å; I652-P663 VanDerWaalsContact CD1-CG 3.49Å; I652-P663 HydrophobicContact CG2-CG 4.21Å; I652-F664 HydrophobicContact CD1-CD2 3.61Å; I652-F664 HydrophobicContact CD1-CE2 3.38Å; I652-L706 HydrophobicContact CD1-CD2 3.75Å; I652-L706 HydrophobicContact CG1-CD2 3.9Å; I652-L748 HydrophobicContact CG2-CD1 3.4Å; I652-L748 VanDerWaalsContact CG2-CD1 3.4Å; I652-Y752 HydrophobicContact CG2-CE2 4.33Å
653	L	90.8	Very high	88	Confident	3 Å²	3	9.7 Å²	9.7	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-47.5	179.1	178.5	63.5	0	0	0	111.1	L547 L569 P588 I591 S649 L650 G651 T656 M657	L547-L653 HydrophobicContact CD2-CD2 3.9Å; L569-L653 HydrophobicContact CD1-CD2 3.58Å; P588-L653 HydrophobicContact CG-CD1 4.17Å; I591-L653 HydrophobicContact CD1-CD2 4.04Å; S649-L653 PolarHBondContact O-N 3.38Å; L650-L653 PolarHBondContact O-N 3.41Å; G651-L653 VanDerWaalsContact C-N 3.34Å; L653-T656 PolarHBondContact O-N 2.75Å; L653-M657 HydrophobicContact CD1-CG 4.41Å; L653-M657 HydrophobicContact CG-CE 4.24Å; L653-M657 HydrophobicContact CG-SD 4.48Å; L653-M657 VanDerWaalsContact O-CG 3.31Å; L653-M657 WeakPolarHBondContact O-CG 3.38Å; L653-M657 PolarHBondContact O-N 2.84Å
654	L	93.6	Very high	88.1	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.3	-48.7	177.3	177.3	52.3	0	0	0	111.8	A562 I566 L650 G651 T656 M657 I658 I701 V702 M705 W724	A562-L654 HydrophobicContact CB-CD1 4.12Å; I566-L654 HydrophobicContact CD1-CB 3.92Å; I566-L654 HydrophobicContact CG1-CB 3.99Å; I566-L654 HydrophobicContact CG1-CD1 3.82Å; I566-L654 HydrophobicContact CG1-CD2 4.27Å; I566-L654 HydrophobicContact CG1-CG 4.22Å; L650-L654 WeakPolarHBondContact O-CB 3.5Å; L650-L654 PolarHBondContact O-N 3.3Å; G651-L654 PolarHBondContact O-N 3.15Å; L654-T656 VanDerWaalsContact C-N 3.29Å; L654-T656 PolarHBondContact O-N 3.41Å; L654-M657 HydrophobicContact CD1-CE 4.31Å; L654-M657 PolarHBondContact O-N 2.72Å; L654-I658 HydrophobicContact CD1-CD1 3.6Å; L654-I658 HydrophobicContact CD1-CG1 4.02Å; L654-I658 HydrophobicContact CG-CD1 4.12Å; L654-I658 PolarHBondContact O-N 3.35Å; L654-I701 HydrophobicContact CD2-CG2 3.83Å; L654-V702 HydrophobicContact CD2-CG2 3.57Å; L654-V702 HydrophobicContact CG-CG2 3.67Å; L654-M705 HydrophobicContact CD2-SD 4.17Å; L654-W724 HydrophobicContact CD1-CH2 3.37Å; L654-W724 HydrophobicContact CD1-CZ2 4.01Å; L654-W724 HydrophobicContact CD1-CZ3 4.03Å; L654-W724 HydrophobicContact CD2-CE3 4.5Å; L654-W724 HydrophobicContact CD2-CH2 4.03Å; L654-W724 HydrophobicContact CD2-CZ3 3.87Å; L654-W724 HydrophobicContact CG-CH2 4.35Å
655	Y	92.5	Very high	88	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-53.9	-49.3	175.5	-179.9	-78.6	0	0	0	110.5	G651 I652 M657 I658 A659 F661 P663 V684 V685 W691 V702	G651-Y655 WeakPolarHBondContact O-CB 3.3Å; G651-Y655 PolarHBondContact O-N 3.34Å; I652-Y655 PolarHBondContact O-N 3.14Å; Y655-M657 VanDerWaalsContact C-N 3.33Å; Y655-M657 PolarHBondContact O-N 3.47Å; Y655-I658 PolarHBondContact O-N 3.42Å; Y655-A659 HydrophobicContact CD1-CB 3.86Å; Y655-A659 HydrophobicContact CE1-CB 3.42Å; Y655-A659 VanDerWaalsContact CE1-CB 3.42Å; Y655-A659 HydrophobicContact CE2-CB 4.38Å; Y655-A659 WeakPolarHBondContact O-CB 3.31Å; Y655-A659 PolarHBondContact O-N 2.94Å; Y655-F661 HydrophobicContact CE1-CD2 4.1Å; Y655-F661 AromaticContact CE1-CE2 3.91Å; Y655-F661 HydrophobicContact CE1-CE2 3.91Å; Y655-F661 HydrophobicContact CE1-CZ 4.38Å; Y655-F661 WeakPolarHBondContact CE1-O 3.43Å; Y655-F661 AromaticContact CZ-CE2 3.92Å; Y655-F661 WeakPolarHBondContact OH-CE2 3.13Å; Y655-F661 VanDerWaalsContact OH-CZ 3.23Å; Y655-F661 WeakPolarHBondContact OH-CZ 3.3Å; Y655-P663 HydrophobicContact CD1-CB 3.5Å; Y655-P663 VanDerWaalsContact CD1-CB 3.5Å; Y655-P663 HydrophobicContact CD1-CG 3.87Å; Y655-P663 HydrophobicContact CD2-CB 4.05Å; Y655-P663 HydrophobicContact CE1-CB 3.69Å; Y655-P663 HydrophobicContact CE1-CG 4.44Å; Y655-P663 HydrophobicContact CE2-CB 4.24Å; Y655-P663 HydrophobicContact CG-CB 3.69Å; Y655-P663 HydrophobicContact CG-CG 4.11Å; Y655-V684 HydrophobicContact CD2-CG1 3.44Å; Y655-V684 VanDerWaalsContact CD2-CG1 3.44Å; Y655-V684 HydrophobicContact CE2-CG1 3.17Å; Y655-V684 HydrophobicContact CG-CG1 4.49Å; Y655-V685 VanDerWaalsContact CE2-O 3.28Å; Y655-V685 WeakPolarHBondContact CE2-O 3.47Å; Y655-V685 PolarHBondContact OH-O 3.1Å; Y655-W691 AromaticContact CD2-CH2 3.99Å; Y655-W691 HydrophobicContact CD2-CH2 3.99Å; Y655-W691 AromaticContact CD2-CZ2 3.35Å; Y655-W691 HydrophobicContact CD2-CZ2 3.35Å; Y655-W691 AromaticContact CE2-CE2 3.84Å; Y655-W691 HydrophobicContact CE2-CH2 4.34Å; Y655-W691 AromaticContact CE2-CZ2 3.35Å; Y655-W691 HydrophobicContact CE2-CZ2 3.35Å; Y655-W691 AromaticContact CE2-NE1 3.85Å; Y655-W691 HydrophobicContact CG-CZ2 4.05Å; Y655-W691 AromaticContact CZ-NE1 3.99Å; Y655-V702 HydrophobicContact CD2-CG1 3.99Å
656	T	90	Very high	87.7	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.1	-35.5	-178.5	-60.8	0	0	0	0	112.8	L548 I652 L653 L654 G660 F661 V744 L748	L548-T656 HydrophobicContact CD1-CG2 4.11Å; L548-T656 HydrophobicContact CD2-CG2 4.44Å; I652-T656 PolarHBondContact O-N 2.86Å; I652-T656 PolarHBondContact O-OG1 2.83Å; I652-T656 VanDerWaalsContact O-OG1 3.12Å; L653-T656 PolarHBondContact O-N 2.75Å; L654-T656 VanDerWaalsContact C-N 3.29Å; L654-T656 PolarHBondContact O-N 3.41Å; T656-G660 WeakPolarHBondContact O-CA 3.33Å; T656-G660 PolarHBondContact O-N 3.22Å; T656-F661 WeakPolarHBondContact CA-O 3.17Å; T656-F661 PolarHBondContact OG1-O 3.15Å; T656-V744 HydrophobicContact CG2-CG1 3.43Å; T656-V744 VanDerWaalsContact CG2-CG1 3.43Å; T656-L748 HydrophobicContact CG2-CD2 4.29Å
657	M	90.8	Very high	87.1	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.6	-39.7	175.5	-68.9	-169.1	-62	0	0	112.3	V551 F557 A562 I565 I566 L653 L654 Y655 R738	V551-M657 HydrophobicContact CG1-CB 4.29Å; V551-M657 HydrophobicContact CG1-CG 3.95Å; V551-M657 HydrophobicContact CG1-SD 4.36Å; V551-M657 HydrophobicContact CG2-SD 4.15Å; F557-M657 HydrophobicContact CE1-CB 4.31Å; F557-M657 HydrophobicContact CZ-CB 4.39Å; F557-M657 HydrophobicContact CZ-SD 4.31Å; A562-M657 HydrophobicContact CB-CE 4.43Å; I565-M657 HydrophobicContact CB-CE 4.41Å; I565-M657 HydrophobicContact CB-SD 4.47Å; I565-M657 HydrophobicContact CD1-SD 4.12Å; I565-M657 HydrophobicContact CG2-CE 3.98Å; I565-M657 HydrophobicContact CG2-SD 3.97Å; I566-M657 HydrophobicContact CD1-CE 3.64Å; I566-M657 HydrophobicContact CG1-CE 3.77Å; L653-M657 HydrophobicContact CD1-CG 4.41Å; L653-M657 HydrophobicContact CG-CE 4.24Å; L653-M657 HydrophobicContact CG-SD 4.48Å; L653-M657 VanDerWaalsContact O-CG 3.31Å; L653-M657 WeakPolarHBondContact O-CG 3.38Å; L653-M657 PolarHBondContact O-N 2.84Å; L654-M657 HydrophobicContact CD1-CE 4.31Å; L654-M657 PolarHBondContact O-N 2.72Å; Y655-M657 VanDerWaalsContact C-N 3.33Å; Y655-M657 PolarHBondContact O-N 3.47Å; M657-R738 PolarHBondContact O-NH2 3.17Å
658	I	91.1	Very high	86.3	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-78.1	-54.9	179.7	-68.5	173.8	0	0	0	111.6	A562 L654 Y655 G660 N690 W691 V694 A698 V702 W724	A562-I658 HydrophobicContact CB-CG1 4.41Å; L654-I658 HydrophobicContact CD1-CD1 3.6Å; L654-I658 HydrophobicContact CD1-CG1 4.02Å; L654-I658 HydrophobicContact CG-CD1 4.12Å; L654-I658 PolarHBondContact O-N 3.35Å; Y655-I658 PolarHBondContact O-N 3.42Å; I658-G660 VanDerWaalsContact C-N 3.35Å; I658-G660 PolarHBondContact O-N 3.33Å; I658-N690 WeakPolarHBondContact O-CB 3.36Å; I658-N690 PolarHBondContact O-ND2 3.23Å; I658-W691 HydrophobicContact CB-CH2 4.03Å; I658-W691 HydrophobicContact CB-CZ2 4.33Å; I658-W691 HydrophobicContact CB-CZ3 4.44Å; I658-W691 HydrophobicContact CD1-CH2 4.27Å; I658-W691 HydrophobicContact CD1-CZ3 4.28Å; I658-W691 HydrophobicContact CG2-CD2 4.22Å; I658-W691 HydrophobicContact CG2-CE3 3.97Å; I658-W691 HydrophobicContact CG2-CH2 3.73Å; I658-W691 HydrophobicContact CG2-CZ2 3.99Å; I658-W691 HydrophobicContact CG2-CZ3 3.74Å; I658-V694 HydrophobicContact CG2-CG1 3.87Å; I658-V694 HydrophobicContact CG2-CG2 4.33Å; I658-A698 HydrophobicContact CD1-CB 4.18Å; I658-V702 HydrophobicContact CD1-CG2 4.43Å; I658-W724 HydrophobicContact CD1-CZ2 4.34Å
659	A	88.7	Confident	85.9	Confident	8 Å²	8	23 Å²	23	7%	0.066	14%	0.138	C	C	.	.	H	α-helix	trans	-72.8	-29	-173.7	0	0	0	0	0	112.5	Y655 F661 W691	Y655-A659 HydrophobicContact CD1-CB 3.86Å; Y655-A659 HydrophobicContact CE1-CB 3.42Å; Y655-A659 VanDerWaalsContact CE1-CB 3.42Å; Y655-A659 HydrophobicContact CE2-CB 4.38Å; Y655-A659 WeakPolarHBondContact O-CB 3.31Å; Y655-A659 PolarHBondContact O-N 2.94Å; A659-F661 VanDerWaalsContact C-N 3.31Å; A659-F661 HydrophobicContact CB-CD1 3.88Å; A659-F661 HydrophobicContact CB-CE1 3.64Å; A659-F661 HydrophobicContact CB-CG 4.39Å; A659-F661 HydrophobicContact CB-CZ 3.98Å; A659-F661 WeakPolarHBondContact O-CD1 3.25Å; A659-F661 WeakPolarHBondContact O-CE1 3.47Å; A659-W691 HydrophobicContact CB-CZ2 3.96Å
660	G	85.4	Confident	85.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	76.9	14.7	-173.9	0	0	0	0	0	114	T656 I658 V744	T656-G660 WeakPolarHBondContact O-CA 3.33Å; T656-G660 PolarHBondContact O-N 3.22Å; I658-G660 VanDerWaalsContact C-N 3.35Å; I658-G660 PolarHBondContact O-N 3.33Å; G660-V744 WeakPolarHBondContact O-CG2 3.4Å
661	F	84.9	Confident	85	Confident	67 Å²	67	26.3 Å²	26.3	29%	0.294	16%	0.158	S	C	.	.	S	Bend	trans	-151	169.3	174.7	59	-87.9	0	0	0	111.1	Y655 T656 A659	Y655-F661 HydrophobicContact CE1-CD2 4.1Å; Y655-F661 AromaticContact CE1-CE2 3.91Å; Y655-F661 HydrophobicContact CE1-CE2 3.91Å; Y655-F661 HydrophobicContact CE1-CZ 4.38Å; Y655-F661 WeakPolarHBondContact CE1-O 3.43Å; Y655-F661 AromaticContact CZ-CE2 3.92Å; Y655-F661 WeakPolarHBondContact OH-CE2 3.13Å; Y655-F661 VanDerWaalsContact OH-CZ 3.23Å; Y655-F661 WeakPolarHBondContact OH-CZ 3.3Å; T656-F661 WeakPolarHBondContact CA-O 3.17Å; T656-F661 PolarHBondContact OG1-O 3.15Å; A659-F661 VanDerWaalsContact C-N 3.31Å; A659-F661 HydrophobicContact CB-CD1 3.88Å; A659-F661 HydrophobicContact CB-CE1 3.64Å; A659-F661 HydrophobicContact CB-CG 4.39Å; A659-F661 HydrophobicContact CB-CZ 3.98Å; A659-F661 WeakPolarHBondContact O-CD1 3.25Å; A659-F661 WeakPolarHBondContact O-CE1 3.47Å
662	S	84.7	Confident	84.2	Confident	3 Å²	3	26.8 Å²	26.8	2%	0.021	16%	0.162	C	C	.	.			trans	-75.4	141	179.2	174.7	0	0	0	0	111.2	F664 A665 T751	S662-F664 VanDerWaalsContact C-N 3.3Å; S662-F664 PolarHBondContact O-N 3.43Å; S662-A665 WeakPolarHBondContact CB-O 3.1Å; S662-T751 PolarHBondContact OG-OG1 2.91Å
663	P	84.3	Confident	83.5	Confident	15 Å²	15	33.1 Å²	33.1	10%	0.097	19%	0.191	C	C	.	.	S	Bend	trans	-67	-26.8	-177.2	21.6	-29.5	0	0	0	114.6	I652 Y655 V684	I652-P663 HydrophobicContact CD1-CG 3.49Å; I652-P663 VanDerWaalsContact CD1-CG 3.49Å; I652-P663 HydrophobicContact CG2-CG 4.21Å; Y655-P663 HydrophobicContact CD1-CB 3.5Å; Y655-P663 VanDerWaalsContact CD1-CB 3.5Å; Y655-P663 HydrophobicContact CD1-CG 3.87Å; Y655-P663 HydrophobicContact CD2-CB 4.05Å; Y655-P663 HydrophobicContact CE1-CB 3.69Å; Y655-P663 HydrophobicContact CE1-CG 4.44Å; Y655-P663 HydrophobicContact CE2-CB 4.24Å; Y655-P663 HydrophobicContact CG-CB 3.69Å; Y655-P663 HydrophobicContact CG-CG 4.11Å; P663-V684 HydrophobicContact CB-CG1 4.15Å
664	F	83.1	Confident	83	Confident	11 Å²	11	38.4 Å²	38.4	5%	0.048	22%	0.216	C	C	.	.	S	Bend	trans	-124.3	-13.5	-169.9	-59.3	-63.9	0	0	0	114.3	W648 I652 S662 I675 Q678 I679 V684 T751	W648-F664 HydrophobicContact CH2-CE2 4.16Å; W648-F664 AromaticContact CH2-CZ 3.97Å; W648-F664 HydrophobicContact CH2-CZ 3.97Å; W648-F664 HydrophobicContact CZ2-CD2 4.5Å; W648-F664 AromaticContact CZ2-CE2 3.54Å; W648-F664 HydrophobicContact CZ2-CE2 3.54Å; W648-F664 AromaticContact CZ2-CZ 3.82Å; W648-F664 HydrophobicContact CZ2-CZ 3.82Å; I652-F664 HydrophobicContact CD1-CD2 3.61Å; I652-F664 HydrophobicContact CD1-CE2 3.38Å; S662-F664 VanDerWaalsContact C-N 3.3Å; S662-F664 PolarHBondContact O-N 3.43Å; F664-I675 HydrophobicContact CB-CG2 4.17Å; F664-Q678 HydrophobicContact CB-CB 4.5Å; F664-Q678 HydrophobicContact CD1-CB 4.15Å; F664-I679 HydrophobicContact CB-CG1 3.97Å; F664-I679 HydrophobicContact CD1-CG1 3.79Å; F664-I679 HydrophobicContact CD2-CD1 4.29Å; F664-I679 HydrophobicContact CD2-CG1 3.62Å; F664-I679 HydrophobicContact CE1-CG1 4.15Å; F664-I679 HydrophobicContact CE2-CG1 4Å; F664-I679 HydrophobicContact CG-CD1 4.39Å; F664-I679 HydrophobicContact CG-CG1 3.5Å; F664-I679 HydrophobicContact CZ-CG1 4.25Å; F664-V684 HydrophobicContact CE1-CG2 3.83Å; F664-V684 HydrophobicContact CZ-CG2 3.77Å; F664-T751 HydrophobicContact CB-CG2 4.24Å; F664-T751 HydrophobicContact CD2-CG2 4.24Å
665	A	79.1	Confident	82	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	22%	0.216	C	C	.	.			trans	-121.2	132.1	175.4	0	0	0	0	0	109.3	S662 D670 I675 A747 T751	S662-A665 WeakPolarHBondContact CB-O 3.1Å; A665-D670 WeakPolarHBondContact CA-OD2 3.37Å; A665-I675 HydrophobicContact CB-CD1 3.96Å; A665-I675 HydrophobicContact CB-CG1 4.11Å; A665-A747 HydrophobicContact CB-CB 4.03Å; A665-A747 VanDerWaalsContact CB-O 3.3Å; A665-A747 WeakPolarHBondContact CB-O 3.47Å; A665-T751 WeakPolarHBondContact CB-OG1 3.19Å
666	S	75.1	Confident	81.1	Confident	108 Å²	108	41 Å²	41	76%	0.755	23%	0.229	S	C	*	.	S	Bend	trans	-92.3	-26.5	175.5	-58.3	0	0	0	0	111.7	D670	S666-D670 PolarHBondContact N-OD2 2.99Å
667	S	73.8	Confident	80.2	Confident	41 Å²	41	44 Å²	44	29%	0.287	25%	0.254	S	S	.	.	S	Bend	trans	-141.7	152.6	-177.8	178.7	0	0	0	0	112	N669 D670	S667-N669 PolarHBondContact O-N 3.19Å; S667-N669 VanDerWaalsContact O-N 3.12Å; S667-N669 PolarHBondContact OG-N 2.89Å; S667-D670 WeakPolarHBondContact CB-OD1 3.4Å; S667-D670 PolarHBondContact N-OD2 3.41Å; S667-D670 PolarHBondContact O-N 3.5Å
668	P	74.8	Confident	79.5	Confident	58 Å²	58	48.8 Å²	48.8	38%	0.377	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.5	171	-20.3	30.8	0	0	0	114.1
669	N	78.9	Confident	78.8	Confident	150 Å²	150	49.6 Å²	49.6	80%	0.802	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.4	-177.2	-65.7	-20.7	0	0	0	113.8	S667	S667-N669 PolarHBondContact O-N 3.19Å; S667-N669 VanDerWaalsContact O-N 3.12Å; S667-N669 PolarHBondContact OG-N 2.89Å
670	D	80.3	Confident	77.8	Confident	48 Å²	48	52 Å²	52	26%	0.257	31%	0.306	S	S	.	.			trans	-61.5	141.3	179	-67.1	-11.8	0	0	0	110.6	A665 S666 S667 I675	A665-D670 WeakPolarHBondContact CA-OD2 3.37Å; S666-D670 PolarHBondContact N-OD2 2.99Å; S667-D670 WeakPolarHBondContact CB-OD1 3.4Å; S667-D670 PolarHBondContact N-OD2 3.41Å; S667-D670 PolarHBondContact O-N 3.5Å; D670-I675 HydrophobicContact CB-CD1 4.02Å; D670-I675 HydrophobicContact CB-CG1 4.07Å
671	S	81.9	Confident	77.4	Confident	39 Å²	39	54.8 Å²	54.8	27%	0.273	33%	0.325	S	S	.	.			trans	-72.2	152.5	-179.4	68.8	0	0	0	0	111.5	E673 E674 I675	S671-E673 PolarHBondContact O-N 3.43Å; S671-E674 WeakPolarHBondContact CB-OE2 3.48Å; S671-E674 PolarHBondContact N-OE2 3Å; S671-E674 PolarHBondContact O-N 3.47Å; S671-E674 WeakPolarHBondContact OG-CB 3.42Å; S671-E674 WeakPolarHBondContact OG-CG 3.43Å; S671-E674 PolarHBondContact OG-N 2.96Å; S671-E674 PolarHBondContact OG-OE2 3.24Å; S671-I675 VanDerWaalsContact O-CG1 3.32Å; S671-I675 WeakPolarHBondContact O-CG1 3.32Å; S671-I675 PolarHBondContact O-N 3.4Å
672	A	74.2	Confident	76.6	Confident	10 Å²	10	53.2 Å²	53.2	8%	0.083	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-33.1	179	0	0	0	0	0	111.3	L676 A754	A672-L676 WeakPolarHBondContact O-CB 3.44Å; A672-L676 WeakPolarHBondContact O-CD1 3.47Å; A672-L676 WeakPolarHBondContact O-CG 3.38Å; A672-L676 PolarHBondContact O-N 3.48Å; A672-A754 HydrophobicContact CB-CB 3.86Å
673	E	75.9	Confident	76.2	Confident	132 Å²	132	61 Å²	61	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-66.2	-44.5	179.5	-64.6	71	-156.4	0	0	111.8	S671 L676 A677	S671-E673 PolarHBondContact O-N 3.43Å; E673-L676 PolarHBondContact O-N 3.01Å; E673-A677 WeakPolarHBondContact O-CB 3.41Å; E673-A677 PolarHBondContact O-N 2.98Å
674	E	79.2	Confident	76.1	Confident	115 Å²	115	61.6 Å²	61.6	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-45.7	176.1	-73.4	160.2	159.3	0	0	111.4	S671 L676 A677 Q678	S671-E674 WeakPolarHBondContact CB-OE2 3.48Å; S671-E674 PolarHBondContact N-OE2 3Å; S671-E674 PolarHBondContact O-N 3.47Å; S671-E674 WeakPolarHBondContact OG-CB 3.42Å; S671-E674 WeakPolarHBondContact OG-CG 3.43Å; S671-E674 PolarHBondContact OG-N 2.96Å; S671-E674 PolarHBondContact OG-OE2 3.24Å; E674-L676 PolarHBondContact O-N 3.26Å; E674-A677 WeakPolarHBondContact O-CB 3.25Å; E674-A677 PolarHBondContact O-N 2.92Å; E674-Q678 WeakPolarHBondContact O-CG 3.5Å; E674-Q678 PolarHBondContact O-N 3.43Å
675	I	74.3	Confident	76.3	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-61.4	-45.2	178	-65.2	168.8	0	0	0	110.5	F664 A665 D670 S671 A677 Q678 I679 A750 T751 A754	F664-I675 HydrophobicContact CB-CG2 4.17Å; A665-I675 HydrophobicContact CB-CD1 3.96Å; A665-I675 HydrophobicContact CB-CG1 4.11Å; D670-I675 HydrophobicContact CB-CD1 4.02Å; D670-I675 HydrophobicContact CB-CG1 4.07Å; S671-I675 VanDerWaalsContact O-CG1 3.32Å; S671-I675 WeakPolarHBondContact O-CG1 3.32Å; S671-I675 PolarHBondContact O-N 3.4Å; I675-A677 VanDerWaalsContact C-N 3.33Å; I675-A677 PolarHBondContact O-N 2.98Å; I675-Q678 PolarHBondContact O-N 3.4Å; I675-I679 HydrophobicContact CG2-CD1 3.91Å; I675-I679 VanDerWaalsContact O-CG1 3.31Å; I675-I679 WeakPolarHBondContact O-CG1 3.29Å; I675-I679 PolarHBondContact O-N 3.35Å; I675-A750 HydrophobicContact CD1-CB 3.91Å; I675-T751 HydrophobicContact CG2-CG2 4.25Å; I675-A754 HydrophobicContact CB-CB 4.1Å; I675-A754 HydrophobicContact CD1-CB 4.3Å; I675-A754 HydrophobicContact CG2-CB 3.9Å
676	L	71.9	Confident	76.7	Confident	51 Å²	51	67 Å²	67	27%	0.267	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-35.1	178.2	-72.5	170.6	0	0	0	112	A672 E673 E674 I679 G680 A754 C758	A672-L676 WeakPolarHBondContact O-CB 3.44Å; A672-L676 WeakPolarHBondContact O-CD1 3.47Å; A672-L676 WeakPolarHBondContact O-CG 3.38Å; A672-L676 PolarHBondContact O-N 3.48Å; E673-L676 PolarHBondContact O-N 3.01Å; E674-L676 PolarHBondContact O-N 3.26Å; L676-I679 HydrophobicContact CD2-CD1 4.44Å; L676-I679 PolarHBondContact O-N 3.39Å; L676-G680 PolarHBondContact O-N 2.94Å; L676-A754 HydrophobicContact CG-CB 4.39Å; L676-C758 HydrophobicContact CD2-CB 4.4Å
677	A	72.8	Confident	77.3	Confident	63 Å²	63	66.7 Å²	66.7	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-40.4	173.5	0	0	0	0	0	111.9	E673 E674 I675 G680 S681	E673-A677 WeakPolarHBondContact O-CB 3.41Å; E673-A677 PolarHBondContact O-N 2.98Å; E674-A677 WeakPolarHBondContact O-CB 3.25Å; E674-A677 PolarHBondContact O-N 2.92Å; I675-A677 VanDerWaalsContact C-N 3.33Å; I675-A677 PolarHBondContact O-N 2.98Å; A677-G680 PolarHBondContact O-N 3.06Å; A677-S681 PolarHBondContact O-N 3.39Å
678	Q	76.1	Confident	77.8	Confident	101 Å²	101	66.3 Å²	66.3	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-45.6	174.1	-69.3	-61.1	-35.8	0	0	111.5	F664 E674 I675 G680 S681	F664-Q678 HydrophobicContact CB-CB 4.5Å; F664-Q678 HydrophobicContact CD1-CB 4.15Å; E674-Q678 WeakPolarHBondContact O-CG 3.5Å; E674-Q678 PolarHBondContact O-N 3.43Å; I675-Q678 PolarHBondContact O-N 3.4Å; Q678-G680 PolarHBondContact O-N 3.02Å; Q678-S681 WeakPolarHBondContact O-CB 3.41Å; Q678-S681 PolarHBondContact O-N 3.18Å; Q678-S681 PolarHBondContact O-OG 3.04Å
679	I	75.2	Confident	78.4	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	40%	0.404	C	S	.	.	H	α-helix	trans	-58.7	-47.2	174.9	-68.4	165	0	0	0	110.8	W648 F664 I675 L676 S681 G682 L755	W648-I679 HydrophobicContact CH2-CG2 3.97Å; W648-I679 HydrophobicContact CZ2-CG1 4.49Å; W648-I679 HydrophobicContact CZ2-CG2 3.8Å; F664-I679 HydrophobicContact CB-CG1 3.97Å; F664-I679 HydrophobicContact CD1-CG1 3.79Å; F664-I679 HydrophobicContact CD2-CD1 4.29Å; F664-I679 HydrophobicContact CD2-CG1 3.62Å; F664-I679 HydrophobicContact CE1-CG1 4.15Å; F664-I679 HydrophobicContact CE2-CG1 4Å; F664-I679 HydrophobicContact CG-CD1 4.39Å; F664-I679 HydrophobicContact CG-CG1 3.5Å; F664-I679 HydrophobicContact CZ-CG1 4.25Å; I675-I679 HydrophobicContact CG2-CD1 3.91Å; I675-I679 VanDerWaalsContact O-CG1 3.31Å; I675-I679 WeakPolarHBondContact O-CG1 3.29Å; I675-I679 PolarHBondContact O-N 3.35Å; L676-I679 HydrophobicContact CD2-CD1 4.44Å; L676-I679 PolarHBondContact O-N 3.39Å; I679-S681 VanDerWaalsContact C-N 3.25Å; I679-S681 PolarHBondContact O-N 3.12Å; I679-G682 PolarHBondContact O-N 3.33Å; I679-G682 VanDerWaalsContact O-N 3.13Å; I679-L755 HydrophobicContact CD1-CD2 3.83Å; I679-L755 HydrophobicContact CD1-CG 4.15Å
680	G	68.3	Low	79	Confident	58 Å²	58	59.9 Å²	59.9	60%	0.598	37%	0.369	S	S	*	.	H	α-helix	trans	-65.3	-25.7	179.4	0	0	0	0	0	113.9	L676 A677 Q678 G682	L676-G680 PolarHBondContact O-N 2.94Å; A677-G680 PolarHBondContact O-N 3.06Å; Q678-G680 PolarHBondContact O-N 3.02Å; G680-G682 VanDerWaalsContact C-N 3.25Å; G680-G682 PolarHBondContact O-N 3.06Å
681	S	77	Confident	79.5	Confident	58 Å²	58	57.7 Å²	57.7	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-70.2	-22.5	175	84.2	0	0	0	0	113.1	A677 Q678 I679 K683	A677-S681 PolarHBondContact O-N 3.39Å; Q678-S681 WeakPolarHBondContact O-CB 3.41Å; Q678-S681 PolarHBondContact O-N 3.18Å; Q678-S681 PolarHBondContact O-OG 3.04Å; I679-S681 VanDerWaalsContact C-N 3.25Å; I679-S681 PolarHBondContact O-N 3.12Å; S681-K683 PolarHBondContact O-N 3.31Å; S681-K683 VanDerWaalsContact O-N 3.15Å; S681-K683 PolarHBondContact OG-N 2.98Å
682	G	68.4	Low	79.8	Confident	35 Å²	35	61 Å²	61	36%	0.361	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	7.6	-176.8	0	0	0	0	0	115.3	I679 G680	I679-G682 PolarHBondContact O-N 3.33Å; I679-G682 VanDerWaalsContact O-N 3.13Å; G680-G682 VanDerWaalsContact C-N 3.25Å; G680-G682 PolarHBondContact O-N 3.06Å
683	K	74.9	Confident	80.5	Confident	165 Å²	165	63.7 Å²	63.7	72%	0.717	39%	0.385	S	S	*	.			trans	-93.1	114.6	-179.9	-66.3	-176.7	-178.7	-179.6	0	109.7	S681	S681-K683 PolarHBondContact O-N 3.31Å; S681-K683 VanDerWaalsContact O-N 3.15Å; S681-K683 PolarHBondContact OG-N 2.98Å
684	V	83.4	Confident	81.3	Confident	28 Å²	28	58 Å²	58	17%	0.17	36%	0.359	C	S	.	.			trans	-109.7	138.4	173.2	-177.1	0	0	0	0	108.2	Y655 P663 F664 I686 L706	Y655-V684 HydrophobicContact CD2-CG1 3.44Å; Y655-V684 VanDerWaalsContact CD2-CG1 3.44Å; Y655-V684 HydrophobicContact CE2-CG1 3.17Å; Y655-V684 HydrophobicContact CG-CG1 4.49Å; P663-V684 HydrophobicContact CB-CG1 4.15Å; F664-V684 HydrophobicContact CE1-CG2 3.83Å; F664-V684 HydrophobicContact CZ-CG2 3.77Å; V684-I686 HydrophobicContact CB-CG2 4.5Å; V684-I686 HydrophobicContact CG1-CG2 4.27Å; V684-I686 PolarHBondContact O-N 3.47Å; V684-L706 HydrophobicContact CG1-CD1 4.36Å; V684-L706 HydrophobicContact CG2-CD1 4.18Å
685	V	85.9	Confident	81.9	Confident	85 Å²	85	54.1 Å²	54.1	52%	0.515	35%	0.345	S	S	.	.			trans	-76.8	108.7	179.6	-179.8	0	0	0	0	109.6	Y655 W691	Y655-V685 VanDerWaalsContact CE2-O 3.28Å; Y655-V685 WeakPolarHBondContact CE2-O 3.47Å; Y655-V685 PolarHBondContact OH-O 3.1Å; V685-W691 PolarHBondContact O-NE1 3.45Å; V685-W691 VanDerWaalsContact O-NE1 3.1Å
686	I	88.5	Confident	82.8	Confident	42 Å²	42	60.3 Å²	60.3	22%	0.215	37%	0.374	C	S	.	.			trans	-121.5	17.5	-175.6	57.6	168.8	0	0	0	112.9	V684 W691 I703	V684-I686 HydrophobicContact CB-CG2 4.5Å; V684-I686 HydrophobicContact CG1-CG2 4.27Å; V684-I686 PolarHBondContact O-N 3.47Å; I686-W691 WeakPolarHBondContact O-CB 3.42Å; I686-I703 HydrophobicContact CD1-CD1 3.4Å; I686-I703 HydrophobicContact CD1-CG1 3.94Å; I686-I703 HydrophobicContact CG2-CG1 4.42Å
687	T	86.9	Confident	83.9	Confident	101 Å²	101	59.3 Å²	59.3	62%	0.62	37%	0.373	S	S	*	.	S	Bend	trans	-130.9	149	177.4	53.5	0	0	0	0	109.3
688	G	85.6	Confident	84.9	Confident	34 Å²	34	56.3 Å²	56.3	35%	0.351	35%	0.348	S	S	.	.	S	Bend	trans	85.5	149.5	180	0	0	0	0	0	114.1	N690 W691 D692	G688-N690 PolarHBondContact O-N 3.05Å; G688-W691 PolarHBondContact O-N 3.43Å; G688-D692 VanDerWaalsContact CA-OD2 3.23Å; G688-D692 WeakPolarHBondContact CA-OD2 3.25Å; G688-D692 PolarHBondContact N-OD1 2.87Å
689	G	88	Confident	85.8	Confident	59 Å²	59	52.8 Å²	52.8	61%	0.608	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	65.6	-129	177.2	0	0	0	0	0	111.6	W691 D692	G689-W691 PolarHBondContact O-N 2.83Å; G689-D692 PolarHBondContact N-OD2 3.38Å; G689-D692 PolarHBondContact O-N 3.12Å
690	N	89.7	Confident	86.7	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.07	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.8	-25.6	178.5	-71.9	-9.9	0	0	0	113.4	I658 G688 D692 L693 V694 L736 A737	I658-N690 WeakPolarHBondContact O-CB 3.36Å; I658-N690 PolarHBondContact O-ND2 3.23Å; G688-N690 PolarHBondContact O-N 3.05Å; N690-D692 PolarHBondContact O-N 3.06Å; N690-L693 WeakPolarHBondContact O-CB 3.49Å; N690-L693 PolarHBondContact O-N 3.17Å; N690-V694 PolarHBondContact O-N 3.43Å; N690-L736 HydrophobicContact CB-CD2 4.15Å; N690-A737 PolarHBondContact ND2-N 2.79Å; N690-A737 PolarHBondContact ND2-O 2.98Å; N690-A737 PolarHBondContact OD1-N 2.69Å
691	W	92.1	Very high	88	Confident	2 Å²	2	52 Å²	52	1%	0.008	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-67.6	-19	-179.8	-67	110.3	0	0	0	113.4	Y655 I658 A659 V685 I686 G688 G689 L693 V694 K699 V702	Y655-W691 AromaticContact CD2-CH2 3.99Å; Y655-W691 HydrophobicContact CD2-CH2 3.99Å; Y655-W691 AromaticContact CD2-CZ2 3.35Å; Y655-W691 HydrophobicContact CD2-CZ2 3.35Å; Y655-W691 AromaticContact CE2-CE2 3.84Å; Y655-W691 HydrophobicContact CE2-CH2 4.34Å; Y655-W691 AromaticContact CE2-CZ2 3.35Å; Y655-W691 HydrophobicContact CE2-CZ2 3.35Å; Y655-W691 AromaticContact CE2-NE1 3.85Å; Y655-W691 HydrophobicContact CG-CZ2 4.05Å; Y655-W691 AromaticContact CZ-NE1 3.99Å; I658-W691 HydrophobicContact CB-CH2 4.03Å; I658-W691 HydrophobicContact CB-CZ2 4.33Å; I658-W691 HydrophobicContact CB-CZ3 4.44Å; I658-W691 HydrophobicContact CD1-CH2 4.27Å; I658-W691 HydrophobicContact CD1-CZ3 4.28Å; I658-W691 HydrophobicContact CG2-CD2 4.22Å; I658-W691 HydrophobicContact CG2-CE3 3.97Å; I658-W691 HydrophobicContact CG2-CH2 3.73Å; I658-W691 HydrophobicContact CG2-CZ2 3.99Å; I658-W691 HydrophobicContact CG2-CZ3 3.74Å; A659-W691 HydrophobicContact CB-CZ2 3.96Å; V685-W691 PolarHBondContact O-NE1 3.45Å; V685-W691 VanDerWaalsContact O-NE1 3.1Å; I686-W691 WeakPolarHBondContact O-CB 3.42Å; G688-W691 PolarHBondContact O-N 3.43Å; G689-W691 PolarHBondContact O-N 2.83Å; W691-L693 VanDerWaalsContact C-N 3.29Å; W691-V694 HydrophobicContact CE3-CG2 3.82Å; W691-V694 HydrophobicContact CZ3-CG2 4.36Å; W691-K699 HydrophobicContact CE3-CG 3.99Å; W691-K699 HydrophobicContact CZ3-CG 4.41Å; W691-K699 WeakPolarHBondContact O-CE 3.43Å; W691-K699 PolarHBondContact O-NZ 3.21Å; W691-V702 HydrophobicContact CH2-CB 4.29Å; W691-V702 HydrophobicContact CH2-CG1 4.04Å; W691-V702 HydrophobicContact CH2-CG2 3.98Å; W691-V702 HydrophobicContact CZ3-CG2 4.36Å
692	D	88.7	Confident	88.9	Confident	109 Å²	109	49.3 Å²	49.3	58%	0.583	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-82.3	-11.4	174.2	-56.8	-26.6	0	0	0	112.1	G688 G689 N690	G688-D692 VanDerWaalsContact CA-OD2 3.23Å; G688-D692 WeakPolarHBondContact CA-OD2 3.25Å; G688-D692 PolarHBondContact N-OD1 2.87Å; G689-D692 PolarHBondContact N-OD2 3.38Å; G689-D692 PolarHBondContact O-N 3.12Å; N690-D692 PolarHBondContact O-N 3.06Å
693	L	88.4	Confident	90.1	Very high	67 Å²	67	51.2 Å²	51.2	35%	0.351	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-14.9	-176.7	-58.3	177.7	0	0	0	113.9	N690 W691 S732 L736	N690-L693 WeakPolarHBondContact O-CB 3.49Å; N690-L693 PolarHBondContact O-N 3.17Å; W691-L693 VanDerWaalsContact C-N 3.29Å; L693-S732 PolarHBondContact O-OG 3.42Å; L693-L736 HydrophobicContact CB-CD2 4.49Å
694	V	91.4	Very high	91	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	28%	0.278	C	S	.	.	S	Bend	trans	-99.9	160.7	-178.1	-60.7	0	0	0	0	112	E559 I658 N690 W691 A698 L736	E559-V694 HydrophobicContact CB-CG1 4.27Å; E559-V694 HydrophobicContact CG-CB 4.34Å; E559-V694 HydrophobicContact CG-CG1 4.2Å; E559-V694 WeakPolarHBondContact OE2-CA 3.4Å; I658-V694 HydrophobicContact CG2-CG1 3.87Å; I658-V694 HydrophobicContact CG2-CG2 4.33Å; N690-V694 PolarHBondContact O-N 3.43Å; W691-V694 HydrophobicContact CE3-CG2 3.82Å; W691-V694 HydrophobicContact CZ3-CG2 4.36Å; V694-A698 HydrophobicContact CB-CB 4.02Å; V694-A698 HydrophobicContact CG2-CB 4.01Å; V694-L736 HydrophobicContact CG1-CD2 3.86Å
695	S	93.6	Very high	91.4	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	27%	0.27	C	S	.	.			trans	-64.4	157.1	179.7	71.9	0	0	0	0	113.6	E559 A697 A698 K699	E559-S695 WeakPolarHBondContact OE1-CB 3.39Å; E559-S695 PolarHBondContact OE1-N 3.15Å; E559-S695 PolarHBondContact OE1-OG 2.89Å; E559-S695 PolarHBondContact OE2-N 3.36Å; S695-A697 PolarHBondContact O-N 3.42Å; S695-A697 PolarHBondContact OG-N 2.95Å; S695-A698 WeakPolarHBondContact O-CB 3.28Å; S695-A698 PolarHBondContact O-N 2.93Å; S695-A698 VanDerWaalsContact O-N 3.12Å; S695-A698 PolarHBondContact OG-N 2.9Å; S695-K699 PolarHBondContact O-N 3.32Å
696	E	92.7	Very high	91.6	Very high	132 Å²	132	42 Å²	42	62%	0.617	25%	0.247	S	C	*	.	H	α-helix	trans	-61.9	-28	169	-68.4	-56.7	126.1	0	0	111.8	A698 K699 D700	E696-A698 VanDerWaalsContact C-N 3.34Å; E696-A698 PolarHBondContact O-N 3.41Å; E696-K699 PolarHBondContact O-N 2.87Å; E696-K699 IonicContact OE1-NZ 3.36Å; E696-K699 PolarHBondContact OE1-NZ 2.8Å; E696-D700 WeakPolarHBondContact O-CB 3.5Å; E696-D700 PolarHBondContact O-N 2.81Å
697	A	94.1	Very high	91.5	Very high	30 Å²	30	42.7 Å²	42.7	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-33.5	174.7	0	0	0	0	0	112.5	S695 I701 W724	S695-A697 PolarHBondContact O-N 3.42Å; S695-A697 PolarHBondContact OG-N 2.95Å; A697-I701 PolarHBondContact O-N 3.32Å; A697-W724 HydrophobicContact CB-CB 3.97Å; A697-W724 HydrophobicContact CB-CG 4.46Å
698	A	94.1	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-43.3	172.3	0	0	0	0	0	111.7	E559 I658 V694 S695 E696 I701 V702 W724	E559-A698 WeakPolarHBondContact OE1-CB 3.32Å; I658-A698 HydrophobicContact CD1-CB 4.18Å; V694-A698 HydrophobicContact CB-CB 4.02Å; V694-A698 HydrophobicContact CG2-CB 4.01Å; S695-A698 WeakPolarHBondContact O-CB 3.28Å; S695-A698 PolarHBondContact O-N 2.93Å; S695-A698 VanDerWaalsContact O-N 3.12Å; S695-A698 PolarHBondContact OG-N 2.9Å; E696-A698 VanDerWaalsContact C-N 3.34Å; E696-A698 PolarHBondContact O-N 3.41Å; A698-I701 WeakPolarHBondContact O-CG2 3.37Å; A698-V702 WeakPolarHBondContact O-CB 3.34Å; A698-V702 VanDerWaalsContact O-CG2 3.24Å; A698-V702 WeakPolarHBondContact O-CG2 3.42Å; A698-V702 PolarHBondContact O-N 2.72Å; A698-W724 VanDerWaalsContact CA-CD1 3.44Å; A698-W724 VanDerWaalsContact N-CD1 3.28Å
699	K	94.6	Very high	90.8	Very high	27 Å²	27	42 Å²	42	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-47.6	177.3	-63.4	174.5	-172.6	167	0	110.4	W691 S695 E696 V702 I703	W691-K699 HydrophobicContact CE3-CG 3.99Å; W691-K699 HydrophobicContact CZ3-CG 4.41Å; W691-K699 WeakPolarHBondContact O-CE 3.43Å; W691-K699 PolarHBondContact O-NZ 3.21Å; S695-K699 PolarHBondContact O-N 3.32Å; E696-K699 PolarHBondContact O-N 2.87Å; E696-K699 IonicContact OE1-NZ 3.36Å; E696-K699 PolarHBondContact OE1-NZ 2.8Å; K699-V702 PolarHBondContact O-N 3.21Å; K699-I703 WeakPolarHBondContact O-CD1 3.32Å; K699-I703 WeakPolarHBondContact O-CG1 3.46Å; K699-I703 PolarHBondContact O-N 3.49Å; K699-I703 VanDerWaalsContact O-N 3.07Å
700	D	95.3	Very high	90.4	Very high	60 Å²	60	40.6 Å²	40.6	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-46.8	-178.7	-176.1	54.5	0	0	0	112.7	E696 V702 I703 K704 H722	E696-D700 WeakPolarHBondContact O-CB 3.5Å; E696-D700 PolarHBondContact O-N 2.81Å; D700-V702 VanDerWaalsContact C-N 3.35Å; D700-V702 PolarHBondContact O-N 3.16Å; D700-I703 PolarHBondContact O-N 2.96Å; D700-K704 VanDerWaalsContact CG-NZ 3.3Å; D700-K704 WeakPolarHBondContact O-CB 3.33Å; D700-K704 WeakPolarHBondContact O-CG 3.46Å; D700-K704 PolarHBondContact O-N 3.03Å; D700-K704 WeakPolarHBondContact OD1-CE 3.37Å; D700-K704 IonicContact OD1-NZ 2.73Å; D700-K704 PolarHBondContact OD1-NZ 2.97Å; D700-K704 VanDerWaalsContact OD1-NZ 3.17Å; D700-K704 WeakPolarHBondContact OD2-CE 3.22Å; D700-K704 IonicContact OD2-NZ 2.72Å; D700-K704 PolarHBondContact OD2-NZ 3.16Å; D700-H722 IonicContact OD2-CE1 3.98Å; D700-H722 PolarHBondContact OD2-CE1 3.44Å; D700-H722 IonicContact OD2-NE2 3.35Å; D700-H722 PolarHBondContact OD2-NE2 3.19Å
701	I	95.9	Very high	89.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-39.5	-179.8	-158.8	175.1	0	0	0	111.9	L654 A697 A698 K704 M705 L714 V719 H722 W724 I725	L654-I701 HydrophobicContact CD2-CG2 3.83Å; A697-I701 PolarHBondContact O-N 3.32Å; A698-I701 WeakPolarHBondContact O-CG2 3.37Å; I701-K704 PolarHBondContact O-N 3.17Å; I701-M705 HydrophobicContact CD1-SD 4.42Å; I701-M705 HydrophobicContact CG1-CG 4.36Å; I701-M705 HydrophobicContact CG1-SD 4.04Å; I701-M705 WeakPolarHBondContact O-CB 3.08Å; I701-M705 VanDerWaalsContact O-CG 3.25Å; I701-M705 WeakPolarHBondContact O-CG 3.47Å; I701-M705 PolarHBondContact O-N 3.3Å; I701-L714 HydrophobicContact CG1-CD1 4.22Å; I701-V719 HydrophobicContact CD1-CG1 4.13Å; I701-H722 HydrophobicContact CD1-CB 3.74Å; I701-H722 HydrophobicContact CG1-CB 4.26Å; I701-W724 HydrophobicContact CB-CB 4.38Å; I701-W724 HydrophobicContact CD1-CB 4.3Å; I701-W724 HydrophobicContact CD1-CE3 3.75Å; I701-W724 HydrophobicContact CG2-CB 4.21Å; I701-W724 HydrophobicContact CG2-CD2 3.88Å; I701-W724 HydrophobicContact CG2-CE3 3.84Å; I701-W724 HydrophobicContact CG2-CG 4.04Å; I701-W724 HydrophobicContact CG2-CZ3 4.5Å; I701-I725 HydrophobicContact CD1-CG1 4.02Å
702	V	95	Very high	89.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-45.5	179.8	168.8	0	0	0	0	110.9	L654 Y655 I658 W691 A698 K699 D700 K704 M705 L706	L654-V702 HydrophobicContact CD2-CG2 3.57Å; L654-V702 HydrophobicContact CG-CG2 3.67Å; Y655-V702 HydrophobicContact CD2-CG1 3.99Å; I658-V702 HydrophobicContact CD1-CG2 4.43Å; W691-V702 HydrophobicContact CH2-CB 4.29Å; W691-V702 HydrophobicContact CH2-CG1 4.04Å; W691-V702 HydrophobicContact CH2-CG2 3.98Å; W691-V702 HydrophobicContact CZ3-CG2 4.36Å; A698-V702 WeakPolarHBondContact O-CB 3.34Å; A698-V702 VanDerWaalsContact O-CG2 3.24Å; A698-V702 WeakPolarHBondContact O-CG2 3.42Å; A698-V702 PolarHBondContact O-N 2.72Å; K699-V702 PolarHBondContact O-N 3.21Å; D700-V702 VanDerWaalsContact C-N 3.35Å; D700-V702 PolarHBondContact O-N 3.16Å; V702-K704 VanDerWaalsContact C-N 3.32Å; V702-K704 PolarHBondContact O-N 3.05Å; V702-M705 PolarHBondContact O-N 2.64Å; V702-L706 HydrophobicContact CG1-CD1 4Å; V702-L706 WeakPolarHBondContact O-CB 3.28Å; V702-L706 PolarHBondContact O-N 2.83Å
703	I	93.1	Very high	89.5	Confident	76 Å²	76	48 Å²	48	39%	0.39	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-45.3	176.5	-65.2	162.3	0	0	0	110.5	I686 K699 D700 L706 H707	I686-I703 HydrophobicContact CD1-CD1 3.4Å; I686-I703 HydrophobicContact CD1-CG1 3.94Å; I686-I703 HydrophobicContact CG2-CG1 4.42Å; K699-I703 WeakPolarHBondContact O-CD1 3.32Å; K699-I703 WeakPolarHBondContact O-CG1 3.46Å; K699-I703 PolarHBondContact O-N 3.49Å; K699-I703 VanDerWaalsContact O-N 3.07Å; D700-I703 PolarHBondContact O-N 2.96Å; I703-L706 CarbonylContact O-C 3.58Å; I703-L706 PolarHBondContact O-N 2.79Å; I703-H707 PolarHBondContact O-N 3.32Å
704	K	94.1	Very high	89.8	Confident	78 Å²	78	46 Å²	46	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-70.5	-30.8	-178.3	-71.1	174.7	174.7	162.8	0	113.3	D700 I701 V702 R713 L714	D700-K704 VanDerWaalsContact CG-NZ 3.3Å; D700-K704 WeakPolarHBondContact O-CB 3.33Å; D700-K704 WeakPolarHBondContact O-CG 3.46Å; D700-K704 PolarHBondContact O-N 3.03Å; D700-K704 WeakPolarHBondContact OD1-CE 3.37Å; D700-K704 IonicContact OD1-NZ 2.73Å; D700-K704 PolarHBondContact OD1-NZ 2.97Å; D700-K704 VanDerWaalsContact OD1-NZ 3.17Å; D700-K704 WeakPolarHBondContact OD2-CE 3.22Å; D700-K704 IonicContact OD2-NZ 2.72Å; D700-K704 PolarHBondContact OD2-NZ 3.16Å; I701-K704 PolarHBondContact O-N 3.17Å; V702-K704 VanDerWaalsContact C-N 3.32Å; V702-K704 PolarHBondContact O-N 3.05Å; K704-R713 WeakPolarHBondContact O-CA 3.2Å; K704-R713 WeakPolarHBondContact O-CG 3.46Å; K704-L714 HydrophobicContact CB-CD1 3.57Å; K704-L714 HydrophobicContact CB-CD2 4.45Å; K704-L714 HydrophobicContact CB-CG 3.76Å; K704-L714 HydrophobicContact CD-CD1 4.27Å; K704-L714 HydrophobicContact CD-CD2 4.41Å; K704-L714 PolarHBondContact O-N 3.33Å
705	M	92.8	Very high	89.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-76.5	-31.4	173	-69.2	177.6	78.8	0	0	112.4	I647 L650 L654 I701 V702 R713 L714 V719	I647-M705 HydrophobicContact CG2-CB 4.19Å; I647-M705 HydrophobicContact CG2-CE 4.07Å; I647-M705 HydrophobicContact CG2-CG 4Å; L650-M705 HydrophobicContact CB-CE 3.46Å; L650-M705 VanDerWaalsContact CB-CE 3.46Å; L654-M705 HydrophobicContact CD2-SD 4.17Å; I701-M705 HydrophobicContact CD1-SD 4.42Å; I701-M705 HydrophobicContact CG1-CG 4.36Å; I701-M705 HydrophobicContact CG1-SD 4.04Å; I701-M705 WeakPolarHBondContact O-CB 3.08Å; I701-M705 VanDerWaalsContact O-CG 3.25Å; I701-M705 WeakPolarHBondContact O-CG 3.47Å; I701-M705 PolarHBondContact O-N 3.3Å; V702-M705 PolarHBondContact O-N 2.64Å; M705-R713 WeakPolarHBondContact O-CD 3.41Å; M705-R713 VanDerWaalsContact O-CG 3.31Å; M705-R713 WeakPolarHBondContact O-CG 3.47Å; M705-L714 HydrophobicContact CG-CD1 4.23Å; M705-V719 HydrophobicContact CE-CG1 4.4Å; M705-V719 HydrophobicContact CE-CG2 4.28Å; M705-V719 HydrophobicContact CG-CG2 4.14Å; M705-V719 HydrophobicContact SD-CG1 4.3Å; M705-V719 HydrophobicContact SD-CG2 4.29Å
706	L	89.4	Confident	89.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	20.6	177.4	-66	-179.6	0	0	0	113.3	W648 I652 V684 V702 I703 V708	W648-L706 HydrophobicContact CD2-CD2 4.03Å; W648-L706 HydrophobicContact CE3-CD2 4.22Å; W648-L706 HydrophobicContact CG-CD2 4.44Å; W648-L706 HydrophobicContact CZ2-CD2 4.46Å; W648-L706 VanDerWaalsContact CZ3-C 3.5Å; W648-L706 HydrophobicContact CZ3-CB 4.47Å; W648-L706 WeakPolarHBondContact CZ3-O 3.17Å; I652-L706 HydrophobicContact CD1-CD2 3.75Å; I652-L706 HydrophobicContact CG1-CD2 3.9Å; V684-L706 HydrophobicContact CG1-CD1 4.36Å; V684-L706 HydrophobicContact CG2-CD1 4.18Å; V702-L706 HydrophobicContact CG1-CD1 4Å; V702-L706 WeakPolarHBondContact O-CB 3.28Å; V702-L706 PolarHBondContact O-N 2.83Å; I703-L706 CarbonylContact O-C 3.58Å; I703-L706 PolarHBondContact O-N 2.79Å; L706-V708 PolarHBondContact O-N 3.17Å
707	H	87.1	Confident	90	Very high	56 Å²	56	43 Å²	43	26%	0.259	23%	0.225	S	C	.	.			trans	-64.2	129.3	176.5	-164.8	-79.1	0	0	0	110.2	W648 I703 D709 Q712 R713	W648-H707 WeakPolarHBondContact CZ3-O 3.42Å; I703-H707 PolarHBondContact O-N 3.32Å; H707-D709 WeakPolarHBondContact ND1-CB 3.47Å; H707-D709 PolarHBondContact ND1-N 2.93Å; H707-D709 VanDerWaalsContact ND1-N 3.13Å; H707-D709 PolarHBondContact ND1-O 3.31Å; H707-D709 VanDerWaalsContact ND1-O 3.1Å; H707-D709 PolarHBondContact O-N 3.5Å; H707-Q712 PolarHBondContact CE1-OE1 3.03Å; H707-Q712 PolarHBondContact NE2-OE1 2.92Å; H707-R713 HydrophobicContact CB-CB 4.4Å; H707-R713 VanDerWaalsContact O-CZ 3.31Å; H707-R713 PolarHBondContact O-NE 3.1Å; H707-R713 PolarHBondContact O-NH2 3.13Å
708	V	80.8	Confident	90.1	Very high	65 Å²	65	45.9 Å²	45.9	39%	0.394	23%	0.233	S	C	.	.	S	Bend	trans	-62.6	-43.3	-175.1	-179.1	0	0	0	0	111.3	L706 P710 R713	L706-V708 PolarHBondContact O-N 3.17Å; V708-P710 VanDerWaalsContact O-CD 3.27Å; V708-P710 WeakPolarHBondContact O-CD 3.05Å; V708-R713 PolarHBondContact O-NH2 2.8Å
709	D	76.4	Confident	90.2	Very high	57 Å²	57	45.9 Å²	45.9	31%	0.305	23%	0.233	S	C	.	.	S	Bend	trans	-72.6	115.9	172	-176.6	-3.4	0	0	0	110.3	H707 H711 Q712 R713	H707-D709 WeakPolarHBondContact ND1-CB 3.47Å; H707-D709 PolarHBondContact ND1-N 2.93Å; H707-D709 VanDerWaalsContact ND1-N 3.13Å; H707-D709 PolarHBondContact ND1-O 3.31Å; H707-D709 VanDerWaalsContact ND1-O 3.1Å; H707-D709 PolarHBondContact O-N 3.5Å; D709-H711 PolarHBondContact O-N 3.45Å; D709-H711 WeakPolarHBondContact OD1-CB 3.4Å; D709-H711 IonicContact OD1-CD2 3.09Å; D709-H711 PolarHBondContact OD1-CD2 3.38Å; D709-H711 IonicContact OD1-CG 2.73Å; D709-H711 PolarHBondContact OD1-N 3.45Å; D709-Q712 HydrophobicContact CB-CB 4.38Å; D709-Q712 HydrophobicContact CB-CG 4.36Å; D709-Q712 PolarHBondContact O-N 3.45Å; D709-Q712 PolarHBondContact OD2-NE2 3.45Å; D709-R713 PolarHBondContact O-N 2.99Å
710	P	78.6	Confident	90.3	Very high	28 Å²	28	46.3 Å²	46.3	18%	0.182	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.7	178.3	-21.3	33.2	0	0	0	114.2	Y641 A644 V708 R713	Y641-P710 HydrophobicContact CD2-CB 4.35Å; Y641-P710 HydrophobicContact CD2-CG 3.68Å; Y641-P710 HydrophobicContact CE2-CG 4.04Å; A644-P710 HydrophobicContact CB-CB 3.76Å; V708-P710 VanDerWaalsContact O-CD 3.27Å; V708-P710 WeakPolarHBondContact O-CD 3.05Å; P710-R713 WeakPolarHBondContact O-CB 3.43Å; P710-R713 PolarHBondContact O-N 2.78Å
711	H	79.6	Confident	90.4	Very high	140 Å²	140	52.7 Å²	52.7	65%	0.648	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.1	-178.1	-63.4	-63.6	0	0	0	113.5	D709	D709-H711 PolarHBondContact O-N 3.45Å; D709-H711 WeakPolarHBondContact OD1-CB 3.4Å; D709-H711 IonicContact OD1-CD2 3.09Å; D709-H711 PolarHBondContact OD1-CD2 3.38Å; D709-H711 IonicContact OD1-CG 2.73Å; D709-H711 PolarHBondContact OD1-N 3.45Å
712	Q	84.3	Confident	90.5	Very high	124 Å²	124	53.2 Å²	53.2	58%	0.579	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-9	174.8	-65.3	-179.8	55.2	0	0	111.9	H707 D709	H707-Q712 PolarHBondContact CE1-OE1 3.03Å; H707-Q712 PolarHBondContact NE2-OE1 2.92Å; D709-Q712 HydrophobicContact CB-CB 4.38Å; D709-Q712 HydrophobicContact CB-CG 4.36Å; D709-Q712 PolarHBondContact O-N 3.45Å; D709-Q712 PolarHBondContact OD2-NE2 3.45Å
713	R	89.1	Confident	90.5	Very high	17 Å²	17	56.2 Å²	56.2	6%	0.064	28%	0.278	C	S	.	.	S	Bend	trans	-70.5	145	176.3	-162.4	177.4	-61.1	143.3	7.5	110.1	A644 I647 K704 M705 H707 V708 D709 P710	A644-R713 VanDerWaalsContact O-CD 3.27Å; A644-R713 WeakPolarHBondContact O-CD 3.43Å; A644-R713 PolarHBondContact O-NH1 3.1Å; I647-R713 HydrophobicContact CG2-CG 4.17Å; K704-R713 WeakPolarHBondContact O-CA 3.2Å; K704-R713 WeakPolarHBondContact O-CG 3.46Å; M705-R713 WeakPolarHBondContact O-CD 3.41Å; M705-R713 VanDerWaalsContact O-CG 3.31Å; M705-R713 WeakPolarHBondContact O-CG 3.47Å; H707-R713 HydrophobicContact CB-CB 4.4Å; H707-R713 VanDerWaalsContact O-CZ 3.31Å; H707-R713 PolarHBondContact O-NE 3.1Å; H707-R713 PolarHBondContact O-NH2 3.13Å; V708-R713 PolarHBondContact O-NH2 2.8Å; D709-R713 PolarHBondContact O-N 2.99Å; P710-R713 WeakPolarHBondContact O-CB 3.43Å; P710-R713 PolarHBondContact O-N 2.78Å
714	L	93.1	Very high	90.6	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.126	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-59.7	146	175.5	-65.5	168.7	0	0	0	111.1	I647 I701 K704 M705 Q718 V719	I647-L714 WeakPolarHBondContact CG1-O 3.24Å; I647-L714 WeakPolarHBondContact CG2-O 3.22Å; I701-L714 HydrophobicContact CG1-CD1 4.22Å; K704-L714 HydrophobicContact CB-CD1 3.57Å; K704-L714 HydrophobicContact CB-CD2 4.45Å; K704-L714 HydrophobicContact CB-CG 3.76Å; K704-L714 HydrophobicContact CD-CD1 4.27Å; K704-L714 HydrophobicContact CD-CD2 4.41Å; K704-L714 PolarHBondContact O-N 3.33Å; M705-L714 HydrophobicContact CG-CD1 4.23Å; L714-Q718 HydrophobicContact CB-CB 4.25Å; L714-Q718 HydrophobicContact CD2-CB 3.78Å; L714-V719 HydrophobicContact CB-CG2 3.71Å; L714-V719 HydrophobicContact CD1-CG2 4.1Å
715	T	93.7	Very high	90.7	Very high	71 Å²	71	49.5 Å²	49.5	44%	0.436	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-86.6	162.1	164.1	65.9	0	0	0	0	110.5	Q718 V719	T715-Q718 WeakPolarHBondContact O-CA 3.41Å; T715-Q718 WeakPolarHBondContact O-CB 3.45Å; T715-Q718 PolarHBondContact O-N 3.33Å; T715-Q718 VanDerWaalsContact OG1-CG 3.29Å; T715-Q718 WeakPolarHBondContact OG1-CG 3.46Å; T715-Q718 PolarHBondContact OG1-OE1 3.4Å; T715-V719 WeakPolarHBondContact O-CG2 3.22Å; T715-V719 PolarHBondContact O-N 3.28Å
716	A	93.8	Very high	90.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-54.7	-43.9	179.1	0	0	0	0	0	113.3	V573 E574 I647 Q718 V719 L720	V573-A716 HydrophobicContact CG1-CB 4.12Å; E574-A716 HydrophobicContact CB-CB 3.74Å; E574-A716 HydrophobicContact CG-CB 4.37Å; I647-A716 HydrophobicContact CD1-CB 3.87Å; A716-Q718 VanDerWaalsContact C-N 3.3Å; A716-Q718 PolarHBondContact O-N 3.36Å; A716-V719 PolarHBondContact O-N 2.83Å; A716-L720 WeakPolarHBondContact O-CG 3.03Å; A716-L720 PolarHBondContact O-N 3.31Å; A716-L720 VanDerWaalsContact O-N 3.15Å
717	P	95.1	Very high	90.7	Very high	43 Å²	43	58.2 Å²	58.2	28%	0.279	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-33.9	173	-23.4	33	0	0	0	114.1	E574 R721	E574-P717 HydrophobicContact CG-CG 3.83Å; P717-R721 WeakPolarHBondContact O-CG 3.23Å; P717-R721 PolarHBondContact O-N 3.41Å
718	Q	96.2	Very high	90.6	Very high	91 Å²	91	59.3 Å²	59.3	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-72.8	-37.6	177.9	-69.8	172	-28	0	0	111.7	L714 T715 A716 L720 R721 H722	L714-Q718 HydrophobicContact CB-CB 4.25Å; L714-Q718 HydrophobicContact CD2-CB 3.78Å; T715-Q718 WeakPolarHBondContact O-CA 3.41Å; T715-Q718 WeakPolarHBondContact O-CB 3.45Å; T715-Q718 PolarHBondContact O-N 3.33Å; T715-Q718 VanDerWaalsContact OG1-CG 3.29Å; T715-Q718 WeakPolarHBondContact OG1-CG 3.46Å; T715-Q718 PolarHBondContact OG1-OE1 3.4Å; A716-Q718 VanDerWaalsContact C-N 3.3Å; A716-Q718 PolarHBondContact O-N 3.36Å; Q718-L720 VanDerWaalsContact C-N 3.32Å; Q718-L720 PolarHBondContact O-N 3.02Å; Q718-R721 PolarHBondContact O-N 2.93Å; Q718-H722 PolarHBondContact O-N 2.96Å
719	V	97	Very high	90.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-46	172.1	175.6	0	0	0	0	110.3	I566 S570 I647 I701 M705 L714 T715 A716 R721 H722 I725	I566-V719 HydrophobicContact CG2-CG1 4.37Å; S570-V719 WeakPolarHBondContact OG-CG1 3.43Å; I647-V719 HydrophobicContact CG2-CG2 4.24Å; I701-V719 HydrophobicContact CD1-CG1 4.13Å; M705-V719 HydrophobicContact CE-CG1 4.4Å; M705-V719 HydrophobicContact CE-CG2 4.28Å; M705-V719 HydrophobicContact CG-CG2 4.14Å; M705-V719 HydrophobicContact SD-CG1 4.3Å; M705-V719 HydrophobicContact SD-CG2 4.29Å; L714-V719 HydrophobicContact CB-CG2 3.71Å; L714-V719 HydrophobicContact CD1-CG2 4.1Å; T715-V719 WeakPolarHBondContact O-CG2 3.22Å; T715-V719 PolarHBondContact O-N 3.28Å; A716-V719 PolarHBondContact O-N 2.83Å; V719-R721 PolarHBondContact O-N 3.29Å; V719-H722 WeakPolarHBondContact O-CB 3.28Å; V719-H722 PolarHBondContact O-N 3.4Å; V719-H722 VanDerWaalsContact O-N 3.08Å; V719-I725 WeakPolarHBondContact O-CG1 3.32Å
720	L	96.4	Very high	91.2	Very high	36 Å²	36	68.9 Å²	68.9	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-20.6	-179.6	-68.3	173.6	0	0	0	114.6	K571 E574 A716 Q718	K571-L720 HydrophobicContact CG-CD1 4.14Å; K571-L720 HydrophobicContact CG-CD2 3.77Å; E574-L720 HydrophobicContact CB-CD1 3.92Å; E574-L720 HydrophobicContact CG-CD1 4.14Å; A716-L720 WeakPolarHBondContact O-CG 3.03Å; A716-L720 PolarHBondContact O-N 3.31Å; A716-L720 VanDerWaalsContact O-N 3.15Å; Q718-L720 VanDerWaalsContact C-N 3.32Å; Q718-L720 PolarHBondContact O-N 3.02Å
721	R	96.8	Very high	91.7	Very high	195 Å²	195	68.2 Å²	68.2	74%	0.736	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-3	175.7	-66.7	175.6	-168.4	163.6	5.3	113	P717 Q718 V719	P717-R721 WeakPolarHBondContact O-CG 3.23Å; P717-R721 PolarHBondContact O-N 3.41Å; Q718-R721 PolarHBondContact O-N 2.93Å; V719-R721 PolarHBondContact O-N 3.29Å
722	H	97.4	Very high	91.9	Very high	11 Å²	11	63 Å²	63	5%	0.051	31%	0.31	C	S	.	.	S	Bend	trans	-66.9	140.3	-177.3	-163.6	-89.4	0	0	0	110.7	D700 I701 Q718 V719 W724 I725 V726	D700-H722 IonicContact OD2-CE1 3.98Å; D700-H722 PolarHBondContact OD2-CE1 3.44Å; D700-H722 IonicContact OD2-NE2 3.35Å; D700-H722 PolarHBondContact OD2-NE2 3.19Å; I701-H722 HydrophobicContact CD1-CB 3.74Å; I701-H722 HydrophobicContact CG1-CB 4.26Å; Q718-H722 PolarHBondContact O-N 2.96Å; V719-H722 WeakPolarHBondContact O-CB 3.28Å; V719-H722 PolarHBondContact O-N 3.4Å; V719-H722 VanDerWaalsContact O-N 3.08Å; H722-W724 WeakPolarHBondContact ND1-CB 3.41Å; H722-W724 PolarHBondContact ND1-N 3.36Å; H722-W724 PolarHBondContact O-N 2.85Å; H722-W724 VanDerWaalsContact O-N 3.12Å; H722-I725 PolarHBondContact O-N 3.24Å; H722-V726 PolarHBondContact O-N 3.5Å; H722-V726 VanDerWaalsContact O-N 3.07Å
723	P	95.3	Very high	91.9	Very high	63 Å²	63	61.4 Å²	61.4	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-51.7	-38.7	179.7	-29.7	35.6	0	0	0	113.5	I725 V726 E727	P723-I725 PolarHBondContact O-N 3.15Å; P723-V726 PolarHBondContact O-N 3.27Å; P723-E727 WeakPolarHBondContact O-CB 3.38Å; P723-E727 PolarHBondContact O-N 3Å
724	W	96.1	Very high	91.7	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-26.7	176.4	-170.2	74.7	0	0	0	115.1	E559 A562 S563 I566 L654 I658 A697 A698 I701 H722 L731	E559-W724 HydrophobicContact CG-CZ2 4.23Å; E559-W724 PolarHBondContact OE1-NE1 3.13Å; A562-W724 HydrophobicContact CB-CH2 4.11Å; A562-W724 HydrophobicContact CB-CZ2 4.23Å; S563-W724 VanDerWaalsContact N-CH2 3.34Å; S563-W724 PolarHBondContact OG-O 3.33Å; I566-W724 HydrophobicContact CB-CZ3 4.08Å; I566-W724 HydrophobicContact CG1-CH2 4.49Å; I566-W724 HydrophobicContact CG1-CZ3 4.36Å; I566-W724 HydrophobicContact CG2-CZ3 4.25Å; L654-W724 HydrophobicContact CD1-CH2 3.37Å; L654-W724 HydrophobicContact CD1-CZ2 4.01Å; L654-W724 HydrophobicContact CD1-CZ3 4.03Å; L654-W724 HydrophobicContact CD2-CE3 4.5Å; L654-W724 HydrophobicContact CD2-CH2 4.03Å; L654-W724 HydrophobicContact CD2-CZ3 3.87Å; L654-W724 HydrophobicContact CG-CH2 4.35Å; I658-W724 HydrophobicContact CD1-CZ2 4.34Å; A697-W724 HydrophobicContact CB-CB 3.97Å; A697-W724 HydrophobicContact CB-CG 4.46Å; A698-W724 VanDerWaalsContact CA-CD1 3.44Å; A698-W724 VanDerWaalsContact N-CD1 3.28Å; I701-W724 HydrophobicContact CB-CB 4.38Å; I701-W724 HydrophobicContact CD1-CB 4.3Å; I701-W724 HydrophobicContact CD1-CE3 3.75Å; I701-W724 HydrophobicContact CG2-CB 4.21Å; I701-W724 HydrophobicContact CG2-CD2 3.88Å; I701-W724 HydrophobicContact CG2-CE3 3.84Å; I701-W724 HydrophobicContact CG2-CG 4.04Å; I701-W724 HydrophobicContact CG2-CZ3 4.5Å; H722-W724 WeakPolarHBondContact ND1-CB 3.41Å; H722-W724 PolarHBondContact ND1-N 3.36Å; H722-W724 PolarHBondContact O-N 2.85Å; H722-W724 VanDerWaalsContact O-N 3.12Å; W724-L731 HydrophobicContact CG-CD2 4.46Å
725	I	95	Very high	91.4	Very high	11 Å²	11	68.8 Å²	68.8	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-91.7	-41.1	176	-64.3	-65.6	0	0	0	111.1	I566 C567 I701 V719 H722 P723	I566-I725 HydrophobicContact CB-CD1 4.39Å; I566-I725 HydrophobicContact CG2-CD1 4.04Å; C567-I725 HydrophobicContact CB-CD1 4.21Å; C567-I725 HydrophobicContact CB-CG2 4.09Å; I701-I725 HydrophobicContact CD1-CG1 4.02Å; V719-I725 WeakPolarHBondContact O-CG1 3.32Å; H722-I725 PolarHBondContact O-N 3.24Å; P723-I725 PolarHBondContact O-N 3.15Å
726	V	92.8	Very high	91.1	Very high	96 Å²	96	65.9 Å²	65.9	58%	0.582	33%	0.326	S	S	*	.	H	α-helix	trans	-77.6	-38.6	-173.2	-179.1	0	0	0	0	111.7	H722 P723 K728	H722-V726 PolarHBondContact O-N 3.5Å; H722-V726 VanDerWaalsContact O-N 3.07Å; P723-V726 PolarHBondContact O-N 3.27Å; V726-K728 VanDerWaalsContact C-N 3.32Å; V726-K728 PolarHBondContact O-N 3.37Å
727	E	90.8	Very high	90.5	Very high	94 Å²	94	69 Å²	69	44%	0.439	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	36.1	-175.5	-58.6	175.5	-172.1	0	0	111.6	P723 E729 Q730	P723-E727 WeakPolarHBondContact O-CB 3.38Å; P723-E727 PolarHBondContact O-N 3Å; E727-E729 PolarHBondContact O-N 2.99Å; E727-Q730 HydrophobicContact CB-CG 4.5Å; E727-Q730 WeakPolarHBondContact O-CB 3.48Å; E727-Q730 PolarHBondContact O-N 3.49Å
728	K	84.9	Confident	89.5	Confident	78 Å²	78	69.9 Å²	69.9	34%	0.339	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59.4	-23.6	-171.6	68.7	178.7	-167	164.8	0	115.1	R560 D564 V726 Q730 L731	R560-K728 PolarHBondContact NE-O 2.98Å; D564-K728 WeakPolarHBondContact OD1-CD 3.24Å; D564-K728 IonicContact OD1-NZ 3.55Å; D564-K728 PolarHBondContact OD1-NZ 3.06Å; V726-K728 VanDerWaalsContact C-N 3.32Å; V726-K728 PolarHBondContact O-N 3.37Å; K728-Q730 PolarHBondContact O-N 2.81Å; K728-L731 HydrophobicContact CB-CD1 4.18Å; K728-L731 WeakPolarHBondContact O-CB 3.39Å; K728-L731 PolarHBondContact O-N 3.13Å
729	E	84	Confident	88.4	Confident	171 Å²	171	70.3 Å²	70.3	80%	0.799	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.7	176.6	-66	168.6	-175.2	0	0	112.2	R560 E727	R560-E729 PolarHBondContact NH2-O 3.49Å; E727-E729 PolarHBondContact O-N 2.99Å
730	Q	86.3	Confident	87.5	Confident	153 Å²	153	75.2 Å²	75.2	72%	0.715	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-89.9	-4.7	179.8	-55.3	-178.3	25.6	0	0	113	E727 K728	E727-Q730 HydrophobicContact CB-CG 4.5Å; E727-Q730 WeakPolarHBondContact O-CB 3.48Å; E727-Q730 PolarHBondContact O-N 3.49Å; K728-Q730 PolarHBondContact O-N 2.81Å
731	L	88.8	Confident	86.6	Confident	13 Å²	13	74.2 Å²	74.2	7%	0.068	38%	0.376	C	S	.	.	S	Bend	trans	-74.3	154.1	-178	-59.6	178	0	0	0	112.3	E559 R560 W724 K728	E559-L731 HydrophobicContact CG-CB 4.41Å; E559-L731 HydrophobicContact CG-CD1 4.47Å; R560-L731 HydrophobicContact CB-CB 4.46Å; R560-L731 PolarHBondContact NH2-O 3.29Å; W724-L731 HydrophobicContact CG-CD2 4.46Å; K728-L731 HydrophobicContact CB-CD1 4.18Å; K728-L731 WeakPolarHBondContact O-CB 3.39Å; K728-L731 PolarHBondContact O-N 3.13Å
732	S	83.3	Confident	85.8	Confident	30 Å²	30	71.6 Å²	71.6	21%	0.21	38%	0.375	C	S	.	.			trans	-66.7	128.8	-178.6	-175	0	0	0	0	111.9	E559 L693 K734	E559-S732 WeakPolarHBondContact OE2-CB 3.47Å; L693-S732 PolarHBondContact O-OG 3.42Å; S732-K734 VanDerWaalsContact C-N 3.25Å; S732-K734 WeakPolarHBondContact OG-CB 3.21Å; S732-K734 WeakPolarHBondContact OG-CG 3.38Å; S732-K734 PolarHBondContact OG-N 3.1Å
733	D	83.4	Confident	85	Confident	91 Å²	91	73.8 Å²	73.8	49%	0.487	39%	0.39	S	S	.	.			trans	-89.7	13.7	171.4	-70.8	-37.3	0	0	0	112.5	T558 R560	T558-D733 WeakPolarHBondContact CG2-O 3.23Å; R560-D733 VanDerWaalsContact CZ-CG 3.46Å; R560-D733 IonicContact CZ-OD1 2.95Å; R560-D733 IonicContact CZ-OD2 3.21Å; R560-D733 IonicContact NE-OD1 2.62Å; R560-D733 IonicContact NH1-OD1 2.79Å; R560-D733 PolarHBondContact NH1-OD1 3.06Å; R560-D733 IonicContact NH1-OD2 2.81Å; R560-D733 PolarHBondContact NH1-OD2 3.46Å; R560-D733 IonicContact NH2-OD1 3.24Å; R560-D733 PolarHBondContact NH2-OD1 3.14Å; R560-D733 IonicContact NH2-OD2 2.91Å; R560-D733 PolarHBondContact NH2-OD2 2.92Å
734	K	85.4	Confident	84.4	Confident	122 Å²	122	70.9 Å²	70.9	53%	0.53	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-72.9	135.5	177.6	-66.6	180	-177.9	175.2	0	110.2	S732	S732-K734 VanDerWaalsContact C-N 3.25Å; S732-K734 WeakPolarHBondContact OG-CB 3.21Å; S732-K734 WeakPolarHBondContact OG-CG 3.38Å; S732-K734 PolarHBondContact OG-N 3.1Å
735	P	87.1	Confident	83.6	Confident	74 Å²	74	73.7 Å²	73.7	48%	0.481	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-69.1	139.6	178	28.5	-34	0	0	0	111
736	L	87.3	Confident	82.8	Confident	11 Å²	11	74.1 Å²	74.1	6%	0.058	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-94	133.3	-179.7	-59.3	178.7	0	0	0	111	F557 N690 L693 V694	F557-L736 HydrophobicContact CD1-CD1 4.5Å; F557-L736 PolarHBondContact O-N 3.12Å; N690-L736 HydrophobicContact CB-CD2 4.15Å; L693-L736 HydrophobicContact CB-CD2 4.49Å; V694-L736 HydrophobicContact CG1-CD2 3.86Å
737	A	80.6	Confident	82.2	Confident	66 Å²	66	69.7 Å²	69.7	55%	0.545	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-77.1	156.8	-179.7	0	0	0	0	0	112.1	N690	N690-A737 PolarHBondContact ND2-N 2.79Å; N690-A737 PolarHBondContact ND2-O 2.98Å; N690-A737 PolarHBondContact OD1-N 2.69Å
738	R	74.3	Confident	81.8	Confident	60 Å²	60	65.3 Å²	65.3	23%	0.226	34%	0.343	C	S	.	.			trans	-142.6	159.7	-172.2	-71	-159.3	166.5	103.9	6.4	115.7	V551 F557 M657	V551-R738 PolarHBondContact O-NH1 3.42Å; F557-R738 VanDerWaalsContact CB-NH1 3.26Å; M657-R738 PolarHBondContact O-NH2 3.17Å
739	Q	73.8	Confident	81.5	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	36%	0.357	S	S	.	.			trans	-92.6	168	163.4	-61.8	-172.5	4.5	0	0	110.9	V744	Q739-V744 HydrophobicContact CB-CG2 3.96Å
740	D	78.4	Confident	81.1	Confident	103 Å²	103	61 Å²	61	55%	0.551	32%	0.324	S	S	*	.			trans	-57.5	136.3	176.6	179.4	72.2	0	0	0	112.2	L742 T743 V744	D740-L742 PolarHBondContact O-N 3.25Å; D740-L742 WeakPolarHBondContact OD2-CB 3.08Å; D740-L742 PolarHBondContact OD2-N 3.28Å; D740-T743 PolarHBondContact O-N 3.14Å; D740-V744 WeakPolarHBondContact O-CG2 3.29Å; D740-V744 PolarHBondContact O-N 3.16Å
741	A	77.6	Confident	80.6	Confident	16 Å²	16	53.7 Å²	53.7	13%	0.132	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-31	-173	0	0	0	0	0	113.2	L552 K745	L552-A741 HydrophobicContact CB-CB 3.99Å; L552-A741 HydrophobicContact CD1-CB 3.95Å; A741-K745 WeakPolarHBondContact O-CB 3.34Å; A741-K745 VanDerWaalsContact O-CG 3.27Å; A741-K745 WeakPolarHBondContact O-CG 3.44Å; A741-K745 PolarHBondContact O-N 2.92Å
742	L	79.3	Confident	79.9	Confident	140 Å²	140	54.1 Å²	54.1	73%	0.733	29%	0.291	S	S	*	.	H	α-helix	trans	-68.2	-44.8	-179.9	-166.1	72.9	0	0	0	110.8	D740 K745 G746	D740-L742 PolarHBondContact O-N 3.25Å; D740-L742 WeakPolarHBondContact OD2-CB 3.08Å; D740-L742 PolarHBondContact OD2-N 3.28Å; L742-K745 PolarHBondContact O-N 3.21Å; L742-G746 PolarHBondContact O-N 3.19Å
743	T	81.1	Confident	79.3	Confident	57 Å²	57	54.4 Å²	54.4	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-47.6	178.8	-55.8	0	0	0	0	111.2	D740 K745 G746 A747	D740-T743 PolarHBondContact O-N 3.14Å; T743-K745 PolarHBondContact O-N 3.04Å; T743-G746 PolarHBondContact O-N 2.98Å; T743-A747 WeakPolarHBondContact O-CB 2.94Å; T743-A747 PolarHBondContact O-N 3.33Å
744	V	81.9	Confident	78.6	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-45.7	179.8	178.8	0	0	0	0	111	L552 T656 G660 Q739 D740 L748	L552-V744 HydrophobicContact CD1-CB 3.98Å; L552-V744 HydrophobicContact CD1-CG1 3.95Å; L552-V744 HydrophobicContact CD2-CG1 4.37Å; T656-V744 HydrophobicContact CG2-CG1 3.43Å; T656-V744 VanDerWaalsContact CG2-CG1 3.43Å; G660-V744 WeakPolarHBondContact O-CG2 3.4Å; Q739-V744 HydrophobicContact CB-CG2 3.96Å; D740-V744 WeakPolarHBondContact O-CG2 3.29Å; D740-V744 PolarHBondContact O-N 3.16Å; V744-L748 WeakPolarHBondContact O-CB 3.41Å; V744-L748 PolarHBondContact O-N 3.16Å
745	K	80.1	Confident	77.7	Confident	59 Å²	59	47 Å²	47	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-64.6	-40.6	178.2	-76.1	-174.7	118.4	-170.5	0	112.4	E546 L548 D549 A741 L742 T743 L748 F749	E546-K745 IonicContact OE2-NZ 3.7Å; E546-K745 PolarHBondContact OE2-NZ 3.32Å; L548-K745 HydrophobicContact CD2-CG 4.17Å; D549-K745 WeakPolarHBondContact OD1-CD 3.38Å; D549-K745 WeakPolarHBondContact OD1-CE 3.14Å; D549-K745 IonicContact OD1-NZ 2.93Å; D549-K745 PolarHBondContact OD1-NZ 3.06Å; D549-K745 IonicContact OD2-NZ 3.22Å; D549-K745 PolarHBondContact OD2-NZ 3.33Å; A741-K745 WeakPolarHBondContact O-CB 3.34Å; A741-K745 VanDerWaalsContact O-CG 3.27Å; A741-K745 WeakPolarHBondContact O-CG 3.44Å; A741-K745 PolarHBondContact O-N 2.92Å; L742-K745 PolarHBondContact O-N 3.21Å; T743-K745 PolarHBondContact O-N 3.04Å; K745-L748 PolarHBondContact O-N 2.82Å; K745-F749 WeakPolarHBondContact O-CB 3.43Å; K745-F749 PolarHBondContact O-N 3.08Å
746	G	77.4	Confident	76.6	Confident	20 Å²	20	49.1 Å²	49.1	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-45.1	178.2	0	0	0	0	0	112.6	L742 T743 L748 F749 A750	L742-G746 PolarHBondContact O-N 3.19Å; T743-G746 PolarHBondContact O-N 2.98Å; G746-L748 VanDerWaalsContact C-N 3.34Å; G746-L748 PolarHBondContact O-N 3.04Å; G746-F749 PolarHBondContact O-N 3.24Å; G746-A750 PolarHBondContact O-N 3.28Å
747	A	81.1	Confident	75.2	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-42.2	174.9	0	0	0	0	0	111.6	A665 T743 F749 A750 T751	A665-A747 HydrophobicContact CB-CB 4.03Å; A665-A747 VanDerWaalsContact CB-O 3.3Å; A665-A747 WeakPolarHBondContact CB-O 3.47Å; T743-A747 WeakPolarHBondContact O-CB 2.94Å; T743-A747 PolarHBondContact O-N 3.33Å; A747-F749 PolarHBondContact O-N 3.2Å; A747-A750 WeakPolarHBondContact O-CB 3.32Å; A747-A750 PolarHBondContact O-N 2.82Å; A747-T751 PolarHBondContact O-N 3.41Å; A747-T751 PolarHBondContact O-OG1 3Å; A747-T751 VanDerWaalsContact O-OG1 3.12Å
748	L	81	Confident	73.5	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-38.9	177.7	-172.2	56.9	0	0	0	112.3	L548 P588 I652 T656 V744 K745 G746 A750 T751 Y752	L548-L748 HydrophobicContact CD2-CD2 3.58Å; P588-L748 HydrophobicContact CG-CD2 3.42Å; P588-L748 VanDerWaalsContact CG-CD2 3.42Å; P588-L748 HydrophobicContact CG-CG 4.35Å; I652-L748 HydrophobicContact CG2-CD1 3.4Å; I652-L748 VanDerWaalsContact CG2-CD1 3.4Å; T656-L748 HydrophobicContact CG2-CD2 4.29Å; V744-L748 WeakPolarHBondContact O-CB 3.41Å; V744-L748 PolarHBondContact O-N 3.16Å; K745-L748 PolarHBondContact O-N 2.82Å; G746-L748 VanDerWaalsContact C-N 3.34Å; G746-L748 PolarHBondContact O-N 3.04Å; L748-A750 VanDerWaalsContact C-N 3.32Å; L748-A750 PolarHBondContact O-N 3.19Å; L748-T751 WeakPolarHBondContact O-CB 3.23Å; L748-T751 PolarHBondContact O-N 2.91Å; L748-Y752 HydrophobicContact CD1-CD2 4Å; L748-Y752 HydrophobicContact CD1-CE2 3.54Å; L748-Y752 HydrophobicContact CD2-CE2 4.29Å; L748-Y752 HydrophobicContact CG-CD2 3.96Å; L748-Y752 HydrophobicContact CG-CE2 3.68Å; L748-Y752 VanDerWaalsContact O-CD2 3.22Å; L748-Y752 WeakPolarHBondContact O-CD2 3.21Å; L748-Y752 PolarHBondContact O-N 2.71Å
749	F	78.9	Confident	71.6	Confident	145 Å²	145	59.1 Å²	59.1	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-61.3	-40.5	172.3	179.6	-93.7	0	0	0	111.9	K745 G746 A747 T751 Y752 S753	K745-F749 WeakPolarHBondContact O-CB 3.43Å; K745-F749 PolarHBondContact O-N 3.08Å; G746-F749 PolarHBondContact O-N 3.24Å; A747-F749 PolarHBondContact O-N 3.2Å; F749-T751 VanDerWaalsContact C-N 3.34Å; F749-Y752 PolarHBondContact O-N 3.31Å; F749-S753 WeakPolarHBondContact CE1-OG 3.37Å; F749-S753 VanDerWaalsContact O-CB 3.26Å; F749-S753 WeakPolarHBondContact O-CB 3.37Å; F749-S753 PolarHBondContact O-N 2.95Å; F749-S753 PolarHBondContact O-OG 3.49Å
750	A	76.5	Confident	69.7	Low	13 Å²	13	60.1 Å²	60.1	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-42.8	173.5	0	0	0	0	0	111.2	I675 G746 A747 L748 S753 A754	I675-A750 HydrophobicContact CD1-CB 3.91Å; G746-A750 PolarHBondContact O-N 3.28Å; A747-A750 WeakPolarHBondContact O-CB 3.32Å; A747-A750 PolarHBondContact O-N 2.82Å; L748-A750 VanDerWaalsContact C-N 3.32Å; L748-A750 PolarHBondContact O-N 3.19Å; A750-S753 PolarHBondContact O-N 2.81Å; A750-A754 WeakPolarHBondContact O-CB 3.4Å; A750-A754 PolarHBondContact O-N 3.15Å
751	T	76	Confident	67.6	Low	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-51.2	175.1	-51.3	0	0	0	0	112.8	S662 F664 A665 I675 A747 L748 F749 S753 A754 L755	S662-T751 PolarHBondContact OG-OG1 2.91Å; F664-T751 HydrophobicContact CB-CG2 4.24Å; F664-T751 HydrophobicContact CD2-CG2 4.24Å; A665-T751 WeakPolarHBondContact CB-OG1 3.19Å; I675-T751 HydrophobicContact CG2-CG2 4.25Å; A747-T751 PolarHBondContact O-N 3.41Å; A747-T751 PolarHBondContact O-OG1 3Å; A747-T751 VanDerWaalsContact O-OG1 3.12Å; L748-T751 WeakPolarHBondContact O-CB 3.23Å; L748-T751 PolarHBondContact O-N 2.91Å; F749-T751 VanDerWaalsContact C-N 3.34Å; T751-S753 VanDerWaalsContact C-N 3.29Å; T751-S753 PolarHBondContact O-N 2.97Å; T751-A754 PolarHBondContact O-N 3.21Å; T751-L755 HydrophobicContact CG2-CD1 4.49Å; T751-L755 WeakPolarHBondContact O-CG 3.39Å; T751-L755 PolarHBondContact O-N 3.42Å; T751-L755 VanDerWaalsContact O-N 3.11Å
752	Y	73.4	Confident	65.4	Low	22 Å²	22	62.7 Å²	62.7	9%	0.086	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-32.6	177.8	-77.2	-72.1	0	0	0	112.5	L586 K587 P588 S649 I652 L748 F749 K756	L586-Y752 WeakPolarHBondContact O-CE1 3.18Å; K587-Y752 HydrophobicContact CB-CD1 4.11Å; K587-Y752 HydrophobicContact CB-CD2 4.24Å; K587-Y752 HydrophobicContact CB-CE1 3.88Å; K587-Y752 HydrophobicContact CB-CE2 4.03Å; K587-Y752 HydrophobicContact CB-CG 4.3Å; P588-Y752 HydrophobicContact CG-CE2 4.38Å; S649-Y752 PolarHBondContact O-OH 3.31Å; I652-Y752 HydrophobicContact CG2-CE2 4.33Å; L748-Y752 HydrophobicContact CD1-CD2 4Å; L748-Y752 HydrophobicContact CD1-CE2 3.54Å; L748-Y752 HydrophobicContact CD2-CE2 4.29Å; L748-Y752 HydrophobicContact CG-CD2 3.96Å; L748-Y752 HydrophobicContact CG-CE2 3.68Å; L748-Y752 VanDerWaalsContact O-CD2 3.22Å; L748-Y752 WeakPolarHBondContact O-CD2 3.21Å; L748-Y752 PolarHBondContact O-N 2.71Å; F749-Y752 PolarHBondContact O-N 3.31Å; Y752-K756 WeakPolarHBondContact O-CG 3.38Å; Y752-K756 PolarHBondContact O-N 3.06Å
753	S	70.6	Confident	63.2	Low	36 Å²	36	62.4 Å²	62.4	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-70.3	-39.7	176.7	-63.8	0	0	0	0	112.3	F749 A750 T751 K756 R757	F749-S753 WeakPolarHBondContact CE1-OG 3.37Å; F749-S753 VanDerWaalsContact O-CB 3.26Å; F749-S753 WeakPolarHBondContact O-CB 3.37Å; F749-S753 PolarHBondContact O-N 2.95Å; F749-S753 PolarHBondContact O-OG 3.49Å; A750-S753 PolarHBondContact O-N 2.81Å; T751-S753 VanDerWaalsContact C-N 3.29Å; T751-S753 PolarHBondContact O-N 2.97Å; S753-K756 PolarHBondContact O-N 2.92Å; S753-R757 PolarHBondContact O-N 3.41Å
754	A	68.3	Low	61	Low	1 Å²	1	66.9 Å²	66.9	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-43.8	174.9	0	0	0	0	0	111.4	A672 I675 L676 A750 T751 K756 R757	A672-A754 HydrophobicContact CB-CB 3.86Å; I675-A754 HydrophobicContact CB-CB 4.1Å; I675-A754 HydrophobicContact CD1-CB 4.3Å; I675-A754 HydrophobicContact CG2-CB 3.9Å; L676-A754 HydrophobicContact CG-CB 4.39Å; A750-A754 WeakPolarHBondContact O-CB 3.4Å; A750-A754 PolarHBondContact O-N 3.15Å; T751-A754 PolarHBondContact O-N 3.21Å; A754-K756 VanDerWaalsContact C-N 3.27Å; A754-K756 PolarHBondContact O-N 2.64Å; A754-R757 PolarHBondContact O-N 2.99Å; A754-R757 VanDerWaalsContact O-N 3.07Å
755	L	67.4	Low	58.7	Low	56 Å²	56	73.3 Å²	73.3	29%	0.293	41%	0.409	S	S	.	.	H	α-helix	trans	-59	-36.1	175.6	-75.3	169.9	0	0	0	112.8	I679 T751 R757 C758	I679-L755 HydrophobicContact CD1-CD2 3.83Å; I679-L755 HydrophobicContact CD1-CG 4.15Å; T751-L755 HydrophobicContact CG2-CD1 4.49Å; T751-L755 WeakPolarHBondContact O-CG 3.39Å; T751-L755 PolarHBondContact O-N 3.42Å; T751-L755 VanDerWaalsContact O-N 3.11Å; L755-R757 VanDerWaalsContact C-N 3.29Å; L755-R757 PolarHBondContact O-N 3.18Å; L755-C758 PolarHBondContact O-N 3.08Å
756	K	63.2	Low	56.6	Low	119 Å²	119	75 Å²	75	52%	0.517	43%	0.425	S	S	.	.	H	α-helix	trans	-70.9	-19.8	176.9	-73.7	-176.1	-176	-163.9	0	114.3	D585 Y752 S753 A754	D585-K756 VanDerWaalsContact OD1-CE 3.31Å; D585-K756 WeakPolarHBondContact OD1-CE 3.3Å; D585-K756 IonicContact OD1-NZ 3.17Å; D585-K756 PolarHBondContact OD1-NZ 3.05Å; D585-K756 IonicContact OD2-NZ 2.78Å; Y752-K756 WeakPolarHBondContact O-CG 3.38Å; Y752-K756 PolarHBondContact O-N 3.06Å; S753-K756 PolarHBondContact O-N 2.92Å; A754-K756 VanDerWaalsContact C-N 3.27Å; A754-K756 PolarHBondContact O-N 2.64Å
757	R	58.3	Low	54.7	Low	182 Å²	182	77.5 Å²	77.5	69%	0.687	44%	0.437	S	S	*	.	H	α-helix	trans	-82.9	-13.9	177.8	-70.1	-178.5	179.8	178.8	1.6	113	S753 A754 L755 A759	S753-R757 PolarHBondContact O-N 3.41Å; A754-R757 PolarHBondContact O-N 2.99Å; A754-R757 VanDerWaalsContact O-N 3.07Å; L755-R757 VanDerWaalsContact C-N 3.29Å; L755-R757 PolarHBondContact O-N 3.18Å; R757-A759 PolarHBondContact O-N 3.44Å
758	C	44.2	Very low	52.6	Low	83 Å²	83	85 Å²	85	56%	0.561	47%	0.471	S	S	*	.	S	Bend	trans	-79	105.9	-178.3	-147	0	0	0	0	110.6	L676 L755	L676-C758 HydrophobicContact CD2-CB 4.4Å; L755-C758 PolarHBondContact O-N 3.08Å
759	A	35.9	Very low	50.4	Low	81 Å²	81	87 Å²	87	67%	0.669	49%	0.486	S	S	*	.			trans	58.9	104.6	178.4	0	0	0	0	0	116.2	R757 A761	R757-A759 PolarHBondContact O-N 3.44Å; A759-A761 PolarHBondContact O-N 3.42Å
760	P	33.3	Very low	48.5	Very low	122 Å²	122	81.8 Å²	81.8	79%	0.792	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-60.9	126.2	162.3	26.1	-30.3	0	0	0	108.1
761	A	34.9	Very low	46.5	Very low	60 Å²	60	84.5 Å²	84.5	50%	0.496	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-55.2	141.8	158.6	0	0	0	0	0	107.6	A759 V763	A759-A761 PolarHBondContact O-N 3.42Å; A761-V763 PolarHBondContact O-N 3.23Å
762	P	31.3	Very low	44.7	Very low	112 Å²	112	86.5 Å²	86.5	73%	0.727	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-52.2	124.5	167.7	20.7	-29.4	0	0	0	107.6	L764	P762-L764 PolarHBondContact O-N 3.01Å
763	V	33	Very low	43.1	Very low	134 Å²	134	87.2 Å²	87.2	81%	0.812	51%	0.506	S	S	*	.			trans	-65.8	101.9	178.9	178.8	0	0	0	0	106.5	A761 E765	A761-V763 PolarHBondContact O-N 3.23Å; V763-E765 PolarHBondContact O-N 3.46Å
764	L	34.4	Very low	41.8	Very low	151 Å²	151	90.6 Å²	90.6	79%	0.791	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-73.5	117.1	168.3	-67.8	172.9	0	0	0	106.7	P762	P762-L764 PolarHBondContact O-N 3.01Å
765	E	32.5	Very low	40.6	Very low	137 Å²	137	99 Å²	99	64%	0.64	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-66.9	157.3	175.7	-67.4	-148.2	163.8	0	0	111.8	V763 V767 S769	V763-E765 PolarHBondContact O-N 3.46Å; E765-V767 PolarHBondContact O-N 2.96Å; E765-S769 WeakPolarHBondContact CB-OG 3.49Å; E765-S769 VanDerWaalsContact OE2-CB 3.29Å; E765-S769 WeakPolarHBondContact OE2-CB 3.35Å; E765-S769 PolarHBondContact OE2-OG 2.75Å
766	P	37.2	Very low	39.6	Very low	94 Å²	94	100 Å²	100	61%	0.61	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-52.4	139.8	175.4	-24.8	33.8	0	0	0	111.7	Q768 S769	P766-Q768 PolarHBondContact O-N 3.39Å; P766-S769 PolarHBondContact O-N 3.4Å; P766-S769 PolarHBondContact O-OG 2.79Å
767	V	36.6	Very low	38.6	Very low	74 Å²	74	96 Å²	96	45%	0.448	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-47.4	-31.7	-179.5	175.6	0	0	0	0	113.1	S201 E765 S769 S770 A773	S201-V767 WeakPolarHBondContact O-CG1 3.38Å; S201-V767 WeakPolarHBondContact O-CG2 3.46Å; E765-V767 PolarHBondContact O-N 2.96Å; V767-S769 VanDerWaalsContact C-N 3.3Å; V767-S769 PolarHBondContact O-N 2.99Å; V767-S770 WeakPolarHBondContact O-CB 3.42Å; V767-S770 PolarHBondContact O-N 3.43Å; V767-A773 WeakPolarHBondContact O-CB 3.27Å
768	Q	37.9	Very low	37.4	Very low	159 Å²	159	93.6 Å²	93.6	74%	0.743	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.9	179.6	-64	169.1	-7	0	0	114.2	P766 S770 Q774	P766-Q768 PolarHBondContact O-N 3.39Å; Q768-S770 VanDerWaalsContact C-N 3.29Å; Q768-Q774 VanDerWaalsContact O-CG 3.32Å; Q768-Q774 WeakPolarHBondContact O-CG 3.24Å
769	S	33.8	Very low	37.3	Very low	46 Å²	46	97.1 Å²	97.1	32%	0.322	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-82.1	-7.8	174.8	71.3	0	0	0	0	112.9	E765 P766 V767 S771	E765-S769 WeakPolarHBondContact CB-OG 3.49Å; E765-S769 VanDerWaalsContact OE2-CB 3.29Å; E765-S769 WeakPolarHBondContact OE2-CB 3.35Å; E765-S769 PolarHBondContact OE2-OG 2.75Å; P766-S769 PolarHBondContact O-N 3.4Å; P766-S769 PolarHBondContact O-OG 2.79Å; V767-S769 VanDerWaalsContact C-N 3.3Å; V767-S769 PolarHBondContact O-N 2.99Å; S769-S771 PolarHBondContact O-N 3.27Å
770	S	40	Very low	37.4	Very low	36 Å²	36	99.3 Å²	99.3	25%	0.252	54%	0.54	S	S	.	.	S	Bend	trans	-63.5	131.3	171.3	175.9	0	0	0	0	111.3	V767 Q768 L772 A773 Q774	V767-S770 WeakPolarHBondContact O-CB 3.42Å; V767-S770 PolarHBondContact O-N 3.43Å; Q768-S770 VanDerWaalsContact C-N 3.29Å; S770-L772 PolarHBondContact O-N 3.45Å; S770-L772 PolarHBondContact OG-N 3.36Å; S770-A773 PolarHBondContact O-N 3.15Å; S770-Q774 WeakPolarHBondContact O-CG 3.46Å; S770-Q774 PolarHBondContact O-N 3.33Å
771	S	33.8	Very low	37.4	Very low	69 Å²	69	98.8 Å²	98.8	48%	0.483	53%	0.53	S	S	.	.	H	α-helix	trans	-53.2	-24.2	177.6	64.4	0	0	0	0	114.1	S769 R775	S769-S771 PolarHBondContact O-N 3.27Å; S771-R775 VanDerWaalsContact O-CG 3.24Å; S771-R775 WeakPolarHBondContact O-CG 3.41Å; S771-R775 PolarHBondContact O-N 3.16Å
772	L	38.8	Very low	37	Very low	43 Å²	43	98.9 Å²	98.9	23%	0.225	54%	0.537	C	S	.	.	H	α-helix	trans	-85.2	-37.5	177.9	-147.4	122.7	0	0	0	112.7	Y626 S770 Q774 R775 R776	Y626-L772 HydrophobicContact CE1-CD1 4.31Å; Y626-L772 VanDerWaalsContact OH-CB 3.25Å; Y626-L772 WeakPolarHBondContact OH-CB 3.27Å; Y626-L772 WeakPolarHBondContact OH-CD1 3.43Å; Y626-L772 WeakPolarHBondContact OH-CD2 3.37Å; Y626-L772 WeakPolarHBondContact OH-CG 3.32Å; S770-L772 PolarHBondContact O-N 3.45Å; S770-L772 PolarHBondContact OG-N 3.36Å; L772-Q774 VanDerWaalsContact C-N 3.35Å; L772-R775 PolarHBondContact O-N 3.46Å; L772-R776 PolarHBondContact O-N 2.94Å
773	A	40.3	Very low	37.1	Very low	37 Å²	37	98.5 Å²	98.5	31%	0.306	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-41	172	0	0	0	0	0	110.9	V767 S770 R776 G777	V767-A773 WeakPolarHBondContact O-CB 3.27Å; S770-A773 PolarHBondContact O-N 3.15Å; A773-R776 PolarHBondContact O-N 3.22Å; A773-G777 PolarHBondContact O-N 2.93Å
774	Q	42.2	Very low	37	Very low	106 Å²	106	97.1 Å²	97.1	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-61.5	-44.8	174.2	-68.1	179.2	-12.8	0	0	112.1	Q768 S770 L772 M778	Q768-Q774 VanDerWaalsContact O-CG 3.32Å; Q768-Q774 WeakPolarHBondContact O-CG 3.24Å; S770-Q774 WeakPolarHBondContact O-CG 3.46Å; S770-Q774 PolarHBondContact O-N 3.33Å; L772-Q774 VanDerWaalsContact C-N 3.35Å; Q774-M778 WeakPolarHBondContact O-CB 3.5Å; Q774-M778 VanDerWaalsContact O-CG 3.22Å; Q774-M778 WeakPolarHBondContact O-CG 3.37Å; Q774-M778 PolarHBondContact O-N 3.24Å
775	R	43.8	Very low	36.8	Very low	179 Å²	179	94.5 Å²	94.5	68%	0.675	53%	0.527	S	S	*	.	H	α-helix	trans	-70.4	-31.1	179.2	-74.3	177.3	-158.2	-169.7	6.8	113.8	S771 L772 K779	S771-R775 VanDerWaalsContact O-CG 3.24Å; S771-R775 WeakPolarHBondContact O-CG 3.41Å; S771-R775 PolarHBondContact O-N 3.16Å; L772-R775 PolarHBondContact O-N 3.46Å; R775-K779 PolarHBondContact O-N 3.36Å
776	R	47	Very low	36.6	Very low	76 Å²	76	95.1 Å²	95.1	29%	0.287	54%	0.54	S	S	.	.	H	α-helix	trans	-79.7	-36.6	176.3	-73	-176.9	171.5	171.7	-9.4	111.8	F197 E301 L772 A773 M778 K779 K780	F197-R776 VanDerWaalsContact CE2-NH1 3.25Å; E301-R776 IonicContact OE1-NH1 3.22Å; E301-R776 IonicContact OE1-NH2 2.82Å; L772-R776 PolarHBondContact O-N 2.94Å; A773-R776 PolarHBondContact O-N 3.22Å; R776-M778 VanDerWaalsContact C-N 3.33Å; R776-M778 PolarHBondContact O-N 3.42Å; R776-K779 PolarHBondContact O-N 2.85Å; R776-K780 PolarHBondContact O-N 3.24Å
777	G	41.1	Very low	36.1	Very low	34 Å²	34	96.6 Å²	96.6	35%	0.351	55%	0.548	S	S	.	.	H	α-helix	trans	-60.7	-40.2	168.2	0	0	0	0	0	112.6	A773 K779 K780 L781	A773-G777 PolarHBondContact O-N 2.93Å; G777-K779 VanDerWaalsContact C-N 3.31Å; G777-K779 PolarHBondContact O-N 3.09Å; G777-K780 WeakPolarHBondContact O-CB 3.34Å; G777-K780 PolarHBondContact O-N 2.83Å; G777-K780 VanDerWaalsContact O-N 3.15Å; G777-L781 PolarHBondContact O-N 2.99Å
778	M	34.4	Very low	35.7	Very low	133 Å²	133	98.6 Å²	98.6	66%	0.655	57%	0.565	S	S	*	*	H	α-helix	trans	-64.1	-29.9	173.9	-76.6	172.8	151.4	0	0	113.8	Q774 R776 L781 G782	Q774-M778 WeakPolarHBondContact O-CB 3.5Å; Q774-M778 VanDerWaalsContact O-CG 3.22Å; Q774-M778 WeakPolarHBondContact O-CG 3.37Å; Q774-M778 PolarHBondContact O-N 3.24Å; R776-M778 VanDerWaalsContact C-N 3.33Å; R776-M778 PolarHBondContact O-N 3.42Å; M778-L781 PolarHBondContact O-N 3.06Å; M778-G782 PolarHBondContact O-N 2.88Å
779	K	40.1	Very low	35.1	Very low	157 Å²	157	99.5 Å²	99.5	68%	0.683	57%	0.569	S	S	*	*	H	α-helix	trans	-71	-26.2	173.8	-90.1	-175.3	178.7	177.2	0	113.2	R775 R776 G777 L781	R775-K779 PolarHBondContact O-N 3.36Å; R776-K779 PolarHBondContact O-N 2.85Å; G777-K779 VanDerWaalsContact C-N 3.31Å; G777-K779 PolarHBondContact O-N 3.09Å; K779-L781 VanDerWaalsContact C-N 3.33Å
780	K	39.4	Very low	34.9	Very low	126 Å²	126	103 Å²	103	55%	0.548	59%	0.59	S	S	.	*	H	α-helix	trans	-67.9	-33.4	169	-90.6	179.1	171.1	176.5	0	111.6	D399 R776 G777	D399-K780 IonicContact OD2-NZ 3.58Å; D399-K780 PolarHBondContact OD2-NZ 3.36Å; R776-K780 PolarHBondContact O-N 3.24Å; G777-K780 WeakPolarHBondContact O-CB 3.34Å; G777-K780 PolarHBondContact O-N 2.83Å; G777-K780 VanDerWaalsContact O-N 3.15Å
781	L	32	Very low	34.5	Very low	112 Å²	112	111 Å²	111	59%	0.586	62%	0.621	S	S	*	*	H	α-helix	trans	-87.4	-24.3	-178.3	-74.1	154.3	0	0	0	114.1	G777 M778 K779 S784	G777-L781 PolarHBondContact O-N 2.99Å; M778-L781 PolarHBondContact O-N 3.06Å; K779-L781 VanDerWaalsContact C-N 3.33Å; L781-S784 PolarHBondContact O-OG 3.48Å
782	G	28	Very low	34.2	Very low	61 Å²	61	116.9 Å²	116.9	63%	0.629	64%	0.641	S	S	*	*	S	Bend	trans	-89.4	7.8	-165.5	0	0	0	0	0	118.6	M778	M778-G782 PolarHBondContact O-N 2.88Å
783	S	32.3	Very low	33.9	Very low	104 Å²	104	124.6 Å²	124.6	73%	0.727	67%	0.672	S	S	*	*	S	Bend	trans	-100.9	23.2	178.9	84.8	0	0	0	0	114.5
784	S	32.6	Very low	33.4	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	72%	0.718	S	S	*	*	S	Bend	trans	-111	4	-173.2	52.4	0	0	0	0	115.6	L781	L781-S784 PolarHBondContact O-OG 3.48Å
785	S	30	Very low	32.9	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	73%	0.729	S	S	*	*			trans	-143.7	93.6	174	52.2	0	0	0	0	112.8
786	V	26.6	Very low	32.4	Very low	150 Å²	150	135.1 Å²	135.1	91%	0.909	73%	0.732	S	S	*	*			trans	-114.1	86.6	150.6	-176.5	0	0	0	0	105.7	S788	V786-S788 PolarHBondContact O-N 2.79Å
787	T	26.6	Very low	31.5	Very low	126 Å²	126	138.3 Å²	138.3	77%	0.773	76%	0.757	S	S	*	*			trans	-64.2	123.6	161.2	30.1	0	0	0	0	107.8	E789	T787-E789 PolarHBondContact O-N 2.81Å
788	S	28.5	Very low	31	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	78%	0.781	S	S	*	*			trans	-70.3	109.8	169.7	48.7	0	0	0	0	109.4	V786	V786-S788 PolarHBondContact O-N 2.79Å
789	E	25.4	Very low	30.8	Very low	178 Å²	178	145.2 Å²	145.2	83%	0.832	79%	0.789	S	S	*	*			trans	-88.6	139.9	156	-81.5	-176	165.1	0	0	109.6	T787	T787-E789 PolarHBondContact O-N 2.81Å
790	P	31	Very low	30.1	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	80%	0.796	S	S	*	*			trans	-76.7	139.1	-179.1	11.8	3.4	0	0	0	110.1	E792	P790-E792 PolarHBondContact O-N 3.19Å
791	K	29.8	Very low	29.5	Very low	206 Å²	206	145.7 Å²	145.7	90%	0.896	81%	0.814	S	S	*	*			trans	-64.8	112.3	165.7	-72.4	-177.2	172.8	-172.4	0	109.2
792	E	28.2	Very low	29.3	Very low	192 Å²	192	148.3 Å²	148.3	90%	0.897	83%	0.831	S	S	*	*			trans	-72.9	143.9	153.9	-83.6	-177	154.8	0	0	110	P790	P790-E792 PolarHBondContact O-N 3.19Å
793	K	32.2	Very low	29.4	Very low	204 Å²	204	155.6 Å²	155.6	89%	0.887	85%	0.848	S	S	*	*			trans	-75.9	133.4	178.9	-68.3	171.5	173.7	176.7	0	109.5
794	E	29.6	Very low	29.1	Very low	272 Å²	272	160.3 Å²	160.3	100%	1.271	86%	0.859	S	S	*	*				-160.1	0	123.2	-108.9	178.8	173.1	0	0	109.6

Retrieved 794 of 794 residues in 163.9 ms (Link to these results)

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