A0A096NH66_PAPAN Loading...

E3 SUMO-protein ligase ZNF451

E3 SUMO-protein ligase; has a preference for SUMO2 and SUMO3 and facilitates UBE2I/UBC9-mediated sumoylation of target proteins. Plays a role in protein SUMO2 modification in response to stress caused by DNA damage and by proteasome inhibitors (in vitro). Required for MCM4 sumoylation. Has no activity with SUMO1. Preferentially transfers an additional SUMO2 chain onto the SUMO2 consensus site 'Lys-11'. Negatively regulates transcriptional activation mediated by the SMAD4 complex in response to TGF-beta signaling. Inhibits EP300-mediated acetylation of histone H3 at 'Lys-9'. Plays a role in regulating the transcription of AR targets.

AlphaFold DB , UniProt , Accession A0A096NH66, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF451, Length 1,061 aa.

						>A0A096NH66_PAPAN|A0A096NH66|ZNF451
MGDPGSEIIESVPPAGPEASESTTDENEDDIQFVSEGPLRPVLEYIDLVSSDDEEPSTSHTDENVKRKDHIDHQKDKVALTLARLARHVEVEKQQKEEKNRAFREKIDFQHAHGLQELEFIRGHSDTEAARLCVDQWLKMPGLKTGTVNSGTKSSFRRGGQMRVSGKPILCPIMHCNKEFDNGHLLLGHLKRFDHSPCDPTITLHGPFFSSFACVICYKKFVTQQQYRDHLFDKEATDDGHNNNLLPQIIQCFACPNCFLLFSSKDECSKHMSGKNHFHQSFKLGENKGIAHPISFPSFAKKLLISLCKDVPFQVKCVACHQTLRSHMELTAHFRVRCRNAGPVAVAEKSITQVAEKFILRGYCPDCNQVFVDETSTHNHKQNSGHKVRVINSVEESVLLYCHSSEGNKDPSSDVHLLLDQSKFSSLKRTMSVKESSSQECIAIPKKKMNLKDKSHEGIACVQKEKSVVKTWFCECNQRFPSEDAVEKHVFSANTMGYKCVVCGKVCDDSGVIRLHMSRIHGGAHLNNFFFWCRTCKKELTRKDTIMAHVTEFHNGHRYFYEMDEVEGETLPSSSTTLGNLTANKPSSAIAIIDHSLANSSPRGKWQCRICEDMFDSQEYVKQHCMSLASHKFHRYSCAHCRKPFHKIETLYRHCQDEHDNEIKIKYFCGLCDLIFNVEEAFLSHYEEHHSIDYVFVSEKTETSIKTEEDFPVVETSNQLTCGCRESYICKVNRKEDYSRCLQIMLDKGKLWFRCSLCSATTQNLTDMNNHIHQVHKEKSDEEEQQYVIKCGTCTKAFHDPESAQQHFHRKHCFLQKPSVAHFGSEKSKLYKFTASASHTERKLKQAVNYSKSLDLEKGVENDLSYQNIEEEIVELPDLDYLRTMTHIVFVDFDNWSNFFGHLPGHLNQGTFIWGFQGGNTNWKPPLNCKIYNYLNRIGCFFLHPRCSKRKDAADFAICMHAGRLDEQLPKQIPFTILSGDQGFLELENQFKKTQRPAHILNPHHLEGDMMCALLNSISDTTKECDSDDNMGAKNTSIGEEFISTEDVELEEAIRRSLEEM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.1	Very low	36.4	Very low	246 Å²	246	138.4 Å²	138.4	100%	1.212	81%	0.812	S	S	*	*				0	100.2	0	-51.2	-65.7	-97.1	0	0	106.9
2	G	33.5	Very low	35.6	Very low	77 Å²	77	137.9 Å²	137.9	79%	0.794	81%	0.811	S	S	*	*			cis	-179.3	159.3	-4.7	0	0	0	0	0	110.1
3	D	41	Very low	37.2	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	80%	0.804	S	S	*	*			trans	-70.5	174.4	163.9	-117.4	-29.2	0	0	0	110.4
4	P	54.2	Low	38	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	80%	0.8	S	S	*	*			cis	-151.5	175.3	36.1	43.4	-22.9	0	0	0	120
5	G	36.5	Very low	37.4	Very low	66 Å²	66	132.2 Å²	132.2	68%	0.68	80%	0.803	S	S	*	*			trans	76.2	157.2	132.4	0	0	0	0	0	120.9
6	S	36.5	Very low	36.8	Very low	125 Å²	125	128.4 Å²	128.4	87%	0.874	80%	0.799	S	S	*	*			cis	-158	-165.7	-2.9	-70.6	0	0	0	0	111.8
7	E	37.6	Very low	37.2	Very low	180 Å²	180	127.9 Å²	127.9	84%	0.841	80%	0.798	S	S	*	*			trans	-98.7	-165.7	-156.2	-52	159	109.5	0	0	117.7
8	I	33.3	Very low	36.8	Very low	158 Å²	158	130.9 Å²	130.9	81%	0.81	80%	0.801	S	S	*	*			trans	102.6	145.5	160.6	-61.5	169.5	0	0	0	118.2
9	I	34.8	Very low	36.4	Very low	137 Å²	137	128.8 Å²	128.8	70%	0.703	80%	0.798	S	S	*	*			cis	-170.5	155.6	-44.6	-134.5	168.3	0	0	0	111.9
10	E	30.6	Very low	36	Very low	169 Å²	169	127.4 Å²	127.4	79%	0.79	79%	0.793	S	S	*	*			trans	60.8	166.2	160.7	-80.8	-171.4	-166.3	0	0	121.5
11	S	27.9	Very low	35.7	Very low	85 Å²	85	130 Å²	130	59%	0.594	80%	0.796	S	S	*	*			cis	-161.3	125.4	-4.2	-113	0	0	0	0	116.1
12	V	27.4	Very low	35.4	Very low	133 Å²	133	123.1 Å²	123.1	81%	0.806	77%	0.772	S	S	*	*			trans	57.7	-166.7	138.5	-134.7	0	0	0	0	123
13	P	55.9	Low	35.1	Very low	110 Å²	110	124.6 Å²	124.6	71%	0.714	77%	0.766	S	S	*	*				-119.8	-148.4	-123.4	46.7	-27.2	0	0	0	115.3
14	P	48.2	Very low	34.4	Very low	115 Å²	115	122.8 Å²	122.8	75%	0.747	76%	0.761	S	S	*	*			cis	-143.8	-178.4	-7.8	43.5	-23.3	0	0	0	120.1
15	A	30	Very low	33.3	Very low	103 Å²	103	123.7 Å²	123.7	85%	0.851	76%	0.759	S	S	*	*			trans	76.1	155	145.5	0	0	0	0	0	124.1
16	G	27.7	Very low	32.9	Very low	72 Å²	72	128.4 Å²	128.4	74%	0.742	76%	0.763	S	S	*	*			trans	-106.2	-165.3	-178.3	0	0	0	0	0	115.1
17	P	44	Very low	32.6	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	75%	0.753	S	S	*	*				-154.6	-176.4	74.3	43.1	-22.9	0	0	0	118.2
18	E	29.1	Very low	32.3	Very low	183 Å²	183	128.1 Å²	128.1	86%	0.855	75%	0.752	S	S	*	*			trans	37.1	127.3	144.7	-72.4	168.4	-171.9	0	0	122
19	A	29.1	Very low	32.2	Very low	91 Å²	91	127.3 Å²	127.3	75%	0.752	75%	0.749	S	S	*	*				106.3	156	61.1	0	0	0	0	0	111.4
20	S	29.5	Very low	32.1	Very low	99 Å²	99	127.3 Å²	127.3	69%	0.692	75%	0.751	S	S	*	*			cis	-169.2	172.2	-9.7	40.5	0	0	0	0	111.1
21	E	29.2	Very low	32.2	Very low	184 Å²	184	126.8 Å²	126.8	86%	0.86	75%	0.752	S	S	*	*			trans	67.5	157.9	167.3	-70.5	176.2	-171.4	0	0	118
22	S	28.2	Very low	32.2	Very low	101 Å²	101	130.1 Å²	130.1	71%	0.706	76%	0.758	S	S	*	*			cis	-170.8	-179.5	-18.6	55.4	0	0	0	0	108
23	T	26.5	Very low	32.5	Very low	107 Å²	107	134.3 Å²	134.3	66%	0.656	77%	0.766	S	S	*	*			cis	-151.6	178.1	7.4	54.5	0	0	0	0	111.1
24	T	27.3	Very low	31.2	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	77%	0.766	S	S	*	*			trans	59.4	151.1	145.6	49.6	0	0	0	0	122.8
25	D	29.1	Very low	30.3	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	77%	0.765	S	S	*	*			cis	-173	172.8	-30.5	-142.5	-33.2	0	0	0	110.2
26	E	29.6	Very low	30.3	Very low	166 Å²	166	139 Å²	139	78%	0.776	77%	0.77	S	S	*	*			trans	63.7	155.8	168.3	-57.5	-174.7	179.2	0	0	118.6
27	N	30.2	Very low	30.4	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	76%	0.762	S	S	*	*			cis	-166.4	157.2	-40.9	-102.1	-29.5	0	0	0	108.9
28	E	30.9	Very low	30	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	77%	0.766	S	S	*	*			trans	63.4	143.8	164.9	-68.5	163	-159.2	0	0	116.7
29	D	31.7	Very low	30.2	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	77%	0.769	S	S	*	*			cis	-154.9	-177.5	-4	-138.8	-21.6	0	0	0	111.6
30	D	31.4	Very low	30.5	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	77%	0.771	S	S	*	*			trans	64.9	100.8	159.2	-88.5	-25.7	0	0	0	120.9
31	I	34.1	Very low	31	Very low	157 Å²	157	145.7 Å²	145.7	81%	0.805	78%	0.778	S	S	*	*				-173.8	96.9	97.8	-85.8	162.4	0	0	0	110.5
32	Q	27.5	Very low	31.1	Very low	156 Å²	156	142 Å²	142	73%	0.729	77%	0.768	S	S	*	*			trans	40.3	103.5	131.5	-161.4	166.2	32.2	0	0	121.1	V34	Q32-V34 HydrophobicContact CG-CB 4.22Å; Q32-V34 HydrophobicContact CG-CG2 3.58Å
33	F	33.4	Very low	31.5	Very low	221 Å²	221	145.2 Å²	145.2	97%	0.969	78%	0.776	S	S	*	*			trans	-77.6	114.4	148.9	-94.1	-97.4	0	0	0	110.2
34	V	28.5	Very low	31.9	Very low	117 Å²	117	147.4 Å²	147.4	71%	0.709	78%	0.779	S	S	*	*			trans	-134.2	153.2	165.5	165.4	0	0	0	0	109.9	Q32	Q32-V34 HydrophobicContact CG-CB 4.22Å; Q32-V34 HydrophobicContact CG-CG2 3.58Å
35	S	29.8	Very low	32.5	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	78%	0.783	S	S	*	*			trans	-110.2	136.6	-158.4	57.4	0	0	0	0	115.9
36	E	30.2	Very low	32.8	Very low	203 Å²	203	152.4 Å²	152.4	95%	0.949	79%	0.785	S	S	*	*			trans	-144.9	131	148.1	-81.4	178.6	-164.5	0	0	107.2
37	G	28.6	Very low	33.1	Very low	56 Å²	56	150.9 Å²	150.9	58%	0.577	78%	0.782	S	S	*	*			cis	161	98.4	-4.2	0	0	0	0	0	109.7	L39	G37-L39 PolarHBondContact O-N 3.02Å
38	P	36.1	Very low	33.4	Very low	130 Å²	130	152.4 Å²	152.4	84%	0.844	79%	0.79	S	S	*	*			trans	-79	90.3	-170.5	30.8	-34.9	0	0	0	112.4	R40	P38-R40 PolarHBondContact O-N 2.91Å
39	L	32.5	Very low	33.7	Very low	176 Å²	176	150.2 Å²	150.2	92%	0.921	79%	0.788	S	S	*	*			trans	-68.9	92	174.5	-72	175.9	0	0	0	112	G37	G37-L39 PolarHBondContact O-N 3.02Å
40	R	35.5	Very low	33.8	Very low	213 Å²	213	148.3 Å²	148.3	80%	0.804	79%	0.786	S	S	*	*			trans	-103.3	120.9	156.3	-78.1	-171.1	177.9	-170.6	0.6	110	P38 V42	P38-R40 PolarHBondContact O-N 2.91Å; R40-V42 HydrophobicContact CB-CG2 4.27Å; R40-V42 PolarHBondContact O-N 2.87Å
41	P	39.9	Very low	34	Very low	130 Å²	130	146 Å²	146	84%	0.844	78%	0.781	S	S	*	*			trans	-72.5	98.9	152.9	-8.1	25.7	0	0	0	108.2
42	V	32.5	Very low	34	Very low	107 Å²	107	145.5 Å²	145.5	65%	0.648	78%	0.779	S	S	*	*			trans	-117.5	84.6	158.9	178.9	0	0	0	0	106.6	R40	R40-V42 HydrophobicContact CB-CG2 4.27Å; R40-V42 PolarHBondContact O-N 2.87Å
43	L	35.3	Very low	34.7	Very low	167 Å²	167	145.1 Å²	145.1	87%	0.874	78%	0.782	S	S	*	*			trans	-127.8	85.3	169	-77.7	179.3	0	0	0	108.4
44	E	36.5	Very low	34.8	Very low	154 Å²	154	142.7 Å²	142.7	72%	0.72	77%	0.774	S	S	*	*	S	Bend	trans	-165.2	157.4	145.3	-107.3	159.8	-150.7	0	0	107.6
45	Y	39.2	Very low	35.1	Very low	213 Å²	213	145.3 Å²	145.3	84%	0.835	78%	0.778	S	S	*	*			trans	66	39.2	-174.1	-46.9	-71.2	0	0	0	117.1
46	I	35.8	Very low	35.6	Very low	152 Å²	152	144.6 Å²	144.6	78%	0.779	77%	0.772	S	S	*	*				-103.2	98	128.5	-62.9	178.9	0	0	0	105.8	L48	I46-L48 HydrophobicContact CG2-CD1 3.9Å; I46-L48 HydrophobicContact CG2-CG 3.94Å
47	D	34.6	Very low	35.8	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	76%	0.764	S	S	*	*			trans	-85.9	130.1	171	-164.1	-7.2	0	0	0	109.2	V49	D47-V49 PolarHBondContact OD1-N 3.45Å
48	L	38.3	Very low	35.9	Very low	157 Å²	157	143.8 Å²	143.8	82%	0.822	77%	0.774	S	S	*	*			trans	-138.6	57	-176.1	-83.7	173.1	0	0	0	109.8	I46	I46-L48 HydrophobicContact CG2-CD1 3.9Å; I46-L48 HydrophobicContact CG2-CG 3.94Å
49	V	36.7	Very low	35.8	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	76%	0.76	S	S	*	*			trans	-89	129.7	162.5	179.2	0	0	0	0	109.5	D47	D47-V49 PolarHBondContact OD1-N 3.45Å
50	S	34.4	Very low	36	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	75%	0.754	S	S	*	*			trans	-115.5	128.3	176.4	173.4	0	0	0	0	109.6
51	S	34.6	Very low	36	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	75%	0.751	S	S	*	*			trans	61.1	169.1	154.7	82.3	0	0	0	0	116.2
52	D	33.4	Very low	35.7	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	75%	0.746	S	S	*	*			cis	-113.8	172	7.4	-71.3	-38.5	0	0	0	114.1
53	D	42.5	Very low	35.9	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	75%	0.749	S	S	*	*			trans	-78	174.9	-174	-53.5	-78	0	0	0	115
54	E	36.3	Very low	36.4	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	74%	0.742	S	S	*	*				-165.4	164.9	115.7	-102.5	-58.4	176	0	0	112.8
55	E	34.7	Very low	36.6	Very low	171 Å²	171	137 Å²	137	80%	0.799	75%	0.748	S	S	*	*			trans	75.6	139.9	172.1	-68.5	-84.6	139.4	0	0	118.5
56	P	40.7	Very low	37.2	Very low	92 Å²	92	136.4 Å²	136.4	60%	0.597	75%	0.749	S	S	*	*				-143.7	168.5	-128.3	40.9	-21.3	0	0	0	118.9
57	S	33.8	Very low	37.8	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	76%	0.755	S	S	*	*			trans	69.6	154	162.5	-39.7	0	0	0	0	116.4
58	T	29.9	Very low	38.8	Very low	129 Å²	129	140 Å²	140	79%	0.791	75%	0.746	S	S	*	*			cis	-142.2	-174.5	11	49.4	0	0	0	0	110.2
59	S	35.3	Very low	39.8	Very low	79 Å²	79	138.1 Å²	138.1	55%	0.552	74%	0.737	S	S	*	*				-163.6	154.8	-62.7	61	0	0	0	0	109.3
60	H	36.4	Very low	40.9	Very low	172 Å²	172	138.5 Å²	138.5	80%	0.796	73%	0.73	S	S	*	*			trans	69.3	146	-175.8	-41.5	-74.3	0	0	0	113.8
61	T	34.5	Very low	42.4	Very low	119 Å²	119	139.1 Å²	139.1	73%	0.73	72%	0.724	S	S	*	*			cis	-155.4	-173	-8.7	8.2	0	0	0	0	107.2
62	D	34.5	Very low	44.2	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	71%	0.708	S	S	*	*			cis	-152.7	-161.9	14	-137.8	-58.2	0	0	0	112.4
63	E	37.3	Very low	45.8	Very low	152 Å²	152	136.4 Å²	136.4	71%	0.71	70%	0.698	S	S	*	*			trans	-62	162.3	-176.5	-71.1	-155.1	136.3	0	0	120
64	N	44.1	Very low	47.1	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	69%	0.685	S	S	*	*			trans	67.3	62.9	139.6	-82.4	-47.8	0	0	0	120.3
65	V	41.2	Very low	49.1	Very low	138 Å²	138	132.2 Å²	132.2	84%	0.836	67%	0.672	S	S	*	*			trans	-115.7	129.6	144.2	-178.3	0	0	0	0	109.3	R67	V65-R67 PolarHBondContact O-N 3.14Å
66	K	51.6	Low	51.2	Low	200 Å²	200	127.6 Å²	127.6	87%	0.87	65%	0.653	S	S	*	*			trans	-56.9	130.3	174.5	-67.6	178.2	179.6	177.3	0	109.1	K68	K66-K68 PolarHBondContact O-N 2.96Å
67	R	48.8	Very low	52.8	Low	240 Å²	240	130.3 Å²	130.3	91%	0.906	66%	0.655	S	S	*	*			trans	-55	109.7	174.2	-73.1	-177.2	177.2	176.8	-1.5	109.1	V65 D69	V65-R67 PolarHBondContact O-N 3.14Å; R67-D69 PolarHBondContact O-N 3.18Å
68	K	55.4	Low	55.2	Low	120 Å²	120	129.1 Å²	129.1	52%	0.522	64%	0.643	S	S	.	*			trans	-62.7	127.9	159.1	-124	-174.9	173.1	-172.7	0	105.9	K66 D72 D76	K66-K68 PolarHBondContact O-N 2.96Å; K68-D72 HydrophobicContact CD-CB 4.1Å; K68-D72 HydrophobicContact CG-CB 3.99Å; K68-D76 VanDerWaalsContact NZ-CG 3.29Å; K68-D76 IonicContact NZ-OD1 2.69Å; K68-D76 PolarHBondContact NZ-OD1 3.25Å; K68-D76 VanDerWaalsContact NZ-OD1 3.16Å; K68-D76 IonicContact NZ-OD2 2.64Å; K68-D76 PolarHBondContact NZ-OD2 3.35Å
69	D	60.4	Low	57.7	Low	117 Å²	117	125.7 Å²	125.7	63%	0.626	63%	0.628	S	S	*	*			trans	-59.2	150.1	179.6	-77.7	-48.7	0	0	0	110.5	R67 I71 D72 H73	R67-D69 PolarHBondContact O-N 3.18Å; D69-I71 PolarHBondContact O-N 3.48Å; D69-D72 PolarHBondContact O-N 3.09Å; D69-H73 PolarHBondContact O-N 2.93Å
70	H	59	Low	60	Low	137 Å²	137	126.5 Å²	126.5	63%	0.634	63%	0.625	S	S	*	*	H	α-helix	trans	-51.9	-34.5	-179.1	-175.6	84.2	0	0	0	112.1	H73 Q74	H70-H73 PolarHBondContact O-N 2.87Å; H70-Q74 PolarHBondContact CD2-NE2 3.29Å; H70-Q74 PolarHBondContact NE2-NE2 3Å; H70-Q74 WeakPolarHBondContact O-CG 3.19Å; H70-Q74 PolarHBondContact O-N 3.43Å
71	I	66.7	Low	61.9	Low	112 Å²	112	122.1 Å²	122.1	57%	0.574	61%	0.611	S	S	*	*	H	α-helix	trans	-58.4	-44.3	174.3	-63.7	173.4	0	0	0	111.9	D69 Q74 K75	D69-I71 PolarHBondContact O-N 3.48Å; I71-Q74 PolarHBondContact O-N 2.81Å; I71-K75 HydrophobicContact CG2-CD 4.5Å; I71-K75 WeakPolarHBondContact O-CG 3.36Å; I71-K75 PolarHBondContact O-N 3.3Å
72	D	70.8	Confident	64.1	Low	55 Å²	55	121.6 Å²	121.6	29%	0.294	60%	0.603	S	S	.	*	H	α-helix	trans	-72.9	-34.6	-179.2	-82	4.1	0	0	0	112.1	K68 D69 Q74 K75 D76	K68-D72 HydrophobicContact CD-CB 4.1Å; K68-D72 HydrophobicContact CG-CB 3.99Å; D69-D72 PolarHBondContact O-N 3.09Å; D72-Q74 VanDerWaalsContact C-N 3.32Å; D72-K75 PolarHBondContact O-N 3.47Å; D72-K75 WeakPolarHBondContact OD1-CD 3.16Å; D72-K75 IonicContact OD1-NZ 2.7Å; D72-K75 PolarHBondContact OD1-NZ 3.5Å; D72-D76 VanDerWaalsContact O-CG 3.26Å; D72-D76 PolarHBondContact O-N 2.99Å
73	H	68.3	Low	66.4	Low	125 Å²	125	117.2 Å²	117.2	58%	0.579	59%	0.586	S	S	*	*	H	α-helix	trans	-66.2	-35.9	172.3	-166.9	68.1	0	0	0	111.9	D69 H70 K77	D69-H73 PolarHBondContact O-N 2.93Å; H70-H73 PolarHBondContact O-N 2.87Å; H73-K77 WeakPolarHBondContact O-CB 3.22Å; H73-K77 PolarHBondContact O-N 3.45Å; H73-K77 VanDerWaalsContact O-N 3.11Å
74	Q	70.6	Confident	68.4	Low	109 Å²	109	117.4 Å²	117.4	51%	0.509	58%	0.581	S	S	.	*	H	α-helix	trans	-66.9	-42.8	170.3	-70.9	-162.7	10.8	0	0	112.4	H70 I71 D72 D76 K77 V78	H70-Q74 PolarHBondContact CD2-NE2 3.29Å; H70-Q74 PolarHBondContact NE2-NE2 3Å; H70-Q74 WeakPolarHBondContact O-CG 3.19Å; H70-Q74 PolarHBondContact O-N 3.43Å; I71-Q74 PolarHBondContact O-N 2.81Å; D72-Q74 VanDerWaalsContact C-N 3.32Å; Q74-D76 PolarHBondContact O-N 2.86Å; Q74-K77 PolarHBondContact O-N 3.14Å; Q74-V78 WeakPolarHBondContact O-CG2 3.41Å; Q74-V78 PolarHBondContact O-N 3.13Å
75	K	77.1	Confident	70.2	Confident	121 Å²	121	116.3 Å²	116.3	53%	0.526	57%	0.574	S	S	.	*	H	α-helix	trans	-57.3	-47.6	174.1	-72.3	172.2	-166.6	153.1	0	111.7	I71 D72 K77 V78 A79	I71-K75 HydrophobicContact CG2-CD 4.5Å; I71-K75 WeakPolarHBondContact O-CG 3.36Å; I71-K75 PolarHBondContact O-N 3.3Å; D72-K75 PolarHBondContact O-N 3.47Å; D72-K75 WeakPolarHBondContact OD1-CD 3.16Å; D72-K75 IonicContact OD1-NZ 2.7Å; D72-K75 PolarHBondContact OD1-NZ 3.5Å; K75-K77 VanDerWaalsContact C-N 3.31Å; K75-K77 PolarHBondContact O-N 3.12Å; K75-V78 PolarHBondContact O-N 2.8Å; K75-A79 WeakPolarHBondContact O-CB 3.36Å; K75-A79 PolarHBondContact O-N 3.3Å
76	D	78.9	Confident	72.2	Confident	74 Å²	74	112.8 Å²	112.8	40%	0.396	56%	0.559	S	S	.	*	H	α-helix	trans	-58	-44.3	177.1	-68.7	-26.2	0	0	0	110.8	K68 D72 Q74 A79 L80	K68-D76 VanDerWaalsContact NZ-CG 3.29Å; K68-D76 IonicContact NZ-OD1 2.69Å; K68-D76 PolarHBondContact NZ-OD1 3.25Å; K68-D76 VanDerWaalsContact NZ-OD1 3.16Å; K68-D76 IonicContact NZ-OD2 2.64Å; K68-D76 PolarHBondContact NZ-OD2 3.35Å; D72-D76 VanDerWaalsContact O-CG 3.26Å; D72-D76 PolarHBondContact O-N 2.99Å; Q74-D76 PolarHBondContact O-N 2.86Å; D76-A79 PolarHBondContact O-N 3.44Å; D76-L80 WeakPolarHBondContact O-CB 3.28Å; D76-L80 PolarHBondContact O-N 3.01Å
77	K	74.3	Confident	73.7	Confident	150 Å²	150	111.3 Å²	111.3	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-64.8	-39.8	178.4	-167	176.5	-177.9	-179	0	112.5	H73 Q74 K75 T81	H73-K77 WeakPolarHBondContact O-CB 3.22Å; H73-K77 PolarHBondContact O-N 3.45Å; H73-K77 VanDerWaalsContact O-N 3.11Å; Q74-K77 PolarHBondContact O-N 3.14Å; K75-K77 VanDerWaalsContact C-N 3.31Å; K75-K77 PolarHBondContact O-N 3.12Å; K77-T81 WeakPolarHBondContact O-CB 3.49Å; K77-T81 PolarHBondContact O-N 2.97Å; K77-T81 VanDerWaalsContact O-N 3.14Å; K77-T81 PolarHBondContact O-OG1 3.13Å
78	V	83.7	Confident	75.1	Confident	86 Å²	86	105.1 Å²	105.1	52%	0.521	53%	0.53	S	S	.	.	H	α-helix	trans	-67.9	-46.8	174.8	171.5	0	0	0	0	110.9	Q74 K75 L80 T81 L82	Q74-V78 WeakPolarHBondContact O-CG2 3.41Å; Q74-V78 PolarHBondContact O-N 3.13Å; K75-V78 PolarHBondContact O-N 2.8Å; V78-L80 PolarHBondContact O-N 3.28Å; V78-T81 WeakPolarHBondContact O-CB 3.5Å; V78-T81 PolarHBondContact O-N 3.22Å; V78-T81 VanDerWaalsContact O-N 3.07Å; V78-L82 HydrophobicContact CG1-CD1 4.01Å; V78-L82 HydrophobicContact CG1-CG 4.42Å; V78-L82 WeakPolarHBondContact O-CG 3.41Å; V78-L82 PolarHBondContact O-N 3.32Å
79	A	82.9	Confident	76.6	Confident	57 Å²	57	103.4 Å²	103.4	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-60.2	-43.2	177.7	0	0	0	0	0	112	K75 D76 T81 L82 A83	K75-A79 WeakPolarHBondContact O-CB 3.36Å; K75-A79 PolarHBondContact O-N 3.3Å; D76-A79 PolarHBondContact O-N 3.44Å; A79-T81 VanDerWaalsContact C-N 3.26Å; A79-T81 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 2.86Å; A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 2.74Å
80	L	83.4	Confident	77.8	Confident	96 Å²	96	101.5 Å²	101.5	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-35.1	174.6	-161	89.2	0	0	0	112.1	D76 V78 R84	D76-L80 WeakPolarHBondContact O-CB 3.28Å; D76-L80 PolarHBondContact O-N 3.01Å; V78-L80 PolarHBondContact O-N 3.28Å; L80-R84 WeakPolarHBondContact O-CG 3.37Å; L80-R84 PolarHBondContact O-N 2.68Å; L80-R84 VanDerWaalsContact O-N 3.12Å
81	T	75.9	Confident	79.2	Confident	81 Å²	81	98.4 Å²	98.4	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-72.4	-45.1	178.7	-57.2	0	0	0	0	111.2	K77 V78 A79 A83 R84 L85	K77-T81 WeakPolarHBondContact O-CB 3.49Å; K77-T81 PolarHBondContact O-N 2.97Å; K77-T81 VanDerWaalsContact O-N 3.14Å; K77-T81 PolarHBondContact O-OG1 3.13Å; V78-T81 WeakPolarHBondContact O-CB 3.5Å; V78-T81 PolarHBondContact O-N 3.22Å; V78-T81 VanDerWaalsContact O-N 3.07Å; A79-T81 VanDerWaalsContact C-N 3.26Å; A79-T81 PolarHBondContact O-N 3.46Å; T81-A83 VanDerWaalsContact C-N 3.32Å; T81-A83 PolarHBondContact O-N 3.05Å; T81-R84 WeakPolarHBondContact O-CB 3.43Å; T81-R84 PolarHBondContact O-N 2.88Å; T81-R84 VanDerWaalsContact O-N 3.1Å; T81-L85 PolarHBondContact O-N 3.38Å
82	L	80.4	Confident	79.6	Confident	107 Å²	107	98.2 Å²	98.2	56%	0.56	50%	0.503	S	S	*	.	H	α-helix	trans	-60.9	-40.2	173	-67.8	171.4	0	0	0	111.7	V78 A79 R84 L85 A86	V78-L82 HydrophobicContact CG1-CD1 4.01Å; V78-L82 HydrophobicContact CG1-CG 4.42Å; V78-L82 WeakPolarHBondContact O-CG 3.41Å; V78-L82 PolarHBondContact O-N 3.32Å; A79-L82 PolarHBondContact O-N 2.86Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 2.89Å; L82-L85 PolarHBondContact O-N 2.93Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.24Å
83	A	84.2	Confident	80.4	Confident	48 Å²	48	100 Å²	100	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-71	-15.1	175.6	0	0	0	0	0	114.3	A79 T81 R87	A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 2.74Å; T81-A83 VanDerWaalsContact C-N 3.32Å; T81-A83 PolarHBondContact O-N 3.05Å; A83-R87 PolarHBondContact O-NE 2.72Å; A83-R87 PolarHBondContact O-NH2 3.49Å
84	R	77.8	Confident	81.2	Confident	157 Å²	157	98.5 Å²	98.5	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-81.9	-45.9	165.3	-71.7	170	-174.8	-164	0.5	110.4	L80 T81 L82 A86 R87 H88	L80-R84 WeakPolarHBondContact O-CG 3.37Å; L80-R84 PolarHBondContact O-N 2.68Å; L80-R84 VanDerWaalsContact O-N 3.12Å; T81-R84 WeakPolarHBondContact O-CB 3.43Å; T81-R84 PolarHBondContact O-N 2.88Å; T81-R84 VanDerWaalsContact O-N 3.1Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 2.89Å; R84-A86 PolarHBondContact O-N 2.87Å; R84-R87 PolarHBondContact O-N 3.35Å; R84-H88 PolarHBondContact O-N 3.48Å; R84-H88 VanDerWaalsContact O-N 3.08Å
85	L	82.1	Confident	81.6	Confident	113 Å²	113	97.4 Å²	97.4	59%	0.592	50%	0.497	S	S	*	.	H	α-helix	trans	-61.3	-45.3	-179.3	-160.4	77.2	0	0	0	112.3	T81 L82 R87 H88 V89	T81-L85 PolarHBondContact O-N 3.38Å; L82-L85 PolarHBondContact O-N 2.93Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.38Å; L85-H88 WeakPolarHBondContact O-CB 3.49Å; L85-H88 PolarHBondContact O-N 3.1Å; L85-H88 VanDerWaalsContact O-N 3.11Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 2.86Å
86	A	84.1	Confident	81.4	Confident	64 Å²	64	98.4 Å²	98.4	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-59.9	-38.4	177.9	0	0	0	0	0	112.7	L82 R84 V89 E90	L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.24Å; R84-A86 PolarHBondContact O-N 2.87Å; A86-V89 PolarHBondContact O-N 3.35Å; A86-E90 PolarHBondContact O-N 3.15Å; A86-E90 VanDerWaalsContact O-N 3.08Å
87	R	83.6	Confident	81.7	Confident	168 Å²	168	99.3 Å²	99.3	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-69.2	-35.9	174.6	-76.6	-176.2	-72.2	165.4	-3.4	112.5	A83 R84 L85 E90 V91	A83-R87 PolarHBondContact O-NE 2.72Å; A83-R87 PolarHBondContact O-NH2 3.49Å; R84-R87 PolarHBondContact O-N 3.35Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 3.38Å; R87-E90 PolarHBondContact O-N 2.88Å; R87-V91 WeakPolarHBondContact O-CG2 3.44Å; R87-V91 PolarHBondContact O-N 2.79Å
88	H	77.7	Confident	82	Confident	111 Å²	111	97.3 Å²	97.3	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-45.5	173.9	-163.9	-80.9	0	0	0	111.5	R84 L85 E90 V91 E92	R84-H88 PolarHBondContact O-N 3.48Å; R84-H88 VanDerWaalsContact O-N 3.08Å; L85-H88 WeakPolarHBondContact O-CB 3.49Å; L85-H88 PolarHBondContact O-N 3.1Å; L85-H88 VanDerWaalsContact O-N 3.11Å; H88-E90 PolarHBondContact O-N 3.49Å; H88-V91 PolarHBondContact O-N 3.11Å; H88-E92 IonicContact CE1-OE1 3.26Å; H88-E92 PolarHBondContact CE1-OE1 3.42Å; H88-E92 IonicContact CE1-OE2 3.54Å; H88-E92 VanDerWaalsContact ND1-CD 3.28Å; H88-E92 IonicContact ND1-OE1 3.41Å; H88-E92 IonicContact ND1-OE2 3.88Å; H88-E92 PolarHBondContact ND1-OE2 3.45Å; H88-E92 VanDerWaalsContact ND1-OE2 3.14Å; H88-E92 WeakPolarHBondContact O-CG 3.5Å; H88-E92 PolarHBondContact O-N 3Å
89	V	86.1	Confident	81.4	Confident	84 Å²	84	99.5 Å²	99.5	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-40.6	178.5	173.1	0	0	0	0	111.9	L85 A86 E92 K93	L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 2.86Å; A86-V89 PolarHBondContact O-N 3.35Å; V89-E92 PolarHBondContact O-N 3.1Å; V89-K93 WeakPolarHBondContact O-CB 3.47Å; V89-K93 PolarHBondContact O-N 3.31Å
90	E	86.4	Confident	81	Confident	76 Å²	76	100.7 Å²	100.7	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-68.5	-35.6	176.8	-174.5	55.8	-146.6	0	0	112.1	A86 R87 H88 K93 Q94	A86-E90 PolarHBondContact O-N 3.15Å; A86-E90 VanDerWaalsContact O-N 3.08Å; R87-E90 PolarHBondContact O-N 2.88Å; H88-E90 PolarHBondContact O-N 3.49Å; E90-K93 PolarHBondContact O-N 3.42Å; E90-K93 IonicContact OE1-NZ 2.73Å; E90-K93 PolarHBondContact OE1-NZ 3.03Å; E90-K93 IonicContact OE2-NZ 2.73Å; E90-K93 PolarHBondContact OE2-NZ 3.48Å; E90-Q94 VanDerWaalsContact O-CG 3.32Å; E90-Q94 WeakPolarHBondContact O-CG 3.48Å; E90-Q94 PolarHBondContact O-N 3.48Å; E90-Q94 PolarHBondContact OE1-NE2 2.79Å
91	V	87.4	Confident	81	Confident	73 Å²	73	102.4 Å²	102.4	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-43.1	171.9	169.5	0	0	0	0	111.7	R87 H88 K93 Q94 Q95	R87-V91 WeakPolarHBondContact O-CG2 3.44Å; R87-V91 PolarHBondContact O-N 2.79Å; H88-V91 PolarHBondContact O-N 3.11Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 3.46Å; V91-Q94 PolarHBondContact O-N 3.07Å; V91-Q95 WeakPolarHBondContact O-CG 3.39Å; V91-Q95 PolarHBondContact O-N 2.96Å
92	E	76.5	Confident	81	Confident	107 Å²	107	101.1 Å²	101.1	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-37	175.1	-74.4	179.4	130.5	0	0	112.1	H88 V89 K96	H88-E92 IonicContact CE1-OE1 3.26Å; H88-E92 PolarHBondContact CE1-OE1 3.42Å; H88-E92 IonicContact CE1-OE2 3.54Å; H88-E92 VanDerWaalsContact ND1-CD 3.28Å; H88-E92 IonicContact ND1-OE1 3.41Å; H88-E92 IonicContact ND1-OE2 3.88Å; H88-E92 PolarHBondContact ND1-OE2 3.45Å; H88-E92 VanDerWaalsContact ND1-OE2 3.14Å; H88-E92 WeakPolarHBondContact O-CG 3.5Å; H88-E92 PolarHBondContact O-N 3Å; V89-E92 PolarHBondContact O-N 3.1Å; E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 2.75Å
93	K	87.8	Confident	80.5	Confident	93 Å²	93	102.4 Å²	102.4	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-49.5	173.1	168	169.2	154.7	-86	0	111.6	V89 E90 V91 Q95 K96 E97	V89-K93 WeakPolarHBondContact O-CB 3.47Å; V89-K93 PolarHBondContact O-N 3.31Å; E90-K93 PolarHBondContact O-N 3.42Å; E90-K93 IonicContact OE1-NZ 2.73Å; E90-K93 PolarHBondContact OE1-NZ 3.03Å; E90-K93 IonicContact OE2-NZ 2.73Å; E90-K93 PolarHBondContact OE2-NZ 3.48Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 3.46Å; K93-Q95 PolarHBondContact O-N 2.69Å; K93-K96 WeakPolarHBondContact O-CB 3.2Å; K93-K96 PolarHBondContact O-N 3.13Å; K93-K96 VanDerWaalsContact O-N 3.08Å; K93-E97 VanDerWaalsContact CE-OE1 3.27Å; K93-E97 WeakPolarHBondContact CE-OE1 3.48Å; K93-E97 VanDerWaalsContact CG-OE1 3.3Å; K93-E97 WeakPolarHBondContact CG-OE1 3.41Å; K93-E97 IonicContact NZ-OE1 3.14Å; K93-E97 WeakPolarHBondContact O-CG 3.43Å; K93-E97 PolarHBondContact O-N 2.96Å
94	Q	84.3	Confident	80	Confident	93 Å²	93	107.2 Å²	107.2	44%	0.435	50%	0.504	S	S	.	.	H	α-helix	trans	-60.4	-47.2	177.6	-72.9	172	13.3	0	0	111.7	E90 V91 K96 E97 E98	E90-Q94 VanDerWaalsContact O-CG 3.32Å; E90-Q94 WeakPolarHBondContact O-CG 3.48Å; E90-Q94 PolarHBondContact O-N 3.48Å; E90-Q94 PolarHBondContact OE1-NE2 2.79Å; V91-Q94 PolarHBondContact O-N 3.07Å; Q94-K96 PolarHBondContact O-N 3.16Å; Q94-E97 PolarHBondContact O-N 3.31Å; Q94-E97 VanDerWaalsContact O-N 3.1Å; Q94-E98 WeakPolarHBondContact O-CG 3.41Å; Q94-E98 PolarHBondContact O-N 3.4Å
95	Q	78.4	Confident	79.9	Confident	87 Å²	87	104.9 Å²	104.9	41%	0.407	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-32.6	174.2	-73.5	-172.7	23.7	0	0	113.3	V91 K93 K99	V91-Q95 WeakPolarHBondContact O-CG 3.39Å; V91-Q95 PolarHBondContact O-N 2.96Å; K93-Q95 PolarHBondContact O-N 2.69Å; Q95-K99 WeakPolarHBondContact O-CB 3.5Å; Q95-K99 VanDerWaalsContact O-CD 3.23Å; Q95-K99 WeakPolarHBondContact O-CD 3.22Å; Q95-K99 WeakPolarHBondContact O-CG 3.34Å; Q95-K99 PolarHBondContact O-N 2.88Å
96	K	74.1	Confident	79.5	Confident	141 Å²	141	105.8 Å²	105.8	61%	0.613	50%	0.499	S	S	*	.	H	α-helix	trans	-73.9	-38.2	176.4	-173.1	178.8	-179.9	-177.5	0	111.4	E92 K93 Q94 N100	E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 2.75Å; K93-K96 WeakPolarHBondContact O-CB 3.2Å; K93-K96 PolarHBondContact O-N 3.13Å; K93-K96 VanDerWaalsContact O-N 3.08Å; Q94-K96 PolarHBondContact O-N 3.16Å; K96-N100 VanDerWaalsContact O-CB 3.3Å; K96-N100 WeakPolarHBondContact O-CB 3.37Å; K96-N100 PolarHBondContact O-N 2.58Å; K96-N100 PolarHBondContact O-ND2 2.92Å
97	E	84.4	Confident	78.9	Confident	94 Å²	94	106.3 Å²	106.3	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-40	174.8	-72.6	174.6	-156.7	0	0	111.9	K93 Q94 N100 R101	K93-E97 VanDerWaalsContact CE-OE1 3.27Å; K93-E97 WeakPolarHBondContact CE-OE1 3.48Å; K93-E97 VanDerWaalsContact CG-OE1 3.3Å; K93-E97 WeakPolarHBondContact CG-OE1 3.41Å; K93-E97 IonicContact NZ-OE1 3.14Å; K93-E97 WeakPolarHBondContact O-CG 3.43Å; K93-E97 PolarHBondContact O-N 2.96Å; Q94-E97 PolarHBondContact O-N 3.31Å; Q94-E97 VanDerWaalsContact O-N 3.1Å; E97-N100 CarbonylContact O-C 3.59Å; E97-N100 PolarHBondContact O-N 3.24Å; E97-R101 PolarHBondContact O-N 2.79Å
98	E	80.5	Confident	78.1	Confident	108 Å²	108	103.1 Å²	103.1	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-47.4	172.6	-71.1	176.6	152.9	0	0	112.3	Q94 N100 R101 A102	Q94-E98 WeakPolarHBondContact O-CG 3.41Å; Q94-E98 PolarHBondContact O-N 3.4Å; E98-N100 VanDerWaalsContact C-N 3.26Å; E98-N100 PolarHBondContact O-N 2.94Å; E98-R101 WeakPolarHBondContact O-CA 3.19Å; E98-R101 WeakPolarHBondContact O-CB 3.25Å; E98-R101 PolarHBondContact O-N 2.84Å; E98-A102 PolarHBondContact O-N 2.77Å
99	K	71.4	Confident	77.7	Confident	131 Å²	131	104.7 Å²	104.7	57%	0.57	49%	0.493	S	S	*	.	H	α-helix	trans	-59.9	-37.1	175	-72.6	161.8	-168	159.7	0	111.7	Q95 R101 F103	Q95-K99 WeakPolarHBondContact O-CB 3.5Å; Q95-K99 VanDerWaalsContact O-CD 3.23Å; Q95-K99 WeakPolarHBondContact O-CD 3.22Å; Q95-K99 WeakPolarHBondContact O-CG 3.34Å; Q95-K99 PolarHBondContact O-N 2.88Å; K99-R101 VanDerWaalsContact C-N 3.28Å; K99-R101 PolarHBondContact O-N 2.97Å; K99-F103 VanDerWaalsContact O-CB 3.3Å; K99-F103 WeakPolarHBondContact O-CB 3.41Å; K99-F103 PolarHBondContact O-N 3.35Å; K99-F103 VanDerWaalsContact O-N 3.1Å
100	N	75.3	Confident	76.7	Confident	83 Å²	83	105.2 Å²	105.2	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-74.2	-12.4	172.7	-72.9	-15.4	0	0	0	114	K96 E97 E98 R104	K96-N100 VanDerWaalsContact O-CB 3.3Å; K96-N100 WeakPolarHBondContact O-CB 3.37Å; K96-N100 PolarHBondContact O-N 2.58Å; K96-N100 PolarHBondContact O-ND2 2.92Å; E97-N100 CarbonylContact O-C 3.59Å; E97-N100 PolarHBondContact O-N 3.24Å; E98-N100 VanDerWaalsContact C-N 3.26Å; E98-N100 PolarHBondContact O-N 2.94Å; N100-R104 PolarHBondContact O-NE 3.38Å; N100-R104 PolarHBondContact O-NH2 3.48Å; N100-R104 VanDerWaalsContact O-NH2 3.15Å
101	R	82.9	Confident	75.9	Confident	131 Å²	131	105.6 Å²	105.6	49%	0.494	49%	0.491	S	S	.	.	H	α-helix	trans	-87.6	-54.6	173.4	-158.7	-168.6	-61.9	149.8	6.3	109.9	E97 E98 K99 F103 R104 E105	E97-R101 PolarHBondContact O-N 2.79Å; E98-R101 WeakPolarHBondContact O-CA 3.19Å; E98-R101 WeakPolarHBondContact O-CB 3.25Å; E98-R101 PolarHBondContact O-N 2.84Å; K99-R101 VanDerWaalsContact C-N 3.28Å; K99-R101 PolarHBondContact O-N 2.97Å; R101-F103 PolarHBondContact O-N 2.97Å; R101-F103 VanDerWaalsContact O-N 3.15Å; R101-R104 WeakPolarHBondContact O-CA 3.48Å; R101-R104 WeakPolarHBondContact O-CB 3.2Å; R101-R104 PolarHBondContact O-N 2.77Å; R101-E105 VanDerWaalsContact CD-OE1 3.32Å; R101-E105 WeakPolarHBondContact CD-OE1 3.24Å; R101-E105 VanDerWaalsContact CG-OE1 3.27Å; R101-E105 WeakPolarHBondContact CG-OE1 3.37Å; R101-E105 WeakPolarHBondContact O-CG 3.38Å; R101-E105 PolarHBondContact O-N 2.74Å
102	A	76.3	Confident	75.1	Confident	54 Å²	54	104.6 Å²	104.6	45%	0.446	49%	0.491	S	S	.	.	H	α-helix	trans	-55.6	-33.5	175.1	0	0	0	0	0	113.3	E98 E105 K106	E98-A102 PolarHBondContact O-N 2.77Å; A102-E105 VanDerWaalsContact CA-OE2 3.25Å; A102-E105 WeakPolarHBondContact CA-OE2 3.47Å; A102-E105 PolarHBondContact N-OE2 2.71Å; A102-K106 VanDerWaalsContact O-CB 3.28Å; A102-K106 WeakPolarHBondContact O-CB 3.13Å; A102-K106 PolarHBondContact O-N 2.92Å
103	F	69.6	Low	74.7	Confident	135 Å²	135	103.9 Å²	103.9	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-68.8	-34.7	174	-176.4	-107.7	0	0	0	113.6	K99 R101 I107	K99-F103 VanDerWaalsContact O-CB 3.3Å; K99-F103 WeakPolarHBondContact O-CB 3.41Å; K99-F103 PolarHBondContact O-N 3.35Å; K99-F103 VanDerWaalsContact O-N 3.1Å; R101-F103 PolarHBondContact O-N 2.97Å; R101-F103 VanDerWaalsContact O-N 3.15Å; F103-I107 HydrophobicContact CD1-CD1 4.01Å; F103-I107 HydrophobicContact CE1-CD1 3.51Å; F103-I107 HydrophobicContact CE2-CD1 4.44Å; F103-I107 HydrophobicContact CZ-CD1 3.75Å; F103-I107 WeakPolarHBondContact O-CG1 3.35Å; F103-I107 PolarHBondContact O-N 2.93Å
104	R	72.6	Confident	73.8	Confident	148 Å²	148	99.8 Å²	99.8	56%	0.558	47%	0.472	S	S	*	.	H	α-helix	trans	-73.9	-49.3	174.8	-82.9	176.4	-75.7	175.5	-0.1	111	N100 R101 K106 I107 D108	N100-R104 PolarHBondContact O-NE 3.38Å; N100-R104 PolarHBondContact O-NH2 3.48Å; N100-R104 VanDerWaalsContact O-NH2 3.15Å; R101-R104 WeakPolarHBondContact O-CA 3.48Å; R101-R104 WeakPolarHBondContact O-CB 3.2Å; R101-R104 PolarHBondContact O-N 2.77Å; R104-K106 PolarHBondContact O-N 2.92Å; R104-K106 VanDerWaalsContact O-N 3.13Å; R104-I107 CarbonylContact O-C 3.54Å; R104-I107 WeakPolarHBondContact O-CA 3.34Å; R104-I107 WeakPolarHBondContact O-CB 3.29Å; R104-I107 PolarHBondContact O-N 2.68Å; R104-D108 VanDerWaalsContact O-CG 3.3Å; R104-D108 PolarHBondContact O-N 2.98Å
105	E	76.5	Confident	73.2	Confident	108 Å²	108	99.5 Å²	99.5	51%	0.505	47%	0.473	S	S	.	.	H	α-helix	trans	-52.1	-38.6	175.1	-68.4	158.3	172.3	0	0	111.5	R101 A102 F109	R101-E105 VanDerWaalsContact CD-OE1 3.32Å; R101-E105 WeakPolarHBondContact CD-OE1 3.24Å; R101-E105 VanDerWaalsContact CG-OE1 3.27Å; R101-E105 WeakPolarHBondContact CG-OE1 3.37Å; R101-E105 WeakPolarHBondContact O-CG 3.38Å; R101-E105 PolarHBondContact O-N 2.74Å; A102-E105 VanDerWaalsContact CA-OE2 3.25Å; A102-E105 WeakPolarHBondContact CA-OE2 3.47Å; A102-E105 PolarHBondContact N-OE2 2.71Å; E105-F109 VanDerWaalsContact O-CB 3.31Å; E105-F109 WeakPolarHBondContact O-CB 3.32Å; E105-F109 PolarHBondContact O-N 2.98Å
106	K	72.7	Confident	72.7	Confident	133 Å²	133	102.1 Å²	102.1	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-68.8	-37.4	173.7	-174.8	167	-175.7	167.6	0	114.4	A102 R104 Q110	A102-K106 VanDerWaalsContact O-CB 3.28Å; A102-K106 WeakPolarHBondContact O-CB 3.13Å; A102-K106 PolarHBondContact O-N 2.92Å; R104-K106 PolarHBondContact O-N 2.92Å; R104-K106 VanDerWaalsContact O-N 3.13Å; K106-Q110 WeakPolarHBondContact O-CB 3.34Å; K106-Q110 VanDerWaalsContact O-CG 3.29Å; K106-Q110 WeakPolarHBondContact O-CG 3.09Å; K106-Q110 PolarHBondContact O-N 3.35Å; K106-Q110 VanDerWaalsContact O-N 3.08Å
107	I	72.5	Confident	72.4	Confident	74 Å²	74	99.1 Å²	99.1	38%	0.379	47%	0.473	S	S	.	.	H	α-helix	trans	-67.5	-45.1	174.1	-73.5	169.4	0	0	0	110.1	F103 R104 F109 Q110 H111	F103-I107 HydrophobicContact CD1-CD1 4.01Å; F103-I107 HydrophobicContact CE1-CD1 3.51Å; F103-I107 HydrophobicContact CE2-CD1 4.44Å; F103-I107 HydrophobicContact CZ-CD1 3.75Å; F103-I107 WeakPolarHBondContact O-CG1 3.35Å; F103-I107 PolarHBondContact O-N 2.93Å; R104-I107 CarbonylContact O-C 3.54Å; R104-I107 WeakPolarHBondContact O-CA 3.34Å; R104-I107 WeakPolarHBondContact O-CB 3.29Å; R104-I107 PolarHBondContact O-N 2.68Å; I107-F109 VanDerWaalsContact C-N 3.35Å; I107-F109 PolarHBondContact O-N 3.47Å; I107-Q110 PolarHBondContact O-N 3.39Å; I107-H111 WeakPolarHBondContact O-CB 3.3Å; I107-H111 PolarHBondContact O-N 2.9Å
108	D	67.6	Low	71.5	Confident	102 Å²	102	95.9 Å²	95.9	55%	0.545	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-40.7	-179	-61.1	-36.2	0	0	0	110.7	R104 H111 A112	R104-D108 VanDerWaalsContact O-CG 3.3Å; R104-D108 PolarHBondContact O-N 2.98Å; D108-H111 PolarHBondContact O-N 3.32Å; D108-A112 WeakPolarHBondContact O-CB 3.21Å; D108-A112 PolarHBondContact O-N 3.21Å
109	F	68.6	Low	70.9	Confident	144 Å²	144	97.3 Å²	97.3	63%	0.632	47%	0.466	S	S	*	.	H	α-helix	trans	-61.4	-44.9	170.9	-177.4	-91.9	0	0	0	112.7	E105 I107 H111 A112 H113	E105-F109 VanDerWaalsContact O-CB 3.31Å; E105-F109 WeakPolarHBondContact O-CB 3.32Å; E105-F109 PolarHBondContact O-N 2.98Å; I107-F109 VanDerWaalsContact C-N 3.35Å; I107-F109 PolarHBondContact O-N 3.47Å; F109-H111 VanDerWaalsContact C-N 3.31Å; F109-H111 PolarHBondContact O-N 2.55Å; F109-A112 PolarHBondContact O-N 3.39Å; F109-H113 WeakPolarHBondContact O-CB 3.42Å; F109-H113 PolarHBondContact O-N 3.39Å
110	Q	65.7	Low	70.6	Confident	95 Å²	95	99.1 Å²	99.1	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-65.6	-33.7	176.8	-75.4	-179.7	-30.1	0	0	112.5	K106 I107 G114 W137	K106-Q110 WeakPolarHBondContact O-CB 3.34Å; K106-Q110 VanDerWaalsContact O-CG 3.29Å; K106-Q110 WeakPolarHBondContact O-CG 3.09Å; K106-Q110 PolarHBondContact O-N 3.35Å; K106-Q110 VanDerWaalsContact O-N 3.08Å; I107-Q110 PolarHBondContact O-N 3.39Å; Q110-G114 PolarHBondContact O-N 3.33Å; Q110-W137 HydrophobicContact CB-CH2 4.21Å
111	H	68.4	Low	70	Confident	83 Å²	83	96 Å²	96	38%	0.384	46%	0.457	S	S	.	.	H	α-helix	trans	-70.2	-40.8	174.5	-169.9	-76.7	0	0	0	111.8	I107 D108 F109 G114 L115	I107-H111 WeakPolarHBondContact O-CB 3.3Å; I107-H111 PolarHBondContact O-N 2.9Å; D108-H111 PolarHBondContact O-N 3.32Å; F109-H111 VanDerWaalsContact C-N 3.31Å; F109-H111 PolarHBondContact O-N 2.55Å; H111-G114 PolarHBondContact O-N 3.43Å; H111-L115 WeakPolarHBondContact O-CG 3.43Å; H111-L115 PolarHBondContact O-N 3.24Å; H111-L115 VanDerWaalsContact O-N 3.07Å
112	A	71.1	Confident	68.6	Low	53 Å²	53	99.1 Å²	99.1	44%	0.438	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-47.2	173.9	0	0	0	0	0	112	D108 F109 G114 L115 Q116	D108-A112 WeakPolarHBondContact O-CB 3.21Å; D108-A112 PolarHBondContact O-N 3.21Å; F109-A112 PolarHBondContact O-N 3.39Å; A112-G114 VanDerWaalsContact C-N 3.31Å; A112-G114 PolarHBondContact O-N 3.31Å; A112-L115 WeakPolarHBondContact O-CB 3.48Å; A112-L115 PolarHBondContact O-N 2.97Å; A112-L115 VanDerWaalsContact O-N 3.14Å; A112-Q116 PolarHBondContact O-N 2.58Å
113	H	68.3	Low	67.7	Low	91 Å²	91	100.1 Å²	100.1	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-60.2	-39.5	175.1	-170.8	-32.8	0	0	0	111.8	F109 L115 Q116 E117	F109-H113 WeakPolarHBondContact O-CB 3.42Å; F109-H113 PolarHBondContact O-N 3.39Å; H113-L115 VanDerWaalsContact C-N 3.34Å; H113-L115 PolarHBondContact O-N 3.02Å; H113-Q116 PolarHBondContact O-N 3.33Å; H113-E117 IonicContact CE1-OE1 2.7Å; H113-E117 PolarHBondContact CE1-OE1 3.15Å; H113-E117 IonicContact ND1-OE1 3.24Å; H113-E117 WeakPolarHBondContact O-CG 3.46Å; H113-E117 PolarHBondContact O-N 3.34Å
114	G	68.3	Low	67.3	Low	8 Å²	8	99.8 Å²	99.8	8%	0.082	48%	0.484	C	S	.	.	H	α-helix	trans	-64	-35.7	174.9	0	0	0	0	0	113.5	Q110 H111 A112 L118 V134	Q110-G114 PolarHBondContact O-N 3.33Å; H111-G114 PolarHBondContact O-N 3.43Å; A112-G114 VanDerWaalsContact C-N 3.31Å; A112-G114 PolarHBondContact O-N 3.31Å; G114-L118 WeakPolarHBondContact O-CG 3.37Å; G114-L118 PolarHBondContact O-N 3.33Å; G114-V134 WeakPolarHBondContact O-CG1 3.39Å
115	L	72.5	Confident	66.4	Low	87 Å²	87	96.9 Å²	96.9	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-69.2	-43.1	173.2	-74.3	165	0	0	0	111.8	H111 A112 H113 L118 E119 L138	H111-L115 WeakPolarHBondContact O-CG 3.43Å; H111-L115 PolarHBondContact O-N 3.24Å; H111-L115 VanDerWaalsContact O-N 3.07Å; A112-L115 WeakPolarHBondContact O-CB 3.48Å; A112-L115 PolarHBondContact O-N 2.97Å; A112-L115 VanDerWaalsContact O-N 3.14Å; H113-L115 VanDerWaalsContact C-N 3.34Å; H113-L115 PolarHBondContact O-N 3.02Å; L115-L118 WeakPolarHBondContact O-CB 3.37Å; L115-L118 PolarHBondContact O-N 3.43Å; L115-L118 VanDerWaalsContact O-N 3.15Å; L115-E119 PolarHBondContact O-N 3.43Å; L115-E119 VanDerWaalsContact O-N 3.13Å; L115-L138 HydrophobicContact CD2-CD1 3.69Å; L115-L138 HydrophobicContact CG-CD1 3.9Å
116	Q	68.4	Low	65.4	Low	142 Å²	142	98.9 Å²	98.9	66%	0.664	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-43.3	179.9	-169.8	173.4	5.3	0	0	112.1	A112 H113 L118 E119 F120	A112-Q116 PolarHBondContact O-N 2.58Å; H113-Q116 PolarHBondContact O-N 3.33Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-L118 PolarHBondContact O-N 3.29Å; Q116-E119 PolarHBondContact O-N 2.87Å; Q116-F120 PolarHBondContact O-N 3.22Å
117	E	66.6	Low	64.9	Low	78 Å²	78	95.3 Å²	95.3	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-61	-38.6	172.6	-72.8	-67.1	158	0	0	112.3	H113 E119 F120 I121	H113-E117 IonicContact CE1-OE1 2.7Å; H113-E117 PolarHBondContact CE1-OE1 3.15Å; H113-E117 IonicContact ND1-OE1 3.24Å; H113-E117 WeakPolarHBondContact O-CG 3.46Å; H113-E117 PolarHBondContact O-N 3.34Å; E117-E119 VanDerWaalsContact C-N 3.32Å; E117-E119 PolarHBondContact O-N 2.92Å; E117-F120 PolarHBondContact O-N 3.4Å; E117-I121 HydrophobicContact CB-CD1 4.47Å; E117-I121 WeakPolarHBondContact O-CB 3.29Å; E117-I121 WeakPolarHBondContact O-CD1 3.05Å; E117-I121 WeakPolarHBondContact O-CG1 3.18Å; E117-I121 PolarHBondContact O-N 3.44Å
118	L	65.1	Low	64.3	Low	25 Å²	25	96.3 Å²	96.3	13%	0.131	49%	0.493	C	S	.	.	H	α-helix	trans	-67.6	-29.2	176.9	-78.3	-177.4	0	0	0	114	G114 L115 Q116 R131 V134 D135 L138	G114-L118 WeakPolarHBondContact O-CG 3.37Å; G114-L118 PolarHBondContact O-N 3.33Å; L115-L118 WeakPolarHBondContact O-CB 3.37Å; L115-L118 PolarHBondContact O-N 3.43Å; L115-L118 VanDerWaalsContact O-N 3.15Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-L118 PolarHBondContact O-N 3.29Å; L118-R131 HydrophobicContact CD2-CB 4.34Å; L118-R131 HydrophobicContact CD2-CG 3.54Å; L118-R131 VanDerWaalsContact CD2-O 3.27Å; L118-R131 WeakPolarHBondContact CD2-O 3.04Å; L118-V134 HydrophobicContact CD1-CG1 4.11Å; L118-V134 HydrophobicContact CD2-CB 3.87Å; L118-V134 HydrophobicContact CD2-CG1 4.15Å; L118-V134 HydrophobicContact CG-CB 4.08Å; L118-V134 HydrophobicContact CG-CG1 3.78Å; L118-D135 HydrophobicContact CD1-CB 4.19Å; L118-D135 HydrophobicContact CD2-CB 4.31Å; L118-L138 HydrophobicContact CD1-CD1 3.49Å; L118-L138 VanDerWaalsContact CD1-CD1 3.49Å; L118-L138 HydrophobicContact CG-CD1 4.49Å
119	E	69.7	Low	63.9	Low	139 Å²	139	95 Å²	95	65%	0.65	50%	0.496	S	S	*	.	H	α-helix	trans	-75.7	-39.4	171.8	-63.9	-153.9	125.9	0	0	111.5	L115 Q116 E117 R122	L115-E119 PolarHBondContact O-N 3.43Å; L115-E119 VanDerWaalsContact O-N 3.13Å; Q116-E119 PolarHBondContact O-N 2.87Å; E117-E119 VanDerWaalsContact C-N 3.32Å; E117-E119 PolarHBondContact O-N 2.92Å; E119-R122 WeakPolarHBondContact O-CB 3.31Å; E119-R122 PolarHBondContact O-N 3.5Å
120	F	63.2	Low	63.4	Low	168 Å²	168	90.4 Å²	90.4	74%	0.737	49%	0.485	S	S	*	.	H	α-helix	trans	-63.3	-41.5	175.9	-171.8	-105.2	0	0	0	112.7	Q116 E117 R122	Q116-F120 PolarHBondContact O-N 3.22Å; E117-F120 PolarHBondContact O-N 3.4Å; F120-R122 PolarHBondContact O-N 3.04Å
121	I	63.4	Low	63.7	Low	18 Å²	18	89 Å²	89	9%	0.092	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.4	-179.9	-65.6	165.4	0	0	0	112.4	E117 G123 H124 R131	E117-I121 HydrophobicContact CB-CD1 4.47Å; E117-I121 WeakPolarHBondContact O-CB 3.29Å; E117-I121 WeakPolarHBondContact O-CD1 3.05Å; E117-I121 WeakPolarHBondContact O-CG1 3.18Å; E117-I121 PolarHBondContact O-N 3.44Å; I121-G123 VanDerWaalsContact C-N 3.34Å; I121-G123 PolarHBondContact O-N 3.26Å; I121-H124 PolarHBondContact O-N 2.94Å; I121-R131 HydrophobicContact CB-CG 4.34Å; I121-R131 HydrophobicContact CG2-CB 3.59Å; I121-R131 HydrophobicContact CG2-CG 3.73Å
122	R	54.7	Low	63.6	Low	196 Å²	196	89.5 Å²	89.5	74%	0.74	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	70.6	-169.2	-162.8	-177	-177.9	172.1	1.6	114.7	E119 F120	E119-R122 WeakPolarHBondContact O-CB 3.31Å; E119-R122 PolarHBondContact O-N 3.5Å; F120-R122 PolarHBondContact O-N 3.04Å
123	G	57	Low	63.2	Low	75 Å²	75	91.2 Å²	91.2	77%	0.773	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	161.6	-10.5	171.7	0	0	0	0	0	115	I121	I121-G123 VanDerWaalsContact C-N 3.34Å; I121-G123 PolarHBondContact O-N 3.26Å
124	H	60.9	Low	63.2	Low	128 Å²	128	88.8 Å²	88.8	59%	0.593	48%	0.48	S	S	*	.			trans	-94.3	129.4	-176.6	-64.6	-93.4	0	0	0	110.8	I121 T127	I121-H124 PolarHBondContact O-N 2.94Å; H124-T127 WeakPolarHBondContact CB-OG1 3.36Å
125	S	52.8	Low	63.2	Low	88 Å²	88	90.3 Å²	90.3	62%	0.615	49%	0.487	S	S	*	.	S	Bend	trans	-66.5	-37.9	178.8	43.1	0	0	0	0	112.7	T127 E128	S125-T127 VanDerWaalsContact C-N 3.32Å; S125-T127 PolarHBondContact O-N 2.68Å; S125-E128 WeakPolarHBondContact O-CB 3.33Å; S125-E128 PolarHBondContact O-N 3.33Å
126	D	56.6	Low	62.8	Low	150 Å²	150	92.8 Å²	92.8	80%	0.802	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-17.5	-161.2	-49.7	-19.7	0	0	0	111.6
127	T	62.9	Low	62.6	Low	58 Å²	58	92.2 Å²	92.2	36%	0.356	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	4.1	174.3	47.4	0	0	0	0	113.2	H124 S125 A129 A130 R131	H124-T127 WeakPolarHBondContact CB-OG1 3.36Å; S125-T127 VanDerWaalsContact C-N 3.32Å; S125-T127 PolarHBondContact O-N 2.68Å; T127-A129 PolarHBondContact O-N 3.06Å; T127-A130 WeakPolarHBondContact O-CA 3.36Å; T127-A130 WeakPolarHBondContact O-CB 3.35Å; T127-A130 PolarHBondContact O-N 3.32Å; T127-R131 PolarHBondContact O-N 2.99Å
128	E	58.3	Low	62.5	Low	95 Å²	95	90 Å²	90	44%	0.444	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-29	-178	-178.6	154.8	-132.6	0	0	113	S125 R131 L132	S125-E128 WeakPolarHBondContact O-CB 3.33Å; S125-E128 PolarHBondContact O-N 3.33Å; E128-R131 WeakPolarHBondContact O-CB 3.5Å; E128-R131 PolarHBondContact O-N 3.12Å; E128-R131 IonicContact OE1-CZ 3.97Å; E128-R131 IonicContact OE1-NE 2.7Å; E128-R131 IonicContact OE1-NH2 3.2Å; E128-R131 PolarHBondContact OE1-NH2 3.45Å; E128-L132 HydrophobicContact CG-CD1 4.34Å; E128-L132 HydrophobicContact CG-CG 4.48Å; E128-L132 WeakPolarHBondContact O-CG 3.02Å; E128-L132 PolarHBondContact O-N 3.43Å
129	A	59.1	Low	62.4	Low	73 Å²	73	95.2 Å²	95.2	60%	0.603	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-40.9	171.9	0	0	0	0	0	112.6	T127 L132 C133	T127-A129 PolarHBondContact O-N 3.06Å; A129-L132 PolarHBondContact O-N 3.22Å; A129-C133 PolarHBondContact O-N 3.17Å; A129-C133 VanDerWaalsContact O-N 3.1Å
130	A	59.8	Low	61.3	Low	49 Å²	49	94.9 Å²	94.9	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-67.3	-41	173.9	0	0	0	0	0	110.8	T127 L132 C133 V134	T127-A130 WeakPolarHBondContact O-CA 3.36Å; T127-A130 WeakPolarHBondContact O-CB 3.35Å; T127-A130 PolarHBondContact O-N 3.32Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 PolarHBondContact O-N 3.1Å; A130-C133 PolarHBondContact O-N 3.41Å; A130-C133 VanDerWaalsContact O-N 3.11Å; A130-V134 PolarHBondContact O-N 2.97Å
131	R	71.5	Confident	60.3	Low	66 Å²	66	92.7 Å²	92.7	25%	0.249	50%	0.503	C	S	.	.	H	α-helix	trans	-54.4	-46	173.3	-152.6	-175.9	62.8	68.7	1.2	111.7	L118 I121 T127 E128 V134 D135	L118-R131 HydrophobicContact CD2-CB 4.34Å; L118-R131 HydrophobicContact CD2-CG 3.54Å; L118-R131 VanDerWaalsContact CD2-O 3.27Å; L118-R131 WeakPolarHBondContact CD2-O 3.04Å; I121-R131 HydrophobicContact CB-CG 4.34Å; I121-R131 HydrophobicContact CG2-CB 3.59Å; I121-R131 HydrophobicContact CG2-CG 3.73Å; T127-R131 PolarHBondContact O-N 2.99Å; E128-R131 WeakPolarHBondContact O-CB 3.5Å; E128-R131 PolarHBondContact O-N 3.12Å; E128-R131 IonicContact OE1-CZ 3.97Å; E128-R131 IonicContact OE1-NE 2.7Å; E128-R131 IonicContact OE1-NH2 3.2Å; E128-R131 PolarHBondContact OE1-NH2 3.45Å; R131-V134 PolarHBondContact O-N 3.46Å; R131-D135 WeakPolarHBondContact O-CB 3.5Å; R131-D135 PolarHBondContact O-N 3.2Å
132	L	65.1	Low	59.5	Low	92 Å²	92	95 Å²	95	48%	0.482	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-37.6	177.5	-72.6	167.8	0	0	0	112.3	E128 A129 A130 Q136	E128-L132 HydrophobicContact CG-CD1 4.34Å; E128-L132 HydrophobicContact CG-CG 4.48Å; E128-L132 WeakPolarHBondContact O-CG 3.02Å; E128-L132 PolarHBondContact O-N 3.43Å; A129-L132 PolarHBondContact O-N 3.22Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 PolarHBondContact O-N 3.1Å; L132-Q136 WeakPolarHBondContact O-CB 3.24Å; L132-Q136 PolarHBondContact O-N 3.39Å
133	C	63.6	Low	58.7	Low	90 Å²	90	94.2 Å²	94.2	61%	0.608	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-41.8	175.7	-74.4	0	0	0	0	113.3	A129 A130 W137	A129-C133 PolarHBondContact O-N 3.17Å; A129-C133 VanDerWaalsContact O-N 3.1Å; A130-C133 PolarHBondContact O-N 3.41Å; A130-C133 VanDerWaalsContact O-N 3.11Å; C133-W137 WeakPolarHBondContact O-CB 3.31Å; C133-W137 PolarHBondContact O-N 2.81Å
134	V	67.6	Low	57.6	Low	39 Å²	39	99.6 Å²	99.6	24%	0.236	54%	0.542	C	S	.	.	H	α-helix	trans	-73.7	-39.3	178.5	-176.9	0	0	0	0	111.2	G114 L118 A130 R131 Q136 W137 L138	G114-V134 WeakPolarHBondContact O-CG1 3.39Å; L118-V134 HydrophobicContact CD1-CG1 4.11Å; L118-V134 HydrophobicContact CD2-CB 3.87Å; L118-V134 HydrophobicContact CD2-CG1 4.15Å; L118-V134 HydrophobicContact CG-CB 4.08Å; L118-V134 HydrophobicContact CG-CG1 3.78Å; A130-V134 PolarHBondContact O-N 2.97Å; R131-V134 PolarHBondContact O-N 3.46Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 2.79Å; V134-W137 PolarHBondContact O-N 2.92Å; V134-W137 VanDerWaalsContact O-N 3.12Å; V134-L138 HydrophobicContact CG1-CD1 4.36Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.26Å
135	D	67.8	Low	56.3	Low	41 Å²	41	100.7 Å²	100.7	22%	0.219	56%	0.558	C	S	.	*	H	α-helix	trans	-62	-38.5	172.9	178.8	71.9	0	0	0	112.1	L118 R131 K139	L118-D135 HydrophobicContact CD1-CB 4.19Å; L118-D135 HydrophobicContact CD2-CB 4.31Å; R131-D135 WeakPolarHBondContact O-CB 3.5Å; R131-D135 PolarHBondContact O-N 3.2Å; D135-K139 WeakPolarHBondContact O-CB 3.46Å; D135-K139 WeakPolarHBondContact O-CD 3.3Å; D135-K139 WeakPolarHBondContact O-CG 3.36Å; D135-K139 PolarHBondContact O-N 3.48Å; D135-K139 WeakPolarHBondContact OD1-CE 3.48Å; D135-K139 IonicContact OD1-NZ 3.57Å; D135-K139 PolarHBondContact OD1-NZ 2.96Å; D135-K139 IonicContact OD2-NZ 3.51Å; D135-K139 PolarHBondContact OD2-NZ 3.04Å
136	Q	64.5	Low	55.6	Low	138 Å²	138	99.8 Å²	99.8	65%	0.645	56%	0.562	S	S	*	*	H	α-helix	trans	-64.9	-38.5	171.7	-176.6	81.2	60.1	0	0	111.9	L132 V134 M140	L132-Q136 WeakPolarHBondContact O-CB 3.24Å; L132-Q136 PolarHBondContact O-N 3.39Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 2.79Å; Q136-M140 PolarHBondContact O-N 2.8Å
137	W	65.6	Low	54.2	Low	130 Å²	130	97.8 Å²	97.8	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-70.1	-47	179.7	-177.4	78	0	0	0	112.3	Q110 C133 V134 K139 M140	Q110-W137 HydrophobicContact CB-CH2 4.21Å; C133-W137 WeakPolarHBondContact O-CB 3.31Å; C133-W137 PolarHBondContact O-N 2.81Å; V134-W137 PolarHBondContact O-N 2.92Å; V134-W137 VanDerWaalsContact O-N 3.12Å; W137-K139 PolarHBondContact O-N 3Å; W137-M140 VanDerWaalsContact O-CB 3.22Å; W137-M140 WeakPolarHBondContact O-CB 3.26Å; W137-M140 WeakPolarHBondContact O-CG 3.47Å; W137-M140 PolarHBondContact O-N 2.88Å
138	L	63.2	Low	52.9	Low	31 Å²	31	101.4 Å²	101.4	16%	0.162	58%	0.577	C	S	.	*	H	α-helix	trans	-65.5	-22.3	175.8	-64.1	174.9	0	0	0	113.1	L115 L118 V134 M140	L115-L138 HydrophobicContact CD2-CD1 3.69Å; L115-L138 HydrophobicContact CG-CD1 3.9Å; L118-L138 HydrophobicContact CD1-CD1 3.49Å; L118-L138 VanDerWaalsContact CD1-CD1 3.49Å; L118-L138 HydrophobicContact CG-CD1 4.49Å; V134-L138 HydrophobicContact CG1-CD1 4.36Å; V134-L138 HydrophobicContact CG1-CG 4.47Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.26Å; L138-M140 VanDerWaalsContact C-N 3.32Å
139	K	62.3	Low	51.4	Low	136 Å²	136	104 Å²	104	59%	0.591	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-1.3	173.8	-73.1	170.5	-172.4	167	0	114	D135 W137 P141	D135-K139 WeakPolarHBondContact O-CB 3.46Å; D135-K139 WeakPolarHBondContact O-CD 3.3Å; D135-K139 WeakPolarHBondContact O-CG 3.36Å; D135-K139 PolarHBondContact O-N 3.48Å; D135-K139 WeakPolarHBondContact OD1-CE 3.48Å; D135-K139 IonicContact OD1-NZ 3.57Å; D135-K139 PolarHBondContact OD1-NZ 2.96Å; D135-K139 IonicContact OD2-NZ 3.51Å; D135-K139 PolarHBondContact OD2-NZ 3.04Å; W137-K139 PolarHBondContact O-N 3Å; K139-P141 WeakPolarHBondContact O-CD 3.48Å
140	M	47.8	Very low	50.1	Low	131 Å²	131	105.9 Å²	105.9	65%	0.645	60%	0.603	S	S	*	*	S	Bend	trans	-69.7	118.5	169.2	-66.2	-78.2	-76.6	0	0	109.1	Q136 W137 L138 G142	Q136-M140 PolarHBondContact O-N 2.8Å; W137-M140 VanDerWaalsContact O-CB 3.22Å; W137-M140 WeakPolarHBondContact O-CB 3.26Å; W137-M140 WeakPolarHBondContact O-CG 3.47Å; W137-M140 PolarHBondContact O-N 2.88Å; L138-M140 VanDerWaalsContact C-N 3.32Å; M140-G142 PolarHBondContact O-N 3.13Å; M140-G142 VanDerWaalsContact O-N 3.12Å
141	P	42.9	Very low	48.8	Very low	123 Å²	123	106.7 Å²	106.7	80%	0.799	62%	0.616	S	S	*	*			trans	-67.9	115.6	-179.4	27	-33.5	0	0	0	110.4	K139	K139-P141 WeakPolarHBondContact O-CD 3.48Å
142	G	45.3	Very low	46.8	Very low	65 Å²	65	110.4 Å²	110.4	67%	0.67	65%	0.647	S	S	*	*			trans	-56.6	138.1	175	0	0	0	0	0	112.2	M140 K144	M140-G142 PolarHBondContact O-N 3.13Å; M140-G142 VanDerWaalsContact O-N 3.12Å; G142-K144 PolarHBondContact O-N 2.78Å
143	L	38.5	Very low	45.7	Very low	180 Å²	180	115.9 Å²	115.9	94%	0.942	67%	0.666	S	S	*	*			trans	-63	100	-179.7	-84.9	163.7	0	0	0	111.1	T145	L143-T145 PolarHBondContact O-N 3.03Å
144	K	34.1	Very low	43.9	Very low	188 Å²	188	116.2 Å²	116.2	82%	0.817	67%	0.67	S	S	*	*			trans	-72	115.9	171.7	-67.6	-170.9	179.7	-174.6	0	110.2	G142 G146	G142-K144 PolarHBondContact O-N 2.78Å; K144-G146 PolarHBondContact O-N 3.12Å
145	T	32.5	Very low	42.4	Very low	151 Å²	151	119.7 Å²	119.7	93%	0.926	70%	0.696	S	S	*	*	S	Bend	trans	-63.1	116.1	171.4	-46.7	0	0	0	0	110.2	L143	L143-T145 PolarHBondContact O-N 3.03Å
146	G	39.6	Very low	40.5	Very low	69 Å²	69	127 Å²	127	71%	0.711	73%	0.726	S	S	*	*	S	Bend	trans	95.2	51.7	166	0	0	0	0	0	117.3	K144	K144-G146 PolarHBondContact O-N 3.12Å
147	T	25.9	Very low	39	Very low	108 Å²	108	131.7 Å²	131.7	66%	0.663	74%	0.738	S	S	*	*			trans	-146.5	123	153.6	-53.7	0	0	0	0	110.5	N149	T147-N149 PolarHBondContact O-N 3.46Å
148	V	35.9	Very low	37.8	Very low	134 Å²	134	136.9 Å²	136.9	81%	0.812	76%	0.757	S	S	*	*			trans	-86.1	93.9	174.8	-179.7	0	0	0	0	109.1
149	N	26.5	Very low	36	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	78%	0.779	S	S	*	*			trans	-94.3	89.9	168.4	-83.2	1.4	0	0	0	110	T147	T147-N149 PolarHBondContact O-N 3.46Å
150	S	32.9	Very low	34.4	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	79%	0.79	S	S	*	*			trans	-78.9	124.8	166.8	43.6	0	0	0	0	110.3
151	G	30.8	Very low	33.8	Very low	66 Å²	66	138.1 Å²	138.1	68%	0.68	80%	0.8	S	S	*	*			trans	147.9	131.3	161	0	0	0	0	0	118.3
152	T	29.7	Very low	33.1	Very low	145 Å²	145	140.9 Å²	140.9	89%	0.89	81%	0.805	S	S	*	*			trans	77.9	115.2	148	-34.5	0	0	0	0	118.6
153	K	43.1	Very low	32.8	Very low	207 Å²	207	149.1 Å²	149.1	90%	0.9	82%	0.815	S	S	*	*			trans	-66	140.3	167.4	-60.7	171.6	179.8	175	0	110.5
154	S	24.9	Very low	32.9	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	81%	0.812	S	S	*	*			trans	-129.4	143.2	155	67.5	0	0	0	0	110.2
155	S	36.6	Very low	33.2	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	81%	0.811	S	S	*	*			trans	-100.5	104.2	-176.6	45	0	0	0	0	110.7
156	F	27.7	Very low	34	Very low	194 Å²	194	139.8 Å²	139.8	85%	0.851	80%	0.799	S	S	*	*			trans	-76.9	134.7	172.9	-85.4	-86.5	0	0	0	111.7
157	R	32.4	Very low	35	Very low	236 Å²	236	145.6 Å²	145.6	89%	0.891	81%	0.805	S	S	*	*			trans	-78	149.6	-169.1	-66.2	178.2	176.1	180	-1.5	111.3	G159	R157-G159 PolarHBondContact O-N 2.88Å
158	R	40.9	Very low	37.3	Very low	239 Å²	239	143.7 Å²	143.7	90%	0.902	80%	0.795	S	S	*	*			trans	-56.8	104.9	171.7	-178.7	-177.3	-66.6	-164.9	-1.3	110.8
159	G	26.1	Very low	39.5	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	77%	0.773	S	S	*	*			trans	-89.5	157.9	167.2	0	0	0	0	0	111.9	R157	R157-G159 PolarHBondContact O-N 2.88Å
160	G	28.6	Very low	42.2	Very low	79 Å²	79	138.2 Å²	138.2	81%	0.814	76%	0.76	S	S	*	*			trans	-47.3	132.1	-165.2	0	0	0	0	0	117.7	M162	G160-M162 PolarHBondContact O-N 3.24Å
161	Q	35.8	Very low	44.7	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.864	73%	0.726	S	S	*	*			trans	-72.6	103.1	158.4	-70.1	-178.7	-77.7	0	0	109.1	R163	Q161-R163 PolarHBondContact O-N 3.43Å
162	M	28	Very low	47	Very low	180 Å²	180	133.3 Å²	133.3	89%	0.887	71%	0.713	S	S	*	*			trans	-71.1	116	162.4	-76.3	-178.5	67.3	0	0	109	G160 V164	G160-M162 PolarHBondContact O-N 3.24Å; M162-V164 PolarHBondContact O-N 3.17Å
163	R	38.8	Very low	49.6	Very low	238 Å²	238	126.6 Å²	126.6	90%	0.898	67%	0.672	S	S	*	*			trans	-77	109.8	166	-76.2	-177.4	172.2	-173.8	-2.7	108.4	Q161 S165	Q161-R163 PolarHBondContact O-N 3.43Å; R163-S165 PolarHBondContact O-N 3.08Å
164	V	39.6	Very low	51.4	Low	142 Å²	142	120.6 Å²	120.6	86%	0.861	65%	0.648	S	S	*	*			trans	-67.5	122.7	160.9	-178.6	0	0	0	0	107.3	M162	M162-V164 PolarHBondContact O-N 3.17Å
165	S	41.2	Very low	54.2	Low	115 Å²	115	121.2 Å²	121.2	80%	0.804	64%	0.64	S	S	*	*			trans	-104.9	44.4	-170.4	60.7	0	0	0	0	113.5	R163	R163-S165 PolarHBondContact O-N 3.08Å
166	G	49.3	Very low	56.4	Low	66 Å²	66	115.8 Å²	115.8	68%	0.68	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-64.9	138.3	165.6	0	0	0	0	0	110.6
167	K	60.3	Low	58.9	Low	191 Å²	191	110.5 Å²	110.5	83%	0.83	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-81.1	136.4	165.8	-67.6	178.8	-178.4	173.8	0	108.1
168	P	74.8	Confident	61.3	Low	69 Å²	69	101.1 Å²	101.1	45%	0.448	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.5	174.2	26.5	-33.5	0	0	0	110.4	E179	P168-E179 HydrophobicContact CB-CB 4.15Å; P168-E179 HydrophobicContact CB-CG 4.38Å; P168-E179 WeakPolarHBondContact CG-OE2 3.26Å
169	I	82.1	Confident	63.2	Low	68 Å²	68	94.8 Å²	94.8	35%	0.349	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.4	-178.6	-48.2	180	0	0	0	108.5	E179 F180 L186	I169-E179 CarbonylContact O-C 3.58Å; I169-E179 WeakPolarHBondContact O-CA 3.33Å; I169-F180 PolarHBondContact N-O 2.96Å; I169-F180 PolarHBondContact O-N 3.17Å; I169-L186 HydrophobicContact CG2-CD2 3.69Å
170	L	82.7	Confident	65.8	Low	101 Å²	101	93.4 Å²	93.4	53%	0.529	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.7	177.7	-79.8	161.5	0	0	0	111.7	E179	L170-E179 HydrophobicContact CD2-CG 3.45Å; L170-E179 VanDerWaalsContact CD2-CG 3.45Å; L170-E179 HydrophobicContact CG-CG 4.08Å
171	C	84.5	Confident	68.1	Low	11 Å²	11	96.6 Å²	96.6	7%	0.074	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-63	128.6	168.9	-177.8	0	0	0	0	111.2	I173 C176 K178 F180 L186 H189	C171-I173 PolarHBondContact O-N 2.7Å; C171-C176 HydrophobicContact CB-CB 4.16Å; C171-K178 HydrophobicContact CB-CB 4.5Å; C171-K178 PolarHBondContact N-O 2.88Å; C171-F180 HydrophobicContact CB-CE2 4.29Å; C171-L186 HydrophobicContact CB-CD1 4.22Å; C171-H189 PolarHBondContact SG-NE2 3.04Å
172	P	80.6	Confident	70.1	Confident	64 Å²	64	91 Å²	91	42%	0.416	48%	0.48	S	S	.	.	S	Bend	trans	-73.9	-5.4	-177	30.1	-36.3	0	0	0	114.3
173	I	83.8	Confident	72.3	Confident	4 Å²	4	84.2 Å²	84.2	2%	0.021	46%	0.457	C	S	.	.	S	Bend	trans	-81.7	120.6	175.9	-56.6	-159.8	0	0	0	109.9	C171 H175 C176 V315 L330 P343 A345	C171-I173 PolarHBondContact O-N 2.7Å; I173-H175 PolarHBondContact O-N 3.21Å; I173-C176 HydrophobicContact CB-CB 4.16Å; I173-C176 WeakPolarHBondContact O-CB 3.44Å; I173-C176 PolarHBondContact O-N 2.78Å; I173-V315 HydrophobicContact CD1-CG1 4.37Å; I173-V315 HydrophobicContact CG2-CG1 4.29Å; I173-L330 HydrophobicContact CD1-CD1 3.55Å; I173-P343 HydrophobicContact CB-CG 4.44Å; I173-P343 HydrophobicContact CD1-CB 4.41Å; I173-P343 HydrophobicContact CD1-CG 4.32Å; I173-P343 HydrophobicContact CG1-CB 4.42Å; I173-P343 HydrophobicContact CG1-CG 3.92Å; I173-P343 HydrophobicContact CG2-CB 4.27Å; I173-P343 HydrophobicContact CG2-CG 4.42Å; I173-A345 HydrophobicContact CG2-CB 4.21Å
174	M	81.6	Confident	74	Confident	81 Å²	81	80.5 Å²	80.5	40%	0.399	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-57.2	138	-178.2	-71.5	172	-80.7	0	0	111.2	C176 V318 P343 V344 A345	M174-C176 PolarHBondContact O-N 3.27Å; M174-V318 HydrophobicContact CE-CG2 3.58Å; M174-P343 VanDerWaalsContact CE-O 3.26Å; M174-P343 WeakPolarHBondContact CE-O 3.49Å; M174-P343 PolarHBondContact N-O 3.13Å; M174-V344 HydrophobicContact CB-CB 4.1Å; M174-V344 HydrophobicContact CB-CG2 4Å; M174-V344 HydrophobicContact CE-CB 4.29Å; M174-A345 PolarHBondContact O-N 2.98Å
175	H	81.9	Confident	75.8	Confident	108 Å²	108	77.9 Å²	77.9	50%	0.5	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-4	-170.9	-47	143.1	0	0	0	117.2	I173 N177 P197 V344 A345	I173-H175 PolarHBondContact O-N 3.21Å; H175-N177 VanDerWaalsContact C-N 3.35Å; H175-N177 VanDerWaalsContact C-ND2 3.25Å; H175-N177 WeakPolarHBondContact CA-ND2 3.45Å; H175-N177 PolarHBondContact O-ND2 2.91Å; H175-P197 HydrophobicContact CB-CB 3.89Å; H175-P197 VanDerWaalsContact O-CB 3.32Å; H175-P197 WeakPolarHBondContact O-CB 3.26Å; H175-V344 VanDerWaalsContact ND1-CG2 3.31Å; H175-V344 WeakPolarHBondContact ND1-CG2 3.48Å; H175-A345 PolarHBondContact ND1-O 3.01Å; H175-A345 VanDerWaalsContact ND1-O 3.12Å
176	C	83.6	Confident	77.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.6	173.6	-171.6	0	0	0	0	112	C171 I173 M174 K178 H189 H195 I202	C171-C176 HydrophobicContact CB-CB 4.16Å; I173-C176 HydrophobicContact CB-CB 4.16Å; I173-C176 WeakPolarHBondContact O-CB 3.44Å; I173-C176 PolarHBondContact O-N 2.78Å; M174-C176 PolarHBondContact O-N 3.27Å; C176-K178 PolarHBondContact O-N 2.86Å; C176-H189 VanDerWaalsContact SG-CE1 3.55Å; C176-H189 PolarHBondContact SG-NE2 3.08Å; C176-H189 VanDerWaalsContact SG-NE2 3.36Å; C176-H195 HydrophobicContact CB-CB 4.33Å; C176-H195 PolarHBondContact SG-ND1 2.84Å; C176-H195 VanDerWaalsContact SG-ND1 3.38Å; C176-I202 VanDerWaalsContact O-CD1 3.24Å; C176-I202 WeakPolarHBondContact O-CD1 3.43Å
177	N	80.3	Confident	78.8	Confident	82 Å²	82	73.4 Å²	73.4	44%	0.439	38%	0.381	S	S	.	.			trans	53.5	12.1	172.6	-61.3	-70.9	0	0	0	117	H175 I202	H175-N177 VanDerWaalsContact C-N 3.35Å; H175-N177 VanDerWaalsContact C-ND2 3.25Å; H175-N177 WeakPolarHBondContact CA-ND2 3.45Å; H175-N177 PolarHBondContact O-ND2 2.91Å; N177-I202 VanDerWaalsContact C-CD1 3.49Å; N177-I202 HydrophobicContact CB-CD1 3.86Å; N177-I202 WeakPolarHBondContact O-CD1 3.47Å
178	K	83.3	Confident	79.5	Confident	40 Å²	40	65.6 Å²	65.6	17%	0.174	36%	0.355	C	S	.	.			trans	-80.3	134.7	-179.4	-70.2	-178.4	-177.6	-67.6	0	110.6	C171 C176 F180 D199 I202	C171-K178 HydrophobicContact CB-CB 4.5Å; C171-K178 PolarHBondContact N-O 2.88Å; C176-K178 PolarHBondContact O-N 2.86Å; K178-F180 HydrophobicContact CB-CE2 3.72Å; K178-F180 HydrophobicContact CB-CZ 3.74Å; K178-F180 HydrophobicContact CD-CZ 4.45Å; K178-D199 IonicContact NZ-OD2 2.66Å; K178-D199 PolarHBondContact NZ-OD2 3.43Å; K178-I202 HydrophobicContact CB-CD1 4.43Å; K178-I202 HydrophobicContact CG-CD1 3.61Å; K178-I202 HydrophobicContact CG-CG1 4.09Å
179	E	81.4	Confident	79.9	Confident	106 Å²	106	63 Å²	63	50%	0.495	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.3	176.9	-73.4	179.7	-149.8	0	0	110.8	P168 I169 L170	P168-E179 HydrophobicContact CB-CB 4.15Å; P168-E179 HydrophobicContact CB-CG 4.38Å; P168-E179 WeakPolarHBondContact CG-OE2 3.26Å; I169-E179 CarbonylContact O-C 3.58Å; I169-E179 WeakPolarHBondContact O-CA 3.33Å; L170-E179 HydrophobicContact CD2-CG 3.45Å; L170-E179 VanDerWaalsContact CD2-CG 3.45Å; L170-E179 HydrophobicContact CG-CG 4.08Å
180	F	80.6	Confident	79.8	Confident	32 Å²	32	61 Å²	61	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.8	-177	-60.4	-79.5	0	0	0	111.8	I169 C171 K178 N182 L185 L186 H189	I169-F180 PolarHBondContact N-O 2.96Å; I169-F180 PolarHBondContact O-N 3.17Å; C171-F180 HydrophobicContact CB-CE2 4.29Å; K178-F180 HydrophobicContact CB-CE2 3.72Å; K178-F180 HydrophobicContact CB-CZ 3.74Å; K178-F180 HydrophobicContact CD-CZ 4.45Å; F180-N182 VanDerWaalsContact C-N 3.3Å; F180-N182 PolarHBondContact O-N 3.5Å; F180-L185 HydrophobicContact CB-CB 4.23Å; F180-L185 HydrophobicContact CD1-CB 3.82Å; F180-L185 HydrophobicContact CG-CB 4.36Å; F180-L186 HydrophobicContact CB-CB 4.32Å; F180-L186 HydrophobicContact CD2-CB 3.9Å; F180-L186 HydrophobicContact CD2-CD1 3.85Å; F180-L186 HydrophobicContact CD2-CG 4.45Å; F180-L186 HydrophobicContact CE2-CD1 3.86Å; F180-L186 HydrophobicContact CG-CB 4.13Å; F180-H189 HydrophobicContact CE1-CB 3.86Å; F180-H189 HydrophobicContact CE2-CB 4.23Å; F180-H189 AromaticContact CE2-CD2 3.44Å; F180-H189 VanDerWaalsContact CE2-CD2 3.44Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.47Å; F180-H189 HydrophobicContact CZ-CB 3.47Å; F180-H189 VanDerWaalsContact CZ-CB 3.47Å; F180-H189 AromaticContact CZ-CD2 3.32Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.16Å; F180-H189 AromaticContact CZ-CG 3.41Å; F180-H189 VanDerWaalsContact CZ-CG 3.41Å
181	D	75.8	Confident	79.6	Confident	145 Å²	145	63.1 Å²	63.1	78%	0.775	33%	0.331	S	S	*	.	S	Bend	trans	-73.5	-18.5	-179.5	-53.5	-61.4	0	0	0	113.7
182	N	78.3	Confident	79.5	Confident	67 Å²	67	72.6 Å²	72.6	36%	0.358	37%	0.366	S	S	.	.	S	Bend	trans	-155.7	163.8	178.1	65.6	64.3	0	0	0	112.8	F180 H184 L185 L186	F180-N182 VanDerWaalsContact C-N 3.3Å; F180-N182 PolarHBondContact O-N 3.5Å; N182-H184 PolarHBondContact O-N 3.43Å; N182-H184 PolarHBondContact OD1-N 3.14Å; N182-H184 VanDerWaalsContact OD1-N 3.14Å; N182-L185 PolarHBondContact O-N 2.89Å; N182-L185 WeakPolarHBondContact OD1-CG 3.24Å; N182-L185 PolarHBondContact OD1-N 3.46Å; N182-L186 PolarHBondContact O-N 3.43Å
183	G	73.8	Confident	79.7	Confident	39 Å²	39	71 Å²	71	40%	0.402	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-31.9	-177.3	0	0	0	0	0	114.7	L185 L186 L187	G183-L185 PolarHBondContact O-N 3.49Å; G183-L186 PolarHBondContact O-N 3.31Å; G183-L187 WeakPolarHBondContact O-CB 3.16Å; G183-L187 PolarHBondContact O-N 2.94Å
184	H	74.2	Confident	79.6	Confident	159 Å²	159	74.9 Å²	74.9	74%	0.736	37%	0.373	S	S	*	.	H	α-helix	trans	-66.7	-36.5	178.9	-57.2	-59.1	0	0	0	112.3	N182 L187 G188	N182-H184 PolarHBondContact O-N 3.43Å; N182-H184 PolarHBondContact OD1-N 3.14Å; N182-H184 VanDerWaalsContact OD1-N 3.14Å; H184-L187 PolarHBondContact O-N 3.25Å; H184-G188 PolarHBondContact O-N 2.88Å
185	L	76.9	Confident	79.7	Confident	87 Å²	87	71 Å²	71	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-42	174.1	-68.4	172.8	0	0	0	111.6	F180 N182 G183 G188 H189	F180-L185 HydrophobicContact CB-CB 4.23Å; F180-L185 HydrophobicContact CD1-CB 3.82Å; F180-L185 HydrophobicContact CG-CB 4.36Å; N182-L185 PolarHBondContact O-N 2.89Å; N182-L185 WeakPolarHBondContact OD1-CG 3.24Å; N182-L185 PolarHBondContact OD1-N 3.46Å; G183-L185 PolarHBondContact O-N 3.49Å; L185-G188 PolarHBondContact O-N 2.67Å; L185-H189 PolarHBondContact O-N 3Å
186	L	80.3	Confident	79.9	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-47.2	173	171.6	59.2	0	0	0	111.6	I169 C171 F180 N182 G183 G188 H189 L190	I169-L186 HydrophobicContact CG2-CD2 3.69Å; C171-L186 HydrophobicContact CB-CD1 4.22Å; F180-L186 HydrophobicContact CB-CB 4.32Å; F180-L186 HydrophobicContact CD2-CB 3.9Å; F180-L186 HydrophobicContact CD2-CD1 3.85Å; F180-L186 HydrophobicContact CD2-CG 4.45Å; F180-L186 HydrophobicContact CE2-CD1 3.86Å; F180-L186 HydrophobicContact CG-CB 4.13Å; N182-L186 PolarHBondContact O-N 3.43Å; G183-L186 PolarHBondContact O-N 3.31Å; L186-G188 VanDerWaalsContact C-N 3.31Å; L186-G188 PolarHBondContact O-N 2.89Å; L186-H189 WeakPolarHBondContact O-CB 3.24Å; L186-H189 PolarHBondContact O-N 2.95Å; L186-H189 VanDerWaalsContact O-N 3.12Å; L186-L190 HydrophobicContact CD1-CD1 4.01Å; L186-L190 HydrophobicContact CD1-CG 4.1Å; L186-L190 HydrophobicContact CG-CD1 3.97Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.49Å
187	L	74.9	Confident	79.9	Confident	68 Å²	68	68.3 Å²	68.3	36%	0.356	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-38.4	177.6	-172.6	66.7	0	0	0	111.8	G183 H184 L190 K191	G183-L187 WeakPolarHBondContact O-CB 3.16Å; G183-L187 PolarHBondContact O-N 2.94Å; H184-L187 PolarHBondContact O-N 3.25Å; L187-L190 PolarHBondContact O-N 2.89Å; L187-K191 HydrophobicContact CG-CD 4.45Å; L187-K191 WeakPolarHBondContact O-CB 3.41Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 2.83Å
188	G	73.7	Confident	80.2	Confident	28 Å²	28	64.6 Å²	64.6	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-37	173.1	0	0	0	0	0	113.3	H184 L185 L186 R192	H184-G188 PolarHBondContact O-N 2.88Å; L185-G188 PolarHBondContact O-N 2.67Å; L186-G188 VanDerWaalsContact C-N 3.31Å; L186-G188 PolarHBondContact O-N 2.89Å; G188-R192 VanDerWaalsContact O-CG 3.28Å; G188-R192 WeakPolarHBondContact O-CG 3.46Å; G188-R192 PolarHBondContact O-N 2.98Å
189	H	83.9	Confident	80.2	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.065	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-47	173.3	159.7	60.6	0	0	0	112.3	C171 C176 F180 L185 L186 K191 R192 F193 D194 H195	C171-H189 PolarHBondContact SG-NE2 3.04Å; C176-H189 VanDerWaalsContact SG-CE1 3.55Å; C176-H189 PolarHBondContact SG-NE2 3.08Å; C176-H189 VanDerWaalsContact SG-NE2 3.36Å; F180-H189 HydrophobicContact CE1-CB 3.86Å; F180-H189 HydrophobicContact CE2-CB 4.23Å; F180-H189 AromaticContact CE2-CD2 3.44Å; F180-H189 VanDerWaalsContact CE2-CD2 3.44Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.47Å; F180-H189 HydrophobicContact CZ-CB 3.47Å; F180-H189 VanDerWaalsContact CZ-CB 3.47Å; F180-H189 AromaticContact CZ-CD2 3.32Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.16Å; F180-H189 AromaticContact CZ-CG 3.41Å; F180-H189 VanDerWaalsContact CZ-CG 3.41Å; L185-H189 PolarHBondContact O-N 3Å; L186-H189 WeakPolarHBondContact O-CB 3.24Å; L186-H189 PolarHBondContact O-N 2.95Å; L186-H189 VanDerWaalsContact O-N 3.12Å; H189-K191 VanDerWaalsContact C-N 3.32Å; H189-K191 PolarHBondContact O-N 3.34Å; H189-R192 WeakPolarHBondContact O-CB 3.35Å; H189-R192 PolarHBondContact O-N 2.88Å; H189-F193 PolarHBondContact O-N 2.85Å; H189-D194 PolarHBondContact CE1-O 3.5Å; H189-H195 AromaticContact CD2-CE1 3.86Å; H189-H195 AromaticContact CE1-CE1 3.38Å; H189-H195 PolarHBondContact CE1-CE1 2.87Å; H189-H195 AromaticContact CE1-ND1 3.21Å; H189-H195 PolarHBondContact CE1-ND1 2.94Å; H189-H195 AromaticContact NE2-CE1 3.23Å; H189-H195 PolarHBondContact NE2-CE1 2.78Å; H189-H195 AromaticContact NE2-ND1 3.17Å; H189-H195 PolarHBondContact NE2-ND1 2.94Å; H189-H195 VanDerWaalsContact NE2-ND1 3.17Å
190	L	80.4	Confident	80.3	Confident	25 Å²	25	59.2 Å²	59.2	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-42.7	176.2	-72.7	165.3	0	0	0	111.9	L186 L187 R192 F193	L186-L190 HydrophobicContact CD1-CD1 4.01Å; L186-L190 HydrophobicContact CD1-CG 4.1Å; L186-L190 HydrophobicContact CG-CD1 3.97Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.49Å; L187-L190 PolarHBondContact O-N 2.89Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 2.7Å; L190-F193 PolarHBondContact O-N 3.12Å
191	K	77.8	Confident	80.5	Confident	146 Å²	146	59.9 Å²	59.9	64%	0.635	31%	0.31	S	S	*	.	H	α-helix	trans	-65	-28.6	175.1	-74.4	177.8	179.3	-179.2	0	113.5	L187 H189	L187-K191 HydrophobicContact CG-CD 4.45Å; L187-K191 WeakPolarHBondContact O-CB 3.41Å; L187-K191 WeakPolarHBondContact O-CG 3.35Å; L187-K191 PolarHBondContact O-N 2.83Å; H189-K191 VanDerWaalsContact C-N 3.32Å; H189-K191 PolarHBondContact O-N 3.34Å
192	R	83.1	Confident	80.6	Confident	210 Å²	210	54.7 Å²	54.7	79%	0.792	28%	0.282	S	S	*	.	H	α-helix	trans	-80.5	-19.2	174.7	-72.6	170.4	-176.6	174.2	3.1	113.5	G188 H189 L190 D194	G188-R192 VanDerWaalsContact O-CG 3.28Å; G188-R192 WeakPolarHBondContact O-CG 3.46Å; G188-R192 PolarHBondContact O-N 2.98Å; H189-R192 WeakPolarHBondContact O-CB 3.35Å; H189-R192 PolarHBondContact O-N 2.88Å; L190-R192 VanDerWaalsContact C-N 3.3Å; L190-R192 PolarHBondContact O-N 2.7Å; R192-D194 PolarHBondContact O-N 2.87Å; R192-D194 VanDerWaalsContact O-N 3.09Å
193	F	83.7	Confident	80.6	Confident	30 Å²	30	53 Å²	53	13%	0.132	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	16.6	178.7	-149.9	-111.1	0	0	0	115.6	H189 L190 H195 V315 L324 R325 S326 H327 L330	H189-F193 PolarHBondContact O-N 2.85Å; L190-F193 PolarHBondContact O-N 3.12Å; F193-H195 VanDerWaalsContact C-CD2 3.41Å; F193-H195 VanDerWaalsContact C-N 3.33Å; F193-H195 AromaticContact CD2-CD2 3.85Å; F193-H195 AromaticContact CD2-NE2 3.92Å; F193-H195 PolarHBondContact O-CD2 3.45Å; F193-H195 PolarHBondContact O-N 3.41Å; F193-V315 HydrophobicContact CE1-CB 4.16Å; F193-V315 HydrophobicContact CE1-CG2 3.94Å; F193-V315 HydrophobicContact CZ-CB 3.85Å; F193-V315 HydrophobicContact CZ-CG1 4.24Å; F193-V315 HydrophobicContact CZ-CG2 3.87Å; F193-L324 WeakPolarHBondContact CE1-O 3.34Å; F193-L324 HydrophobicContact CZ-CB 4.35Å; F193-R325 VanDerWaalsContact CE1-C 3.4Å; F193-S326 WeakPolarHBondContact CE2-O 3.15Å; F193-H327 HydrophobicContact CD2-CB 4.34Å; F193-H327 VanDerWaalsContact CD2-N 3.31Å; F193-L330 HydrophobicContact CE2-CB 4.38Å; F193-L330 HydrophobicContact CE2-CD1 3.9Å; F193-L330 HydrophobicContact CZ-CD1 4.45Å
194	D	81.4	Confident	80.8	Confident	86 Å²	86	52.6 Å²	52.6	46%	0.46	26%	0.263	S	S	.	.			trans	-81.3	75.9	178.2	179.8	22.2	0	0	0	111.4	H189 R192	H189-D194 PolarHBondContact CE1-O 3.5Å; R192-D194 PolarHBondContact O-N 2.87Å; R192-D194 VanDerWaalsContact O-N 3.09Å
195	H	84.7	Confident	80.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.251	C	S	.	.			trans	-100.5	34.3	-177.2	-60.6	-71	0	0	0	113.1	C176 H189 F193 P197 F313 V315 A345	C176-H195 HydrophobicContact CB-CB 4.33Å; C176-H195 PolarHBondContact SG-ND1 2.84Å; C176-H195 VanDerWaalsContact SG-ND1 3.38Å; H189-H195 AromaticContact CD2-CE1 3.86Å; H189-H195 AromaticContact CE1-CE1 3.38Å; H189-H195 PolarHBondContact CE1-CE1 2.87Å; H189-H195 AromaticContact CE1-ND1 3.21Å; H189-H195 PolarHBondContact CE1-ND1 2.94Å; H189-H195 AromaticContact NE2-CE1 3.23Å; H189-H195 PolarHBondContact NE2-CE1 2.78Å; H189-H195 AromaticContact NE2-ND1 3.17Å; H189-H195 PolarHBondContact NE2-ND1 2.94Å; H189-H195 VanDerWaalsContact NE2-ND1 3.17Å; F193-H195 VanDerWaalsContact C-CD2 3.41Å; F193-H195 VanDerWaalsContact C-N 3.33Å; F193-H195 AromaticContact CD2-CD2 3.85Å; F193-H195 AromaticContact CD2-NE2 3.92Å; F193-H195 PolarHBondContact O-CD2 3.45Å; F193-H195 PolarHBondContact O-N 3.41Å; H195-P197 VanDerWaalsContact O-CD 3.3Å; H195-P197 WeakPolarHBondContact O-CD 3.44Å; H195-F313 HydrophobicContact CB-CE2 4.21Å; H195-V315 HydrophobicContact CB-CG2 4.06Å; H195-A345 HydrophobicContact CB-CB 4.38Å; H195-A345 VanDerWaalsContact O-CB 3.23Å; H195-A345 WeakPolarHBondContact O-CB 3.22Å
196	S	86.3	Confident	79.8	Confident	16 Å²	16	48.6 Å²	48.6	11%	0.112	26%	0.257	C	S	.	.			trans	-59.2	120.6	179.4	-175.1	0	0	0	0	111.5	C198	S196-C198 PolarHBondContact O-N 3.43Å; S196-C198 PolarHBondContact OG-N 2.95Å
197	P	83.3	Confident	78.6	Confident	35 Å²	35	52.5 Å²	52.5	23%	0.227	28%	0.283	C	S	.	.	S	Bend	trans	-81.9	-2.6	175.2	35.4	-34.9	0	0	0	112.1	H175 H195 D199 A345 A347	H175-P197 HydrophobicContact CB-CB 3.89Å; H175-P197 VanDerWaalsContact O-CB 3.32Å; H175-P197 WeakPolarHBondContact O-CB 3.26Å; H195-P197 VanDerWaalsContact O-CD 3.3Å; H195-P197 WeakPolarHBondContact O-CD 3.44Å; P197-D199 PolarHBondContact O-N 3.43Å; P197-A345 HydrophobicContact CB-CB 4.43Å; P197-A345 HydrophobicContact CG-CB 4.26Å; P197-A347 HydrophobicContact CG-CB 3.66Å
198	C	86.3	Confident	78.1	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.02	29%	0.286	C	S	.	.			trans	-96.8	52.9	178.1	-166.5	0	0	0	0	111	S196 C308 V311 A347 I351	S196-C198 PolarHBondContact O-N 3.43Å; S196-C198 PolarHBondContact OG-N 2.95Å; C198-C308 WeakPolarHBondContact O-CB 3.18Å; C198-V311 HydrophobicContact CB-CB 4.32Å; C198-V311 HydrophobicContact CB-CG1 4.43Å; C198-A347 HydrophobicContact CB-CB 4.13Å; C198-I351 HydrophobicContact CB-CG1 4.5Å
199	D	84.4	Confident	77.8	Confident	31 Å²	31	60.3 Å²	60.3	17%	0.166	31%	0.307	C	S	.	.			trans	-111.1	104.3	178.9	-170.9	-14.9	0	0	0	111.6	K178 P197 T201 I202	K178-D199 IonicContact NZ-OD2 2.66Å; K178-D199 PolarHBondContact NZ-OD2 3.43Å; P197-D199 PolarHBondContact O-N 3.43Å; D199-T201 PolarHBondContact O-N 3.15Å; D199-T201 WeakPolarHBondContact OD1-CA 3.32Å; D199-T201 WeakPolarHBondContact OD1-CB 3.44Å; D199-T201 PolarHBondContact OD1-N 2.91Å; D199-T201 PolarHBondContact OD1-OG1 2.88Å; D199-I202 HydrophobicContact CB-CD1 4.46Å
200	P	82.6	Confident	77.6	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.019	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.1	178.4	31.6	-36	0	0	0	113.5	L261 L304 I305 C308 I351	P200-L261 HydrophobicContact CB-CD1 4.27Å; P200-L261 HydrophobicContact CB-CG 4.25Å; P200-L261 WeakPolarHBondContact O-CB 3.41Å; P200-L261 WeakPolarHBondContact O-CG 3.46Å; P200-L261 PolarHBondContact O-N 2.69Å; P200-L304 HydrophobicContact CB-CD2 4.05Å; P200-L304 HydrophobicContact CB-CG 4.29Å; P200-L304 HydrophobicContact CG-CD2 4.49Å; P200-L304 HydrophobicContact CG-CG 4.21Å; P200-I305 HydrophobicContact CG-CG1 4.1Å; P200-C308 HydrophobicContact CG-CB 4.09Å; P200-I351 HydrophobicContact CB-CG2 3.97Å
201	T	83.8	Confident	77.6	Confident	46 Å²	46	62.3 Å²	62.3	28%	0.282	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.6	-174.7	68.5	0	0	0	0	114.4	D199 T203 L204 I305	D199-T201 PolarHBondContact O-N 3.15Å; D199-T201 WeakPolarHBondContact OD1-CA 3.32Å; D199-T201 WeakPolarHBondContact OD1-CB 3.44Å; D199-T201 PolarHBondContact OD1-N 2.91Å; D199-T201 PolarHBondContact OD1-OG1 2.88Å; T201-T203 PolarHBondContact O-N 3.48Å; T201-L204 HydrophobicContact CG2-CD1 4.17Å; T201-L204 WeakPolarHBondContact O-CB 3.34Å; T201-L204 PolarHBondContact O-N 3.11Å; T201-I305 HydrophobicContact CG2-CD1 3.48Å; T201-I305 VanDerWaalsContact CG2-CD1 3.48Å; T201-I305 HydrophobicContact CG2-CG1 3.54Å; T201-I305 HydrophobicContact CG2-CG2 4.46Å
202	I	79.6	Confident	78	Confident	36 Å²	36	56.7 Å²	56.7	19%	0.185	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.4	-168.6	-148.5	158.9	0	0	0	114.8	C176 N177 K178 D199 L260	C176-I202 VanDerWaalsContact O-CD1 3.24Å; C176-I202 WeakPolarHBondContact O-CD1 3.43Å; N177-I202 VanDerWaalsContact C-CD1 3.49Å; N177-I202 HydrophobicContact CB-CD1 3.86Å; N177-I202 WeakPolarHBondContact O-CD1 3.47Å; K178-I202 HydrophobicContact CB-CD1 4.43Å; K178-I202 HydrophobicContact CG-CD1 3.61Å; K178-I202 HydrophobicContact CG-CG1 4.09Å; D199-I202 HydrophobicContact CB-CD1 4.46Å; I202-L260 HydrophobicContact CG2-CD2 3.89Å
203	T	78.1	Confident	78	Confident	31 Å²	31	46.7 Å²	46.7	19%	0.19	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	12.8	178.1	45.3	0	0	0	0	113.7	T201 H205 L260 L261 F262	T201-T203 PolarHBondContact O-N 3.48Å; T203-H205 PolarHBondContact O-CD2 3.09Å; T203-H205 PolarHBondContact O-N 3.08Å; T203-L260 HydrophobicContact CG2-CD1 4.5Å; T203-L261 CarbonylContact C-O 3.55Å; T203-L261 PolarHBondContact OG1-O 3.12Å; T203-F262 VanDerWaalsContact CB-CE1 3.48Å; T203-F262 HydrophobicContact CG2-CD1 4.49Å; T203-F262 HydrophobicContact CG2-CE1 3.7Å; T203-F262 HydrophobicContact CG2-CZ 4Å
204	L	77.9	Confident	77.9	Confident	31 Å²	31	45.2 Å²	45.2	16%	0.162	26%	0.256	C	S	.	.			trans	-90.4	95.5	177.7	-70.7	-179.9	0	0	0	111.7	T201 F208 C252 L261	T201-L204 HydrophobicContact CG2-CD1 4.17Å; T201-L204 WeakPolarHBondContact O-CB 3.34Å; T201-L204 PolarHBondContact O-N 3.11Å; L204-F208 HydrophobicContact CD2-CE1 4.31Å; L204-C252 HydrophobicContact CD2-CB 4Å; L204-L261 HydrophobicContact CD1-CB 4.06Å; L204-L261 HydrophobicContact CD1-CD1 4.39Å; L204-L261 VanDerWaalsContact CD2-C 3.45Å; L204-L261 HydrophobicContact CD2-CB 3.76Å; L204-L261 WeakPolarHBondContact CD2-O 3.11Å; L204-L261 HydrophobicContact CG-CB 3.92Å; L204-L261 WeakPolarHBondContact CG-O 3.34Å
205	H	69.9	Low	77.6	Confident	107 Å²	107	41.5 Å²	41.5	50%	0.495	24%	0.236	S	C	.	.			trans	-116.6	152.6	175.8	-49.7	-83.5	0	0	0	112	T203 S263	T203-H205 PolarHBondContact O-CD2 3.09Å; T203-H205 PolarHBondContact O-N 3.08Å; H205-S263 VanDerWaalsContact O-CB 3.3Å; H205-S263 WeakPolarHBondContact O-CB 3.46Å; H205-S263 PolarHBondContact O-OG 3.33Å
206	G	58.8	Low	77.1	Confident	55 Å²	55	42.9 Å²	42.9	57%	0.567	24%	0.243	S	C	*	.	S	Bend	trans	78.7	-179	174.2	0	0	0	0	0	115.8
207	P	56.1	Low	76.6	Confident	101 Å²	101	44 Å²	44	66%	0.656	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-72.4	141.4	-177.7	29.7	-35	0	0	0	112.4
208	F	64	Low	76.3	Confident	97 Å²	97	45.3 Å²	45.3	43%	0.425	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-81.5	119.4	178.6	-59.8	-68.1	0	0	0	112.1	L204 Q251	L204-F208 HydrophobicContact CD2-CE1 4.31Å; F208-Q251 WeakPolarHBondContact CD1-O 3.39Å
209	F	67.4	Low	76	Confident	162 Å²	162	50.8 Å²	50.8	71%	0.711	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-82.8	125.6	164.4	-59.7	-81.3	0	0	0	109.3
210	S	79.3	Confident	75.9	Confident	53 Å²	53	53.7 Å²	53.7	37%	0.371	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-92.4	131.1	175.3	-63.9	0	0	0	0	110.2	I250	S210-I250 WeakPolarHBondContact CA-O 3.49Å
211	S	82.2	Confident	76	Confident	29 Å²	29	54.9 Å²	54.9	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.6	171.7	54.6	0	0	0	0	109.9	I250	S211-I250 PolarHBondContact N-O 2.91Å; S211-I250 PolarHBondContact O-N 2.84Å
212	F	84.2	Confident	75.9	Confident	27 Å²	27	58 Å²	58	12%	0.118	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.7	-167.5	-58.9	-86.8	0	0	0	110.1	K220 F221 Q224 P247 Q248 I249	F212-K220 CarbonylContact O-C 3.36Å; F212-K220 WeakPolarHBondContact O-CA 3.11Å; F212-F221 HydrophobicContact CB-CB 4.41Å; F212-F221 PolarHBondContact N-O 3.07Å; F212-F221 PolarHBondContact O-N 3.43Å; F212-Q224 HydrophobicContact CE1-CB 4.18Å; F212-Q224 HydrophobicContact CE1-CG 4.39Å; F212-Q224 HydrophobicContact CE2-CB 4.08Å; F212-Q224 HydrophobicContact CZ-CB 3.9Å; F212-P247 HydrophobicContact CB-CB 3.97Å; F212-P247 HydrophobicContact CD1-CB 3.93Å; F212-P247 HydrophobicContact CD1-CG 3.81Å; F212-P247 HydrophobicContact CG-CB 4.41Å; F212-Q248 WeakPolarHBondContact CA-O 3.46Å; F212-I249 HydrophobicContact CD1-CG1 4.19Å; F212-I249 HydrophobicContact CE1-CD1 4.43Å; F212-I249 HydrophobicContact CE1-CG1 4.08Å
213	A	83.6	Confident	76	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.1	174.9	0	0	0	0	0	112.6	K219 K220 Q248 I250 L399	A213-K219 WeakPolarHBondContact CA-O 3.45Å; A213-K220 HydrophobicContact CB-CG 4.41Å; A213-Q248 HydrophobicContact CB-CB 4.33Å; A213-Q248 PolarHBondContact N-O 3Å; A213-Q248 PolarHBondContact O-N 3.08Å; A213-I250 HydrophobicContact CB-CD1 3.61Å; A213-I250 HydrophobicContact CB-CG1 4.5Å; A213-L399 HydrophobicContact CB-CD2 4.16Å
214	C	81.5	Confident	76.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.			trans	-81	128.5	168.5	-178.6	0	0	0	0	110.2	I216 C217 Y218 K219 F221 Y227 H230 H241	C214-I216 VanDerWaalsContact C-N 3.34Å; C214-C217 VanDerWaalsContact SG-SG 3.68Å; C214-Y218 WeakPolarHBondContact O-CA 3.19Å; C214-Y218 PolarHBondContact O-N 2.98Å; C214-K219 PolarHBondContact N-O 3.49Å; C214-F221 HydrophobicContact CB-CE2 4.22Å; C214-Y227 HydrophobicContact CB-CD2 4.48Å; C214-Y227 HydrophobicContact CB-CE2 3.85Å; C214-H230 WeakPolarHBondContact CB-NE2 3.18Å; C214-H230 PolarHBondContact SG-NE2 3.27Å; C214-H230 VanDerWaalsContact SG-NE2 3.43Å; C214-H241 VanDerWaalsContact SG-CD2 3.56Å; C214-H241 PolarHBondContact SG-NE2 3.35Å; C214-H241 VanDerWaalsContact SG-NE2 3.43Å
215	V	74.8	Confident	76.4	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.042	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.3	178.5	-174.4	0	0	0	0	112	Y218 Q248 L400 H403	V215-Y218 WeakPolarHBondContact O-CE1 3.45Å; V215-Q248 HydrophobicContact CG2-CG 3.66Å; V215-L400 HydrophobicContact CG1-CD2 4.1Å; V215-H403 HydrophobicContact CB-CB 4.46Å; V215-H403 HydrophobicContact CG1-CB 3.7Å; V215-H403 HydrophobicContact CG2-CB 3.99Å
216	I	74.9	Confident	77.1	Confident	31 Å²	31	64.1 Å²	64.1	16%	0.159	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-36.1	-170.3	-52.3	-58.4	0	0	0	112.6	C214 L245	C214-I216 VanDerWaalsContact C-N 3.34Å; I216-L245 HydrophobicContact CD1-CD1 4.39Å; I216-L245 HydrophobicContact CG1-CD1 3.62Å
217	C	75.8	Confident	78.3	Confident	40 Å²	40	61.8 Å²	61.8	27%	0.27	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	3.9	-177.9	70.1	0	0	0	0	115.2	C214 K219 H230 H241	C214-C217 VanDerWaalsContact SG-SG 3.68Å; C217-K219 PolarHBondContact O-N 3.42Å; C217-H230 PolarHBondContact SG-CE1 3.41Å; C217-H230 PolarHBondContact SG-NE2 2.91Å; C217-H230 VanDerWaalsContact SG-NE2 3.39Å; C217-H241 PolarHBondContact SG-NE2 3.3Å; C217-H241 VanDerWaalsContact SG-NE2 3.35Å
218	Y	77.1	Confident	79.6	Confident	62 Å²	62	62.7 Å²	62.7	24%	0.243	30%	0.304	C	S	.	.			trans	57.7	9.5	176.4	-46.4	-72.5	0	0	0	116.1	C214 V215 E396 L399 L400	C214-Y218 WeakPolarHBondContact O-CA 3.19Å; C214-Y218 PolarHBondContact O-N 2.98Å; V215-Y218 WeakPolarHBondContact O-CE1 3.45Å; Y218-E396 HydrophobicContact CD1-CG 4.26Å; Y218-E396 HydrophobicContact CD2-CG 4.08Å; Y218-E396 HydrophobicContact CE1-CB 4.1Å; Y218-E396 HydrophobicContact CE1-CG 4.05Å; Y218-E396 HydrophobicContact CE2-CG 3.86Å; Y218-E396 HydrophobicContact CG-CG 4.28Å; Y218-L399 HydrophobicContact CD1-CB 4.45Å; Y218-L399 HydrophobicContact CD1-CD1 3.85Å; Y218-L399 HydrophobicContact CE1-CB 4.41Å; Y218-L400 HydrophobicContact CE1-CG 4.48Å; Y218-L400 WeakPolarHBondContact OH-CD1 3.46Å
219	K	81.1	Confident	80.5	Confident	118 Å²	118	61.2 Å²	61.2	51%	0.513	30%	0.3	S	S	.	.			trans	-64.1	144.9	172.7	-71.1	-175.2	177.7	-175.3	0	110.8	A213 C214 C217 F221	A213-K219 WeakPolarHBondContact CA-O 3.45Å; C214-K219 PolarHBondContact N-O 3.49Å; C217-K219 PolarHBondContact O-N 3.42Å; K219-F221 HydrophobicContact CB-CE1 4.47Å; K219-F221 HydrophobicContact CB-CE2 3.64Å; K219-F221 HydrophobicContact CB-CZ 3.49Å; K219-F221 VanDerWaalsContact CB-CZ 3.49Å; K219-F221 HydrophobicContact CD-CZ 4.19Å; K219-F221 VanDerWaalsContact O-CE2 3.32Å; K219-F221 WeakPolarHBondContact O-CE2 3.43Å
220	K	81.9	Confident	81.3	Confident	91 Å²	91	54 Å²	54	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.3	-177	-57.4	177.8	-171.8	176.7	0	110.1	F212 A213 I250 S295 E395	F212-K220 CarbonylContact O-C 3.36Å; F212-K220 WeakPolarHBondContact O-CA 3.11Å; A213-K220 HydrophobicContact CB-CG 4.41Å; K220-I250 HydrophobicContact CD-CD1 4.38Å; K220-I250 HydrophobicContact CG-CD1 4.43Å; K220-S295 PolarHBondContact NZ-OG 2.88Å; K220-E395 WeakPolarHBondContact CE-OE2 3.46Å; K220-E395 IonicContact NZ-OE1 2.71Å; K220-E395 PolarHBondContact NZ-OE1 3.3Å; K220-E395 IonicContact NZ-OE2 2.79Å; K220-E395 PolarHBondContact NZ-OE2 2.95Å
221	F	83.7	Confident	81.5	Confident	29 Å²	29	51.9 Å²	51.9	13%	0.127	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.8	-172	-54.9	-83.8	0	0	0	109.8	F212 C214 K219 Q226 Y227 H230	F212-F221 HydrophobicContact CB-CB 4.41Å; F212-F221 PolarHBondContact N-O 3.07Å; F212-F221 PolarHBondContact O-N 3.43Å; C214-F221 HydrophobicContact CB-CE2 4.22Å; K219-F221 HydrophobicContact CB-CE1 4.47Å; K219-F221 HydrophobicContact CB-CE2 3.64Å; K219-F221 HydrophobicContact CB-CZ 3.49Å; K219-F221 VanDerWaalsContact CB-CZ 3.49Å; K219-F221 HydrophobicContact CD-CZ 4.19Å; K219-F221 VanDerWaalsContact O-CE2 3.32Å; K219-F221 WeakPolarHBondContact O-CE2 3.43Å; F221-Q226 HydrophobicContact CB-CB 4.06Å; F221-Q226 HydrophobicContact CD1-CB 4.01Å; F221-Q226 HydrophobicContact CG-CB 4.45Å; F221-Y227 AromaticContact CD2-CD2 3.8Å; F221-Y227 HydrophobicContact CD2-CD2 3.8Å; F221-Y227 HydrophobicContact CD2-CG 4.49Å; F221-Y227 HydrophobicContact CE2-CD2 4Å; F221-H230 HydrophobicContact CD1-CB 4.44Å; F221-H230 HydrophobicContact CE1-CB 3.58Å; F221-H230 AromaticContact CE1-CG 3.86Å; F221-H230 HydrophobicContact CE2-CB 4.38Å; F221-H230 AromaticContact CE2-CD2 3.34Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.42Å; F221-H230 AromaticContact CE2-CG 3.99Å; F221-H230 HydrophobicContact CZ-CB 3.56Å; F221-H230 AromaticContact CZ-CD2 3.11Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.43Å; F221-H230 AromaticContact CZ-CG 3.28Å; F221-H230 AromaticContact CZ-NE2 3.83Å
222	V	81.4	Confident	81.3	Confident	110 Å²	110	56.4 Å²	56.4	67%	0.667	27%	0.269	S	S	*	.	S	Bend	trans	-82.8	-31.4	-176.6	-175.7	0	0	0	0	110.8
223	T	82.1	Confident	81.1	Confident	63 Å²	63	61.4 Å²	61.4	39%	0.387	30%	0.297	S	S	.	.	S	Bend	trans	-123.5	155.4	177.9	73.4	0	0	0	0	111.8	Q225 Q226 Y227	T223-Q225 PolarHBondContact O-N 2.94Å; T223-Q226 PolarHBondContact O-N 3.21Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.45Å; T223-Q226 PolarHBondContact OG1-N 3.33Å; T223-Y227 PolarHBondContact O-N 2.75Å
224	Q	81.8	Confident	80.8	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-24.9	173.8	-167.1	178	14.2	0	0	112	F212 Y227 R228	F212-Q224 HydrophobicContact CE1-CB 4.18Å; F212-Q224 HydrophobicContact CE1-CG 4.39Å; F212-Q224 HydrophobicContact CE2-CB 4.08Å; F212-Q224 HydrophobicContact CZ-CB 3.9Å; Q224-Y227 PolarHBondContact O-N 3.17Å; Q224-R228 WeakPolarHBondContact O-CG 3.34Å; Q224-R228 PolarHBondContact O-N 2.98Å; Q224-R228 VanDerWaalsContact O-N 3.11Å
225	Q	82	Confident	80	Confident	96 Å²	96	69.6 Å²	69.6	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-50.9	174.8	-169.2	57.4	40	0	0	110.9	T223 Y227 R228 D229	T223-Q225 PolarHBondContact O-N 2.94Å; Q225-Y227 PolarHBondContact O-N 2.96Å; Q225-Y227 VanDerWaalsContact O-N 3.08Å; Q225-R228 CarbonylContact O-C 3.57Å; Q225-R228 WeakPolarHBondContact O-CA 3.25Å; Q225-R228 WeakPolarHBondContact O-CB 3.38Å; Q225-R228 PolarHBondContact O-N 3.49Å; Q225-D229 PolarHBondContact NE2-OD1 2.91Å; Q225-D229 PolarHBondContact O-N 3.3Å; Q225-D229 VanDerWaalsContact O-OD2 3.1Å
226	Q	85.2	Confident	79.3	Confident	85 Å²	85	73.9 Å²	73.9	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-55.2	-31.9	175.8	-72.1	171.7	-14.6	0	0	113.1	F221 T223 D229 H230	F221-Q226 HydrophobicContact CB-CB 4.06Å; F221-Q226 HydrophobicContact CD1-CB 4.01Å; F221-Q226 HydrophobicContact CG-CB 4.45Å; T223-Q226 PolarHBondContact O-N 3.21Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.45Å; T223-Q226 PolarHBondContact OG1-N 3.33Å; Q226-D229 WeakPolarHBondContact CA-OD2 3.3Å; Q226-H230 WeakPolarHBondContact O-CB 3.35Å; Q226-H230 PolarHBondContact O-N 2.84Å; Q226-H230 VanDerWaalsContact O-N 3.09Å
227	Y	85.4	Confident	78.7	Confident	5 Å²	5	75.1 Å²	75.1	2%	0.02	38%	0.38	C	S	.	.	H	α-helix	trans	-71.1	-40.9	173.2	175.1	-97.6	0	0	0	113	C214 F221 T223 Q224 Q225 H230 L231 L245 P247	C214-Y227 HydrophobicContact CB-CD2 4.48Å; C214-Y227 HydrophobicContact CB-CE2 3.85Å; F221-Y227 AromaticContact CD2-CD2 3.8Å; F221-Y227 HydrophobicContact CD2-CD2 3.8Å; F221-Y227 HydrophobicContact CD2-CG 4.49Å; F221-Y227 HydrophobicContact CE2-CD2 4Å; T223-Y227 PolarHBondContact O-N 2.75Å; Q224-Y227 PolarHBondContact O-N 3.17Å; Q225-Y227 PolarHBondContact O-N 2.96Å; Q225-Y227 VanDerWaalsContact O-N 3.08Å; Y227-H230 WeakPolarHBondContact O-CB 3.46Å; Y227-H230 PolarHBondContact O-N 3.36Å; Y227-L231 HydrophobicContact CD1-CD1 4.31Å; Y227-L231 HydrophobicContact CE1-CD1 3.53Å; Y227-L231 HydrophobicContact CE1-CG 4.05Å; Y227-L231 PolarHBondContact O-N 2.76Å; Y227-L231 VanDerWaalsContact O-N 3.08Å; Y227-L245 WeakPolarHBondContact CE1-O 3.44Å; Y227-L245 PolarHBondContact OH-O 3.34Å; Y227-P247 HydrophobicContact CD1-CB 3.69Å; Y227-P247 HydrophobicContact CD1-CG 3.8Å; Y227-P247 HydrophobicContact CD2-CB 3.96Å; Y227-P247 HydrophobicContact CE1-CB 3.6Å; Y227-P247 HydrophobicContact CE1-CG 3.78Å; Y227-P247 HydrophobicContact CE2-CB 3.88Å; Y227-P247 HydrophobicContact CG-CB 3.86Å; Y227-P247 HydrophobicContact CG-CG 4.38Å
228	R	81.8	Confident	77.8	Confident	121 Å²	121	81.8 Å²	81.8	46%	0.457	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-45.6	173.6	-73.2	174.4	174.4	158.3	-2	111.5	Q224 Q225 H230 L231 F232	Q224-R228 WeakPolarHBondContact O-CG 3.34Å; Q224-R228 PolarHBondContact O-N 2.98Å; Q224-R228 VanDerWaalsContact O-N 3.11Å; Q225-R228 CarbonylContact O-C 3.57Å; Q225-R228 WeakPolarHBondContact O-CA 3.25Å; Q225-R228 WeakPolarHBondContact O-CB 3.38Å; Q225-R228 PolarHBondContact O-N 3.49Å; R228-H230 PolarHBondContact O-N 3.31Å; R228-L231 PolarHBondContact O-N 3.42Å; R228-F232 HydrophobicContact CB-CE2 4.34Å; R228-F232 WeakPolarHBondContact O-CD2 3.17Å; R228-F232 PolarHBondContact O-N 2.82Å
229	D	83.4	Confident	77.2	Confident	66 Å²	66	81.6 Å²	81.6	35%	0.353	42%	0.416	S	S	.	.	H	α-helix	trans	-55.5	-44.7	176.1	-52.1	-29.7	0	0	0	109.8	Q225 Q226 L231 F232 D233	Q225-D229 PolarHBondContact NE2-OD1 2.91Å; Q225-D229 PolarHBondContact O-N 3.3Å; Q225-D229 VanDerWaalsContact O-OD2 3.1Å; Q226-D229 WeakPolarHBondContact CA-OD2 3.3Å; D229-L231 PolarHBondContact O-N 3.28Å; D229-F232 PolarHBondContact O-N 3.22Å; D229-D233 WeakPolarHBondContact O-CB 3.35Å; D229-D233 PolarHBondContact O-N 3.26Å
230	H	84.7	Confident	76.3	Confident	10 Å²	10	78.1 Å²	78.1	5%	0.046	41%	0.414	C	S	.	.	H	α-helix	trans	-60.3	-38.1	173	158.8	46.2	0	0	0	114.3	C214 C217 F221 Q226 Y227 R228 K234 H241	C214-H230 WeakPolarHBondContact CB-NE2 3.18Å; C214-H230 PolarHBondContact SG-NE2 3.27Å; C214-H230 VanDerWaalsContact SG-NE2 3.43Å; C217-H230 PolarHBondContact SG-CE1 3.41Å; C217-H230 PolarHBondContact SG-NE2 2.91Å; C217-H230 VanDerWaalsContact SG-NE2 3.39Å; F221-H230 HydrophobicContact CD1-CB 4.44Å; F221-H230 HydrophobicContact CE1-CB 3.58Å; F221-H230 AromaticContact CE1-CG 3.86Å; F221-H230 HydrophobicContact CE2-CB 4.38Å; F221-H230 AromaticContact CE2-CD2 3.34Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.42Å; F221-H230 AromaticContact CE2-CG 3.99Å; F221-H230 HydrophobicContact CZ-CB 3.56Å; F221-H230 AromaticContact CZ-CD2 3.11Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.43Å; F221-H230 AromaticContact CZ-CG 3.28Å; F221-H230 AromaticContact CZ-NE2 3.83Å; Q226-H230 WeakPolarHBondContact O-CB 3.35Å; Q226-H230 PolarHBondContact O-N 2.84Å; Q226-H230 VanDerWaalsContact O-N 3.09Å; Y227-H230 WeakPolarHBondContact O-CB 3.46Å; Y227-H230 PolarHBondContact O-N 3.36Å; R228-H230 PolarHBondContact O-N 3.31Å; H230-K234 VanDerWaalsContact O-CB 3.25Å; H230-K234 WeakPolarHBondContact O-CB 3.5Å; H230-K234 WeakPolarHBondContact O-CG 3.34Å; H230-K234 PolarHBondContact O-N 2.66Å; H230-H241 AromaticContact CE1-CD2 3.79Å; H230-H241 AromaticContact CE1-NE2 3.51Å; H230-H241 AromaticContact NE2-CD2 3.85Å; H230-H241 AromaticContact NE2-NE2 3.69Å
231	L	82.6	Confident	75.9	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.042	40%	0.399	C	S	.	.	H	α-helix	trans	-68.2	-43.2	175.6	-71.3	-178.1	0	0	0	111.3	Y227 R228 D229 K234 E235 H241 L245	Y227-L231 HydrophobicContact CD1-CD1 4.31Å; Y227-L231 HydrophobicContact CE1-CD1 3.53Å; Y227-L231 HydrophobicContact CE1-CG 4.05Å; Y227-L231 PolarHBondContact O-N 2.76Å; Y227-L231 VanDerWaalsContact O-N 3.08Å; R228-L231 PolarHBondContact O-N 3.42Å; D229-L231 PolarHBondContact O-N 3.28Å; L231-K234 CarbonylContact O-C 3.5Å; L231-K234 WeakPolarHBondContact O-CA 3.42Å; L231-K234 PolarHBondContact O-N 3.45Å; L231-E235 PolarHBondContact O-N 3.27Å; L231-H241 HydrophobicContact CD2-CB 4.47Å; L231-L245 HydrophobicContact CD1-CB 4.42Å; L231-L245 HydrophobicContact CD2-CB 4.36Å; L231-L245 HydrophobicContact CD2-CD1 4.34Å
232	F	79.1	Confident	75.2	Confident	124 Å²	124	77.7 Å²	77.7	54%	0.544	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.6	-69.4	-59	0	0	0	112.3	R228 D229 K234 E235	R228-F232 HydrophobicContact CB-CE2 4.34Å; R228-F232 WeakPolarHBondContact O-CD2 3.17Å; R228-F232 PolarHBondContact O-N 2.82Å; D229-F232 PolarHBondContact O-N 3.22Å; F232-K234 PolarHBondContact O-N 2.95Å; F232-E235 PolarHBondContact O-N 3.1Å
233	D	80	Confident	74.4	Confident	133 Å²	133	75 Å²	75	71%	0.711	40%	0.398	S	S	*	.	H	α-helix	trans	-58.5	-18.2	170.5	-80.4	-12.4	0	0	0	113.1	D229	D229-D233 WeakPolarHBondContact O-CB 3.35Å; D229-D233 PolarHBondContact O-N 3.26Å
234	K	76.6	Confident	73.6	Confident	49 Å²	49	78.9 Å²	78.9	21%	0.213	42%	0.417	C	S	.	.	H	α-helix	trans	-111.8	-12.8	-173.5	-86.3	-70.7	-179.2	177.3	0	116.4	H230 L231 F232 A236 T237 D239 H241	H230-K234 VanDerWaalsContact O-CB 3.25Å; H230-K234 WeakPolarHBondContact O-CB 3.5Å; H230-K234 WeakPolarHBondContact O-CG 3.34Å; H230-K234 PolarHBondContact O-N 2.66Å; L231-K234 CarbonylContact O-C 3.5Å; L231-K234 WeakPolarHBondContact O-CA 3.42Å; L231-K234 PolarHBondContact O-N 3.45Å; F232-K234 PolarHBondContact O-N 2.95Å; K234-A236 PolarHBondContact O-N 3.11Å; K234-A236 VanDerWaalsContact O-N 3.15Å; K234-T237 WeakPolarHBondContact CD-OG1 3.36Å; K234-T237 PolarHBondContact NZ-OG1 3.24Å; K234-T237 PolarHBondContact O-N 3.24Å; K234-T237 PolarHBondContact O-OG1 3.35Å; K234-D239 IonicContact NZ-OD1 3.59Å; K234-D239 IonicContact NZ-OD2 2.65Å; K234-D239 PolarHBondContact NZ-OD2 3.39Å; K234-H241 HydrophobicContact CB-CB 3.84Å
235	E	63.9	Low	73.1	Confident	123 Å²	123	76.2 Å²	76.2	58%	0.575	41%	0.405	S	S	*	.	H	α-helix	trans	-57.8	-26.3	172.4	-174.4	167.3	-153.3	0	0	112.1	L231 F232 T237 N243	L231-E235 PolarHBondContact O-N 3.27Å; F232-E235 PolarHBondContact O-N 3.1Å; E235-T237 VanDerWaalsContact C-N 3.32Å; E235-T237 PolarHBondContact O-N 2.93Å; E235-N243 PolarHBondContact OE1-ND2 3.2Å; E235-N243 PolarHBondContact OE2-ND2 2.87Å
236	A	60.9	Low	72.7	Confident	97 Å²	97	78.5 Å²	78.5	80%	0.802	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.1	174.6	0	0	0	0	0	115.4	K234	K234-A236 PolarHBondContact O-N 3.11Å; K234-A236 VanDerWaalsContact O-N 3.15Å
237	T	61.4	Low	72.5	Confident	57 Å²	57	75.5 Å²	75.5	35%	0.35	41%	0.408	S	S	.	.	S	Bend	trans	-125.2	124.1	177.7	66.7	0	0	0	0	113.2	K234 E235 D239	K234-T237 WeakPolarHBondContact CD-OG1 3.36Å; K234-T237 PolarHBondContact NZ-OG1 3.24Å; K234-T237 PolarHBondContact O-N 3.24Å; K234-T237 PolarHBondContact O-OG1 3.35Å; E235-T237 VanDerWaalsContact C-N 3.32Å; E235-T237 PolarHBondContact O-N 2.93Å; T237-D239 PolarHBondContact O-N 2.56Å; T237-D239 PolarHBondContact OG1-OD1 2.84Å; T237-D239 VanDerWaalsContact OG1-OD1 3.12Å
238	D	58	Low	72.2	Confident	179 Å²	179	75.6 Å²	75.6	96%	0.957	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	58.9	175.7	-169.5	28.3	0	0	0	112.3
239	D	64.9	Low	72.3	Confident	59 Å²	59	72.9 Å²	72.9	32%	0.316	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.6	176.1	72.7	-18.4	0	0	0	113.6	K234 T237 H241	K234-D239 IonicContact NZ-OD1 3.59Å; K234-D239 IonicContact NZ-OD2 2.65Å; K234-D239 PolarHBondContact NZ-OD2 3.39Å; T237-D239 PolarHBondContact O-N 2.56Å; T237-D239 PolarHBondContact OG1-OD1 2.84Å; T237-D239 VanDerWaalsContact OG1-OD1 3.12Å; D239-H241 IonicContact OD1-CE1 3.7Å; D239-H241 IonicContact OD1-CG 3.8Å; D239-H241 IonicContact OD1-ND1 3.15Å; D239-H241 PolarHBondContact OD1-ND1 2.89Å; D239-H241 IonicContact OD2-CE1 2.69Å; D239-H241 IonicContact OD2-ND1 2.71Å
240	G	61.7	Low	72.3	Confident	44 Å²	44	69.8 Å²	69.8	45%	0.454	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.7	6.5	173.1	0	0	0	0	0	115.8
241	H	73.3	Confident	72.2	Confident	20 Å²	20	71.9 Å²	71.9	9%	0.093	40%	0.395	C	S	.	.			trans	-79.7	147.4	173.3	-62	81.2	0	0	0	111.4	C214 C217 H230 L231 K234 D239 L245	C214-H241 VanDerWaalsContact SG-CD2 3.56Å; C214-H241 PolarHBondContact SG-NE2 3.35Å; C214-H241 VanDerWaalsContact SG-NE2 3.43Å; C217-H241 PolarHBondContact SG-NE2 3.3Å; C217-H241 VanDerWaalsContact SG-NE2 3.35Å; H230-H241 AromaticContact CE1-CD2 3.79Å; H230-H241 AromaticContact CE1-NE2 3.51Å; H230-H241 AromaticContact NE2-CD2 3.85Å; H230-H241 AromaticContact NE2-NE2 3.69Å; L231-H241 HydrophobicContact CD2-CB 4.47Å; K234-H241 HydrophobicContact CB-CB 3.84Å; D239-H241 IonicContact OD1-CE1 3.7Å; D239-H241 IonicContact OD1-CG 3.8Å; D239-H241 IonicContact OD1-ND1 3.15Å; D239-H241 PolarHBondContact OD1-ND1 2.89Å; D239-H241 IonicContact OD2-CE1 2.69Å; D239-H241 IonicContact OD2-ND1 2.71Å; H241-L245 HydrophobicContact CB-CD1 4.49Å
242	N	69.6	Low	72.4	Confident	91 Å²	91	71.5 Å²	71.5	49%	0.487	39%	0.393	S	S	.	.			trans	-149.2	142.9	177.6	-178.8	-49.4	0	0	0	108.3	N244 L245	N242-N244 PolarHBondContact O-N 3.11Å; N242-N244 VanDerWaalsContact O-N 3.09Å; N242-N244 PolarHBondContact OD1-N 3.37Å; N242-L245 HydrophobicContact CB-CG 4.25Å; N242-L245 WeakPolarHBondContact O-CB 3.18Å; N242-L245 VanDerWaalsContact O-CG 3.3Å; N242-L245 WeakPolarHBondContact O-CG 3.23Å; N242-L245 PolarHBondContact O-N 2.96Å
243	N	65.1	Low	72.8	Confident	54 Å²	54	67.4 Å²	67.4	29%	0.289	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.2	-178.7	-73.4	-14.3	0	0	0	114.4	E235 L245	E235-N243 PolarHBondContact OE1-ND2 3.2Å; E235-N243 PolarHBondContact OE2-ND2 2.87Å; N243-L245 VanDerWaalsContact C-N 3.34Å
244	N	64.9	Low	73.2	Confident	144 Å²	144	61 Å²	61	77%	0.77	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	3	176	-68.4	-21.5	0	0	0	114.3	N242 L246	N242-N244 PolarHBondContact O-N 3.11Å; N242-N244 VanDerWaalsContact O-N 3.09Å; N242-N244 PolarHBondContact OD1-N 3.37Å; N244-L246 PolarHBondContact O-N 2.87Å
245	L	70.9	Confident	73.8	Confident	35 Å²	35	58.7 Å²	58.7	18%	0.183	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-71.3	117.4	178.5	-71.6	175.4	0	0	0	112	I216 Y227 L231 H241 N242 N243	I216-L245 HydrophobicContact CD1-CD1 4.39Å; I216-L245 HydrophobicContact CG1-CD1 3.62Å; Y227-L245 WeakPolarHBondContact CE1-O 3.44Å; Y227-L245 PolarHBondContact OH-O 3.34Å; L231-L245 HydrophobicContact CD1-CB 4.42Å; L231-L245 HydrophobicContact CD2-CB 4.36Å; L231-L245 HydrophobicContact CD2-CD1 4.34Å; H241-L245 HydrophobicContact CB-CD1 4.49Å; N242-L245 HydrophobicContact CB-CG 4.25Å; N242-L245 WeakPolarHBondContact O-CB 3.18Å; N242-L245 VanDerWaalsContact O-CG 3.3Å; N242-L245 WeakPolarHBondContact O-CG 3.23Å; N242-L245 PolarHBondContact O-N 2.96Å; N243-L245 VanDerWaalsContact C-N 3.34Å
246	L	73.4	Confident	74.8	Confident	145 Å²	145	52.9 Å²	52.9	76%	0.759	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-73.6	135.5	173.6	-63.7	176.8	0	0	0	111.6	N244	N244-L246 PolarHBondContact O-N 2.87Å
247	P	79.9	Confident	76	Confident	22 Å²	22	50.8 Å²	50.8	14%	0.143	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-75.8	140.4	177.6	28	-30.8	0	0	0	112	F212 Y227 I249	F212-P247 HydrophobicContact CB-CB 3.97Å; F212-P247 HydrophobicContact CD1-CB 3.93Å; F212-P247 HydrophobicContact CD1-CG 3.81Å; F212-P247 HydrophobicContact CG-CB 4.41Å; Y227-P247 HydrophobicContact CD1-CB 3.69Å; Y227-P247 HydrophobicContact CD1-CG 3.8Å; Y227-P247 HydrophobicContact CD2-CB 3.96Å; Y227-P247 HydrophobicContact CE1-CB 3.6Å; Y227-P247 HydrophobicContact CE1-CG 3.78Å; Y227-P247 HydrophobicContact CE2-CB 3.88Å; Y227-P247 HydrophobicContact CG-CB 3.86Å; Y227-P247 HydrophobicContact CG-CG 4.38Å; P247-I249 PolarHBondContact O-N 3.08Å
248	Q	80.8	Confident	77.2	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.028	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	116.7	170	-73.8	-64	-43.5	0	0	110.3	F212 A213 V215 I250 L399 E406	F212-Q248 WeakPolarHBondContact CA-O 3.46Å; A213-Q248 HydrophobicContact CB-CB 4.33Å; A213-Q248 PolarHBondContact N-O 3Å; A213-Q248 PolarHBondContact O-N 3.08Å; V215-Q248 HydrophobicContact CG2-CG 3.66Å; Q248-I250 PolarHBondContact O-N 2.84Å; Q248-L399 HydrophobicContact CB-CD2 3.66Å; Q248-L399 HydrophobicContact CG-CD2 3.85Å; Q248-E406 PolarHBondContact NE2-OE2 3.05Å
249	I	82.9	Confident	78.7	Confident	64 Å²	64	40.7 Å²	40.7	33%	0.328	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.2	-179.2	-51.1	179.1	0	0	0	109.6	F212 P247 Q251 P297 S298	F212-I249 HydrophobicContact CD1-CG1 4.19Å; F212-I249 HydrophobicContact CE1-CD1 4.43Å; F212-I249 HydrophobicContact CE1-CG1 4.08Å; P247-I249 PolarHBondContact O-N 3.08Å; I249-Q251 HydrophobicContact CG2-CG 4.14Å; I249-P297 CarbonylContact O-C 3.59Å; I249-P297 WeakPolarHBondContact O-CA 3.46Å; I249-S298 WeakPolarHBondContact O-CB 3.44Å; I249-S298 PolarHBondContact O-N 3.37Å; I249-S298 PolarHBondContact O-OG 2.85Å
250	I	84	Confident	79.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129	173.2	-64.9	155	0	0	0	109	S210 S211 A213 K220 Q248	S210-I250 WeakPolarHBondContact CA-O 3.49Å; S211-I250 PolarHBondContact N-O 2.91Å; S211-I250 PolarHBondContact O-N 2.84Å; A213-I250 HydrophobicContact CB-CD1 3.61Å; A213-I250 HydrophobicContact CB-CG1 4.5Å; K220-I250 HydrophobicContact CD-CD1 4.38Å; K220-I250 HydrophobicContact CG-CD1 4.43Å; Q248-I250 PolarHBondContact O-N 2.84Å
251	Q	81.3	Confident	81.1	Confident	54 Å²	54	37.1 Å²	37.1	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-2.9	179.5	-66.7	-172.4	-24.3	0	0	114.3	F208 I249	F208-Q251 WeakPolarHBondContact CD1-O 3.39Å; I249-Q251 HydrophobicContact CG2-CG 4.14Å
252	C	87.5	Confident	81.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.3	-178.9	50.8	0	0	0	0	110.5	L204 F262 F296	L204-C252 HydrophobicContact CD2-CB 4Å; C252-F262 CarbonylContact C-O 3.59Å; C252-F262 WeakPolarHBondContact CA-O 3.46Å; C252-F262 WeakPolarHBondContact CB-O 3.4Å; C252-F296 PolarHBondContact O-N 3.29Å
253	F	88.2	Confident	82.5	Confident	38 Å²	38	33 Å²	33	17%	0.167	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.6	176.6	-60.8	-96.3	0	0	0	109.7	L261 F262 S264 K265 C268 P293 I294 S295	F253-L261 WeakPolarHBondContact O-CA 3.22Å; F253-F262 PolarHBondContact N-O 3.13Å; F253-F262 PolarHBondContact O-N 2.94Å; F253-S264 VanDerWaalsContact CD2-C 3.44Å; F253-K265 HydrophobicContact CD1-CB 4.04Å; F253-K265 HydrophobicContact CD1-CG 4.25Å; F253-K265 HydrophobicContact CD2-CB 4.24Å; F253-K265 VanDerWaalsContact CD2-N 3.32Å; F253-K265 HydrophobicContact CE1-CB 3.92Å; F253-K265 HydrophobicContact CE1-CG 4.27Å; F253-K265 HydrophobicContact CE2-CB 4.15Å; F253-K265 HydrophobicContact CG-CB 4.2Å; F253-K265 HydrophobicContact CZ-CB 3.99Å; F253-C268 HydrophobicContact CB-CB 4.28Å; F253-P293 HydrophobicContact CB-CB 4.2Å; F253-P293 HydrophobicContact CD1-CB 4.38Å; F253-I294 CarbonylContact C-O 3.48Å; F253-I294 WeakPolarHBondContact CA-O 3.25Å; F253-S295 VanDerWaalsContact CE1-OG 3.3Å; F253-S295 WeakPolarHBondContact CE1-OG 3.22Å
254	A	88.8	Confident	83.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.6	175.8	0	0	0	0	0	110.9	F259 L260 L261 I294 F296	A254-F259 HydrophobicContact CB-CD1 4.5Å; A254-L260 WeakPolarHBondContact CA-O 3.41Å; A254-L261 HydrophobicContact CB-CD2 3.7Å; A254-I294 HydrophobicContact CB-CB 4.35Å; A254-I294 PolarHBondContact N-O 2.86Å; A254-I294 PolarHBondContact O-N 3.28Å; A254-F296 HydrophobicContact CB-CB 4.31Å; A254-F296 HydrophobicContact CB-CD2 3.89Å; A254-F296 HydrophobicContact CB-CE2 4.46Å; A254-F296 HydrophobicContact CB-CG 4.17Å
255	C	88.6	Confident	84.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.			trans	-73.6	126.9	170.1	177.3	0	0	0	0	110.3	N257 C258 F259 L260 F262	C255-N257 PolarHBondContact O-N 3.47Å; C255-N257 VanDerWaalsContact O-N 3.07Å; C255-C258 WeakPolarHBondContact CB-SG 3.35Å; C255-C258 PolarHBondContact O-N 3.34Å; C255-F259 WeakPolarHBondContact O-CA 3.33Å; C255-F259 PolarHBondContact O-N 3.08Å; C255-L260 PolarHBondContact N-O 3.41Å; C255-F262 HydrophobicContact CB-CE2 4.08Å
256	P	85	Confident	85	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.4	-174.9	28.9	-37.7	0	0	0	115.2	M272 Q280 S281 A291 H292 I294	P256-M272 VanDerWaalsContact CD-SD 3.58Å; P256-M272 HydrophobicContact CG-CE 3.49Å; P256-M272 VanDerWaalsContact CG-CE 3.49Å; P256-M272 HydrophobicContact CG-SD 4.12Å; P256-Q280 HydrophobicContact CB-CB 4.28Å; P256-Q280 HydrophobicContact CB-CG 4.03Å; P256-Q280 WeakPolarHBondContact O-CA 3.43Å; P256-S281 PolarHBondContact O-N 2.63Å; P256-S281 PolarHBondContact O-OG 2.94Å; P256-S281 VanDerWaalsContact O-OG 3.11Å; P256-A291 HydrophobicContact CB-CB 4.2Å; P256-A291 HydrophobicContact CG-CB 3.62Å; P256-H292 WeakPolarHBondContact CG-O 3.4Å; P256-I294 HydrophobicContact CB-CD1 3.88Å; P256-I294 HydrophobicContact CB-CG1 4.24Å
257	N	86.3	Confident	85.6	Confident	53 Å²	53	30 Å²	30	28%	0.283	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-38.7	177.7	-166.6	46.8	0	0	0	113.9	C255 H277 H279 S281 T352	C255-N257 PolarHBondContact O-N 3.47Å; C255-N257 VanDerWaalsContact O-N 3.07Å; N257-H277 HydrophobicContact CB-CB 3.7Å; N257-H277 PolarHBondContact ND2-CD2 3.45Å; N257-H277 PolarHBondContact ND2-NE2 3.12Å; N257-H279 WeakPolarHBondContact CB-O 3.32Å; N257-S281 VanDerWaalsContact C-OG 3.27Å; N257-S281 WeakPolarHBondContact CA-OG 3.12Å; N257-S281 PolarHBondContact O-OG 2.83Å; N257-T352 WeakPolarHBondContact O-CG2 3.27Å
258	C	87.1	Confident	85.9	Confident	24 Å²	24	29 Å²	29	16%	0.162	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-8.2	-171.5	64.7	0	0	0	0	114.5	C255 L260 H271	C255-C258 WeakPolarHBondContact CB-SG 3.35Å; C255-C258 PolarHBondContact O-N 3.34Å; C258-L260 HydrophobicContact CB-CG 4.5Å; C258-L260 PolarHBondContact O-N 3.45Å; C258-L260 VanDerWaalsContact O-N 3.08Å; C258-H271 PolarHBondContact SG-NE2 3.17Å; C258-H271 VanDerWaalsContact SG-NE2 3.4Å
259	F	88	Confident	86.2	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.161	C	C	.	.			trans	57.3	17.3	179.9	-71.6	-99.3	0	0	0	116.1	A254 C255 F282 I294 I351 T352 A355 V394	A254-F259 HydrophobicContact CB-CD1 4.5Å; C255-F259 WeakPolarHBondContact O-CA 3.33Å; C255-F259 PolarHBondContact O-N 3.08Å; F259-F282 AromaticContact CE2-CD2 3.86Å; F259-F282 HydrophobicContact CE2-CD2 3.86Å; F259-F282 AromaticContact CE2-CE2 3.65Å; F259-F282 HydrophobicContact CE2-CE2 3.65Å; F259-F282 AromaticContact CZ-CD2 3.75Å; F259-F282 HydrophobicContact CZ-CD2 3.75Å; F259-F282 AromaticContact CZ-CE2 3.73Å; F259-F282 HydrophobicContact CZ-CE2 3.73Å; F259-I294 HydrophobicContact CE1-CD1 4.24Å; F259-I294 HydrophobicContact CZ-CD1 4.31Å; F259-I351 HydrophobicContact CB-CG2 3.86Å; F259-T352 HydrophobicContact CD2-CG2 4.17Å; F259-A355 HydrophobicContact CB-CB 4.05Å; F259-A355 HydrophobicContact CD1-CB 3.45Å; F259-A355 VanDerWaalsContact CD1-CB 3.45Å; F259-A355 HydrophobicContact CD2-CB 4.09Å; F259-A355 HydrophobicContact CE1-CB 3.84Å; F259-A355 HydrophobicContact CE2-CB 4.43Å; F259-A355 HydrophobicContact CG-CB 3.58Å; F259-A355 HydrophobicContact CZ-CB 4.31Å; F259-V394 HydrophobicContact CE1-CG1 4.18Å; F259-V394 HydrophobicContact CZ-CG1 4.06Å
260	L	88.4	Confident	86.3	Confident	28 Å²	28	34.4 Å²	34.4	15%	0.147	18%	0.175	C	C	.	.			trans	-60.9	142.1	161.8	-66.2	179.7	0	0	0	110.6	I202 T203 A254 C255 C258 F262 I351	I202-L260 HydrophobicContact CG2-CD2 3.89Å; T203-L260 HydrophobicContact CG2-CD1 4.5Å; A254-L260 WeakPolarHBondContact CA-O 3.41Å; C255-L260 PolarHBondContact N-O 3.41Å; C258-L260 HydrophobicContact CB-CG 4.5Å; C258-L260 PolarHBondContact O-N 3.45Å; C258-L260 VanDerWaalsContact O-N 3.08Å; L260-F262 HydrophobicContact CB-CE2 3.92Å; L260-F262 HydrophobicContact CB-CZ 4.18Å; L260-F262 WeakPolarHBondContact O-CE2 3.45Å; L260-I351 HydrophobicContact CD2-CD1 3.66Å
261	L	88.7	Confident	86.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.8	-175.5	-54.2	176.9	0	0	0	111.4	P200 T203 L204 F253 A254 F296 K301 L304	P200-L261 HydrophobicContact CB-CD1 4.27Å; P200-L261 HydrophobicContact CB-CG 4.25Å; P200-L261 WeakPolarHBondContact O-CB 3.41Å; P200-L261 WeakPolarHBondContact O-CG 3.46Å; P200-L261 PolarHBondContact O-N 2.69Å; T203-L261 CarbonylContact C-O 3.55Å; T203-L261 PolarHBondContact OG1-O 3.12Å; L204-L261 HydrophobicContact CD1-CB 4.06Å; L204-L261 HydrophobicContact CD1-CD1 4.39Å; L204-L261 VanDerWaalsContact CD2-C 3.45Å; L204-L261 HydrophobicContact CD2-CB 3.76Å; L204-L261 WeakPolarHBondContact CD2-O 3.11Å; L204-L261 HydrophobicContact CG-CB 3.92Å; L204-L261 WeakPolarHBondContact CG-O 3.34Å; F253-L261 WeakPolarHBondContact O-CA 3.22Å; A254-L261 HydrophobicContact CB-CD2 3.7Å; L261-F296 HydrophobicContact CD2-CB 4.36Å; L261-F296 HydrophobicContact CD2-CD1 3.7Å; L261-F296 HydrophobicContact CD2-CE1 4.14Å; L261-F296 HydrophobicContact CD2-CG 4.05Å; L261-K301 HydrophobicContact CD1-CG 4.14Å; L261-L304 HydrophobicContact CD2-CD2 4.46Å
262	F	87.8	Confident	86.6	Confident	10 Å²	10	33.5 Å²	33.5	4%	0.044	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.7	-179.6	-59.5	-93	0	0	0	110	T203 C252 F253 C255 L260 E267 C268 H271	T203-F262 VanDerWaalsContact CB-CE1 3.48Å; T203-F262 HydrophobicContact CG2-CD1 4.49Å; T203-F262 HydrophobicContact CG2-CE1 3.7Å; T203-F262 HydrophobicContact CG2-CZ 4Å; C252-F262 CarbonylContact C-O 3.59Å; C252-F262 WeakPolarHBondContact CA-O 3.46Å; C252-F262 WeakPolarHBondContact CB-O 3.4Å; F253-F262 PolarHBondContact N-O 3.13Å; F253-F262 PolarHBondContact O-N 2.94Å; C255-F262 HydrophobicContact CB-CE2 4.08Å; L260-F262 HydrophobicContact CB-CE2 3.92Å; L260-F262 HydrophobicContact CB-CZ 4.18Å; L260-F262 WeakPolarHBondContact O-CE2 3.45Å; F262-E267 HydrophobicContact CB-CB 4.32Å; F262-E267 HydrophobicContact CD1-CB 3.94Å; F262-E267 HydrophobicContact CG-CB 4.49Å; F262-C268 HydrophobicContact CB-CB 3.91Å; F262-C268 HydrophobicContact CD2-CB 3.52Å; F262-C268 HydrophobicContact CE2-CB 4.24Å; F262-C268 HydrophobicContact CG-CB 3.72Å; F262-H271 HydrophobicContact CE1-CB 3.73Å; F262-H271 HydrophobicContact CE2-CB 4.35Å; F262-H271 HydrophobicContact CZ-CB 3.52Å; F262-H271 AromaticContact CZ-CD2 3.83Å; F262-H271 AromaticContact CZ-CG 3.39Å; F262-H271 AromaticContact CZ-ND1 3.65Å
263	S	84.6	Confident	86.5	Confident	14 Å²	14	36.7 Å²	36.7	10%	0.098	19%	0.193	C	C	.	.	S	Bend	trans	-73.9	-36.3	177.6	47.9	0	0	0	0	111.8	H205 E267	H205-S263 VanDerWaalsContact O-CB 3.3Å; H205-S263 WeakPolarHBondContact O-CB 3.46Å; H205-S263 PolarHBondContact O-OG 3.33Å; S263-E267 PolarHBondContact OG-OE2 3.45Å
264	S	84.1	Confident	86.2	Confident	38 Å²	38	37.8 Å²	37.8	27%	0.266	22%	0.216	S	C	.	.	S	Bend	trans	-109.6	158.6	172.1	78.5	0	0	0	0	114.5	F253 D266 E267 C268	F253-S264 VanDerWaalsContact CD2-C 3.44Å; S264-D266 VanDerWaalsContact C-N 3.27Å; S264-D266 PolarHBondContact O-N 3.48Å; S264-D266 PolarHBondContact OG-N 3.06Å; S264-E267 WeakPolarHBondContact CB-OE2 3.31Å; S264-E267 PolarHBondContact N-OE2 2.98Å; S264-E267 VanDerWaalsContact OG-CG 3.29Å; S264-E267 WeakPolarHBondContact OG-CG 3.28Å; S264-E267 PolarHBondContact OG-N 3.37Å; S264-E267 VanDerWaalsContact OG-N 3.1Å; S264-E267 PolarHBondContact OG-OE2 3.35Å; S264-C268 PolarHBondContact O-N 2.84Å
265	K	85.1	Confident	85.9	Confident	99 Å²	99	43.7 Å²	43.7	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-33.6	170.7	-172	-174	175.2	-169.4	0	111.7	F253 C268 S269 P293	F253-K265 HydrophobicContact CD1-CB 4.04Å; F253-K265 HydrophobicContact CD1-CG 4.25Å; F253-K265 HydrophobicContact CD2-CB 4.24Å; F253-K265 VanDerWaalsContact CD2-N 3.32Å; F253-K265 HydrophobicContact CE1-CB 3.92Å; F253-K265 HydrophobicContact CE1-CG 4.27Å; F253-K265 HydrophobicContact CE2-CB 4.15Å; F253-K265 HydrophobicContact CG-CB 4.2Å; F253-K265 HydrophobicContact CZ-CB 3.99Å; K265-C268 PolarHBondContact O-N 3.39Å; K265-S269 WeakPolarHBondContact O-CB 3.41Å; K265-S269 PolarHBondContact O-N 2.92Å; K265-S269 PolarHBondContact O-OG 3.36Å; K265-P293 HydrophobicContact CG-CB 4.07Å; K265-P293 HydrophobicContact CG-CG 3.99Å
266	D	85.1	Confident	85.6	Confident	103 Å²	103	49.3 Å²	49.3	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-77	-34.3	-172.4	-60.3	-22.6	0	0	0	111.8	S264 S269 K270	S264-D266 VanDerWaalsContact C-N 3.27Å; S264-D266 PolarHBondContact O-N 3.48Å; S264-D266 PolarHBondContact OG-N 3.06Å; D266-S269 PolarHBondContact O-N 3.32Å; D266-K270 WeakPolarHBondContact O-CB 3.44Å; D266-K270 WeakPolarHBondContact O-CD 3.42Å; D266-K270 VanDerWaalsContact O-CG 3.22Å; D266-K270 WeakPolarHBondContact O-CG 3.45Å; D266-K270 PolarHBondContact O-N 3.47Å
267	E	85.7	Confident	85.5	Confident	75 Å²	75	50.8 Å²	50.8	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-44.3	170.8	-70.1	151.5	153.2	0	0	111.5	F262 S263 S264 S269 K270 H271	F262-E267 HydrophobicContact CB-CB 4.32Å; F262-E267 HydrophobicContact CD1-CB 3.94Å; F262-E267 HydrophobicContact CG-CB 4.49Å; S263-E267 PolarHBondContact OG-OE2 3.45Å; S264-E267 WeakPolarHBondContact CB-OE2 3.31Å; S264-E267 PolarHBondContact N-OE2 2.98Å; S264-E267 VanDerWaalsContact OG-CG 3.29Å; S264-E267 WeakPolarHBondContact OG-CG 3.28Å; S264-E267 PolarHBondContact OG-N 3.37Å; S264-E267 VanDerWaalsContact OG-N 3.1Å; S264-E267 PolarHBondContact OG-OE2 3.35Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-S269 PolarHBondContact O-N 3.28Å; E267-K270 PolarHBondContact O-N 3.37Å; E267-H271 WeakPolarHBondContact O-CB 3.35Å; E267-H271 PolarHBondContact O-N 3.23Å
268	C	86.6	Confident	85.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-41.5	173	-170.6	0	0	0	0	111.3	F253 F262 S264 K265 H271 M272 P293	F253-C268 HydrophobicContact CB-CB 4.28Å; F262-C268 HydrophobicContact CB-CB 3.91Å; F262-C268 HydrophobicContact CD2-CB 3.52Å; F262-C268 HydrophobicContact CE2-CB 4.24Å; F262-C268 HydrophobicContact CG-CB 3.72Å; S264-C268 PolarHBondContact O-N 2.84Å; K265-C268 PolarHBondContact O-N 3.39Å; C268-H271 WeakPolarHBondContact O-CB 3.47Å; C268-H271 PolarHBondContact O-N 3.38Å; C268-M272 WeakPolarHBondContact O-CB 3.27Å; C268-M272 VanDerWaalsContact O-CG 3.23Å; C268-M272 WeakPolarHBondContact O-CG 3.31Å; C268-M272 PolarHBondContact O-N 3.21Å; C268-P293 HydrophobicContact CB-CB 3.95Å; C268-P293 HydrophobicContact CB-CG 4.01Å
269	S	85.6	Confident	84.5	Confident	43 Å²	43	58.4 Å²	58.4	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-41.6	176.9	-55.2	0	0	0	0	112.3	K265 D266 E267 M272 S273 P293	K265-S269 WeakPolarHBondContact O-CB 3.41Å; K265-S269 PolarHBondContact O-N 2.92Å; K265-S269 PolarHBondContact O-OG 3.36Å; D266-S269 PolarHBondContact O-N 3.32Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-S269 PolarHBondContact O-N 3.28Å; S269-M272 PolarHBondContact O-N 3.02Å; S269-S273 PolarHBondContact O-N 3.38Å; S269-S273 PolarHBondContact O-OG 3.36Å; S269-P293 WeakPolarHBondContact OG-CG 3.34Å
270	K	85.5	Confident	83.9	Confident	142 Å²	142	61.5 Å²	61.5	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-64	-40.9	173.9	-72.5	163.6	-174	170.2	0	112.2	D266 E267 M272 S273 G274	D266-K270 WeakPolarHBondContact O-CB 3.44Å; D266-K270 WeakPolarHBondContact O-CD 3.42Å; D266-K270 VanDerWaalsContact O-CG 3.22Å; D266-K270 WeakPolarHBondContact O-CG 3.45Å; D266-K270 PolarHBondContact O-N 3.47Å; E267-K270 PolarHBondContact O-N 3.37Å; K270-M272 VanDerWaalsContact C-N 3.33Å; K270-S273 PolarHBondContact O-N 3.21Å; K270-S273 PolarHBondContact O-OG 3.34Å; K270-G274 PolarHBondContact O-N 3.23Å
271	H	86.4	Confident	83.2	Confident	28 Å²	28	62.4 Å²	62.4	13%	0.13	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-43.4	172.4	172.8	93.3	0	0	0	111.1	C258 F262 E267 C268 G274 K275 H277	C258-H271 PolarHBondContact SG-NE2 3.17Å; C258-H271 VanDerWaalsContact SG-NE2 3.4Å; F262-H271 HydrophobicContact CE1-CB 3.73Å; F262-H271 HydrophobicContact CE2-CB 4.35Å; F262-H271 HydrophobicContact CZ-CB 3.52Å; F262-H271 AromaticContact CZ-CD2 3.83Å; F262-H271 AromaticContact CZ-CG 3.39Å; F262-H271 AromaticContact CZ-ND1 3.65Å; E267-H271 WeakPolarHBondContact O-CB 3.35Å; E267-H271 PolarHBondContact O-N 3.23Å; C268-H271 WeakPolarHBondContact O-CB 3.47Å; C268-H271 PolarHBondContact O-N 3.38Å; H271-G274 PolarHBondContact O-N 2.84Å; H271-K275 PolarHBondContact O-N 3.37Å; H271-H277 AromaticContact CD2-ND1 3.7Å; H271-H277 AromaticContact NE2-CE1 3.46Å; H271-H277 PolarHBondContact NE2-CE1 2.88Å; H271-H277 AromaticContact NE2-ND1 3.13Å; H271-H277 PolarHBondContact NE2-ND1 3.19Å; H271-H277 VanDerWaalsContact NE2-ND1 3.13Å
272	M	85	Confident	82.7	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-42.4	179.5	-72.8	168.4	69.8	0	0	112.6	P256 C268 S269 K270 N276 H277 A291 P293	P256-M272 VanDerWaalsContact CD-SD 3.58Å; P256-M272 HydrophobicContact CG-CE 3.49Å; P256-M272 VanDerWaalsContact CG-CE 3.49Å; P256-M272 HydrophobicContact CG-SD 4.12Å; C268-M272 WeakPolarHBondContact O-CB 3.27Å; C268-M272 VanDerWaalsContact O-CG 3.23Å; C268-M272 WeakPolarHBondContact O-CG 3.31Å; C268-M272 PolarHBondContact O-N 3.21Å; S269-M272 PolarHBondContact O-N 3.02Å; K270-M272 VanDerWaalsContact C-N 3.33Å; M272-N276 CarbonylContact O-C 3.59Å; M272-N276 WeakPolarHBondContact O-CA 3.17Å; M272-N276 PolarHBondContact O-N 3.03Å; M272-N276 VanDerWaalsContact O-N 3.09Å; M272-H277 HydrophobicContact CB-CB 4.43Å; M272-H277 WeakPolarHBondContact CE-O 3.23Å; M272-H277 HydrophobicContact CG-CB 4.2Å; M272-H277 PolarHBondContact O-N 3.06Å; M272-A291 HydrophobicContact CE-CB 4.15Å; M272-A291 WeakPolarHBondContact CE-O 3.38Å; M272-P293 HydrophobicContact SD-CG 3.9Å
273	S	85.3	Confident	82	Confident	67 Å²	67	71.4 Å²	71.4	47%	0.469	37%	0.37	S	S	.	.	H	α-helix	trans	-68.6	-40.9	172.2	54.3	0	0	0	0	112.8	S269 K270 K275 N276	S269-S273 PolarHBondContact O-N 3.38Å; S269-S273 PolarHBondContact O-OG 3.36Å; K270-S273 PolarHBondContact O-N 3.21Å; K270-S273 PolarHBondContact O-OG 3.34Å; S273-K275 PolarHBondContact O-N 3.16Å; S273-N276 PolarHBondContact O-N 3.46Å
274	G	82.8	Confident	81.2	Confident	62 Å²	62	71.2 Å²	71.2	64%	0.639	37%	0.368	S	S	*	.	H	α-helix	trans	-69.3	-30	-176.9	0	0	0	0	0	114.5	K270 H271	K270-G274 PolarHBondContact O-N 3.23Å; H271-G274 PolarHBondContact O-N 2.84Å
275	K	82.2	Confident	80	Confident	124 Å²	124	71.1 Å²	71.1	54%	0.539	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	13.3	176.5	-61.4	-155.6	176.9	-168.7	0	113.9	H271 S273 H277	H271-K275 PolarHBondContact O-N 3.37Å; S273-K275 PolarHBondContact O-N 3.16Å; K275-H277 PolarHBondContact O-CD2 2.88Å; K275-H277 PolarHBondContact O-N 3.44Å
276	N	82.2	Confident	78.4	Confident	118 Å²	118	75.6 Å²	75.6	63%	0.631	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	31	-177.4	-62.9	-60.9	0	0	0	114.7	M272 S273 F278	M272-N276 CarbonylContact O-C 3.59Å; M272-N276 WeakPolarHBondContact O-CA 3.17Å; M272-N276 PolarHBondContact O-N 3.03Å; M272-N276 VanDerWaalsContact O-N 3.09Å; S273-N276 PolarHBondContact O-N 3.46Å; N276-F278 HydrophobicContact CB-CD2 4.28Å; N276-F278 HydrophobicContact CB-CE2 4.18Å; N276-F278 PolarHBondContact O-N 3.29Å
277	H	84.2	Confident	76.8	Confident	31 Å²	31	76.7 Å²	76.7	14%	0.144	40%	0.402	C	S	.	.			trans	-78.4	53.9	-179.5	-68.4	178	0	0	0	112.4	N257 H271 M272 K275	N257-H277 HydrophobicContact CB-CB 3.7Å; N257-H277 PolarHBondContact ND2-CD2 3.45Å; N257-H277 PolarHBondContact ND2-NE2 3.12Å; H271-H277 AromaticContact CD2-ND1 3.7Å; H271-H277 AromaticContact NE2-CE1 3.46Å; H271-H277 PolarHBondContact NE2-CE1 2.88Å; H271-H277 AromaticContact NE2-ND1 3.13Å; H271-H277 PolarHBondContact NE2-ND1 3.19Å; H271-H277 VanDerWaalsContact NE2-ND1 3.13Å; M272-H277 HydrophobicContact CB-CB 4.43Å; M272-H277 WeakPolarHBondContact CE-O 3.23Å; M272-H277 HydrophobicContact CG-CB 4.2Å; M272-H277 PolarHBondContact O-N 3.06Å; K275-H277 PolarHBondContact O-CD2 2.88Å; K275-H277 PolarHBondContact O-N 3.44Å
278	F	76.5	Confident	75.3	Confident	87 Å²	87	83.3 Å²	83.3	38%	0.382	43%	0.43	S	S	.	.			trans	-85.4	-9.4	-179.5	-57.9	-66	0	0	0	114.1	N276 I290 A291	N276-F278 HydrophobicContact CB-CD2 4.28Å; N276-F278 HydrophobicContact CB-CE2 4.18Å; N276-F278 PolarHBondContact O-N 3.29Å; F278-I290 HydrophobicContact CD1-CG2 4.2Å; F278-A291 WeakPolarHBondContact O-CB 3.3Å; F278-A291 PolarHBondContact O-N 3.4Å; F278-A291 VanDerWaalsContact O-N 3.14Å
279	H	74.7	Confident	73.9	Confident	150 Å²	150	86.1 Å²	86.1	69%	0.694	46%	0.459	S	S	*	.	S	Bend	trans	-97.8	154.6	174.5	-60.3	-56.6	0	0	0	111.2	N257	N257-H279 WeakPolarHBondContact CB-O 3.32Å
280	Q	74.6	Confident	72.8	Confident	65 Å²	65	90 Å²	90	30%	0.304	48%	0.475	S	S	.	.			trans	-103.6	135.2	176.5	-175.5	165.1	54.2	0	0	109.8	P256 F282 A291 V394	P256-Q280 HydrophobicContact CB-CB 4.28Å; P256-Q280 HydrophobicContact CB-CG 4.03Å; P256-Q280 WeakPolarHBondContact O-CA 3.43Å; Q280-F282 VanDerWaalsContact C-N 3.28Å; Q280-F282 PolarHBondContact O-N 2.63Å; Q280-A291 HydrophobicContact CB-CB 4.4Å; Q280-V394 HydrophobicContact CG-CG2 4.14Å
281	S	74.8	Confident	72.3	Confident	48 Å²	48	84 Å²	84	34%	0.336	45%	0.452	S	S	.	.	S	Bend	trans	-62.6	-36.4	-176.1	-27.3	0	0	0	0	112.2	P256 N257	P256-S281 PolarHBondContact O-N 2.63Å; P256-S281 PolarHBondContact O-OG 2.94Å; P256-S281 VanDerWaalsContact O-OG 3.11Å; N257-S281 VanDerWaalsContact C-OG 3.27Å; N257-S281 WeakPolarHBondContact CA-OG 3.12Å; N257-S281 PolarHBondContact O-OG 2.83Å
282	F	77.3	Confident	72	Confident	24 Å²	24	88.7 Å²	88.7	11%	0.105	47%	0.473	C	S	.	.	S	Bend	trans	-109.7	117.9	-176.9	-58.1	-72.9	0	0	0	111.2	F259 Q280 L284 T352 E356 I359 V394	F259-F282 AromaticContact CE2-CD2 3.86Å; F259-F282 HydrophobicContact CE2-CD2 3.86Å; F259-F282 AromaticContact CE2-CE2 3.65Å; F259-F282 HydrophobicContact CE2-CE2 3.65Å; F259-F282 AromaticContact CZ-CD2 3.75Å; F259-F282 HydrophobicContact CZ-CD2 3.75Å; F259-F282 AromaticContact CZ-CE2 3.73Å; F259-F282 HydrophobicContact CZ-CE2 3.73Å; Q280-F282 VanDerWaalsContact C-N 3.28Å; Q280-F282 PolarHBondContact O-N 2.63Å; F282-L284 PolarHBondContact O-N 2.86Å; F282-T352 WeakPolarHBondContact CZ-O 3.33Å; F282-E356 HydrophobicContact CE1-CB 3.87Å; F282-E356 HydrophobicContact CE1-CG 3.8Å; F282-E356 HydrophobicContact CZ-CB 3.71Å; F282-E356 HydrophobicContact CZ-CG 4.18Å; F282-I359 HydrophobicContact CB-CD1 4.14Å; F282-I359 HydrophobicContact CB-CG1 4.46Å; F282-I359 HydrophobicContact CD1-CD1 4.48Å; F282-I359 HydrophobicContact CD1-CG1 3.98Å; F282-I359 HydrophobicContact CD2-CD1 3.56Å; F282-I359 HydrophobicContact CD2-CG1 3.81Å; F282-I359 HydrophobicContact CE1-CG1 4.13Å; F282-I359 HydrophobicContact CE2-CD1 4.05Å; F282-I359 HydrophobicContact CE2-CG1 3.95Å; F282-I359 HydrophobicContact CG-CD1 3.81Å; F282-I359 HydrophobicContact CG-CG1 3.82Å; F282-I359 HydrophobicContact CZ-CG1 4.11Å; F282-V394 HydrophobicContact CB-CG2 4.09Å
283	K	74.6	Confident	72	Confident	174 Å²	174	89 Å²	89	76%	0.757	48%	0.476	S	S	*	.			trans	-89	103.7	175.6	-65.1	178	-177.9	175	0	110.1	R361	K283-R361 PolarHBondContact O-NH1 3.31Å; K283-R361 PolarHBondContact O-NH2 2.95Å
284	L	66.1	Low	72	Confident	10 Å²	10	86 Å²	86	5%	0.052	45%	0.454	C	S	.	.			trans	-98.3	-7.3	176.5	-77.2	166.4	0	0	0	113.9	F282 I359 L360 S393 V394	F282-L284 PolarHBondContact O-N 2.86Å; L284-I359 HydrophobicContact CD1-CG2 4.44Å; L284-I359 HydrophobicContact CD2-CG2 4.11Å; L284-L360 WeakPolarHBondContact CD2-O 3.4Å; L284-S393 VanDerWaalsContact CD1-C 3.48Å; L284-V394 HydrophobicContact CD1-CB 4.41Å; L284-V394 HydrophobicContact CD1-CG2 3.81Å
285	G	60.7	Low	72.2	Confident	37 Å²	37	83.2 Å²	83.2	38%	0.381	43%	0.425	S	S	.	.	S	Bend	trans	-170.7	178.5	175	0	0	0	0	0	112.6	N287	G285-N287 PolarHBondContact O-N 3.33Å
286	E	51.5	Low	72.4	Confident	193 Å²	193	77.3 Å²	77.3	90%	0.902	40%	0.399	S	S	*	.			trans	-75.1	16.8	-176.1	-60	-158.3	136.8	0	0	115.2	K288	E286-K288 PolarHBondContact O-N 3.34Å
287	N	51.3	Low	72.7	Confident	126 Å²	126	71.7 Å²	71.7	67%	0.674	37%	0.369	S	S	*	.			trans	-68	97.1	-173.7	-78.6	-39.6	0	0	0	112.3	G285 G289	G285-N287 PolarHBondContact O-N 3.33Å; N287-G289 PolarHBondContact O-N 3.24Å
288	K	52.9	Low	72.7	Confident	214 Å²	214	71.4 Å²	71.4	93%	0.93	37%	0.371	S	S	*	.			trans	-71.1	22.6	171.5	-60	177.7	-175.8	172.3	0	113.7	E286	E286-K288 PolarHBondContact O-N 3.34Å
289	G	58.5	Low	73.1	Confident	59 Å²	59	70.2 Å²	70.2	61%	0.608	37%	0.366	S	S	*	.	S	Bend	trans	-80.8	158.1	-179.8	0	0	0	0	0	112.5	N287 A291	N287-G289 PolarHBondContact O-N 3.24Å; G289-A291 PolarHBondContact O-N 2.71Å
290	I	62.6	Low	73.6	Confident	125 Å²	125	63.1 Å²	63.1	64%	0.641	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-64.4	129.4	169.5	-59.9	167.2	0	0	0	108	F278 H292	F278-I290 HydrophobicContact CD1-CG2 4.2Å; I290-H292 PolarHBondContact O-CE1 2.57Å; I290-H292 PolarHBondContact O-ND1 3.38Å
291	A	73.7	Confident	74.2	Confident	16 Å²	16	60.9 Å²	60.9	13%	0.132	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.6	144.8	178.4	0	0	0	0	0	111.3	P256 M272 F278 Q280 G289	P256-A291 HydrophobicContact CB-CB 4.2Å; P256-A291 HydrophobicContact CG-CB 3.62Å; M272-A291 HydrophobicContact CE-CB 4.15Å; M272-A291 WeakPolarHBondContact CE-O 3.38Å; F278-A291 WeakPolarHBondContact O-CB 3.3Å; F278-A291 PolarHBondContact O-N 3.4Å; F278-A291 VanDerWaalsContact O-N 3.14Å; Q280-A291 HydrophobicContact CB-CB 4.4Å; G289-A291 PolarHBondContact O-N 2.71Å
292	H	79.9	Confident	74.8	Confident	126 Å²	126	65.6 Å²	65.6	58%	0.583	34%	0.336	S	S	*	.			trans	-118.8	154	-178.7	-76.9	44.7	0	0	0	110.7	P256 I290 I294	P256-H292 WeakPolarHBondContact CG-O 3.4Å; I290-H292 PolarHBondContact O-CE1 2.57Å; I290-H292 PolarHBondContact O-ND1 3.38Å; H292-I294 PolarHBondContact O-N 3.11Å
293	P	85.6	Confident	75.2	Confident	13 Å²	13	66.4 Å²	66.4	8%	0.084	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-55.8	126.3	171.7	-26	34.5	0	0	0	112.3	F253 K265 C268 S269 M272	F253-P293 HydrophobicContact CB-CB 4.2Å; F253-P293 HydrophobicContact CD1-CB 4.38Å; K265-P293 HydrophobicContact CG-CB 4.07Å; K265-P293 HydrophobicContact CG-CG 3.99Å; C268-P293 HydrophobicContact CB-CB 3.95Å; C268-P293 HydrophobicContact CB-CG 4.01Å; S269-P293 WeakPolarHBondContact OG-CG 3.34Å; M272-P293 HydrophobicContact SD-CG 3.9Å
294	I	86	Confident	75.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.9	179.8	-59.4	162.2	0	0	0	108.3	F253 A254 P256 F259 H292 F296 V394 E395	F253-I294 CarbonylContact C-O 3.48Å; F253-I294 WeakPolarHBondContact CA-O 3.25Å; A254-I294 HydrophobicContact CB-CB 4.35Å; A254-I294 PolarHBondContact N-O 2.86Å; A254-I294 PolarHBondContact O-N 3.28Å; P256-I294 HydrophobicContact CB-CD1 3.88Å; P256-I294 HydrophobicContact CB-CG1 4.24Å; F259-I294 HydrophobicContact CE1-CD1 4.24Å; F259-I294 HydrophobicContact CZ-CD1 4.31Å; H292-I294 PolarHBondContact O-N 3.11Å; I294-F296 PolarHBondContact O-N 3.47Å; I294-V394 HydrophobicContact CD1-CB 4.02Å; I294-V394 HydrophobicContact CD1-CG1 3.73Å; I294-E395 HydrophobicContact CG2-CB 4.14Å; I294-E395 HydrophobicContact CG2-CG 4.45Å
295	S	86.3	Confident	76.7	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.3	168.7	-70.9	0	0	0	0	110.1	K220 F253 E395	K220-S295 PolarHBondContact NZ-OG 2.88Å; F253-S295 VanDerWaalsContact CE1-OG 3.3Å; F253-S295 WeakPolarHBondContact CE1-OG 3.22Å; S295-E395 VanDerWaalsContact CB-OE1 3.24Å; S295-E395 WeakPolarHBondContact CB-OE1 3.33Å; S295-E395 PolarHBondContact N-OE1 2.91Å
296	F	86.8	Confident	78	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.6	-172.3	-146.2	-115.8	0	0	0	110.6	C252 A254 L261 I294 A300 K301 L304 F358 V398	C252-F296 PolarHBondContact O-N 3.29Å; A254-F296 HydrophobicContact CB-CB 4.31Å; A254-F296 HydrophobicContact CB-CD2 3.89Å; A254-F296 HydrophobicContact CB-CE2 4.46Å; A254-F296 HydrophobicContact CB-CG 4.17Å; L261-F296 HydrophobicContact CD2-CB 4.36Å; L261-F296 HydrophobicContact CD2-CD1 3.7Å; L261-F296 HydrophobicContact CD2-CE1 4.14Å; L261-F296 HydrophobicContact CD2-CG 4.05Å; I294-F296 PolarHBondContact O-N 3.47Å; F296-A300 HydrophobicContact CD1-CB 4.05Å; F296-A300 HydrophobicContact CE1-CB 3.66Å; F296-A300 WeakPolarHBondContact CE1-O 3.32Å; F296-A300 HydrophobicContact CE2-CB 4.2Å; F296-A300 HydrophobicContact CG-CB 4.49Å; F296-A300 HydrophobicContact CZ-CB 3.73Å; F296-K301 HydrophobicContact CD1-CB 4.22Å; F296-L304 HydrophobicContact CE1-CB 4.09Å; F296-L304 HydrophobicContact CE1-CD2 3.74Å; F296-L304 HydrophobicContact CZ-CB 4.35Å; F296-L304 HydrophobicContact CZ-CD2 3.79Å; F296-F358 HydrophobicContact CZ-CD2 4.49Å; F296-F358 HydrophobicContact CZ-CE2 4.34Å; F296-V398 HydrophobicContact CD2-CG1 4.03Å; F296-V398 HydrophobicContact CE2-CG1 3.88Å; F296-V398 HydrophobicContact CE2-CG2 4.04Å
297	P	87.6	Confident	79.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	154.1	178.7	-24.2	35.7	0	0	0	113.3	I249 F299 A300 K301 V398 L399	I249-P297 CarbonylContact O-C 3.59Å; I249-P297 WeakPolarHBondContact O-CA 3.46Å; P297-F299 VanDerWaalsContact C-N 3.29Å; P297-F299 PolarHBondContact O-N 3.46Å; P297-A300 PolarHBondContact O-N 3.41Å; P297-K301 WeakPolarHBondContact O-CB 3.44Å; P297-K301 PolarHBondContact O-N 2.8Å; P297-V398 HydrophobicContact CG-CG1 4.17Å; P297-L399 HydrophobicContact CG-CD2 3.66Å; P297-L399 HydrophobicContact CG-CG 4.41Å
298	S	85.4	Confident	81.2	Confident	25 Å²	25	47.5 Å²	47.5	18%	0.175	25%	0.25	C	S	.	.	H	α-helix	trans	-64.3	-29.7	-179.1	66.9	0	0	0	0	113.7	I249 K302	I249-S298 WeakPolarHBondContact O-CB 3.44Å; I249-S298 PolarHBondContact O-N 3.37Å; I249-S298 PolarHBondContact O-OG 2.85Å; S298-K302 WeakPolarHBondContact O-CG 3.38Å; S298-K302 PolarHBondContact O-N 3.36Å; S298-K302 VanDerWaalsContact O-N 3.13Å
299	F	84.6	Confident	82.8	Confident	63 Å²	63	45.3 Å²	45.3	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-53.9	170.3	-179.9	-93.5	0	0	0	111.5	P297 K301 K302 L303 Y401 C402 E406	P297-F299 VanDerWaalsContact C-N 3.29Å; P297-F299 PolarHBondContact O-N 3.46Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 2.8Å; F299-K302 PolarHBondContact O-N 3.49Å; F299-K302 VanDerWaalsContact O-N 3.16Å; F299-L303 HydrophobicContact CE1-CD2 4.11Å; F299-L303 PolarHBondContact O-N 3.32Å; F299-Y401 HydrophobicContact CE1-CE1 4.32Å; F299-C402 HydrophobicContact CD1-CB 4.23Å; F299-E406 VanDerWaalsContact CB-OE1 3.32Å; F299-E406 WeakPolarHBondContact CB-OE1 3.44Å; F299-E406 HydrophobicContact CD2-CG 4.19Å; F299-E406 HydrophobicContact CE2-CG 4.42Å; F299-E406 HydrophobicContact CG-CG 4.48Å
300	A	85.9	Confident	84	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-40.8	176.7	0	0	0	0	0	112.3	F296 P297 L303 L304 F358 V398	F296-A300 HydrophobicContact CD1-CB 4.05Å; F296-A300 HydrophobicContact CE1-CB 3.66Å; F296-A300 WeakPolarHBondContact CE1-O 3.32Å; F296-A300 HydrophobicContact CE2-CB 4.2Å; F296-A300 HydrophobicContact CG-CB 4.49Å; F296-A300 HydrophobicContact CZ-CB 3.73Å; P297-A300 PolarHBondContact O-N 3.41Å; A300-L303 PolarHBondContact O-N 3.01Å; A300-L304 VanDerWaalsContact O-CB 3.25Å; A300-L304 WeakPolarHBondContact O-CB 3.41Å; A300-L304 PolarHBondContact O-N 3.41Å; A300-F358 HydrophobicContact CB-CD1 4.15Å; A300-F358 HydrophobicContact CB-CE1 3.7Å; A300-F358 HydrophobicContact CB-CZ 4.21Å; A300-V398 HydrophobicContact CB-CG1 3.74Å
301	K	86.9	Confident	85.2	Confident	18 Å²	18	42.7 Å²	42.7	8%	0.078	22%	0.215	C	C	.	.	H	α-helix	trans	-53.5	-54.9	172.6	-178.8	-174	-172.6	176.6	0	111.2	L261 F296 P297 F299 L303 I305	L261-K301 HydrophobicContact CD1-CG 4.14Å; F296-K301 HydrophobicContact CD1-CB 4.22Å; P297-K301 WeakPolarHBondContact O-CB 3.44Å; P297-K301 PolarHBondContact O-N 2.8Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 2.8Å; K301-L303 PolarHBondContact O-N 2.75Å; K301-I305 HydrophobicContact CG-CD1 3.89Å; K301-I305 WeakPolarHBondContact O-CB 3.45Å; K301-I305 WeakPolarHBondContact O-CD1 3.48Å; K301-I305 WeakPolarHBondContact O-CG1 3.43Å; K301-I305 PolarHBondContact O-N 2.99Å; K301-I305 VanDerWaalsContact O-N 3.08Å
302	K	86.6	Confident	85.8	Confident	148 Å²	148	45 Å²	45	64%	0.643	23%	0.229	S	C	*	.	H	α-helix	trans	-60.4	-46.2	179.5	-71.6	170.7	-178.7	178.5	0	111.8	S298 F299 I305 S306	S298-K302 WeakPolarHBondContact O-CG 3.38Å; S298-K302 PolarHBondContact O-N 3.36Å; S298-K302 VanDerWaalsContact O-N 3.13Å; F299-K302 PolarHBondContact O-N 3.49Å; F299-K302 VanDerWaalsContact O-N 3.16Å; K302-I305 PolarHBondContact O-N 3.09Å; K302-S306 PolarHBondContact O-N 2.9Å
303	L	86.7	Confident	86.3	Confident	40 Å²	40	42 Å²	42	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-43	-177.4	-178.1	58.6	0	0	0	112.4	F299 A300 K301 S306 L307 F358 Y401	F299-L303 HydrophobicContact CE1-CD2 4.11Å; F299-L303 PolarHBondContact O-N 3.32Å; A300-L303 PolarHBondContact O-N 3.01Å; K301-L303 PolarHBondContact O-N 2.75Å; L303-S306 PolarHBondContact O-N 3.14Å; L303-L307 HydrophobicContact CD1-CD1 3.9Å; L303-L307 HydrophobicContact CD1-CG 4.09Å; L303-L307 HydrophobicContact CG-CD1 3.85Å; L303-L307 HydrophobicContact CG-CG 4.47Å; L303-L307 VanDerWaalsContact O-CG 3.28Å; L303-L307 WeakPolarHBondContact O-CG 3.43Å; L303-L307 PolarHBondContact O-N 3.03Å; L303-F358 HydrophobicContact CB-CE1 4.38Å; L303-F358 HydrophobicContact CB-CZ 4.07Å; L303-F358 HydrophobicContact CD2-CE1 3.9Å; L303-F358 HydrophobicContact CD2-CZ 4.05Å; L303-F358 HydrophobicContact CG-CE1 4.36Å; L303-F358 HydrophobicContact CG-CZ 4.03Å; L303-Y401 HydrophobicContact CD2-CE1 3.86Å
304	L	86.3	Confident	86.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-44.4	175.2	-180	62.4	0	0	0	110.8	P200 L261 F296 A300 S306 L307 C308 I351 V354 A355 F358	P200-L304 HydrophobicContact CB-CD2 4.05Å; P200-L304 HydrophobicContact CB-CG 4.29Å; P200-L304 HydrophobicContact CG-CD2 4.49Å; P200-L304 HydrophobicContact CG-CG 4.21Å; L261-L304 HydrophobicContact CD2-CD2 4.46Å; F296-L304 HydrophobicContact CE1-CB 4.09Å; F296-L304 HydrophobicContact CE1-CD2 3.74Å; F296-L304 HydrophobicContact CZ-CB 4.35Å; F296-L304 HydrophobicContact CZ-CD2 3.79Å; A300-L304 VanDerWaalsContact O-CB 3.25Å; A300-L304 WeakPolarHBondContact O-CB 3.41Å; A300-L304 PolarHBondContact O-N 3.41Å; L304-S306 VanDerWaalsContact C-N 3.35Å; L304-S306 PolarHBondContact O-N 2.78Å; L304-L307 PolarHBondContact O-N 3.35Å; L304-C308 WeakPolarHBondContact O-CB 3.49Å; L304-C308 PolarHBondContact O-N 3.1Å; L304-C308 PolarHBondContact O-SG 3.43Å; L304-I351 HydrophobicContact CD1-CG2 4.43Å; L304-V354 HydrophobicContact CD1-CB 4.26Å; L304-V354 HydrophobicContact CD1-CG1 3.89Å; L304-A355 HydrophobicContact CD1-CB 4.33Å; L304-F358 HydrophobicContact CB-CE2 3.98Å; L304-F358 HydrophobicContact CB-CZ 4.14Å; L304-F358 HydrophobicContact CD1-CE2 4.22Å
305	I	86	Confident	86.7	Confident	37 Å²	37	45 Å²	45	19%	0.19	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-42.5	177.4	-67.9	166.5	0	0	0	111.4	P200 T201 K301 K302 K309	P200-I305 HydrophobicContact CG-CG1 4.1Å; T201-I305 HydrophobicContact CG2-CD1 3.48Å; T201-I305 VanDerWaalsContact CG2-CD1 3.48Å; T201-I305 HydrophobicContact CG2-CG1 3.54Å; T201-I305 HydrophobicContact CG2-CG2 4.46Å; K301-I305 HydrophobicContact CG-CD1 3.89Å; K301-I305 WeakPolarHBondContact O-CB 3.45Å; K301-I305 WeakPolarHBondContact O-CD1 3.48Å; K301-I305 WeakPolarHBondContact O-CG1 3.43Å; K301-I305 PolarHBondContact O-N 2.99Å; K301-I305 VanDerWaalsContact O-N 3.08Å; K302-I305 PolarHBondContact O-N 3.09Å; I305-K309 HydrophobicContact CG2-CD 4.39Å; I305-K309 WeakPolarHBondContact O-CG 3.5Å; I305-K309 PolarHBondContact O-N 3.29Å; I305-K309 VanDerWaalsContact O-N 3.13Å
306	S	86.4	Confident	86.9	Confident	61 Å²	61	47.8 Å²	47.8	43%	0.427	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-56.2	176.4	-163.1	0	0	0	0	111	K302 L303 L304 C308 K309 D310	K302-S306 PolarHBondContact O-N 2.9Å; L303-S306 PolarHBondContact O-N 3.14Å; L304-S306 VanDerWaalsContact C-N 3.35Å; L304-S306 PolarHBondContact O-N 2.78Å; S306-C308 PolarHBondContact O-N 3.41Å; S306-C308 VanDerWaalsContact O-N 3.17Å; S306-K309 WeakPolarHBondContact O-CB 3.35Å; S306-K309 PolarHBondContact O-N 2.96Å; S306-D310 PolarHBondContact O-N 3.49Å
307	L	85.4	Confident	87	Confident	44 Å²	44	47.8 Å²	47.8	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-28.2	-176.4	-65.3	167.9	0	0	0	113.2	L303 L304 V311 V354 K357	L303-L307 HydrophobicContact CD1-CD1 3.9Å; L303-L307 HydrophobicContact CD1-CG 4.09Å; L303-L307 HydrophobicContact CG-CD1 3.85Å; L303-L307 HydrophobicContact CG-CG 4.47Å; L303-L307 VanDerWaalsContact O-CG 3.28Å; L303-L307 WeakPolarHBondContact O-CG 3.43Å; L303-L307 PolarHBondContact O-N 3.03Å; L304-L307 PolarHBondContact O-N 3.35Å; L307-V311 WeakPolarHBondContact O-CG2 3.36Å; L307-V354 HydrophobicContact CB-CG1 3.43Å; L307-V354 VanDerWaalsContact CB-CG1 3.43Å; L307-V354 HydrophobicContact CD1-CG1 4.37Å; L307-K357 HydrophobicContact CD1-CD 3.66Å
308	C	86	Confident	87.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-75.3	-34.9	174.2	-78.1	0	0	0	0	113.3	C198 P200 L304 S306 D310 V311	C198-C308 WeakPolarHBondContact O-CB 3.18Å; P200-C308 HydrophobicContact CG-CB 4.09Å; L304-C308 WeakPolarHBondContact O-CB 3.49Å; L304-C308 PolarHBondContact O-N 3.1Å; L304-C308 PolarHBondContact O-SG 3.43Å; S306-C308 PolarHBondContact O-N 3.41Å; S306-C308 VanDerWaalsContact O-N 3.17Å; C308-D310 VanDerWaalsContact C-N 3.28Å; C308-D310 PolarHBondContact O-N 2.9Å; C308-V311 PolarHBondContact O-N 3Å
309	K	85.4	Confident	87.1	Confident	168 Å²	168	53.4 Å²	53.4	73%	0.73	28%	0.279	S	S	*	.	H	α-helix	trans	-67.6	-29.2	174.6	-76.7	178.8	176.6	-170.2	0	112.8	I305 S306 V311	I305-K309 HydrophobicContact CG2-CD 4.39Å; I305-K309 WeakPolarHBondContact O-CG 3.5Å; I305-K309 PolarHBondContact O-N 3.29Å; I305-K309 VanDerWaalsContact O-N 3.13Å; S306-K309 WeakPolarHBondContact O-CB 3.35Å; S306-K309 PolarHBondContact O-N 2.96Å; K309-V311 PolarHBondContact O-N 3.11Å
310	D	84.5	Confident	87.2	Confident	118 Å²	118	53.2 Å²	53.2	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.3	178.6	-59.4	-40.1	0	0	0	113.4	S306 C308 P312	S306-D310 PolarHBondContact O-N 3.49Å; C308-D310 VanDerWaalsContact C-N 3.28Å; C308-D310 PolarHBondContact O-N 2.9Å; D310-P312 WeakPolarHBondContact O-CD 3.3Å
311	V	86.9	Confident	87.2	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.067	32%	0.315	C	S	.	.	S	Bend	trans	-83	121.2	179.2	-177.5	0	0	0	0	111.1	C198 L307 C308 K309 A347 E348 K349 V354	C198-V311 HydrophobicContact CB-CB 4.32Å; C198-V311 HydrophobicContact CB-CG1 4.43Å; L307-V311 WeakPolarHBondContact O-CG2 3.36Å; C308-V311 PolarHBondContact O-N 3Å; K309-V311 PolarHBondContact O-N 3.11Å; V311-A347 HydrophobicContact CG1-CB 3.95Å; V311-E348 HydrophobicContact CG1-CB 4.47Å; V311-K349 HydrophobicContact CG1-CB 3.93Å; V311-K349 HydrophobicContact CG2-CB 4.32Å; V311-V354 HydrophobicContact CG2-CG2 3.89Å
312	P	85.9	Confident	87.3	Confident	66 Å²	66	62.3 Å²	62.3	43%	0.429	33%	0.327	S	S	.	.			trans	-65.8	144.5	174.2	-19.5	33	0	0	0	112.3	D310 A347 E348	D310-P312 WeakPolarHBondContact O-CD 3.3Å; P312-A347 WeakPolarHBondContact O-CA 3.46Å; P312-E348 HydrophobicContact CB-CG 4.17Å; P312-E348 PolarHBondContact O-N 3.42Å
313	F	91.1	Very high	87.4	Confident	62 Å²	62	57.7 Å²	57.7	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.1	173.6	74.1	-86.6	0	0	0	112.1	H195 V315 V346 A347	H195-F313 HydrophobicContact CB-CE2 4.21Å; F313-V315 HydrophobicContact CE2-CG2 4.49Å; F313-V346 CarbonylContact C-O 3.52Å; F313-V346 VanDerWaalsContact CA-O 3.28Å; F313-V346 WeakPolarHBondContact CA-O 3.36Å; F313-A347 HydrophobicContact CB-CB 4.19Å
314	Q	90.1	Very high	87.4	Confident	80 Å²	80	55.9 Å²	55.9	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.5	178.4	-62.9	179.6	13.7	0	0	109.4	T323 V346	Q314-T323 HydrophobicContact CB-CG2 4.09Å; Q314-T323 HydrophobicContact CG-CG2 4.36Å; Q314-T323 PolarHBondContact OE1-OG1 3.1Å; Q314-V346 PolarHBondContact N-O 3.33Å; Q314-V346 PolarHBondContact O-N 3.44Å
315	V	90.2	Very high	87.3	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.2	167.3	-177.1	0	0	0	0	108.4	I173 F193 H195 F313 T323 L324 L330 P343 V344	I173-V315 HydrophobicContact CD1-CG1 4.37Å; I173-V315 HydrophobicContact CG2-CG1 4.29Å; F193-V315 HydrophobicContact CE1-CB 4.16Å; F193-V315 HydrophobicContact CE1-CG2 3.94Å; F193-V315 HydrophobicContact CZ-CB 3.85Å; F193-V315 HydrophobicContact CZ-CG1 4.24Å; F193-V315 HydrophobicContact CZ-CG2 3.87Å; H195-V315 HydrophobicContact CB-CG2 4.06Å; F313-V315 HydrophobicContact CE2-CG2 4.49Å; V315-T323 WeakPolarHBondContact O-CA 3.2Å; V315-L324 PolarHBondContact O-N 3.4Å; V315-L330 HydrophobicContact CG1-CD1 4.26Å; V315-P343 HydrophobicContact CG1-CB 3.92Å; V315-V344 CarbonylContact C-O 3.49Å; V315-V344 WeakPolarHBondContact CA-O 3.37Å
316	K	90.6	Very high	87.3	Confident	61 Å²	61	65.6 Å²	65.6	27%	0.265	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.7	-177.2	-70.3	176.1	179.1	170.2	0	111.2	Q322 T323 P343 V344	K316-Q322 WeakPolarHBondContact CA-O 3.41Å; K316-T323 VanDerWaalsContact CE-OG1 3.22Å; K316-T323 WeakPolarHBondContact CE-OG1 3.47Å; K316-P343 WeakPolarHBondContact O-CA 3.34Å; K316-V344 HydrophobicContact CB-CG1 4.42Å; K316-V344 PolarHBondContact N-O 3.43Å; K316-V344 WeakPolarHBondContact O-CG1 3.2Å; K316-V344 PolarHBondContact O-N 3.03Å
317	C	89	Confident	87.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.1	165.5	177.8	0	0	0	0	110.5	A319 C320 H321 Q322 H333 F334	C317-A319 VanDerWaalsContact C-N 3.33Å; C317-A319 PolarHBondContact O-N 3.15Å; C317-A319 PolarHBondContact SG-N 3.29Å; C317-C320 VanDerWaalsContact SG-SG 3.7Å; C317-H321 WeakPolarHBondContact O-CA 3.49Å; C317-H321 PolarHBondContact O-N 2.89Å; C317-Q322 PolarHBondContact N-O 3.22Å; C317-Q322 VanDerWaalsContact N-O 3.1Å; C317-H333 VanDerWaalsContact CB-NE2 3.34Å; C317-H333 WeakPolarHBondContact CB-NE2 3.21Å; C317-H333 PolarHBondContact SG-NE2 3.03Å; C317-H333 VanDerWaalsContact SG-NE2 3.39Å; C317-F334 HydrophobicContact CB-CE1 4.24Å; C317-F334 HydrophobicContact CB-CZ 3.92Å
318	V	88.2	Confident	87	Confident	71 Å²	71	70.9 Å²	70.9	43%	0.43	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.3	177.5	172.4	0	0	0	0	112.1	M174 H321 G342 V344	M174-V318 HydrophobicContact CE-CG2 3.58Å; V318-H321 PolarHBondContact O-CE1 3.25Å; V318-H321 PolarHBondContact O-ND1 3.13Å; V318-G342 WeakPolarHBondContact CG2-O 3.32Å; V318-G342 PolarHBondContact N-O 3.01Å; V318-G342 VanDerWaalsContact N-O 3.1Å; V318-V344 HydrophobicContact CG2-CB 3.87Å; V318-V344 HydrophobicContact CG2-CG1 3.64Å
319	A	86.4	Confident	86.9	Confident	71 Å²	71	74.6 Å²	74.6	59%	0.587	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-33.5	-173.1	0	0	0	0	0	115.2	C317 A341	C317-A319 VanDerWaalsContact C-N 3.33Å; C317-A319 PolarHBondContact O-N 3.15Å; C317-A319 PolarHBondContact SG-N 3.29Å; A319-A341 HydrophobicContact CB-CB 3.6Å
320	C	86.3	Confident	86.9	Confident	59 Å²	59	67.6 Å²	67.6	40%	0.399	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-0.3	-176.6	73.7	0	0	0	0	114.6	C317 Q322 H333	C317-C320 VanDerWaalsContact SG-SG 3.7Å; C320-Q322 PolarHBondContact O-N 3.45Å; C320-H333 PolarHBondContact SG-CE1 3.35Å; C320-H333 PolarHBondContact SG-NE2 3.45Å
321	H	86.6	Confident	86.8	Confident	138 Å²	138	64 Å²	64	64%	0.639	33%	0.331	S	S	*	.			trans	57.4	9.4	178.6	-50	-37.9	0	0	0	116.5	C317 V318 T323	C317-H321 WeakPolarHBondContact O-CA 3.49Å; C317-H321 PolarHBondContact O-N 2.89Å; V318-H321 PolarHBondContact O-CE1 3.25Å; V318-H321 PolarHBondContact O-ND1 3.13Å; H321-T323 PolarHBondContact O-N 2.72Å
322	Q	88	Confident	86.6	Confident	72 Å²	72	66 Å²	66	34%	0.336	35%	0.348	S	S	.	.			trans	-58.2	123.7	172.1	-176.2	179	-15.9	0	0	109.7	K316 C317 C320 H333	K316-Q322 WeakPolarHBondContact CA-O 3.41Å; C317-Q322 PolarHBondContact N-O 3.22Å; C317-Q322 VanDerWaalsContact N-O 3.1Å; C320-Q322 PolarHBondContact O-N 3.45Å; Q322-H333 PolarHBondContact OE1-CE1 3.39Å; Q322-H333 VanDerWaalsContact OE1-CE1 3.24Å; Q322-H333 PolarHBondContact OE1-ND1 3.5Å; Q322-H333 VanDerWaalsContact OE1-ND1 3.1Å
323	T	89.6	Confident	86.5	Confident	50 Å²	50	63.4 Å²	63.4	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.6	169.9	-57.8	0	0	0	0	110.1	Q314 V315 K316 H321	Q314-T323 HydrophobicContact CB-CG2 4.09Å; Q314-T323 HydrophobicContact CG-CG2 4.36Å; Q314-T323 PolarHBondContact OE1-OG1 3.1Å; V315-T323 WeakPolarHBondContact O-CA 3.2Å; K316-T323 VanDerWaalsContact CE-OG1 3.22Å; K316-T323 WeakPolarHBondContact CE-OG1 3.47Å; H321-T323 PolarHBondContact O-N 2.72Å
324	L	87.3	Confident	86.1	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.5	179.6	-57	166.5	0	0	0	107.7	F193 V315 E329 L330 H333 F334	F193-L324 WeakPolarHBondContact CE1-O 3.34Å; F193-L324 HydrophobicContact CZ-CB 4.35Å; V315-L324 PolarHBondContact O-N 3.4Å; L324-E329 HydrophobicContact CD2-CB 4.43Å; L324-L330 HydrophobicContact CD1-CB 4.19Å; L324-L330 HydrophobicContact CD1-CG 4.12Å; L324-H333 HydrophobicContact CD2-CB 3.72Å; L324-F334 HydrophobicContact CD1-CE2 3.68Å; L324-F334 HydrophobicContact CD1-CZ 4.2Å
325	R	84.4	Confident	85.7	Confident	201 Å²	201	65.3 Å²	65.3	76%	0.758	33%	0.333	S	S	*	.			trans	-112	-7	-171.6	-58.7	177.4	175	-178.7	-2.4	114	F193 E329	F193-R325 VanDerWaalsContact CE1-C 3.4Å; R325-E329 WeakPolarHBondContact CB-OE2 3.48Å; R325-E329 PolarHBondContact N-OE2 2.89Å
326	S	85.2	Confident	85.1	Confident	39 Å²	39	70.6 Å²	70.6	27%	0.273	37%	0.365	S	S	.	.	S	Bend	trans	-152.6	162.4	176.1	68	0	0	0	0	111.9	F193 M328 E329 L330	F193-S326 WeakPolarHBondContact CE2-O 3.15Å; S326-M328 PolarHBondContact O-N 2.84Å; S326-E329 PolarHBondContact O-N 2.94Å; S326-E329 WeakPolarHBondContact OG-CG 3.11Å; S326-E329 PolarHBondContact OG-N 3.13Å; S326-E329 VanDerWaalsContact OG-N 3.13Å; S326-L330 WeakPolarHBondContact O-CB 3.48Å; S326-L330 PolarHBondContact O-N 3.28Å
327	H	81.4	Confident	84.4	Confident	61 Å²	61	76.2 Å²	76.2	28%	0.282	39%	0.385	S	S	.	.	H	α-helix	trans	-56.4	-36.4	171	178.5	-103	0	0	0	112.5	F193 L330 T331	F193-H327 HydrophobicContact CD2-CB 4.34Å; F193-H327 VanDerWaalsContact CD2-N 3.31Å; H327-L330 WeakPolarHBondContact O-CB 3.27Å; H327-L330 PolarHBondContact O-N 3.12Å; H327-T331 PolarHBondContact O-N 3.33Å; H327-T331 PolarHBondContact O-OG1 2.78Å
328	M	84.6	Confident	84	Confident	156 Å²	156	77.1 Å²	77.1	77%	0.768	39%	0.391	S	S	*	.	H	α-helix	trans	-69.2	-43.4	178.4	-63.4	-178.1	75.6	0	0	112.1	S326 L330 A332	S326-M328 PolarHBondContact O-N 2.84Å; M328-L330 VanDerWaalsContact C-N 3.3Å; M328-L330 PolarHBondContact O-N 3Å; M328-A332 VanDerWaalsContact O-CB 3.27Å; M328-A332 WeakPolarHBondContact O-CB 3.1Å; M328-A332 PolarHBondContact O-N 3.18Å
329	E	84	Confident	83.3	Confident	79 Å²	79	82.9 Å²	82.9	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-42.6	172.8	-76.2	177.4	-155.7	0	0	111.4	L324 R325 S326 H333	L324-E329 HydrophobicContact CD2-CB 4.43Å; R325-E329 WeakPolarHBondContact CB-OE2 3.48Å; R325-E329 PolarHBondContact N-OE2 2.89Å; S326-E329 PolarHBondContact O-N 2.94Å; S326-E329 WeakPolarHBondContact OG-CG 3.11Å; S326-E329 PolarHBondContact OG-N 3.13Å; S326-E329 VanDerWaalsContact OG-N 3.13Å; E329-H333 WeakPolarHBondContact O-CB 3.41Å; E329-H333 PolarHBondContact O-N 3.4Å
330	L	84.4	Confident	82.8	Confident	21 Å²	21	87.5 Å²	87.5	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-59.4	-57.7	177.9	-174.9	155.9	0	0	0	110.9	I173 F193 V315 L324 S326 H327 M328 A332 H333 F334 P343	I173-L330 HydrophobicContact CD1-CD1 3.55Å; F193-L330 HydrophobicContact CE2-CB 4.38Å; F193-L330 HydrophobicContact CE2-CD1 3.9Å; F193-L330 HydrophobicContact CZ-CD1 4.45Å; V315-L330 HydrophobicContact CG1-CD1 4.26Å; L324-L330 HydrophobicContact CD1-CB 4.19Å; L324-L330 HydrophobicContact CD1-CG 4.12Å; S326-L330 WeakPolarHBondContact O-CB 3.48Å; S326-L330 PolarHBondContact O-N 3.28Å; H327-L330 WeakPolarHBondContact O-CB 3.27Å; H327-L330 PolarHBondContact O-N 3.12Å; M328-L330 VanDerWaalsContact C-N 3.3Å; M328-L330 PolarHBondContact O-N 3Å; L330-A332 VanDerWaalsContact C-N 3.35Å; L330-A332 PolarHBondContact O-N 3.47Å; L330-H333 WeakPolarHBondContact O-CB 3.33Å; L330-H333 PolarHBondContact O-N 3Å; L330-H333 VanDerWaalsContact O-N 3.12Å; L330-F334 HydrophobicContact CD2-CD2 3.96Å; L330-F334 HydrophobicContact CD2-CE2 4.27Å; L330-F334 HydrophobicContact CG-CD2 4.04Å; L330-F334 HydrophobicContact CG-CE2 3.95Å; L330-F334 WeakPolarHBondContact O-CD2 3.39Å; L330-F334 PolarHBondContact O-N 3.48Å; L330-F334 VanDerWaalsContact O-N 3.08Å; L330-P343 HydrophobicContact CD1-CB 3.8Å; L330-P343 HydrophobicContact CD1-CG 4.07Å; L330-P343 HydrophobicContact CG-CB 4.34Å
331	T	82	Confident	82.4	Confident	42 Å²	42	86 Å²	86	26%	0.258	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-40.2	-177.9	-61.7	0	0	0	0	112.1	H327 R335	H327-T331 PolarHBondContact O-N 3.33Å; H327-T331 PolarHBondContact O-OG1 2.78Å; T331-R335 HydrophobicContact CG2-CG 4.43Å; T331-R335 VanDerWaalsContact O-CB 3.31Å; T331-R335 WeakPolarHBondContact O-CB 3.35Å; T331-R335 VanDerWaalsContact O-CG 3.27Å; T331-R335 WeakPolarHBondContact O-CG 3.44Å; T331-R335 PolarHBondContact O-N 2.94Å
332	A	82.9	Confident	82.2	Confident	53 Å²	53	80.5 Å²	80.5	44%	0.438	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-40.5	174.3	0	0	0	0	0	112.5	M328 L330 V336	M328-A332 VanDerWaalsContact O-CB 3.27Å; M328-A332 WeakPolarHBondContact O-CB 3.1Å; M328-A332 PolarHBondContact O-N 3.18Å; L330-A332 VanDerWaalsContact C-N 3.35Å; L330-A332 PolarHBondContact O-N 3.47Å; A332-V336 WeakPolarHBondContact O-CB 3.27Å; A332-V336 WeakPolarHBondContact O-CG2 3.5Å; A332-V336 PolarHBondContact O-N 3.03Å
333	H	84.1	Confident	82.3	Confident	11 Å²	11	78 Å²	78	5%	0.051	38%	0.383	C	S	.	.	H	α-helix	trans	-63.1	-46.8	-179.6	-178.5	91.8	0	0	0	112.4	C317 C320 Q322 L324 E329 L330 R337 C338	C317-H333 VanDerWaalsContact CB-NE2 3.34Å; C317-H333 WeakPolarHBondContact CB-NE2 3.21Å; C317-H333 PolarHBondContact SG-NE2 3.03Å; C317-H333 VanDerWaalsContact SG-NE2 3.39Å; C320-H333 PolarHBondContact SG-CE1 3.35Å; C320-H333 PolarHBondContact SG-NE2 3.45Å; Q322-H333 PolarHBondContact OE1-CE1 3.39Å; Q322-H333 VanDerWaalsContact OE1-CE1 3.24Å; Q322-H333 PolarHBondContact OE1-ND1 3.5Å; Q322-H333 VanDerWaalsContact OE1-ND1 3.1Å; L324-H333 HydrophobicContact CD2-CB 3.72Å; E329-H333 WeakPolarHBondContact O-CB 3.41Å; E329-H333 PolarHBondContact O-N 3.4Å; L330-H333 WeakPolarHBondContact O-CB 3.33Å; L330-H333 PolarHBondContact O-N 3Å; L330-H333 VanDerWaalsContact O-N 3.12Å; H333-R337 WeakPolarHBondContact O-CA 3.43Å; H333-R337 WeakPolarHBondContact O-CB 3.47Å; H333-R337 PolarHBondContact O-N 3.08Å; H333-C338 PolarHBondContact NE2-SG 3.2Å; H333-C338 PolarHBondContact O-N 3.4Å
334	F	83.3	Confident	82.3	Confident	28 Å²	28	76.6 Å²	76.6	12%	0.123	37%	0.374	C	S	.	.	H	α-helix	trans	-74.8	-37	-179.7	-67.6	-71.1	0	0	0	112.3	C317 L324 L330 V336 C338 R339 A341 G342 P343	C317-F334 HydrophobicContact CB-CE1 4.24Å; C317-F334 HydrophobicContact CB-CZ 3.92Å; L324-F334 HydrophobicContact CD1-CE2 3.68Å; L324-F334 HydrophobicContact CD1-CZ 4.2Å; L330-F334 HydrophobicContact CD2-CD2 3.96Å; L330-F334 HydrophobicContact CD2-CE2 4.27Å; L330-F334 HydrophobicContact CG-CD2 4.04Å; L330-F334 HydrophobicContact CG-CE2 3.95Å; L330-F334 WeakPolarHBondContact O-CD2 3.39Å; L330-F334 PolarHBondContact O-N 3.48Å; L330-F334 VanDerWaalsContact O-N 3.08Å; F334-V336 PolarHBondContact O-N 3.17Å; F334-C338 HydrophobicContact CD1-CB 4.13Å; F334-C338 WeakPolarHBondContact CD1-O 3.38Å; F334-C338 HydrophobicContact CE1-CB 4.27Å; F334-R339 WeakPolarHBondContact O-CA 3.28Å; F334-R339 WeakPolarHBondContact O-CG 3.47Å; F334-R339 PolarHBondContact O-N 3.33Å; F334-A341 WeakPolarHBondContact CD1-O 3.37Å; F334-A341 HydrophobicContact CE1-CB 4.07Å; F334-A341 WeakPolarHBondContact CE1-O 3.38Å; F334-G342 VanDerWaalsContact CZ-C 3.49Å; F334-P343 HydrophobicContact CE2-CB 3.89Å; F334-P343 HydrophobicContact CE2-CG 4.25Å; F334-P343 HydrophobicContact CZ-CB 4.11Å
335	R	81.3	Confident	82.4	Confident	155 Å²	155	76.5 Å²	76.5	59%	0.585	37%	0.373	S	S	*	.	H	α-helix	trans	-61	-39.9	172.9	-74.7	179	174.7	-171.9	-3.8	112.9	T331 R339 E1046	T331-R335 HydrophobicContact CG2-CG 4.43Å; T331-R335 VanDerWaalsContact O-CB 3.31Å; T331-R335 WeakPolarHBondContact O-CB 3.35Å; T331-R335 VanDerWaalsContact O-CG 3.27Å; T331-R335 WeakPolarHBondContact O-CG 3.44Å; T331-R335 PolarHBondContact O-N 2.94Å; R335-R339 PolarHBondContact O-NE 3.01Å; R335-R339 PolarHBondContact O-NH2 3.07Å; R335-E1046 IonicContact NH2-OE1 2.77Å; R335-E1046 PolarHBondContact NH2-OE1 3.26Å
336	V	77.9	Confident	82.6	Confident	112 Å²	112	70.1 Å²	70.1	68%	0.679	36%	0.356	S	S	*	.	H	α-helix	trans	-103.2	-38.3	-168.8	-177.8	0	0	0	0	114.9	A332 F334	A332-V336 WeakPolarHBondContact O-CB 3.27Å; A332-V336 WeakPolarHBondContact O-CG2 3.5Å; A332-V336 PolarHBondContact O-N 3.03Å; F334-V336 PolarHBondContact O-N 3.17Å
337	R	76.4	Confident	82.8	Confident	178 Å²	178	69.4 Å²	69.4	67%	0.672	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-46.7	-171	-68	-177.3	174.5	177	-3.2	114.4	H333	H333-R337 WeakPolarHBondContact O-CA 3.43Å; H333-R337 WeakPolarHBondContact O-CB 3.47Å; H333-R337 PolarHBondContact O-N 3.08Å
338	C	79.6	Confident	83	Confident	20 Å²	20	72.8 Å²	72.8	14%	0.135	37%	0.369	C	S	.	.			trans	-127.6	51.5	-161.8	-64.6	0	0	0	0	112.8	H333 F334 N340 A341	H333-C338 PolarHBondContact NE2-SG 3.2Å; H333-C338 PolarHBondContact O-N 3.4Å; F334-C338 HydrophobicContact CD1-CB 4.13Å; F334-C338 WeakPolarHBondContact CD1-O 3.38Å; F334-C338 HydrophobicContact CE1-CB 4.27Å; C338-N340 PolarHBondContact O-N 3.14Å; C338-A341 HydrophobicContact CB-CB 4.27Å; C338-A341 PolarHBondContact O-N 3.09Å; C338-A341 VanDerWaalsContact O-N 3.15Å
339	R	74.4	Confident	83.1	Confident	192 Å²	192	70.9 Å²	70.9	73%	0.725	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.5	-167.7	-69.2	179	177.7	175.8	-1.3	116.3	F334 R335	F334-R339 WeakPolarHBondContact O-CA 3.28Å; F334-R339 WeakPolarHBondContact O-CG 3.47Å; F334-R339 PolarHBondContact O-N 3.33Å; R335-R339 PolarHBondContact O-NE 3.01Å; R335-R339 PolarHBondContact O-NH2 3.07Å
340	N	74.8	Confident	83.3	Confident	168 Å²	168	69.5 Å²	69.5	90%	0.898	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	36.5	-176.4	-57.9	35.1	0	0	0	111.6	C338	C338-N340 PolarHBondContact O-N 3.14Å
341	A	78.8	Confident	83.5	Confident	27 Å²	27	69.2 Å²	69.2	22%	0.223	35%	0.354	C	S	.	.			trans	-139.2	154.3	-179.2	0	0	0	0	0	111	A319 F334 C338	A319-A341 HydrophobicContact CB-CB 3.6Å; F334-A341 WeakPolarHBondContact CD1-O 3.37Å; F334-A341 HydrophobicContact CE1-CB 4.07Å; F334-A341 WeakPolarHBondContact CE1-O 3.38Å; C338-A341 HydrophobicContact CB-CB 4.27Å; C338-A341 PolarHBondContact O-N 3.09Å; C338-A341 VanDerWaalsContact O-N 3.15Å
342	G	82.6	Confident	83.7	Confident	23 Å²	23	69 Å²	69	24%	0.237	35%	0.352	C	S	.	.			trans	-105.1	160.3	178.3	0	0	0	0	0	114.4	V318 F334	V318-G342 WeakPolarHBondContact CG2-O 3.32Å; V318-G342 PolarHBondContact N-O 3.01Å; V318-G342 VanDerWaalsContact N-O 3.1Å; F334-G342 VanDerWaalsContact CZ-C 3.49Å
343	P	88.9	Confident	83.8	Confident	20 Å²	20	71.5 Å²	71.5	13%	0.13	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.5	166.1	31.8	-32.5	0	0	0	111.5	I173 M174 V315 K316 L330 F334	I173-P343 HydrophobicContact CB-CG 4.44Å; I173-P343 HydrophobicContact CD1-CB 4.41Å; I173-P343 HydrophobicContact CD1-CG 4.32Å; I173-P343 HydrophobicContact CG1-CB 4.42Å; I173-P343 HydrophobicContact CG1-CG 3.92Å; I173-P343 HydrophobicContact CG2-CB 4.27Å; I173-P343 HydrophobicContact CG2-CG 4.42Å; M174-P343 VanDerWaalsContact CE-O 3.26Å; M174-P343 WeakPolarHBondContact CE-O 3.49Å; M174-P343 PolarHBondContact N-O 3.13Å; V315-P343 HydrophobicContact CG1-CB 3.92Å; K316-P343 WeakPolarHBondContact O-CA 3.34Å; L330-P343 HydrophobicContact CD1-CB 3.8Å; L330-P343 HydrophobicContact CD1-CG 4.07Å; L330-P343 HydrophobicContact CG-CB 4.34Å; F334-P343 HydrophobicContact CE2-CB 3.89Å; F334-P343 HydrophobicContact CE2-CG 4.25Å; F334-P343 HydrophobicContact CZ-CB 4.11Å
344	V	90	Very high	84	Confident	20 Å²	20	71.6 Å²	71.6	12%	0.121	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.3	173.6	62.4	0	0	0	0	111.1	M174 H175 V315 K316 V318 V346	M174-V344 HydrophobicContact CB-CB 4.1Å; M174-V344 HydrophobicContact CB-CG2 4Å; M174-V344 HydrophobicContact CE-CB 4.29Å; H175-V344 VanDerWaalsContact ND1-CG2 3.31Å; H175-V344 WeakPolarHBondContact ND1-CG2 3.48Å; V315-V344 CarbonylContact C-O 3.49Å; V315-V344 WeakPolarHBondContact CA-O 3.37Å; K316-V344 HydrophobicContact CB-CG1 4.42Å; K316-V344 PolarHBondContact N-O 3.43Å; K316-V344 WeakPolarHBondContact O-CG1 3.2Å; K316-V344 PolarHBondContact O-N 3.03Å; V318-V344 HydrophobicContact CG2-CB 3.87Å; V318-V344 HydrophobicContact CG2-CG1 3.64Å; V344-V346 HydrophobicContact CG1-CG2 4.36Å; V344-V346 HydrophobicContact CG2-CG2 4.33Å
345	A	90.1	Very high	84.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.1	170	0	0	0	0	0	110.7	I173 M174 H175 H195 P197	I173-A345 HydrophobicContact CG2-CB 4.21Å; M174-A345 PolarHBondContact O-N 2.98Å; H175-A345 PolarHBondContact ND1-O 3.01Å; H175-A345 VanDerWaalsContact ND1-O 3.12Å; H195-A345 HydrophobicContact CB-CB 4.38Å; H195-A345 VanDerWaalsContact O-CB 3.23Å; H195-A345 WeakPolarHBondContact O-CB 3.22Å; P197-A345 HydrophobicContact CB-CB 4.43Å; P197-A345 HydrophobicContact CG-CB 4.26Å
346	V	87.4	Confident	84.4	Confident	67 Å²	67	68.3 Å²	68.3	41%	0.406	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	118.7	179.5	-174.8	0	0	0	0	109	F313 Q314 V344	F313-V346 CarbonylContact C-O 3.52Å; F313-V346 VanDerWaalsContact CA-O 3.28Å; F313-V346 WeakPolarHBondContact CA-O 3.36Å; Q314-V346 PolarHBondContact N-O 3.33Å; Q314-V346 PolarHBondContact O-N 3.44Å; V344-V346 HydrophobicContact CG1-CG2 4.36Å; V344-V346 HydrophobicContact CG2-CG2 4.33Å
347	A	88.9	Confident	84.8	Confident	24 Å²	24	68 Å²	68	20%	0.198	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	155.5	170.6	0	0	0	0	0	111.3	P197 C198 V311 P312 F313 K349	P197-A347 HydrophobicContact CG-CB 3.66Å; C198-A347 HydrophobicContact CB-CB 4.13Å; V311-A347 HydrophobicContact CG1-CB 3.95Å; P312-A347 WeakPolarHBondContact O-CA 3.46Å; F313-A347 HydrophobicContact CB-CB 4.19Å; A347-K349 VanDerWaalsContact CB-O 3.31Å; A347-K349 WeakPolarHBondContact CB-O 3.34Å; A347-K349 PolarHBondContact O-N 3.04Å
348	E	87.4	Confident	85.3	Confident	132 Å²	132	59.6 Å²	59.6	62%	0.617	31%	0.306	S	S	*	.	S	Bend	trans	-67.3	-24.6	173.4	-68.7	-176.8	178.7	0	0	113.1	V311 P312	V311-E348 HydrophobicContact CG1-CB 4.47Å; P312-E348 HydrophobicContact CB-CG 4.17Å; P312-E348 PolarHBondContact O-N 3.42Å
349	K	86.5	Confident	85.7	Confident	117 Å²	117	59.2 Å²	59.2	51%	0.509	30%	0.302	S	S	.	.	S	Bend	trans	-136.6	146.4	177.1	-62.1	180	-176.1	175	0	110.3	V311 A347 Q353 V354	V311-K349 HydrophobicContact CG1-CB 3.93Å; V311-K349 HydrophobicContact CG2-CB 4.32Å; A347-K349 VanDerWaalsContact CB-O 3.31Å; A347-K349 WeakPolarHBondContact CB-O 3.34Å; A347-K349 PolarHBondContact O-N 3.04Å; K349-Q353 HydrophobicContact CB-CB 4.49Å; K349-V354 HydrophobicContact CB-CG2 4.27Å
350	S	87.6	Confident	86.2	Confident	49 Å²	49	50.3 Å²	50.3	34%	0.343	27%	0.269	S	S	.	.			trans	-85.1	157.9	167.7	58.3	0	0	0	0	111.3	T352 Q353 V354	S350-T352 PolarHBondContact O-N 2.89Å; S350-T352 VanDerWaalsContact O-N 3.17Å; S350-T352 PolarHBondContact OG-OG1 3.08Å; S350-Q353 PolarHBondContact O-N 3.02Å; S350-Q353 WeakPolarHBondContact OG-CG 3.43Å; S350-Q353 PolarHBondContact OG-N 2.95Å; S350-Q353 PolarHBondContact OG-OE1 3.36Å; S350-V354 PolarHBondContact O-N 2.86Å; S350-V354 VanDerWaalsContact O-N 3.08Å
351	I	87.8	Confident	86.6	Confident	15 Å²	15	45.2 Å²	45.2	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-55.8	-33.8	176	-54	169.6	0	0	0	110.9	C198 P200 F259 L260 L304 V354 A355	C198-I351 HydrophobicContact CB-CG1 4.5Å; P200-I351 HydrophobicContact CB-CG2 3.97Å; F259-I351 HydrophobicContact CB-CG2 3.86Å; L260-I351 HydrophobicContact CD2-CD1 3.66Å; L304-I351 HydrophobicContact CD1-CG2 4.43Å; I351-V354 PolarHBondContact O-N 2.98Å; I351-A355 WeakPolarHBondContact O-CB 3.5Å; I351-A355 PolarHBondContact O-N 3.5Å
352	T	86.6	Confident	86.7	Confident	37 Å²	37	44 Å²	44	23%	0.227	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-43.6	176.6	63	0	0	0	0	111.9	N257 F259 F282 S350 V354 A355 E356	N257-T352 WeakPolarHBondContact O-CG2 3.27Å; F259-T352 HydrophobicContact CD2-CG2 4.17Å; F282-T352 WeakPolarHBondContact CZ-O 3.33Å; S350-T352 PolarHBondContact O-N 2.89Å; S350-T352 VanDerWaalsContact O-N 3.17Å; S350-T352 PolarHBondContact OG-OG1 3.08Å; T352-V354 VanDerWaalsContact C-N 3.32Å; T352-V354 PolarHBondContact O-N 3.39Å; T352-A355 PolarHBondContact O-N 2.69Å; T352-A355 VanDerWaalsContact O-N 3.17Å; T352-E356 PolarHBondContact O-N 3.07Å; T352-E356 VanDerWaalsContact O-N 3.08Å
353	Q	86.3	Confident	86.8	Confident	107 Å²	107	44 Å²	44	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-67.8	-30.2	175.8	-70	164.4	-51.1	0	0	112.6	K349 S350 E356	K349-Q353 HydrophobicContact CB-CB 4.49Å; S350-Q353 PolarHBondContact O-N 3.02Å; S350-Q353 WeakPolarHBondContact OG-CG 3.43Å; S350-Q353 PolarHBondContact OG-N 2.95Å; S350-Q353 PolarHBondContact OG-OE1 3.36Å; Q353-E356 WeakPolarHBondContact O-CB 3.34Å
354	V	87.4	Confident	86.4	Confident	13 Å²	13	43 Å²	43	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-71.5	-37.9	170.9	-176.1	0	0	0	0	110.8	L304 L307 V311 K349 S350 I351 T352 E356 K357	L304-V354 HydrophobicContact CD1-CB 4.26Å; L304-V354 HydrophobicContact CD1-CG1 3.89Å; L307-V354 HydrophobicContact CB-CG1 3.43Å; L307-V354 VanDerWaalsContact CB-CG1 3.43Å; L307-V354 HydrophobicContact CD1-CG1 4.37Å; V311-V354 HydrophobicContact CG2-CG2 3.89Å; K349-V354 HydrophobicContact CB-CG2 4.27Å; S350-V354 PolarHBondContact O-N 2.86Å; S350-V354 VanDerWaalsContact O-N 3.08Å; I351-V354 PolarHBondContact O-N 2.98Å; T352-V354 VanDerWaalsContact C-N 3.32Å; T352-V354 PolarHBondContact O-N 3.39Å; V354-E356 VanDerWaalsContact C-N 3.26Å; V354-E356 PolarHBondContact O-N 3.04Å; V354-K357 PolarHBondContact O-N 3.16Å
355	A	87.2	Confident	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-17.2	178.1	0	0	0	0	0	114.3	F259 L304 I351 T352 K357 F358	F259-A355 HydrophobicContact CB-CB 4.05Å; F259-A355 HydrophobicContact CD1-CB 3.45Å; F259-A355 VanDerWaalsContact CD1-CB 3.45Å; F259-A355 HydrophobicContact CD2-CB 4.09Å; F259-A355 HydrophobicContact CE1-CB 3.84Å; F259-A355 HydrophobicContact CE2-CB 4.43Å; F259-A355 HydrophobicContact CG-CB 3.58Å; F259-A355 HydrophobicContact CZ-CB 4.31Å; L304-A355 HydrophobicContact CD1-CB 4.33Å; I351-A355 WeakPolarHBondContact O-CB 3.5Å; I351-A355 PolarHBondContact O-N 3.5Å; T352-A355 PolarHBondContact O-N 2.69Å; T352-A355 VanDerWaalsContact O-N 3.17Å; A355-K357 PolarHBondContact O-N 3.13Å; A355-K357 VanDerWaalsContact O-N 3.12Å; A355-F358 WeakPolarHBondContact O-CD2 3.28Å; A355-F358 PolarHBondContact O-N 3.47Å
356	E	86.8	Confident	84.9	Confident	114 Å²	114	48.5 Å²	48.5	53%	0.533	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-54.7	-28.7	173.7	-171.1	163.1	-139	0	0	112.6	F282 T352 Q353 V354 F358 I359	F282-E356 HydrophobicContact CE1-CB 3.87Å; F282-E356 HydrophobicContact CE1-CG 3.8Å; F282-E356 HydrophobicContact CZ-CB 3.71Å; F282-E356 HydrophobicContact CZ-CG 4.18Å; T352-E356 PolarHBondContact O-N 3.07Å; T352-E356 VanDerWaalsContact O-N 3.08Å; Q353-E356 WeakPolarHBondContact O-CB 3.34Å; V354-E356 VanDerWaalsContact C-N 3.26Å; V354-E356 PolarHBondContact O-N 3.04Å; E356-F358 PolarHBondContact O-N 2.98Å; E356-F358 VanDerWaalsContact O-N 3.13Å; E356-I359 VanDerWaalsContact O-CB 3.3Å; E356-I359 WeakPolarHBondContact O-CB 3.32Å; E356-I359 WeakPolarHBondContact O-CG1 3.15Å; E356-I359 PolarHBondContact O-N 3.25Å
357	K	86.4	Confident	84.4	Confident	106 Å²	106	47.6 Å²	47.6	46%	0.461	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-59.3	-24.3	176.5	-168	177.2	-177.6	178.4	0	114	L307 V354 A355 I359 Y401	L307-K357 HydrophobicContact CD1-CD 3.66Å; V354-K357 PolarHBondContact O-N 3.16Å; A355-K357 PolarHBondContact O-N 3.13Å; A355-K357 VanDerWaalsContact O-N 3.12Å; K357-I359 VanDerWaalsContact C-N 3.33Å; K357-Y401 WeakPolarHBondContact CE-OH 3.33Å; K357-Y401 WeakPolarHBondContact O-CD2 3.27Å; K357-Y401 WeakPolarHBondContact O-CE2 3.47Å
358	F	86.5	Confident	83.7	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-89.7	4	177.7	-56.9	-83.8	0	0	0	113.3	F296 A300 L303 L304 A355 E356 S397 V398 Y401	F296-F358 HydrophobicContact CZ-CD2 4.49Å; F296-F358 HydrophobicContact CZ-CE2 4.34Å; A300-F358 HydrophobicContact CB-CD1 4.15Å; A300-F358 HydrophobicContact CB-CE1 3.7Å; A300-F358 HydrophobicContact CB-CZ 4.21Å; L303-F358 HydrophobicContact CB-CE1 4.38Å; L303-F358 HydrophobicContact CB-CZ 4.07Å; L303-F358 HydrophobicContact CD2-CE1 3.9Å; L303-F358 HydrophobicContact CD2-CZ 4.05Å; L303-F358 HydrophobicContact CG-CE1 4.36Å; L303-F358 HydrophobicContact CG-CZ 4.03Å; L304-F358 HydrophobicContact CB-CE2 3.98Å; L304-F358 HydrophobicContact CB-CZ 4.14Å; L304-F358 HydrophobicContact CD1-CE2 4.22Å; A355-F358 WeakPolarHBondContact O-CD2 3.28Å; A355-F358 PolarHBondContact O-N 3.47Å; E356-F358 PolarHBondContact O-N 2.98Å; E356-F358 VanDerWaalsContact O-N 3.13Å; F358-S397 PolarHBondContact O-OG 3.04Å; F358-V398 HydrophobicContact CB-CG2 3.86Å; F358-Y401 AromaticContact CD1-CD1 3.56Å; F358-Y401 HydrophobicContact CD1-CD1 3.56Å; F358-Y401 AromaticContact CD1-CE1 3.9Å; F358-Y401 HydrophobicContact CD1-CE1 3.9Å; F358-Y401 HydrophobicContact CD1-CG 4.04Å; F358-Y401 HydrophobicContact CE1-CD1 4.01Å; F358-Y401 HydrophobicContact CE1-CE1 4Å
359	I	87.1	Confident	83.3	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.062	24%	0.236	C	C	.	.			trans	-94	121	-175.2	-53.2	-59.8	0	0	0	110.6	F282 L284 E356 K357 V394 S397	F282-I359 HydrophobicContact CB-CD1 4.14Å; F282-I359 HydrophobicContact CB-CG1 4.46Å; F282-I359 HydrophobicContact CD1-CD1 4.48Å; F282-I359 HydrophobicContact CD1-CG1 3.98Å; F282-I359 HydrophobicContact CD2-CD1 3.56Å; F282-I359 HydrophobicContact CD2-CG1 3.81Å; F282-I359 HydrophobicContact CE1-CG1 4.13Å; F282-I359 HydrophobicContact CE2-CD1 4.05Å; F282-I359 HydrophobicContact CE2-CG1 3.95Å; F282-I359 HydrophobicContact CG-CD1 3.81Å; F282-I359 HydrophobicContact CG-CG1 3.82Å; F282-I359 HydrophobicContact CZ-CG1 4.11Å; L284-I359 HydrophobicContact CD1-CG2 4.44Å; L284-I359 HydrophobicContact CD2-CG2 4.11Å; E356-I359 VanDerWaalsContact O-CB 3.3Å; E356-I359 WeakPolarHBondContact O-CB 3.32Å; E356-I359 WeakPolarHBondContact O-CG1 3.15Å; E356-I359 PolarHBondContact O-N 3.25Å; K357-I359 VanDerWaalsContact C-N 3.33Å; I359-V394 HydrophobicContact CD1-CB 4.49Å; I359-V394 HydrophobicContact CD1-CG1 3.76Å; I359-V394 HydrophobicContact CD1-CG2 4.12Å; I359-S397 WeakPolarHBondContact CA-OG 3.32Å
360	L	85	Confident	83.2	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.225	C	C	.	.			trans	-126.4	139.9	-177.4	-60.6	175.5	0	0	0	108.3	L284 V370 F371 V372 I391 S397 L400 Y401	L284-L360 WeakPolarHBondContact CD2-O 3.4Å; L360-V370 HydrophobicContact CD1-CB 3.82Å; L360-V370 HydrophobicContact CD1-CG1 3.73Å; L360-V370 HydrophobicContact CD1-CG2 4.45Å; L360-V370 HydrophobicContact CD2-CB 4.04Å; L360-V370 HydrophobicContact CD2-CG2 4.31Å; L360-F371 CarbonylContact C-O 3.52Å; L360-F371 WeakPolarHBondContact CA-O 3.36Å; L360-V372 HydrophobicContact CD2-CG2 4.16Å; L360-I391 HydrophobicContact CB-CD1 3.53Å; L360-I391 HydrophobicContact CD1-CD1 4.49Å; L360-S397 PolarHBondContact N-OG 3.47Å; L360-L400 HydrophobicContact CD1-CB 4.27Å; L360-Y401 HydrophobicContact CD1-CD2 4.45Å; L360-Y401 HydrophobicContact CD2-CD2 4.43Å
361	R	82.9	Confident	83	Confident	62 Å²	62	42.5 Å²	42.5	23%	0.234	21%	0.213	C	C	.	.	S	Bend	trans	-94.2	-29.6	178.4	-71.6	-75.7	167.1	173.3	-19.4	112.7	K283 F371 V372 E374 I391	K283-R361 PolarHBondContact O-NH1 3.31Å; K283-R361 PolarHBondContact O-NH2 2.95Å; R361-F371 PolarHBondContact N-O 2.92Å; R361-V372 WeakPolarHBondContact CG-O 3.42Å; R361-E374 HydrophobicContact CB-CG 4.22Å; R361-E374 WeakPolarHBondContact CD-OE1 3.42Å; R361-E374 HydrophobicContact CG-CG 4.17Å; R361-E374 IonicContact CZ-OE1 2.67Å; R361-E374 IonicContact NE-OE1 3.72Å; R361-E374 IonicContact NH1-OE1 2.99Å; R361-E374 PolarHBondContact NH1-OE1 2.95Å; R361-I391 PolarHBondContact O-N 3.35Å
362	G	82.4	Confident	82.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	162.9	177.5	0	0	0	0	0	114.1	F371 R389	G362-F371 PolarHBondContact N-O 3.38Å; G362-F371 PolarHBondContact O-N 3.02Å; G362-R389 CarbonylContact C-O 3.43Å; G362-R389 VanDerWaalsContact CA-O 3.24Å; G362-R389 WeakPolarHBondContact CA-O 3.46Å
363	Y	82.9	Confident	82.4	Confident	23 Å²	23	48 Å²	48	9%	0.09	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.3	178.8	167.4	-113.7	0	0	0	109.7	P365 N368 Q369 V370 R389 L400	Y363-P365 HydrophobicContact CD1-CG 4.14Å; Y363-P365 HydrophobicContact CE1-CB 4.15Å; Y363-P365 HydrophobicContact CE1-CG 3.85Å; Y363-P365 WeakPolarHBondContact O-CD 3.4Å; Y363-N368 WeakPolarHBondContact CE2-OD1 3.47Å; Y363-N368 PolarHBondContact OH-OD1 3.34Å; Y363-Q369 CarbonylContact C-O 3.47Å; Y363-Q369 WeakPolarHBondContact CA-O 3.34Å; Y363-Q369 WeakPolarHBondContact CD2-O 3.47Å; Y363-V370 HydrophobicContact CD2-CG1 3.75Å; Y363-V370 HydrophobicContact CE2-CG1 4.49Å; Y363-R389 PolarHBondContact N-O 2.89Å; Y363-R389 PolarHBondContact O-N 3.28Å; Y363-L400 HydrophobicContact CD1-CD1 4.42Å; Y363-L400 HydrophobicContact CD1-CD2 3.73Å; Y363-L400 HydrophobicContact CD2-CD2 4.36Å; Y363-L400 HydrophobicContact CE1-CD2 3.97Å; Y363-L400 HydrophobicContact CG-CD1 4.28Å; Y363-L400 HydrophobicContact CG-CD2 3.94Å
364	C	82.1	Confident	82.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.2	177.7	-174.1	0	0	0	0	110.3	D366 C367 N368 Q369 F371 H386 V388	C364-D366 PolarHBondContact O-N 2.96Å; C364-C367 PolarHBondContact O-N 3.48Å; C364-N368 WeakPolarHBondContact O-CA 3.34Å; C364-N368 PolarHBondContact O-N 3.14Å; C364-Q369 PolarHBondContact N-O 3.12Å; C364-Q369 PolarHBondContact O-N 3.07Å; C364-F371 HydrophobicContact CB-CE2 3.92Å; C364-H386 WeakPolarHBondContact SG-CB 3.22Å; C364-V388 HydrophobicContact CB-CG2 4.21Å
365	P	73.4	Confident	81.8	Confident	42 Å²	42	52.5 Å²	52.5	27%	0.273	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-56.8	-39.6	178.8	-22.2	32.4	0	0	0	112.3	Y363 C367 N368 R389	Y363-P365 HydrophobicContact CD1-CG 4.14Å; Y363-P365 HydrophobicContact CE1-CB 4.15Å; Y363-P365 HydrophobicContact CE1-CG 3.85Å; Y363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-C367 PolarHBondContact O-N 3.26Å; P365-N368 PolarHBondContact O-N 2.94Å; P365-R389 HydrophobicContact CG-CG 4.07Å
366	D	73.4	Confident	81.5	Confident	94 Å²	94	54 Å²	54	50%	0.503	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-63.4	-14.1	-173.4	-45.6	-29.2	0	0	0	114	C364 H386 K387	C364-D366 PolarHBondContact O-N 2.96Å; D366-H386 HydrophobicContact CB-CB 4.07Å; D366-H386 WeakPolarHBondContact OD2-CA 3.47Å; D366-H386 WeakPolarHBondContact OD2-CB 3.47Å; D366-H386 IonicContact OD2-CG 2.69Å; D366-K387 PolarHBondContact OD2-N 3.2Å
367	C	77.5	Confident	81.2	Confident	47 Å²	47	49.4 Å²	49.4	32%	0.318	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-144.5	13.4	176.3	63.4	0	0	0	0	114.3	C364 P365 Q369 H380	C364-C367 PolarHBondContact O-N 3.48Å; P365-C367 PolarHBondContact O-N 3.26Å; C367-Q369 PolarHBondContact O-N 3.04Å; C367-Q369 VanDerWaalsContact O-N 3.08Å; C367-H380 VanDerWaalsContact SG-CE1 3.52Å
368	N	74.6	Confident	80.8	Confident	51 Å²	51	49.7 Å²	49.7	27%	0.273	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	25.8	-177.1	-158.6	16.9	0	0	0	115.6	Y363 C364 P365	Y363-N368 WeakPolarHBondContact CE2-OD1 3.47Å; Y363-N368 PolarHBondContact OH-OD1 3.34Å; C364-N368 WeakPolarHBondContact O-CA 3.34Å; C364-N368 PolarHBondContact O-N 3.14Å; P365-N368 PolarHBondContact O-N 2.94Å
369	Q	79	Confident	80.6	Confident	95 Å²	95	53.6 Å²	53.6	44%	0.444	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.9	-179.7	-72.4	-175.4	-9.4	0	0	112.1	Y363 C364 C367 F371 H380	Y363-Q369 CarbonylContact C-O 3.47Å; Y363-Q369 WeakPolarHBondContact CA-O 3.34Å; Y363-Q369 WeakPolarHBondContact CD2-O 3.47Å; C364-Q369 PolarHBondContact N-O 3.12Å; C364-Q369 PolarHBondContact O-N 3.07Å; C367-Q369 PolarHBondContact O-N 3.04Å; C367-Q369 VanDerWaalsContact O-N 3.08Å; Q369-F371 HydrophobicContact CB-CE1 4.5Å; Q369-F371 HydrophobicContact CB-CE2 3.85Å; Q369-F371 HydrophobicContact CB-CZ 3.65Å; Q369-F371 WeakPolarHBondContact O-CE2 3.49Å; Q369-H380 PolarHBondContact OE1-CE1 2.85Å; Q369-H380 PolarHBondContact OE1-ND1 3.33Å
370	V	84.7	Confident	80.4	Confident	48 Å²	48	54.4 Å²	54.4	29%	0.291	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.5	174	-70.5	0	0	0	0	111	L360 Y363	L360-V370 HydrophobicContact CD1-CB 3.82Å; L360-V370 HydrophobicContact CD1-CG1 3.73Å; L360-V370 HydrophobicContact CD1-CG2 4.45Å; L360-V370 HydrophobicContact CD2-CB 4.04Å; L360-V370 HydrophobicContact CD2-CG2 4.31Å; Y363-V370 HydrophobicContact CD2-CG1 3.75Å; Y363-V370 HydrophobicContact CE2-CG1 4.49Å
371	F	83.4	Confident	80.3	Confident	21 Å²	21	60.2 Å²	60.2	9%	0.092	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.7	-172.4	-59.9	-79.6	0	0	0	110.7	L360 R361 G362 C364 Q369 S376 T377 H380 V388	L360-F371 CarbonylContact C-O 3.52Å; L360-F371 WeakPolarHBondContact CA-O 3.36Å; R361-F371 PolarHBondContact N-O 2.92Å; G362-F371 PolarHBondContact N-O 3.38Å; G362-F371 PolarHBondContact O-N 3.02Å; C364-F371 HydrophobicContact CB-CE2 3.92Å; Q369-F371 HydrophobicContact CB-CE1 4.5Å; Q369-F371 HydrophobicContact CB-CE2 3.85Å; Q369-F371 HydrophobicContact CB-CZ 3.65Å; Q369-F371 WeakPolarHBondContact O-CE2 3.49Å; F371-S376 WeakPolarHBondContact CD1-OG 3.28Å; F371-T377 HydrophobicContact CB-CG2 3.43Å; F371-T377 VanDerWaalsContact CB-CG2 3.43Å; F371-T377 HydrophobicContact CD2-CG2 4.15Å; F371-T377 HydrophobicContact CG-CG2 3.91Å; F371-H380 HydrophobicContact CE1-CB 3.87Å; F371-H380 HydrophobicContact CE2-CB 4.38Å; F371-H380 HydrophobicContact CZ-CB 3.66Å; F371-H380 AromaticContact CZ-CG 3.47Å; F371-H380 VanDerWaalsContact CZ-CG 3.47Å; F371-H380 AromaticContact CZ-ND1 3.52Å; F371-V388 HydrophobicContact CD2-CG1 4.39Å
372	V	80.6	Confident	80.2	Confident	104 Å²	104	63.6 Å²	63.6	63%	0.63	33%	0.333	S	S	*	.	S	Bend	trans	-88.9	-25.3	-176.3	-176	0	0	0	0	111.8	L360 R361	L360-V372 HydrophobicContact CD2-CG2 4.16Å; R361-V372 WeakPolarHBondContact CG-O 3.42Å
373	D	81.6	Confident	80.1	Confident	65 Å²	65	70.2 Å²	70.2	35%	0.348	37%	0.368	S	S	.	.	S	Bend	trans	-127	149	-172.1	65.6	-63.8	0	0	0	112.3	T375 S376 T377	D373-T375 VanDerWaalsContact C-N 3.29Å; D373-T375 PolarHBondContact O-N 3.36Å; D373-T375 WeakPolarHBondContact OD2-CB 3.44Å; D373-T375 PolarHBondContact OD2-OG1 3.5Å; D373-S376 PolarHBondContact O-N 2.9Å; D373-S376 PolarHBondContact O-OG 3.12Å; D373-S376 VanDerWaalsContact O-OG 3.12Å; D373-S376 WeakPolarHBondContact OD1-CB 3.49Å; D373-S376 PolarHBondContact OD1-OG 3.22Å; D373-S376 WeakPolarHBondContact OD2-CB 3.46Å; D373-S376 PolarHBondContact OD2-N 2.78Å; D373-S376 PolarHBondContact OD2-OG 3.21Å; D373-T377 PolarHBondContact O-N 3.16Å
374	E	78.9	Confident	79.8	Confident	120 Å²	120	71.2 Å²	71.2	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-67.4	-31.8	-177.9	-69.1	169.9	-160.4	0	0	111.6	R361 T377 H378	R361-E374 HydrophobicContact CB-CG 4.22Å; R361-E374 WeakPolarHBondContact CD-OE1 3.42Å; R361-E374 HydrophobicContact CG-CG 4.17Å; R361-E374 IonicContact CZ-OE1 2.67Å; R361-E374 IonicContact NE-OE1 3.72Å; R361-E374 IonicContact NH1-OE1 2.99Å; R361-E374 PolarHBondContact NH1-OE1 2.95Å; E374-T377 PolarHBondContact O-N 3.3Å; E374-T377 PolarHBondContact O-OG1 3.28Å; E374-H378 PolarHBondContact O-N 3.19Å
375	T	80.7	Confident	79.5	Confident	94 Å²	94	74.4 Å²	74.4	58%	0.577	41%	0.411	S	S	*	.	H	α-helix	trans	-59.9	-46.2	175	25.5	0	0	0	0	113.3	D373 H378 N379	D373-T375 VanDerWaalsContact C-N 3.29Å; D373-T375 PolarHBondContact O-N 3.36Å; D373-T375 WeakPolarHBondContact OD2-CB 3.44Å; D373-T375 PolarHBondContact OD2-OG1 3.5Å; T375-H378 PolarHBondContact O-N 3.28Å; T375-N379 WeakPolarHBondContact O-CB 3.39Å; T375-N379 PolarHBondContact O-N 3.02Å; T375-N379 PolarHBondContact O-ND2 3.1Å
376	S	81.4	Confident	79.9	Confident	30 Å²	30	75.5 Å²	75.5	21%	0.21	41%	0.412	C	S	.	.	H	α-helix	trans	-69.3	-35.3	177	67.6	0	0	0	0	112.2	F371 D373 H378 N379 H380	F371-S376 WeakPolarHBondContact CD1-OG 3.28Å; D373-S376 PolarHBondContact O-N 2.9Å; D373-S376 PolarHBondContact O-OG 3.12Å; D373-S376 VanDerWaalsContact O-OG 3.12Å; D373-S376 WeakPolarHBondContact OD1-CB 3.49Å; D373-S376 PolarHBondContact OD1-OG 3.22Å; D373-S376 WeakPolarHBondContact OD2-CB 3.46Å; D373-S376 PolarHBondContact OD2-N 2.78Å; D373-S376 PolarHBondContact OD2-OG 3.21Å; S376-H378 VanDerWaalsContact C-N 3.35Å; S376-H378 PolarHBondContact O-N 2.94Å; S376-N379 PolarHBondContact O-N 2.99Å; S376-H380 WeakPolarHBondContact O-CB 3.04Å; S376-H380 PolarHBondContact O-N 3.02Å
377	T	80.4	Confident	80.1	Confident	18 Å²	18	79.1 Å²	79.1	11%	0.11	42%	0.424	C	S	.	.	H	α-helix	trans	-60.9	-42.2	171.7	67	0	0	0	0	112.6	F371 D373 E374 K381 V388	F371-T377 HydrophobicContact CB-CG2 3.43Å; F371-T377 VanDerWaalsContact CB-CG2 3.43Å; F371-T377 HydrophobicContact CD2-CG2 4.15Å; F371-T377 HydrophobicContact CG-CG2 3.91Å; D373-T377 PolarHBondContact O-N 3.16Å; E374-T377 PolarHBondContact O-N 3.3Å; E374-T377 PolarHBondContact O-OG1 3.28Å; T377-K381 VanDerWaalsContact O-CB 3.31Å; T377-K381 WeakPolarHBondContact O-CB 3.29Å; T377-K381 PolarHBondContact O-N 2.91Å; T377-V388 HydrophobicContact CG2-CG1 4.19Å
378	H	79.4	Confident	80.3	Confident	113 Å²	113	77.9 Å²	77.9	52%	0.523	42%	0.415	S	S	.	.	H	α-helix	trans	-67.5	-47.8	178	-171.6	-80.7	0	0	0	110.9	E374 T375 S376 H380 K381 Q382	E374-H378 PolarHBondContact O-N 3.19Å; T375-H378 PolarHBondContact O-N 3.28Å; S376-H378 VanDerWaalsContact C-N 3.35Å; S376-H378 PolarHBondContact O-N 2.94Å; H378-H380 VanDerWaalsContact C-N 3.35Å; H378-H380 PolarHBondContact O-N 3.4Å; H378-K381 PolarHBondContact O-N 3.39Å; H378-Q382 PolarHBondContact CE1-OE1 3.3Å; H378-Q382 PolarHBondContact ND1-OE1 2.95Å; H378-Q382 VanDerWaalsContact O-CB 3.29Å; H378-Q382 WeakPolarHBondContact O-CB 3.19Å; H378-Q382 PolarHBondContact O-N 3.4Å
379	N	81.3	Confident	80.5	Confident	83 Å²	83	80.8 Å²	80.8	44%	0.444	42%	0.422	S	S	.	.	H	α-helix	trans	-61.5	-41.4	178.8	-69.4	-16.2	0	0	0	111.8	T375 S376 Q382 N383	T375-N379 WeakPolarHBondContact O-CB 3.39Å; T375-N379 PolarHBondContact O-N 3.02Å; T375-N379 PolarHBondContact O-ND2 3.1Å; S376-N379 PolarHBondContact O-N 2.99Å; N379-Q382 PolarHBondContact O-N 2.91Å; N379-N383 VanDerWaalsContact O-CB 3.23Å; N379-N383 WeakPolarHBondContact O-CB 3.43Å; N379-N383 PolarHBondContact O-N 2.9Å; N379-N383 PolarHBondContact O-ND2 2.75Å
380	H	83.3	Confident	80.6	Confident	28 Å²	28	80.7 Å²	80.7	13%	0.13	43%	0.428	C	S	.	.	H	α-helix	trans	-61.2	-54.2	174.3	-176	90.3	0	0	0	110.7	C367 Q369 F371 S376 H378 Q382 N383 S384 H386	C367-H380 VanDerWaalsContact SG-CE1 3.52Å; Q369-H380 PolarHBondContact OE1-CE1 2.85Å; Q369-H380 PolarHBondContact OE1-ND1 3.33Å; F371-H380 HydrophobicContact CE1-CB 3.87Å; F371-H380 HydrophobicContact CE2-CB 4.38Å; F371-H380 HydrophobicContact CZ-CB 3.66Å; F371-H380 AromaticContact CZ-CG 3.47Å; F371-H380 VanDerWaalsContact CZ-CG 3.47Å; F371-H380 AromaticContact CZ-ND1 3.52Å; S376-H380 WeakPolarHBondContact O-CB 3.04Å; S376-H380 PolarHBondContact O-N 3.02Å; H378-H380 VanDerWaalsContact C-N 3.35Å; H378-H380 PolarHBondContact O-N 3.4Å; H380-Q382 PolarHBondContact O-N 3.44Å; H380-N383 PolarHBondContact O-N 3.26Å; H380-N383 VanDerWaalsContact O-N 3.11Å; H380-S384 PolarHBondContact CD2-OG 2.83Å; H380-S384 PolarHBondContact NE2-OG 3.08Å; H380-S384 PolarHBondContact O-N 2.98Å; H380-S384 PolarHBondContact O-OG 3.04Å; H380-H386 AromaticContact NE2-CG 3.84Å; H380-H386 AromaticContact NE2-ND1 3.52Å
381	K	82.7	Confident	80.5	Confident	127 Å²	127	78.5 Å²	78.5	55%	0.552	41%	0.414	S	S	*	.	H	α-helix	trans	-55.2	-38.3	178.9	-175.2	-177.2	-178	-174.2	0	112.7	T377 H378 G385 V388	T377-K381 VanDerWaalsContact O-CB 3.31Å; T377-K381 WeakPolarHBondContact O-CB 3.29Å; T377-K381 PolarHBondContact O-N 2.91Å; H378-K381 PolarHBondContact O-N 3.39Å; K381-G385 WeakPolarHBondContact O-CA 3.46Å; K381-G385 PolarHBondContact O-N 3.33Å; K381-V388 HydrophobicContact CB-CG2 4.04Å
382	Q	80.9	Confident	80.1	Confident	133 Å²	133	81.2 Å²	81.2	62%	0.621	43%	0.43	S	S	*	.	H	α-helix	trans	-75.2	-33.9	179.3	-173.7	170.5	-1.4	0	0	113.1	H378 N379 H380	H378-Q382 PolarHBondContact CE1-OE1 3.3Å; H378-Q382 PolarHBondContact ND1-OE1 2.95Å; H378-Q382 VanDerWaalsContact O-CB 3.29Å; H378-Q382 WeakPolarHBondContact O-CB 3.19Å; H378-Q382 PolarHBondContact O-N 3.4Å; N379-Q382 PolarHBondContact O-N 2.91Å; H380-Q382 PolarHBondContact O-N 3.44Å
383	N	80.4	Confident	80.2	Confident	138 Å²	138	77.7 Å²	77.7	74%	0.738	41%	0.41	S	S	*	.	H	α-helix	trans	-90.2	-32.8	-176	-67.9	-15.8	0	0	0	113.8	N379 H380	N379-N383 VanDerWaalsContact O-CB 3.23Å; N379-N383 WeakPolarHBondContact O-CB 3.43Å; N379-N383 PolarHBondContact O-N 2.9Å; N379-N383 PolarHBondContact O-ND2 2.75Å; H380-N383 PolarHBondContact O-N 3.26Å; H380-N383 VanDerWaalsContact O-N 3.11Å
384	S	76.7	Confident	80.3	Confident	45 Å²	45	74.6 Å²	74.6	32%	0.315	39%	0.393	S	S	.	.	H	α-helix	trans	-100.1	-23.7	-179.3	68.9	0	0	0	0	113.8	H380 H386	H380-S384 PolarHBondContact CD2-OG 2.83Å; H380-S384 PolarHBondContact NE2-OG 3.08Å; H380-S384 PolarHBondContact O-N 2.98Å; H380-S384 PolarHBondContact O-OG 3.04Å; S384-H386 PolarHBondContact O-CD2 3.01Å; S384-H386 PolarHBondContact O-N 3Å; S384-H386 VanDerWaalsContact OG-CB 3.27Å; S384-H386 WeakPolarHBondContact OG-CB 3.41Å; S384-H386 VanDerWaalsContact OG-CG 3.24Å; S384-H386 PolarHBondContact OG-N 3.05Å; S384-H386 VanDerWaalsContact OG-N 3.11Å
385	G	75.9	Confident	80.5	Confident	66 Å²	66	71 Å²	71	68%	0.68	38%	0.377	S	S	*	.			trans	72.4	2.7	-168.9	0	0	0	0	0	114.4	K381	K381-G385 WeakPolarHBondContact O-CA 3.46Å; K381-G385 PolarHBondContact O-N 3.33Å
386	H	82.2	Confident	80.6	Confident	65 Å²	65	68.7 Å²	68.7	30%	0.301	36%	0.359	S	S	.	.			trans	-70.6	155.2	-178.2	-64.5	-174.9	0	0	0	112.8	C364 D366 H380 S384 V388	C364-H386 WeakPolarHBondContact SG-CB 3.22Å; D366-H386 HydrophobicContact CB-CB 4.07Å; D366-H386 WeakPolarHBondContact OD2-CA 3.47Å; D366-H386 WeakPolarHBondContact OD2-CB 3.47Å; D366-H386 IonicContact OD2-CG 2.69Å; H380-H386 AromaticContact NE2-CG 3.84Å; H380-H386 AromaticContact NE2-ND1 3.52Å; S384-H386 PolarHBondContact O-CD2 3.01Å; S384-H386 PolarHBondContact O-N 3Å; S384-H386 VanDerWaalsContact OG-CB 3.27Å; S384-H386 WeakPolarHBondContact OG-CB 3.41Å; S384-H386 VanDerWaalsContact OG-CG 3.24Å; S384-H386 PolarHBondContact OG-N 3.05Å; S384-H386 VanDerWaalsContact OG-N 3.11Å; H386-V388 PolarHBondContact O-N 3.04Å; H386-V388 VanDerWaalsContact O-N 3.13Å
387	K	77.3	Confident	80.8	Confident	170 Å²	170	67.3 Å²	67.3	74%	0.739	35%	0.349	S	S	*	.			trans	-89.6	75.2	-175.3	-167.7	-179.5	177.1	-179.3	0	111.9	D366 R389	D366-K387 PolarHBondContact OD2-N 3.2Å; K387-R389 PolarHBondContact O-N 2.99Å
388	V	80.3	Confident	81.1	Confident	22 Å²	22	66.4 Å²	66.4	13%	0.133	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-57.1	124.5	171.5	-168.3	0	0	0	0	110.6	C364 F371 T377 K381 H386	C364-V388 HydrophobicContact CB-CG2 4.21Å; F371-V388 HydrophobicContact CD2-CG1 4.39Å; T377-V388 HydrophobicContact CG2-CG1 4.19Å; K381-V388 HydrophobicContact CB-CG2 4.04Å; H386-V388 PolarHBondContact O-N 3.04Å; H386-V388 VanDerWaalsContact O-N 3.13Å
389	R	79.1	Confident	81.3	Confident	111 Å²	111	61 Å²	61	42%	0.419	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.2	168.8	-60.5	-175.6	-177	-171.4	2.9	108.5	G362 Y363 P365 K387	G362-R389 CarbonylContact C-O 3.43Å; G362-R389 VanDerWaalsContact CA-O 3.24Å; G362-R389 WeakPolarHBondContact CA-O 3.46Å; Y363-R389 PolarHBondContact N-O 2.89Å; Y363-R389 PolarHBondContact O-N 3.28Å; P365-R389 HydrophobicContact CG-CG 4.07Å; K387-R389 PolarHBondContact O-N 2.99Å
390	V	82.1	Confident	81.4	Confident	93 Å²	93	57.3 Å²	57.3	56%	0.564	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.5	171.4	180	0	0	0	0	108.8	N392	V390-N392 PolarHBondContact O-ND2 2.92Å; V390-N392 VanDerWaalsContact O-ND2 3.13Å
391	I	81.6	Confident	81.4	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-95.1	121.4	-176.1	-62.2	168.4	0	0	0	108.5	L360 R361 E396 L400	L360-I391 HydrophobicContact CB-CD1 3.53Å; L360-I391 HydrophobicContact CD1-CD1 4.49Å; R361-I391 PolarHBondContact O-N 3.35Å; I391-E396 HydrophobicContact CG2-CB 3.84Å; I391-L400 HydrophobicContact CD1-CD1 3.53Å; I391-L400 HydrophobicContact CG1-CD1 3.73Å
392	N	75.8	Confident	81.4	Confident	78 Å²	78	51.7 Å²	51.7	42%	0.417	27%	0.273	S	S	.	.			trans	-107.9	-10.6	-169.4	-66.7	-84.4	0	0	0	113.7	V390 E396	V390-N392 PolarHBondContact O-ND2 2.92Å; V390-N392 VanDerWaalsContact O-ND2 3.13Å; N392-E396 PolarHBondContact N-OE2 3.24Å
393	S	81.8	Confident	81.3	Confident	30 Å²	30	47.3 Å²	47.3	21%	0.21	25%	0.253	C	S	.	.	S	Bend	trans	-133.9	152.4	175.2	78.2	0	0	0	0	113.2	L284 E395 E396 S397	L284-S393 VanDerWaalsContact CD1-C 3.48Å; S393-E395 PolarHBondContact O-N 3.39Å; S393-E396 WeakPolarHBondContact CB-OE1 3.33Å; S393-E396 PolarHBondContact N-OE1 3Å; S393-E396 PolarHBondContact N-OE2 3.11Å; S393-E396 PolarHBondContact O-N 3.37Å; S393-E396 WeakPolarHBondContact OG-CG 3.39Å; S393-E396 PolarHBondContact OG-N 2.66Å; S393-E396 PolarHBondContact OG-OE1 3.33Å; S393-S397 PolarHBondContact O-N 2.91Å; S393-S397 VanDerWaalsContact O-N 3.1Å
394	V	84.3	Confident	81.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-25.9	176.1	179.8	0	0	0	0	111.3	F259 Q280 F282 L284 I294 I359 S397 V398	F259-V394 HydrophobicContact CE1-CG1 4.18Å; F259-V394 HydrophobicContact CZ-CG1 4.06Å; Q280-V394 HydrophobicContact CG-CG2 4.14Å; F282-V394 HydrophobicContact CB-CG2 4.09Å; L284-V394 HydrophobicContact CD1-CB 4.41Å; L284-V394 HydrophobicContact CD1-CG2 3.81Å; I294-V394 HydrophobicContact CD1-CB 4.02Å; I294-V394 HydrophobicContact CD1-CG1 3.73Å; I359-V394 HydrophobicContact CD1-CB 4.49Å; I359-V394 HydrophobicContact CD1-CG1 3.76Å; I359-V394 HydrophobicContact CD1-CG2 4.12Å; V394-S397 WeakPolarHBondContact O-CB 3.4Å; V394-S397 PolarHBondContact O-N 2.77Å; V394-V398 HydrophobicContact CG1-CG2 4.15Å; V394-V398 VanDerWaalsContact O-CG2 3.24Å; V394-V398 WeakPolarHBondContact O-CG2 3.42Å; V394-V398 PolarHBondContact O-N 3.38Å
395	E	82.6	Confident	80.8	Confident	45 Å²	45	40.6 Å²	40.6	21%	0.21	22%	0.217	C	C	.	.	H	α-helix	trans	-70.3	-46.8	177.7	-175.8	160.1	-102.4	0	0	112	K220 I294 S295 S393 S397 V398 L399	K220-E395 WeakPolarHBondContact CE-OE2 3.46Å; K220-E395 IonicContact NZ-OE1 2.71Å; K220-E395 PolarHBondContact NZ-OE1 3.3Å; K220-E395 IonicContact NZ-OE2 2.79Å; K220-E395 PolarHBondContact NZ-OE2 2.95Å; I294-E395 HydrophobicContact CG2-CB 4.14Å; I294-E395 HydrophobicContact CG2-CG 4.45Å; S295-E395 VanDerWaalsContact CB-OE1 3.24Å; S295-E395 WeakPolarHBondContact CB-OE1 3.33Å; S295-E395 PolarHBondContact N-OE1 2.91Å; S393-E395 PolarHBondContact O-N 3.39Å; E395-S397 VanDerWaalsContact C-N 3.28Å; E395-S397 PolarHBondContact O-N 3.05Å; E395-V398 PolarHBondContact O-N 2.99Å; E395-L399 HydrophobicContact CG-CD1 4.1Å; E395-L399 WeakPolarHBondContact O-CB 3.29Å; E395-L399 WeakPolarHBondContact O-CD1 3.43Å; E395-L399 WeakPolarHBondContact O-CG 3.48Å; E395-L399 PolarHBondContact O-N 2.88Å; E395-L399 VanDerWaalsContact O-N 3.14Å
396	E	83.3	Confident	80.4	Confident	45 Å²	45	41 Å²	41	21%	0.21	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-47.1	168.8	-70.3	148.1	-123.9	0	0	110.9	Y218 I391 N392 S393 L399 L400	Y218-E396 HydrophobicContact CD1-CG 4.26Å; Y218-E396 HydrophobicContact CD2-CG 4.08Å; Y218-E396 HydrophobicContact CE1-CB 4.1Å; Y218-E396 HydrophobicContact CE1-CG 4.05Å; Y218-E396 HydrophobicContact CE2-CG 3.86Å; Y218-E396 HydrophobicContact CG-CG 4.28Å; I391-E396 HydrophobicContact CG2-CB 3.84Å; N392-E396 PolarHBondContact N-OE2 3.24Å; S393-E396 WeakPolarHBondContact CB-OE1 3.33Å; S393-E396 PolarHBondContact N-OE1 3Å; S393-E396 PolarHBondContact N-OE2 3.11Å; S393-E396 PolarHBondContact O-N 3.37Å; S393-E396 WeakPolarHBondContact OG-CG 3.39Å; S393-E396 PolarHBondContact OG-N 2.66Å; S393-E396 PolarHBondContact OG-OE1 3.33Å; E396-L399 PolarHBondContact O-N 2.89Å; E396-L400 WeakPolarHBondContact O-CB 3.33Å; E396-L400 WeakPolarHBondContact O-CG 3.42Å; E396-L400 PolarHBondContact O-N 3.12Å
397	S	85.7	Confident	79	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-50	-178.1	-171.6	0	0	0	0	113	F358 I359 L360 S393 V394 E395 L399 L400 Y401	F358-S397 PolarHBondContact O-OG 3.04Å; I359-S397 WeakPolarHBondContact CA-OG 3.32Å; L360-S397 PolarHBondContact N-OG 3.47Å; S393-S397 PolarHBondContact O-N 2.91Å; S393-S397 VanDerWaalsContact O-N 3.1Å; V394-S397 WeakPolarHBondContact O-CB 3.4Å; V394-S397 PolarHBondContact O-N 2.77Å; E395-S397 VanDerWaalsContact C-N 3.28Å; E395-S397 PolarHBondContact O-N 3.05Å; S397-L399 PolarHBondContact O-N 3.4Å; S397-L400 PolarHBondContact O-N 3.43Å; S397-Y401 WeakPolarHBondContact O-CB 3.42Å; S397-Y401 PolarHBondContact O-N 3.44Å
398	V	86.3	Confident	77.6	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-39.7	179.8	173.8	0	0	0	0	110.9	F296 P297 A300 F358 V394 E395 Y401 C402	F296-V398 HydrophobicContact CD2-CG1 4.03Å; F296-V398 HydrophobicContact CE2-CG1 3.88Å; F296-V398 HydrophobicContact CE2-CG2 4.04Å; P297-V398 HydrophobicContact CG-CG1 4.17Å; A300-V398 HydrophobicContact CB-CG1 3.74Å; F358-V398 HydrophobicContact CB-CG2 3.86Å; V394-V398 HydrophobicContact CG1-CG2 4.15Å; V394-V398 VanDerWaalsContact O-CG2 3.24Å; V394-V398 WeakPolarHBondContact O-CG2 3.42Å; V394-V398 PolarHBondContact O-N 3.38Å; E395-V398 PolarHBondContact O-N 2.99Å; V398-Y401 PolarHBondContact O-N 3.4Å; V398-C402 PolarHBondContact O-N 3.2Å; V398-C402 PolarHBondContact O-SG 3.13Å
399	L	84.1	Confident	75.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-42.6	178.6	-74.2	165.6	0	0	0	112.2	A213 Y218 Q248 P297 E395 E396 S397 C402 H403	A213-L399 HydrophobicContact CB-CD2 4.16Å; Y218-L399 HydrophobicContact CD1-CB 4.45Å; Y218-L399 HydrophobicContact CD1-CD1 3.85Å; Y218-L399 HydrophobicContact CE1-CB 4.41Å; Q248-L399 HydrophobicContact CB-CD2 3.66Å; Q248-L399 HydrophobicContact CG-CD2 3.85Å; P297-L399 HydrophobicContact CG-CD2 3.66Å; P297-L399 HydrophobicContact CG-CG 4.41Å; E395-L399 HydrophobicContact CG-CD1 4.1Å; E395-L399 WeakPolarHBondContact O-CB 3.29Å; E395-L399 WeakPolarHBondContact O-CD1 3.43Å; E395-L399 WeakPolarHBondContact O-CG 3.48Å; E395-L399 PolarHBondContact O-N 2.88Å; E395-L399 VanDerWaalsContact O-N 3.14Å; E396-L399 PolarHBondContact O-N 2.89Å; S397-L399 PolarHBondContact O-N 3.4Å; L399-C402 PolarHBondContact O-N 3.4Å; L399-H403 PolarHBondContact O-N 3.32Å
400	L	82.7	Confident	73.5	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-41.3	174.4	-73.3	169.4	0	0	0	111.8	V215 Y218 L360 Y363 I391 E396 S397 C402 H403 S404	V215-L400 HydrophobicContact CG1-CD2 4.1Å; Y218-L400 HydrophobicContact CE1-CG 4.48Å; Y218-L400 WeakPolarHBondContact OH-CD1 3.46Å; L360-L400 HydrophobicContact CD1-CB 4.27Å; Y363-L400 HydrophobicContact CD1-CD1 4.42Å; Y363-L400 HydrophobicContact CD1-CD2 3.73Å; Y363-L400 HydrophobicContact CD2-CD2 4.36Å; Y363-L400 HydrophobicContact CE1-CD2 3.97Å; Y363-L400 HydrophobicContact CG-CD1 4.28Å; Y363-L400 HydrophobicContact CG-CD2 3.94Å; I391-L400 HydrophobicContact CD1-CD1 3.53Å; I391-L400 HydrophobicContact CG1-CD1 3.73Å; E396-L400 WeakPolarHBondContact O-CB 3.33Å; E396-L400 WeakPolarHBondContact O-CG 3.42Å; E396-L400 PolarHBondContact O-N 3.12Å; S397-L400 PolarHBondContact O-N 3.43Å; L400-C402 VanDerWaalsContact C-N 3.34Å; L400-C402 PolarHBondContact O-N 3.12Å; L400-H403 PolarHBondContact O-N 3.32Å; L400-S404 WeakPolarHBondContact O-CB 3.31Å; L400-S404 PolarHBondContact O-N 3.11Å; L400-S404 PolarHBondContact O-OG 3.42Å
401	Y	84	Confident	71.2	Confident	36 Å²	36	44.6 Å²	44.6	14%	0.141	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-42.9	175.5	-176.7	-78.6	0	0	0	111.7	F299 L303 K357 F358 L360 S397 V398 S404 S405	F299-Y401 HydrophobicContact CE1-CE1 4.32Å; L303-Y401 HydrophobicContact CD2-CE1 3.86Å; K357-Y401 WeakPolarHBondContact CE-OH 3.33Å; K357-Y401 WeakPolarHBondContact O-CD2 3.27Å; K357-Y401 WeakPolarHBondContact O-CE2 3.47Å; F358-Y401 AromaticContact CD1-CD1 3.56Å; F358-Y401 HydrophobicContact CD1-CD1 3.56Å; F358-Y401 AromaticContact CD1-CE1 3.9Å; F358-Y401 HydrophobicContact CD1-CE1 3.9Å; F358-Y401 HydrophobicContact CD1-CG 4.04Å; F358-Y401 HydrophobicContact CE1-CD1 4.01Å; F358-Y401 HydrophobicContact CE1-CE1 4Å; L360-Y401 HydrophobicContact CD1-CD2 4.45Å; L360-Y401 HydrophobicContact CD2-CD2 4.43Å; S397-Y401 WeakPolarHBondContact O-CB 3.42Å; S397-Y401 PolarHBondContact O-N 3.44Å; V398-Y401 PolarHBondContact O-N 3.4Å; Y401-S404 PolarHBondContact O-OG 3.3Å; Y401-S405 VanDerWaalsContact CE1-OG 3.32Å; Y401-S405 WeakPolarHBondContact CE1-OG 3.24Å; Y401-S405 VanDerWaalsContact O-CB 3.22Å; Y401-S405 WeakPolarHBondContact O-CB 3.43Å; Y401-S405 PolarHBondContact O-N 3.32Å; Y401-S405 PolarHBondContact O-OG 3.17Å
402	C	83.5	Confident	68.8	Low	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-53.3	174.6	-64.7	0	0	0	0	110.5	F299 V398 L399 L400 S404 S405 E406	F299-C402 HydrophobicContact CD1-CB 4.23Å; V398-C402 PolarHBondContact O-N 3.2Å; V398-C402 PolarHBondContact O-SG 3.13Å; L399-C402 PolarHBondContact O-N 3.4Å; L400-C402 VanDerWaalsContact C-N 3.34Å; L400-C402 PolarHBondContact O-N 3.12Å; C402-S404 PolarHBondContact O-N 2.63Å; C402-S405 PolarHBondContact O-N 3.24Å; C402-E406 WeakPolarHBondContact O-CB 3.38Å; C402-E406 WeakPolarHBondContact O-CG 3.37Å; C402-E406 PolarHBondContact O-N 2.96Å
403	H	78.7	Confident	66.6	Low	42 Å²	42	47.3 Å²	47.3	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-42.6	-177.4	-175.4	56.4	0	0	0	113.5	V215 L399 L400 S405 G407	V215-H403 HydrophobicContact CB-CB 4.46Å; V215-H403 HydrophobicContact CG1-CB 3.7Å; V215-H403 HydrophobicContact CG2-CB 3.99Å; L399-H403 PolarHBondContact O-N 3.32Å; L400-H403 PolarHBondContact O-N 3.32Å; H403-S405 VanDerWaalsContact C-N 3.35Å; H403-G407 PolarHBondContact O-N 2.86Å
404	S	75.8	Confident	64.3	Low	8 Å²	8	50.6 Å²	50.6	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-71.3	-28.6	176.2	62.3	0	0	0	0	112.7	L400 Y401 C402 N408	L400-S404 WeakPolarHBondContact O-CB 3.31Å; L400-S404 PolarHBondContact O-N 3.11Å; L400-S404 PolarHBondContact O-OG 3.42Å; Y401-S404 PolarHBondContact O-OG 3.3Å; C402-S404 PolarHBondContact O-N 2.63Å; S404-N408 PolarHBondContact O-ND2 3.1Å
405	S	70.5	Confident	62	Low	33 Å²	33	56.6 Å²	56.6	23%	0.231	32%	0.324	C	S	.	.	H	α-helix	trans	-76	-33.8	176.1	-61.1	0	0	0	0	112.8	Y401 C402 H403	Y401-S405 VanDerWaalsContact CE1-OG 3.32Å; Y401-S405 WeakPolarHBondContact CE1-OG 3.24Å; Y401-S405 VanDerWaalsContact O-CB 3.22Å; Y401-S405 WeakPolarHBondContact O-CB 3.43Å; Y401-S405 PolarHBondContact O-N 3.32Å; Y401-S405 PolarHBondContact O-OG 3.17Å; C402-S405 PolarHBondContact O-N 3.24Å; H403-S405 VanDerWaalsContact C-N 3.35Å
406	E	66.9	Low	59.5	Low	75 Å²	75	61.4 Å²	61.4	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-80.3	-44.5	178	-69.2	168.9	166.3	0	0	110.8	Q248 F299 C402 N408 K409	Q248-E406 PolarHBondContact NE2-OE2 3.05Å; F299-E406 VanDerWaalsContact CB-OE1 3.32Å; F299-E406 WeakPolarHBondContact CB-OE1 3.44Å; F299-E406 HydrophobicContact CD2-CG 4.19Å; F299-E406 HydrophobicContact CE2-CG 4.42Å; F299-E406 HydrophobicContact CG-CG 4.48Å; C402-E406 WeakPolarHBondContact O-CB 3.38Å; C402-E406 WeakPolarHBondContact O-CG 3.37Å; C402-E406 PolarHBondContact O-N 2.96Å; E406-N408 PolarHBondContact O-N 3.39Å; E406-K409 PolarHBondContact O-N 2.58Å
407	G	53.5	Low	57	Low	48 Å²	48	64 Å²	64	50%	0.495	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.3	-178.6	0	0	0	0	0	116.2	H403	H403-G407 PolarHBondContact O-N 2.86Å
408	N	48.1	Very low	54.6	Low	125 Å²	125	70.3 Å²	70.3	67%	0.668	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	19.8	171.5	-82.5	-73.9	0	0	0	112.7	S404 E406	S404-N408 PolarHBondContact O-ND2 3.1Å; E406-N408 PolarHBondContact O-N 3.39Å
409	K	41.2	Very low	52	Low	121 Å²	121	77.7 Å²	77.7	53%	0.526	43%	0.433	S	S	.	.	S	Bend	trans	-132	140.2	171.9	-66.4	-172.9	176.6	-172.3	0	110.9	E406	E406-K409 PolarHBondContact O-N 2.58Å
410	D	31.2	Very low	49.2	Very low	120 Å²	120	82.7 Å²	82.7	64%	0.642	46%	0.46	S	S	*	.			trans	-68.1	132.5	177.7	-96.4	-57	0	0	0	111.8	S412 S413	D410-S412 PolarHBondContact O-N 3.18Å; D410-S413 WeakPolarHBondContact O-CB 3.24Å; D410-S413 PolarHBondContact O-N 3.08Å; D410-S413 PolarHBondContact O-OG 2.87Å
411	P	33	Very low	46.7	Very low	122 Å²	122	90.6 Å²	90.6	79%	0.792	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-12.6	179.9	-26.4	35.2	0	0	0	115.6	S413	P411-S413 VanDerWaalsContact C-N 3.32Å
412	S	31.1	Very low	44.4	Very low	111 Å²	111	93.9 Å²	93.9	78%	0.776	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.9	174.3	55	0	0	0	0	114	D410	D410-S412 PolarHBondContact O-N 3.18Å
413	S	30.6	Very low	42.2	Very low	28 Å²	28	102.2 Å²	102.2	20%	0.196	56%	0.561	C	S	.	*	S	Bend	trans	-95	-18.6	-172.1	67.7	0	0	0	0	115.2	D410 P411 V415 H416 L417	D410-S413 WeakPolarHBondContact O-CB 3.24Å; D410-S413 PolarHBondContact O-N 3.08Å; D410-S413 PolarHBondContact O-OG 2.87Å; P411-S413 VanDerWaalsContact C-N 3.32Å; S413-V415 VanDerWaalsContact C-N 3.25Å; S413-V415 PolarHBondContact O-N 3.47Å; S413-V415 VanDerWaalsContact O-N 3.08Å; S413-H416 PolarHBondContact O-N 2.95Å; S413-L417 PolarHBondContact O-N 3.26Å
414	D	33.9	Very low	39.7	Very low	98 Å²	98	109.5 Å²	109.5	52%	0.524	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	11.4	-159.9	-124.4	15.4	0	0	0	115.5
415	V	35.1	Very low	37.8	Very low	127 Å²	127	110 Å²	110	77%	0.77	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-23.1	171.3	-178.7	0	0	0	0	112.5	S413	S413-V415 VanDerWaalsContact C-N 3.25Å; S413-V415 PolarHBondContact O-N 3.47Å; S413-V415 VanDerWaalsContact O-N 3.08Å
416	H	30.8	Very low	36.5	Very low	145 Å²	145	112.4 Å²	112.4	67%	0.671	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-28.1	-176.8	-90.1	-97	0	0	0	114.7	S413 L418	S413-H416 PolarHBondContact O-N 2.95Å; H416-L418 VanDerWaalsContact C-N 3.29Å; H416-L418 PolarHBondContact O-N 2.84Å
417	L	31.3	Very low	35.7	Very low	100 Å²	100	109.4 Å²	109.4	52%	0.524	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	6.1	-174.3	-67.3	-179.9	0	0	0	115.8	S413	S413-L417 PolarHBondContact O-N 3.26Å
418	L	34.2	Very low	35.5	Very low	133 Å²	133	110.8 Å²	110.8	70%	0.696	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	1.6	174.3	-71.1	177.1	0	0	0	114.3	H416	H416-L418 VanDerWaalsContact C-N 3.29Å; H416-L418 PolarHBondContact O-N 2.84Å
419	L	31.7	Very low	35.4	Very low	155 Å²	155	111.2 Å²	111.2	81%	0.812	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-31.7	166.7	-92.9	72.8	0	0	0	112.6	Q421	L419-Q421 PolarHBondContact O-N 3.34Å
420	D	25.8	Very low	34.9	Very low	105 Å²	105	111.4 Å²	111.4	56%	0.561	60%	0.595	S	S	*	*			trans	-95.4	56.7	-176.7	-161.5	15	0	0	0	113.8
421	Q	30.6	Very low	34.9	Very low	170 Å²	170	111.7 Å²	111.7	79%	0.794	59%	0.594	S	S	*	*			trans	-111.2	32.1	167.9	-153.7	168.9	50	0	0	112	L419	L419-Q421 PolarHBondContact O-N 3.34Å
422	S	34.2	Very low	34.5	Very low	105 Å²	105	111.2 Å²	111.2	73%	0.734	59%	0.594	S	S	*	*	S	Bend	trans	-118.9	20.6	-179.2	63.1	0	0	0	0	114
423	K	37.4	Very low	34.5	Very low	175 Å²	175	112.3 Å²	112.3	76%	0.761	60%	0.595	S	S	*	*			trans	-138.1	21.4	-174.4	-112.4	177.4	-177.4	-177	0	118.1	S425	K423-S425 PolarHBondContact O-N 3.21Å
424	F	27.3	Very low	34.3	Very low	195 Å²	195	120.2 Å²	120.2	86%	0.855	63%	0.626	S	S	*	*			trans	-77.2	105.3	157.9	-79.9	-74	0	0	0	109.5	S426	F424-S426 PolarHBondContact O-N 3.34Å
425	S	34.9	Very low	33.9	Very low	18 Å²	18	125 Å²	125	13%	0.126	65%	0.645	C	S	.	*			trans	-72.7	121.3	175.2	-163.8	0	0	0	0	109.9	K423 L427 K428 E487 K543	K423-S425 PolarHBondContact O-N 3.21Å; S425-L427 PolarHBondContact O-N 2.71Å; S425-K428 PolarHBondContact O-N 3.16Å; S425-E487 WeakPolarHBondContact CB-OE2 3.3Å; S425-E487 PolarHBondContact OG-OE2 2.94Å; S425-K543 PolarHBondContact OG-NZ 3.18Å
426	S	44.1	Very low	33.4	Very low	84 Å²	84	124.5 Å²	124.5	59%	0.587	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	6.7	-179.5	-42.7	0	0	0	0	115	F424 D544	F424-S426 PolarHBondContact O-N 3.34Å; S426-D544 PolarHBondContact OG-OD1 3.43Å
427	L	50.2	Low	33.1	Very low	13 Å²	13	123.4 Å²	123.4	7%	0.068	66%	0.656	C	S	.	*	T	Hydrogen-bonded Turn	trans	-112.8	-17.8	-171.6	-54.1	178.1	0	0	0	113.3	S425 R429 V490 M547 F560	S425-L427 PolarHBondContact O-N 2.71Å; L427-R429 PolarHBondContact O-N 2.72Å; L427-V490 HydrophobicContact CD1-CG1 4.16Å; L427-M547 HydrophobicContact CD1-CE 4.27Å; L427-M547 HydrophobicContact CD1-SD 3.91Å; L427-M547 HydrophobicContact CD2-CE 3.66Å; L427-M547 HydrophobicContact CD2-CG 4.02Å; L427-M547 HydrophobicContact CD2-SD 4.02Å; L427-F560 HydrophobicContact CB-CD1 3.89Å; L427-F560 HydrophobicContact CB-CE1 3.61Å; L427-F560 HydrophobicContact CB-CZ 4.19Å; L427-F560 HydrophobicContact CD1-CD1 4.47Å; L427-F560 HydrophobicContact CD1-CE1 4Å; L427-F560 HydrophobicContact CG-CE1 4.43Å; L427-F560 PolarHBondContact O-N 3.18Å; L427-F560 VanDerWaalsContact O-N 3.13Å; L427-F560 VanDerWaalsContact O-O 3.1Å
428	K	47.9	Very low	32.8	Very low	77 Å²	77	124 Å²	124	34%	0.335	67%	0.669	S	S	.	*	B	Isolated β-bridge	trans	-78.3	118.2	-178.8	-173.9	-179	-174.1	173.6	0	110.5	S425 W472 F560 E562	S425-K428 PolarHBondContact O-N 3.16Å; K428-W472 HydrophobicContact CD-CH2 4.21Å; K428-W472 HydrophobicContact CD-CZ3 3.97Å; K428-W472 HydrophobicContact CG-CZ3 4.34Å; K428-W472 VanDerWaalsContact NZ-CH2 3.29Å; K428-F560 HydrophobicContact CB-CD2 4.4Å; K428-F560 HydrophobicContact CB-CE2 3.86Å; K428-F560 HydrophobicContact CG-CE2 4.28Å; K428-E562 WeakPolarHBondContact CE-OE2 3.26Å; K428-E562 IonicContact NZ-OE2 2.68Å; K428-E562 PolarHBondContact NZ-OE2 3.39Å
429	R	45.9	Very low	32.5	Very low	133 Å²	133	125.8 Å²	125.8	50%	0.502	67%	0.674	S	S	.	*			trans	-109	114.6	174.6	-172	-178.4	-71.7	155.9	-1	112	L427 M431 F560	L427-R429 PolarHBondContact O-N 2.72Å; R429-M431 HydrophobicContact CG-CE 3.95Å; R429-M431 PolarHBondContact O-N 3.22Å; R429-F560 PolarHBondContact N-O 3.4Å; R429-F560 VanDerWaalsContact N-O 3.1Å
430	T	32.4	Very low	32.1	Very low	126 Å²	126	126 Å²	126	77%	0.773	67%	0.671	S	S	*	*			trans	-68.2	124.4	168.7	-45.8	0	0	0	0	110.3	S432	T430-S432 PolarHBondContact O-N 3.26Å
431	M	29.4	Very low	31.9	Very low	126 Å²	126	125.7 Å²	125.7	62%	0.621	68%	0.676	S	S	*	*			trans	-89.1	102.9	172.8	-69.7	-79.6	76.4	0	0	110.3	R429 V433	R429-M431 HydrophobicContact CG-CE 3.95Å; R429-M431 PolarHBondContact O-N 3.22Å; M431-V433 PolarHBondContact O-N 2.71Å
432	S	26.1	Very low	31.5	Very low	112 Å²	112	125.2 Å²	125.2	78%	0.783	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-66.4	126.5	162.2	179	0	0	0	0	108.7	T430 K434	T430-S432 PolarHBondContact O-N 3.26Å; S432-K434 PolarHBondContact O-N 2.9Å
433	V	29.6	Very low	30.8	Very low	133 Å²	133	124.8 Å²	124.8	81%	0.806	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-63.4	121.2	176	177.6	0	0	0	0	108.4	M431 E435	M431-V433 PolarHBondContact O-N 2.71Å; V433-E435 PolarHBondContact O-N 2.93Å
434	K	27.1	Very low	30	Very low	194 Å²	194	124.5 Å²	124.5	84%	0.843	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-64.3	126.3	175.7	-78.1	-175.7	173.9	-179.3	0	110.2	S432 S436	S432-K434 PolarHBondContact O-N 2.9Å; K434-S436 PolarHBondContact O-N 3.26Å
435	E	25.8	Very low	30.4	Very low	198 Å²	198	120 Å²	120	93%	0.925	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59	128.1	162.9	-63.1	175.9	118.6	0	0	109.8	V433	V433-E435 PolarHBondContact O-N 2.93Å
436	S	24.2	Very low	29.9	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	71%	0.71	S	S	*	*			trans	-108.4	134.2	162	51.4	0	0	0	0	108.6	K434	K434-S436 PolarHBondContact O-N 3.26Å
437	S	25.4	Very low	29	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	72%	0.721	S	S	*	*			trans	-85.5	125.4	-160.6	54.3	0	0	0	0	114.6
438	S	25.6	Very low	27.7	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	76%	0.76	S	S	*	*			trans	-157.6	82.8	157.7	62.8	0	0	0	0	113.8
439	Q	26.1	Very low	26.4	Very low	170 Å²	170	145.6 Å²	145.6	79%	0.794	78%	0.777	S	S	*	*			trans	21	125.7	136.7	-166.3	163.1	-11.9	0	0	121.1
440	E	23.6	Very low	25.4	Very low	159 Å²	159	145.1 Å²	145.1	74%	0.743	78%	0.784	S	S	*	*			trans	67.9	148.8	159.7	-69	168.3	-127.9	0	0	117.9
441	C	21	Very low	25.1	Very low	99 Å²	99	145.4 Å²	145.4	67%	0.669	78%	0.78	S	S	*	*			cis	-152.9	154.7	2.3	-137.3	0	0	0	0	113.7
442	I	22.3	Very low	24.9	Very low	160 Å²	160	147.4 Å²	147.4	82%	0.821	79%	0.785	S	S	*	*			trans	8.7	123.7	157.6	-54.7	162.3	0	0	0	119.9
443	A	19.6	Very low	24.8	Very low	95 Å²	95	146.9 Å²	146.9	79%	0.785	77%	0.774	S	S	*	*				178.7	139.9	123.1	0	0	0	0	0	116.1
444	I	21.3	Very low	24.8	Very low	169 Å²	169	149.5 Å²	149.5	87%	0.867	77%	0.774	S	S	*	*			trans	-133.8	171.9	158.8	6	172.3	0	0	0	107.1
445	P	35.4	Very low	24.7	Very low	100 Å²	100	146.2 Å²	146.2	65%	0.649	78%	0.776	S	S	*	*			cis	-128.8	-170.4	-23.4	38.3	-22.1	0	0	0	111.6
446	K	23.9	Very low	24.7	Very low	202 Å²	202	144.5 Å²	144.5	88%	0.878	77%	0.767	S	S	*	*			trans	-174.6	95.3	133.7	-99.5	149.4	-167.7	169.7	0	116.7
447	K	26	Very low	24.9	Very low	186 Å²	186	147.3 Å²	147.3	81%	0.809	77%	0.768	S	S	*	*			trans	-9.1	133.6	138	-176	-179	-170.3	174.6	0	117.4
448	K	23.3	Very low	24.8	Very low	204 Å²	204	145.3 Å²	145.3	89%	0.887	77%	0.766	S	S	*	*			trans	-151.7	144.6	146.4	-133.4	-177.1	-176.8	-176.3	0	114
449	M	21.4	Very low	24.7	Very low	139 Å²	139	148.1 Å²	148.1	69%	0.685	77%	0.77	S	S	*	*			trans	-97.6	179.3	166.8	-48	161.7	78.1	0	0	107.3
450	N	23.8	Very low	24.7	Very low	122 Å²	122	144.5 Å²	144.5	65%	0.652	77%	0.77	S	S	*	*			cis	-168.6	165.8	12.6	-142.6	-1.4	0	0	0	111
451	L	25.6	Very low	24.7	Very low	132 Å²	132	142.7 Å²	142.7	69%	0.691	77%	0.773	S	S	*	*			trans	63.2	118.9	145.7	-108.2	71.6	0	0	0	125.1
452	K	25.5	Very low	25.1	Very low	168 Å²	168	144.2 Å²	144.2	73%	0.73	78%	0.779	S	S	*	*				91.2	137.3	116.4	-112.7	177.3	169.8	-95.8	0	126.2
453	D	24.4	Very low	25.4	Very low	101 Å²	101	145.4 Å²	145.4	54%	0.54	78%	0.781	S	S	.	*			trans	75.7	106.6	147.4	-79.6	-50.9	0	0	0	124.7
454	K	30	Very low	26	Very low	189 Å²	189	150.2 Å²	150.2	82%	0.822	79%	0.785	S	S	*	*			trans	45.1	123.3	130.5	-59.5	178.5	-174.4	-175.5	0	123.1
455	S	24.1	Very low	26.6	Very low	125 Å²	125	151.2 Å²	151.2	87%	0.874	79%	0.786	S	S	*	*				-170.1	-178.5	110.7	53.7	0	0	0	0	112.1
456	H	26.9	Very low	26.5	Very low	162 Å²	162	155.9 Å²	155.9	75%	0.75	80%	0.795	S	S	*	*			trans	-87.7	155.2	-159.5	-91.3	-121.3	0	0	0	117.2
457	E	27.7	Very low	27	Very low	176 Å²	176	151.5 Å²	151.5	82%	0.822	79%	0.79	S	S	*	*			trans	57.7	120.2	145.4	-73.1	158.9	-137.8	0	0	121.7
458	G	22.6	Very low	27.9	Very low	80 Å²	80	146.9 Å²	146.9	83%	0.825	78%	0.777	S	S	*	*			trans	-178.1	120.9	169.4	0	0	0	0	0	112.1
459	I	25.1	Very low	29.7	Very low	172 Å²	172	140.8 Å²	140.8	88%	0.882	76%	0.757	S	S	*	*			trans	-72.5	136.6	-166.5	-72.3	166.6	0	0	0	114.3
460	A	24.7	Very low	32.1	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	75%	0.745	S	S	*	*			trans	55.8	118.1	154.6	0	0	0	0	0	121.9
461	C	24.9	Very low	34.5	Very low	120 Å²	120	133.4 Å²	133.4	81%	0.811	72%	0.716	S	S	*	*				-154.3	131.1	119.9	-163.9	0	0	0	0	110.5
462	V	28.4	Very low	37.2	Very low	132 Å²	132	128.1 Å²	128.1	80%	0.8	69%	0.687	S	S	*	*			trans	-87.9	114.3	173.1	176	0	0	0	0	108.9	K464	V462-K464 PolarHBondContact O-N 3.41Å; V462-K464 VanDerWaalsContact O-N 3.16Å
463	Q	29.9	Very low	39.3	Very low	185 Å²	185	121.4 Å²	121.4	86%	0.864	66%	0.658	S	S	*	*			trans	-70.7	107	168.3	-69.8	-175.7	-8.5	0	0	108.8	E465	Q463-E465 PolarHBondContact O-N 3.08Å
464	K	32.2	Very low	41.9	Very low	196 Å²	196	116.6 Å²	116.6	85%	0.852	63%	0.632	S	S	*	*			trans	-66.8	122.1	168.1	-83.2	-173.4	171.1	-175.4	0	109.4	V462	V462-K464 PolarHBondContact O-N 3.41Å; V462-K464 VanDerWaalsContact O-N 3.16Å
465	E	32.8	Very low	44.1	Very low	190 Å²	190	110 Å²	110	89%	0.888	60%	0.604	S	S	*	*			trans	-59.9	142.7	161.6	-64.1	-179.7	123.8	0	0	109.7	Q463 S467	Q463-E465 PolarHBondContact O-N 3.08Å; E465-S467 PolarHBondContact O-N 3.27Å
466	K	34.4	Very low	46.3	Very low	197 Å²	197	106.2 Å²	106.2	86%	0.857	58%	0.578	S	S	*	*			trans	-81.6	113.3	174.4	-71.6	-171.3	174.9	-169.8	0	108.9	V468	K466-V468 PolarHBondContact O-N 2.95Å
467	S	32.4	Very low	48.4	Very low	110 Å²	110	104.3 Å²	104.3	77%	0.769	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-61.3	118.7	174	-172.8	0	0	0	0	110.4	E465	E465-S467 PolarHBondContact O-N 3.27Å
468	V	45.8	Very low	50.6	Low	89 Å²	89	100.7 Å²	100.7	54%	0.539	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-84.9	118.8	169.6	177.5	0	0	0	0	107.7	K466 D564	K466-V468 PolarHBondContact O-N 2.95Å; V468-D564 HydrophobicContact CG1-CB 3.86Å
469	V	61.5	Low	53	Low	76 Å²	76	103.1 Å²	103.1	46%	0.461	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.3	-178.9	-178.1	0	0	0	0	109.6	E565	V469-E565 PolarHBondContact O-N 2.93Å
470	K	70.9	Confident	55.6	Low	98 Å²	98	96.4 Å²	96.4	43%	0.426	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129	175.8	-78.1	176.4	170.1	-53.9	0	110.8	E562 D564	K470-E562 VanDerWaalsContact CD-OE1 3.23Å; K470-E562 WeakPolarHBondContact CD-OE1 3.25Å; K470-E562 WeakPolarHBondContact CE-OE1 3.41Å; K470-E562 IonicContact NZ-OE1 3.69Å; K470-E562 PolarHBondContact NZ-OE1 2.96Å; K470-D564 VanDerWaalsContact CG-OD1 3.22Å; K470-D564 WeakPolarHBondContact CG-OD1 3.1Å; K470-D564 IonicContact NZ-OD1 3.4Å; K470-D564 PolarHBondContact NZ-OD1 2.82Å; K470-D564 IonicContact NZ-OD2 3.71Å
471	T	75	Confident	57.8	Low	8 Å²	8	97 Å²	97	5%	0.049	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.8	177.8	24.2	0	0	0	0	113.3	R479 E562 M563	T471-R479 HydrophobicContact CG2-CG 4.42Å; T471-E562 WeakPolarHBondContact O-CA 3.11Å; T471-M563 PolarHBondContact N-O 2.93Å; T471-M563 PolarHBondContact O-N 3.21Å; T471-M563 PolarHBondContact OG1-O 3.16Å
472	W	82.1	Confident	60.3	Low	21 Å²	21	93.5 Å²	93.5	8%	0.08	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.1	-167.8	-60.8	82.2	0	0	0	110.4	K428 R479 F480 E483 V486 F560 Y561 E562	K428-W472 HydrophobicContact CD-CH2 4.21Å; K428-W472 HydrophobicContact CD-CZ3 3.97Å; K428-W472 HydrophobicContact CG-CZ3 4.34Å; K428-W472 VanDerWaalsContact NZ-CH2 3.29Å; W472-R479 CarbonylContact O-C 3.51Å; W472-R479 WeakPolarHBondContact O-CA 3.43Å; W472-F480 HydrophobicContact CB-CB 4.24Å; W472-F480 PolarHBondContact N-O 2.88Å; W472-F480 PolarHBondContact O-N 2.92Å; W472-E483 HydrophobicContact CD2-CB 4.14Å; W472-E483 HydrophobicContact CE3-CB 4.08Å; W472-E483 HydrophobicContact CE3-CG 4.12Å; W472-E483 HydrophobicContact CH2-CB 3.64Å; W472-E483 HydrophobicContact CH2-CG 3.74Å; W472-E483 WeakPolarHBondContact CH2-OE2 3.32Å; W472-E483 HydrophobicContact CZ2-CB 3.77Å; W472-E483 HydrophobicContact CZ2-CG 4.39Å; W472-E483 HydrophobicContact CZ3-CB 3.82Å; W472-E483 VanDerWaalsContact CZ3-CD 3.43Å; W472-E483 HydrophobicContact CZ3-CG 3.6Å; W472-V486 HydrophobicContact CB-CB 4.3Å; W472-V486 HydrophobicContact CB-CG1 3.99Å; W472-V486 HydrophobicContact CE3-CG1 4.3Å; W472-F560 HydrophobicContact CE3-CD2 4.11Å; W472-F560 HydrophobicContact CE3-CE2 4.2Å; W472-F560 HydrophobicContact CZ3-CD2 4.29Å; W472-F560 HydrophobicContact CZ3-CE2 4.03Å; W472-Y561 WeakPolarHBondContact CA-O 3.49Å; W472-E562 HydrophobicContact CE3-CB 4.25Å; W472-E562 HydrophobicContact CH2-CB 4.48Å; W472-E562 HydrophobicContact CH2-CG 4.41Å; W472-E562 HydrophobicContact CZ2-CG 4.27Å; W472-E562 HydrophobicContact CZ3-CB 4.21Å
473	F	69.1	Low	62.6	Low	27 Å²	27	90.2 Å²	90.2	12%	0.118	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.4	-176.6	-65.9	-94.3	0	0	0	110.2	Q478 R479 F560 Y561 M563	F473-Q478 WeakPolarHBondContact CA-O 3.32Å; F473-R479 HydrophobicContact CD1-CB 4.09Å; F473-R479 HydrophobicContact CE1-CB 3.69Å; F473-R479 HydrophobicContact CE1-CG 3.86Å; F473-R479 HydrophobicContact CZ-CB 4.28Å; F473-R479 HydrophobicContact CZ-CG 3.91Å; F473-F560 CarbonylContact O-C 3.55Å; F473-F560 WeakPolarHBondContact O-CA 3.42Å; F473-F560 VanDerWaalsContact O-CB 3.29Å; F473-F560 WeakPolarHBondContact O-CB 3.18Å; F473-Y561 HydrophobicContact CB-CD1 4.25Å; F473-Y561 HydrophobicContact CB-CD2 4.17Å; F473-Y561 HydrophobicContact CB-CE1 3.77Å; F473-Y561 HydrophobicContact CB-CE2 3.67Å; F473-Y561 HydrophobicContact CB-CG 4.44Å; F473-Y561 VanDerWaalsContact CB-CZ 3.45Å; F473-Y561 HydrophobicContact CD2-CE2 4.18Å; F473-Y561 HydrophobicContact CG-CE2 4.11Å; F473-Y561 PolarHBondContact N-O 3.49Å; F473-Y561 WeakPolarHBondContact O-CD1 3.47Å; F473-Y561 PolarHBondContact O-N 3.49Å; F473-M563 HydrophobicContact CD2-CB 4.23Å; F473-M563 HydrophobicContact CE2-CB 4Å; F473-M563 HydrophobicContact CE2-CE 4.22Å; F473-M563 HydrophobicContact CZ-CE 4.37Å
474	C	79.6	Confident	64.6	Low	0 Å²	0	85.9 Å²	85.9	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	159.7	166.9	-175	0	0	0	0	109.8	C476 N477 Q478 F480 V486	C474-C476 PolarHBondContact O-N 2.97Å; C474-N477 WeakPolarHBondContact O-CA 3.29Å; C474-N477 PolarHBondContact O-N 3.27Å; C474-Q478 PolarHBondContact N-O 2.9Å; C474-F480 HydrophobicContact CB-CE2 4.17Å; C474-V486 HydrophobicContact CB-CG2 3.77Å
475	E	75.8	Confident	66.6	Low	51 Å²	51	77.9 Å²	77.9	24%	0.238	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.9	175.4	66.7	179.5	-144.3	0	0	114.9	N477 H557 R558 Y559	E475-N477 PolarHBondContact O-N 2.99Å; E475-H557 WeakPolarHBondContact OE1-CA 3.44Å; E475-R558 WeakPolarHBondContact OE1-CG 3.38Å; E475-R558 PolarHBondContact OE1-N 2.99Å; E475-R558 WeakPolarHBondContact OE2-CA 3.48Å; E475-R558 WeakPolarHBondContact OE2-CB 3.37Å; E475-R558 PolarHBondContact OE2-N 3.01Å; E475-Y559 HydrophobicContact CB-CD1 4.29Å; E475-Y559 HydrophobicContact CB-CD2 4.35Å; E475-Y559 HydrophobicContact CB-CE1 3.92Å; E475-Y559 HydrophobicContact CB-CE2 3.98Å; E475-Y559 HydrophobicContact CB-CG 4.48Å; E475-Y559 PolarHBondContact N-O 2.98Å; E475-Y559 WeakPolarHBondContact OE2-CD1 3.49Å; E475-Y559 VanDerWaalsContact OE2-CE1 3.26Å; E475-Y559 WeakPolarHBondContact OE2-CE1 3.4Å; E475-Y559 PolarHBondContact OE2-N 2.95Å
476	C	71.4	Confident	68.5	Low	46 Å²	46	68.9 Å²	68.9	31%	0.311	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	4	169.4	69.7	0	0	0	0	113.8	C474 Q478 H489	C474-C476 PolarHBondContact O-N 2.97Å; C476-Q478 PolarHBondContact O-N 3.06Å; C476-H489 PolarHBondContact SG-NE2 3.09Å
477	N	70.3	Confident	70.4	Confident	121 Å²	121	61.6 Å²	61.6	65%	0.647	33%	0.333	S	S	*	.			trans	61.6	14.4	-175.1	-58.6	-42.8	0	0	0	115.9	C474 E475	C474-N477 WeakPolarHBondContact O-CA 3.29Å; C474-N477 PolarHBondContact O-N 3.27Å; E475-N477 PolarHBondContact O-N 2.99Å
478	Q	73.3	Confident	72.4	Confident	101 Å²	101	61.1 Å²	61.1	47%	0.472	32%	0.317	S	S	.	.			trans	-74.7	135.7	170.1	-67.1	-174.4	8.4	0	0	111.1	F473 C474 C476 F480 H489	F473-Q478 WeakPolarHBondContact CA-O 3.32Å; C474-Q478 PolarHBondContact N-O 2.9Å; C476-Q478 PolarHBondContact O-N 3.06Å; Q478-F480 HydrophobicContact CB-CE2 3.55Å; Q478-F480 HydrophobicContact CB-CZ 3.65Å; Q478-F480 WeakPolarHBondContact O-CD2 3.31Å; Q478-F480 VanDerWaalsContact O-CE2 3.24Å; Q478-F480 WeakPolarHBondContact O-CE2 3.47Å; Q478-H489 PolarHBondContact OE1-CE1 3.02Å; Q478-H489 PolarHBondContact OE1-ND1 3.33Å
479	R	74.4	Confident	73.9	Confident	130 Å²	130	58.1 Å²	58.1	49%	0.491	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.7	-178.8	-178.6	-177.1	178.1	125.4	-5.3	110.7	T471 W472 F473 E565	T471-R479 HydrophobicContact CG2-CG 4.42Å; W472-R479 CarbonylContact O-C 3.51Å; W472-R479 WeakPolarHBondContact O-CA 3.43Å; F473-R479 HydrophobicContact CD1-CB 4.09Å; F473-R479 HydrophobicContact CE1-CB 3.69Å; F473-R479 HydrophobicContact CE1-CG 3.86Å; F473-R479 HydrophobicContact CZ-CB 4.28Å; F473-R479 HydrophobicContact CZ-CG 3.91Å; R479-E565 IonicContact CZ-OE1 3.38Å; R479-E565 IonicContact CZ-OE2 2.72Å; R479-E565 VanDerWaalsContact CZ-OE2 3.24Å; R479-E565 IonicContact NH1-OE1 2.91Å; R479-E565 PolarHBondContact NH1-OE1 3.3Å; R479-E565 IonicContact NH1-OE2 3.94Å; R479-E565 PolarHBondContact NH1-OE2 3.49Å; R479-E565 IonicContact NH2-OE1 3.53Å; R479-E565 IonicContact NH2-OE2 2.69Å; R479-E565 PolarHBondContact NH2-OE2 2.83Å
480	F	79.1	Confident	74.5	Confident	31 Å²	31	54.5 Å²	54.5	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.4	-179.1	-60.5	-83.1	0	0	0	111.3	W472 C474 Q478 S482 A485 V486 H489	W472-F480 HydrophobicContact CB-CB 4.24Å; W472-F480 PolarHBondContact N-O 2.88Å; W472-F480 PolarHBondContact O-N 2.92Å; C474-F480 HydrophobicContact CB-CE2 4.17Å; Q478-F480 HydrophobicContact CB-CE2 3.55Å; Q478-F480 HydrophobicContact CB-CZ 3.65Å; Q478-F480 WeakPolarHBondContact O-CD2 3.31Å; Q478-F480 VanDerWaalsContact O-CE2 3.24Å; Q478-F480 WeakPolarHBondContact O-CE2 3.47Å; F480-S482 VanDerWaalsContact C-N 3.34Å; F480-A485 HydrophobicContact CB-CB 4.17Å; F480-A485 HydrophobicContact CD1-CB 4.23Å; F480-V486 HydrophobicContact CB-CB 3.97Å; F480-V486 HydrophobicContact CD2-CB 3.62Å; F480-V486 HydrophobicContact CD2-CG2 3.53Å; F480-V486 HydrophobicContact CE2-CB 4.36Å; F480-V486 HydrophobicContact CE2-CG2 3.92Å; F480-V486 HydrophobicContact CG-CB 3.84Å; F480-V486 HydrophobicContact CG-CG2 4.28Å; F480-H489 HydrophobicContact CD1-CB 4.49Å; F480-H489 HydrophobicContact CE1-CB 3.67Å; F480-H489 AromaticContact CE1-CG 3.95Å; F480-H489 HydrophobicContact CE2-CB 4.11Å; F480-H489 AromaticContact CE2-CD2 3.89Å; F480-H489 AromaticContact CE2-CG 3.87Å; F480-H489 HydrophobicContact CZ-CB 3.46Å; F480-H489 VanDerWaalsContact CZ-CB 3.46Å; F480-H489 AromaticContact CZ-CD2 3.72Å; F480-H489 AromaticContact CZ-CG 3.25Å; F480-H489 AromaticContact CZ-ND1 3.53Å
481	P	70.9	Confident	74.5	Confident	109 Å²	109	50.3 Å²	50.3	71%	0.708	26%	0.258	S	S	*	.	S	Bend	trans	-80.5	-10.8	-179	33.3	-36.6	0	0	0	113.8
482	S	77.1	Confident	74.3	Confident	46 Å²	46	53.8 Å²	53.8	32%	0.322	28%	0.282	S	S	.	.	S	Bend	trans	-154.7	161.1	-177.2	68.1	0	0	0	0	113	F480 A485 V486	F480-S482 VanDerWaalsContact C-N 3.34Å; S482-A485 PolarHBondContact O-N 3.27Å; S482-A485 WeakPolarHBondContact OG-CB 3.43Å; S482-A485 PolarHBondContact OG-N 2.83Å; S482-V486 PolarHBondContact O-N 2.87Å
483	E	75.8	Confident	73.6	Confident	63 Å²	63	54.9 Å²	54.9	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-41.2	176.6	-167.5	159	-161.2	0	0	112.2	W472 A485 V486 E487 F560	W472-E483 HydrophobicContact CD2-CB 4.14Å; W472-E483 HydrophobicContact CE3-CB 4.08Å; W472-E483 HydrophobicContact CE3-CG 4.12Å; W472-E483 HydrophobicContact CH2-CB 3.64Å; W472-E483 HydrophobicContact CH2-CG 3.74Å; W472-E483 WeakPolarHBondContact CH2-OE2 3.32Å; W472-E483 HydrophobicContact CZ2-CB 3.77Å; W472-E483 HydrophobicContact CZ2-CG 4.39Å; W472-E483 HydrophobicContact CZ3-CB 3.82Å; W472-E483 VanDerWaalsContact CZ3-CD 3.43Å; W472-E483 HydrophobicContact CZ3-CG 3.6Å; E483-A485 VanDerWaalsContact C-N 3.32Å; E483-A485 PolarHBondContact O-N 2.79Å; E483-V486 VanDerWaalsContact O-CG1 3.27Å; E483-V486 WeakPolarHBondContact O-CG1 3.38Å; E483-V486 PolarHBondContact O-N 2.98Å; E483-E487 WeakPolarHBondContact O-CB 3.39Å; E483-E487 PolarHBondContact O-N 3.29Å; E483-F560 HydrophobicContact CG-CE2 3.9Å; E483-F560 HydrophobicContact CG-CZ 4.09Å
484	D	73.7	Confident	73.5	Confident	94 Å²	94	53.9 Å²	53.9	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-36.8	175.8	177.2	81.7	0	0	0	112.3	K488	D484-K488 VanDerWaalsContact CG-NZ 3.34Å; D484-K488 WeakPolarHBondContact O-CB 3.42Å; D484-K488 WeakPolarHBondContact O-CG 3.46Å; D484-K488 PolarHBondContact O-N 3.36Å; D484-K488 IonicContact OD1-NZ 2.79Å; D484-K488 PolarHBondContact OD1-NZ 3.49Å; D484-K488 WeakPolarHBondContact OD2-CE 3.33Å; D484-K488 IonicContact OD2-NZ 2.63Å; D484-K488 PolarHBondContact OD2-NZ 3.21Å
485	A	74	Confident	73	Confident	28 Å²	28	56.4 Å²	56.4	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-69.8	-41.5	177.5	0	0	0	0	0	112.5	F480 S482 E483 H489	F480-A485 HydrophobicContact CB-CB 4.17Å; F480-A485 HydrophobicContact CD1-CB 4.23Å; S482-A485 PolarHBondContact O-N 3.27Å; S482-A485 WeakPolarHBondContact OG-CB 3.43Å; S482-A485 PolarHBondContact OG-N 2.83Å; E483-A485 VanDerWaalsContact C-N 3.32Å; E483-A485 PolarHBondContact O-N 2.79Å; A485-H489 WeakPolarHBondContact O-CB 3.09Å; A485-H489 PolarHBondContact O-N 3.14Å
486	V	73	Confident	73	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72.1	-32.5	175.3	69.4	0	0	0	0	112.1	W472 C474 F480 S482 E483 H489 V490 F560	W472-V486 HydrophobicContact CB-CB 4.3Å; W472-V486 HydrophobicContact CB-CG1 3.99Å; W472-V486 HydrophobicContact CE3-CG1 4.3Å; C474-V486 HydrophobicContact CB-CG2 3.77Å; F480-V486 HydrophobicContact CB-CB 3.97Å; F480-V486 HydrophobicContact CD2-CB 3.62Å; F480-V486 HydrophobicContact CD2-CG2 3.53Å; F480-V486 HydrophobicContact CE2-CB 4.36Å; F480-V486 HydrophobicContact CE2-CG2 3.92Å; F480-V486 HydrophobicContact CG-CB 3.84Å; F480-V486 HydrophobicContact CG-CG2 4.28Å; S482-V486 PolarHBondContact O-N 2.87Å; E483-V486 VanDerWaalsContact O-CG1 3.27Å; E483-V486 WeakPolarHBondContact O-CG1 3.38Å; E483-V486 PolarHBondContact O-N 2.98Å; V486-H489 WeakPolarHBondContact O-CB 3.33Å; V486-H489 PolarHBondContact O-N 3.31Å; V486-V490 WeakPolarHBondContact O-CG2 3.43Å; V486-V490 PolarHBondContact O-N 3.11Å; V486-F560 HydrophobicContact CG1-CB 4.18Å; V486-F560 HydrophobicContact CG1-CD1 4.06Å; V486-F560 HydrophobicContact CG1-CD2 3.78Å; V486-F560 HydrophobicContact CG1-CE1 4.33Å; V486-F560 HydrophobicContact CG1-CE2 4.08Å; V486-F560 HydrophobicContact CG1-CG 3.77Å; V486-F560 HydrophobicContact CG1-CZ 4.34Å; V486-F560 HydrophobicContact CG2-CB 3.62Å; V486-F560 HydrophobicContact CG2-CD1 4.27Å; V486-F560 HydrophobicContact CG2-CG 4.02Å
487	E	73.8	Confident	73.3	Confident	44 Å²	44	52 Å²	52	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-44.6	173.8	-177	156	130.3	0	0	111.8	S425 E483 H489 V490 F491 K543 F560	S425-E487 WeakPolarHBondContact CB-OE2 3.3Å; S425-E487 PolarHBondContact OG-OE2 2.94Å; E483-E487 WeakPolarHBondContact O-CB 3.39Å; E483-E487 PolarHBondContact O-N 3.29Å; E487-H489 VanDerWaalsContact C-N 3.28Å; E487-H489 PolarHBondContact O-N 3.02Å; E487-V490 PolarHBondContact O-N 3.34Å; E487-V490 VanDerWaalsContact O-N 3.09Å; E487-F491 HydrophobicContact CG-CD2 3.88Å; E487-F491 HydrophobicContact CG-CE2 3.88Å; E487-F491 WeakPolarHBondContact O-CD2 3.28Å; E487-F491 PolarHBondContact O-N 3.42Å; E487-K543 IonicContact OE1-NZ 2.7Å; E487-K543 PolarHBondContact OE1-NZ 2.55Å; E487-K543 IonicContact OE2-NZ 3.5Å; E487-K543 PolarHBondContact OE2-NZ 2.98Å; E487-F560 HydrophobicContact CB-CE1 4.33Å
488	K	75	Confident	73.8	Confident	100 Å²	100	47.1 Å²	47.1	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-36.6	172.6	-78.6	168.5	176.3	156.8	0	112.4	D484 S492	D484-K488 VanDerWaalsContact CG-NZ 3.34Å; D484-K488 WeakPolarHBondContact O-CB 3.42Å; D484-K488 WeakPolarHBondContact O-CG 3.46Å; D484-K488 PolarHBondContact O-N 3.36Å; D484-K488 IonicContact OD1-NZ 2.79Å; D484-K488 PolarHBondContact OD1-NZ 3.49Å; D484-K488 WeakPolarHBondContact OD2-CE 3.33Å; D484-K488 IonicContact OD2-NZ 2.63Å; D484-K488 PolarHBondContact OD2-NZ 3.21Å; K488-S492 WeakPolarHBondContact O-CB 3.44Å; K488-S492 PolarHBondContact O-N 3.4Å; K488-S492 PolarHBondContact O-OG 3.46Å
489	H	75.8	Confident	74.1	Confident	27 Å²	27	43.5 Å²	43.5	13%	0.125	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-47.1	170.3	169.4	79.8	0	0	0	112.2	C476 Q478 F480 A485 V486 E487 F491 S492 A493 H557	C476-H489 PolarHBondContact SG-NE2 3.09Å; Q478-H489 PolarHBondContact OE1-CE1 3.02Å; Q478-H489 PolarHBondContact OE1-ND1 3.33Å; F480-H489 HydrophobicContact CD1-CB 4.49Å; F480-H489 HydrophobicContact CE1-CB 3.67Å; F480-H489 AromaticContact CE1-CG 3.95Å; F480-H489 HydrophobicContact CE2-CB 4.11Å; F480-H489 AromaticContact CE2-CD2 3.89Å; F480-H489 AromaticContact CE2-CG 3.87Å; F480-H489 HydrophobicContact CZ-CB 3.46Å; F480-H489 VanDerWaalsContact CZ-CB 3.46Å; F480-H489 AromaticContact CZ-CD2 3.72Å; F480-H489 AromaticContact CZ-CG 3.25Å; F480-H489 AromaticContact CZ-ND1 3.53Å; A485-H489 WeakPolarHBondContact O-CB 3.09Å; A485-H489 PolarHBondContact O-N 3.14Å; V486-H489 WeakPolarHBondContact O-CB 3.33Å; V486-H489 PolarHBondContact O-N 3.31Å; E487-H489 VanDerWaalsContact C-N 3.28Å; E487-H489 PolarHBondContact O-N 3.02Å; H489-F491 PolarHBondContact O-N 3.02Å; H489-S492 PolarHBondContact O-N 3.47Å; H489-S492 PolarHBondContact O-OG 3.08Å; H489-A493 WeakPolarHBondContact O-CB 3.46Å; H489-A493 PolarHBondContact O-N 3.48Å; H489-H557 AromaticContact CD2-ND1 3.82Å; H489-H557 AromaticContact CE1-CE1 3.76Å; H489-H557 AromaticContact CE1-ND1 3.96Å; H489-H557 AromaticContact NE2-CE1 3.24Å; H489-H557 PolarHBondContact NE2-CE1 2.95Å; H489-H557 AromaticContact NE2-ND1 3.09Å; H489-H557 PolarHBondContact NE2-ND1 2.85Å
490	V	74.1	Confident	74.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-43.2	178.7	170.8	0	0	0	0	111.6	L427 V486 E487 N494 M547 H557 F560	L427-V490 HydrophobicContact CD1-CG1 4.16Å; V486-V490 WeakPolarHBondContact O-CG2 3.43Å; V486-V490 PolarHBondContact O-N 3.11Å; E487-V490 PolarHBondContact O-N 3.34Å; E487-V490 VanDerWaalsContact O-N 3.09Å; V490-N494 WeakPolarHBondContact CG1-ND2 3.44Å; V490-N494 WeakPolarHBondContact O-CB 3.37Å; V490-N494 PolarHBondContact O-N 3.04Å; V490-N494 PolarHBondContact O-ND2 3.37Å; V490-M547 HydrophobicContact CG1-CE 4.13Å; V490-M547 HydrophobicContact CG1-SD 4.31Å; V490-H557 HydrophobicContact CG1-CB 4.45Å; V490-H557 HydrophobicContact CG2-CB 4.36Å; V490-F560 HydrophobicContact CG2-CD1 4.25Å
491	F	72.6	Confident	74	Confident	10 Å²	10	39.2 Å²	39.2	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-46.9	176.9	-90.4	-108	0	0	0	112.5	E487 H489 N494 T495 M496 Y498 F531 K543	E487-F491 HydrophobicContact CG-CD2 3.88Å; E487-F491 HydrophobicContact CG-CE2 3.88Å; E487-F491 WeakPolarHBondContact O-CD2 3.28Å; E487-F491 PolarHBondContact O-N 3.42Å; H489-F491 PolarHBondContact O-N 3.02Å; F491-N494 CarbonylContact O-C 3.39Å; F491-N494 PolarHBondContact O-N 2.85Å; F491-T495 PolarHBondContact O-N 2.72Å; F491-M496 HydrophobicContact CD1-CB 3.68Å; F491-M496 HydrophobicContact CD1-SD 4.28Å; F491-M496 HydrophobicContact CE1-CB 4.27Å; F491-M496 HydrophobicContact CE1-SD 4.37Å; F491-M496 HydrophobicContact CG-CB 4.33Å; F491-M496 PolarHBondContact O-N 2.77Å; F491-Y498 HydrophobicContact CD1-CE2 4.47Å; F491-Y498 HydrophobicContact CE1-CE1 4.3Å; F491-Y498 HydrophobicContact CE1-CE2 4.49Å; F491-Y498 AromaticContact CE1-CZ 3.78Å; F491-Y498 WeakPolarHBondContact CE1-OH 3.17Å; F491-F531 HydrophobicContact CE1-CD1 4.17Å; F491-F531 HydrophobicContact CE1-CE1 4.16Å; F491-F531 HydrophobicContact CZ-CE1 4.24Å; F491-K543 HydrophobicContact CZ-CD 4.24Å; F491-K543 HydrophobicContact CZ-CG 4.23Å
492	S	69.3	Low	73.8	Confident	80 Å²	80	38.1 Å²	38.1	56%	0.559	22%	0.219	S	C	*	.	H	α-helix	trans	-69.8	-42.4	-179.3	53.8	0	0	0	0	112.9	K488 H489 N494 T495	K488-S492 WeakPolarHBondContact O-CB 3.44Å; K488-S492 PolarHBondContact O-N 3.4Å; K488-S492 PolarHBondContact O-OG 3.46Å; H489-S492 PolarHBondContact O-N 3.47Å; H489-S492 PolarHBondContact O-OG 3.08Å; S492-N494 VanDerWaalsContact C-N 3.26Å; S492-N494 PolarHBondContact O-N 3.26Å; S492-T495 PolarHBondContact O-N 2.87Å
493	A	67.1	Low	73.1	Confident	45 Å²	45	38.9 Å²	38.9	37%	0.372	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-33.9	173.7	0	0	0	0	0	112.4	H489 T495	H489-A493 WeakPolarHBondContact O-CB 3.46Å; H489-A493 PolarHBondContact O-N 3.48Å; A493-T495 VanDerWaalsContact C-N 3.32Å
494	N	67.6	Low	72.7	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.027	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.2	174.8	-73.6	-18.5	0	0	0	114.2	V490 F491 S492 M496 V550 G556 H557	V490-N494 WeakPolarHBondContact CG1-ND2 3.44Å; V490-N494 WeakPolarHBondContact O-CB 3.37Å; V490-N494 PolarHBondContact O-N 3.04Å; V490-N494 PolarHBondContact O-ND2 3.37Å; F491-N494 CarbonylContact O-C 3.39Å; F491-N494 PolarHBondContact O-N 2.85Å; S492-N494 VanDerWaalsContact C-N 3.26Å; S492-N494 PolarHBondContact O-N 3.26Å; N494-M496 VanDerWaalsContact C-N 3.26Å; N494-M496 HydrophobicContact CB-CE 3.82Å; N494-M496 HydrophobicContact CB-CG 3.84Å; N494-M496 HydrophobicContact CB-SD 4.08Å; N494-M496 PolarHBondContact O-N 3.06Å; N494-V550 HydrophobicContact CB-CG1 3.95Å; N494-G556 VanDerWaalsContact OD1-C 3.26Å; N494-G556 WeakPolarHBondContact OD1-CA 3.37Å; N494-H557 PolarHBondContact ND2-O 3.2Å; N494-H557 PolarHBondContact OD1-N 2.94Å
495	T	68.9	Low	72.5	Confident	54 Å²	54	37.1 Å²	37.1	33%	0.331	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	41.7	-174.1	70.4	0	0	0	0	113.3	F491 S492 A493 R534 T535	F491-T495 PolarHBondContact O-N 2.72Å; S492-T495 PolarHBondContact O-N 2.87Å; A493-T495 VanDerWaalsContact C-N 3.32Å; T495-R534 WeakPolarHBondContact O-CB 3.39Å; T495-R534 PolarHBondContact O-N 3.15Å; T495-R534 VanDerWaalsContact O-N 3.07Å; T495-T535 PolarHBondContact OG1-OG1 2.77Å; T495-T535 VanDerWaalsContact OG1-OG1 3.1Å
496	M	75.6	Confident	72.4	Confident	5 Å²	5	36 Å²	36	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.9	174.5	-64.6	177.4	178.4	0	0	110.5	F491 N494 I546 M547 V550	F491-M496 HydrophobicContact CD1-CB 3.68Å; F491-M496 HydrophobicContact CD1-SD 4.28Å; F491-M496 HydrophobicContact CE1-CB 4.27Å; F491-M496 HydrophobicContact CE1-SD 4.37Å; F491-M496 HydrophobicContact CG-CB 4.33Å; F491-M496 PolarHBondContact O-N 2.77Å; N494-M496 VanDerWaalsContact C-N 3.26Å; N494-M496 HydrophobicContact CB-CE 3.82Å; N494-M496 HydrophobicContact CB-CG 3.84Å; N494-M496 HydrophobicContact CB-SD 4.08Å; N494-M496 PolarHBondContact O-N 3.06Å; M496-I546 HydrophobicContact CE-CG1 4.01Å; M496-I546 HydrophobicContact CG-CG1 3.99Å; M496-I546 HydrophobicContact SD-CG1 3.98Å; M496-I546 HydrophobicContact SD-CG2 4.23Å; M496-M547 HydrophobicContact CE-CE 4.18Å; M496-M547 HydrophobicContact CE-CG 4.36Å; M496-M547 HydrophobicContact CE-SD 3.54Å; M496-M547 VanDerWaalsContact CE-SD 3.54Å; M496-M547 HydrophobicContact SD-SD 3.88Å; M496-V550 HydrophobicContact CE-CB 3.52Å; M496-V550 HydrophobicContact CE-CG1 3.97Å; M496-V550 HydrophobicContact CE-CG2 3.44Å; M496-V550 VanDerWaalsContact CE-CG2 3.44Å; M496-V550 HydrophobicContact CG-CG2 4.44Å
497	G	78.7	Confident	72.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	176.8	173.8	0	0	0	0	0	112.9	W532	G497-W532 PolarHBondContact N-O 3.41Å; G497-W532 PolarHBondContact O-N 3.13Å
498	Y	81	Confident	71.9	Confident	18 Å²	18	39 Å²	39	7%	0.071	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.4	178.5	-56.4	-84.7	0	0	0	109.7	F491 V506 C507 I513 F529 F531	F491-Y498 HydrophobicContact CD1-CE2 4.47Å; F491-Y498 HydrophobicContact CE1-CE1 4.3Å; F491-Y498 HydrophobicContact CE1-CE2 4.49Å; F491-Y498 AromaticContact CE1-CZ 3.78Å; F491-Y498 WeakPolarHBondContact CE1-OH 3.17Å; Y498-V506 VanDerWaalsContact O-CA 3.3Å; Y498-V506 WeakPolarHBondContact O-CA 3.36Å; Y498-C507 PolarHBondContact N-O 2.83Å; Y498-C507 PolarHBondContact O-N 3.41Å; Y498-I513 HydrophobicContact CD1-CG2 4.38Å; Y498-I513 HydrophobicContact CG-CG2 4.12Å; Y498-F529 AromaticContact CD1-CD2 3.63Å; Y498-F529 HydrophobicContact CD1-CD2 3.63Å; Y498-F529 AromaticContact CD1-CE2 3.49Å; Y498-F529 HydrophobicContact CD1-CE2 3.49Å; Y498-F529 VanDerWaalsContact CD1-CE2 3.49Å; Y498-F529 HydrophobicContact CD1-CG 4.48Å; Y498-F529 HydrophobicContact CD1-CZ 4.23Å; Y498-F529 HydrophobicContact CE1-CD2 4.45Å; Y498-F529 AromaticContact CE1-CE2 3.88Å; Y498-F529 HydrophobicContact CE1-CE2 3.88Å; Y498-F529 HydrophobicContact CE1-CZ 4.46Å; Y498-F529 HydrophobicContact CG-CD2 4.49Å; Y498-F531 HydrophobicContact CD1-CD1 4.42Å; Y498-F531 HydrophobicContact CD1-CE1 4.31Å; Y498-F531 HydrophobicContact CE1-CD1 4.07Å; Y498-F531 AromaticContact CE1-CE1 3.66Å; Y498-F531 HydrophobicContact CE1-CE1 3.66Å; Y498-F531 HydrophobicContact CE1-CZ 4.36Å
499	K	78	Confident	71.7	Confident	24 Å²	24	37 Å²	37	10%	0.104	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.8	179.8	-175.8	168.6	177.6	-177.5	0	111.2	V501 G504 K505 V506 F529 F530 W532 E539 E708	K499-V501 PolarHBondContact O-N 3.42Å; K499-G504 WeakPolarHBondContact CE-O 3.33Å; K499-K505 WeakPolarHBondContact CA-O 3.49Å; K499-V506 HydrophobicContact CB-CG2 4.07Å; K499-V506 HydrophobicContact CD-CG2 4.09Å; K499-V506 HydrophobicContact CG-CG2 3.9Å; K499-F529 CarbonylContact O-C 3.51Å; K499-F529 WeakPolarHBondContact O-CA 3.19Å; K499-F529 WeakPolarHBondContact O-CB 3.41Å; K499-F530 PolarHBondContact N-O 3.06Å; K499-F530 PolarHBondContact O-N 2.9Å; K499-W532 HydrophobicContact CB-CB 4.14Å; K499-E539 HydrophobicContact CD-CG 4.46Å; K499-E539 WeakPolarHBondContact CD-OE1 3.3Å; K499-E539 WeakPolarHBondContact CE-OE1 3.48Å; K499-E539 IonicContact NZ-OE1 3.69Å; K499-E539 PolarHBondContact NZ-OE1 3.26Å; K499-E708 IonicContact NZ-OE1 3.73Å; K499-E708 PolarHBondContact NZ-OE1 2.95Å
500	C	77.5	Confident	71.1	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	126.4	176.6	174.5	0	0	0	0	111	V502 C503 G504 K505 I513 M517	C500-V502 VanDerWaalsContact C-N 3.27Å; C500-V502 PolarHBondContact O-N 2.72Å; C500-V502 PolarHBondContact SG-N 3.14Å; C500-C503 PolarHBondContact SG-N 2.93Å; C500-C503 VanDerWaalsContact SG-SG 3.61Å; C500-G504 VanDerWaalsContact O-CA 3.25Å; C500-G504 WeakPolarHBondContact O-CA 3.3Å; C500-G504 PolarHBondContact O-N 2.95Å; C500-K505 HydrophobicContact CB-CB 4.44Å; C500-K505 WeakPolarHBondContact CB-O 3.22Å; C500-K505 PolarHBondContact N-O 3.04Å; C500-I513 HydrophobicContact CB-CD1 4.18Å; C500-M517 HydrophobicContact CB-CE 3.68Å; C500-M517 WeakPolarHBondContact SG-CE 3.3Å
501	V	74	Confident	70.7	Confident	69 Å²	69	38.7 Å²	38.7	42%	0.418	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.9	176.3	176.8	0	0	0	0	111.8	K499 N528 F530	K499-V501 PolarHBondContact O-N 3.42Å; V501-N528 WeakPolarHBondContact CB-O 3.26Å; V501-N528 VanDerWaalsContact CG2-O 3.31Å; V501-N528 WeakPolarHBondContact CG2-O 3.33Å; V501-N528 PolarHBondContact N-O 3.1Å; V501-F530 HydrophobicContact CG1-CE2 4.43Å; V501-F530 HydrophobicContact CG1-CZ 4.25Å; V501-F530 HydrophobicContact CG2-CD1 4.01Å; V501-F530 HydrophobicContact CG2-CD2 3.99Å; V501-F530 HydrophobicContact CG2-CE1 3.87Å; V501-F530 HydrophobicContact CG2-CE2 3.86Å; V501-F530 HydrophobicContact CG2-CG 4.06Å; V501-F530 HydrophobicContact CG2-CZ 3.8Å
502	V	67.1	Low	70.4	Confident	87 Å²	87	40.7 Å²	40.7	53%	0.527	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-31.7	-169	-168.7	0	0	0	0	113.3	C500 H521	C500-V502 VanDerWaalsContact C-N 3.27Å; C500-V502 PolarHBondContact O-N 2.72Å; C500-V502 PolarHBondContact SG-N 3.14Å; V502-H521 WeakPolarHBondContact CG1-ND1 3.48Å
503	C	62.4	Low	70.3	Confident	62 Å²	62	36.9 Å²	36.9	42%	0.419	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.5	9.1	178.8	74.9	0	0	0	0	115.1	C500 K505 H516	C500-C503 PolarHBondContact SG-N 2.93Å; C500-C503 VanDerWaalsContact SG-SG 3.61Å; C503-K505 PolarHBondContact O-N 3.02Å; C503-H516 PolarHBondContact SG-CE1 2.75Å; C503-H516 PolarHBondContact SG-NE2 2.85Å
504	G	67.6	Low	70.2	Confident	31 Å²	31	40 Å²	40	32%	0.32	23%	0.23	S	C	.	.			trans	72.4	-5.1	171.2	0	0	0	0	0	117	K499 C500	K499-G504 WeakPolarHBondContact CE-O 3.33Å; C500-G504 VanDerWaalsContact O-CA 3.25Å; C500-G504 WeakPolarHBondContact O-CA 3.3Å; C500-G504 PolarHBondContact O-N 2.95Å
505	K	69.9	Low	69.9	Low	88 Å²	88	42.1 Å²	42.1	38%	0.383	24%	0.241	S	C	.	.			trans	-55.9	141.9	175.3	-77.8	-178.9	167.6	-170.7	0	112	K499 C500 C503 I705	K499-K505 WeakPolarHBondContact CA-O 3.49Å; C500-K505 HydrophobicContact CB-CB 4.44Å; C500-K505 WeakPolarHBondContact CB-O 3.22Å; C500-K505 PolarHBondContact N-O 3.04Å; C503-K505 PolarHBondContact O-N 3.02Å; K505-I705 HydrophobicContact CB-CG2 4.28Å; K505-I705 HydrophobicContact CD-CG2 3.86Å; K505-I705 HydrophobicContact CG-CG2 4.07Å
506	V	71.3	Confident	69.8	Low	4 Å²	4	40.1 Å²	40.1	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.3	-179.4	-175.9	0	0	0	0	110.7	Y498 K499 W532	Y498-V506 VanDerWaalsContact O-CA 3.3Å; Y498-V506 WeakPolarHBondContact O-CA 3.36Å; K499-V506 HydrophobicContact CB-CG2 4.07Å; K499-V506 HydrophobicContact CD-CG2 4.09Å; K499-V506 HydrophobicContact CG-CG2 3.9Å; V506-W532 HydrophobicContact CG1-CD2 4.36Å; V506-W532 HydrophobicContact CG1-CE3 3.7Å; V506-W532 HydrophobicContact CG1-CZ3 3.81Å
507	C	72.1	Confident	69.2	Low	11 Å²	11	40 Å²	40	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.9	166.3	63.4	0	0	0	0	111.8	Y498 V512 I513	Y498-C507 PolarHBondContact N-O 2.83Å; Y498-C507 PolarHBondContact O-N 3.41Å; C507-V512 HydrophobicContact CB-CB 4.48Å; C507-V512 HydrophobicContact CB-CG1 4.03Å; C507-I513 PolarHBondContact SG-N 3.16Å
508	D	65.7	Low	68.2	Low	97 Å²	97	42.4 Å²	42.4	52%	0.519	24%	0.244	S	C	.	.	S	Bend	trans	-89.4	-7.9	-173.5	-59.8	-37.7	0	0	0	113.6
509	D	70.6	Confident	66.9	Low	57 Å²	57	45.1 Å²	45.1	31%	0.305	25%	0.254	S	S	.	.			trans	-118.9	135.5	-175.8	-176.2	-82.6	0	0	0	113.5	G511 V512 I513	D509-G511 VanDerWaalsContact OD1-CA 3.24Å; D509-G511 WeakPolarHBondContact OD1-CA 3.46Å; D509-G511 PolarHBondContact OD1-N 2.94Å; D509-V512 HydrophobicContact CB-CB 4.33Å; D509-V512 HydrophobicContact CB-CG2 3.97Å; D509-V512 PolarHBondContact O-N 3.12Å; D509-V512 PolarHBondContact OD1-N 3.15Å; D509-I513 PolarHBondContact O-N 2.92Å; D509-I513 VanDerWaalsContact O-N 3.14Å
510	S	63.1	Low	65.9	Low	36 Å²	36	48.8 Å²	48.8	25%	0.252	27%	0.274	S	S	.	.	H	α-helix	trans	-72.6	-26.5	-176.5	-176.1	0	0	0	0	113.8	R514	S510-R514 WeakPolarHBondContact O-CG 3.39Å; S510-R514 PolarHBondContact O-N 3.17Å; S510-R514 PolarHBondContact O-NE 3.42Å
511	G	64.6	Low	64.9	Low	27 Å²	27	51.5 Å²	51.5	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-50.3	167.6	0	0	0	0	0	110.7	D509 I513 R514 L515	D509-G511 VanDerWaalsContact OD1-CA 3.24Å; D509-G511 WeakPolarHBondContact OD1-CA 3.46Å; D509-G511 PolarHBondContact OD1-N 2.94Å; G511-I513 PolarHBondContact O-N 3.39Å; G511-R514 PolarHBondContact O-N 2.92Å; G511-L515 VanDerWaalsContact O-CB 3.26Å; G511-L515 WeakPolarHBondContact O-CB 3.46Å; G511-L515 PolarHBondContact O-N 3.01Å
512	V	66.6	Low	64	Low	52 Å²	52	51.3 Å²	51.3	32%	0.315	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-41.9	-177.9	-179.2	0	0	0	0	112.2	C507 D509 L515 H516	C507-V512 HydrophobicContact CB-CB 4.48Å; C507-V512 HydrophobicContact CB-CG1 4.03Å; D509-V512 HydrophobicContact CB-CB 4.33Å; D509-V512 HydrophobicContact CB-CG2 3.97Å; D509-V512 PolarHBondContact O-N 3.12Å; D509-V512 PolarHBondContact OD1-N 3.15Å; V512-L515 WeakPolarHBondContact O-CB 3.28Å; V512-L515 PolarHBondContact O-N 3.4Å; V512-H516 WeakPolarHBondContact O-CB 3.4Å; V512-H516 PolarHBondContact O-N 3.13Å
513	I	67.4	Low	63.3	Low	1 Å²	1	48.4 Å²	48.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-39.1	178.4	-159.6	70.3	0	0	0	112.5	Y498 C500 C507 D509 G511 H516 M517 F529	Y498-I513 HydrophobicContact CD1-CG2 4.38Å; Y498-I513 HydrophobicContact CG-CG2 4.12Å; C500-I513 HydrophobicContact CB-CD1 4.18Å; C507-I513 PolarHBondContact SG-N 3.16Å; D509-I513 PolarHBondContact O-N 2.92Å; D509-I513 VanDerWaalsContact O-N 3.14Å; G511-I513 PolarHBondContact O-N 3.39Å; I513-H516 WeakPolarHBondContact O-CB 3.27Å; I513-H516 PolarHBondContact O-N 2.95Å; I513-M517 HydrophobicContact CD1-CE 4.23Å; I513-M517 HydrophobicContact CG1-CE 4.3Å; I513-M517 WeakPolarHBondContact O-CG 3.49Å; I513-M517 PolarHBondContact O-N 2.88Å; I513-F529 HydrophobicContact CB-CD1 4.4Å; I513-F529 HydrophobicContact CG1-CB 3.71Å; I513-F529 HydrophobicContact CG1-CD1 4Å; I513-F529 HydrophobicContact CG1-CG 4.01Å; I513-F529 HydrophobicContact CG2-CD1 3.47Å; I513-F529 VanDerWaalsContact CG2-CD1 3.47Å; I513-F529 HydrophobicContact CG2-CD2 4.5Å; I513-F529 HydrophobicContact CG2-CE1 3.63Å; I513-F529 HydrophobicContact CG2-CG 3.94Å; I513-F529 HydrophobicContact CG2-CZ 4.23Å
514	R	64.6	Low	62.5	Low	111 Å²	111	49.2 Å²	49.2	42%	0.419	30%	0.297	S	S	.	.	H	α-helix	trans	-69.1	-36.7	178	-71.8	179	-67.8	152.2	6.4	111.7	S510 G511 M517 S518 L526 F529	S510-R514 WeakPolarHBondContact O-CG 3.39Å; S510-R514 PolarHBondContact O-N 3.17Å; S510-R514 PolarHBondContact O-NE 3.42Å; G511-R514 PolarHBondContact O-N 2.92Å; R514-M517 WeakPolarHBondContact O-CB 3.35Å; R514-M517 PolarHBondContact O-N 3.2Å; R514-S518 PolarHBondContact O-N 3.47Å; R514-L526 HydrophobicContact CB-CB 4.48Å; R514-L526 HydrophobicContact CG-CB 4.3Å; R514-L526 WeakPolarHBondContact CG-O 3.47Å; R514-F529 HydrophobicContact CG-CE1 4.06Å
515	L	62.1	Low	61.9	Low	48 Å²	48	53.6 Å²	53.6	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-40.5	173.6	-166.1	71	0	0	0	112.1	G511 V512 S518 R519 R609	G511-L515 VanDerWaalsContact O-CB 3.26Å; G511-L515 WeakPolarHBondContact O-CB 3.46Å; G511-L515 PolarHBondContact O-N 3.01Å; V512-L515 WeakPolarHBondContact O-CB 3.28Å; V512-L515 PolarHBondContact O-N 3.4Å; L515-S518 PolarHBondContact O-N 3.39Å; L515-S518 PolarHBondContact O-OG 3.04Å; L515-R519 VanDerWaalsContact CD1-NH2 3.29Å; L515-R519 PolarHBondContact O-N 3.27Å; L515-R519 VanDerWaalsContact O-N 3.08Å; L515-R609 WeakPolarHBondContact CD2-O 3.36Å
516	H	66.4	Low	61.2	Low	12 Å²	12	52.3 Å²	52.3	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-40.4	170.6	169.1	20.1	0	0	0	111.4	C503 V512 I513 I520 H521	C503-H516 PolarHBondContact SG-CE1 2.75Å; C503-H516 PolarHBondContact SG-NE2 2.85Å; V512-H516 WeakPolarHBondContact O-CB 3.4Å; V512-H516 PolarHBondContact O-N 3.13Å; I513-H516 WeakPolarHBondContact O-CB 3.27Å; I513-H516 PolarHBondContact O-N 2.95Å; H516-I520 WeakPolarHBondContact ND1-CG1 3.36Å; H516-I520 WeakPolarHBondContact O-CB 3.49Å; H516-I520 PolarHBondContact O-N 3.47Å; H516-H521 AromaticContact CE1-CD2 3.87Å; H516-H521 AromaticContact CE1-NE2 3.42Å; H516-H521 PolarHBondContact CE1-NE2 3.46Å
517	M	62.3	Low	60.8	Low	4 Å²	4	57.6 Å²	57.6	2%	0.02	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-37.7	175.2	-66.5	-44.3	97.4	0	0	112.2	C500 I513 R514 H521 G522 G523 L526	C500-M517 HydrophobicContact CB-CE 3.68Å; C500-M517 WeakPolarHBondContact SG-CE 3.3Å; I513-M517 HydrophobicContact CD1-CE 4.23Å; I513-M517 HydrophobicContact CG1-CE 4.3Å; I513-M517 WeakPolarHBondContact O-CG 3.49Å; I513-M517 PolarHBondContact O-N 2.88Å; R514-M517 WeakPolarHBondContact O-CB 3.35Å; R514-M517 PolarHBondContact O-N 3.2Å; M517-H521 CarbonylContact O-C 3.58Å; M517-H521 PolarHBondContact O-N 3.45Å; M517-G522 PolarHBondContact O-N 2.92Å; M517-G523 PolarHBondContact O-N 3.26Å; M517-G523 VanDerWaalsContact O-N 3.09Å; M517-L526 HydrophobicContact CB-CD2 4.29Å; M517-L526 WeakPolarHBondContact CG-O 3.15Å
518	S	57.4	Low	60.5	Low	50 Å²	50	60.6 Å²	60.6	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-69	-46.7	179.3	69	0	0	0	0	112.5	R514 L515 G522 G523	R514-S518 PolarHBondContact O-N 3.47Å; L515-S518 PolarHBondContact O-N 3.39Å; L515-S518 PolarHBondContact O-OG 3.04Å; S518-G522 PolarHBondContact O-N 2.94Å; S518-G523 PolarHBondContact O-N 2.82Å
519	R	53.8	Low	61	Low	74 Å²	74	57 Å²	57	28%	0.279	33%	0.329	S	S	.	.	H	α-helix	trans	-73.5	-50.2	-179.8	-67.3	-168.4	-174.9	104.3	26.3	114.2	L515 R609 I610 E612	L515-R519 VanDerWaalsContact CD1-NH2 3.29Å; L515-R519 PolarHBondContact O-N 3.27Å; L515-R519 VanDerWaalsContact O-N 3.08Å; R519-R609 PolarHBondContact NH2-O 3.27Å; R519-I610 VanDerWaalsContact CZ-O 3.32Å; R519-I610 PolarHBondContact NE-O 3.42Å; R519-I610 PolarHBondContact NH2-O 2.75Å; R519-E612 IonicContact CZ-OE1 3.79Å; R519-E612 IonicContact NH1-OE1 3.37Å; R519-E612 PolarHBondContact NH1-OE1 2.88Å
520	I	57.9	Low	61.4	Low	101 Å²	101	57 Å²	57	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-92.6	-21.3	-165.4	-48.8	-58	0	0	0	112.3	H516	H516-I520 WeakPolarHBondContact ND1-CG1 3.36Å; H516-I520 WeakPolarHBondContact O-CB 3.49Å; H516-I520 PolarHBondContact O-N 3.47Å
521	H	56.6	Low	62.1	Low	59 Å²	59	56.4 Å²	56.4	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-127	18	-176.6	-54.9	-52.1	0	0	0	113.1	V502 H516 M517 G523	V502-H521 WeakPolarHBondContact CG1-ND1 3.48Å; H516-H521 AromaticContact CE1-CD2 3.87Å; H516-H521 AromaticContact CE1-NE2 3.42Å; H516-H521 PolarHBondContact CE1-NE2 3.46Å; M517-H521 CarbonylContact O-C 3.58Å; M517-H521 PolarHBondContact O-N 3.45Å; H521-G523 VanDerWaalsContact C-N 3.3Å; H521-G523 PolarHBondContact O-N 3.46Å
522	G	54	Low	62.7	Low	65 Å²	65	55.4 Å²	55.4	67%	0.67	31%	0.307	S	S	*	.			trans	70.7	16.1	169.4	0	0	0	0	0	115.8	M517 S518 A524	M517-G522 PolarHBondContact O-N 2.92Å; S518-G522 PolarHBondContact O-N 2.94Å; G522-A524 PolarHBondContact O-N 3.14Å
523	G	53.8	Low	63.2	Low	27 Å²	27	52.9 Å²	52.9	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	72.2	-12.4	168	0	0	0	0	0	117.7	M517 S518 H521 H525	M517-G523 PolarHBondContact O-N 3.26Å; M517-G523 VanDerWaalsContact O-N 3.09Å; S518-G523 PolarHBondContact O-N 2.82Å; H521-G523 VanDerWaalsContact C-N 3.3Å; H521-G523 PolarHBondContact O-N 3.46Å; G523-H525 PolarHBondContact O-N 3.38Å
524	A	43.9	Very low	63.2	Low	79 Å²	79	57.1 Å²	57.1	65%	0.653	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.5	-177.1	0	0	0	0	0	114.3	G522	G522-A524 PolarHBondContact O-N 3.14Å
525	H	56.2	Low	63.2	Low	122 Å²	122	55.2 Å²	55.2	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	68.5	-179.7	-57.8	-57.5	0	0	0	112.9	G523 N527 N528	G523-H525 PolarHBondContact O-N 3.38Å; H525-N527 PolarHBondContact O-N 2.98Å; H525-N528 HydrophobicContact CB-CB 3.97Å; H525-N528 VanDerWaalsContact CB-CG 3.43Å; H525-N528 VanDerWaalsContact CB-ND2 3.33Å; H525-N528 WeakPolarHBondContact CB-ND2 3.13Å; H525-N528 PolarHBondContact O-N 3.42Å
526	L	54.1	Low	63.3	Low	61 Å²	61	55.7 Å²	55.7	32%	0.319	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-29.7	179.1	-59.5	178.3	0	0	0	114.3	R514 M517	R514-L526 HydrophobicContact CB-CB 4.48Å; R514-L526 HydrophobicContact CG-CB 4.3Å; R514-L526 WeakPolarHBondContact CG-O 3.47Å; M517-L526 HydrophobicContact CB-CD2 4.29Å; M517-L526 WeakPolarHBondContact CG-O 3.15Å
527	N	62.8	Low	63.4	Low	116 Å²	116	59.1 Å²	59.1	62%	0.62	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	9.5	-177.1	-64.1	-21.6	0	0	0	114.5	H525 F529	H525-N527 PolarHBondContact O-N 2.98Å; N527-F529 HydrophobicContact CB-CE1 4.49Å; N527-F529 PolarHBondContact O-N 3.48Å
528	N	66.9	Low	63.8	Low	73 Å²	73	63.4 Å²	63.4	39%	0.39	35%	0.349	S	S	.	.			trans	-81.2	64.6	177.3	-78.5	11.3	0	0	0	112.1	V501 H525	V501-N528 WeakPolarHBondContact CB-O 3.26Å; V501-N528 VanDerWaalsContact CG2-O 3.31Å; V501-N528 WeakPolarHBondContact CG2-O 3.33Å; V501-N528 PolarHBondContact N-O 3.1Å; H525-N528 HydrophobicContact CB-CB 3.97Å; H525-N528 VanDerWaalsContact CB-CG 3.43Å; H525-N528 VanDerWaalsContact CB-ND2 3.33Å; H525-N528 WeakPolarHBondContact CB-ND2 3.13Å; H525-N528 PolarHBondContact O-N 3.42Å
529	F	75	Confident	64.8	Low	22 Å²	22	64.8 Å²	64.8	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.6	171	54.1	-102.2	0	0	0	110.6	Y498 K499 I513 R514 N527 F531	Y498-F529 AromaticContact CD1-CD2 3.63Å; Y498-F529 HydrophobicContact CD1-CD2 3.63Å; Y498-F529 AromaticContact CD1-CE2 3.49Å; Y498-F529 HydrophobicContact CD1-CE2 3.49Å; Y498-F529 VanDerWaalsContact CD1-CE2 3.49Å; Y498-F529 HydrophobicContact CD1-CG 4.48Å; Y498-F529 HydrophobicContact CD1-CZ 4.23Å; Y498-F529 HydrophobicContact CE1-CD2 4.45Å; Y498-F529 AromaticContact CE1-CE2 3.88Å; Y498-F529 HydrophobicContact CE1-CE2 3.88Å; Y498-F529 HydrophobicContact CE1-CZ 4.46Å; Y498-F529 HydrophobicContact CG-CD2 4.49Å; K499-F529 CarbonylContact O-C 3.51Å; K499-F529 WeakPolarHBondContact O-CA 3.19Å; K499-F529 WeakPolarHBondContact O-CB 3.41Å; I513-F529 HydrophobicContact CB-CD1 4.4Å; I513-F529 HydrophobicContact CG1-CB 3.71Å; I513-F529 HydrophobicContact CG1-CD1 4Å; I513-F529 HydrophobicContact CG1-CG 4.01Å; I513-F529 HydrophobicContact CG2-CD1 3.47Å; I513-F529 VanDerWaalsContact CG2-CD1 3.47Å; I513-F529 HydrophobicContact CG2-CD2 4.5Å; I513-F529 HydrophobicContact CG2-CE1 3.63Å; I513-F529 HydrophobicContact CG2-CG 3.94Å; I513-F529 HydrophobicContact CG2-CZ 4.23Å; R514-F529 HydrophobicContact CG-CE1 4.06Å; N527-F529 HydrophobicContact CB-CE1 4.49Å; N527-F529 PolarHBondContact O-N 3.48Å; F529-F531 HydrophobicContact CE2-CE2 4.18Å; F529-F531 HydrophobicContact CE2-CZ 4.05Å
530	F	79	Confident	66	Low	57 Å²	57	62.6 Å²	62.6	25%	0.25	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.7	167.3	-60.4	-46.7	0	0	0	110.3	K499 V501 E539 T541	K499-F530 PolarHBondContact N-O 3.06Å; K499-F530 PolarHBondContact O-N 2.9Å; V501-F530 HydrophobicContact CG1-CE2 4.43Å; V501-F530 HydrophobicContact CG1-CZ 4.25Å; V501-F530 HydrophobicContact CG2-CD1 4.01Å; V501-F530 HydrophobicContact CG2-CD2 3.99Å; V501-F530 HydrophobicContact CG2-CE1 3.87Å; V501-F530 HydrophobicContact CG2-CE2 3.86Å; V501-F530 HydrophobicContact CG2-CG 4.06Å; V501-F530 HydrophobicContact CG2-CZ 3.8Å; F530-E539 HydrophobicContact CB-CB 4.16Å; F530-E539 HydrophobicContact CD2-CB 4.08Å; F530-E539 HydrophobicContact CD2-CG 4.33Å; F530-E539 WeakPolarHBondContact CD2-OE2 3.43Å; F530-E539 HydrophobicContact CG-CB 4.23Å; F530-T541 HydrophobicContact CD1-CG2 3.95Å; F530-T541 HydrophobicContact CE1-CG2 3.81Å
531	F	79	Confident	66.7	Low	24 Å²	24	62.7 Å²	62.7	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.5	160.3	-63.7	-94.8	0	0	0	108.1	F491 Y498 F529 L540 R542 K543 I546	F491-F531 HydrophobicContact CE1-CD1 4.17Å; F491-F531 HydrophobicContact CE1-CE1 4.16Å; F491-F531 HydrophobicContact CZ-CE1 4.24Å; Y498-F531 HydrophobicContact CD1-CD1 4.42Å; Y498-F531 HydrophobicContact CD1-CE1 4.31Å; Y498-F531 HydrophobicContact CE1-CD1 4.07Å; Y498-F531 AromaticContact CE1-CE1 3.66Å; Y498-F531 HydrophobicContact CE1-CE1 3.66Å; Y498-F531 HydrophobicContact CE1-CZ 4.36Å; F529-F531 HydrophobicContact CE2-CE2 4.18Å; F529-F531 HydrophobicContact CE2-CZ 4.05Å; F531-L540 PolarHBondContact N-O 3.42Å; F531-L540 PolarHBondContact O-N 3.47Å; F531-R542 VanDerWaalsContact CD2-C 3.49Å; F531-K543 HydrophobicContact CE1-CB 3.93Å; F531-K543 HydrophobicContact CE1-CG 4.39Å; F531-K543 HydrophobicContact CE2-CB 4.36Å; F531-K543 VanDerWaalsContact CE2-N 3.34Å; F531-K543 HydrophobicContact CZ-CB 3.77Å; F531-I546 HydrophobicContact CB-CB 3.74Å; F531-I546 HydrophobicContact CB-CD1 4.38Å; F531-I546 HydrophobicContact CB-CG1 3.97Å; F531-I546 HydrophobicContact CB-CG2 3.69Å; F531-I546 HydrophobicContact CD1-CG2 3.81Å; F531-I546 HydrophobicContact CG-CB 4.4Å; F531-I546 HydrophobicContact CG-CG2 3.82Å
532	W	76.7	Confident	67.4	Low	5 Å²	5	66.8 Å²	66.8	2%	0.019	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124	-173.3	176.3	75.8	0	0	0	110.2	G497 K499 V506 R534 K537 F711	G497-W532 PolarHBondContact N-O 3.41Å; G497-W532 PolarHBondContact O-N 3.13Å; K499-W532 HydrophobicContact CB-CB 4.14Å; V506-W532 HydrophobicContact CG1-CD2 4.36Å; V506-W532 HydrophobicContact CG1-CE3 3.7Å; V506-W532 HydrophobicContact CG1-CZ3 3.81Å; W532-R534 HydrophobicContact CE3-CB 4.11Å; W532-R534 HydrophobicContact CH2-CB 3.97Å; W532-R534 HydrophobicContact CH2-CG 3.79Å; W532-R534 HydrophobicContact CZ3-CB 3.65Å; W532-R534 HydrophobicContact CZ3-CG 3.82Å; W532-K537 HydrophobicContact CZ2-CG 4.29Å; W532-F711 HydrophobicContact CH2-CD2 4.24Å; W532-F711 HydrophobicContact CH2-CE2 4.5Å
533	C	76.9	Confident	68.2	Low	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.7	172.3	-177.5	0	0	0	0	109.7	T535 C536 K537 K538 I546	C533-T535 PolarHBondContact O-N 3.22Å; C533-C536 PolarHBondContact O-N 3.41Å; C533-C536 VanDerWaalsContact SG-SG 3.68Å; C533-K537 WeakPolarHBondContact O-CA 3.45Å; C533-K537 PolarHBondContact O-N 2.79Å; C533-K538 PolarHBondContact N-O 3.33Å; C533-I546 HydrophobicContact CB-CD1 3.75Å
534	R	68.4	Low	69.1	Low	89 Å²	89	67.3 Å²	67.3	34%	0.336	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.4	178.4	-174.9	168.3	162.8	-175.2	-7.9	112.9	T495 W532 F711	T495-R534 WeakPolarHBondContact O-CB 3.39Å; T495-R534 PolarHBondContact O-N 3.15Å; T495-R534 VanDerWaalsContact O-N 3.07Å; W532-R534 HydrophobicContact CE3-CB 4.11Å; W532-R534 HydrophobicContact CH2-CB 3.97Å; W532-R534 HydrophobicContact CH2-CG 3.79Å; W532-R534 HydrophobicContact CZ3-CB 3.65Å; W532-R534 HydrophobicContact CZ3-CG 3.82Å; R534-F711 VanDerWaalsContact NH2-CD1 3.3Å
535	T	63.6	Low	70.6	Confident	71 Å²	71	66.2 Å²	66.2	44%	0.436	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-33	179.3	-40.1	0	0	0	0	114	T495 C533	T495-T535 PolarHBondContact OG1-OG1 2.77Å; T495-T535 VanDerWaalsContact OG1-OG1 3.1Å; C533-T535 PolarHBondContact O-N 3.22Å
536	C	64.6	Low	71.4	Confident	58 Å²	58	60.4 Å²	60.4	39%	0.392	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	2.7	-174.7	73	0	0	0	0	115.2	C533 K538 H549	C533-C536 PolarHBondContact O-N 3.41Å; C533-C536 VanDerWaalsContact SG-SG 3.68Å; C536-K538 PolarHBondContact O-N 2.98Å; C536-K538 WeakPolarHBondContact SG-CB 3.42Å; C536-H549 VanDerWaalsContact SG-CE1 3.58Å; C536-H549 PolarHBondContact SG-NE2 3.02Å
537	K	69.3	Low	72.1	Confident	85 Å²	85	58.1 Å²	58.1	37%	0.37	29%	0.287	S	S	.	.			trans	55.9	21.2	-174.4	-62.4	-161.9	169.6	-158.5	0	115.5	W532 C533 E708	W532-K537 HydrophobicContact CZ2-CG 4.29Å; C533-K537 WeakPolarHBondContact O-CA 3.45Å; C533-K537 PolarHBondContact O-N 2.79Å; K537-E708 IonicContact NZ-OE2 2.66Å; K537-E708 PolarHBondContact NZ-OE2 2.88Å
538	K	71	Confident	72.4	Confident	93 Å²	93	54.4 Å²	54.4	40%	0.404	27%	0.272	S	S	.	.			trans	-75	129.8	176	-167.9	179.2	-175.5	-174.9	0	111.1	C533 C536 L540	C533-K538 PolarHBondContact N-O 3.33Å; C536-K538 PolarHBondContact O-N 2.98Å; C536-K538 WeakPolarHBondContact SG-CB 3.42Å; K538-L540 HydrophobicContact CD-CD1 4.26Å; K538-L540 HydrophobicContact CD-CG 4.44Å; K538-L540 HydrophobicContact CG-CD1 4.49Å; K538-L540 HydrophobicContact CG-CG 4.28Å
539	E	78.4	Confident	72.7	Confident	79 Å²	79	51.5 Å²	51.5	37%	0.369	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134	176	-66.2	173.3	-172.2	0	0	110.3	K499 F530	K499-E539 HydrophobicContact CD-CG 4.46Å; K499-E539 WeakPolarHBondContact CD-OE1 3.3Å; K499-E539 WeakPolarHBondContact CE-OE1 3.48Å; K499-E539 IonicContact NZ-OE1 3.69Å; K499-E539 PolarHBondContact NZ-OE1 3.26Å; F530-E539 HydrophobicContact CB-CB 4.16Å; F530-E539 HydrophobicContact CD2-CB 4.08Å; F530-E539 HydrophobicContact CD2-CG 4.33Å; F530-E539 WeakPolarHBondContact CD2-OE2 3.43Å; F530-E539 HydrophobicContact CG-CB 4.23Å
540	L	77.6	Confident	72.4	Confident	28 Å²	28	50.5 Å²	50.5	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141	-174.1	-73	170.5	0	0	0	111.3	F531 K538 T545 I546 H549	F531-L540 PolarHBondContact N-O 3.42Å; F531-L540 PolarHBondContact O-N 3.47Å; K538-L540 HydrophobicContact CD-CD1 4.26Å; K538-L540 HydrophobicContact CD-CG 4.44Å; K538-L540 HydrophobicContact CG-CD1 4.49Å; K538-L540 HydrophobicContact CG-CG 4.28Å; L540-T545 WeakPolarHBondContact CD1-O 3.48Å; L540-I546 HydrophobicContact CB-CB 4.46Å; L540-I546 HydrophobicContact CD1-CB 4.19Å; L540-I546 HydrophobicContact CD1-CD1 3.97Å; L540-H549 HydrophobicContact CD1-CB 3.8Å
541	T	72.7	Confident	71.7	Confident	104 Å²	104	48.9 Å²	48.9	64%	0.638	25%	0.247	S	C	*	.	S	Bend	trans	-84.2	-6.4	-172.8	47.9	0	0	0	0	115.3	F530	F530-T541 HydrophobicContact CD1-CG2 3.95Å; F530-T541 HydrophobicContact CE1-CG2 3.81Å
542	R	72.4	Confident	70.9	Confident	145 Å²	145	54.6 Å²	54.6	55%	0.547	27%	0.274	S	S	.	.			trans	-140.5	144.3	-174.2	-72.9	179.5	59.3	161.8	-0.6	112.5	F531 D544 T545 I546	F531-R542 VanDerWaalsContact CD2-C 3.49Å; R542-D544 VanDerWaalsContact C-N 3.27Å; R542-D544 IonicContact CZ-OD2 3.8Å; R542-D544 IonicContact NE-OD2 2.97Å; R542-D544 PolarHBondContact NE-OD2 3.07Å; R542-D544 VanDerWaalsContact NE-OD2 3.16Å; R542-D544 IonicContact NH2-OD2 2.69Å; R542-D544 PolarHBondContact NH2-OD2 3.35Å; R542-D544 PolarHBondContact O-N 2.84Å; R542-T545 HydrophobicContact CB-CG2 4.29Å; R542-T545 PolarHBondContact O-N 3.21Å; R542-T545 VanDerWaalsContact O-N 3.15Å; R542-T545 PolarHBondContact O-OG1 3Å; R542-I546 PolarHBondContact O-N 3.42Å; R542-I546 VanDerWaalsContact O-N 3.13Å
543	K	70.8	Confident	69.9	Low	45 Å²	45	60.8 Å²	60.8	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-54.7	-41.5	171.6	-176.2	171.9	169	-179.1	0	112.1	S425 E487 F491 F531 T545 I546 M547	S425-K543 PolarHBondContact OG-NZ 3.18Å; E487-K543 IonicContact OE1-NZ 2.7Å; E487-K543 PolarHBondContact OE1-NZ 2.55Å; E487-K543 IonicContact OE2-NZ 3.5Å; E487-K543 PolarHBondContact OE2-NZ 2.98Å; F491-K543 HydrophobicContact CZ-CD 4.24Å; F491-K543 HydrophobicContact CZ-CG 4.23Å; F531-K543 HydrophobicContact CE1-CB 3.93Å; F531-K543 HydrophobicContact CE1-CG 4.39Å; F531-K543 HydrophobicContact CE2-CB 4.36Å; F531-K543 VanDerWaalsContact CE2-N 3.34Å; F531-K543 HydrophobicContact CZ-CB 3.77Å; K543-T545 VanDerWaalsContact C-N 3.34Å; K543-T545 PolarHBondContact O-N 3.32Å; K543-I546 WeakPolarHBondContact O-CG2 3.5Å; K543-M547 WeakPolarHBondContact O-CB 3.45Å; K543-M547 VanDerWaalsContact O-CG 3.25Å; K543-M547 WeakPolarHBondContact O-CG 3.42Å; K543-M547 PolarHBondContact O-N 2.94Å
544	D	72.9	Confident	69.3	Low	58 Å²	58	63.1 Å²	63.1	31%	0.31	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-38.4	179.5	-42.6	-66.4	0	0	0	112.3	S426 R542 A548	S426-D544 PolarHBondContact OG-OD1 3.43Å; R542-D544 VanDerWaalsContact C-N 3.27Å; R542-D544 IonicContact CZ-OD2 3.8Å; R542-D544 IonicContact NE-OD2 2.97Å; R542-D544 PolarHBondContact NE-OD2 3.07Å; R542-D544 VanDerWaalsContact NE-OD2 3.16Å; R542-D544 IonicContact NH2-OD2 2.69Å; R542-D544 PolarHBondContact NH2-OD2 3.35Å; R542-D544 PolarHBondContact O-N 2.84Å; D544-A548 WeakPolarHBondContact O-CB 3.24Å; D544-A548 PolarHBondContact O-N 3.18Å
545	T	75.1	Confident	68.7	Low	55 Å²	55	67.4 Å²	67.4	34%	0.337	34%	0.342	S	S	.	.	H	α-helix	trans	-79.6	-32.1	-175.8	58.5	0	0	0	0	112.3	L540 R542 K543 H549	L540-T545 WeakPolarHBondContact CD1-O 3.48Å; R542-T545 HydrophobicContact CB-CG2 4.29Å; R542-T545 PolarHBondContact O-N 3.21Å; R542-T545 VanDerWaalsContact O-N 3.15Å; R542-T545 PolarHBondContact O-OG1 3Å; K543-T545 VanDerWaalsContact C-N 3.34Å; K543-T545 PolarHBondContact O-N 3.32Å; T545-H549 WeakPolarHBondContact O-CB 3.28Å; T545-H549 PolarHBondContact O-N 2.86Å
546	I	73	Confident	68.7	Low	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.3	-38.8	169.9	-170.2	73	0	0	0	111.2	M496 F531 C533 L540 R542 K543 V550	M496-I546 HydrophobicContact CE-CG1 4.01Å; M496-I546 HydrophobicContact CG-CG1 3.99Å; M496-I546 HydrophobicContact SD-CG1 3.98Å; M496-I546 HydrophobicContact SD-CG2 4.23Å; F531-I546 HydrophobicContact CB-CB 3.74Å; F531-I546 HydrophobicContact CB-CD1 4.38Å; F531-I546 HydrophobicContact CB-CG1 3.97Å; F531-I546 HydrophobicContact CB-CG2 3.69Å; F531-I546 HydrophobicContact CD1-CG2 3.81Å; F531-I546 HydrophobicContact CG-CB 4.4Å; F531-I546 HydrophobicContact CG-CG2 3.82Å; C533-I546 HydrophobicContact CB-CD1 3.75Å; L540-I546 HydrophobicContact CB-CB 4.46Å; L540-I546 HydrophobicContact CD1-CB 4.19Å; L540-I546 HydrophobicContact CD1-CD1 3.97Å; R542-I546 PolarHBondContact O-N 3.42Å; R542-I546 VanDerWaalsContact O-N 3.13Å; K543-I546 WeakPolarHBondContact O-CG2 3.5Å; I546-V550 WeakPolarHBondContact O-CB 3.3Å; I546-V550 WeakPolarHBondContact O-CG2 3.48Å; I546-V550 PolarHBondContact O-N 3.39Å
547	M	68.1	Low	69	Low	14 Å²	14	64 Å²	64	7%	0.069	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-46.1	173.6	-69.5	-64.3	-33.2	0	0	112.3	L427 V490 M496 K543 V550 T551	L427-M547 HydrophobicContact CD1-CE 4.27Å; L427-M547 HydrophobicContact CD1-SD 3.91Å; L427-M547 HydrophobicContact CD2-CE 3.66Å; L427-M547 HydrophobicContact CD2-CG 4.02Å; L427-M547 HydrophobicContact CD2-SD 4.02Å; V490-M547 HydrophobicContact CG1-CE 4.13Å; V490-M547 HydrophobicContact CG1-SD 4.31Å; M496-M547 HydrophobicContact CE-CE 4.18Å; M496-M547 HydrophobicContact CE-CG 4.36Å; M496-M547 HydrophobicContact CE-SD 3.54Å; M496-M547 VanDerWaalsContact CE-SD 3.54Å; M496-M547 HydrophobicContact SD-SD 3.88Å; K543-M547 WeakPolarHBondContact O-CB 3.45Å; K543-M547 VanDerWaalsContact O-CG 3.25Å; K543-M547 WeakPolarHBondContact O-CG 3.42Å; K543-M547 PolarHBondContact O-N 2.94Å; M547-V550 PolarHBondContact O-N 3.26Å; M547-T551 HydrophobicContact CE-CG2 4.34Å; M547-T551 WeakPolarHBondContact O-CB 3.34Å; M547-T551 VanDerWaalsContact O-CG2 3.31Å; M547-T551 WeakPolarHBondContact O-CG2 3.4Å; M547-T551 PolarHBondContact O-N 3.07Å; M547-T551 PolarHBondContact O-OG1 2.93Å
548	A	69.3	Low	68.5	Low	37 Å²	37	66.3 Å²	66.3	31%	0.306	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-50.8	174.3	0	0	0	0	0	110.8	D544 V550 T551 E552	D544-A548 WeakPolarHBondContact O-CB 3.24Å; D544-A548 PolarHBondContact O-N 3.18Å; A548-V550 PolarHBondContact O-N 2.84Å; A548-T551 PolarHBondContact O-N 2.82Å; A548-T551 VanDerWaalsContact O-N 3.14Å; A548-T551 PolarHBondContact O-OG1 3.49Å; A548-E552 WeakPolarHBondContact O-CB 3.41Å; A548-E552 VanDerWaalsContact O-CG 3.3Å; A548-E552 WeakPolarHBondContact O-CG 3.5Å; A548-E552 PolarHBondContact O-N 3.17Å
549	H	72.7	Confident	68.3	Low	12 Å²	12	65.7 Å²	65.7	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-46.7	178.1	166.2	47.9	0	0	0	113.1	C536 L540 T545 T551 E552 F553 H554	C536-H549 VanDerWaalsContact SG-CE1 3.58Å; C536-H549 PolarHBondContact SG-NE2 3.02Å; L540-H549 HydrophobicContact CD1-CB 3.8Å; T545-H549 WeakPolarHBondContact O-CB 3.28Å; T545-H549 PolarHBondContact O-N 2.86Å; H549-T551 VanDerWaalsContact C-N 3.31Å; H549-T551 PolarHBondContact O-N 3.3Å; H549-E552 PolarHBondContact O-N 3.13Å; H549-F553 AromaticContact ND1-CD2 3.37Å; H549-F553 WeakPolarHBondContact ND1-CD2 3.3Å; H549-F553 AromaticContact ND1-CG 3.72Å; H549-F553 WeakPolarHBondContact O-CB 3.49Å; H549-F553 WeakPolarHBondContact O-CD2 3.47Å; H549-F553 PolarHBondContact O-N 3.03Å; H549-H554 AromaticContact CE1-NE2 3.94Å; H549-H554 AromaticContact NE2-NE2 3.88Å
550	V	68.9	Low	68.2	Low	2 Å²	2	61.9 Å²	61.9	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-27.8	179.4	170.7	0	0	0	0	112.2	N494 M496 I546 M547 A548 H554	N494-V550 HydrophobicContact CB-CG1 3.95Å; M496-V550 HydrophobicContact CE-CB 3.52Å; M496-V550 HydrophobicContact CE-CG1 3.97Å; M496-V550 HydrophobicContact CE-CG2 3.44Å; M496-V550 VanDerWaalsContact CE-CG2 3.44Å; M496-V550 HydrophobicContact CG-CG2 4.44Å; I546-V550 WeakPolarHBondContact O-CB 3.3Å; I546-V550 WeakPolarHBondContact O-CG2 3.48Å; I546-V550 PolarHBondContact O-N 3.39Å; M547-V550 PolarHBondContact O-N 3.26Å; A548-V550 PolarHBondContact O-N 2.84Å; V550-H554 HydrophobicContact CG1-CB 4.35Å; V550-H554 CarbonylContact O-C 3.55Å; V550-H554 VanDerWaalsContact O-C 3.25Å; V550-H554 WeakPolarHBondContact O-CA 3.34Å; V550-H554 WeakPolarHBondContact O-CB 3.29Å; V550-H554 PolarHBondContact O-N 3.44Å
551	T	64.2	Low	67.7	Low	23 Å²	23	63.2 Å²	63.2	14%	0.141	31%	0.306	C	S	.	.	H	α-helix	trans	-91	-7.2	179.1	61	0	0	0	0	115	M547 A548 H549 R558	M547-T551 HydrophobicContact CE-CG2 4.34Å; M547-T551 WeakPolarHBondContact O-CB 3.34Å; M547-T551 VanDerWaalsContact O-CG2 3.31Å; M547-T551 WeakPolarHBondContact O-CG2 3.4Å; M547-T551 PolarHBondContact O-N 3.07Å; M547-T551 PolarHBondContact O-OG1 2.93Å; A548-T551 PolarHBondContact O-N 2.82Å; A548-T551 VanDerWaalsContact O-N 3.14Å; A548-T551 PolarHBondContact O-OG1 3.49Å; H549-T551 VanDerWaalsContact C-N 3.31Å; H549-T551 PolarHBondContact O-N 3.3Å; T551-R558 HydrophobicContact CG2-CB 3.92Å; T551-R558 HydrophobicContact CG2-CG 3.76Å; T551-R558 PolarHBondContact O-NH1 3Å; T551-R558 PolarHBondContact O-NH2 2.95Å
552	E	62	Low	68.2	Low	143 Å²	143	60.9 Å²	60.9	67%	0.668	29%	0.287	S	S	*	.	H	α-helix	trans	-99.9	-40	171.6	-74.1	172.7	179.9	0	0	112.9	A548 H549	A548-E552 WeakPolarHBondContact O-CB 3.41Å; A548-E552 VanDerWaalsContact O-CG 3.3Å; A548-E552 WeakPolarHBondContact O-CG 3.5Å; A548-E552 PolarHBondContact O-N 3.17Å; H549-E552 PolarHBondContact O-N 3.13Å
553	F	56.4	Low	67.9	Low	136 Å²	136	58 Å²	58	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-106.1	-12.4	-172.3	-65.9	-95.2	0	0	0	113.8	H549	H549-F553 AromaticContact ND1-CD2 3.37Å; H549-F553 WeakPolarHBondContact ND1-CD2 3.3Å; H549-F553 AromaticContact ND1-CG 3.72Å; H549-F553 WeakPolarHBondContact O-CB 3.49Å; H549-F553 WeakPolarHBondContact O-CD2 3.47Å; H549-F553 PolarHBondContact O-N 3.03Å
554	H	64.1	Low	67.6	Low	48 Å²	48	60 Å²	60	22%	0.222	29%	0.294	C	S	.	.	S	Bend	trans	-135.1	166.9	177.7	-52.4	-44.5	0	0	0	110.4	H549 V550 G556	H549-H554 AromaticContact CE1-NE2 3.94Å; H549-H554 AromaticContact NE2-NE2 3.88Å; V550-H554 HydrophobicContact CG1-CB 4.35Å; V550-H554 CarbonylContact O-C 3.55Å; V550-H554 VanDerWaalsContact O-C 3.25Å; V550-H554 WeakPolarHBondContact O-CA 3.34Å; V550-H554 WeakPolarHBondContact O-CB 3.29Å; V550-H554 PolarHBondContact O-N 3.44Å; H554-G556 VanDerWaalsContact C-N 3.27Å; H554-G556 PolarHBondContact O-N 3.16Å
555	N	56.3	Low	66.6	Low	179 Å²	179	60.5 Å²	60.5	96%	0.957	29%	0.294	S	S	*	.			trans	-93	56.3	175.1	-71.7	-16.2	0	0	0	110.4
556	G	63.5	Low	65	Low	10 Å²	10	63.9 Å²	63.9	10%	0.103	32%	0.315	C	S	.	.			trans	-85.8	158.8	-178.6	0	0	0	0	0	114.4	N494 H554 R558	N494-G556 VanDerWaalsContact OD1-C 3.26Å; N494-G556 WeakPolarHBondContact OD1-CA 3.37Å; H554-G556 VanDerWaalsContact C-N 3.27Å; H554-G556 PolarHBondContact O-N 3.16Å; G556-R558 VanDerWaalsContact O-CG 3.3Å; G556-R558 WeakPolarHBondContact O-CG 3.31Å; G556-R558 PolarHBondContact O-N 2.86Å
557	H	70.4	Confident	63.7	Low	47 Å²	47	72.8 Å²	72.8	22%	0.218	36%	0.356	C	S	.	.			trans	-63.1	122.9	176.6	-67.1	-168.4	0	0	0	110.2	E475 H489 V490 N494	E475-H557 WeakPolarHBondContact OE1-CA 3.44Å; H489-H557 AromaticContact CD2-ND1 3.82Å; H489-H557 AromaticContact CE1-CE1 3.76Å; H489-H557 AromaticContact CE1-ND1 3.96Å; H489-H557 AromaticContact NE2-CE1 3.24Å; H489-H557 PolarHBondContact NE2-CE1 2.95Å; H489-H557 AromaticContact NE2-ND1 3.09Å; H489-H557 PolarHBondContact NE2-ND1 2.85Å; V490-H557 HydrophobicContact CG1-CB 4.45Å; V490-H557 HydrophobicContact CG2-CB 4.36Å; N494-H557 PolarHBondContact ND2-O 3.2Å; N494-H557 PolarHBondContact OD1-N 2.94Å
558	R	58.2	Low	61.9	Low	134 Å²	134	75.3 Å²	75.3	51%	0.506	39%	0.386	S	S	.	.			trans	-99.8	-32	-166.7	-37.6	170.9	69.8	95.3	7.7	114.7	E475 T551 G556	E475-R558 WeakPolarHBondContact OE1-CG 3.38Å; E475-R558 PolarHBondContact OE1-N 2.99Å; E475-R558 WeakPolarHBondContact OE2-CA 3.48Å; E475-R558 WeakPolarHBondContact OE2-CB 3.37Å; E475-R558 PolarHBondContact OE2-N 3.01Å; T551-R558 HydrophobicContact CG2-CB 3.92Å; T551-R558 HydrophobicContact CG2-CG 3.76Å; T551-R558 PolarHBondContact O-NH1 3Å; T551-R558 PolarHBondContact O-NH2 2.95Å; G556-R558 VanDerWaalsContact O-CG 3.3Å; G556-R558 WeakPolarHBondContact O-CG 3.31Å; G556-R558 PolarHBondContact O-N 2.86Å
559	Y	68	Low	60.1	Low	80 Å²	80	82.5 Å²	82.5	31%	0.314	41%	0.413	S	S	.	.			trans	-150.4	168.7	179.8	66.4	-91.3	0	0	0	115.3	E475 Y561	E475-Y559 HydrophobicContact CB-CD1 4.29Å; E475-Y559 HydrophobicContact CB-CD2 4.35Å; E475-Y559 HydrophobicContact CB-CE1 3.92Å; E475-Y559 HydrophobicContact CB-CE2 3.98Å; E475-Y559 HydrophobicContact CB-CG 4.48Å; E475-Y559 PolarHBondContact N-O 2.98Å; E475-Y559 WeakPolarHBondContact OE2-CD1 3.49Å; E475-Y559 VanDerWaalsContact OE2-CE1 3.26Å; E475-Y559 WeakPolarHBondContact OE2-CE1 3.4Å; E475-Y559 PolarHBondContact OE2-N 2.95Å; Y559-Y561 HydrophobicContact CD2-CD1 4.36Å; Y559-Y561 HydrophobicContact CE2-CD1 4.08Å
560	F	76.3	Confident	57.8	Low	0 Å²	0	88.2 Å²	88.2	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.4	166.6	59.6	-104.6	0	0	0	112	L427 K428 R429 W472 F473 E483 V486 E487 V490	L427-F560 HydrophobicContact CB-CD1 3.89Å; L427-F560 HydrophobicContact CB-CE1 3.61Å; L427-F560 HydrophobicContact CB-CZ 4.19Å; L427-F560 HydrophobicContact CD1-CD1 4.47Å; L427-F560 HydrophobicContact CD1-CE1 4Å; L427-F560 HydrophobicContact CG-CE1 4.43Å; L427-F560 PolarHBondContact O-N 3.18Å; L427-F560 VanDerWaalsContact O-N 3.13Å; L427-F560 VanDerWaalsContact O-O 3.1Å; K428-F560 HydrophobicContact CB-CD2 4.4Å; K428-F560 HydrophobicContact CB-CE2 3.86Å; K428-F560 HydrophobicContact CG-CE2 4.28Å; R429-F560 PolarHBondContact N-O 3.4Å; R429-F560 VanDerWaalsContact N-O 3.1Å; W472-F560 HydrophobicContact CE3-CD2 4.11Å; W472-F560 HydrophobicContact CE3-CE2 4.2Å; W472-F560 HydrophobicContact CZ3-CD2 4.29Å; W472-F560 HydrophobicContact CZ3-CE2 4.03Å; F473-F560 CarbonylContact O-C 3.55Å; F473-F560 WeakPolarHBondContact O-CA 3.42Å; F473-F560 VanDerWaalsContact O-CB 3.29Å; F473-F560 WeakPolarHBondContact O-CB 3.18Å; E483-F560 HydrophobicContact CG-CE2 3.9Å; E483-F560 HydrophobicContact CG-CZ 4.09Å; V486-F560 HydrophobicContact CG1-CB 4.18Å; V486-F560 HydrophobicContact CG1-CD1 4.06Å; V486-F560 HydrophobicContact CG1-CD2 3.78Å; V486-F560 HydrophobicContact CG1-CE1 4.33Å; V486-F560 HydrophobicContact CG1-CE2 4.08Å; V486-F560 HydrophobicContact CG1-CG 3.77Å; V486-F560 HydrophobicContact CG1-CZ 4.34Å; V486-F560 HydrophobicContact CG2-CB 3.62Å; V486-F560 HydrophobicContact CG2-CD1 4.27Å; V486-F560 HydrophobicContact CG2-CG 4.02Å; E487-F560 HydrophobicContact CB-CE1 4.33Å; V490-F560 HydrophobicContact CG2-CD1 4.25Å
561	Y	67.1	Low	56.5	Low	56 Å²	56	96 Å²	96	22%	0.22	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	161.6	-177.4	61.5	-84.7	0	0	0	112.1	W472 F473 Y559	W472-Y561 WeakPolarHBondContact CA-O 3.49Å; F473-Y561 HydrophobicContact CB-CD1 4.25Å; F473-Y561 HydrophobicContact CB-CD2 4.17Å; F473-Y561 HydrophobicContact CB-CE1 3.77Å; F473-Y561 HydrophobicContact CB-CE2 3.67Å; F473-Y561 HydrophobicContact CB-CG 4.44Å; F473-Y561 VanDerWaalsContact CB-CZ 3.45Å; F473-Y561 HydrophobicContact CD2-CE2 4.18Å; F473-Y561 HydrophobicContact CG-CE2 4.11Å; F473-Y561 PolarHBondContact N-O 3.49Å; F473-Y561 WeakPolarHBondContact O-CD1 3.47Å; F473-Y561 PolarHBondContact O-N 3.49Å; Y559-Y561 HydrophobicContact CD2-CD1 4.36Å; Y559-Y561 HydrophobicContact CE2-CD1 4.08Å
562	E	81.6	Confident	55	Low	54 Å²	54	100.7 Å²	100.7	25%	0.252	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.9	-177.1	-174.7	-178.9	171.5	0	0	109.2	K428 K470 T471 W472	K428-E562 WeakPolarHBondContact CE-OE2 3.26Å; K428-E562 IonicContact NZ-OE2 2.68Å; K428-E562 PolarHBondContact NZ-OE2 3.39Å; K470-E562 VanDerWaalsContact CD-OE1 3.23Å; K470-E562 WeakPolarHBondContact CD-OE1 3.25Å; K470-E562 WeakPolarHBondContact CE-OE1 3.41Å; K470-E562 IonicContact NZ-OE1 3.69Å; K470-E562 PolarHBondContact NZ-OE1 2.96Å; T471-E562 WeakPolarHBondContact O-CA 3.11Å; W472-E562 HydrophobicContact CE3-CB 4.25Å; W472-E562 HydrophobicContact CH2-CB 4.48Å; W472-E562 HydrophobicContact CH2-CG 4.41Å; W472-E562 HydrophobicContact CZ2-CG 4.27Å; W472-E562 HydrophobicContact CZ3-CB 4.21Å
563	M	67.9	Low	53.3	Low	84 Å²	84	99.1 Å²	99.1	41%	0.414	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.7	175.2	-161.7	178.4	83.2	0	0	109.9	T471 F473 E565	T471-M563 PolarHBondContact N-O 2.93Å; T471-M563 PolarHBondContact O-N 3.21Å; T471-M563 PolarHBondContact OG1-O 3.16Å; F473-M563 HydrophobicContact CD2-CB 4.23Å; F473-M563 HydrophobicContact CE2-CB 4Å; F473-M563 HydrophobicContact CE2-CE 4.22Å; F473-M563 HydrophobicContact CZ-CE 4.37Å; M563-E565 HydrophobicContact CE-CG 3.84Å; M563-E565 WeakPolarHBondContact CE-OE1 3.18Å
564	D	64.7	Low	51.9	Low	88 Å²	88	98.1 Å²	98.1	47%	0.471	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.2	174.7	-61.5	-52.9	0	0	0	109.4	V468 K470	V468-D564 HydrophobicContact CG1-CB 3.86Å; K470-D564 VanDerWaalsContact CG-OD1 3.22Å; K470-D564 WeakPolarHBondContact CG-OD1 3.1Å; K470-D564 IonicContact NZ-OD1 3.4Å; K470-D564 PolarHBondContact NZ-OD1 2.82Å; K470-D564 IonicContact NZ-OD2 3.71Å
565	E	51.3	Low	50.2	Low	69 Å²	69	100.6 Å²	100.6	32%	0.322	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	142.7	172.7	-79.2	-178	-178.1	0	0	111.4	V469 R479 M563	V469-E565 PolarHBondContact O-N 2.93Å; R479-E565 IonicContact CZ-OE1 3.38Å; R479-E565 IonicContact CZ-OE2 2.72Å; R479-E565 VanDerWaalsContact CZ-OE2 3.24Å; R479-E565 IonicContact NH1-OE1 2.91Å; R479-E565 PolarHBondContact NH1-OE1 3.3Å; R479-E565 IonicContact NH1-OE2 3.94Å; R479-E565 PolarHBondContact NH1-OE2 3.49Å; R479-E565 IonicContact NH2-OE1 3.53Å; R479-E565 IonicContact NH2-OE2 2.69Å; R479-E565 PolarHBondContact NH2-OE2 2.83Å; M563-E565 HydrophobicContact CE-CG 3.84Å; M563-E565 WeakPolarHBondContact CE-OE1 3.18Å
566	V	40.7	Very low	48.7	Very low	126 Å²	126	97.5 Å²	97.5	76%	0.764	55%	0.546	S	S	*	.			trans	-106.9	116.3	174.7	-179	0	0	0	0	108.3	G568	V566-G568 PolarHBondContact O-N 3.33Å; V566-G568 VanDerWaalsContact O-N 3.11Å
567	E	45.5	Very low	46.8	Very low	187 Å²	187	103.3 Å²	103.3	87%	0.874	58%	0.579	S	S	*	*			trans	-66.7	110.1	172.6	-68.6	-169.2	137.2	0	0	110.3
568	G	30.1	Very low	44.6	Very low	67 Å²	67	108.7 Å²	108.7	69%	0.691	61%	0.609	S	S	*	*			trans	-177.1	87.2	-176.5	0	0	0	0	0	112.7	V566	V566-G568 PolarHBondContact O-N 3.33Å; V566-G568 VanDerWaalsContact O-N 3.11Å
569	E	33	Very low	42.8	Very low	187 Å²	187	105.3 Å²	105.3	87%	0.874	62%	0.616	S	S	*	*			trans	6.6	120.6	165.9	-58.7	-176.2	157.9	0	0	119.3
570	T	24.8	Very low	40.7	Very low	132 Å²	132	108.2 Å²	108.2	81%	0.81	64%	0.637	S	S	*	*				-164.8	117.1	117.7	9.2	0	0	0	0	113.1
571	L	41.3	Very low	38.2	Very low	166 Å²	166	115.5 Å²	115.5	87%	0.869	68%	0.675	S	S	*	*			trans	-95	128.9	148.7	-78.3	172	0	0	0	108.2
572	P	31	Very low	36.2	Very low	121 Å²	121	118.5 Å²	118.5	79%	0.786	70%	0.699	S	S	*	*			trans	-105.7	118.2	153.3	-9.9	29.5	0	0	0	111.2
573	S	26.7	Very low	33.4	Very low	111 Å²	111	119.8 Å²	119.8	78%	0.776	72%	0.719	S	S	*	*			trans	-84	150.6	-179.4	-53.2	0	0	0	0	113.9
574	S	27	Very low	31.4	Very low	115 Å²	115	124 Å²	124	80%	0.804	74%	0.743	S	S	*	*			trans	173.7	152.6	143.5	-92.2	0	0	0	0	110.8
575	S	28.6	Very low	29.5	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	76%	0.761	S	S	*	*			cis	-173.3	158.9	-13.2	-101.4	0	0	0	0	107.1
576	T	25.1	Very low	28.4	Very low	113 Å²	113	131.6 Å²	131.6	69%	0.693	78%	0.784	S	S	*	*			cis	-172.3	179.5	-13.5	-89.8	0	0	0	0	106.4
577	T	23.2	Very low	27.7	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	78%	0.782	S	S	*	*			trans	88.7	142.5	172.9	73	0	0	0	0	117.9
578	L	23.9	Very low	26.8	Very low	160 Å²	160	127.3 Å²	127.3	84%	0.838	78%	0.78	S	S	*	*			cis	-164	124.3	-20.9	171.2	64.2	0	0	0	112.4
579	G	22	Very low	26.4	Very low	63 Å²	63	128.4 Å²	128.4	65%	0.649	78%	0.782	S	S	*	*			trans	75.6	166.9	152.8	0	0	0	0	0	118.9
580	N	22.7	Very low	26	Very low	142 Å²	142	127.4 Å²	127.4	76%	0.759	78%	0.781	S	S	*	*			cis	-168.2	141	-15.2	-125.5	-1	0	0	0	112.3
581	L	24.7	Very low	25.9	Very low	152 Å²	152	125.2 Å²	125.2	80%	0.796	78%	0.777	S	S	*	*			trans	64	152.3	155.9	-56.5	169.8	0	0	0	117.7
582	T	24.2	Very low	25.1	Very low	120 Å²	120	124.7 Å²	124.7	74%	0.736	77%	0.773	S	S	*	*			cis	-139.8	131.9	-10.5	38.2	0	0	0	0	107
583	A	24.2	Very low	25	Very low	81 Å²	81	125.7 Å²	125.7	67%	0.669	77%	0.77	S	S	*	*				69.3	108.8	67.4	0	0	0	0	0	115.8
584	N	24.1	Very low	24.8	Very low	172 Å²	172	126.5 Å²	126.5	92%	0.92	77%	0.766	S	S	*	*				-175.4	150.4	126.2	-91.2	-22.3	0	0	0	114.4
585	K	26.7	Very low	24.8	Very low	195 Å²	195	128.5 Å²	128.5	85%	0.848	76%	0.762	S	S	*	*			trans	-105.3	179.8	168.3	-113.4	-174.4	176.9	-179.9	0	108.2
586	P	27.8	Very low	24.8	Very low	122 Å²	122	129.2 Å²	129.2	79%	0.792	77%	0.767	S	S	*	*			cis	-135.9	-150	19.7	43.3	-22.5	0	0	0	114.2
587	S	25.2	Very low	25	Very low	104 Å²	104	132.1 Å²	132.1	73%	0.727	78%	0.778	S	S	*	*			trans	-96.8	164.5	-170.9	-46	0	0	0	0	115.7
588	S	26.2	Very low	25.1	Very low	119 Å²	119	130.2 Å²	130.2	83%	0.832	78%	0.775	S	S	*	*			trans	105.7	139.1	143.9	-56.6	0	0	0	0	120.6
589	A	22	Very low	25.5	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	78%	0.776	S	S	*	*			trans	90.6	107.2	153.5	0	0	0	0	0	122.2
590	I	24.2	Very low	25.9	Very low	166 Å²	166	132.8 Å²	132.8	85%	0.851	78%	0.784	S	S	*	*			trans	77.3	109.9	136.1	-56.1	171.3	0	0	0	120.6
591	A	23.3	Very low	26.6	Very low	86 Å²	86	130.6 Å²	130.6	71%	0.711	78%	0.78	S	S	*	*			trans	8.3	140.7	150.7	0	0	0	0	0	123.6
592	I	25.3	Very low	27.6	Very low	154 Å²	154	128.4 Å²	128.4	79%	0.79	78%	0.775	S	S	*	*				-164.9	131.9	111.6	-95.9	154.7	0	0	0	111.4
593	I	27.2	Very low	29	Very low	143 Å²	143	131 Å²	131	73%	0.733	77%	0.771	S	S	*	*			trans	10.7	135.6	141.5	-37.8	173.3	0	0	0	116.5
594	D	22.3	Very low	31	Very low	127 Å²	127	128.2 Å²	128.2	68%	0.679	75%	0.75	S	S	*	*			cis	-155.4	-177.9	33.7	-147.1	-30.8	0	0	0	114.5
595	H	27.1	Very low	33.6	Very low	158 Å²	158	124.1 Å²	124.1	73%	0.731	72%	0.724	S	S	*	*			trans	86.6	78.5	155.1	-62.5	-9.5	0	0	0	118.5
596	S	29	Very low	36.2	Very low	115 Å²	115	117.2 Å²	117.2	80%	0.804	69%	0.692	S	S	*	*			trans	-11.2	122.5	145.6	56.1	0	0	0	0	118.2
597	L	29.3	Very low	38.4	Very low	174 Å²	174	113 Å²	113	91%	0.911	66%	0.662	S	S	*	*			trans	-126.6	137.3	137.2	-165.2	70.4	0	0	0	107.6	N599	L597-N599 PolarHBondContact O-N 2.72Å
598	A	26.9	Very low	40.9	Very low	91 Å²	91	108 Å²	108	75%	0.752	63%	0.627	S	S	*	*			trans	-69	132.3	-166.8	0	0	0	0	0	113	S600	A598-S600 PolarHBondContact O-N 2.7Å
599	N	31.1	Very low	43	Very low	160 Å²	160	107.8 Å²	107.8	86%	0.856	61%	0.608	S	S	*	*			trans	-63.6	105.1	163.8	-80.8	-32.4	0	0	0	108.9	L597 S601	L597-N599 PolarHBondContact O-N 2.72Å; N599-S601 PolarHBondContact O-N 3.42Å; N599-S601 VanDerWaalsContact O-N 3.08Å
600	S	31.4	Very low	45.2	Very low	118 Å²	118	104.2 Å²	104.2	83%	0.825	58%	0.577	S	S	*	*			trans	-75.9	93.1	167.7	45.2	0	0	0	0	109.2	A598	A598-S600 PolarHBondContact O-N 2.7Å
601	S	37.6	Very low	47.2	Very low	96 Å²	96	98 Å²	98	67%	0.671	55%	0.547	S	S	*	.			trans	-50.8	146.7	166.6	-58.8	0	0	0	0	110.2	N599 R603	N599-S601 PolarHBondContact O-N 3.42Å; N599-S601 VanDerWaalsContact O-N 3.08Å; S601-R603 PolarHBondContact O-N 2.62Å
602	P	45.6	Very low	49.3	Very low	105 Å²	105	97.4 Å²	97.4	68%	0.682	53%	0.53	S	S	*	.			trans	-58.6	109	177.6	-22.6	33.3	0	0	0	110.5	G604 F696	P602-G604 PolarHBondContact O-N 2.99Å; P602-F696 HydrophobicContact CB-CE1 4.43Å; P602-F696 HydrophobicContact CB-CZ 4.45Å
603	R	53.8	Low	51.4	Low	176 Å²	176	94 Å²	94	66%	0.664	51%	0.513	S	S	*	.			trans	-67.5	127.6	174.4	-84.4	179	157.1	-116.9	4.4	109.7	S601 S698 E699	S601-R603 PolarHBondContact O-N 2.62Å; R603-S698 PolarHBondContact O-OG 3.31Å; R603-E699 HydrophobicContact CB-CB 3.98Å; R603-E699 HydrophobicContact CB-CG 4.46Å; R603-E699 WeakPolarHBondContact CB-OE2 3.31Å; R603-E699 WeakPolarHBondContact CD-OE1 3.39Å; R603-E699 VanDerWaalsContact CD-OE2 3.25Å; R603-E699 WeakPolarHBondContact CD-OE2 3.48Å; R603-E699 IonicContact CZ-OE1 2.76Å; R603-E699 IonicContact NH1-OE1 3.16Å; R603-E699 PolarHBondContact NH1-OE1 3.4Å; R603-E699 IonicContact NH1-OE2 3.78Å; R603-E699 WeakPolarHBondContact O-CB 3.46Å; R603-E699 PolarHBondContact O-N 2.61Å
604	G	64.5	Low	53.8	Low	21 Å²	21	91.1 Å²	91.1	22%	0.216	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	162.2	-176.8	0	0	0	0	0	110.1	P602 F696 V697	P602-G604 PolarHBondContact O-N 2.99Å; G604-F696 VanDerWaalsContact C-CE2 3.49Å; G604-V697 CarbonylContact C-O 3.57Å; G604-V697 WeakPolarHBondContact CA-O 3.44Å
605	K	79	Confident	56.7	Low	87 Å²	87	87 Å²	87	38%	0.378	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.8	178.8	-73.5	177.9	176.4	-76	0	109.4	M614 F615 D616 V697	K605-M614 HydrophobicContact CB-CE 3.5Å; K605-M614 VanDerWaalsContact CB-CE 3.5Å; K605-M614 HydrophobicContact CD-CB 4.31Å; K605-F615 CarbonylContact C-O 3.56Å; K605-F615 WeakPolarHBondContact CA-O 3.28Å; K605-D616 IonicContact NZ-OD1 2.72Å; K605-D616 PolarHBondContact NZ-OD1 2.81Å; K605-D616 IonicContact NZ-OD2 3.46Å; K605-D616 PolarHBondContact NZ-OD2 3.03Å; K605-V697 PolarHBondContact N-O 3.07Å; K605-V697 WeakPolarHBondContact O-CB 3.47Å; K605-V697 PolarHBondContact O-N 2.68Å
606	W	80.6	Confident	59.1	Low	50 Å²	50	85.2 Å²	85.2	19%	0.189	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.2	176.7	-68.8	88.4	0	0	0	110.3	M614 F615 Q618 V621 Y694 V695 F696	W606-M614 CarbonylContact O-C 3.56Å; W606-M614 WeakPolarHBondContact O-CA 3.5Å; W606-F615 HydrophobicContact CB-CB 4.45Å; W606-F615 PolarHBondContact N-O 3.46Å; W606-F615 PolarHBondContact O-N 2.84Å; W606-Q618 HydrophobicContact CD2-CB 3.99Å; W606-Q618 HydrophobicContact CD2-CG 4.12Å; W606-Q618 HydrophobicContact CE3-CB 4.42Å; W606-Q618 HydrophobicContact CE3-CG 4.03Å; W606-Q618 HydrophobicContact CH2-CB 4.08Å; W606-Q618 HydrophobicContact CH2-CG 3.66Å; W606-Q618 VanDerWaalsContact CH2-OE1 3.23Å; W606-Q618 HydrophobicContact CZ2-CB 3.62Å; W606-Q618 HydrophobicContact CZ2-CG 3.77Å; W606-Q618 HydrophobicContact CZ3-CB 4.45Å; W606-Q618 HydrophobicContact CZ3-CG 3.8Å; W606-V621 HydrophobicContact CB-CB 3.98Å; W606-V621 HydrophobicContact CB-CG1 3.66Å; W606-V621 HydrophobicContact CD2-CG1 4.39Å; W606-V621 HydrophobicContact CE3-CG1 4.3Å; W606-V621 HydrophobicContact CG-CG1 4.17Å; W606-Y694 AromaticContact CE3-CD2 3.64Å; W606-Y694 HydrophobicContact CE3-CD2 3.64Å; W606-Y694 AromaticContact CE3-CE2 3.92Å; W606-Y694 HydrophobicContact CE3-CE2 3.92Å; W606-Y694 AromaticContact CZ3-CD2 3.77Å; W606-Y694 HydrophobicContact CZ3-CD2 3.77Å; W606-Y694 AromaticContact CZ3-CE2 3.7Å; W606-Y694 HydrophobicContact CZ3-CE2 3.7Å; W606-V695 CarbonylContact C-O 3.53Å; W606-V695 WeakPolarHBondContact CA-O 3.29Å; W606-F696 AromaticContact CD1-CD2 3.8Å; W606-F696 HydrophobicContact CD2-CB 4.02Å; W606-F696 AromaticContact CD2-CD2 3.79Å; W606-F696 HydrophobicContact CD2-CD2 3.79Å; W606-F696 HydrophobicContact CD2-CG 4.38Å; W606-F696 AromaticContact CE2-CD2 3.46Å; W606-F696 VanDerWaalsContact CE2-CD2 3.46Å; W606-F696 HydrophobicContact CE3-CB 3.84Å; W606-F696 HydrophobicContact CE3-CD2 4.48Å; W606-F696 HydrophobicContact CG-CD2 4.01Å; W606-F696 HydrophobicContact CH2-CB 3.85Å; W606-F696 HydrophobicContact CH2-CG 4.49Å; W606-F696 HydrophobicContact CZ2-CB 4Å; W606-F696 AromaticContact CZ2-CD2 3.93Å; W606-F696 HydrophobicContact CZ2-CD2 3.93Å; W606-F696 HydrophobicContact CZ2-CG 4.16Å; W606-F696 HydrophobicContact CZ3-CB 3.77Å; W606-F696 AromaticContact NE1-CD2 3.46Å; W606-F696 AromaticContact NE1-CE2 3.83Å
607	Q	74.1	Confident	61.6	Low	33 Å²	33	81 Å²	81	15%	0.154	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.3	177.8	-171.1	165.6	41.9	0	0	111.1	E612 D613 M614 Y694 V695 V697	Q607-E612 PolarHBondContact NE2-O 3.13Å; Q607-D613 WeakPolarHBondContact CA-O 3.21Å; Q607-M614 HydrophobicContact CB-CE 3.94Å; Q607-M614 HydrophobicContact CB-SD 3.51Å; Q607-M614 VanDerWaalsContact CB-SD 3.51Å; Q607-M614 HydrophobicContact CG-SD 3.51Å; Q607-M614 VanDerWaalsContact CG-SD 3.51Å; Q607-Y694 CarbonylContact O-C 3.54Å; Q607-Y694 WeakPolarHBondContact O-CA 3.34Å; Q607-Y694 VanDerWaalsContact O-CB 3.3Å; Q607-Y694 WeakPolarHBondContact O-CB 3.08Å; Q607-V695 HydrophobicContact CB-CG1 4.11Å; Q607-V695 PolarHBondContact N-O 3.35Å; Q607-V695 PolarHBondContact O-N 3.2Å; Q607-V697 HydrophobicContact CB-CG2 4Å
608	C	78.6	Confident	64.2	Low	0 Å²	0	76.4 Å²	76.4	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.6	166.9	174.9	0	0	0	0	110	I610 C611 E612 D613 F615 V621 H624 H631	C608-I610 VanDerWaalsContact C-N 3.28Å; C608-I610 PolarHBondContact O-N 3.5Å; C608-I610 PolarHBondContact SG-N 2.92Å; C608-C611 VanDerWaalsContact CB-SG 3.58Å; C608-E612 WeakPolarHBondContact O-CA 3.45Å; C608-E612 PolarHBondContact O-N 2.92Å; C608-D613 PolarHBondContact N-O 3.2Å; C608-F615 HydrophobicContact CB-CE2 4.06Å; C608-V621 HydrophobicContact CB-CG2 3.9Å; C608-H624 VanDerWaalsContact SG-CD2 3.54Å; C608-H624 PolarHBondContact SG-NE2 2.8Å; C608-H631 PolarHBondContact SG-NE2 2.77Å; C608-H631 VanDerWaalsContact SG-NE2 3.43Å
609	R	69.9	Low	66.7	Low	113 Å²	113	77.7 Å²	77.7	43%	0.426	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.8	175.8	-59.5	174.5	-175.4	168.4	1.9	112.8	L515 R519 D693 Y694	L515-R609 WeakPolarHBondContact CD2-O 3.36Å; R519-R609 PolarHBondContact NH2-O 3.27Å; R609-D693 HydrophobicContact CB-CB 4.21Å; R609-D693 VanDerWaalsContact CB-O 3.27Å; R609-D693 WeakPolarHBondContact CB-O 3.31Å; R609-D693 PolarHBondContact N-O 3.29Å; R609-D693 IonicContact NH1-OD1 3.13Å; R609-Y694 PolarHBondContact NE-O 3.03Å; R609-Y694 PolarHBondContact NH2-O 2.75Å
610	I	67.9	Low	69	Low	16 Å²	16	77.3 Å²	77.3	8%	0.082	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-16.6	-176.7	-51.7	170.7	0	0	0	112.5	R519 C608 H631 L671 H690 D693	R519-I610 VanDerWaalsContact CZ-O 3.32Å; R519-I610 PolarHBondContact NE-O 3.42Å; R519-I610 PolarHBondContact NH2-O 2.75Å; C608-I610 VanDerWaalsContact C-N 3.28Å; C608-I610 PolarHBondContact O-N 3.5Å; C608-I610 PolarHBondContact SG-N 2.92Å; I610-H631 VanDerWaalsContact CB-CE1 3.49Å; I610-H631 WeakPolarHBondContact CB-CE1 3.43Å; I610-H631 WeakPolarHBondContact CB-NE2 3.41Å; I610-H631 HydrophobicContact CG2-CB 3.87Å; I610-H631 WeakPolarHBondContact CG2-ND1 3.35Å; I610-L671 HydrophobicContact CD1-CD1 3.94Å; I610-L671 HydrophobicContact CG1-CD1 4.29Å; I610-L671 HydrophobicContact CG2-CD1 4.06Å; I610-L671 HydrophobicContact CG2-CD2 4.08Å; I610-H690 HydrophobicContact CD1-CB 4.05Å; I610-H690 WeakPolarHBondContact CD1-O 3.45Å; I610-D693 HydrophobicContact CD1-CB 3.87Å; I610-D693 HydrophobicContact CG1-CB 3.83Å
611	C	66.8	Low	71.3	Confident	35 Å²	35	71.7 Å²	71.7	24%	0.236	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-10.2	170.6	64.6	0	0	0	0	116.7	C608 D613 H624	C608-C611 VanDerWaalsContact CB-SG 3.58Å; C611-D613 VanDerWaalsContact C-N 3.32Å; C611-D613 WeakPolarHBondContact SG-CB 3.4Å; C611-D613 PolarHBondContact SG-N 3.47Å; C611-D613 PolarHBondContact SG-OD2 3.09Å; C611-H624 VanDerWaalsContact SG-CE1 3.51Å; C611-H624 PolarHBondContact SG-NE2 2.9Å
612	E	68.1	Low	73.3	Confident	74 Å²	74	71.5 Å²	71.5	35%	0.346	34%	0.34	S	S	.	.			trans	73.2	1.6	-169.8	-68.3	160.3	-113.1	0	0	116.9	R519 Q607 C608	R519-E612 IonicContact CZ-OE1 3.79Å; R519-E612 IonicContact NH1-OE1 3.37Å; R519-E612 PolarHBondContact NH1-OE1 2.88Å; Q607-E612 PolarHBondContact NE2-O 3.13Å; C608-E612 WeakPolarHBondContact O-CA 3.45Å; C608-E612 PolarHBondContact O-N 2.92Å
613	D	70	Confident	74.9	Confident	83 Å²	83	72.8 Å²	72.8	44%	0.444	34%	0.337	S	S	.	.			trans	-60	147.8	174.8	-68.1	-35.8	0	0	0	112.8	Q607 C608 C611 F615 H624	Q607-D613 WeakPolarHBondContact CA-O 3.21Å; C608-D613 PolarHBondContact N-O 3.2Å; C611-D613 VanDerWaalsContact C-N 3.32Å; C611-D613 WeakPolarHBondContact SG-CB 3.4Å; C611-D613 PolarHBondContact SG-N 3.47Å; C611-D613 PolarHBondContact SG-OD2 3.09Å; D613-F615 HydrophobicContact CB-CE2 3.59Å; D613-F615 HydrophobicContact CB-CZ 3.71Å; D613-F615 WeakPolarHBondContact O-CE2 3.36Å; D613-H624 IonicContact OD2-CE1 3.16Å; D613-H624 PolarHBondContact OD2-CE1 2.92Å
614	M	76.9	Confident	76.1	Confident	81 Å²	81	65.8 Å²	65.8	40%	0.399	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130	-175.2	-57.1	-61.8	-55.8	0	0	112	K605 W606 Q607 V697	K605-M614 HydrophobicContact CB-CE 3.5Å; K605-M614 VanDerWaalsContact CB-CE 3.5Å; K605-M614 HydrophobicContact CD-CB 4.31Å; W606-M614 CarbonylContact O-C 3.56Å; W606-M614 WeakPolarHBondContact O-CA 3.5Å; Q607-M614 HydrophobicContact CB-CE 3.94Å; Q607-M614 HydrophobicContact CB-SD 3.51Å; Q607-M614 VanDerWaalsContact CB-SD 3.51Å; Q607-M614 HydrophobicContact CG-SD 3.51Å; Q607-M614 VanDerWaalsContact CG-SD 3.51Å; M614-V697 HydrophobicContact CE-CB 4.26Å; M614-V697 HydrophobicContact CE-CG2 4.25Å
615	F	82.6	Confident	76.7	Confident	41 Å²	41	64.8 Å²	64.8	18%	0.18	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.8	-176.6	-57	-89.8	0	0	0	111.5	K605 W606 C608 D613 V621 H624	K605-F615 CarbonylContact C-O 3.56Å; K605-F615 WeakPolarHBondContact CA-O 3.28Å; W606-F615 HydrophobicContact CB-CB 4.45Å; W606-F615 PolarHBondContact N-O 3.46Å; W606-F615 PolarHBondContact O-N 2.84Å; C608-F615 HydrophobicContact CB-CE2 4.06Å; D613-F615 HydrophobicContact CB-CE2 3.59Å; D613-F615 HydrophobicContact CB-CZ 3.71Å; D613-F615 WeakPolarHBondContact O-CE2 3.36Å; F615-V621 HydrophobicContact CB-CB 4.09Å; F615-V621 HydrophobicContact CD2-CB 3.61Å; F615-V621 HydrophobicContact CD2-CG2 3.54Å; F615-V621 HydrophobicContact CE2-CB 4.37Å; F615-V621 HydrophobicContact CE2-CG2 3.95Å; F615-V621 HydrophobicContact CG-CB 3.95Å; F615-V621 HydrophobicContact CG-CG2 4.38Å; F615-H624 HydrophobicContact CE1-CB 4.01Å; F615-H624 HydrophobicContact CE2-CB 4.32Å; F615-H624 AromaticContact CE2-CD2 3.87Å; F615-H624 AromaticContact CE2-CG 3.9Å; F615-H624 HydrophobicContact CZ-CB 3.77Å; F615-H624 AromaticContact CZ-CD2 3.79Å; F615-H624 AromaticContact CZ-CE1 3.73Å; F615-H624 AromaticContact CZ-CG 3.37Å; F615-H624 AromaticContact CZ-ND1 3.36Å; F615-H624 WeakPolarHBondContact CZ-ND1 3.43Å; F615-H624 AromaticContact CZ-NE2 4Å
616	D	77.3	Confident	76.5	Confident	120 Å²	120	64.5 Å²	64.5	64%	0.642	30%	0.302	S	S	*	.	S	Bend	trans	-88.8	-4.9	-178.5	-72.9	-68.3	0	0	0	114.5	K605	K605-D616 IonicContact NZ-OD1 2.72Å; K605-D616 PolarHBondContact NZ-OD1 2.81Å; K605-D616 IonicContact NZ-OD2 3.46Å; K605-D616 PolarHBondContact NZ-OD2 3.03Å
617	S	82.3	Confident	76.1	Confident	27 Å²	27	64.4 Å²	64.4	19%	0.189	31%	0.309	C	S	.	.	S	Bend	trans	-141.5	160.6	171.3	111.6	0	0	0	0	112.7	E619 Y620 V621	S617-E619 VanDerWaalsContact C-N 3.3Å; S617-E619 WeakPolarHBondContact CB-OE2 3.3Å; S617-E619 PolarHBondContact OG-N 3.3Å; S617-E619 PolarHBondContact OG-OE2 3.26Å; S617-Y620 WeakPolarHBondContact OG-CD2 3.33Å; S617-Y620 PolarHBondContact OG-N 2.91Å; S617-V621 PolarHBondContact O-N 3.16Å
618	Q	82.5	Confident	75.8	Confident	77 Å²	77	64.7 Å²	64.7	36%	0.36	31%	0.312	S	S	.	.	H	α-helix	trans	-68.7	-33.6	-179.8	-167.7	175.6	-19	0	0	111.5	W606 V621 K622 Y694	W606-Q618 HydrophobicContact CD2-CB 3.99Å; W606-Q618 HydrophobicContact CD2-CG 4.12Å; W606-Q618 HydrophobicContact CE3-CB 4.42Å; W606-Q618 HydrophobicContact CE3-CG 4.03Å; W606-Q618 HydrophobicContact CH2-CB 4.08Å; W606-Q618 HydrophobicContact CH2-CG 3.66Å; W606-Q618 VanDerWaalsContact CH2-OE1 3.23Å; W606-Q618 HydrophobicContact CZ2-CB 3.62Å; W606-Q618 HydrophobicContact CZ2-CG 3.77Å; W606-Q618 HydrophobicContact CZ3-CB 4.45Å; W606-Q618 HydrophobicContact CZ3-CG 3.8Å; Q618-V621 VanDerWaalsContact O-CG1 3.24Å; Q618-V621 WeakPolarHBondContact O-CG1 3.44Å; Q618-K622 VanDerWaalsContact O-CB 3.24Å; Q618-K622 WeakPolarHBondContact O-CB 3.22Å; Q618-K622 PolarHBondContact O-N 3.49Å; Q618-Y694 HydrophobicContact CG-CE2 3.69Å; Q618-Y694 PolarHBondContact NE2-OH 3.18Å; Q618-Y694 VanDerWaalsContact NE2-OH 3.07Å
619	E	79.7	Confident	75.1	Confident	118 Å²	118	69 Å²	69	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-67.4	-43.8	-177.6	-61	64	-139.1	0	0	110.3	S617 K622 Q623	S617-E619 VanDerWaalsContact C-N 3.3Å; S617-E619 WeakPolarHBondContact CB-OE2 3.3Å; S617-E619 PolarHBondContact OG-N 3.3Å; S617-E619 PolarHBondContact OG-OE2 3.26Å; E619-K622 PolarHBondContact O-N 3.01Å; E619-Q623 WeakPolarHBondContact O-CB 3.35Å; E619-Q623 WeakPolarHBondContact O-CG 3.36Å; E619-Q623 PolarHBondContact O-N 3.1Å
620	Y	80.8	Confident	74.8	Confident	152 Å²	152	65.5 Å²	65.5	60%	0.596	34%	0.34	S	S	*	.	H	α-helix	trans	-65.5	-46	176.1	-75	-69.3	0	0	0	112.5	S617 K622 Q623 H624	S617-Y620 WeakPolarHBondContact OG-CD2 3.33Å; S617-Y620 PolarHBondContact OG-N 2.91Å; Y620-K622 VanDerWaalsContact C-N 3.28Å; Y620-K622 PolarHBondContact O-N 2.86Å; Y620-Q623 PolarHBondContact O-N 3.43Å; Y620-H624 VanDerWaalsContact O-CB 3.3Å; Y620-H624 WeakPolarHBondContact O-CB 3.25Å; Y620-H624 PolarHBondContact O-N 3.15Å
621	V	78.7	Confident	74.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-36.2	175.7	73.9	0	0	0	0	111.2	W606 C608 F615 S617 Q618 H624 C625 Y694	W606-V621 HydrophobicContact CB-CB 3.98Å; W606-V621 HydrophobicContact CB-CG1 3.66Å; W606-V621 HydrophobicContact CD2-CG1 4.39Å; W606-V621 HydrophobicContact CE3-CG1 4.3Å; W606-V621 HydrophobicContact CG-CG1 4.17Å; C608-V621 HydrophobicContact CB-CG2 3.9Å; F615-V621 HydrophobicContact CB-CB 4.09Å; F615-V621 HydrophobicContact CD2-CB 3.61Å; F615-V621 HydrophobicContact CD2-CG2 3.54Å; F615-V621 HydrophobicContact CE2-CB 4.37Å; F615-V621 HydrophobicContact CE2-CG2 3.95Å; F615-V621 HydrophobicContact CG-CB 3.95Å; F615-V621 HydrophobicContact CG-CG2 4.38Å; S617-V621 PolarHBondContact O-N 3.16Å; Q618-V621 VanDerWaalsContact O-CG1 3.24Å; Q618-V621 WeakPolarHBondContact O-CG1 3.44Å; V621-H624 PolarHBondContact O-N 3.22Å; V621-C625 WeakPolarHBondContact O-CB 3.5Å; V621-C625 PolarHBondContact O-N 3.25Å; V621-C625 PolarHBondContact O-SG 2.83Å; V621-Y694 HydrophobicContact CB-CG 4.48Å; V621-Y694 HydrophobicContact CG1-CD1 3.87Å; V621-Y694 HydrophobicContact CG1-CD2 3.7Å; V621-Y694 HydrophobicContact CG1-CE1 4.28Å; V621-Y694 HydrophobicContact CG1-CE2 4.12Å; V621-Y694 HydrophobicContact CG1-CG 3.56Å; V621-Y694 HydrophobicContact CG2-CD1 4.38Å; V621-Y694 HydrophobicContact CG2-CG 4.08Å
622	K	80.4	Confident	74.7	Confident	92 Å²	92	74 Å²	74	40%	0.4	37%	0.373	S	S	.	.	H	α-helix	trans	-66.2	-45.8	177.4	-174.3	-179.4	178.7	-175.6	0	111.7	Q618 E619 Y620 H624 C625 M626 Y694	Q618-K622 VanDerWaalsContact O-CB 3.24Å; Q618-K622 WeakPolarHBondContact O-CB 3.22Å; Q618-K622 PolarHBondContact O-N 3.49Å; E619-K622 PolarHBondContact O-N 3.01Å; Y620-K622 VanDerWaalsContact C-N 3.28Å; Y620-K622 PolarHBondContact O-N 2.86Å; K622-H624 VanDerWaalsContact C-N 3.33Å; K622-H624 PolarHBondContact O-N 3.46Å; K622-C625 PolarHBondContact O-N 3.15Å; K622-M626 HydrophobicContact CD-SD 4.46Å; K622-M626 HydrophobicContact CG-CG 4.43Å; K622-M626 HydrophobicContact CG-SD 4.02Å; K622-M626 WeakPolarHBondContact O-CB 3.21Å; K622-M626 VanDerWaalsContact O-CG 3.26Å; K622-M626 WeakPolarHBondContact O-CG 3.37Å; K622-M626 PolarHBondContact O-N 3.33Å; K622-Y694 HydrophobicContact CB-CE1 3.78Å; K622-Y694 HydrophobicContact CG-CE1 4.06Å
623	Q	78.6	Confident	74.7	Confident	132 Å²	132	71.7 Å²	71.7	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-60.8	-42.8	175	-76.3	178.7	-19.7	0	0	111.5	E619 Y620 M626 S627	E619-Q623 WeakPolarHBondContact O-CB 3.35Å; E619-Q623 WeakPolarHBondContact O-CG 3.36Å; E619-Q623 PolarHBondContact O-N 3.1Å; Y620-Q623 PolarHBondContact O-N 3.43Å; Q623-M626 PolarHBondContact O-N 3.37Å; Q623-S627 PolarHBondContact O-N 3.35Å
624	H	79.5	Confident	74.5	Confident	29 Å²	29	71.6 Å²	71.6	13%	0.134	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-41.5	173.3	166.7	98.2	0	0	0	112.4	C608 C611 D613 F615 Y620 V621 K622 S627 S630 H631	C608-H624 VanDerWaalsContact SG-CD2 3.54Å; C608-H624 PolarHBondContact SG-NE2 2.8Å; C611-H624 VanDerWaalsContact SG-CE1 3.51Å; C611-H624 PolarHBondContact SG-NE2 2.9Å; D613-H624 IonicContact OD2-CE1 3.16Å; D613-H624 PolarHBondContact OD2-CE1 2.92Å; F615-H624 HydrophobicContact CE1-CB 4.01Å; F615-H624 HydrophobicContact CE2-CB 4.32Å; F615-H624 AromaticContact CE2-CD2 3.87Å; F615-H624 AromaticContact CE2-CG 3.9Å; F615-H624 HydrophobicContact CZ-CB 3.77Å; F615-H624 AromaticContact CZ-CD2 3.79Å; F615-H624 AromaticContact CZ-CE1 3.73Å; F615-H624 AromaticContact CZ-CG 3.37Å; F615-H624 AromaticContact CZ-ND1 3.36Å; F615-H624 WeakPolarHBondContact CZ-ND1 3.43Å; F615-H624 AromaticContact CZ-NE2 4Å; Y620-H624 VanDerWaalsContact O-CB 3.3Å; Y620-H624 WeakPolarHBondContact O-CB 3.25Å; Y620-H624 PolarHBondContact O-N 3.15Å; V621-H624 PolarHBondContact O-N 3.22Å; K622-H624 VanDerWaalsContact C-N 3.33Å; K622-H624 PolarHBondContact O-N 3.46Å; H624-S627 PolarHBondContact O-N 3.39Å; H624-S630 PolarHBondContact O-OG 2.95Å; H624-H631 AromaticContact CD2-NE2 3.77Å; H624-H631 AromaticContact NE2-NE2 3.3Å; H624-H631 PolarHBondContact NE2-NE2 2.98Å
625	C	77.4	Confident	74.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-37.4	177.6	-70.8	0	0	0	0	113	V621 K622 S627 Y686 S691 Y694	V621-C625 WeakPolarHBondContact O-CB 3.5Å; V621-C625 PolarHBondContact O-N 3.25Å; V621-C625 PolarHBondContact O-SG 2.83Å; K622-C625 PolarHBondContact O-N 3.15Å; C625-S627 VanDerWaalsContact C-N 3.3Å; C625-Y686 WeakPolarHBondContact O-CE1 3.45Å; C625-Y686 PolarHBondContact O-OH 3.2Å; C625-S691 WeakPolarHBondContact CB-O 3.41Å; C625-Y694 HydrophobicContact CB-CD1 4.45Å
626	M	73	Confident	74.2	Confident	81 Å²	81	69.6 Å²	69.6	40%	0.399	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-30.5	174.4	-72.3	175.4	68.3	0	0	112.3	K622 Q623 L628	K622-M626 HydrophobicContact CD-SD 4.46Å; K622-M626 HydrophobicContact CG-CG 4.43Å; K622-M626 HydrophobicContact CG-SD 4.02Å; K622-M626 WeakPolarHBondContact O-CB 3.21Å; K622-M626 VanDerWaalsContact O-CG 3.26Å; K622-M626 WeakPolarHBondContact O-CG 3.37Å; K622-M626 PolarHBondContact O-N 3.33Å; Q623-M626 PolarHBondContact O-N 3.37Å; M626-L628 PolarHBondContact O-N 2.97Å
627	S	73.3	Confident	74.4	Confident	49 Å²	49	64.1 Å²	64.1	34%	0.343	32%	0.317	S	S	.	.			trans	-66.4	125.7	173.8	-173.5	0	0	0	0	111.1	Q623 H624 C625 A629 S630	Q623-S627 PolarHBondContact O-N 3.35Å; H624-S627 PolarHBondContact O-N 3.39Å; C625-S627 VanDerWaalsContact C-N 3.3Å; S627-A629 VanDerWaalsContact C-N 3.26Å; S627-A629 PolarHBondContact OG-N 3.27Å; S627-S630 PolarHBondContact O-OG 3.01Å
628	L	67.2	Low	74.4	Confident	38 Å²	38	62.9 Å²	62.9	20%	0.199	31%	0.308	C	S	.	.	S	Bend	trans	-81.3	-6.8	171.1	-78.7	153.1	0	0	0	112.8	M626 F633 F682 L683 Y686	M626-L628 PolarHBondContact O-N 2.97Å; L628-F633 HydrophobicContact CD2-CE1 4.15Å; L628-F633 HydrophobicContact CD2-CZ 3.76Å; L628-F682 HydrophobicContact CD2-CE1 4.18Å; L628-F682 HydrophobicContact CD2-CZ 4.15Å; L628-L683 HydrophobicContact CD1-CD2 3.25Å; L628-Y686 HydrophobicContact CD1-CD1 4.23Å; L628-Y686 HydrophobicContact CD2-CD1 3.68Å; L628-Y686 HydrophobicContact CD2-CD2 3.76Å; L628-Y686 HydrophobicContact CD2-CE1 3.65Å; L628-Y686 HydrophobicContact CD2-CE2 3.7Å; L628-Y686 HydrophobicContact CD2-CG 3.75Å; L628-Y686 HydrophobicContact CG-CD1 3.86Å; L628-Y686 HydrophobicContact CG-CE1 3.72Å; L628-Y686 HydrophobicContact CG-CG 4.41Å
629	A	63.8	Low	74.2	Confident	91 Å²	91	60.7 Å²	60.7	75%	0.752	30%	0.303	S	S	*	.	S	Bend	trans	-92.8	-19.4	-179.2	0	0	0	0	0	113.5	S627 H631	S627-A629 VanDerWaalsContact C-N 3.26Å; S627-A629 PolarHBondContact OG-N 3.27Å; A629-H631 VanDerWaalsContact C-N 3.29Å
630	S	63.6	Low	74	Confident	39 Å²	39	58.9 Å²	58.9	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-68.6	-28	174	51.4	0	0	0	0	112.5	H624 S627	H624-S630 PolarHBondContact O-OG 2.95Å; S627-S630 PolarHBondContact O-OG 3.01Å
631	H	68.4	Low	73.8	Confident	13 Å²	13	54 Å²	54	6%	0.06	28%	0.282	C	S	.	.			trans	-112.1	130.5	-170	-53.8	143.9	0	0	0	113.2	C608 I610 H624 A629 F633 Y686	C608-H631 PolarHBondContact SG-NE2 2.77Å; C608-H631 VanDerWaalsContact SG-NE2 3.43Å; I610-H631 VanDerWaalsContact CB-CE1 3.49Å; I610-H631 WeakPolarHBondContact CB-CE1 3.43Å; I610-H631 WeakPolarHBondContact CB-NE2 3.41Å; I610-H631 HydrophobicContact CG2-CB 3.87Å; I610-H631 WeakPolarHBondContact CG2-ND1 3.35Å; H624-H631 AromaticContact CD2-NE2 3.77Å; H624-H631 AromaticContact NE2-NE2 3.3Å; H624-H631 PolarHBondContact NE2-NE2 2.98Å; A629-H631 VanDerWaalsContact C-N 3.29Å; H631-F633 HydrophobicContact CB-CD1 3.75Å; H631-F633 HydrophobicContact CB-CE1 3.94Å; H631-Y686 PolarHBondContact CE1-OH 2.95Å; H631-Y686 PolarHBondContact ND1-OH 3.18Å
632	K	64	Low	73.5	Confident	217 Å²	217	63.4 Å²	63.4	94%	0.943	32%	0.317	S	S	*	.			trans	-100.5	91.2	177.5	-66.5	171.7	-174.8	165.3	0	110.3
633	F	69	Low	73.2	Confident	26 Å²	26	63.3 Å²	63.3	11%	0.114	32%	0.317	C	S	.	.			trans	-131.9	170.9	177.2	65.7	-84.3	0	0	0	112.3	L628 H631 R635 F682 Y686	L628-F633 HydrophobicContact CD2-CE1 4.15Å; L628-F633 HydrophobicContact CD2-CZ 3.76Å; H631-F633 HydrophobicContact CB-CD1 3.75Å; H631-F633 HydrophobicContact CB-CE1 3.94Å; F633-R635 PolarHBondContact O-N 2.98Å; F633-F682 HydrophobicContact CE2-CE2 4.27Å; F633-F682 AromaticContact CE2-CZ 3.99Å; F633-F682 HydrophobicContact CE2-CZ 3.99Å; F633-F682 HydrophobicContact CZ-CZ 4.07Å; F633-Y686 AromaticContact CE1-CE2 3.95Å; F633-Y686 HydrophobicContact CE1-CE2 3.95Å; F633-Y686 AromaticContact CZ-CD2 3.97Å; F633-Y686 HydrophobicContact CZ-CD2 3.97Å; F633-Y686 AromaticContact CZ-CE2 3.7Å; F633-Y686 HydrophobicContact CZ-CE2 3.7Å
634	H	64.8	Low	73	Confident	81 Å²	81	60 Å²	60	38%	0.375	31%	0.307	S	S	.	.			trans	-75	115.6	175.9	-70.7	-109.9	0	0	0	109.7	P644 F645 F668 G670	H634-P644 HydrophobicContact CB-CB 4.36Å; H634-P644 PolarHBondContact ND1-O 2.67Å; H634-F645 PolarHBondContact ND1-N 2.79Å; H634-F668 HydrophobicContact CB-CD1 3.89Å; H634-F668 HydrophobicContact CB-CE1 3.94Å; H634-F668 WeakPolarHBondContact O-CD1 3.4Å; H634-G670 PolarHBondContact O-N 3.28Å; H634-G670 VanDerWaalsContact O-N 3.14Å
635	R	75.3	Confident	72.9	Confident	43 Å²	43	60.2 Å²	60.2	16%	0.162	31%	0.307	C	S	.	.			trans	-108.7	-25.7	-178.2	175.5	172.6	176.6	151.1	-2.5	113.5	F633 F645 Y667 F668 E679 F682	F633-R635 PolarHBondContact O-N 2.98Å; R635-F645 PolarHBondContact N-O 3.04Å; R635-Y667 CarbonylContact O-C 3.55Å; R635-Y667 WeakPolarHBondContact O-CA 3.47Å; R635-F668 CarbonylContact C-O 3.6Å; R635-F668 VanDerWaalsContact CA-O 3.27Å; R635-F668 WeakPolarHBondContact CA-O 3.43Å; R635-F668 PolarHBondContact O-N 3.29Å; R635-E679 IonicContact CZ-OE1 3.93Å; R635-E679 IonicContact NE-OE1 2.63Å; R635-E679 IonicContact NH2-OE1 3.47Å; R635-E679 PolarHBondContact NH2-OE1 3.18Å; R635-F682 HydrophobicContact CG-CE1 3.9Å; R635-F682 HydrophobicContact CG-CZ 3.94Å
636	Y	79	Confident	72.7	Confident	36 Å²	36	65.2 Å²	65.2	14%	0.141	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	153.2	-171	-51.3	-79.5	0	0	0	110.5	P644 F645 I648 I665 K666 Y667	Y636-P644 CarbonylContact O-C 3.49Å; Y636-P644 WeakPolarHBondContact O-CA 3.42Å; Y636-F645 PolarHBondContact N-O 2.85Å; Y636-F645 PolarHBondContact O-N 2.71Å; Y636-I648 HydrophobicContact CD1-CB 4.32Å; Y636-I648 HydrophobicContact CD1-CD1 4.42Å; Y636-I648 HydrophobicContact CD1-CG1 4.19Å; Y636-I648 HydrophobicContact CD2-CB 4.28Å; Y636-I648 HydrophobicContact CE1-CB 4.05Å; Y636-I648 HydrophobicContact CE1-CD1 3.99Å; Y636-I648 HydrophobicContact CE1-CG1 4.1Å; Y636-I648 HydrophobicContact CE2-CB 4.01Å; Y636-I648 HydrophobicContact CG-CB 4.43Å; Y636-I665 HydrophobicContact CD1-CG2 4.34Å; Y636-K666 CarbonylContact C-O 3.56Å; Y636-Y667 HydrophobicContact CD1-CD1 4.38Å; Y636-Y667 HydrophobicContact CD1-CE1 4.22Å; Y636-Y667 HydrophobicContact CE1-CD1 4.42Å; Y636-Y667 HydrophobicContact CE1-CE1 4.01Å
637	S	82.2	Confident	72.9	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148.6	174.2	61.4	0	0	0	0	110.9	K643 K666	S637-K643 WeakPolarHBondContact CA-O 3.17Å; S637-K666 PolarHBondContact N-O 3.28Å; S637-K666 PolarHBondContact O-N 2.94Å; S637-K666 WeakPolarHBondContact OG-CB 3.48Å; S637-K666 PolarHBondContact OG-O 3.43Å
638	C	82	Confident	73.1	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126	176.3	176.9	0	0	0	0	110.8	H640 R642 K643 F645 L651 H659	C638-H640 PolarHBondContact O-N 3.43Å; C638-H640 PolarHBondContact SG-N 3.4Å; C638-H640 VanDerWaalsContact SG-N 3.37Å; C638-R642 WeakPolarHBondContact O-CA 3.41Å; C638-R642 PolarHBondContact O-N 2.86Å; C638-K643 PolarHBondContact N-O 3.2Å; C638-K643 VanDerWaalsContact N-O 3.08Å; C638-F645 HydrophobicContact CB-CE2 4.36Å; C638-L651 HydrophobicContact CB-CD1 3.61Å; C638-H659 PolarHBondContact SG-CD2 3.26Å; C638-H659 PolarHBondContact SG-NE2 3.29Å
639	A	77.6	Confident	73.7	Confident	31 Å²	31	69.9 Å²	69.9	26%	0.256	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.9	177.7	0	0	0	0	0	113.4	K664 K666	A639-K664 HydrophobicContact CB-CB 3.69Å; A639-K664 WeakPolarHBondContact CB-O 3.41Å; A639-K664 PolarHBondContact N-O 2.9Å; A639-K666 HydrophobicContact CB-CD 4.21Å; A639-K666 HydrophobicContact CB-CG 4.06Å
640	H	74.9	Confident	74.5	Confident	79 Å²	79	67 Å²	67	37%	0.366	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-50.3	-175.4	-63.2	-120.9	0	0	0	112	C638 E662	C638-H640 PolarHBondContact O-N 3.43Å; C638-H640 PolarHBondContact SG-N 3.4Å; C638-H640 VanDerWaalsContact SG-N 3.37Å; H640-E662 IonicContact CE1-OE2 2.68Å; H640-E662 PolarHBondContact CE1-OE2 3.02Å; H640-E662 VanDerWaalsContact CE1-OE2 3.24Å; H640-E662 IonicContact NE2-OE2 3.55Å
641	C	76.2	Confident	75.5	Confident	49 Å²	49	65.2 Å²	65.2	33%	0.331	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-6.8	-175.7	75.6	0	0	0	0	115.1	K643 H654	C641-K643 PolarHBondContact O-N 3.13Å; C641-K643 WeakPolarHBondContact SG-CG 3.27Å; C641-K643 PolarHBondContact SG-N 3.07Å; C641-H654 PolarHBondContact SG-NE2 3.19Å
642	R	73.8	Confident	76	Confident	198 Å²	198	68.4 Å²	68.4	75%	0.747	32%	0.317	S	S	*	.			trans	61.7	12.2	-177.9	-50.4	-174.8	-172.6	-172.2	2.3	116.6	C638	C638-R642 WeakPolarHBondContact O-CA 3.41Å; C638-R642 PolarHBondContact O-N 2.86Å
643	K	74.7	Confident	76.9	Confident	90 Å²	90	65 Å²	65	39%	0.391	30%	0.298	S	S	.	.			trans	-57.7	131.2	168.9	-70.5	173.2	-175.1	176.3	0	109.9	S637 C638 C641 F645 E658	S637-K643 WeakPolarHBondContact CA-O 3.17Å; C638-K643 PolarHBondContact N-O 3.2Å; C638-K643 VanDerWaalsContact N-O 3.08Å; C641-K643 PolarHBondContact O-N 3.13Å; C641-K643 WeakPolarHBondContact SG-CG 3.27Å; C641-K643 PolarHBondContact SG-N 3.07Å; K643-F645 HydrophobicContact CB-CE2 3.65Å; K643-F645 HydrophobicContact CB-CZ 3.82Å; K643-F645 VanDerWaalsContact O-CD2 3.26Å; K643-F645 WeakPolarHBondContact O-CD2 3.41Å; K643-F645 WeakPolarHBondContact O-CE2 3.42Å; K643-E658 IonicContact NZ-OE1 3.9Å; K643-E658 IonicContact NZ-OE2 2.89Å; K643-E658 PolarHBondContact NZ-OE2 3.3Å
644	P	73.8	Confident	77.6	Confident	63 Å²	63	64.5 Å²	64.5	41%	0.409	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.7	178.5	35.2	-33.9	0	0	0	112.8	H634 Y636 F668	H634-P644 HydrophobicContact CB-CB 4.36Å; H634-P644 PolarHBondContact ND1-O 2.67Å; Y636-P644 CarbonylContact O-C 3.49Å; Y636-P644 WeakPolarHBondContact O-CA 3.42Å; P644-F668 HydrophobicContact CB-CD1 4.1Å; P644-F668 HydrophobicContact CB-CE1 4.17Å
645	F	76.9	Confident	78.3	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.2	-173.3	-62.2	-87.8	0	0	0	111.8	H634 R635 Y636 C638 K643 L651 H654	H634-F645 PolarHBondContact ND1-N 2.79Å; R635-F645 PolarHBondContact N-O 3.04Å; Y636-F645 PolarHBondContact N-O 2.85Å; Y636-F645 PolarHBondContact O-N 2.71Å; C638-F645 HydrophobicContact CB-CE2 4.36Å; K643-F645 HydrophobicContact CB-CE2 3.65Å; K643-F645 HydrophobicContact CB-CZ 3.82Å; K643-F645 VanDerWaalsContact O-CD2 3.26Å; K643-F645 WeakPolarHBondContact O-CD2 3.41Å; K643-F645 WeakPolarHBondContact O-CE2 3.42Å; F645-L651 HydrophobicContact CB-CB 4.18Å; F645-L651 HydrophobicContact CD2-CB 3.9Å; F645-L651 HydrophobicContact CD2-CD1 3.78Å; F645-L651 HydrophobicContact CD2-CG 4.38Å; F645-L651 HydrophobicContact CE2-CD1 3.8Å; F645-L651 HydrophobicContact CG-CB 4Å; F645-H654 HydrophobicContact CE1-CB 3.93Å; F645-H654 HydrophobicContact CE2-CB 4.39Å; F645-H654 AromaticContact CE2-CD2 3.48Å; F645-H654 VanDerWaalsContact CE2-CD2 3.48Å; F645-H654 WeakPolarHBondContact CE2-CD2 3.3Å; F645-H654 HydrophobicContact CZ-CB 3.58Å; F645-H654 AromaticContact CZ-CD2 3.3Å; F645-H654 WeakPolarHBondContact CZ-CD2 3.39Å; F645-H654 AromaticContact CZ-CG 3.46Å; F645-H654 VanDerWaalsContact CZ-CG 3.46Å
646	H	72.5	Confident	78.5	Confident	106 Å²	106	63.4 Å²	63.4	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-86.1	-9.7	176.5	66.5	-91	0	0	0	113.2
647	K	78.2	Confident	78.5	Confident	113 Å²	113	67.1 Å²	67.1	49%	0.491	32%	0.315	S	S	.	.	S	Bend	trans	-144.6	131.3	-172.6	-102.4	-177.9	-176.1	-171.4	0	111.1	E649 T650 L651	K647-E649 WeakPolarHBondContact CB-OE2 3.28Å; K647-E649 WeakPolarHBondContact CG-OE2 3.13Å; K647-E649 PolarHBondContact O-N 2.71Å; K647-T650 HydrophobicContact CB-CG2 4Å; K647-T650 PolarHBondContact O-N 2.65Å; K647-T650 PolarHBondContact O-OG1 3Å; K647-L651 PolarHBondContact O-N 3.17Å
648	I	77.9	Confident	78.3	Confident	41 Å²	41	72.1 Å²	72.1	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-32.5	-175.3	-160.8	171.7	0	0	0	111.6	Y636 T650 L651 Y652 I665	Y636-I648 HydrophobicContact CD1-CB 4.32Å; Y636-I648 HydrophobicContact CD1-CD1 4.42Å; Y636-I648 HydrophobicContact CD1-CG1 4.19Å; Y636-I648 HydrophobicContact CD2-CB 4.28Å; Y636-I648 HydrophobicContact CE1-CB 4.05Å; Y636-I648 HydrophobicContact CE1-CD1 3.99Å; Y636-I648 HydrophobicContact CE1-CG1 4.1Å; Y636-I648 HydrophobicContact CE2-CB 4.01Å; Y636-I648 HydrophobicContact CG-CB 4.43Å; I648-T650 VanDerWaalsContact C-N 3.29Å; I648-T650 PolarHBondContact O-N 2.98Å; I648-L651 WeakPolarHBondContact O-CB 3.47Å; I648-L651 PolarHBondContact O-N 2.99Å; I648-Y652 HydrophobicContact CD1-CE1 4.24Å; I648-Y652 HydrophobicContact CD1-CE2 4.31Å; I648-Y652 WeakPolarHBondContact CD1-OH 3.27Å; I648-Y652 HydrophobicContact CG1-CD1 4.4Å; I648-Y652 HydrophobicContact CG1-CE1 3.82Å; I648-Y652 HydrophobicContact CG1-CE2 4.02Å; I648-Y652 VanDerWaalsContact O-CG 3.28Å; I648-Y652 PolarHBondContact O-N 3.07Å; I648-I665 HydrophobicContact CD1-CD1 4.16Å
649	E	80.1	Confident	78.2	Confident	112 Å²	112	73.7 Å²	73.7	52%	0.523	35%	0.345	S	S	.	.	H	α-helix	trans	-67.6	-30.7	176.8	-43.1	85.7	162.5	0	0	111.9	K647 R653	K647-E649 WeakPolarHBondContact CB-OE2 3.28Å; K647-E649 WeakPolarHBondContact CG-OE2 3.13Å; K647-E649 PolarHBondContact O-N 2.71Å; E649-R653 PolarHBondContact O-N 2.69Å
650	T	80.6	Confident	78	Confident	31 Å²	31	79.7 Å²	79.7	19%	0.19	37%	0.373	C	S	.	.	H	α-helix	trans	-78.1	-30.8	176.4	61.9	0	0	0	0	112.2	K647 I648 H654	K647-T650 HydrophobicContact CB-CG2 4Å; K647-T650 PolarHBondContact O-N 2.65Å; K647-T650 PolarHBondContact O-OG1 3Å; I648-T650 VanDerWaalsContact C-N 3.29Å; I648-T650 PolarHBondContact O-N 2.98Å; T650-H654 WeakPolarHBondContact O-CB 3.34Å; T650-H654 PolarHBondContact O-N 2.61Å; T650-H654 VanDerWaalsContact O-N 3.16Å
651	L	82.8	Confident	77.8	Confident	0 Å²	0	81 Å²	81	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-66.6	-46.2	166.2	171.1	59.7	0	0	0	111.2	C638 F645 K647 I648 R653 H654 C655 I665	C638-L651 HydrophobicContact CB-CD1 3.61Å; F645-L651 HydrophobicContact CB-CB 4.18Å; F645-L651 HydrophobicContact CD2-CB 3.9Å; F645-L651 HydrophobicContact CD2-CD1 3.78Å; F645-L651 HydrophobicContact CD2-CG 4.38Å; F645-L651 HydrophobicContact CE2-CD1 3.8Å; F645-L651 HydrophobicContact CG-CB 4Å; K647-L651 PolarHBondContact O-N 3.17Å; I648-L651 WeakPolarHBondContact O-CB 3.47Å; I648-L651 PolarHBondContact O-N 2.99Å; L651-R653 PolarHBondContact O-N 2.7Å; L651-H654 WeakPolarHBondContact O-CB 3.42Å; L651-H654 PolarHBondContact O-N 2.84Å; L651-H654 VanDerWaalsContact O-N 3.17Å; L651-C655 PolarHBondContact O-N 2.78Å; L651-C655 PolarHBondContact O-SG 2.98Å; L651-I665 HydrophobicContact CD2-CB 4.31Å; L651-I665 HydrophobicContact CD2-CG1 4.14Å; L651-I665 HydrophobicContact CD2-CG2 3.89Å
652	Y	79.6	Confident	77.4	Confident	81 Å²	81	83.6 Å²	83.6	32%	0.318	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-49	178.7	-68.2	-16.7	0	0	0	112	I648 H654 C655 Q656 I663 I665	I648-Y652 HydrophobicContact CD1-CE1 4.24Å; I648-Y652 HydrophobicContact CD1-CE2 4.31Å; I648-Y652 WeakPolarHBondContact CD1-OH 3.27Å; I648-Y652 HydrophobicContact CG1-CD1 4.4Å; I648-Y652 HydrophobicContact CG1-CE1 3.82Å; I648-Y652 HydrophobicContact CG1-CE2 4.02Å; I648-Y652 VanDerWaalsContact O-CG 3.28Å; I648-Y652 PolarHBondContact O-N 3.07Å; Y652-H654 VanDerWaalsContact C-N 3.32Å; Y652-H654 PolarHBondContact O-N 2.81Å; Y652-C655 PolarHBondContact O-N 3.17Å; Y652-C655 VanDerWaalsContact O-N 3.16Å; Y652-Q656 VanDerWaalsContact O-CG 3.24Å; Y652-Q656 WeakPolarHBondContact O-CG 3.25Å; Y652-Q656 PolarHBondContact O-N 3.43Å; Y652-I663 HydrophobicContact CD1-CD1 3.9Å; Y652-I663 HydrophobicContact CD1-CG1 4.29Å; Y652-I663 HydrophobicContact CD1-CG2 3.69Å; Y652-I663 HydrophobicContact CE1-CD1 4.35Å; Y652-I663 HydrophobicContact CE1-CG2 3.5Å; Y652-I663 HydrophobicContact CG-CD1 4.24Å; Y652-I665 HydrophobicContact CE1-CD1 3.84Å; Y652-I665 HydrophobicContact CE1-CG1 4.33Å
653	R	82.9	Confident	77.4	Confident	146 Å²	146	77.7 Å²	77.7	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-57.8	-43.7	174.2	-178.1	174.8	63.6	-154.1	-2.5	111.9	E649 L651 C655 Q656 D657	E649-R653 PolarHBondContact O-N 2.69Å; L651-R653 PolarHBondContact O-N 2.7Å; R653-C655 PolarHBondContact O-N 2.82Å; R653-Q656 WeakPolarHBondContact O-CB 3.32Å; R653-Q656 PolarHBondContact O-N 3.41Å; R653-Q656 VanDerWaalsContact O-N 3.12Å; R653-D657 WeakPolarHBondContact CG-OD2 3.3Å; R653-D657 WeakPolarHBondContact O-CB 3.45Å; R653-D657 PolarHBondContact O-N 2.83Å
654	H	83.1	Confident	77.3	Confident	14 Å²	14	78.4 Å²	78.4	7%	0.065	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-40.1	176.1	161.1	50.7	0	0	0	113.3	C641 F645 T650 L651 Y652 Q656 D657 E658 H659	C641-H654 PolarHBondContact SG-NE2 3.19Å; F645-H654 HydrophobicContact CE1-CB 3.93Å; F645-H654 HydrophobicContact CE2-CB 4.39Å; F645-H654 AromaticContact CE2-CD2 3.48Å; F645-H654 VanDerWaalsContact CE2-CD2 3.48Å; F645-H654 WeakPolarHBondContact CE2-CD2 3.3Å; F645-H654 HydrophobicContact CZ-CB 3.58Å; F645-H654 AromaticContact CZ-CD2 3.3Å; F645-H654 WeakPolarHBondContact CZ-CD2 3.39Å; F645-H654 AromaticContact CZ-CG 3.46Å; F645-H654 VanDerWaalsContact CZ-CG 3.46Å; T650-H654 WeakPolarHBondContact O-CB 3.34Å; T650-H654 PolarHBondContact O-N 2.61Å; T650-H654 VanDerWaalsContact O-N 3.16Å; L651-H654 WeakPolarHBondContact O-CB 3.42Å; L651-H654 PolarHBondContact O-N 2.84Å; L651-H654 VanDerWaalsContact O-N 3.17Å; Y652-H654 VanDerWaalsContact C-N 3.32Å; Y652-H654 PolarHBondContact O-N 2.81Å; H654-Q656 VanDerWaalsContact C-N 3.32Å; H654-D657 PolarHBondContact O-N 2.82Å; H654-E658 IonicContact CE1-OE2 2.75Å; H654-E658 PolarHBondContact CE1-OE2 3.32Å; H654-E658 IonicContact ND1-OE2 2.68Å; H654-E658 PolarHBondContact ND1-OE2 2.87Å; H654-E658 PolarHBondContact O-N 2.8Å; H654-H659 AromaticContact CE1-CD2 3.93Å; H654-H659 AromaticContact CE1-NE2 3.42Å; H654-H659 PolarHBondContact CE1-NE2 3.42Å; H654-H659 AromaticContact NE2-CD2 3.74Å; H654-H659 AromaticContact NE2-NE2 3.32Å; H654-H659 PolarHBondContact NE2-NE2 3.2Å
655	C	81.1	Confident	77.6	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-70.8	-26.9	175	-64.1	0	0	0	0	113.1	L651 Y652 R653 H659 N661 I663	L651-C655 PolarHBondContact O-N 2.78Å; L651-C655 PolarHBondContact O-SG 2.98Å; Y652-C655 PolarHBondContact O-N 3.17Å; Y652-C655 VanDerWaalsContact O-N 3.16Å; R653-C655 PolarHBondContact O-N 2.82Å; C655-H659 HydrophobicContact CB-CB 4.48Å; C655-H659 CarbonylContact O-C 3.53Å; C655-H659 VanDerWaalsContact O-C 3.29Å; C655-H659 WeakPolarHBondContact O-CA 3.16Å; C655-H659 WeakPolarHBondContact O-CB 3.32Å; C655-H659 PolarHBondContact O-N 3.24Å; C655-H659 VanDerWaalsContact O-N 3.17Å; C655-N661 PolarHBondContact O-N 3.41Å; C655-N661 VanDerWaalsContact O-N 3.15Å; C655-I663 HydrophobicContact CB-CG1 4.03Å
656	Q	79.7	Confident	77.8	Confident	102 Å²	102	79.1 Å²	79.1	48%	0.477	37%	0.374	S	S	.	.	H	α-helix	trans	-70.3	-45.8	170.7	-66.3	166.1	-17.9	0	0	110.9	Y652 R653 H654 N661	Y652-Q656 VanDerWaalsContact O-CG 3.24Å; Y652-Q656 WeakPolarHBondContact O-CG 3.25Å; Y652-Q656 PolarHBondContact O-N 3.43Å; R653-Q656 WeakPolarHBondContact O-CB 3.32Å; R653-Q656 PolarHBondContact O-N 3.41Å; R653-Q656 VanDerWaalsContact O-N 3.12Å; H654-Q656 VanDerWaalsContact C-N 3.32Å; Q656-N661 WeakPolarHBondContact CA-OD1 3.02Å; Q656-N661 WeakPolarHBondContact CB-OD1 3.39Å; Q656-N661 VanDerWaalsContact CG-OD1 3.29Å; Q656-N661 WeakPolarHBondContact CG-OD1 3.37Å
657	D	78.1	Confident	78.2	Confident	114 Å²	114	75.4 Å²	75.4	61%	0.61	36%	0.355	S	S	*	.	H	α-helix	trans	-72	-36.5	-176.4	-63.9	-23	0	0	0	113.3	R653 H654	R653-D657 WeakPolarHBondContact CG-OD2 3.3Å; R653-D657 WeakPolarHBondContact O-CB 3.45Å; R653-D657 PolarHBondContact O-N 2.83Å; H654-D657 PolarHBondContact O-N 2.82Å
658	E	76.9	Confident	78.1	Confident	110 Å²	110	71.4 Å²	71.4	51%	0.514	34%	0.338	S	S	.	.	H	α-helix	trans	-123.5	-8.3	-168.7	-58.5	-159.8	149.7	0	0	115.7	K643 H654	K643-E658 IonicContact NZ-OE1 3.9Å; K643-E658 IonicContact NZ-OE2 2.89Å; K643-E658 PolarHBondContact NZ-OE2 3.3Å; H654-E658 IonicContact CE1-OE2 2.75Å; H654-E658 PolarHBondContact CE1-OE2 3.32Å; H654-E658 IonicContact ND1-OE2 2.68Å; H654-E658 PolarHBondContact ND1-OE2 2.87Å; H654-E658 PolarHBondContact O-N 2.8Å
659	H	80.4	Confident	78.1	Confident	35 Å²	35	69.5 Å²	69.5	16%	0.162	33%	0.328	C	S	.	.	S	Bend	trans	-134.6	29.5	-172.1	-59	-30.5	0	0	0	114	C638 H654 C655 N661 E662	C638-H659 PolarHBondContact SG-CD2 3.26Å; C638-H659 PolarHBondContact SG-NE2 3.29Å; H654-H659 AromaticContact CE1-CD2 3.93Å; H654-H659 AromaticContact CE1-NE2 3.42Å; H654-H659 PolarHBondContact CE1-NE2 3.42Å; H654-H659 AromaticContact NE2-CD2 3.74Å; H654-H659 AromaticContact NE2-NE2 3.32Å; H654-H659 PolarHBondContact NE2-NE2 3.2Å; C655-H659 HydrophobicContact CB-CB 4.48Å; C655-H659 CarbonylContact O-C 3.53Å; C655-H659 VanDerWaalsContact O-C 3.29Å; C655-H659 WeakPolarHBondContact O-CA 3.16Å; C655-H659 WeakPolarHBondContact O-CB 3.32Å; C655-H659 PolarHBondContact O-N 3.24Å; C655-H659 VanDerWaalsContact O-N 3.17Å; H659-N661 PolarHBondContact O-N 3.37Å; H659-N661 VanDerWaalsContact O-N 3.1Å; H659-E662 WeakPolarHBondContact O-CB 3.26Å; H659-E662 PolarHBondContact O-N 2.92Å
660	D	73.8	Confident	77.4	Confident	156 Å²	156	65.5 Å²	65.5	83%	0.834	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.5	174.4	-63.5	-42	0	0	0	114.5	E662	D660-E662 VanDerWaalsContact C-N 3.28Å; D660-E662 PolarHBondContact O-N 3.33Å
661	N	71.5	Confident	76.8	Confident	108 Å²	108	66.8 Å²	66.8	58%	0.578	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	10.1	-173	-50.5	-53.2	0	0	0	116.1	C655 Q656 H659 I663	C655-N661 PolarHBondContact O-N 3.41Å; C655-N661 VanDerWaalsContact O-N 3.15Å; Q656-N661 WeakPolarHBondContact CA-OD1 3.02Å; Q656-N661 WeakPolarHBondContact CB-OD1 3.39Å; Q656-N661 VanDerWaalsContact CG-OD1 3.29Å; Q656-N661 WeakPolarHBondContact CG-OD1 3.37Å; H659-N661 PolarHBondContact O-N 3.37Å; H659-N661 VanDerWaalsContact O-N 3.1Å; N661-I663 PolarHBondContact O-N 3.23Å
662	E	66.5	Low	76.3	Confident	102 Å²	102	69.2 Å²	69.2	48%	0.477	34%	0.339	S	S	.	.			trans	-70.8	91.4	170.6	-74.7	-149.8	164.8	0	0	111.3	H640 H659 D660 K664	H640-E662 IonicContact CE1-OE2 2.68Å; H640-E662 PolarHBondContact CE1-OE2 3.02Å; H640-E662 VanDerWaalsContact CE1-OE2 3.24Å; H640-E662 IonicContact NE2-OE2 3.55Å; H659-E662 WeakPolarHBondContact O-CB 3.26Å; H659-E662 PolarHBondContact O-N 2.92Å; D660-E662 VanDerWaalsContact C-N 3.28Å; D660-E662 PolarHBondContact O-N 3.33Å; E662-K664 PolarHBondContact O-N 2.92Å; E662-K664 IonicContact OE1-NZ 3.72Å; E662-K664 IonicContact OE2-NZ 3.53Å; E662-K664 PolarHBondContact OE2-NZ 3.42Å
663	I	74.4	Confident	75.7	Confident	75 Å²	75	70.3 Å²	70.3	39%	0.385	35%	0.35	S	S	.	.			trans	-80.9	98.3	176	-63.1	171	0	0	0	109.5	Y652 C655 N661 I665	Y652-I663 HydrophobicContact CD1-CD1 3.9Å; Y652-I663 HydrophobicContact CD1-CG1 4.29Å; Y652-I663 HydrophobicContact CD1-CG2 3.69Å; Y652-I663 HydrophobicContact CE1-CD1 4.35Å; Y652-I663 HydrophobicContact CE1-CG2 3.5Å; Y652-I663 HydrophobicContact CG-CD1 4.24Å; C655-I663 HydrophobicContact CB-CG1 4.03Å; N661-I663 PolarHBondContact O-N 3.23Å; I663-I665 HydrophobicContact CG2-CD1 4.42Å; I663-I665 HydrophobicContact CG2-CG1 3.98Å
664	K	72.9	Confident	75.4	Confident	104 Å²	104	66.9 Å²	66.9	45%	0.452	34%	0.343	S	S	.	.			trans	-117.5	106.9	166.3	-62.7	-174.8	-179.1	114.3	0	109.9	A639 E662	A639-K664 HydrophobicContact CB-CB 3.69Å; A639-K664 WeakPolarHBondContact CB-O 3.41Å; A639-K664 PolarHBondContact N-O 2.9Å; E662-K664 PolarHBondContact O-N 2.92Å; E662-K664 IonicContact OE1-NZ 3.72Å; E662-K664 IonicContact OE2-NZ 3.53Å; E662-K664 PolarHBondContact OE2-NZ 3.42Å
665	I	79.1	Confident	75.2	Confident	44 Å²	44	70.3 Å²	70.3	23%	0.226	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	145.2	-177.1	-48.7	175	0	0	0	110	Y636 I648 L651 Y652 I663 Y667	Y636-I665 HydrophobicContact CD1-CG2 4.34Å; I648-I665 HydrophobicContact CD1-CD1 4.16Å; L651-I665 HydrophobicContact CD2-CB 4.31Å; L651-I665 HydrophobicContact CD2-CG1 4.14Å; L651-I665 HydrophobicContact CD2-CG2 3.89Å; Y652-I665 HydrophobicContact CE1-CD1 3.84Å; Y652-I665 HydrophobicContact CE1-CG1 4.33Å; I663-I665 HydrophobicContact CG2-CD1 4.42Å; I663-I665 HydrophobicContact CG2-CG1 3.98Å; I665-Y667 HydrophobicContact CG2-CE2 4.31Å
666	K	82.5	Confident	75.2	Confident	67 Å²	67	72 Å²	72	29%	0.291	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.5	156.5	-68.9	-177	-176.9	-123.4	0	109.7	Y636 S637 A639 I675 N677	Y636-K666 CarbonylContact C-O 3.56Å; S637-K666 PolarHBondContact N-O 3.28Å; S637-K666 PolarHBondContact O-N 2.94Å; S637-K666 WeakPolarHBondContact OG-CB 3.48Å; S637-K666 PolarHBondContact OG-O 3.43Å; A639-K666 HydrophobicContact CB-CD 4.21Å; A639-K666 HydrophobicContact CB-CG 4.06Å; K666-I675 HydrophobicContact CB-CG2 4.02Å; K666-I675 HydrophobicContact CD-CG2 4Å; K666-N677 PolarHBondContact NZ-OD1 2.96Å
667	Y	79	Confident	75.2	Confident	28 Å²	28	72.6 Å²	72.6	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144	177.5	-59.4	-92.4	0	0	0	109.2	R635 Y636 I665 I675 F676 E679 F682	R635-Y667 CarbonylContact O-C 3.55Å; R635-Y667 WeakPolarHBondContact O-CA 3.47Å; Y636-Y667 HydrophobicContact CD1-CD1 4.38Å; Y636-Y667 HydrophobicContact CD1-CE1 4.22Å; Y636-Y667 HydrophobicContact CE1-CD1 4.42Å; Y636-Y667 HydrophobicContact CE1-CE1 4.01Å; I665-Y667 HydrophobicContact CG2-CE2 4.31Å; Y667-I675 CarbonylContact O-C 3.6Å; Y667-I675 WeakPolarHBondContact O-CA 3.34Å; Y667-F676 PolarHBondContact N-O 3.18Å; Y667-F676 PolarHBondContact O-N 2.83Å; Y667-E679 HydrophobicContact CD1-CB 4.38Å; Y667-E679 HydrophobicContact CD1-CG 4.23Å; Y667-E679 HydrophobicContact CD2-CB 4.32Å; Y667-E679 HydrophobicContact CE1-CB 3.84Å; Y667-E679 HydrophobicContact CE1-CG 3.69Å; Y667-E679 VanDerWaalsContact CE1-OE1 3.28Å; Y667-E679 WeakPolarHBondContact CE1-OE1 3.22Å; Y667-E679 VanDerWaalsContact CE1-OE2 3.25Å; Y667-E679 WeakPolarHBondContact CE1-OE2 3.5Å; Y667-E679 HydrophobicContact CE2-CB 3.81Å; Y667-E679 PolarHBondContact OH-OE2 3.49Å; Y667-F682 HydrophobicContact CD1-CD1 4.5Å; Y667-F682 HydrophobicContact CG-CB 4.34Å
668	F	77.1	Confident	75.2	Confident	30 Å²	30	70.8 Å²	70.8	13%	0.132	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.9	-173.9	169.1	-108.1	0	0	0	108.3	H634 R635 P644 G670 D673 L674 I675	H634-F668 HydrophobicContact CB-CD1 3.89Å; H634-F668 HydrophobicContact CB-CE1 3.94Å; H634-F668 WeakPolarHBondContact O-CD1 3.4Å; R635-F668 CarbonylContact C-O 3.6Å; R635-F668 VanDerWaalsContact CA-O 3.27Å; R635-F668 WeakPolarHBondContact CA-O 3.43Å; R635-F668 PolarHBondContact O-N 3.29Å; P644-F668 HydrophobicContact CB-CD1 4.1Å; P644-F668 HydrophobicContact CB-CE1 4.17Å; F668-G670 PolarHBondContact O-N 3.44Å; F668-D673 HydrophobicContact CE2-CB 4.11Å; F668-D673 HydrophobicContact CZ-CB 4.41Å; F668-D673 WeakPolarHBondContact CZ-OD1 3.13Å; F668-L674 CarbonylContact C-O 3.29Å; F668-L674 WeakPolarHBondContact CA-O 3.22Å; F668-I675 HydrophobicContact CD2-CG1 3.87Å
669	C	78	Confident	75.4	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.			trans	-95.5	93.6	175.8	-170.7	0	0	0	0	110.3	L671 C672 D673 L674 F676 F682 H685	C669-L671 PolarHBondContact O-N 3.09Å; C669-C672 PolarHBondContact O-N 3.44Å; C669-C672 VanDerWaalsContact SG-SG 3.67Å; C669-D673 WeakPolarHBondContact O-CA 3.02Å; C669-D673 PolarHBondContact O-N 3.01Å; C669-L674 PolarHBondContact N-O 3.19Å; C669-F676 HydrophobicContact CB-CE2 4.29Å; C669-F682 HydrophobicContact CB-CD2 4.2Å; C669-F682 HydrophobicContact CB-CE2 3.93Å; C669-H685 PolarHBondContact SG-NE2 3.49Å
670	G	65.2	Low	75.4	Confident	29 Å²	29	72.5 Å²	72.5	30%	0.299	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	17.9	175.2	0	0	0	0	0	116.4	H634 F668	H634-G670 PolarHBondContact O-N 3.28Å; H634-G670 VanDerWaalsContact O-N 3.14Å; F668-G670 PolarHBondContact O-N 3.44Å
671	L	68.1	Low	75.7	Confident	57 Å²	57	67 Å²	67	30%	0.298	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-20.7	169.8	-57.7	177.8	0	0	0	112.5	I610 C669 Y686 H690	I610-L671 HydrophobicContact CD1-CD1 3.94Å; I610-L671 HydrophobicContact CG1-CD1 4.29Å; I610-L671 HydrophobicContact CG2-CD1 4.06Å; I610-L671 HydrophobicContact CG2-CD2 4.08Å; C669-L671 PolarHBondContact O-N 3.09Å; L671-Y686 HydrophobicContact CD1-CE2 4.06Å; L671-H690 HydrophobicContact CD1-CB 4.2Å
672	C	71.4	Confident	76.2	Confident	51 Å²	51	61.8 Å²	61.8	35%	0.345	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.8	4.7	-177.2	72.1	0	0	0	0	114.8	C669 L674 H685	C669-C672 PolarHBondContact O-N 3.44Å; C669-C672 VanDerWaalsContact SG-SG 3.67Å; C672-L674 PolarHBondContact O-N 2.81Å; C672-H685 PolarHBondContact SG-CE1 3.38Å; C672-H685 PolarHBondContact SG-NE2 3.35Å
673	D	68.8	Low	76.7	Confident	104 Å²	104	59.3 Å²	59.3	56%	0.556	31%	0.313	S	S	*	.			trans	61.3	12.7	179.2	-58.5	-36.5	0	0	0	117.1	F668 C669	F668-D673 HydrophobicContact CE2-CB 4.11Å; F668-D673 HydrophobicContact CZ-CB 4.41Å; F668-D673 WeakPolarHBondContact CZ-OD1 3.13Å; C669-D673 WeakPolarHBondContact O-CA 3.02Å; C669-D673 PolarHBondContact O-N 3.01Å
674	L	75.4	Confident	77	Confident	75 Å²	75	58.3 Å²	58.3	39%	0.393	31%	0.313	S	S	.	.			trans	-72.8	143.8	175.3	-65.7	178.7	0	0	0	112.8	F668 C669 C672 F676	F668-L674 CarbonylContact C-O 3.29Å; F668-L674 WeakPolarHBondContact CA-O 3.22Å; C669-L674 PolarHBondContact N-O 3.19Å; C672-L674 PolarHBondContact O-N 2.81Å; L674-F676 HydrophobicContact CB-CE2 3.61Å; L674-F676 HydrophobicContact CB-CZ 3.7Å; L674-F676 HydrophobicContact CD1-CZ 4.06Å
675	I	78.9	Confident	77.3	Confident	86 Å²	86	54 Å²	54	44%	0.441	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.6	179.7	-59.7	169.4	0	0	0	110.3	K666 Y667 F668	K666-I675 HydrophobicContact CB-CG2 4.02Å; K666-I675 HydrophobicContact CD-CG2 4Å; Y667-I675 CarbonylContact O-C 3.6Å; Y667-I675 WeakPolarHBondContact O-CA 3.34Å; F668-I675 HydrophobicContact CD2-CG1 3.87Å
676	F	81.4	Confident	77.2	Confident	36 Å²	36	51.9 Å²	51.9	16%	0.158	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.9	-179.1	-52.9	-94	0	0	0	110.5	Y667 C669 L674 A681 F682 H685	Y667-F676 PolarHBondContact N-O 3.18Å; Y667-F676 PolarHBondContact O-N 2.83Å; C669-F676 HydrophobicContact CB-CE2 4.29Å; L674-F676 HydrophobicContact CB-CE2 3.61Å; L674-F676 HydrophobicContact CB-CZ 3.7Å; L674-F676 HydrophobicContact CD1-CZ 4.06Å; F676-A681 HydrophobicContact CD1-CB 4.1Å; F676-A681 WeakPolarHBondContact CD1-O 3.23Å; F676-A681 WeakPolarHBondContact CE1-O 3.31Å; F676-F682 HydrophobicContact CB-CB 4.06Å; F676-F682 HydrophobicContact CD2-CB 3.8Å; F676-F682 HydrophobicContact CD2-CD2 4.08Å; F676-F682 HydrophobicContact CD2-CG 4.45Å; F676-F682 HydrophobicContact CE2-CB 4.49Å; F676-F682 HydrophobicContact CE2-CD2 4.27Å; F676-F682 HydrophobicContact CG-CB 3.95Å; F676-H685 HydrophobicContact CE1-CB 3.84Å; F676-H685 HydrophobicContact CE2-CB 4.36Å; F676-H685 AromaticContact CE2-CD2 3.65Å; F676-H685 HydrophobicContact CZ-CB 3.56Å; F676-H685 AromaticContact CZ-CD2 3.49Å; F676-H685 VanDerWaalsContact CZ-CD2 3.49Å; F676-H685 WeakPolarHBondContact CZ-CD2 3.47Å; F676-H685 AromaticContact CZ-CG 3.37Å
677	N	78.8	Confident	77	Confident	114 Å²	114	53.6 Å²	53.6	61%	0.61	29%	0.293	S	S	*	.	S	Bend	trans	-89.5	-3.8	179.4	-55.1	-60.2	0	0	0	113.3	K666	K666-N677 PolarHBondContact NZ-OD1 2.96Å
678	V	79.4	Confident	76.7	Confident	75 Å²	75	58.9 Å²	58.9	46%	0.455	32%	0.318	S	S	.	.	S	Bend	trans	-145.3	140.6	-165.9	173.9	0	0	0	0	107	E680 A681	V678-E680 HydrophobicContact CG1-CB 4.27Å; V678-E680 WeakPolarHBondContact CG1-OE2 3.48Å; V678-A681 HydrophobicContact CB-CB 4.35Å
679	E	80.3	Confident	76.4	Confident	52 Å²	52	62.7 Å²	62.7	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-69.9	-45	-173.5	-173.5	134	-151	0	0	111.1	R635 Y667 A681 F682 L683	R635-E679 IonicContact CZ-OE1 3.93Å; R635-E679 IonicContact NE-OE1 2.63Å; R635-E679 IonicContact NH2-OE1 3.47Å; R635-E679 PolarHBondContact NH2-OE1 3.18Å; Y667-E679 HydrophobicContact CD1-CB 4.38Å; Y667-E679 HydrophobicContact CD1-CG 4.23Å; Y667-E679 HydrophobicContact CD2-CB 4.32Å; Y667-E679 HydrophobicContact CE1-CB 3.84Å; Y667-E679 HydrophobicContact CE1-CG 3.69Å; Y667-E679 VanDerWaalsContact CE1-OE1 3.28Å; Y667-E679 WeakPolarHBondContact CE1-OE1 3.22Å; Y667-E679 VanDerWaalsContact CE1-OE2 3.25Å; Y667-E679 WeakPolarHBondContact CE1-OE2 3.5Å; Y667-E679 HydrophobicContact CE2-CB 3.81Å; Y667-E679 PolarHBondContact OH-OE2 3.49Å; E679-A681 PolarHBondContact O-N 3.42Å; E679-F682 WeakPolarHBondContact O-CA 3.47Å; E679-F682 WeakPolarHBondContact O-CB 3.2Å; E679-F682 PolarHBondContact O-N 2.96Å; E679-L683 HydrophobicContact CG-CD1 4.15Å; E679-L683 HydrophobicContact CG-CG 4.27Å; E679-L683 WeakPolarHBondContact O-CG 3.35Å; E679-L683 PolarHBondContact O-N 3.02Å
680	E	79.8	Confident	76.3	Confident	130 Å²	130	63.4 Å²	63.4	61%	0.607	34%	0.34	S	S	*	.	H	α-helix	trans	-58.3	-35.8	-178.5	-63.1	76	-171.6	0	0	112	V678 L683 S684	V678-E680 HydrophobicContact CG1-CB 4.27Å; V678-E680 WeakPolarHBondContact CG1-OE2 3.48Å; E680-L683 PolarHBondContact O-N 3.43Å; E680-S684 PolarHBondContact O-N 3.24Å; E680-S684 PolarHBondContact O-OG 3.38Å
681	A	80.5	Confident	76.4	Confident	39 Å²	39	62.5 Å²	62.5	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-75	-26.7	176.8	0	0	0	0	0	113.3	F676 V678 E679 S684 H685	F676-A681 HydrophobicContact CD1-CB 4.1Å; F676-A681 WeakPolarHBondContact CD1-O 3.23Å; F676-A681 WeakPolarHBondContact CE1-O 3.31Å; V678-A681 HydrophobicContact CB-CB 4.35Å; E679-A681 PolarHBondContact O-N 3.42Å; A681-S684 PolarHBondContact O-OG 3.37Å; A681-H685 WeakPolarHBondContact O-CB 3.39Å; A681-H685 PolarHBondContact O-N 3.29Å
682	F	82.1	Confident	76.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-75.1	-40.5	168.8	159.9	-95.7	0	0	0	110.9	L628 F633 R635 Y667 C669 F676 E679 H685 Y686	L628-F682 HydrophobicContact CD2-CE1 4.18Å; L628-F682 HydrophobicContact CD2-CZ 4.15Å; F633-F682 HydrophobicContact CE2-CE2 4.27Å; F633-F682 AromaticContact CE2-CZ 3.99Å; F633-F682 HydrophobicContact CE2-CZ 3.99Å; F633-F682 HydrophobicContact CZ-CZ 4.07Å; R635-F682 HydrophobicContact CG-CE1 3.9Å; R635-F682 HydrophobicContact CG-CZ 3.94Å; Y667-F682 HydrophobicContact CD1-CD1 4.5Å; Y667-F682 HydrophobicContact CG-CB 4.34Å; C669-F682 HydrophobicContact CB-CD2 4.2Å; C669-F682 HydrophobicContact CB-CE2 3.93Å; F676-F682 HydrophobicContact CB-CB 4.06Å; F676-F682 HydrophobicContact CD2-CB 3.8Å; F676-F682 HydrophobicContact CD2-CD2 4.08Å; F676-F682 HydrophobicContact CD2-CG 4.45Å; F676-F682 HydrophobicContact CE2-CB 4.49Å; F676-F682 HydrophobicContact CE2-CD2 4.27Å; F676-F682 HydrophobicContact CG-CB 3.95Å; E679-F682 WeakPolarHBondContact O-CA 3.47Å; E679-F682 WeakPolarHBondContact O-CB 3.2Å; E679-F682 PolarHBondContact O-N 2.96Å; F682-H685 PolarHBondContact O-N 2.94Å; F682-Y686 WeakPolarHBondContact O-CB 3.08Å; F682-Y686 PolarHBondContact O-N 2.88Å
683	L	77.6	Confident	76.5	Confident	49 Å²	49	64 Å²	64	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-49.5	176.8	-66.4	177	0	0	0	111.4	L628 E679 E680 H685 Y686 E687	L628-L683 HydrophobicContact CD1-CD2 3.25Å; E679-L683 HydrophobicContact CG-CD1 4.15Å; E679-L683 HydrophobicContact CG-CG 4.27Å; E679-L683 WeakPolarHBondContact O-CG 3.35Å; E679-L683 PolarHBondContact O-N 3.02Å; E680-L683 PolarHBondContact O-N 3.43Å; L683-H685 PolarHBondContact O-N 3.23Å; L683-Y686 PolarHBondContact O-N 2.86Å; L683-Y686 VanDerWaalsContact O-N 3.15Å; L683-E687 WeakPolarHBondContact O-CG 3.34Å; L683-E687 PolarHBondContact O-N 3.22Å
684	S	79.6	Confident	76.9	Confident	54 Å²	54	60.3 Å²	60.3	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-43.2	178.5	70.3	0	0	0	0	111.9	E680 A681 Y686 E687 E688	E680-S684 PolarHBondContact O-N 3.24Å; E680-S684 PolarHBondContact O-OG 3.38Å; A681-S684 PolarHBondContact O-OG 3.37Å; S684-Y686 VanDerWaalsContact C-N 3.34Å; S684-Y686 PolarHBondContact O-N 3.02Å; S684-E687 PolarHBondContact O-N 2.73Å; S684-E688 WeakPolarHBondContact O-CB 3.25Å; S684-E688 VanDerWaalsContact O-CG 3.31Å; S684-E688 WeakPolarHBondContact O-CG 3.37Å; S684-E688 PolarHBondContact O-N 3.14Å
685	H	80.6	Confident	77.1	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-44.4	173.5	158.4	66.4	0	0	0	112.2	C669 C672 F676 A681 F682 L683 H689 H690	C669-H685 PolarHBondContact SG-NE2 3.49Å; C672-H685 PolarHBondContact SG-CE1 3.38Å; C672-H685 PolarHBondContact SG-NE2 3.35Å; F676-H685 HydrophobicContact CE1-CB 3.84Å; F676-H685 HydrophobicContact CE2-CB 4.36Å; F676-H685 AromaticContact CE2-CD2 3.65Å; F676-H685 HydrophobicContact CZ-CB 3.56Å; F676-H685 AromaticContact CZ-CD2 3.49Å; F676-H685 VanDerWaalsContact CZ-CD2 3.49Å; F676-H685 WeakPolarHBondContact CZ-CD2 3.47Å; F676-H685 AromaticContact CZ-CG 3.37Å; A681-H685 WeakPolarHBondContact O-CB 3.39Å; A681-H685 PolarHBondContact O-N 3.29Å; F682-H685 PolarHBondContact O-N 2.94Å; L683-H685 PolarHBondContact O-N 3.23Å; H685-H689 AromaticContact ND1-CD2 3.43Å; H685-H689 PolarHBondContact ND1-CD2 3.13Å; H685-H689 WeakPolarHBondContact O-CB 3.21Å; H685-H689 PolarHBondContact O-CD2 3.48Å; H685-H689 PolarHBondContact O-N 3.14Å; H685-H690 AromaticContact CE1-NE2 3.93Å; H685-H690 AromaticContact NE2-CD2 3.8Å; H685-H690 AromaticContact NE2-NE2 3.69Å
686	Y	76.4	Confident	76.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-42.7	178.9	-179.4	-87.1	0	0	0	111.9	C625 L628 H631 F633 L671 F682 L683 S684 H690 S691	C625-Y686 WeakPolarHBondContact O-CE1 3.45Å; C625-Y686 PolarHBondContact O-OH 3.2Å; L628-Y686 HydrophobicContact CD1-CD1 4.23Å; L628-Y686 HydrophobicContact CD2-CD1 3.68Å; L628-Y686 HydrophobicContact CD2-CD2 3.76Å; L628-Y686 HydrophobicContact CD2-CE1 3.65Å; L628-Y686 HydrophobicContact CD2-CE2 3.7Å; L628-Y686 HydrophobicContact CD2-CG 3.75Å; L628-Y686 HydrophobicContact CG-CD1 3.86Å; L628-Y686 HydrophobicContact CG-CE1 3.72Å; L628-Y686 HydrophobicContact CG-CG 4.41Å; H631-Y686 PolarHBondContact CE1-OH 2.95Å; H631-Y686 PolarHBondContact ND1-OH 3.18Å; F633-Y686 AromaticContact CE1-CE2 3.95Å; F633-Y686 HydrophobicContact CE1-CE2 3.95Å; F633-Y686 AromaticContact CZ-CD2 3.97Å; F633-Y686 HydrophobicContact CZ-CD2 3.97Å; F633-Y686 AromaticContact CZ-CE2 3.7Å; F633-Y686 HydrophobicContact CZ-CE2 3.7Å; L671-Y686 HydrophobicContact CD1-CE2 4.06Å; F682-Y686 WeakPolarHBondContact O-CB 3.08Å; F682-Y686 PolarHBondContact O-N 2.88Å; L683-Y686 PolarHBondContact O-N 2.86Å; L683-Y686 VanDerWaalsContact O-N 3.15Å; S684-Y686 VanDerWaalsContact C-N 3.34Å; S684-Y686 PolarHBondContact O-N 3.02Å; Y686-H690 HydrophobicContact CD2-CB 3.85Å; Y686-H690 HydrophobicContact CE2-CB 3.88Å; Y686-H690 HydrophobicContact CG-CB 4.31Å; Y686-H690 CarbonylContact O-C 3.52Å; Y686-H690 WeakPolarHBondContact O-CA 3.5Å; Y686-H690 WeakPolarHBondContact O-CB 3.37Å; Y686-H690 PolarHBondContact O-N 3.34Å; Y686-S691 PolarHBondContact O-N 3.44Å; Y686-S691 VanDerWaalsContact O-N 3.15Å
687	E	77.6	Confident	76.1	Confident	103 Å²	103	58.8 Å²	58.8	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-66.8	-36.1	176.6	-72.9	-175.7	-176.3	0	0	112.8	L683 S684 S691	L683-E687 WeakPolarHBondContact O-CG 3.34Å; L683-E687 PolarHBondContact O-N 3.22Å; S684-E687 PolarHBondContact O-N 2.73Å; E687-S691 WeakPolarHBondContact O-CB 3.36Å; E687-S691 PolarHBondContact O-OG 2.79Å
688	E	74.3	Confident	75.1	Confident	138 Å²	138	55.5 Å²	55.5	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-77.8	-39	179.1	-72.3	176.8	170.9	0	0	113.1	S684	S684-E688 WeakPolarHBondContact O-CB 3.25Å; S684-E688 VanDerWaalsContact O-CG 3.31Å; S684-E688 WeakPolarHBondContact O-CG 3.37Å; S684-E688 PolarHBondContact O-N 3.14Å
689	H	70.7	Confident	73.6	Confident	111 Å²	111	57.8 Å²	57.8	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-102.2	-34.7	-173.2	-69.7	-83.3	0	0	0	115	H685	H685-H689 AromaticContact ND1-CD2 3.43Å; H685-H689 PolarHBondContact ND1-CD2 3.13Å; H685-H689 WeakPolarHBondContact O-CB 3.21Å; H685-H689 PolarHBondContact O-CD2 3.48Å; H685-H689 PolarHBondContact O-N 3.14Å
690	H	75.5	Confident	72	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.065	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-14.4	-170	-66.2	-55.4	0	0	0	114.1	I610 L671 H685 Y686 I692 D693	I610-H690 HydrophobicContact CD1-CB 4.05Å; I610-H690 WeakPolarHBondContact CD1-O 3.45Å; L671-H690 HydrophobicContact CD1-CB 4.2Å; H685-H690 AromaticContact CE1-NE2 3.93Å; H685-H690 AromaticContact NE2-CD2 3.8Å; H685-H690 AromaticContact NE2-NE2 3.69Å; Y686-H690 HydrophobicContact CD2-CB 3.85Å; Y686-H690 HydrophobicContact CE2-CB 3.88Å; Y686-H690 HydrophobicContact CG-CB 4.31Å; Y686-H690 CarbonylContact O-C 3.52Å; Y686-H690 WeakPolarHBondContact O-CA 3.5Å; Y686-H690 WeakPolarHBondContact O-CB 3.37Å; Y686-H690 PolarHBondContact O-N 3.34Å; H690-I692 PolarHBondContact O-N 3.26Å; H690-I692 VanDerWaalsContact O-N 3.12Å; H690-D693 IonicContact CE1-OD2 3.43Å; H690-D693 IonicContact CG-OD2 3.77Å; H690-D693 IonicContact ND1-OD2 2.66Å; H690-D693 PolarHBondContact ND1-OD2 3.28Å; H690-D693 PolarHBondContact O-N 3.26Å
691	S	67.8	Low	70	Confident	11 Å²	11	63.1 Å²	63.1	8%	0.077	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.8	171.3	73.5	0	0	0	0	114.3	C625 Y686 E687 Y694	C625-S691 WeakPolarHBondContact CB-O 3.41Å; Y686-S691 PolarHBondContact O-N 3.44Å; Y686-S691 VanDerWaalsContact O-N 3.15Å; E687-S691 WeakPolarHBondContact O-CB 3.36Å; E687-S691 PolarHBondContact O-OG 2.79Å; S691-Y694 WeakPolarHBondContact O-CE1 3.45Å
692	I	71.4	Confident	68.2	Low	99 Å²	99	68 Å²	68	51%	0.508	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	6.9	-178.9	59.9	170.9	0	0	0	113.6	H690 Y694	H690-I692 PolarHBondContact O-N 3.26Å; H690-I692 VanDerWaalsContact O-N 3.12Å; I692-Y694 PolarHBondContact O-N 3.47Å
693	D	70.6	Confident	65.9	Low	41 Å²	41	73.1 Å²	73.1	22%	0.219	37%	0.373	C	S	.	.			trans	-77.4	66.7	177.5	-97	-41.7	0	0	0	111.5	R609 I610 H690	R609-D693 HydrophobicContact CB-CB 4.21Å; R609-D693 VanDerWaalsContact CB-O 3.27Å; R609-D693 WeakPolarHBondContact CB-O 3.31Å; R609-D693 PolarHBondContact N-O 3.29Å; R609-D693 IonicContact NH1-OD1 3.13Å; I610-D693 HydrophobicContact CD1-CB 3.87Å; I610-D693 HydrophobicContact CG1-CB 3.83Å; H690-D693 IonicContact CE1-OD2 3.43Å; H690-D693 IonicContact CG-OD2 3.77Å; H690-D693 IonicContact ND1-OD2 2.66Å; H690-D693 PolarHBondContact ND1-OD2 3.28Å; H690-D693 PolarHBondContact O-N 3.26Å
694	Y	77.2	Confident	64.6	Low	26 Å²	26	74.3 Å²	74.3	10%	0.102	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	169.5	173.3	56.7	-105.3	0	0	0	111.8	W606 Q607 R609 Q618 V621 K622 C625 S691 I692	W606-Y694 AromaticContact CE3-CD2 3.64Å; W606-Y694 HydrophobicContact CE3-CD2 3.64Å; W606-Y694 AromaticContact CE3-CE2 3.92Å; W606-Y694 HydrophobicContact CE3-CE2 3.92Å; W606-Y694 AromaticContact CZ3-CD2 3.77Å; W606-Y694 HydrophobicContact CZ3-CD2 3.77Å; W606-Y694 AromaticContact CZ3-CE2 3.7Å; W606-Y694 HydrophobicContact CZ3-CE2 3.7Å; Q607-Y694 CarbonylContact O-C 3.54Å; Q607-Y694 WeakPolarHBondContact O-CA 3.34Å; Q607-Y694 VanDerWaalsContact O-CB 3.3Å; Q607-Y694 WeakPolarHBondContact O-CB 3.08Å; R609-Y694 PolarHBondContact NE-O 3.03Å; R609-Y694 PolarHBondContact NH2-O 2.75Å; Q618-Y694 HydrophobicContact CG-CE2 3.69Å; Q618-Y694 PolarHBondContact NE2-OH 3.18Å; Q618-Y694 VanDerWaalsContact NE2-OH 3.07Å; V621-Y694 HydrophobicContact CB-CG 4.48Å; V621-Y694 HydrophobicContact CG1-CD1 3.87Å; V621-Y694 HydrophobicContact CG1-CD2 3.7Å; V621-Y694 HydrophobicContact CG1-CE1 4.28Å; V621-Y694 HydrophobicContact CG1-CE2 4.12Å; V621-Y694 HydrophobicContact CG1-CG 3.56Å; V621-Y694 HydrophobicContact CG2-CD1 4.38Å; V621-Y694 HydrophobicContact CG2-CG 4.08Å; K622-Y694 HydrophobicContact CB-CE1 3.78Å; K622-Y694 HydrophobicContact CG-CE1 4.06Å; C625-Y694 HydrophobicContact CB-CD1 4.45Å; S691-Y694 WeakPolarHBondContact O-CE1 3.45Å; I692-Y694 PolarHBondContact O-N 3.47Å
695	V	78.7	Confident	63	Low	54 Å²	54	73.8 Å²	73.8	33%	0.327	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	143.2	179.8	64.4	0	0	0	0	111.7	W606 Q607 V697	W606-V695 CarbonylContact C-O 3.53Å; W606-V695 WeakPolarHBondContact CA-O 3.29Å; Q607-V695 HydrophobicContact CB-CG1 4.11Å; Q607-V695 PolarHBondContact N-O 3.35Å; Q607-V695 PolarHBondContact O-N 3.2Å; V695-V697 HydrophobicContact CG1-CG2 4.28Å
696	F	69.8	Low	61.6	Low	78 Å²	78	75 Å²	75	34%	0.342	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.6	171.9	-174	-117	0	0	0	110.6	P602 G604 W606	P602-F696 HydrophobicContact CB-CE1 4.43Å; P602-F696 HydrophobicContact CB-CZ 4.45Å; G604-F696 VanDerWaalsContact C-CE2 3.49Å; W606-F696 AromaticContact CD1-CD2 3.8Å; W606-F696 HydrophobicContact CD2-CB 4.02Å; W606-F696 AromaticContact CD2-CD2 3.79Å; W606-F696 HydrophobicContact CD2-CD2 3.79Å; W606-F696 HydrophobicContact CD2-CG 4.38Å; W606-F696 AromaticContact CE2-CD2 3.46Å; W606-F696 VanDerWaalsContact CE2-CD2 3.46Å; W606-F696 HydrophobicContact CE3-CB 3.84Å; W606-F696 HydrophobicContact CE3-CD2 4.48Å; W606-F696 HydrophobicContact CG-CD2 4.01Å; W606-F696 HydrophobicContact CH2-CB 3.85Å; W606-F696 HydrophobicContact CH2-CG 4.49Å; W606-F696 HydrophobicContact CZ2-CB 4Å; W606-F696 AromaticContact CZ2-CD2 3.93Å; W606-F696 HydrophobicContact CZ2-CD2 3.93Å; W606-F696 HydrophobicContact CZ2-CG 4.16Å; W606-F696 HydrophobicContact CZ3-CB 3.77Å; W606-F696 AromaticContact NE1-CD2 3.46Å; W606-F696 AromaticContact NE1-CE2 3.83Å
697	V	69.6	Low	60.2	Low	32 Å²	32	78.8 Å²	78.8	19%	0.194	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.9	177.5	-175.1	0	0	0	0	108.3	G604 K605 Q607 M614 V695	G604-V697 CarbonylContact C-O 3.57Å; G604-V697 WeakPolarHBondContact CA-O 3.44Å; K605-V697 PolarHBondContact N-O 3.07Å; K605-V697 WeakPolarHBondContact O-CB 3.47Å; K605-V697 PolarHBondContact O-N 2.68Å; Q607-V697 HydrophobicContact CB-CG2 4Å; M614-V697 HydrophobicContact CE-CB 4.26Å; M614-V697 HydrophobicContact CE-CG2 4.25Å; V695-V697 HydrophobicContact CG1-CG2 4.28Å
698	S	57.6	Low	58.7	Low	46 Å²	46	77.4 Å²	77.4	32%	0.322	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	145.6	177.1	-175.3	0	0	0	0	111.4	R603 K700 T701	R603-S698 PolarHBondContact O-OG 3.31Å; S698-K700 PolarHBondContact O-N 3.06Å; S698-T701 PolarHBondContact O-N 2.89Å; S698-T701 PolarHBondContact O-OG1 3.1Å
699	E	48.9	Very low	57.2	Low	123 Å²	123	77.9 Å²	77.9	58%	0.575	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-6.9	-178.1	-160.2	-175.4	-116.3	0	0	113.8	R603	R603-E699 HydrophobicContact CB-CB 3.98Å; R603-E699 HydrophobicContact CB-CG 4.46Å; R603-E699 WeakPolarHBondContact CB-OE2 3.31Å; R603-E699 WeakPolarHBondContact CD-OE1 3.39Å; R603-E699 VanDerWaalsContact CD-OE2 3.25Å; R603-E699 WeakPolarHBondContact CD-OE2 3.48Å; R603-E699 IonicContact CZ-OE1 2.76Å; R603-E699 IonicContact NH1-OE1 3.16Å; R603-E699 PolarHBondContact NH1-OE1 3.4Å; R603-E699 IonicContact NH1-OE2 3.78Å; R603-E699 WeakPolarHBondContact O-CB 3.46Å; R603-E699 PolarHBondContact O-N 2.61Å
700	K	46.7	Very low	55.9	Low	201 Å²	201	75.8 Å²	75.8	87%	0.874	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	15	173.9	-68.3	-171.3	175.3	-178.2	0	114.6	S698	S698-K700 PolarHBondContact O-N 3.06Å
701	T	36.8	Very low	54.5	Low	93 Å²	93	76.6 Å²	76.6	57%	0.571	40%	0.398	S	S	*	.	S	Bend	trans	-127	120.2	176.9	5.3	0	0	0	0	110.2	S698	S698-T701 PolarHBondContact O-N 2.89Å; S698-T701 PolarHBondContact O-OG1 3.1Å
702	E	43.6	Very low	53.5	Low	142 Å²	142	80.8 Å²	80.8	66%	0.664	43%	0.425	S	S	*	.			trans	-63.5	164.2	173	-60.9	150.9	150.6	0	0	110.9	K706	E702-K706 IonicContact OE2-NZ 3.37Å; E702-K706 PolarHBondContact OE2-NZ 3.08Å
703	T	33.6	Very low	52.6	Low	107 Å²	107	77.9 Å²	77.9	66%	0.656	41%	0.412	S	S	*	.			trans	-51.6	140.1	-170.4	46	0	0	0	0	114.4	I705	T703-I705 CarbonylContact O-C 3.56Å; T703-I705 PolarHBondContact O-N 2.9Å; T703-I705 PolarHBondContact OG1-O 3.22Å
704	S	50.2	Low	51.6	Low	73 Å²	73	82.2 Å²	82.2	51%	0.51	44%	0.439	S	S	.	.	S	Bend	trans	-57.3	-12.7	179.3	-42.6	0	0	0	0	115.2
705	I	44.9	Very low	50.6	Low	44 Å²	44	81.8 Å²	81.8	23%	0.226	44%	0.438	C	S	.	.	S	Bend	trans	-112.3	122.4	168.4	-60.5	174.7	0	0	0	106.6	K505 T703	K505-I705 HydrophobicContact CB-CG2 4.28Å; K505-I705 HydrophobicContact CD-CG2 3.86Å; K505-I705 HydrophobicContact CG-CG2 4.07Å; T703-I705 CarbonylContact O-C 3.56Å; T703-I705 PolarHBondContact O-N 2.9Å; T703-I705 PolarHBondContact OG1-O 3.22Å
706	K	51.3	Low	49.3	Very low	38 Å²	38	85.5 Å²	85.5	17%	0.165	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-113	147.3	176.4	-82.9	176.3	169.6	-82.4	0	110.7	E702 D710 F711	E702-K706 IonicContact OE2-NZ 3.37Å; E702-K706 PolarHBondContact OE2-NZ 3.08Å; K706-D710 HydrophobicContact CB-CB 4Å; K706-D710 HydrophobicContact CD-CB 4.05Å; K706-D710 HydrophobicContact CG-CB 3.86Å; K706-D710 PolarHBondContact NZ-O 3.31Å; K706-F711 HydrophobicContact CB-CE2 3.82Å; K706-F711 HydrophobicContact CB-CZ 3.79Å; K706-F711 HydrophobicContact CD-CD1 4.24Å; K706-F711 HydrophobicContact CD-CE1 3.46Å; K706-F711 VanDerWaalsContact CD-CE1 3.46Å; K706-F711 HydrophobicContact CD-CE2 4.25Å; K706-F711 HydrophobicContact CD-CZ 3.49Å; K706-F711 VanDerWaalsContact CD-CZ 3.49Å; K706-F711 HydrophobicContact CG-CZ 4.27Å
707	T	47	Very low	48.8	Very low	81 Å²	81	82.9 Å²	82.9	50%	0.497	45%	0.453	S	S	.	.			trans	-82.9	173	172.5	70.7	0	0	0	0	110.6	E709 D710	T707-E709 PolarHBondContact O-N 2.93Å; T707-E709 VanDerWaalsContact O-N 3.14Å; T707-E709 PolarHBondContact OG1-N 3.04Å; T707-D710 WeakPolarHBondContact CA-OD2 3.4Å; T707-D710 WeakPolarHBondContact CB-OD2 3.45Å; T707-D710 PolarHBondContact N-OD2 2.83Å; T707-D710 PolarHBondContact O-N 3.05Å; T707-D710 PolarHBondContact OG1-OD2 2.75Å
708	E	45.6	Very low	48.7	Very low	73 Å²	73	86.4 Å²	86.4	34%	0.341	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-5.1	174.8	-79.2	-153.2	-149.8	0	0	114.5	K499 K537	K499-E708 IonicContact NZ-OE1 3.73Å; K499-E708 PolarHBondContact NZ-OE1 2.95Å; K537-E708 IonicContact NZ-OE2 2.66Å; K537-E708 PolarHBondContact NZ-OE2 2.88Å
709	E	43.7	Very low	49.3	Very low	148 Å²	148	89.2 Å²	89.2	69%	0.692	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-23	-179.3	-50.1	-152.2	144.7	0	0	112.9	T707 F711	T707-E709 PolarHBondContact O-N 2.93Å; T707-E709 VanDerWaalsContact O-N 3.14Å; T707-E709 PolarHBondContact OG1-N 3.04Å; E709-F711 PolarHBondContact O-N 3.09Å
710	D	44.3	Very low	50.5	Low	68 Å²	68	84.8 Å²	84.8	36%	0.364	46%	0.458	S	S	.	.	S	Bend	trans	-77.8	16.4	-173.5	-58.6	-63.2	0	0	0	115.2	K706 T707	K706-D710 HydrophobicContact CB-CB 4Å; K706-D710 HydrophobicContact CD-CB 4.05Å; K706-D710 HydrophobicContact CG-CB 3.86Å; K706-D710 PolarHBondContact NZ-O 3.31Å; T707-D710 WeakPolarHBondContact CA-OD2 3.4Å; T707-D710 WeakPolarHBondContact CB-OD2 3.45Å; T707-D710 PolarHBondContact N-OD2 2.83Å; T707-D710 PolarHBondContact O-N 3.05Å; T707-D710 PolarHBondContact OG1-OD2 2.75Å
711	F	44.8	Very low	51.3	Low	31 Å²	31	77.8 Å²	77.8	14%	0.136	43%	0.433	C	S	.	.	S	Bend	trans	-136.3	100.3	-172.5	-67.7	-55.1	0	0	0	112.2	W532 R534 K706 E709 V713	W532-F711 HydrophobicContact CH2-CD2 4.24Å; W532-F711 HydrophobicContact CH2-CE2 4.5Å; R534-F711 VanDerWaalsContact NH2-CD1 3.3Å; K706-F711 HydrophobicContact CB-CE2 3.82Å; K706-F711 HydrophobicContact CB-CZ 3.79Å; K706-F711 HydrophobicContact CD-CD1 4.24Å; K706-F711 HydrophobicContact CD-CE1 3.46Å; K706-F711 VanDerWaalsContact CD-CE1 3.46Å; K706-F711 HydrophobicContact CD-CE2 4.25Å; K706-F711 HydrophobicContact CD-CZ 3.49Å; K706-F711 VanDerWaalsContact CD-CZ 3.49Å; K706-F711 HydrophobicContact CG-CZ 4.27Å; E709-F711 PolarHBondContact O-N 3.09Å; F711-V713 PolarHBondContact O-N 2.88Å
712	P	47.3	Very low	52.9	Low	99 Å²	99	73.5 Å²	73.5	64%	0.643	41%	0.406	S	S	*	.			trans	-59.2	129.3	173.1	-24.2	34.4	0	0	0	111.7
713	V	52.4	Low	53.9	Low	38 Å²	38	68.1 Å²	68.1	23%	0.23	39%	0.389	C	S	.	.			trans	-85.6	130.5	174.6	175.1	0	0	0	0	108.8	F711 E715 I729 C730 N733	F711-V713 PolarHBondContact O-N 2.88Å; V713-E715 HydrophobicContact CG1-CG 4.31Å; V713-E715 PolarHBondContact O-N 3.22Å; V713-I729 HydrophobicContact CG1-CB 4.45Å; V713-I729 HydrophobicContact CG1-CG2 4.36Å; V713-C730 HydrophobicContact CB-CB 3.74Å; V713-C730 HydrophobicContact CG1-CB 4.31Å; V713-C730 HydrophobicContact CG2-CB 3.73Å; V713-N733 PolarHBondContact O-ND2 3.09Å
714	V	49.6	Very low	55.9	Low	131 Å²	131	63 Å²	63	79%	0.794	36%	0.358	S	S	*	.			trans	-76.9	106.3	175.6	-179	0	0	0	0	109.1
715	E	56.1	Low	57.2	Low	18 Å²	18	61.8 Å²	61.8	8%	0.084	34%	0.342	C	S	.	.			trans	-97	124.9	-179	-72.5	178.2	146.1	0	0	111.9	V713 R725 Y728 I729 C730 N733	V713-E715 HydrophobicContact CG1-CG 4.31Å; V713-E715 PolarHBondContact O-N 3.22Å; E715-R725 IonicContact OE2-CZ 3.25Å; E715-R725 IonicContact OE2-NE 2.85Å; E715-R725 IonicContact OE2-NH1 3.24Å; E715-R725 PolarHBondContact OE2-NH1 3.07Å; E715-Y728 WeakPolarHBondContact OE1-CA 3.41Å; E715-Y728 WeakPolarHBondContact OE1-CD1 3.45Å; E715-Y728 VanDerWaalsContact OE2-CD1 3.31Å; E715-Y728 WeakPolarHBondContact OE2-CD1 3.46Å; E715-I729 HydrophobicContact CG-CB 4.25Å; E715-I729 HydrophobicContact CG-CG1 4.45Å; E715-I729 PolarHBondContact OE1-N 3.23Å; E715-C730 PolarHBondContact OE1-N 2.84Å; E715-N733 WeakPolarHBondContact CG-ND2 3.39Å; E715-N733 VanDerWaalsContact OE2-CB 3.25Å; E715-N733 WeakPolarHBondContact OE2-CB 3.43Å; E715-N733 PolarHBondContact OE2-ND2 3.37Å
716	T	51.4	Low	58.1	Low	132 Å²	132	64.9 Å²	64.9	81%	0.81	36%	0.355	S	S	*	.			trans	-93	9.4	-173	49.6	0	0	0	0	114.4
717	S	60.6	Low	58.3	Low	23 Å²	23	66.4 Å²	66.4	16%	0.161	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-88.5	149.3	-173.8	44.8	0	0	0	0	113.7	R725 S727	S717-R725 WeakPolarHBondContact OG-CB 3.47Å; S717-R725 VanDerWaalsContact OG-CD 3.23Å; S717-R725 WeakPolarHBondContact OG-CD 3.46Å; S717-S727 WeakPolarHBondContact CB-O 3.33Å; S717-S727 WeakPolarHBondContact CB-OG 3.31Å; S717-S727 PolarHBondContact OG-O 2.97Å
718	N	66.6	Low	59.2	Low	106 Å²	106	65 Å²	65	57%	0.567	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-63.1	146.1	-176.8	-66	-53.1	0	0	0	112.8	R725 E726 L815	N718-R725 CarbonylContact O-C 3.5Å; N718-R725 VanDerWaalsContact O-CA 3.3Å; N718-R725 WeakPolarHBondContact O-CA 3.45Å; N718-E726 PolarHBondContact O-N 2.94Å; N718-L815 HydrophobicContact CB-CD2 3.78Å
719	Q	71.1	Confident	59.7	Low	105 Å²	105	67.1 Å²	67.1	49%	0.491	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-84.3	143.3	173.9	-73.6	178.9	-20.4	0	0	112.7	Q816	Q719-Q816 WeakPolarHBondContact O-CB 3.23Å; Q719-Q816 PolarHBondContact O-N 3.29Å; Q719-Q816 VanDerWaalsContact O-N 3.12Å
720	L	72.1	Confident	60.1	Low	29 Å²	29	60.8 Å²	60.8	15%	0.152	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-93.5	161.2	174.2	-57.1	170.8	0	0	0	110.5	C722 G723 C724 E726 L815	L720-C722 PolarHBondContact O-N 3Å; L720-G723 PolarHBondContact O-N 3.35Å; L720-C724 VanDerWaalsContact CB-O 3.3Å; L720-C724 WeakPolarHBondContact CB-O 3.37Å; L720-C724 HydrophobicContact CD1-CB 4.45Å; L720-C724 WeakPolarHBondContact CG-O 3.49Å; L720-C724 PolarHBondContact N-O 3.28Å; L720-E726 HydrophobicContact CD2-CB 4.32Å; L720-L815 HydrophobicContact CD2-CD2 3.93Å; L720-L815 HydrophobicContact CD2-CG 4.12Å
721	T	64.9	Low	60.9	Low	54 Å²	54	66.5 Å²	66.5	33%	0.331	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	5.3	177	44.5	0	0	0	0	116.3	K750 F814 Q816	T721-K750 PolarHBondContact O-NZ 3.43Å; T721-F814 WeakPolarHBondContact CB-O 3.47Å; T721-F814 WeakPolarHBondContact CG2-O 3.38Å; T721-F814 PolarHBondContact N-O 3.06Å; T721-F814 PolarHBondContact OG1-N 3.46Å; T721-F814 PolarHBondContact OG1-O 2.68Å; T721-Q816 HydrophobicContact CG2-CB 4.49Å
722	C	69.8	Low	61.9	Low	3 Å²	3	67.4 Å²	67.4	2%	0.02	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-13	169.9	67	0	0	0	0	114.2	L720 C741 H809 C813	L720-C722 PolarHBondContact O-N 3Å; C722-C741 VanDerWaalsContact CB-SG 3.51Å; C722-C741 VanDerWaalsContact SG-SG 3.68Å; C722-H809 PolarHBondContact SG-NE2 2.78Å; C722-H809 VanDerWaalsContact SG-NE2 3.37Å; C722-C813 PolarHBondContact SG-SG 2.85Å
723	G	65	Low	62.7	Low	29 Å²	29	63.3 Å²	63.3	30%	0.299	34%	0.343	S	S	.	.	S	Bend	trans	106.4	-26.5	-175.2	0	0	0	0	0	114.2	L720	L720-G723 PolarHBondContact O-N 3.35Å
724	C	75.8	Confident	63.5	Low	1 Å²	1	67.2 Å²	67.2	1%	0.007	35%	0.354	C	S	.	.			trans	-64.8	153.2	173.6	-66.1	0	0	0	0	112.5	L720 Y728 D737 C741	L720-C724 VanDerWaalsContact CB-O 3.3Å; L720-C724 WeakPolarHBondContact CB-O 3.37Å; L720-C724 HydrophobicContact CD1-CB 4.45Å; L720-C724 WeakPolarHBondContact CG-O 3.49Å; L720-C724 PolarHBondContact N-O 3.28Å; C724-Y728 VanDerWaalsContact CA-OH 3.24Å; C724-Y728 WeakPolarHBondContact CA-OH 3.45Å; C724-Y728 VanDerWaalsContact CB-OH 3.24Å; C724-Y728 WeakPolarHBondContact CB-OH 3.42Å; C724-D737 PolarHBondContact SG-O 3.1Å; C724-D737 VanDerWaalsContact SG-O 3.34Å; C724-C741 WeakPolarHBondContact SG-CB 3.5Å
725	R	76.4	Confident	64.5	Low	47 Å²	47	69.1 Å²	69.1	18%	0.177	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-77.1	156.1	167.1	-56.8	-173.7	-172.3	72.1	21.3	112.5	E715 S717 N718 Y728 D737	E715-R725 IonicContact OE2-CZ 3.25Å; E715-R725 IonicContact OE2-NE 2.85Å; E715-R725 IonicContact OE2-NH1 3.24Å; E715-R725 PolarHBondContact OE2-NH1 3.07Å; S717-R725 WeakPolarHBondContact OG-CB 3.47Å; S717-R725 VanDerWaalsContact OG-CD 3.23Å; S717-R725 WeakPolarHBondContact OG-CD 3.46Å; N718-R725 CarbonylContact O-C 3.5Å; N718-R725 VanDerWaalsContact O-CA 3.3Å; N718-R725 WeakPolarHBondContact O-CA 3.45Å; R725-Y728 HydrophobicContact CB-CE1 4.23Å; R725-Y728 HydrophobicContact CB-CE2 4.25Å; R725-Y728 HydrophobicContact CG-CE1 4.47Å; R725-Y728 PolarHBondContact N-OH 3.04Å; R725-Y728 VanDerWaalsContact O-CE2 3.31Å; R725-Y728 WeakPolarHBondContact O-CE2 3.27Å; R725-D737 IonicContact CZ-OD2 3.84Å; R725-D737 IonicContact NH1-OD2 2.58Å; R725-D737 PolarHBondContact NH1-OD2 3.35Å; R725-D737 IonicContact NH2-OD2 2.73Å
726	E	63.6	Low	65.3	Low	108 Å²	108	71.9 Å²	71.9	51%	0.505	36%	0.364	S	S	.	.	S	Bend	trans	-66.9	-36.4	176.1	-179.5	171.1	-141.9	0	0	113	N718 L720 L815	N718-E726 PolarHBondContact O-N 2.94Å; L720-E726 HydrophobicContact CD2-CB 4.32Å; E726-L815 HydrophobicContact CB-CD2 4.29Å
727	S	56.5	Low	66.3	Low	70 Å²	70	66 Å²	66	49%	0.49	33%	0.328	S	S	.	.	S	Bend	trans	-138.7	144.6	176.6	58.8	0	0	0	0	110.6	S717	S717-S727 WeakPolarHBondContact CB-O 3.33Å; S717-S727 WeakPolarHBondContact CB-OG 3.31Å; S717-S727 PolarHBondContact OG-O 2.97Å
728	Y	64.9	Low	66.9	Low	52 Å²	52	67.5 Å²	67.5	20%	0.204	33%	0.331	C	S	.	.			trans	-117.2	136	-179.9	-72.7	-88.1	0	0	0	110.5	E715 C724 R725 N733 R734 D737 Y738	E715-Y728 WeakPolarHBondContact OE1-CA 3.41Å; E715-Y728 WeakPolarHBondContact OE1-CD1 3.45Å; E715-Y728 VanDerWaalsContact OE2-CD1 3.31Å; E715-Y728 WeakPolarHBondContact OE2-CD1 3.46Å; C724-Y728 VanDerWaalsContact CA-OH 3.24Å; C724-Y728 WeakPolarHBondContact CA-OH 3.45Å; C724-Y728 VanDerWaalsContact CB-OH 3.24Å; C724-Y728 WeakPolarHBondContact CB-OH 3.42Å; R725-Y728 HydrophobicContact CB-CE1 4.23Å; R725-Y728 HydrophobicContact CB-CE2 4.25Å; R725-Y728 HydrophobicContact CG-CE1 4.47Å; R725-Y728 PolarHBondContact N-OH 3.04Å; R725-Y728 VanDerWaalsContact O-CE2 3.31Å; R725-Y728 WeakPolarHBondContact O-CE2 3.27Å; Y728-N733 HydrophobicContact CD1-CB 4.22Å; Y728-N733 HydrophobicContact CE1-CB 4.48Å; Y728-R734 HydrophobicContact CD1-CB 3.67Å; Y728-R734 HydrophobicContact CD1-CG 4.31Å; Y728-R734 HydrophobicContact CD2-CB 4.15Å; Y728-R734 HydrophobicContact CD2-CG 3.92Å; Y728-R734 HydrophobicContact CE1-CB 4.09Å; Y728-R734 HydrophobicContact CE2-CG 4.13Å; Y728-R734 HydrophobicContact CG-CB 3.71Å; Y728-R734 HydrophobicContact CG-CG 4Å; Y728-D737 HydrophobicContact CE1-CB 4.03Å; Y728-D737 WeakPolarHBondContact CE1-OD2 3.4Å; Y728-D737 WeakPolarHBondContact OH-CB 3.46Å; Y728-D737 PolarHBondContact OH-OD2 3.04Å; Y728-Y738 HydrophobicContact CE2-CE2 4.16Å
729	I	56.2	Low	67.1	Low	117 Å²	117	66 Å²	66	60%	0.6	33%	0.329	S	S	*	.	S	Bend	trans	-92.8	-33.3	170.8	-55	176.9	0	0	0	108.9	V713 E715	V713-I729 HydrophobicContact CG1-CB 4.45Å; V713-I729 HydrophobicContact CG1-CG2 4.36Å; E715-I729 HydrophobicContact CG-CB 4.25Å; E715-I729 HydrophobicContact CG-CG1 4.45Å; E715-I729 PolarHBondContact OE1-N 3.23Å
730	C	53.1	Low	67.6	Low	15 Å²	15	66.4 Å²	66.4	10%	0.101	33%	0.326	C	S	.	.			trans	-112.1	135.8	-178.3	-171.6	0	0	0	0	113.2	V713 E715 V732 N733 R734	V713-C730 HydrophobicContact CB-CB 3.74Å; V713-C730 HydrophobicContact CG1-CB 4.31Å; V713-C730 HydrophobicContact CG2-CB 3.73Å; E715-C730 PolarHBondContact OE1-N 2.84Å; C730-V732 VanDerWaalsContact C-N 3.35Å; C730-V732 PolarHBondContact SG-N 3.37Å; C730-V732 VanDerWaalsContact SG-N 3.41Å; C730-N733 HydrophobicContact CB-CB 4.02Å; C730-N733 WeakPolarHBondContact CB-OD1 3.34Å; C730-R734 PolarHBondContact O-N 3.38Å
731	K	62	Low	68	Low	189 Å²	189	65.1 Å²	65.1	82%	0.822	32%	0.319	S	S	*	.	H	α-helix	trans	-68	-32.6	173.9	-66.4	-177.7	-177.7	175.6	0	112.7	R734 K735	K731-R734 PolarHBondContact O-N 2.94Å; K731-K735 PolarHBondContact O-N 3.38Å
732	V	64.8	Low	68.7	Low	49 Å²	49	64.6 Å²	64.6	30%	0.297	31%	0.314	S	S	.	.	H	α-helix	trans	-68.6	-53.6	179.7	-174.8	0	0	0	0	110	C730 R734 K735 E736	C730-V732 VanDerWaalsContact C-N 3.35Å; C730-V732 PolarHBondContact SG-N 3.37Å; C730-V732 VanDerWaalsContact SG-N 3.41Å; V732-R734 PolarHBondContact O-N 2.9Å; V732-K735 WeakPolarHBondContact O-CA 3.45Å; V732-K735 WeakPolarHBondContact O-CB 3.46Å; V732-K735 PolarHBondContact O-N 3.17Å; V732-E736 PolarHBondContact O-N 3.02Å
733	N	63.3	Low	69.1	Low	13 Å²	13	69.3 Å²	69.3	7%	0.07	34%	0.336	C	S	.	.	H	α-helix	trans	-50.3	-42.6	172.4	-66.8	38.7	0	0	0	112.4	V713 E715 Y728 C730 E736 D737	V713-N733 PolarHBondContact O-ND2 3.09Å; E715-N733 WeakPolarHBondContact CG-ND2 3.39Å; E715-N733 VanDerWaalsContact OE2-CB 3.25Å; E715-N733 WeakPolarHBondContact OE2-CB 3.43Å; E715-N733 PolarHBondContact OE2-ND2 3.37Å; Y728-N733 HydrophobicContact CD1-CB 4.22Å; Y728-N733 HydrophobicContact CE1-CB 4.48Å; C730-N733 HydrophobicContact CB-CB 4.02Å; C730-N733 WeakPolarHBondContact CB-OD1 3.34Å; N733-E736 PolarHBondContact O-N 3.49Å; N733-D737 WeakPolarHBondContact O-CB 3.48Å; N733-D737 PolarHBondContact O-N 2.92Å
734	R	70.9	Confident	69.7	Low	120 Å²	120	70.4 Å²	70.4	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-43.5	176.4	-173.8	-180	170.8	-170.5	-3.9	112.1	Y728 C730 K731 V732 Y738	Y728-R734 HydrophobicContact CD1-CB 3.67Å; Y728-R734 HydrophobicContact CD1-CG 4.31Å; Y728-R734 HydrophobicContact CD2-CB 4.15Å; Y728-R734 HydrophobicContact CD2-CG 3.92Å; Y728-R734 HydrophobicContact CE1-CB 4.09Å; Y728-R734 HydrophobicContact CE2-CG 4.13Å; Y728-R734 HydrophobicContact CG-CB 3.71Å; Y728-R734 HydrophobicContact CG-CG 4Å; C730-R734 PolarHBondContact O-N 3.38Å; K731-R734 PolarHBondContact O-N 2.94Å; V732-R734 PolarHBondContact O-N 2.9Å; R734-Y738 HydrophobicContact CG-CD2 3.83Å; R734-Y738 HydrophobicContact CG-CE2 3.68Å; R734-Y738 PolarHBondContact NE-OH 2.84Å; R734-Y738 PolarHBondContact NH2-OH 3.2Å; R734-Y738 VanDerWaalsContact O-CB 3.26Å; R734-Y738 WeakPolarHBondContact O-CB 3.36Å; R734-Y738 WeakPolarHBondContact O-CD2 3.43Å; R734-Y738 PolarHBondContact O-N 3.37Å
735	K	69.8	Low	69.7	Low	172 Å²	172	70.4 Å²	70.4	75%	0.748	33%	0.334	S	S	*	.	H	α-helix	trans	-63.2	-44.2	178.3	-167.7	-179	-179	-174.7	0	111.1	K731 V732 Y738 S739	K731-K735 PolarHBondContact O-N 3.38Å; V732-K735 WeakPolarHBondContact O-CA 3.45Å; V732-K735 WeakPolarHBondContact O-CB 3.46Å; V732-K735 PolarHBondContact O-N 3.17Å; K735-Y738 PolarHBondContact O-N 3.28Å; K735-S739 PolarHBondContact O-N 3.05Å; K735-S739 PolarHBondContact O-OG 3.45Å
736	E	72.1	Confident	69.8	Low	75 Å²	75	68.7 Å²	68.7	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-47.1	176.3	-68.1	-177.5	-150.6	0	0	113.8	V732 N733 Y738 S739 R740	V732-E736 PolarHBondContact O-N 3.02Å; N733-E736 PolarHBondContact O-N 3.49Å; E736-Y738 PolarHBondContact O-N 3.26Å; E736-S739 PolarHBondContact O-N 3.23Å; E736-S739 PolarHBondContact O-OG 3.07Å; E736-R740 VanDerWaalsContact CB-NH2 3.33Å; E736-R740 WeakPolarHBondContact O-CB 3.39Å; E736-R740 WeakPolarHBondContact O-CG 3.03Å; E736-R740 PolarHBondContact O-N 3.25Å; E736-R740 IonicContact OE2-CZ 2.72Å; E736-R740 VanDerWaalsContact OE2-CZ 3.25Å; E736-R740 IonicContact OE2-NH1 3.33Å; E736-R740 PolarHBondContact OE2-NH1 3.14Å; E736-R740 IonicContact OE2-NH2 2.75Å; E736-R740 PolarHBondContact OE2-NH2 3.49Å
737	D	73.9	Confident	70.3	Confident	10 Å²	10	68.1 Å²	68.1	5%	0.053	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-28.2	179.7	-81.3	-10.5	0	0	0	111.3	C724 R725 Y728 N733 R740 C741	C724-D737 PolarHBondContact SG-O 3.1Å; C724-D737 VanDerWaalsContact SG-O 3.34Å; R725-D737 IonicContact CZ-OD2 3.84Å; R725-D737 IonicContact NH1-OD2 2.58Å; R725-D737 PolarHBondContact NH1-OD2 3.35Å; R725-D737 IonicContact NH2-OD2 2.73Å; Y728-D737 HydrophobicContact CE1-CB 4.03Å; Y728-D737 WeakPolarHBondContact CE1-OD2 3.4Å; Y728-D737 WeakPolarHBondContact OH-CB 3.46Å; Y728-D737 PolarHBondContact OH-OD2 3.04Å; N733-D737 WeakPolarHBondContact O-CB 3.48Å; N733-D737 PolarHBondContact O-N 2.92Å; D737-R740 IonicContact OD1-CZ 2.69Å; D737-R740 IonicContact OD1-NE 2.79Å; D737-R740 PolarHBondContact OD1-NE 2.94Å; D737-R740 IonicContact OD1-NH2 3.93Å; D737-R740 PolarHBondContact OD1-NH2 3.42Å; D737-C741 WeakPolarHBondContact O-CB 3.21Å; D737-C741 PolarHBondContact O-N 2.98Å
738	Y	71.2	Confident	71.1	Confident	53 Å²	53	71.4 Å²	71.4	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-70.3	-44.4	171.5	-85.9	-132.1	0	0	0	111.3	Y728 R734 K735 E736 C741 L742 Q805 H809	Y728-Y738 HydrophobicContact CE2-CE2 4.16Å; R734-Y738 HydrophobicContact CG-CD2 3.83Å; R734-Y738 HydrophobicContact CG-CE2 3.68Å; R734-Y738 PolarHBondContact NE-OH 2.84Å; R734-Y738 PolarHBondContact NH2-OH 3.2Å; R734-Y738 VanDerWaalsContact O-CB 3.26Å; R734-Y738 WeakPolarHBondContact O-CB 3.36Å; R734-Y738 WeakPolarHBondContact O-CD2 3.43Å; R734-Y738 PolarHBondContact O-N 3.37Å; K735-Y738 PolarHBondContact O-N 3.28Å; E736-Y738 PolarHBondContact O-N 3.26Å; Y738-C741 PolarHBondContact O-N 3.37Å; Y738-L742 PolarHBondContact O-N 2.98Å; Y738-Q805 PolarHBondContact O-NE2 2.82Å; Y738-H809 AromaticContact CZ-CE1 3.87Å; Y738-H809 AromaticContact CZ-ND1 3.81Å
739	S	72.5	Confident	71.4	Confident	76 Å²	76	69.8 Å²	69.8	53%	0.531	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.8	66.2	0	0	0	0	112.2	K735 E736 C741 L742 Q743	K735-S739 PolarHBondContact O-N 3.05Å; K735-S739 PolarHBondContact O-OG 3.45Å; E736-S739 PolarHBondContact O-N 3.23Å; E736-S739 PolarHBondContact O-OG 3.07Å; S739-C741 VanDerWaalsContact C-N 3.34Å; S739-C741 PolarHBondContact O-N 3.39Å; S739-L742 PolarHBondContact O-N 2.73Å; S739-Q743 PolarHBondContact O-N 3.38Å
740	R	79.9	Confident	72.4	Confident	113 Å²	113	66.5 Å²	66.5	43%	0.426	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-44.2	170.9	-72.4	-172.5	-77.5	-100.7	4.2	112	E736 D737 Q743 I744	E736-R740 VanDerWaalsContact CB-NH2 3.33Å; E736-R740 WeakPolarHBondContact O-CB 3.39Å; E736-R740 WeakPolarHBondContact O-CG 3.03Å; E736-R740 PolarHBondContact O-N 3.25Å; E736-R740 IonicContact OE2-CZ 2.72Å; E736-R740 VanDerWaalsContact OE2-CZ 3.25Å; E736-R740 IonicContact OE2-NH1 3.33Å; E736-R740 PolarHBondContact OE2-NH1 3.14Å; E736-R740 IonicContact OE2-NH2 2.75Å; E736-R740 PolarHBondContact OE2-NH2 3.49Å; D737-R740 IonicContact OD1-CZ 2.69Å; D737-R740 IonicContact OD1-NE 2.79Å; D737-R740 PolarHBondContact OD1-NE 2.94Å; D737-R740 IonicContact OD1-NH2 3.93Å; D737-R740 PolarHBondContact OD1-NH2 3.42Å; R740-Q743 PolarHBondContact O-N 3.41Å; R740-I744 WeakPolarHBondContact O-CB 3.28Å; R740-I744 WeakPolarHBondContact O-CD1 3.23Å; R740-I744 WeakPolarHBondContact O-CG1 3.33Å; R740-I744 PolarHBondContact O-N 3.21Å
741	C	81.1	Confident	73.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-38.8	178.8	170.8	0	0	0	0	112.9	C722 C724 D737 Y738 S739 I744 M745 Q805 H809	C722-C741 VanDerWaalsContact CB-SG 3.51Å; C722-C741 VanDerWaalsContact SG-SG 3.68Å; C724-C741 WeakPolarHBondContact SG-CB 3.5Å; D737-C741 WeakPolarHBondContact O-CB 3.21Å; D737-C741 PolarHBondContact O-N 2.98Å; Y738-C741 PolarHBondContact O-N 3.37Å; S739-C741 VanDerWaalsContact C-N 3.34Å; S739-C741 PolarHBondContact O-N 3.39Å; C741-I744 PolarHBondContact O-N 3.28Å; C741-M745 WeakPolarHBondContact O-CB 3.16Å; C741-M745 VanDerWaalsContact O-CG 3.31Å; C741-M745 WeakPolarHBondContact O-CG 3.38Å; C741-M745 PolarHBondContact O-N 3.4Å; C741-Q805 PolarHBondContact SG-NE2 3.18Å; C741-H809 PolarHBondContact SG-NE2 3.12Å
742	L	78.9	Confident	74.8	Confident	44 Å²	44	61.3 Å²	61.3	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-49.5	176.9	179	60.7	0	0	0	110.8	Y738 S739 M745 L746 L751 P801	Y738-L742 PolarHBondContact O-N 2.98Å; S739-L742 PolarHBondContact O-N 2.73Å; L742-M745 PolarHBondContact O-N 2.97Å; L742-L746 HydrophobicContact CG-CD1 4.46Å; L742-L746 WeakPolarHBondContact O-CG 3.25Å; L742-L746 PolarHBondContact O-N 2.94Å; L742-L746 VanDerWaalsContact O-N 3.12Å; L742-L751 HydrophobicContact CD1-CD1 3.89Å; L742-P801 HydrophobicContact CD1-CB 4.11Å; L742-P801 HydrophobicContact CD2-CB 3.76Å
743	Q	78.4	Confident	75.7	Confident	101 Å²	101	59.4 Å²	59.4	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-50	175.6	-167	62.8	51.6	0	0	111.4	S739 R740 M745 L746 D747	S739-Q743 PolarHBondContact O-N 3.38Å; R740-Q743 PolarHBondContact O-N 3.41Å; Q743-M745 PolarHBondContact O-N 3.35Å; Q743-M745 VanDerWaalsContact O-N 3.11Å; Q743-L746 WeakPolarHBondContact O-CB 3.43Å; Q743-L746 PolarHBondContact O-N 3.43Å; Q743-D747 PolarHBondContact NE2-OD1 3.08Å; Q743-D747 PolarHBondContact O-N 3Å
744	I	78.6	Confident	76.7	Confident	53 Å²	53	62 Å²	62	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-59.1	-27.1	178.7	-70.8	166.3	0	0	0	112.9	R740 C741 K748	R740-I744 WeakPolarHBondContact O-CB 3.28Å; R740-I744 WeakPolarHBondContact O-CD1 3.23Å; R740-I744 WeakPolarHBondContact O-CG1 3.33Å; R740-I744 PolarHBondContact O-N 3.21Å; C741-I744 PolarHBondContact O-N 3.28Å; I744-K748 HydrophobicContact CG2-CD 3.87Å; I744-K748 VanDerWaalsContact O-CB 3.28Å; I744-K748 WeakPolarHBondContact O-CB 3.34Å; I744-K748 WeakPolarHBondContact O-CD 3.3Å; I744-K748 VanDerWaalsContact O-CG 3.24Å; I744-K748 WeakPolarHBondContact O-CG 3.27Å; I744-K748 PolarHBondContact O-N 2.95Å
745	M	75.3	Confident	77.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-81.1	-32	174.6	-74	-173.5	-59.4	0	0	113.3	C741 L742 Q743 K750 L751 Q805 F808	C741-M745 WeakPolarHBondContact O-CB 3.16Å; C741-M745 VanDerWaalsContact O-CG 3.31Å; C741-M745 WeakPolarHBondContact O-CG 3.38Å; C741-M745 PolarHBondContact O-N 3.4Å; L742-M745 PolarHBondContact O-N 2.97Å; Q743-M745 PolarHBondContact O-N 3.35Å; Q743-M745 VanDerWaalsContact O-N 3.11Å; M745-K750 HydrophobicContact CB-CB 4.1Å; M745-K750 HydrophobicContact CG-CB 4.32Å; M745-K750 HydrophobicContact CG-CD 4.25Å; M745-K750 WeakPolarHBondContact O-CA 3.36Å; M745-K750 WeakPolarHBondContact O-CB 3.4Å; M745-K750 PolarHBondContact O-N 2.97Å; M745-L751 HydrophobicContact CB-CD1 4.13Å; M745-L751 HydrophobicContact CB-CG 4.06Å; M745-L751 HydrophobicContact CE-CD1 3.8Å; M745-L751 PolarHBondContact O-N 2.95Å; M745-L751 HydrophobicContact SD-CD1 4.4Å; M745-Q805 HydrophobicContact CE-CB 3.8Å; M745-Q805 HydrophobicContact CE-CG 3.76Å; M745-F808 HydrophobicContact SD-CB 3.82Å; M745-F808 HydrophobicContact SD-CD1 3.64Å; M745-F808 HydrophobicContact SD-CD2 4.36Å; M745-F808 HydrophobicContact SD-CE1 4.4Å; M745-F808 HydrophobicContact SD-CG 3.64Å
746	L	78.1	Confident	77.8	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	25%	0.25	C	C	.	.	H	α-helix	trans	-69.2	-54.3	172.3	-68.7	167.9	0	0	0	110.1	L742 Q743 K748 G749 L751 F753 Q763	L742-L746 HydrophobicContact CG-CD1 4.46Å; L742-L746 WeakPolarHBondContact O-CG 3.25Å; L742-L746 PolarHBondContact O-N 2.94Å; L742-L746 VanDerWaalsContact O-N 3.12Å; Q743-L746 WeakPolarHBondContact O-CB 3.43Å; Q743-L746 PolarHBondContact O-N 3.43Å; L746-K748 PolarHBondContact O-N 2.93Å; L746-K748 VanDerWaalsContact O-N 3.1Å; L746-G749 PolarHBondContact O-N 3.43Å; L746-L751 HydrophobicContact CD2-CB 3.8Å; L746-L751 HydrophobicContact CG-CB 4.45Å; L746-F753 HydrophobicContact CD1-CE2 3.87Å; L746-F753 HydrophobicContact CD1-CZ 4.11Å; L746-F753 HydrophobicContact CD2-CD2 4.13Å; L746-F753 HydrophobicContact CD2-CE2 3.62Å; L746-F753 HydrophobicContact CD2-CZ 4.18Å; L746-F753 HydrophobicContact CG-CE2 4.4Å; L746-Q763 WeakPolarHBondContact CB-O 3.13Å; L746-Q763 WeakPolarHBondContact O-CG 3.42Å
747	D	75.8	Confident	78	Confident	95 Å²	95	52.6 Å²	52.6	51%	0.508	26%	0.258	S	S	.	.	H	α-helix	trans	-56.4	-31.1	-179.4	-56.5	-17.7	0	0	0	113.4	Q743	Q743-D747 PolarHBondContact NE2-OD1 3.08Å; Q743-D747 PolarHBondContact O-N 3Å
748	K	73.3	Confident	78.4	Confident	139 Å²	139	54.1 Å²	54.1	60%	0.604	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	11.4	-179.7	-65	177	-177.7	168.8	0	113.4	I744 L746 K750	I744-K748 HydrophobicContact CG2-CD 3.87Å; I744-K748 VanDerWaalsContact O-CB 3.28Å; I744-K748 WeakPolarHBondContact O-CB 3.34Å; I744-K748 WeakPolarHBondContact O-CD 3.3Å; I744-K748 VanDerWaalsContact O-CG 3.24Å; I744-K748 WeakPolarHBondContact O-CG 3.27Å; I744-K748 PolarHBondContact O-N 2.95Å; L746-K748 PolarHBondContact O-N 2.93Å; L746-K748 VanDerWaalsContact O-N 3.1Å; K748-K750 HydrophobicContact CB-CG 4.43Å; K748-K750 PolarHBondContact O-N 3.33Å
749	G	70.3	Confident	78.7	Confident	18 Å²	18	55.9 Å²	55.9	19%	0.186	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	28.3	179.6	0	0	0	0	0	114.2	L746 W752	L746-G749 PolarHBondContact O-N 3.43Å; G749-W752 VanDerWaalsContact C-NE1 3.33Å; G749-W752 PolarHBondContact O-NE1 3.42Å
750	K	77.4	Confident	79.1	Confident	48 Å²	48	53.7 Å²	53.7	21%	0.209	28%	0.276	C	S	.	.	S	Bend	trans	-88.2	-28.7	173.9	-65.6	178.1	168.3	-170.5	0	111.8	T721 M745 K748 G792 F808	T721-K750 PolarHBondContact O-NZ 3.43Å; M745-K750 HydrophobicContact CB-CB 4.1Å; M745-K750 HydrophobicContact CG-CB 4.32Å; M745-K750 HydrophobicContact CG-CD 4.25Å; M745-K750 WeakPolarHBondContact O-CA 3.36Å; M745-K750 WeakPolarHBondContact O-CB 3.4Å; M745-K750 PolarHBondContact O-N 2.97Å; K748-K750 HydrophobicContact CB-CG 4.43Å; K748-K750 PolarHBondContact O-N 3.33Å; K750-G792 PolarHBondContact O-N 2.71Å; K750-F808 HydrophobicContact CB-CE2 4.04Å; K750-F808 HydrophobicContact CD-CE1 4.28Å; K750-F808 HydrophobicContact CD-CE2 4.06Å; K750-F808 HydrophobicContact CD-CZ 3.69Å; K750-F808 HydrophobicContact CG-CE2 4.27Å; K750-F808 HydrophobicContact CG-CZ 4.37Å
751	L	82.2	Confident	79.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.7	167.8	-64.9	-178.9	0	0	0	109.2	L742 M745 L746 I789 K790 C791 A804	L742-L751 HydrophobicContact CD1-CD1 3.89Å; M745-L751 HydrophobicContact CB-CD1 4.13Å; M745-L751 HydrophobicContact CB-CG 4.06Å; M745-L751 HydrophobicContact CE-CD1 3.8Å; M745-L751 PolarHBondContact O-N 2.95Å; M745-L751 HydrophobicContact SD-CD1 4.4Å; L746-L751 HydrophobicContact CD2-CB 3.8Å; L746-L751 HydrophobicContact CG-CB 4.45Å; L751-I789 HydrophobicContact CB-CG2 4.24Å; L751-I789 HydrophobicContact CD1-CG2 4.43Å; L751-I789 HydrophobicContact CD2-CG2 4.33Å; L751-K790 WeakPolarHBondContact CA-O 3.38Å; L751-C791 HydrophobicContact CD2-CB 4.16Å; L751-A804 HydrophobicContact CD1-CB 4.05Å; L751-A804 HydrophobicContact CD2-CB 3.98Å
752	W	83.6	Confident	79.3	Confident	95 Å²	95	53.7 Å²	53.7	36%	0.36	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136	179.5	-53.8	69.4	0	0	0	109.1	G749 Q763 I789 K790	G749-W752 VanDerWaalsContact C-NE1 3.33Å; G749-W752 PolarHBondContact O-NE1 3.42Å; W752-Q763 HydrophobicContact CD2-CG 4.07Å; W752-Q763 HydrophobicContact CE3-CG 3.72Å; W752-Q763 HydrophobicContact CZ3-CG 4Å; W752-Q763 VanDerWaalsContact CZ3-NE2 3.29Å; W752-I789 CarbonylContact O-C 3.4Å; W752-I789 WeakPolarHBondContact O-CA 3.37Å; W752-K790 PolarHBondContact N-O 3.15Å; W752-K790 PolarHBondContact O-N 2.87Å
753	F	84.2	Confident	79.3	Confident	10 Å²	10	54.7 Å²	54.7	4%	0.044	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.8	164.4	-58.9	-84.8	0	0	0	109.2	L746 T761 T762 Q763 L765 M768 Y787 I789	L746-F753 HydrophobicContact CD1-CE2 3.87Å; L746-F753 HydrophobicContact CD1-CZ 4.11Å; L746-F753 HydrophobicContact CD2-CD2 4.13Å; L746-F753 HydrophobicContact CD2-CE2 3.62Å; L746-F753 HydrophobicContact CD2-CZ 4.18Å; L746-F753 HydrophobicContact CG-CE2 4.4Å; F753-T761 CarbonylContact O-C 3.51Å; F753-T761 WeakPolarHBondContact O-CA 3.44Å; F753-T762 PolarHBondContact N-O 3.15Å; F753-T762 PolarHBondContact O-N 3.49Å; F753-Q763 WeakPolarHBondContact CE2-O 3.47Å; F753-L765 HydrophobicContact CD1-CD1 4.26Å; F753-L765 HydrophobicContact CE1-CB 4.38Å; F753-L765 HydrophobicContact CE1-CD1 3.85Å; F753-L765 HydrophobicContact CE2-CB 3.99Å; F753-L765 HydrophobicContact CZ-CB 3.82Å; F753-L765 HydrophobicContact CZ-CD1 4.16Å; F753-L765 HydrophobicContact CZ-CG 4.49Å; F753-M768 VanDerWaalsContact C-CE 3.42Å; F753-M768 HydrophobicContact CB-CB 4.21Å; F753-M768 HydrophobicContact CB-CE 3.61Å; F753-M768 HydrophobicContact CB-CG 4.21Å; F753-M768 WeakPolarHBondContact O-CE 3.49Å; F753-Y787 AromaticContact CD1-CD2 3.74Å; F753-Y787 HydrophobicContact CD1-CD2 3.74Å; F753-Y787 AromaticContact CD1-CE2 3.81Å; F753-Y787 HydrophobicContact CD1-CE2 3.81Å; F753-Y787 HydrophobicContact CE1-CD2 4.34Å; F753-Y787 AromaticContact CE1-CE2 3.93Å; F753-Y787 HydrophobicContact CE1-CE2 3.93Å; F753-I789 HydrophobicContact CD1-CD1 4.28Å; F753-I789 HydrophobicContact CD1-CG1 3.67Å; F753-I789 HydrophobicContact CE1-CD1 3.78Å; F753-I789 HydrophobicContact CE1-CG1 3.7Å
754	R	82.7	Confident	79.3	Confident	68 Å²	68	52.9 Å²	52.9	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.2	167.9	-176.1	-174.5	164.2	90.3	-0.1	109	C758 S759 A760 T761 M768 Y787 V788	R754-C758 PolarHBondContact NH2-O 3.43Å; R754-S759 PolarHBondContact NH1-O 3.39Å; R754-S759 PolarHBondContact NH2-OG 2.9Å; R754-A760 WeakPolarHBondContact CA-O 3.04Å; R754-T761 HydrophobicContact CB-CG2 3.89Å; R754-T761 HydrophobicContact CG-CG2 3.81Å; R754-M768 VanDerWaalsContact C-CE 3.44Å; R754-Y787 CarbonylContact O-C 3.54Å; R754-Y787 WeakPolarHBondContact O-CA 3.42Å; R754-Y787 WeakPolarHBondContact O-CB 3.29Å; R754-V788 HydrophobicContact CB-CG2 4.32Å; R754-V788 PolarHBondContact N-O 3.11Å; R754-V788 PolarHBondContact O-N 2.68Å
755	C	84.6	Confident	79.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.9	173.1	-175.2	0	0	0	0	110.3	L757 A760 M768 H776	C755-L757 VanDerWaalsContact C-N 3.33Å; C755-L757 PolarHBondContact SG-N 3.45Å; C755-L757 VanDerWaalsContact SG-N 3.36Å; C755-A760 HydrophobicContact CB-CB 4.47Å; C755-A760 PolarHBondContact N-O 3.22Å; C755-M768 HydrophobicContact CB-CE 4.41Å; C755-M768 HydrophobicContact CB-SD 3.81Å; C755-M768 VanDerWaalsContact N-CE 3.28Å; C755-H776 VanDerWaalsContact SG-CD2 3.59Å; C755-H776 PolarHBondContact SG-NE2 2.87Å
756	S	79.4	Confident	79.6	Confident	65 Å²	65	57.4 Å²	57.4	46%	0.455	31%	0.313	S	S	.	.	S	Bend	trans	-72.8	-30.5	174.5	-61.3	0	0	0	0	111.5	Q786 Y787	S756-Q786 WeakPolarHBondContact CB-O 3.5Å; S756-Q786 PolarHBondContact N-O 3.4Å; S756-Q786 PolarHBondContact OG-O 2.97Å; S756-Y787 WeakPolarHBondContact OG-CA 3.39Å; S756-Y787 PolarHBondContact OG-N 3.39Å
757	L	77.7	Confident	79.8	Confident	102 Å²	102	60.5 Å²	60.5	53%	0.534	33%	0.33	S	S	.	.	S	Bend	trans	-87.7	-15.2	-174.4	-55.2	177.6	0	0	0	114.1	C755 H776 Q786	C755-L757 VanDerWaalsContact C-N 3.33Å; C755-L757 PolarHBondContact SG-N 3.45Å; C755-L757 VanDerWaalsContact SG-N 3.36Å; L757-H776 HydrophobicContact CD1-CB 3.61Å; L757-Q786 HydrophobicContact CD1-CB 4.48Å
758	C	80.7	Confident	80.1	Confident	42 Å²	42	56 Å²	56	28%	0.284	31%	0.306	S	S	.	.	S	Bend	trans	-152.3	-167.8	178.7	84.6	0	0	0	0	113.6	R754 A760 H771	R754-C758 PolarHBondContact NH2-O 3.43Å; C758-A760 VanDerWaalsContact SG-CB 3.52Å; C758-A760 PolarHBondContact SG-N 3.08Å; C758-H771 PolarHBondContact SG-NE2 3.42Å
759	S	78.1	Confident	80.4	Confident	90 Å²	90	52.1 Å²	52.1	63%	0.629	29%	0.292	S	S	*	.	S	Bend	trans	-92.1	3.6	179	-78.8	0	0	0	0	116.2	R754	R754-S759 PolarHBondContact NH1-O 3.39Å; R754-S759 PolarHBondContact NH2-OG 2.9Å
760	A	81.4	Confident	81	Confident	31 Å²	31	54.7 Å²	54.7	26%	0.256	30%	0.301	S	S	.	.			trans	-62.7	141.7	177.4	0	0	0	0	0	112.5	R754 C755 C758 H771	R754-A760 WeakPolarHBondContact CA-O 3.04Å; C755-A760 HydrophobicContact CB-CB 4.47Å; C755-A760 PolarHBondContact N-O 3.22Å; C758-A760 VanDerWaalsContact SG-CB 3.52Å; C758-A760 PolarHBondContact SG-N 3.08Å; A760-H771 WeakPolarHBondContact CB-NE2 3.3Å
761	T	82.4	Confident	81.3	Confident	80 Å²	80	54.2 Å²	54.2	49%	0.491	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.6	177.5	52.9	0	0	0	0	110.7	F753 R754	F753-T761 CarbonylContact O-C 3.51Å; F753-T761 WeakPolarHBondContact O-CA 3.44Å; R754-T761 HydrophobicContact CB-CG2 3.89Å; R754-T761 HydrophobicContact CG-CG2 3.81Å
762	T	81.6	Confident	81.1	Confident	33 Å²	33	55 Å²	55	20%	0.202	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.3	172.6	175	0	0	0	0	110.4	F753 N764 D767 M768	F753-T762 PolarHBondContact N-O 3.15Å; F753-T762 PolarHBondContact O-N 3.49Å; T762-N764 VanDerWaalsContact CG2-O 3.24Å; T762-N764 WeakPolarHBondContact CG2-O 3.22Å; T762-N764 PolarHBondContact OG1-N 3.46Å; T762-D767 HydrophobicContact CG2-CB 4.08Å; T762-M768 HydrophobicContact CG2-CB 3.77Å; T762-M768 HydrophobicContact CG2-CE 3.89Å
763	Q	78.9	Confident	80.9	Confident	65 Å²	65	56 Å²	56	30%	0.304	31%	0.312	S	S	.	.	S	Bend	trans	-89.2	-15.4	174.3	-68	166.8	-4.2	0	0	111.9	L746 W752 F753	L746-Q763 WeakPolarHBondContact CB-O 3.13Å; L746-Q763 WeakPolarHBondContact O-CG 3.42Å; W752-Q763 HydrophobicContact CD2-CG 4.07Å; W752-Q763 HydrophobicContact CE3-CG 3.72Å; W752-Q763 HydrophobicContact CZ3-CG 4Å; W752-Q763 VanDerWaalsContact CZ3-NE2 3.29Å; F753-Q763 WeakPolarHBondContact CE2-O 3.47Å
764	N	79.1	Confident	80.6	Confident	64 Å²	64	63 Å²	63	34%	0.342	35%	0.345	S	S	.	.			trans	-107.2	132.6	-176.6	178.6	16.3	0	0	0	111.3	T762 T766 D767 M768	T762-N764 VanDerWaalsContact CG2-O 3.24Å; T762-N764 WeakPolarHBondContact CG2-O 3.22Å; T762-N764 PolarHBondContact OG1-N 3.46Å; N764-T766 PolarHBondContact OD1-N 3.42Å; N764-T766 VanDerWaalsContact OD1-N 3.17Å; N764-D767 HydrophobicContact CB-CB 4.24Å; N764-D767 VanDerWaalsContact CB-OD2 3.28Å; N764-D767 WeakPolarHBondContact CB-OD2 3.13Å; N764-D767 PolarHBondContact ND2-OD1 2.98Å; N764-D767 PolarHBondContact ND2-OD2 2.93Å; N764-D767 PolarHBondContact O-N 2.97Å; N764-M768 PolarHBondContact O-N 3.49Å
765	L	80	Confident	80.4	Confident	64 Å²	64	64.1 Å²	64.1	34%	0.335	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-41.5	178.1	179.5	59.4	0	0	0	111.9	F753 D767 M768 N769 Y787	F753-L765 HydrophobicContact CD1-CD1 4.26Å; F753-L765 HydrophobicContact CE1-CB 4.38Å; F753-L765 HydrophobicContact CE1-CD1 3.85Å; F753-L765 HydrophobicContact CE2-CB 3.99Å; F753-L765 HydrophobicContact CZ-CB 3.82Å; F753-L765 HydrophobicContact CZ-CD1 4.16Å; F753-L765 HydrophobicContact CZ-CG 4.49Å; L765-D767 VanDerWaalsContact C-N 3.27Å; L765-D767 PolarHBondContact O-N 3.39Å; L765-M768 WeakPolarHBondContact O-CB 3.27Å; L765-M768 PolarHBondContact O-N 3.49Å; L765-M768 VanDerWaalsContact O-N 3.09Å; L765-N769 PolarHBondContact O-N 2.66Å; L765-Y787 HydrophobicContact CD1-CE1 3.83Å; L765-Y787 HydrophobicContact CD1-CE2 4.2Å
766	T	80.3	Confident	80.1	Confident	83 Å²	83	66.3 Å²	66.3	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-39.6	-179.1	-48.2	0	0	0	0	111.3	N764 M768 N769 N770	N764-T766 PolarHBondContact OD1-N 3.42Å; N764-T766 VanDerWaalsContact OD1-N 3.17Å; T766-M768 VanDerWaalsContact C-N 3.34Å; T766-N769 PolarHBondContact O-N 3.24Å; T766-N770 VanDerWaalsContact O-CB 3.31Å; T766-N770 WeakPolarHBondContact O-CB 3.43Å; T766-N770 PolarHBondContact O-N 3.34Å; T766-N770 PolarHBondContact O-ND2 2.69Å
767	D	82.1	Confident	79.5	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-72.4	-28.2	178.4	-60.6	-31.5	0	0	0	112.4	T762 N764 L765 H771	T762-D767 HydrophobicContact CG2-CB 4.08Å; N764-D767 HydrophobicContact CB-CB 4.24Å; N764-D767 VanDerWaalsContact CB-OD2 3.28Å; N764-D767 WeakPolarHBondContact CB-OD2 3.13Å; N764-D767 PolarHBondContact ND2-OD1 2.98Å; N764-D767 PolarHBondContact ND2-OD2 2.93Å; N764-D767 PolarHBondContact O-N 2.97Å; L765-D767 VanDerWaalsContact C-N 3.27Å; L765-D767 PolarHBondContact O-N 3.39Å; D767-H771 VanDerWaalsContact O-CB 3.29Å; D767-H771 WeakPolarHBondContact O-CB 3.45Å; D767-H771 PolarHBondContact O-N 2.94Å
768	M	81.4	Confident	78.4	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-71.2	-45.6	172.7	-175.2	57.1	73.9	0	0	111.1	F753 R754 C755 T762 N764 L765 T766 N770 H771 I772 Y787	F753-M768 VanDerWaalsContact C-CE 3.42Å; F753-M768 HydrophobicContact CB-CB 4.21Å; F753-M768 HydrophobicContact CB-CE 3.61Å; F753-M768 HydrophobicContact CB-CG 4.21Å; F753-M768 WeakPolarHBondContact O-CE 3.49Å; R754-M768 VanDerWaalsContact C-CE 3.44Å; C755-M768 HydrophobicContact CB-CE 4.41Å; C755-M768 HydrophobicContact CB-SD 3.81Å; C755-M768 VanDerWaalsContact N-CE 3.28Å; T762-M768 HydrophobicContact CG2-CB 3.77Å; T762-M768 HydrophobicContact CG2-CE 3.89Å; N764-M768 PolarHBondContact O-N 3.49Å; L765-M768 WeakPolarHBondContact O-CB 3.27Å; L765-M768 PolarHBondContact O-N 3.49Å; L765-M768 VanDerWaalsContact O-N 3.09Å; T766-M768 VanDerWaalsContact C-N 3.34Å; M768-N770 VanDerWaalsContact C-N 3.35Å; M768-H771 WeakPolarHBondContact O-CB 3.42Å; M768-H771 PolarHBondContact O-N 2.96Å; M768-I772 HydrophobicContact CG-CD1 3.91Å; M768-I772 WeakPolarHBondContact O-CG1 3.24Å; M768-I772 PolarHBondContact O-N 3.03Å; M768-I772 HydrophobicContact SD-CD1 4.25Å; M768-I772 HydrophobicContact SD-CG1 4.45Å; M768-Y787 HydrophobicContact CG-CD1 4.26Å; M768-Y787 HydrophobicContact CG-CG 4.15Å
769	N	80.6	Confident	77.1	Confident	58 Å²	58	81.2 Å²	81.2	31%	0.31	42%	0.419	S	S	.	.	H	α-helix	trans	-64.6	-41.1	177.3	-66.5	-3.5	0	0	0	110.9	L765 T766 I772 H773	L765-N769 PolarHBondContact O-N 2.66Å; T766-N769 PolarHBondContact O-N 3.24Å; N769-I772 PolarHBondContact O-N 2.7Å; N769-H773 WeakPolarHBondContact O-CB 3.4Å; N769-H773 PolarHBondContact O-CD2 3.49Å; N769-H773 VanDerWaalsContact O-CG 3.3Å; N769-H773 PolarHBondContact O-N 2.93Å
770	N	82.6	Confident	75.4	Confident	72 Å²	72	80 Å²	80	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-45.2	171.4	-75.1	-24.8	0	0	0	111.9	T766 M768 I772 H773 Q774	T766-N770 VanDerWaalsContact O-CB 3.31Å; T766-N770 WeakPolarHBondContact O-CB 3.43Å; T766-N770 PolarHBondContact O-N 3.34Å; T766-N770 PolarHBondContact O-ND2 2.69Å; M768-N770 VanDerWaalsContact C-N 3.35Å; N770-I772 PolarHBondContact O-N 2.63Å; N770-H773 PolarHBondContact O-N 3.44Å; N770-Q774 VanDerWaalsContact O-CB 3.28Å; N770-Q774 WeakPolarHBondContact O-CB 3.47Å; N770-Q774 WeakPolarHBondContact O-CG 3.38Å; N770-Q774 PolarHBondContact O-N 2.91Å
771	H	83.4	Confident	73.8	Confident	38 Å²	38	86.8 Å²	86.8	18%	0.176	44%	0.443	C	S	.	.	H	α-helix	trans	-58.3	-46.6	174.7	166.6	66.2	0	0	0	112	C758 A760 D767 M768 Q774 V775 H776	C758-H771 PolarHBondContact SG-NE2 3.42Å; A760-H771 WeakPolarHBondContact CB-NE2 3.3Å; D767-H771 VanDerWaalsContact O-CB 3.29Å; D767-H771 WeakPolarHBondContact O-CB 3.45Å; D767-H771 PolarHBondContact O-N 2.94Å; M768-H771 WeakPolarHBondContact O-CB 3.42Å; M768-H771 PolarHBondContact O-N 2.96Å; H771-Q774 PolarHBondContact O-N 3.4Å; H771-V775 WeakPolarHBondContact ND1-CG2 3.38Å; H771-V775 WeakPolarHBondContact O-CB 3.41Å; H771-V775 WeakPolarHBondContact O-CG2 3.48Å; H771-V775 PolarHBondContact O-N 2.91Å; H771-H776 AromaticContact CD2-NE2 3.92Å; H771-H776 AromaticContact CE1-NE2 3.71Å; H771-H776 AromaticContact NE2-CD2 3.9Å; H771-H776 AromaticContact NE2-CE1 3.98Å; H771-H776 AromaticContact NE2-NE2 3.06Å; H771-H776 PolarHBondContact NE2-NE2 2.91Å
772	I	79.1	Confident	72.2	Confident	16 Å²	16	90.1 Å²	90.1	8%	0.082	45%	0.453	C	S	.	.	H	α-helix	trans	-61.7	-50	178.5	-69.1	160.7	0	0	0	110.6	M768 N769 N770 Q774 H776 Q786 Y787	M768-I772 HydrophobicContact CG-CD1 3.91Å; M768-I772 WeakPolarHBondContact O-CG1 3.24Å; M768-I772 PolarHBondContact O-N 3.03Å; M768-I772 HydrophobicContact SD-CD1 4.25Å; M768-I772 HydrophobicContact SD-CG1 4.45Å; N769-I772 PolarHBondContact O-N 2.7Å; N770-I772 PolarHBondContact O-N 2.63Å; I772-Q774 PolarHBondContact O-N 3.26Å; I772-H776 PolarHBondContact O-N 2.76Å; I772-Q786 HydrophobicContact CD1-CB 4.14Å; I772-Q786 HydrophobicContact CG2-CB 4.4Å; I772-Q786 VanDerWaalsContact CG2-OE1 3.26Å; I772-Y787 HydrophobicContact CD1-CD1 4.12Å
773	H	78	Confident	70.9	Confident	115 Å²	115	98.3 Å²	98.3	53%	0.532	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-12.2	178.6	-67	-40.6	0	0	0	115.1	N769 N770 K777	N769-H773 WeakPolarHBondContact O-CB 3.4Å; N769-H773 PolarHBondContact O-CD2 3.49Å; N769-H773 VanDerWaalsContact O-CG 3.3Å; N769-H773 PolarHBondContact O-N 2.93Å; N770-H773 PolarHBondContact O-N 3.44Å; H773-K777 HydrophobicContact CB-CD 4.42Å; H773-K777 VanDerWaalsContact O-CB 3.28Å; H773-K777 WeakPolarHBondContact O-CB 3.26Å; H773-K777 VanDerWaalsContact O-CD 3.22Å; H773-K777 WeakPolarHBondContact O-CD 3.35Å
774	Q	79.3	Confident	69.8	Low	158 Å²	158	102.8 Å²	102.8	74%	0.738	51%	0.51	S	S	*	.	H	α-helix	trans	-107.7	-26.6	178.5	-70.4	175.3	13.6	0	0	113.8	N770 H771 I772	N770-Q774 VanDerWaalsContact O-CB 3.28Å; N770-Q774 WeakPolarHBondContact O-CB 3.47Å; N770-Q774 WeakPolarHBondContact O-CG 3.38Å; N770-Q774 PolarHBondContact O-N 2.91Å; H771-Q774 PolarHBondContact O-N 3.4Å; I772-Q774 PolarHBondContact O-N 3.26Å
775	V	78.4	Confident	68.9	Low	91 Å²	91	105.6 Å²	105.6	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-110.9	-30	-172.8	-175.4	0	0	0	0	113	H771	H771-V775 WeakPolarHBondContact ND1-CG2 3.38Å; H771-V775 WeakPolarHBondContact O-CB 3.41Å; H771-V775 WeakPolarHBondContact O-CG2 3.48Å; H771-V775 PolarHBondContact O-N 2.91Å
776	H	77.8	Confident	68.8	Low	47 Å²	47	104.7 Å²	104.7	22%	0.218	52%	0.515	C	S	.	.	S	Bend	trans	-115.1	8.5	-175.2	-50.2	-52	0	0	0	113.5	C755 L757 H771 I772 E778	C755-H776 VanDerWaalsContact SG-CD2 3.59Å; C755-H776 PolarHBondContact SG-NE2 2.87Å; L757-H776 HydrophobicContact CD1-CB 3.61Å; H771-H776 AromaticContact CD2-NE2 3.92Å; H771-H776 AromaticContact CE1-NE2 3.71Å; H771-H776 AromaticContact NE2-CD2 3.9Å; H771-H776 AromaticContact NE2-CE1 3.98Å; H771-H776 AromaticContact NE2-NE2 3.06Å; H771-H776 PolarHBondContact NE2-NE2 2.91Å; I772-H776 PolarHBondContact O-N 2.76Å; H776-E778 VanDerWaalsContact C-N 3.28Å; H776-E778 PolarHBondContact O-N 3.24Å
777	K	66.3	Low	68.8	Low	155 Å²	155	102.4 Å²	102.4	67%	0.674	50%	0.497	S	S	*	.			trans	-82.9	59	-170.2	-161.1	-174.9	175.7	178.2	0	114.1	H773	H773-K777 HydrophobicContact CB-CD 4.42Å; H773-K777 VanDerWaalsContact O-CB 3.28Å; H773-K777 WeakPolarHBondContact O-CB 3.26Å; H773-K777 VanDerWaalsContact O-CD 3.22Å; H773-K777 WeakPolarHBondContact O-CD 3.35Å
778	E	55.7	Low	68.9	Low	170 Å²	170	99.6 Å²	99.6	79%	0.794	48%	0.483	S	S	*	.	S	Bend	trans	-133.2	105.1	157.6	-78.6	-162.3	169.5	0	0	111.1	H776	H776-E778 VanDerWaalsContact C-N 3.28Å; H776-E778 PolarHBondContact O-N 3.24Å
779	K	52.2	Low	69.1	Low	197 Å²	197	99.7 Å²	99.7	86%	0.857	48%	0.483	S	S	*	.	S	Bend	trans	68.9	89.3	166.8	-55.9	174.1	-176.9	171.8	0	117.4
780	S	42.3	Very low	69.1	Low	66 Å²	66	100.3 Å²	100.3	46%	0.462	48%	0.483	S	S	.	.			trans	-154.7	109	151.2	58.6	0	0	0	0	108.4	E782 Q786	S780-E782 PolarHBondContact O-N 3.22Å; S780-Q786 PolarHBondContact OG-NE2 2.75Å
781	D	47.6	Very low	69.1	Low	173 Å²	173	97 Å²	97	93%	0.925	47%	0.465	S	S	*	.			trans	-91.1	31	177.8	-61.7	-54	0	0	0	111.4
782	E	50.5	Low	68.7	Low	149 Å²	149	97.2 Å²	97.2	70%	0.696	48%	0.478	S	S	*	.	S	Bend	trans	-125.4	128.7	-174.7	-68.2	170.5	173	0	0	109.1	S780 E784	S780-E782 PolarHBondContact O-N 3.22Å; E782-E784 PolarHBondContact O-N 3.16Å
783	E	52.7	Low	68.5	Low	206 Å²	206	100.3 Å²	100.3	96%	0.963	50%	0.498	S	S	*	.			trans	-81.4	32.6	-166.7	-58.4	-163.1	138	0	0	115.1
784	E	56.9	Low	68.4	Low	159 Å²	159	96.7 Å²	96.7	74%	0.743	49%	0.485	S	S	*	.			trans	-67.5	143.3	179.1	-68.9	-153.6	143.2	0	0	113.3	E782 Q786	E782-E784 PolarHBondContact O-N 3.16Å; E784-Q786 WeakPolarHBondContact O-CG 3.31Å; E784-Q786 PolarHBondContact O-N 2.89Å
785	Q	60.8	Low	68.3	Low	123 Å²	123	94.5 Å²	94.5	58%	0.575	48%	0.483	S	S	*	.			trans	-75.7	94.1	179.4	-68.6	-177.2	-5.6	0	0	111.9	Y787	Q785-Y787 PolarHBondContact O-N 2.77Å
786	Q	76.4	Confident	68.3	Low	45 Å²	45	96.3 Å²	96.3	21%	0.21	48%	0.483	C	S	.	.			trans	-71.3	22.4	-175.5	-56	-175.2	-0.7	0	0	115.6	S756 L757 I772 S780 E784	S756-Q786 WeakPolarHBondContact CB-O 3.5Å; S756-Q786 PolarHBondContact N-O 3.4Å; S756-Q786 PolarHBondContact OG-O 2.97Å; L757-Q786 HydrophobicContact CD1-CB 4.48Å; I772-Q786 HydrophobicContact CD1-CB 4.14Å; I772-Q786 HydrophobicContact CG2-CB 4.4Å; I772-Q786 VanDerWaalsContact CG2-OE1 3.26Å; S780-Q786 PolarHBondContact OG-NE2 2.75Å; E784-Q786 WeakPolarHBondContact O-CG 3.31Å; E784-Q786 PolarHBondContact O-N 2.89Å
787	Y	80.4	Confident	68.5	Low	34 Å²	34	96.5 Å²	96.5	13%	0.133	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159.9	174.2	64.6	-99.5	0	0	0	112.6	F753 R754 S756 L765 M768 I772 Q785	F753-Y787 AromaticContact CD1-CD2 3.74Å; F753-Y787 HydrophobicContact CD1-CD2 3.74Å; F753-Y787 AromaticContact CD1-CE2 3.81Å; F753-Y787 HydrophobicContact CD1-CE2 3.81Å; F753-Y787 HydrophobicContact CE1-CD2 4.34Å; F753-Y787 AromaticContact CE1-CE2 3.93Å; F753-Y787 HydrophobicContact CE1-CE2 3.93Å; R754-Y787 CarbonylContact O-C 3.54Å; R754-Y787 WeakPolarHBondContact O-CA 3.42Å; R754-Y787 WeakPolarHBondContact O-CB 3.29Å; S756-Y787 WeakPolarHBondContact OG-CA 3.39Å; S756-Y787 PolarHBondContact OG-N 3.39Å; L765-Y787 HydrophobicContact CD1-CE1 3.83Å; L765-Y787 HydrophobicContact CD1-CE2 4.2Å; M768-Y787 HydrophobicContact CG-CD1 4.26Å; M768-Y787 HydrophobicContact CG-CG 4.15Å; I772-Y787 HydrophobicContact CD1-CD1 4.12Å; Q785-Y787 PolarHBondContact O-N 2.77Å
788	V	84.4	Confident	69.3	Low	19 Å²	19	90.7 Å²	90.7	12%	0.115	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.7	172.8	-65.8	0	0	0	0	111.2	R754 A797	R754-V788 HydrophobicContact CB-CG2 4.32Å; R754-V788 PolarHBondContact N-O 3.11Å; R754-V788 PolarHBondContact O-N 2.68Å; V788-A797 HydrophobicContact CG2-CB 4.42Å
789	I	85.1	Confident	70.3	Confident	2 Å²	2	88.5 Å²	88.5	1%	0.01	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.2	179.2	-61.7	168.2	0	0	0	108.9	L751 W752 F753 A797 F798 P801 A804	L751-I789 HydrophobicContact CB-CG2 4.24Å; L751-I789 HydrophobicContact CD1-CG2 4.43Å; L751-I789 HydrophobicContact CD2-CG2 4.33Å; W752-I789 CarbonylContact O-C 3.4Å; W752-I789 WeakPolarHBondContact O-CA 3.37Å; F753-I789 HydrophobicContact CD1-CD1 4.28Å; F753-I789 HydrophobicContact CD1-CG1 3.67Å; F753-I789 HydrophobicContact CE1-CD1 3.78Å; F753-I789 HydrophobicContact CE1-CG1 3.7Å; I789-A797 CarbonylContact O-C 3.58Å; I789-A797 WeakPolarHBondContact O-CA 3.45Å; I789-F798 PolarHBondContact N-O 3.21Å; I789-F798 PolarHBondContact O-N 3.42Å; I789-P801 HydrophobicContact CD1-CB 3.88Å; I789-P801 HydrophobicContact CD1-CG 3.7Å; I789-A804 HydrophobicContact CB-CB 4.34Å; I789-A804 HydrophobicContact CG2-CB 3.69Å
790	K	82.1	Confident	71.5	Confident	72 Å²	72	82 Å²	82	31%	0.313	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.7	177.9	-70.1	-168.7	174.3	-171.1	0	112.2	L751 W752 G792 K796 A797	L751-K790 WeakPolarHBondContact CA-O 3.38Å; W752-K790 PolarHBondContact N-O 3.15Å; W752-K790 PolarHBondContact O-N 2.87Å; K790-G792 PolarHBondContact O-N 3.44Å; K790-K796 VanDerWaalsContact CA-O 3.31Å; K790-K796 WeakPolarHBondContact CA-O 3.38Å; K790-A797 HydrophobicContact CG-CB 4.01Å
791	C	82.8	Confident	73.1	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.007	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.4	172.1	-178.9	0	0	0	0	111	L751 T793 C794 T795 K796 F798	L751-C791 HydrophobicContact CD2-CB 4.16Å; C791-T793 PolarHBondContact O-N 3.02Å; C791-C794 PolarHBondContact O-N 3.02Å; C791-T795 WeakPolarHBondContact O-CA 3.38Å; C791-T795 PolarHBondContact O-N 3.41Å; C791-K796 PolarHBondContact N-O 2.69Å; C791-F798 HydrophobicContact CB-CE2 4.42Å
792	G	74.8	Confident	74.5	Confident	43 Å²	43	79.3 Å²	79.3	44%	0.443	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16	179.2	0	0	0	0	0	114.4	K750 K790	K750-G792 PolarHBondContact O-N 2.71Å; K790-G792 PolarHBondContact O-N 3.44Å
793	T	73.7	Confident	76	Confident	82 Å²	82	74.3 Å²	74.3	50%	0.503	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-27.4	-179.3	-48.2	0	0	0	0	113.7	C791	C791-T793 PolarHBondContact O-N 3.02Å
794	C	77.2	Confident	77.2	Confident	39 Å²	39	64.5 Å²	64.5	26%	0.264	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	4.1	-173.8	72.2	0	0	0	0	115	C791 K796 H807 H812	C791-C794 PolarHBondContact O-N 3.02Å; C794-K796 PolarHBondContact O-N 3.37Å; C794-H807 PolarHBondContact SG-NE2 3.22Å; C794-H812 WeakPolarHBondContact CB-NE2 3.41Å
795	T	75.9	Confident	78.2	Confident	112 Å²	112	57.3 Å²	57.3	69%	0.687	31%	0.313	S	S	*	.			trans	56.8	2.4	179.7	68.8	0	0	0	0	117.7	C791	C791-T795 WeakPolarHBondContact O-CA 3.38Å; C791-T795 PolarHBondContact O-N 3.41Å
796	K	79.4	Confident	78.9	Confident	129 Å²	129	54.6 Å²	54.6	56%	0.561	30%	0.3	S	S	*	.			trans	-57.9	138.5	172.3	-69.5	-160.7	173.5	-148.5	0	111.7	K790 C791 C794 F798	K790-K796 VanDerWaalsContact CA-O 3.31Å; K790-K796 WeakPolarHBondContact CA-O 3.38Å; C791-K796 PolarHBondContact N-O 2.69Å; C794-K796 PolarHBondContact O-N 3.37Å; K796-F798 HydrophobicContact CB-CE2 3.83Å; K796-F798 HydrophobicContact CB-CZ 3.82Å; K796-F798 WeakPolarHBondContact O-CE2 3.41Å
797	A	82	Confident	79	Confident	51 Å²	51	53.8 Å²	53.8	42%	0.421	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	151.5	175.2	0	0	0	0	0	111.4	V788 I789 K790	V788-A797 HydrophobicContact CG2-CB 4.42Å; I789-A797 CarbonylContact O-C 3.58Å; I789-A797 WeakPolarHBondContact O-CA 3.45Å; K790-A797 HydrophobicContact CG-CB 4.01Å
798	F	83	Confident	78.9	Confident	33 Å²	33	52.4 Å²	52.4	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.4	176.4	-53.9	-85.6	0	0	0	107.5	I789 C791 K796 A804 H807	I789-F798 PolarHBondContact N-O 3.21Å; I789-F798 PolarHBondContact O-N 3.42Å; C791-F798 HydrophobicContact CB-CE2 4.42Å; K796-F798 HydrophobicContact CB-CE2 3.83Å; K796-F798 HydrophobicContact CB-CZ 3.82Å; K796-F798 WeakPolarHBondContact O-CE2 3.41Å; F798-A804 HydrophobicContact CB-CB 4Å; F798-A804 HydrophobicContact CD2-CB 3.69Å; F798-A804 HydrophobicContact CE2-CB 4.48Å; F798-A804 HydrophobicContact CG-CB 3.92Å; F798-H807 HydrophobicContact CE1-CB 3.81Å; F798-H807 HydrophobicContact CE2-CB 4.15Å; F798-H807 AromaticContact CE2-CD2 3.97Å; F798-H807 HydrophobicContact CZ-CB 3.46Å; F798-H807 VanDerWaalsContact CZ-CB 3.46Å; F798-H807 AromaticContact CZ-CD2 3.64Å; F798-H807 AromaticContact CZ-CG 3.34Å; F798-H807 AromaticContact CZ-ND1 3.93Å
799	H	76.3	Confident	78.6	Confident	123 Å²	123	53.2 Å²	53.2	57%	0.569	29%	0.294	S	S	*	.	S	Bend	trans	-88.3	-44.7	175.4	-65.4	-96.5	0	0	0	109.6
800	D	77.6	Confident	78.1	Confident	62 Å²	62	62 Å²	62	33%	0.332	33%	0.327	S	S	.	.	S	Bend	trans	-89.8	144	178.7	63.9	-57.7	0	0	0	113.6	E802 S803 A804	D800-E802 VanDerWaalsContact C-N 3.29Å; D800-E802 PolarHBondContact O-N 3.16Å; D800-S803 VanDerWaalsContact CG-OG 3.27Å; D800-S803 VanDerWaalsContact OD1-CB 3.23Å; D800-S803 WeakPolarHBondContact OD1-CB 3.24Å; D800-S803 PolarHBondContact OD1-OG 3.41Å; D800-S803 VanDerWaalsContact OD1-OG 3.13Å; D800-S803 WeakPolarHBondContact OD2-CA 3.5Å; D800-S803 WeakPolarHBondContact OD2-CB 3.23Å; D800-S803 PolarHBondContact OD2-N 3.27Å; D800-S803 PolarHBondContact OD2-OG 3.34Å; D800-A804 PolarHBondContact O-N 3.14Å
801	P	75.9	Confident	77.7	Confident	50 Å²	50	65.6 Å²	65.6	33%	0.325	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-32.2	175.2	-19.7	29.7	0	0	0	113.7	L742 I789 A804 Q805	L742-P801 HydrophobicContact CD1-CB 4.11Å; L742-P801 HydrophobicContact CD2-CB 3.76Å; I789-P801 HydrophobicContact CD1-CB 3.88Å; I789-P801 HydrophobicContact CD1-CG 3.7Å; P801-A804 PolarHBondContact O-N 3.46Å; P801-Q805 WeakPolarHBondContact O-CB 3.39Å; P801-Q805 PolarHBondContact O-N 2.71Å
802	E	77.5	Confident	77.4	Confident	131 Å²	131	67.5 Å²	67.5	61%	0.612	35%	0.351	S	S	*	.	H	α-helix	trans	-68.1	-42.7	-175.8	-66.3	-156.6	-177.1	0	0	112.3	D800 Q805 Q806	D800-E802 VanDerWaalsContact C-N 3.29Å; D800-E802 PolarHBondContact O-N 3.16Å; E802-Q805 PolarHBondContact O-N 3.32Å; E802-Q806 WeakPolarHBondContact O-CB 3.36Å; E802-Q806 VanDerWaalsContact O-CG 3.3Å; E802-Q806 WeakPolarHBondContact O-CG 3.4Å; E802-Q806 PolarHBondContact O-N 2.82Å
803	S	80.3	Confident	77.4	Confident	45 Å²	45	66.4 Å²	66.4	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-35.4	176.1	-65.8	0	0	0	0	112	D800 H807	D800-S803 VanDerWaalsContact CG-OG 3.27Å; D800-S803 VanDerWaalsContact OD1-CB 3.23Å; D800-S803 WeakPolarHBondContact OD1-CB 3.24Å; D800-S803 PolarHBondContact OD1-OG 3.41Å; D800-S803 VanDerWaalsContact OD1-OG 3.13Å; D800-S803 WeakPolarHBondContact OD2-CA 3.5Å; D800-S803 WeakPolarHBondContact OD2-CB 3.23Å; D800-S803 PolarHBondContact OD2-N 3.27Å; D800-S803 PolarHBondContact OD2-OG 3.34Å; S803-H807 WeakPolarHBondContact O-CB 3.49Å; S803-H807 PolarHBondContact O-N 2.68Å
804	A	77.9	Confident	77.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-44.3	171.7	0	0	0	0	0	111.5	L751 I789 F798 D800 P801 F808	L751-A804 HydrophobicContact CD1-CB 4.05Å; L751-A804 HydrophobicContact CD2-CB 3.98Å; I789-A804 HydrophobicContact CB-CB 4.34Å; I789-A804 HydrophobicContact CG2-CB 3.69Å; F798-A804 HydrophobicContact CB-CB 4Å; F798-A804 HydrophobicContact CD2-CB 3.69Å; F798-A804 HydrophobicContact CE2-CB 4.48Å; F798-A804 HydrophobicContact CG-CB 3.92Å; D800-A804 PolarHBondContact O-N 3.14Å; P801-A804 PolarHBondContact O-N 3.46Å; A804-F808 PolarHBondContact O-N 3.46Å
805	Q	78.1	Confident	77	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-67.3	-46.9	175.8	172.1	165.6	49.3	0	0	112.8	Y738 C741 M745 P801 E802 H807 F808 H809	Y738-Q805 PolarHBondContact O-NE2 2.82Å; C741-Q805 PolarHBondContact SG-NE2 3.18Å; M745-Q805 HydrophobicContact CE-CB 3.8Å; M745-Q805 HydrophobicContact CE-CG 3.76Å; P801-Q805 WeakPolarHBondContact O-CB 3.39Å; P801-Q805 PolarHBondContact O-N 2.71Å; E802-Q805 PolarHBondContact O-N 3.32Å; Q805-H807 VanDerWaalsContact C-N 3.29Å; Q805-H807 PolarHBondContact O-N 3.3Å; Q805-F808 PolarHBondContact O-N 2.72Å; Q805-H809 PolarHBondContact O-N 3.15Å
806	Q	76.5	Confident	76.1	Confident	65 Å²	65	71.7 Å²	71.7	30%	0.304	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-37.2	176.4	-74.4	-170	58	0	0	111.6	E802 H809 R810	E802-Q806 WeakPolarHBondContact O-CB 3.36Å; E802-Q806 VanDerWaalsContact O-CG 3.3Å; E802-Q806 WeakPolarHBondContact O-CG 3.4Å; E802-Q806 PolarHBondContact O-N 2.82Å; Q806-H809 PolarHBondContact O-N 2.86Å; Q806-R810 WeakPolarHBondContact O-CB 3.32Å; Q806-R810 VanDerWaalsContact O-CG 3.23Å; Q806-R810 WeakPolarHBondContact O-CG 3.33Å; Q806-R810 PolarHBondContact O-N 2.88Å
807	H	79	Confident	74.1	Confident	29 Å²	29	74.6 Å²	74.6	13%	0.134	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-49	172.4	175.1	71.5	0	0	0	111.3	C794 F798 S803 Q805 H809 R810 K811 H812	C794-H807 PolarHBondContact SG-NE2 3.22Å; F798-H807 HydrophobicContact CE1-CB 3.81Å; F798-H807 HydrophobicContact CE2-CB 4.15Å; F798-H807 AromaticContact CE2-CD2 3.97Å; F798-H807 HydrophobicContact CZ-CB 3.46Å; F798-H807 VanDerWaalsContact CZ-CB 3.46Å; F798-H807 AromaticContact CZ-CD2 3.64Å; F798-H807 AromaticContact CZ-CG 3.34Å; F798-H807 AromaticContact CZ-ND1 3.93Å; S803-H807 WeakPolarHBondContact O-CB 3.49Å; S803-H807 PolarHBondContact O-N 2.68Å; Q805-H807 VanDerWaalsContact C-N 3.29Å; Q805-H807 PolarHBondContact O-N 3.3Å; H807-H809 PolarHBondContact O-N 2.72Å; H807-R810 PolarHBondContact O-N 2.87Å; H807-K811 WeakPolarHBondContact O-CB 3.34Å; H807-K811 PolarHBondContact O-N 3.42Å; H807-H812 AromaticContact NE2-CD2 3.76Å; H807-H812 AromaticContact NE2-NE2 3.49Å; H807-H812 PolarHBondContact NE2-NE2 2.84Å
808	F	77.4	Confident	71.9	Confident	5 Å²	5	77.8 Å²	77.8	2%	0.022	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-46.5	177.2	-165.1	-83.8	0	0	0	111.4	M745 K750 A804 Q805 R810 K811 H812 C813	M745-F808 HydrophobicContact SD-CB 3.82Å; M745-F808 HydrophobicContact SD-CD1 3.64Å; M745-F808 HydrophobicContact SD-CD2 4.36Å; M745-F808 HydrophobicContact SD-CE1 4.4Å; M745-F808 HydrophobicContact SD-CG 3.64Å; K750-F808 HydrophobicContact CB-CE2 4.04Å; K750-F808 HydrophobicContact CD-CE1 4.28Å; K750-F808 HydrophobicContact CD-CE2 4.06Å; K750-F808 HydrophobicContact CD-CZ 3.69Å; K750-F808 HydrophobicContact CG-CE2 4.27Å; K750-F808 HydrophobicContact CG-CZ 4.37Å; A804-F808 PolarHBondContact O-N 3.46Å; Q805-F808 PolarHBondContact O-N 2.72Å; F808-R810 VanDerWaalsContact C-N 3.35Å; F808-R810 PolarHBondContact O-N 3.34Å; F808-K811 PolarHBondContact O-N 3.34Å; F808-H812 HydrophobicContact CD1-CB 4.31Å; F808-H812 HydrophobicContact CD2-CB 3.73Å; F808-H812 HydrophobicContact CE1-CB 4.09Å; F808-H812 HydrophobicContact CE2-CB 3.5Å; F808-H812 VanDerWaalsContact CE2-CB 3.5Å; F808-H812 HydrophobicContact CG-CB 4.12Å; F808-H812 HydrophobicContact CZ-CB 3.66Å; F808-H812 CarbonylContact O-C 3.57Å; F808-H812 WeakPolarHBondContact O-CA 3.23Å; F808-H812 PolarHBondContact O-N 3.41Å; F808-C813 HydrophobicContact CD1-CB 4.24Å; F808-C813 HydrophobicContact CE1-CB 4.24Å; F808-C813 PolarHBondContact O-N 2.79Å; F808-C813 VanDerWaalsContact O-N 3.1Å
809	H	77.6	Confident	69.3	Low	35 Å²	35	81.7 Å²	81.7	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-57	-42.7	175	-71.1	175.7	0	0	0	112.9	C722 Y738 C741 Q805 Q806 H807	C722-H809 PolarHBondContact SG-NE2 2.78Å; C722-H809 VanDerWaalsContact SG-NE2 3.37Å; Y738-H809 AromaticContact CZ-CE1 3.87Å; Y738-H809 AromaticContact CZ-ND1 3.81Å; C741-H809 PolarHBondContact SG-NE2 3.12Å; Q805-H809 PolarHBondContact O-N 3.15Å; Q806-H809 PolarHBondContact O-N 2.86Å; H807-H809 PolarHBondContact O-N 2.72Å
810	R	75.3	Confident	67.4	Low	188 Å²	188	82.7 Å²	82.7	71%	0.709	42%	0.419	S	S	*	.	H	α-helix	trans	-82.3	-14.7	-176.8	-67.1	178.6	-160	-163.9	11.8	115.1	Q806 H807 F808	Q806-R810 WeakPolarHBondContact O-CB 3.32Å; Q806-R810 VanDerWaalsContact O-CG 3.23Å; Q806-R810 WeakPolarHBondContact O-CG 3.33Å; Q806-R810 PolarHBondContact O-N 2.88Å; H807-R810 PolarHBondContact O-N 2.87Å; F808-R810 VanDerWaalsContact C-N 3.35Å; F808-R810 PolarHBondContact O-N 3.34Å
811	K	74.6	Confident	65	Low	147 Å²	147	83.6 Å²	83.6	64%	0.639	44%	0.435	S	S	*	.	H	α-helix	trans	-132.4	-20.3	-171.8	-66.7	-63.4	178.3	-171.5	0	116.4	H807 F808	H807-K811 WeakPolarHBondContact O-CB 3.34Å; H807-K811 PolarHBondContact O-N 3.42Å; F808-K811 PolarHBondContact O-N 3.34Å
812	H	75.1	Confident	62.9	Low	40 Å²	40	89.9 Å²	89.9	19%	0.185	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	2.7	-170.8	-59.7	-52.4	0	0	0	114	C794 H807 F808	C794-H812 WeakPolarHBondContact CB-NE2 3.41Å; H807-H812 AromaticContact NE2-CD2 3.76Å; H807-H812 AromaticContact NE2-NE2 3.49Å; H807-H812 PolarHBondContact NE2-NE2 2.84Å; F808-H812 HydrophobicContact CD1-CB 4.31Å; F808-H812 HydrophobicContact CD2-CB 3.73Å; F808-H812 HydrophobicContact CE1-CB 4.09Å; F808-H812 HydrophobicContact CE2-CB 3.5Å; F808-H812 VanDerWaalsContact CE2-CB 3.5Å; F808-H812 HydrophobicContact CG-CB 4.12Å; F808-H812 HydrophobicContact CZ-CB 3.66Å; F808-H812 CarbonylContact O-C 3.57Å; F808-H812 WeakPolarHBondContact O-CA 3.23Å; F808-H812 PolarHBondContact O-N 3.41Å
813	C	75.9	Confident	60.5	Low	20 Å²	20	94 Å²	94	14%	0.135	48%	0.476	C	S	.	.			trans	-105.1	135.2	-179.2	-154.8	0	0	0	0	111.6	C722 F808	C722-C813 PolarHBondContact SG-SG 2.85Å; F808-C813 HydrophobicContact CD1-CB 4.24Å; F808-C813 HydrophobicContact CE1-CB 4.24Å; F808-C813 PolarHBondContact O-N 2.79Å; F808-C813 VanDerWaalsContact O-N 3.1Å
814	F	73	Confident	58	Low	142 Å²	142	95.4 Å²	95.4	62%	0.623	50%	0.498	S	S	*	.			trans	-133.2	158.1	-178.2	-53.2	-81.7	0	0	0	110.9	T721	T721-F814 WeakPolarHBondContact CB-O 3.47Å; T721-F814 WeakPolarHBondContact CG2-O 3.38Å; T721-F814 PolarHBondContact N-O 3.06Å; T721-F814 PolarHBondContact OG1-N 3.46Å; T721-F814 PolarHBondContact OG1-O 2.68Å
815	L	69.4	Low	55.6	Low	84 Å²	84	100.7 Å²	100.7	44%	0.44	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-62.2	135.1	173.2	-81.7	164.3	0	0	0	112.1	N718 L720 E726 K817	N718-L815 HydrophobicContact CB-CD2 3.78Å; L720-L815 HydrophobicContact CD2-CD2 3.93Å; L720-L815 HydrophobicContact CD2-CG 4.12Å; E726-L815 HydrophobicContact CB-CD2 4.29Å; L815-K817 PolarHBondContact O-N 3.4Å
816	Q	56.6	Low	53.2	Low	119 Å²	119	107.2 Å²	107.2	56%	0.556	57%	0.565	S	S	*	*			trans	-84.2	110	175.2	-172.6	167	-15.7	0	0	109.6	Q719 T721	Q719-Q816 WeakPolarHBondContact O-CB 3.23Å; Q719-Q816 PolarHBondContact O-N 3.29Å; Q719-Q816 VanDerWaalsContact O-N 3.12Å; T721-Q816 HydrophobicContact CG2-CB 4.49Å
817	K	37	Very low	50.9	Low	190 Å²	190	111.8 Å²	111.8	83%	0.826	58%	0.584	S	S	*	*			trans	-64	138.4	175	-69.7	-171.2	178.2	-175.3	0	110.2	L815 S819	L815-K817 PolarHBondContact O-N 3.4Å; K817-S819 PolarHBondContact O-N 2.89Å
818	P	35.4	Very low	48.3	Very low	118 Å²	118	115.5 Å²	115.5	77%	0.766	61%	0.613	S	S	*	*			trans	-65.1	130.6	178.9	26.6	-34.3	0	0	0	111	V820	P818-V820 PolarHBondContact O-N 3.4Å; P818-V820 VanDerWaalsContact O-N 3.16Å
819	S	29.3	Very low	45.8	Very low	114 Å²	114	125.2 Å²	125.2	80%	0.797	66%	0.656	S	S	*	*			trans	-82.7	89.4	-178.4	55.1	0	0	0	0	111.6	K817 A821	K817-S819 PolarHBondContact O-N 2.89Å; S819-A821 PolarHBondContact O-N 3.25Å
820	V	35.1	Very low	43.4	Very low	145 Å²	145	129.7 Å²	129.7	88%	0.879	68%	0.68	S	S	*	*			trans	-72.7	106.6	167.4	-179.1	0	0	0	0	108.5	P818	P818-V820 PolarHBondContact O-N 3.4Å; P818-V820 VanDerWaalsContact O-N 3.16Å
821	A	28.5	Very low	40.9	Very low	81 Å²	81	130.3 Å²	130.3	67%	0.669	68%	0.684	S	S	*	*			trans	-142.5	44.6	-169.7	0	0	0	0	0	114.4	S819	S819-A821 PolarHBondContact O-N 3.25Å
822	H	31.2	Very low	38.4	Very low	181 Å²	181	130.3 Å²	130.3	84%	0.838	68%	0.684	S	S	*	*			trans	-154.7	92.2	158	-118.9	68.9	0	0	0	112.9
823	F	28.3	Very low	36	Very low	217 Å²	217	136.3 Å²	136.3	95%	0.952	71%	0.709	S	S	*	*	S	Bend	trans	-161.6	160.2	140.5	-104	-67.6	0	0	0	108.9
824	G	26.1	Very low	33.4	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	74%	0.742	S	S	*	*			trans	-82.3	170.3	-154.1	0	0	0	0	0	118.5
825	S	29.2	Very low	31	Very low	112 Å²	112	139 Å²	139	78%	0.783	75%	0.746	S	S	*	*			trans	-55.9	139.6	176.3	147.6	0	0	0	0	114.8
826	E	27.1	Very low	28.8	Very low	145 Å²	145	140.6 Å²	140.6	68%	0.678	76%	0.764	S	S	*	*				-159.2	136	111.7	-96.1	-148.8	153.3	0	0	116
827	K	28.8	Very low	27.3	Very low	160 Å²	160	139.9 Å²	139.9	70%	0.696	78%	0.778	S	S	*	*			trans	48.1	105.2	143.4	-64.5	170.3	-176.7	150	0	122
828	S	23.3	Very low	26.6	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	78%	0.78	S	S	*	*				68.7	112.4	119.1	-164.3	0	0	0	0	121.6
829	K	25.3	Very low	26.1	Very low	210 Å²	210	140 Å²	140	91%	0.913	79%	0.785	S	S	*	*				-156.9	172.1	115.6	-106.9	162.6	-172.5	174.9	0	111.1
830	L	26	Very low	25.8	Very low	129 Å²	129	140.6 Å²	140.6	68%	0.675	78%	0.784	S	S	*	*			trans	-141.3	153.1	-147.9	-170.3	62.6	0	0	0	113.5
831	Y	23.8	Very low	25.3	Very low	201 Å²	201	142.7 Å²	142.7	79%	0.788	78%	0.784	S	S	*	*			trans	74.7	161.2	171.2	-54.3	-56.2	0	0	0	118.9
832	K	22.9	Very low	25.2	Very low	146 Å²	146	149.2 Å²	149.2	64%	0.635	79%	0.791	S	S	*	*			cis	-176.5	156.2	-41.3	-155.9	172.6	174.1	-175.3	0	109.1
833	F	23.2	Very low	24.7	Very low	166 Å²	166	150.7 Å²	150.7	73%	0.728	80%	0.795	S	S	*	*			trans	64.6	165.4	164.4	-63.2	-56.3	0	0	0	116.4
834	T	22.3	Very low	24.4	Very low	135 Å²	135	147.1 Å²	147.1	83%	0.828	79%	0.785	S	S	*	*			cis	-143.4	176.6	-6.7	-11.5	0	0	0	0	110.2
835	A	22.6	Very low	24.4	Very low	85 Å²	85	152.1 Å²	152.1	70%	0.702	79%	0.786	S	S	*	*			trans	-94.3	176	173.3	0	0	0	0	0	113.8
836	S	22.9	Very low	24.1	Very low	116 Å²	116	155.4 Å²	155.4	81%	0.811	79%	0.789	S	S	*	*			trans	96.8	119	153.3	-57	0	0	0	0	120.8
837	A	24.1	Very low	23.8	Very low	104 Å²	104	152.8 Å²	152.8	86%	0.86	79%	0.792	S	S	*	*			trans	64.5	133.6	137.9	0	0	0	0	0	122.1
838	S	22.9	Very low	23.4	Very low	122 Å²	122	152.2 Å²	152.2	85%	0.853	80%	0.801	S	S	*	*			trans	-145.8	151.6	143.3	55.9	0	0	0	0	109.6
839	H	25.5	Very low	23.3	Very low	190 Å²	190	153.9 Å²	153.9	88%	0.88	80%	0.802	S	S	*	*			trans	-147.1	125.2	-172	-124.6	-48.2	0	0	0	109.5
840	T	22.7	Very low	23.1	Very low	125 Å²	125	153.2 Å²	153.2	77%	0.767	80%	0.795	S	S	*	*			trans	-167.3	145.5	165.8	22.8	0	0	0	0	107.3
841	E	25	Very low	23	Very low	189 Å²	189	151.8 Å²	151.8	88%	0.883	80%	0.796	S	S	*	*			cis	-147.7	-160.5	-4.6	-148.4	169.4	-141.7	0	0	111.1
842	R	26.1	Very low	22.9	Very low	219 Å²	219	149.8 Å²	149.8	83%	0.826	79%	0.791	S	S	*	*			trans	-139.6	136.8	-152.3	-176.4	-170.7	-167.7	-177.4	6.5	113.3
843	K	21.3	Very low	22.8	Very low	212 Å²	212	148.1 Å²	148.1	92%	0.922	80%	0.798	S	S	*	*			trans	-149.6	161.4	158.8	-108.5	165.5	-172.8	173.9	0	111
844	L	22.2	Very low	22.9	Very low	141 Å²	141	145.7 Å²	145.7	74%	0.738	79%	0.792	S	S	*	*			trans	-154.2	157.7	-159.5	-170.6	72.4	0	0	0	112.3
845	K	24.7	Very low	22.9	Very low	180 Å²	180	145 Å²	145	78%	0.783	78%	0.783	S	S	*	*			trans	78.9	154.1	175.4	-47.6	-172.4	-178.2	-177.9	0	113
846	Q	22.6	Very low	23.1	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	78%	0.784	S	S	*	*			cis	-146.4	165.5	16.9	-165	161.4	-25.4	0	0	112
847	A	20.9	Very low	23.2	Very low	90 Å²	90	147.9 Å²	147.9	74%	0.744	77%	0.773	S	S	*	*			trans	-115.4	152.9	178.3	0	0	0	0	0	112.4
848	V	22	Very low	23.3	Very low	147 Å²	147	151.4 Å²	151.4	89%	0.891	77%	0.769	S	S	*	*			trans	-138.9	150.8	168	-179.2	0	0	0	0	107.8
849	N	21	Very low	23.3	Very low	143 Å²	143	149 Å²	149	77%	0.765	76%	0.764	S	S	*	*			trans	-152	176.6	-172	-161.9	-7.1	0	0	0	110.1
850	Y	21	Very low	23.3	Very low	196 Å²	196	147 Å²	147	77%	0.769	76%	0.764	S	S	*	*			trans	73.1	146.8	-177.3	-89.1	-123.1	0	0	0	115
851	S	22.4	Very low	23.5	Very low	99 Å²	99	150.1 Å²	150.1	69%	0.692	77%	0.77	S	S	*	*			cis	-175.5	176.4	-4.7	39.9	0	0	0	0	111.2
852	K	22.6	Very low	23.7	Very low	158 Å²	158	149.2 Å²	149.2	69%	0.687	77%	0.771	S	S	*	*			cis	174.1	119.3	-37.3	-176.8	-169.5	-176.7	-166.6	0	109.8	L854	K852-L854 HydrophobicContact CD-CD1 4.43Å
853	S	21.4	Very low	23.6	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	77%	0.769	S	S	*	*			trans	-167	128.3	161.5	53.9	0	0	0	0	108.1
854	L	24	Very low	23.7	Very low	115 Å²	115	142.7 Å²	142.7	60%	0.602	76%	0.763	S	S	*	*			cis	63.6	132.7	39	-58.6	173.1	0	0	0	111.9	K852	K852-L854 HydrophobicContact CD-CD1 4.43Å
855	D	23.2	Very low	23.9	Very low	120 Å²	120	141 Å²	141	64%	0.642	76%	0.762	S	S	*	*			cis	-156.7	158.4	9.7	-104.5	-31.6	0	0	0	108.2
856	L	26	Very low	24	Very low	137 Å²	137	143.6 Å²	143.6	72%	0.717	77%	0.769	S	S	*	*			cis	-157.5	-165	-4.8	-155.4	31.8	0	0	0	105.3
857	E	25.7	Very low	24.2	Very low	126 Å²	126	142.9 Å²	142.9	59%	0.589	77%	0.765	S	S	*	*			cis	-157.1	151.5	8.6	-172.9	157.2	-104	0	0	113.4
858	K	25.1	Very low	24.5	Very low	177 Å²	177	145.3 Å²	145.3	77%	0.77	77%	0.766	S	S	*	*			trans	30	129.7	158.6	-65.4	159.2	-158	150.4	0	122.3
859	G	23.6	Very low	24.8	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	76%	0.76	S	S	*	*			trans	-166.8	22.5	166.4	0	0	0	0	0	118.7
860	V	26	Very low	25.2	Very low	146 Å²	146	146 Å²	146	89%	0.885	76%	0.758	S	S	*	*			trans	58.2	115.9	177.8	-171.8	0	0	0	0	115.9
861	E	26.4	Very low	25.8	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	76%	0.763	S	S	*	*			trans	-81.9	153.1	173.5	-67.8	-174.1	126	0	0	112.5
862	N	30.5	Very low	26.4	Very low	169 Å²	169	148.4 Å²	148.4	90%	0.904	77%	0.765	S	S	*	*			trans	-75.8	138.9	180	-66.6	-66.9	0	0	0	112
863	D	22.4	Very low	27.2	Very low	144 Å²	144	148.3 Å²	148.3	77%	0.77	77%	0.771	S	S	*	*			trans	-140.6	152.5	157.5	-155.6	1.1	0	0	0	110.2
864	L	24.8	Very low	28.5	Very low	151 Å²	151	146.2 Å²	146.2	79%	0.791	75%	0.753	S	S	*	*			trans	43.8	98.6	168.8	-65.8	167	0	0	0	119.2
865	S	25.7	Very low	30.1	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	76%	0.762	S	S	*	*				-169	101.8	118.3	33.7	0	0	0	0	112.9	Q867	S865-Q867 PolarHBondContact O-N 3.06Å
866	Y	26.8	Very low	32.6	Very low	235 Å²	235	147.5 Å²	147.5	92%	0.922	76%	0.755	S	S	*	*			trans	-76.1	98.6	144.3	-96	-97.8	0	0	0	106.2	N868	Y866-N868 PolarHBondContact O-N 3.01Å
867	Q	26	Very low	35.1	Very low	166 Å²	166	141.9 Å²	141.9	78%	0.776	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-68.2	116.2	160.5	-75.7	-177.6	-40.1	0	0	107	S865 I869	S865-Q867 PolarHBondContact O-N 3.06Å; Q867-I869 PolarHBondContact O-N 3.48Å
868	N	27.8	Very low	37.6	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-59.8	130.7	155.6	-57.3	-44.2	0	0	0	105.8	Y866	Y866-N868 PolarHBondContact O-N 3.01Å
869	I	27.6	Very low	40.3	Very low	151 Å²	151	134.8 Å²	134.8	77%	0.774	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-101.3	121.9	158.5	-62	176.2	0	0	0	102.8	Q867	Q867-I869 PolarHBondContact O-N 3.48Å
870	E	29.4	Very low	42.9	Very low	153 Å²	153	135.9 Å²	135.9	72%	0.715	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-53.6	147.4	174.7	-68	76.9	-152.7	0	0	109.8	E872	E870-E872 PolarHBondContact O-N 3.14Å
871	E	35.1	Very low	45.7	Very low	189 Å²	189	132.5 Å²	132.5	88%	0.883	66%	0.661	S	S	*	*			trans	-75.2	72.5	163	-72.8	-167.7	141.8	0	0	108.1	I873	E871-I873 PolarHBondContact O-N 3.46Å
872	E	35.1	Very low	48.4	Very low	157 Å²	157	123.4 Å²	123.4	73%	0.734	62%	0.619	S	S	*	*			trans	-45.9	127	171.1	-172.1	174.7	-135.7	0	0	108.9	E870 V874	E870-E872 PolarHBondContact O-N 3.14Å; E872-V874 PolarHBondContact O-N 2.98Å
873	I	39	Very low	51	Low	157 Å²	157	120.7 Å²	120.7	81%	0.805	60%	0.596	S	S	*	*			trans	-75.8	82.7	-180	-57.9	178	0	0	0	107.1	E871 E875	E871-I873 PolarHBondContact O-N 3.46Å; I873-E875 PolarHBondContact O-N 2.79Å
874	V	48.9	Very low	53.9	Low	67 Å²	67	118.4 Å²	118.4	41%	0.406	59%	0.587	S	S	.	*			trans	-65.4	98.6	177.9	-178.2	0	0	0	0	108.5	E872 F942 P945	E872-V874 PolarHBondContact O-N 2.98Å; V874-F942 HydrophobicContact CG1-CE2 3.55Å; V874-F942 HydrophobicContact CG1-CZ 3.71Å; V874-P945 HydrophobicContact CB-CG 4.4Å
875	E	57.8	Low	56.9	Low	168 Å²	168	111.9 Å²	111.9	79%	0.785	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-57.6	144	172.2	-61.8	-166.5	130.7	0	0	110.2	I873 F942	I873-E875 PolarHBondContact O-N 2.79Å; E875-F942 VanDerWaalsContact O-CE2 3.31Å; E875-F942 WeakPolarHBondContact O-CE2 3.41Å
876	L	75.8	Confident	59.8	Low	93 Å²	93	108.2 Å²	108.2	49%	0.487	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-71	152.7	176.6	-66.1	175.9	0	0	0	110	D878 W914 F942	L876-D878 PolarHBondContact O-N 3.4Å; L876-W914 HydrophobicContact CD2-CZ2 4.14Å; L876-F942 HydrophobicContact CD2-CE1 4.19Å; L876-F942 HydrophobicContact CD2-CZ 4.21Å
877	P	77.7	Confident	62.9	Low	20 Å²	20	97 Å²	97	13%	0.13	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-56.5	133.6	178.4	-23.2	33.7	0	0	0	111.2	L879 L882 F912 W914 F942	P877-L879 PolarHBondContact O-N 3.08Å; P877-L882 HydrophobicContact CB-CD1 4.14Å; P877-L882 HydrophobicContact CB-CD2 4.38Å; P877-L882 HydrophobicContact CB-CG 4.2Å; P877-F912 HydrophobicContact CB-CZ 4.05Å; P877-F912 HydrophobicContact CG-CE1 4.48Å; P877-F912 HydrophobicContact CG-CZ 3.87Å; P877-W914 HydrophobicContact CG-CH2 4.35Å; P877-W914 HydrophobicContact CG-CZ3 4.34Å; P877-F942 HydrophobicContact CG-CB 3.81Å; P877-F942 HydrophobicContact CG-CD1 3.69Å; P877-F942 HydrophobicContact CG-CD2 3.68Å; P877-F942 HydrophobicContact CG-CE1 4.11Å; P877-F942 HydrophobicContact CG-CE2 4.1Å; P877-F942 HydrophobicContact CG-CG 3.45Å; P877-F942 VanDerWaalsContact CG-CG 3.45Å; P877-F942 HydrophobicContact CG-CZ 4.3Å
878	D	79.1	Confident	66.1	Low	96 Å²	96	89.1 Å²	89.1	51%	0.513	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-56.7	134.6	177.9	170	36.5	0	0	0	111.3	L876 D880 Y881 L882	L876-D878 PolarHBondContact O-N 3.4Å; D878-D880 VanDerWaalsContact C-N 3.31Å; D878-D880 PolarHBondContact O-N 3.01Å; D878-D880 PolarHBondContact OD1-N 3.39Å; D878-D880 PolarHBondContact OD2-N 3.22Å; D878-Y881 PolarHBondContact O-N 2.95Å; D878-Y881 PolarHBondContact OD2-N 2.9Å; D878-L882 WeakPolarHBondContact O-CG 3.37Å; D878-L882 PolarHBondContact O-N 2.82Å
879	L	79.9	Confident	69.2	Low	57 Å²	57	82.4 Å²	82.4	30%	0.298	41%	0.41	S	S	.	.	H	α-helix	trans	-67.4	-32.8	179.3	-65.5	174.5	0	0	0	111.6	P877 L882 R883 L965	P877-L879 PolarHBondContact O-N 3.08Å; L879-L882 PolarHBondContact O-N 3.5Å; L879-R883 WeakPolarHBondContact O-CD 3.49Å; L879-R883 VanDerWaalsContact O-CG 3.23Å; L879-R883 WeakPolarHBondContact O-CG 3.48Å; L879-R883 PolarHBondContact O-N 2.92Å; L879-L965 HydrophobicContact CD2-CD2 3.69Å
880	D	79.5	Confident	72.4	Confident	96 Å²	96	75.2 Å²	75.2	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-75.4	-32.7	176.9	-76.2	-33.5	0	0	0	112	D878 R883	D878-D880 VanDerWaalsContact C-N 3.31Å; D878-D880 PolarHBondContact O-N 3.01Å; D878-D880 PolarHBondContact OD1-N 3.39Å; D878-D880 PolarHBondContact OD2-N 3.22Å; D880-R883 PolarHBondContact O-N 3.28Å; D880-R883 VanDerWaalsContact OD1-CD 3.24Å; D880-R883 WeakPolarHBondContact OD1-CD 3.17Å; D880-R883 IonicContact OD1-CZ 3.78Å; D880-R883 IonicContact OD1-NE 2.66Å; D880-R883 IonicContact OD1-NH1 3.32Å; D880-R883 PolarHBondContact OD1-NH1 2.98Å
881	Y	84	Confident	75.3	Confident	76 Å²	76	68 Å²	68	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-48.2	163.8	-178.3	-114.6	0	0	0	112.3	D878 R883 T884 M885 F912 I938 G939	D878-Y881 PolarHBondContact O-N 2.95Å; D878-Y881 PolarHBondContact OD2-N 2.9Å; Y881-R883 PolarHBondContact O-N 2.73Å; Y881-T884 PolarHBondContact O-N 3.46Å; Y881-T884 PolarHBondContact O-OG1 3.4Å; Y881-M885 HydrophobicContact CD1-CE 4.15Å; Y881-M885 HydrophobicContact CD2-CE 4.05Å; Y881-M885 HydrophobicContact CE1-CE 3.66Å; Y881-M885 HydrophobicContact CE2-CE 3.55Å; Y881-M885 HydrophobicContact CG-CE 4.34Å; Y881-F912 HydrophobicContact CE1-CD2 4.22Å; Y881-F912 HydrophobicContact CE1-CE2 4.01Å; Y881-I938 PolarHBondContact OH-O 2.88Å; Y881-I938 VanDerWaalsContact OH-O 3.08Å; Y881-G939 WeakPolarHBondContact OH-CA 3.1Å; Y881-G939 PolarHBondContact OH-O 2.85Å
882	L	84.6	Confident	77.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-25.7	178.3	-72.3	178.7	0	0	0	113.5	P877 D878 L879 T884 M885 I888 F912 W914 L965 L969	P877-L882 HydrophobicContact CB-CD1 4.14Å; P877-L882 HydrophobicContact CB-CD2 4.38Å; P877-L882 HydrophobicContact CB-CG 4.2Å; D878-L882 WeakPolarHBondContact O-CG 3.37Å; D878-L882 PolarHBondContact O-N 2.82Å; L879-L882 PolarHBondContact O-N 3.5Å; L882-T884 PolarHBondContact O-N 3.23Å; L882-M885 HydrophobicContact CD2-CG 4.42Å; L882-M885 WeakPolarHBondContact O-CB 3.44Å; L882-M885 PolarHBondContact O-N 3.45Å; L882-I888 HydrophobicContact CD2-CD1 4.24Å; L882-F912 HydrophobicContact CD2-CD1 3.8Å; L882-F912 HydrophobicContact CD2-CD2 3.86Å; L882-F912 HydrophobicContact CD2-CE1 3.83Å; L882-F912 HydrophobicContact CD2-CE2 3.92Å; L882-F912 HydrophobicContact CD2-CG 3.81Å; L882-F912 HydrophobicContact CD2-CZ 3.89Å; L882-W914 HydrophobicContact CD1-CZ3 3.99Å; L882-L965 HydrophobicContact CD1-CD1 4.37Å; L882-L965 HydrophobicContact CD1-CD2 3.85Å; L882-L969 HydrophobicContact CB-CD1 4.33Å; L882-L969 HydrophobicContact CB-CD2 4.01Å
883	R	84.6	Confident	80.4	Confident	113 Å²	113	51.9 Å²	51.9	43%	0.426	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.2	171.9	-78.7	165.2	176	169	0.4	114.2	L879 D880 Y881 Q968 L969 P970	L879-R883 WeakPolarHBondContact O-CD 3.49Å; L879-R883 VanDerWaalsContact O-CG 3.23Å; L879-R883 WeakPolarHBondContact O-CG 3.48Å; L879-R883 PolarHBondContact O-N 2.92Å; D880-R883 PolarHBondContact O-N 3.28Å; D880-R883 VanDerWaalsContact OD1-CD 3.24Å; D880-R883 WeakPolarHBondContact OD1-CD 3.17Å; D880-R883 IonicContact OD1-CZ 3.78Å; D880-R883 IonicContact OD1-NE 2.66Å; D880-R883 IonicContact OD1-NH1 3.32Å; D880-R883 PolarHBondContact OD1-NH1 2.98Å; Y881-R883 PolarHBondContact O-N 2.73Å; R883-Q968 PolarHBondContact NE-O 2.69Å; R883-Q968 PolarHBondContact NH2-O 3.16Å; R883-L969 HydrophobicContact CG-CD2 3.77Å; R883-P970 HydrophobicContact CG-CG 4.39Å
884	T	82.4	Confident	82.4	Confident	96 Å²	96	46.7 Å²	46.7	59%	0.589	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.9	175.4	69.3	0	0	0	0	113.7	Y881 L882	Y881-T884 PolarHBondContact O-N 3.46Å; Y881-T884 PolarHBondContact O-OG1 3.4Å; L882-T884 PolarHBondContact O-N 3.23Å
885	M	87.3	Confident	84	Confident	13 Å²	13	48.3 Å²	48.3	6%	0.064	24%	0.244	C	C	.	.			trans	-84.8	140.3	-178.9	-60	-65.1	133.8	0	0	111.6	Y881 L882 I888 G910 F912 I973	Y881-M885 HydrophobicContact CD1-CE 4.15Å; Y881-M885 HydrophobicContact CD2-CE 4.05Å; Y881-M885 HydrophobicContact CE1-CE 3.66Å; Y881-M885 HydrophobicContact CE2-CE 3.55Å; Y881-M885 HydrophobicContact CG-CE 4.34Å; L882-M885 HydrophobicContact CD2-CG 4.42Å; L882-M885 WeakPolarHBondContact O-CB 3.44Å; L882-M885 PolarHBondContact O-N 3.45Å; M885-I888 HydrophobicContact CB-CG1 4.41Å; M885-G910 CarbonylContact C-O 3.59Å; M885-G910 WeakPolarHBondContact CB-O 3.33Å; M885-F912 HydrophobicContact CB-CB 4.33Å; M885-F912 HydrophobicContact CG-CB 3.81Å; M885-F912 HydrophobicContact CG-CD2 4.39Å; M885-F912 HydrophobicContact CG-CG 4.4Å; M885-F912 HydrophobicContact SD-CB 3.86Å; M885-F912 HydrophobicContact SD-CD2 4.2Å; M885-I973 WeakPolarHBondContact O-CD1 3.46Å; M885-I973 WeakPolarHBondContact O-CG1 3.24Å
886	T	86.7	Confident	85.1	Confident	29 Å²	29	41.5 Å²	41.5	18%	0.178	21%	0.211	C	C	.	.	S	Bend	trans	-87	-15.9	175.3	49.9	0	0	0	0	112.8	G910 P974 S1019 T1022 K1023	T886-G910 PolarHBondContact N-O 3.31Å; T886-G910 VanDerWaalsContact OG1-CA 3.27Å; T886-G910 WeakPolarHBondContact OG1-CA 3.49Å; T886-G910 PolarHBondContact OG1-O 2.91Å; T886-P974 VanDerWaalsContact O-CD 3.28Å; T886-P974 WeakPolarHBondContact O-CD 3.38Å; T886-P974 WeakPolarHBondContact O-CG 3.47Å; T886-S1019 PolarHBondContact OG1-OG 3.06Å; T886-T1022 WeakPolarHBondContact CB-OG1 3.49Å; T886-K1023 HydrophobicContact CG2-CG 4.45Å
887	H	92.8	Very high	85.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	139.2	-179.5	-178.5	-155.2	0	0	0	110.9	G910 T911 F912 P974 T976 L1015 I1018	H887-G910 PolarHBondContact N-O 3.2Å; H887-T911 HydrophobicContact CB-CG2 4.41Å; H887-F912 PolarHBondContact O-N 2.93Å; H887-P974 HydrophobicContact CB-CG 4.37Å; H887-P974 PolarHBondContact CD2-O 3.43Å; H887-T976 WeakPolarHBondContact NE2-CB 3.48Å; H887-T976 PolarHBondContact NE2-OG1 3.5Å; H887-L1015 PolarHBondContact ND1-O 2.76Å; H887-I1018 WeakPolarHBondContact NE2-CG2 3.44Å
888	I	93.4	Very high	85.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.1	175.4	-58.8	-177.3	0	0	0	110.3	L882 M885 F890 F912 L965 L969 I973 P974 F975 T976	L882-I888 HydrophobicContact CD2-CD1 4.24Å; M885-I888 HydrophobicContact CB-CG1 4.41Å; I888-F890 HydrophobicContact CB-CE2 4.49Å; I888-F890 HydrophobicContact CG2-CD2 4.39Å; I888-F890 HydrophobicContact CG2-CE1 4.41Å; I888-F890 HydrophobicContact CG2-CE2 3.75Å; I888-F890 HydrophobicContact CG2-CZ 3.76Å; I888-F912 HydrophobicContact CG1-CB 4.39Å; I888-F912 HydrophobicContact CG2-CD1 4.43Å; I888-L965 HydrophobicContact CD1-CD1 4.47Å; I888-L969 HydrophobicContact CD1-CD1 3.4Å; I888-I973 HydrophobicContact CD1-CG2 4.35Å; I888-I973 HydrophobicContact CG1-CG2 4.09Å; I888-P974 PolarHBondContact N-O 3.13Å; I888-P974 VanDerWaalsContact N-O 3.13Å; I888-F975 HydrophobicContact CB-CD1 4Å; I888-F975 HydrophobicContact CB-CE1 4.3Å; I888-F975 HydrophobicContact CD1-CE1 4.07Å; I888-F975 CarbonylContact O-C 3.52Å; I888-F975 WeakPolarHBondContact O-CA 3.39Å; I888-T976 PolarHBondContact O-N 3.02Å
889	V	93.1	Very high	85.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.9	-176.9	-170.6	0	0	0	0	110.2	V891 T911 F912 I913 W914 T976 L978 L1015	V889-V891 HydrophobicContact CG1-CG2 4.03Å; V889-T911 HydrophobicContact CG2-CG2 3.9Å; V889-F912 PolarHBondContact N-O 2.86Å; V889-I913 HydrophobicContact CB-CG1 4.35Å; V889-I913 WeakPolarHBondContact O-CA 3.48Å; V889-W914 PolarHBondContact O-N 3.29Å; V889-T976 CarbonylContact C-O 3.6Å; V889-T976 WeakPolarHBondContact CA-O 3.44Å; V889-T976 HydrophobicContact CG1-CG2 4.46Å; V889-L978 HydrophobicContact CG1-CD1 4.34Å; V889-L978 HydrophobicContact CG1-CG 4.15Å; V889-L1015 HydrophobicContact CG1-CD2 4.24Å; V889-L1015 HydrophobicContact CG2-CD2 3.95Å
890	F	93.9	Very high	85.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.6	175.7	-56.6	-95.2	0	0	0	109.9	I888 W914 F916 I958 A962 L965 F975 T976 I977 L978	I888-F890 HydrophobicContact CB-CE2 4.49Å; I888-F890 HydrophobicContact CG2-CD2 4.39Å; I888-F890 HydrophobicContact CG2-CE1 4.41Å; I888-F890 HydrophobicContact CG2-CE2 3.75Å; I888-F890 HydrophobicContact CG2-CZ 3.76Å; F890-W914 WeakPolarHBondContact CA-O 3.49Å; F890-W914 HydrophobicContact CD1-CB 4.37Å; F890-W914 HydrophobicContact CE1-CE3 4.49Å; F890-F916 AromaticContact CD1-CE2 3.88Å; F890-F916 HydrophobicContact CD1-CE2 3.88Å; F890-F916 HydrophobicContact CD1-CZ 4.25Å; F890-I958 HydrophobicContact CB-CG1 4.49Å; F890-I958 HydrophobicContact CB-CG2 3.94Å; F890-I958 HydrophobicContact CD1-CG2 4.46Å; F890-I958 HydrophobicContact CG-CG2 4.32Å; F890-A962 HydrophobicContact CD1-CB 4.33Å; F890-A962 HydrophobicContact CD2-CB 4.4Å; F890-A962 HydrophobicContact CE1-CB 3.83Å; F890-A962 HydrophobicContact CE2-CB 3.91Å; F890-A962 HydrophobicContact CZ-CB 3.6Å; F890-L965 HydrophobicContact CE1-CD1 4.09Å; F890-L965 HydrophobicContact CZ-CD1 3.82Å; F890-F975 HydrophobicContact CE2-CB 4.03Å; F890-F975 HydrophobicContact CE2-CD1 4.29Å; F890-F975 HydrophobicContact CE2-CD2 4.01Å; F890-F975 AromaticContact CE2-CG 3.85Å; F890-F975 HydrophobicContact CE2-CG 3.85Å; F890-F975 HydrophobicContact CZ-CD2 4.4Å; F890-T976 PolarHBondContact N-O 2.95Å; F890-I977 HydrophobicContact CB-CG1 4.28Å; F890-I977 HydrophobicContact CD2-CG1 4.17Å; F890-L978 PolarHBondContact O-N 2.82Å
891	V	90.5	Very high	85.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.3	-175.8	-169.1	0	0	0	0	110.5	V889 F893 W896 F899 I913 W914 G915 F916 L978	V889-V891 HydrophobicContact CG1-CG2 4.03Å; V891-F893 HydrophobicContact CB-CE1 4.11Å; V891-F893 HydrophobicContact CB-CZ 4.48Å; V891-F893 HydrophobicContact CG1-CD1 3.82Å; V891-F893 HydrophobicContact CG1-CE1 3.62Å; V891-F893 HydrophobicContact CG1-CZ 4.45Å; V891-W896 HydrophobicContact CG1-CB 4.04Å; V891-F899 HydrophobicContact CG1-CB 4.38Å; V891-F899 HydrophobicContact CG1-CD1 4.37Å; V891-F899 HydrophobicContact CG1-CG 4.25Å; V891-F899 HydrophobicContact CG2-CD1 4.42Å; V891-F899 HydrophobicContact CG2-CE1 4.21Å; V891-F899 HydrophobicContact CG2-CZ 4.42Å; V891-I913 HydrophobicContact CG2-CG2 3.87Å; V891-W914 PolarHBondContact N-O 2.89Å; V891-G915 CarbonylContact O-C 3.35Å; V891-G915 WeakPolarHBondContact O-CA 3.5Å; V891-F916 PolarHBondContact O-N 3.32Å; V891-L978 HydrophobicContact CG1-CD1 4.19Å; V891-L978 HydrophobicContact CG2-CD1 3.75Å; V891-L978 HydrophobicContact CG2-CG 4.16Å
892	D	90.1	Very high	85	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.8	164.8	168.3	44.4	0	0	0	110.6	D894 N895 W896 A954 I958	D892-D894 WeakPolarHBondContact OD1-CB 3.5Å; D892-D894 PolarHBondContact OD1-N 2.77Å; D892-N895 VanDerWaalsContact OD2-CB 3.29Å; D892-N895 WeakPolarHBondContact OD2-CB 3.41Å; D892-N895 VanDerWaalsContact OD2-CG 3.29Å; D892-N895 PolarHBondContact OD2-N 2.74Å; D892-N895 PolarHBondContact OD2-ND2 3.28Å; D892-W896 WeakPolarHBondContact O-CA 3.5Å; D892-W896 WeakPolarHBondContact O-CB 3.49Å; D892-W896 PolarHBondContact O-N 2.93Å; D892-A954 HydrophobicContact CB-CB 4.24Å; D892-A954 WeakPolarHBondContact OD1-CB 3.35Å; D892-I958 HydrophobicContact CB-CD1 4.01Å
893	F	87.2	Confident	84.7	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.018	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.9	176.4	-66.7	-42.1	0	0	0	114.3	V891 S897 F899 F900 F916 W923 F941 L943	V891-F893 HydrophobicContact CB-CE1 4.11Å; V891-F893 HydrophobicContact CB-CZ 4.48Å; V891-F893 HydrophobicContact CG1-CD1 3.82Å; V891-F893 HydrophobicContact CG1-CE1 3.62Å; V891-F893 HydrophobicContact CG1-CZ 4.45Å; F893-S897 WeakPolarHBondContact O-CA 3.27Å; F893-S897 WeakPolarHBondContact O-CB 3.33Å; F893-S897 PolarHBondContact O-N 2.66Å; F893-F899 HydrophobicContact CE1-CB 4.22Å; F893-F899 HydrophobicContact CE1-CD1 4.19Å; F893-F900 AromaticContact CE1-CE2 3.93Å; F893-F900 HydrophobicContact CE1-CE2 3.93Å; F893-F900 HydrophobicContact CE2-CE2 4.4Å; F893-F900 HydrophobicContact CZ-CD2 4.43Å; F893-F900 AromaticContact CZ-CE2 3.48Å; F893-F900 HydrophobicContact CZ-CE2 3.48Å; F893-F900 VanDerWaalsContact CZ-CE2 3.48Å; F893-F900 AromaticContact CZ-CZ 3.96Å; F893-F900 HydrophobicContact CZ-CZ 3.96Å; F893-F916 WeakPolarHBondContact CB-O 3.45Å; F893-F916 PolarHBondContact N-O 3.43Å; F893-W923 HydrophobicContact CB-CB 4.15Å; F893-W923 HydrophobicContact CB-CD2 4.44Å; F893-W923 HydrophobicContact CB-CG 3.8Å; F893-W923 AromaticContact CD2-CD2 3.77Å; F893-W923 HydrophobicContact CD2-CD2 3.77Å; F893-W923 AromaticContact CD2-CE2 3.98Å; F893-W923 HydrophobicContact CD2-CE3 4.13Å; F893-W923 AromaticContact CD2-CG 4Å; F893-W923 HydrophobicContact CD2-CG 4Å; F893-W923 HydrophobicContact CD2-CZ2 4.48Å; F893-W923 HydrophobicContact CE1-CZ2 4.46Å; F893-W923 HydrophobicContact CE2-CD2 4.17Å; F893-W923 HydrophobicContact CE2-CE3 4.24Å; F893-W923 HydrophobicContact CE2-CH2 4.23Å; F893-W923 HydrophobicContact CE2-CZ2 4.18Å; F893-W923 HydrophobicContact CE2-CZ3 4.27Å; F893-W923 AromaticContact CG-CD1 3.88Å; F893-W923 HydrophobicContact CG-CD2 4.12Å; F893-W923 HydrophobicContact CG-CG 4.01Å; F893-W923 AromaticContact CG-NE1 3.91Å; F893-W923 HydrophobicContact CZ-CH2 4.46Å; F893-W923 HydrophobicContact CZ-CZ2 4.2Å; F893-F941 AromaticContact CE2-CE2 3.95Å; F893-F941 HydrophobicContact CE2-CE2 3.95Å; F893-F941 HydrophobicContact CE2-CZ 4.07Å; F893-F941 AromaticContact CZ-CE2 3.98Å; F893-F941 HydrophobicContact CZ-CE2 3.98Å; F893-F941 HydrophobicContact CZ-CZ 4.46Å; F893-L943 HydrophobicContact CD2-CD1 3.75Å; F893-L943 HydrophobicContact CE2-CD1 3.91Å
894	D	82.3	Confident	83.8	Confident	49 Å²	49	34.9 Å²	34.9	26%	0.262	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-44.3	169.9	-69.9	6	0	0	0	109.8	D892 Q917 G918 T921	D892-D894 WeakPolarHBondContact OD1-CB 3.5Å; D892-D894 PolarHBondContact OD1-N 2.77Å; D894-Q917 WeakPolarHBondContact OD1-CA 3.38Å; D894-G918 PolarHBondContact OD1-N 3.25Å; D894-G918 WeakPolarHBondContact OD2-CA 3.3Å; D894-G918 PolarHBondContact OD2-N 2.59Å; D894-T921 HydrophobicContact CB-CG2 4.13Å; D894-T921 VanDerWaalsContact OD1-CB 3.28Å; D894-T921 WeakPolarHBondContact OD1-CB 3.24Å; D894-T921 VanDerWaalsContact OD1-CG2 3.26Å; D894-T921 WeakPolarHBondContact OD1-CG2 3.24Å; D894-T921 PolarHBondContact OD1-OG1 2.86Å
895	N	81.6	Confident	83	Confident	101 Å²	101	31.1 Å²	31.1	54%	0.54	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-39.8	172.1	-64.8	-59	0	0	0	112.9	D892	D892-N895 VanDerWaalsContact OD2-CB 3.29Å; D892-N895 WeakPolarHBondContact OD2-CB 3.41Å; D892-N895 VanDerWaalsContact OD2-CG 3.29Å; D892-N895 PolarHBondContact OD2-N 2.74Å; D892-N895 PolarHBondContact OD2-ND2 3.28Å
896	W	80.4	Confident	82.1	Confident	25 Å²	25	37.8 Å²	37.8	10%	0.095	22%	0.218	C	C	.	.			trans	-107.3	35.5	-170.5	-51.1	115.8	0	0	0	115.4	V891 D892 N898 F899 L978 P1003 H1004	V891-W896 HydrophobicContact CG1-CB 4.04Å; D892-W896 WeakPolarHBondContact O-CA 3.5Å; D892-W896 WeakPolarHBondContact O-CB 3.49Å; D892-W896 PolarHBondContact O-N 2.93Å; W896-N898 PolarHBondContact O-N 3.46Å; W896-F899 HydrophobicContact CB-CB 4.38Å; W896-F899 VanDerWaalsContact O-CB 3.28Å; W896-F899 WeakPolarHBondContact O-CB 3.42Å; W896-F899 PolarHBondContact O-N 3.07Å; W896-L978 PolarHBondContact NE1-O 2.96Å; W896-P1003 HydrophobicContact CD2-CB 4.04Å; W896-P1003 HydrophobicContact CD2-CG 3.84Å; W896-P1003 HydrophobicContact CE3-CB 3.69Å; W896-P1003 HydrophobicContact CE3-CG 4.05Å; W896-P1003 HydrophobicContact CG-CG 4.4Å; W896-P1003 HydrophobicContact CH2-CB 3.78Å; W896-P1003 HydrophobicContact CH2-CG 4.1Å; W896-P1003 HydrophobicContact CZ2-CB 4.14Å; W896-P1003 HydrophobicContact CZ2-CG 3.93Å; W896-P1003 HydrophobicContact CZ3-CB 3.56Å; W896-P1003 HydrophobicContact CZ3-CG 4.18Å; W896-H1004 HydrophobicContact CH2-CB 4.29Å; W896-H1004 AromaticContact CH2-CD2 3.46Å; W896-H1004 VanDerWaalsContact CH2-CD2 3.46Å; W896-H1004 WeakPolarHBondContact CH2-CD2 3.33Å; W896-H1004 AromaticContact CH2-CE1 3.69Å; W896-H1004 AromaticContact CH2-CG 3.55Å; W896-H1004 AromaticContact CH2-ND1 3.71Å; W896-H1004 AromaticContact CH2-NE2 3.56Å; W896-H1004 AromaticContact CZ3-CE1 3.42Å; W896-H1004 VanDerWaalsContact CZ3-CE1 3.42Å; W896-H1004 WeakPolarHBondContact CZ3-CE1 3.34Å; W896-H1004 AromaticContact CZ3-CG 3.85Å; W896-H1004 AromaticContact CZ3-ND1 3.49Å; W896-H1004 WeakPolarHBondContact CZ3-ND1 3.4Å; W896-H1004 AromaticContact CZ3-NE2 3.75Å
897	S	78.4	Confident	81.7	Confident	72 Å²	72	37 Å²	37	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-28.7	-175.3	62	0	0	0	0	116.3	F893 W923	F893-S897 WeakPolarHBondContact O-CA 3.27Å; F893-S897 WeakPolarHBondContact O-CB 3.33Å; F893-S897 PolarHBondContact O-N 2.66Å; S897-W923 PolarHBondContact O-NE1 3.17Å
898	N	78.9	Confident	81.1	Confident	111 Å²	111	38.9 Å²	38.9	59%	0.594	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	14.7	178.8	-165.7	43.3	0	0	0	114.7	W896 F900 G901 H902	W896-N898 PolarHBondContact O-N 3.46Å; N898-F900 PolarHBondContact O-N 2.88Å; N898-G901 WeakPolarHBondContact O-CA 3.38Å; N898-G901 PolarHBondContact O-N 3.44Å; N898-H902 PolarHBondContact O-N 3.35Å
899	F	83.3	Confident	80	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-46.3	-51.8	-176.6	165.9	-111.3	0	0	0	114.3	V891 F893 W896 G901 H902 L903 I913 L978 M1011	V891-F899 HydrophobicContact CG1-CB 4.38Å; V891-F899 HydrophobicContact CG1-CD1 4.37Å; V891-F899 HydrophobicContact CG1-CG 4.25Å; V891-F899 HydrophobicContact CG2-CD1 4.42Å; V891-F899 HydrophobicContact CG2-CE1 4.21Å; V891-F899 HydrophobicContact CG2-CZ 4.42Å; F893-F899 HydrophobicContact CE1-CB 4.22Å; F893-F899 HydrophobicContact CE1-CD1 4.19Å; W896-F899 HydrophobicContact CB-CB 4.38Å; W896-F899 VanDerWaalsContact O-CB 3.28Å; W896-F899 WeakPolarHBondContact O-CB 3.42Å; W896-F899 PolarHBondContact O-N 3.07Å; F899-G901 PolarHBondContact O-N 2.79Å; F899-H902 WeakPolarHBondContact O-CB 3.34Å; F899-H902 PolarHBondContact O-N 3Å; F899-L903 HydrophobicContact CE1-CD1 4.07Å; F899-L903 HydrophobicContact CE2-CD1 3.82Å; F899-L903 HydrophobicContact CE2-CG 4.25Å; F899-L903 HydrophobicContact CZ-CD1 3.55Å; F899-L903 HydrophobicContact CZ-CG 4.45Å; F899-I913 HydrophobicContact CE1-CD1 3.75Å; F899-I913 HydrophobicContact CE1-CG2 4.12Å; F899-I913 HydrophobicContact CZ-CD1 3.98Å; F899-L978 HydrophobicContact CD2-CD1 3.58Å; F899-L978 HydrophobicContact CE2-CD1 3.26Å; F899-L978 HydrophobicContact CG-CD1 4.44Å; F899-L978 HydrophobicContact CZ-CD1 3.9Å; F899-M1011 HydrophobicContact CD2-SD 4.15Å; F899-M1011 HydrophobicContact CE2-SD 3.8Å
900	F	82.1	Confident	79.2	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-17.5	179.1	-57.6	-75.1	0	0	0	114.5	F893 N898 H902 I913 W923 P926 C929 I931 Y932 L935 F941	F893-F900 AromaticContact CE1-CE2 3.93Å; F893-F900 HydrophobicContact CE1-CE2 3.93Å; F893-F900 HydrophobicContact CE2-CE2 4.4Å; F893-F900 HydrophobicContact CZ-CD2 4.43Å; F893-F900 AromaticContact CZ-CE2 3.48Å; F893-F900 HydrophobicContact CZ-CE2 3.48Å; F893-F900 VanDerWaalsContact CZ-CE2 3.48Å; F893-F900 AromaticContact CZ-CZ 3.96Å; F893-F900 HydrophobicContact CZ-CZ 3.96Å; N898-F900 PolarHBondContact O-N 2.88Å; F900-H902 VanDerWaalsContact C-N 3.28Å; F900-I913 HydrophobicContact CE1-CD1 4.21Å; F900-I913 HydrophobicContact CZ-CG2 4.34Å; F900-W923 HydrophobicContact CD2-CH2 4.19Å; F900-W923 AromaticContact CD2-CZ2 3.82Å; F900-W923 HydrophobicContact CD2-CZ2 3.82Å; F900-W923 AromaticContact CE2-CH2 3.81Å; F900-W923 HydrophobicContact CE2-CH2 3.81Å; F900-W923 AromaticContact CE2-CZ2 3.75Å; F900-W923 HydrophobicContact CE2-CZ2 3.75Å; F900-P926 HydrophobicContact CB-CG 4.08Å; F900-P926 HydrophobicContact CD2-CG 4.23Å; F900-C929 PolarHBondContact O-SG 2.94Å; F900-I931 HydrophobicContact CB-CG2 4.2Å; F900-I931 HydrophobicContact CD1-CG2 4.38Å; F900-I931 WeakPolarHBondContact O-CG2 3.31Å; F900-Y932 AromaticContact CD2-CD2 3.96Å; F900-Y932 HydrophobicContact CD2-CD2 3.96Å; F900-Y932 HydrophobicContact CE1-CD2 4.45Å; F900-Y932 AromaticContact CE2-CD2 3.79Å; F900-Y932 HydrophobicContact CE2-CD2 3.79Å; F900-Y932 HydrophobicContact CE2-CE2 4.38Å; F900-Y932 HydrophobicContact CG-CD2 4.36Å; F900-Y932 HydrophobicContact CZ-CD2 4.05Å; F900-L935 HydrophobicContact CD1-CD1 4.33Å; F900-L935 HydrophobicContact CE1-CD1 3.79Å; F900-F941 HydrophobicContact CE2-CE2 4.07Å; F900-F941 AromaticContact CZ-CD2 3.7Å; F900-F941 HydrophobicContact CZ-CD2 3.7Å; F900-F941 AromaticContact CZ-CE2 3.66Å; F900-F941 HydrophobicContact CZ-CE2 3.66Å; F900-F941 HydrophobicContact CZ-CZ 4.45Å
901	G	76.7	Confident	78.9	Confident	49 Å²	49	46.4 Å²	46.4	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-79.8	-12.7	170.7	0	0	0	0	0	113	N898 F899	N898-G901 WeakPolarHBondContact O-CA 3.38Å; N898-G901 PolarHBondContact O-N 3.44Å; F899-G901 PolarHBondContact O-N 2.79Å
902	H	75.3	Confident	79	Confident	83 Å²	83	46.5 Å²	46.5	38%	0.384	26%	0.262	S	S	.	.	H	α-helix	trans	-96.3	-13.2	180	-158.8	-105.3	0	0	0	113.4	N898 F899 F900 L1006 G1008	N898-H902 PolarHBondContact O-N 3.35Å; F899-H902 WeakPolarHBondContact O-CB 3.34Å; F899-H902 PolarHBondContact O-N 3Å; F900-H902 VanDerWaalsContact C-N 3.28Å; H902-L1006 PolarHBondContact CE1-O 3.01Å; H902-L1006 VanDerWaalsContact CE1-O 3.28Å; H902-G1008 PolarHBondContact CE1-N 3.43Å; H902-G1008 WeakPolarHBondContact O-CA 3.43Å
903	L	77.8	Confident	79	Confident	13 Å²	13	46.3 Å²	46.3	7%	0.068	26%	0.261	C	S	.	.	S	Bend	trans	-93.2	135.2	-179.7	-69.5	176	0	0	0	112.1	F899 G905 L907 I931 M1011 C1012	F899-L903 HydrophobicContact CE1-CD1 4.07Å; F899-L903 HydrophobicContact CE2-CD1 3.82Å; F899-L903 HydrophobicContact CE2-CG 4.25Å; F899-L903 HydrophobicContact CZ-CD1 3.55Å; F899-L903 HydrophobicContact CZ-CG 4.45Å; L903-G905 VanDerWaalsContact C-N 3.31Å; L903-G905 PolarHBondContact O-N 2.74Å; L903-L907 HydrophobicContact CD1-CD1 4Å; L903-I931 HydrophobicContact CB-CD1 3.98Å; L903-I931 HydrophobicContact CB-CG2 4.38Å; L903-I931 HydrophobicContact CD1-CD1 3.88Å; L903-M1011 HydrophobicContact CD2-CB 4.31Å; L903-M1011 HydrophobicContact CD2-CG 4.07Å; L903-M1011 HydrophobicContact CD2-SD 3.85Å; L903-C1012 HydrophobicContact CD2-CB 4.12Å
904	P	65.8	Low	79.3	Confident	71 Å²	71	46.4 Å²	46.4	46%	0.461	26%	0.261	S	S	.	.			trans	-70.1	-20.7	-173.6	30.2	-39.7	0	0	0	114.6	G1008 D1009 C1012	P904-G1008 WeakPolarHBondContact CD-O 3.24Å; P904-D1009 WeakPolarHBondContact CB-OD1 3.47Å; P904-D1009 VanDerWaalsContact CG-OD1 3.28Å; P904-D1009 WeakPolarHBondContact CG-OD1 3.4Å; P904-C1012 HydrophobicContact CG-CB 3.72Å
905	G	65.2	Low	79.7	Confident	18 Å²	18	44.1 Å²	44.1	19%	0.186	25%	0.249	C	C	.	.	S	Bend	trans	137.9	-4.5	165.5	0	0	0	0	0	117.9	L903	L903-G905 VanDerWaalsContact C-N 3.31Å; L903-G905 PolarHBondContact O-N 2.74Å
906	H	69.1	Low	80.1	Confident	153 Å²	153	39.3 Å²	39.3	71%	0.708	22%	0.223	S	C	*	.			trans	-127.6	96	-170.2	-64.5	-74	0	0	0	112.3	C1012 N1016	H906-C1012 PolarHBondContact O-SG 2.91Å; H906-N1016 PolarHBondContact O-ND2 2.9Å
907	L	78.8	Confident	80.4	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.058	22%	0.222	C	C	.	.			trans	-104.4	148.7	166.3	-76.4	175.8	0	0	0	111.2	L903 T911 I913 I931 L935 L1015 N1016	L903-L907 HydrophobicContact CD1-CD1 4Å; L907-T911 HydrophobicContact CD1-CG2 4.48Å; L907-I913 HydrophobicContact CD1-CD1 3.74Å; L907-I931 HydrophobicContact CB-CD1 4.33Å; L907-I931 HydrophobicContact CD1-CD1 3.91Å; L907-I931 HydrophobicContact CG-CD1 3.86Å; L907-L935 HydrophobicContact CD1-CD1 4.48Å; L907-L1015 HydrophobicContact CD2-CB 3.67Å; L907-L1015 HydrophobicContact CD2-CD1 4.02Å; L907-N1016 VanDerWaalsContact CA-OD1 3.27Å; L907-N1016 WeakPolarHBondContact CA-OD1 3.31Å; L907-N1016 WeakPolarHBondContact CD2-OD1 3.33Å
908	N	78.6	Confident	80.6	Confident	40 Å²	40	35.4 Å²	35.4	21%	0.214	20%	0.199	C	C	.	.			trans	-66.3	144.3	-176.9	-79.5	-20.8	0	0	0	113.2	G910 T911 N1016 D1020	N908-G910 PolarHBondContact O-N 2.66Å; N908-T911 WeakPolarHBondContact O-CB 3.34Å; N908-T911 PolarHBondContact O-N 2.66Å; N908-T911 VanDerWaalsContact O-N 3.09Å; N908-T911 PolarHBondContact O-OG1 3.02Å; N908-N1016 PolarHBondContact N-OD1 3.29Å; N908-N1016 VanDerWaalsContact ND2-CA 3.32Å; N908-N1016 WeakPolarHBondContact ND2-CA 3.45Å; N908-N1016 VanDerWaalsContact ND2-CB 3.3Å; N908-N1016 WeakPolarHBondContact ND2-CB 3.4Å; N908-N1016 PolarHBondContact ND2-O 3.21Å; N908-D1020 PolarHBondContact ND2-OD1 3.37Å; N908-D1020 PolarHBondContact ND2-OD2 3.04Å
909	Q	70.8	Confident	80.4	Confident	143 Å²	143	30.8 Å²	30.8	67%	0.668	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	125.8	171.3	-65	178.3	13.5	0	0	108.7	Y934 K1023	Q909-Y934 PolarHBondContact NE2-OH 3.49Å; Q909-K1023 PolarHBondContact O-NZ 2.93Å
910	G	77	Confident	79.8	Confident	15 Å²	15	35.9 Å²	35.9	16%	0.155	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	-7	-170.6	0	0	0	0	0	115.2	M885 T886 H887 N908 F912	M885-G910 CarbonylContact C-O 3.59Å; M885-G910 WeakPolarHBondContact CB-O 3.33Å; T886-G910 PolarHBondContact N-O 3.31Å; T886-G910 VanDerWaalsContact OG1-CA 3.27Å; T886-G910 WeakPolarHBondContact OG1-CA 3.49Å; T886-G910 PolarHBondContact OG1-O 2.91Å; H887-G910 PolarHBondContact N-O 3.2Å; N908-G910 PolarHBondContact O-N 2.66Å; G910-F912 PolarHBondContact O-N 3.34Å
911	T	87.8	Confident	79.3	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.9	172.4	-54.2	0	0	0	0	111.6	H887 V889 L907 N908 C940	H887-T911 HydrophobicContact CB-CG2 4.41Å; V889-T911 HydrophobicContact CG2-CG2 3.9Å; L907-T911 HydrophobicContact CD1-CG2 4.48Å; N908-T911 WeakPolarHBondContact O-CB 3.34Å; N908-T911 PolarHBondContact O-N 2.66Å; N908-T911 VanDerWaalsContact O-N 3.09Å; N908-T911 PolarHBondContact O-OG1 3.02Å; T911-C940 WeakPolarHBondContact O-CB 3.48Å
912	F	91.5	Very high	79.2	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.7	176.9	-171.6	-87.8	0	0	0	112.1	P877 Y881 L882 M885 H887 I888 V889 G910 W914 F942	P877-F912 HydrophobicContact CB-CZ 4.05Å; P877-F912 HydrophobicContact CG-CE1 4.48Å; P877-F912 HydrophobicContact CG-CZ 3.87Å; Y881-F912 HydrophobicContact CE1-CD2 4.22Å; Y881-F912 HydrophobicContact CE1-CE2 4.01Å; L882-F912 HydrophobicContact CD2-CD1 3.8Å; L882-F912 HydrophobicContact CD2-CD2 3.86Å; L882-F912 HydrophobicContact CD2-CE1 3.83Å; L882-F912 HydrophobicContact CD2-CE2 3.92Å; L882-F912 HydrophobicContact CD2-CG 3.81Å; L882-F912 HydrophobicContact CD2-CZ 3.89Å; M885-F912 HydrophobicContact CB-CB 4.33Å; M885-F912 HydrophobicContact CG-CB 3.81Å; M885-F912 HydrophobicContact CG-CD2 4.39Å; M885-F912 HydrophobicContact CG-CG 4.4Å; M885-F912 HydrophobicContact SD-CB 3.86Å; M885-F912 HydrophobicContact SD-CD2 4.2Å; H887-F912 PolarHBondContact O-N 2.93Å; I888-F912 HydrophobicContact CG1-CB 4.39Å; I888-F912 HydrophobicContact CG2-CD1 4.43Å; V889-F912 PolarHBondContact N-O 2.86Å; G910-F912 PolarHBondContact O-N 3.34Å; F912-W914 HydrophobicContact CD1-CB 4.41Å; F912-W914 HydrophobicContact CE1-CB 4.04Å; F912-W914 HydrophobicContact CE1-CD2 4.5Å; F912-W914 HydrophobicContact CE1-CE3 4.22Å; F912-W914 HydrophobicContact CE1-CG 4.46Å; F912-F942 HydrophobicContact CE1-CB 4.14Å; F912-F942 HydrophobicContact CZ-CB 3.64Å
913	I	91	Very high	79.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.8	179.6	-52.7	-163	0	0	0	111.2	V889 V891 F899 F900 L907 L935 C940 F941 F942	V889-I913 HydrophobicContact CB-CG1 4.35Å; V889-I913 WeakPolarHBondContact O-CA 3.48Å; V891-I913 HydrophobicContact CG2-CG2 3.87Å; F899-I913 HydrophobicContact CE1-CD1 3.75Å; F899-I913 HydrophobicContact CE1-CG2 4.12Å; F899-I913 HydrophobicContact CZ-CD1 3.98Å; F900-I913 HydrophobicContact CE1-CD1 4.21Å; F900-I913 HydrophobicContact CZ-CG2 4.34Å; L907-I913 HydrophobicContact CD1-CD1 3.74Å; I913-L935 HydrophobicContact CD1-CD1 3.67Å; I913-L935 HydrophobicContact CG1-CD1 4.25Å; I913-C940 PolarHBondContact N-O 3.21Å; I913-F941 HydrophobicContact CB-CD2 4.27Å; I913-F941 HydrophobicContact CG2-CD2 4.3Å; I913-F941 WeakPolarHBondContact O-CA 3.26Å; I913-F941 WeakPolarHBondContact O-CD2 3.42Å; I913-F942 PolarHBondContact O-N 3.25Å
914	W	92.6	Very high	79.5	Confident	6 Å²	6	44 Å²	44	2%	0.023	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.8	176.2	-160.8	-33.4	0	0	0	109.9	L876 P877 L882 V889 F890 V891 F912 F916 F942 H944 H961 L965	L876-W914 HydrophobicContact CD2-CZ2 4.14Å; P877-W914 HydrophobicContact CG-CH2 4.35Å; P877-W914 HydrophobicContact CG-CZ3 4.34Å; L882-W914 HydrophobicContact CD1-CZ3 3.99Å; V889-W914 PolarHBondContact O-N 3.29Å; F890-W914 WeakPolarHBondContact CA-O 3.49Å; F890-W914 HydrophobicContact CD1-CB 4.37Å; F890-W914 HydrophobicContact CE1-CE3 4.49Å; V891-W914 PolarHBondContact N-O 2.89Å; F912-W914 HydrophobicContact CD1-CB 4.41Å; F912-W914 HydrophobicContact CE1-CB 4.04Å; F912-W914 HydrophobicContact CE1-CD2 4.5Å; F912-W914 HydrophobicContact CE1-CE3 4.22Å; F912-W914 HydrophobicContact CE1-CG 4.46Å; W914-F916 HydrophobicContact CB-CE2 4.1Å; W914-F916 AromaticContact CD1-CD2 3.93Å; W914-F916 AromaticContact CD1-CE2 3.19Å; W914-F916 AromaticContact CD1-CZ 3.35Å; W914-F916 HydrophobicContact CD2-CE2 4.37Å; W914-F916 HydrophobicContact CD2-CZ 4.15Å; W914-F916 AromaticContact CE2-CZ 3.83Å; W914-F916 AromaticContact CG-CE2 3.64Å; W914-F916 HydrophobicContact CG-CE2 3.64Å; W914-F916 AromaticContact CG-CZ 3.87Å; W914-F916 HydrophobicContact CG-CZ 3.87Å; W914-F916 AromaticContact NE1-CE1 3.84Å; W914-F916 AromaticContact NE1-CE2 3.69Å; W914-F916 AromaticContact NE1-CZ 3.3Å; W914-F916 VanDerWaalsContact NE1-CZ 3.3Å; W914-F942 AromaticContact CD1-CD1 3.92Å; W914-F942 HydrophobicContact CD2-CD1 4.37Å; W914-F942 AromaticContact CE2-CD1 3.83Å; W914-F942 HydrophobicContact CG-CD1 4.44Å; W914-F942 HydrophobicContact CZ2-CD1 4.28Å; W914-F942 HydrophobicContact CZ2-CE1 4.17Å; W914-F942 AromaticContact NE1-CD1 3.53Å; W914-F942 AromaticContact NE1-CE1 3.83Å; W914-H944 AromaticContact NE1-CD2 3.64Å; W914-H961 AromaticContact CH2-ND1 3.69Å; W914-H961 AromaticContact CZ2-ND1 3.45Å; W914-H961 WeakPolarHBondContact CZ2-ND1 3.46Å; W914-L965 HydrophobicContact CE3-CD1 3.99Å; W914-L965 HydrophobicContact CZ3-CD1 3.71Å; W914-L965 HydrophobicContact CZ3-CD2 4.48Å; W914-L965 HydrophobicContact CZ3-CG 4.43Å
915	G	90.3	Very high	80.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.7	177.1	0	0	0	0	0	113.4	V891 F942 H944	V891-G915 CarbonylContact O-C 3.35Å; V891-G915 WeakPolarHBondContact O-CA 3.5Å; G915-F942 PolarHBondContact N-O 2.81Å; G915-H944 VanDerWaalsContact O-CB 3.29Å; G915-H944 WeakPolarHBondContact O-CB 3.47Å; G915-H944 PolarHBondContact O-N 3.28Å
916	F	90.6	Very high	80.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.6	177.5	-65.2	-101.9	0	0	0	110.3	F890 V891 F893 W914 H944 A954 A957 I958 H961	F890-F916 AromaticContact CD1-CE2 3.88Å; F890-F916 HydrophobicContact CD1-CE2 3.88Å; F890-F916 HydrophobicContact CD1-CZ 4.25Å; V891-F916 PolarHBondContact O-N 3.32Å; F893-F916 WeakPolarHBondContact CB-O 3.45Å; F893-F916 PolarHBondContact N-O 3.43Å; W914-F916 HydrophobicContact CB-CE2 4.1Å; W914-F916 AromaticContact CD1-CD2 3.93Å; W914-F916 AromaticContact CD1-CE2 3.19Å; W914-F916 AromaticContact CD1-CZ 3.35Å; W914-F916 HydrophobicContact CD2-CE2 4.37Å; W914-F916 HydrophobicContact CD2-CZ 4.15Å; W914-F916 AromaticContact CE2-CZ 3.83Å; W914-F916 AromaticContact CG-CE2 3.64Å; W914-F916 HydrophobicContact CG-CE2 3.64Å; W914-F916 AromaticContact CG-CZ 3.87Å; W914-F916 HydrophobicContact CG-CZ 3.87Å; W914-F916 AromaticContact NE1-CE1 3.84Å; W914-F916 AromaticContact NE1-CE2 3.69Å; W914-F916 AromaticContact NE1-CZ 3.3Å; W914-F916 VanDerWaalsContact NE1-CZ 3.3Å; F916-H944 HydrophobicContact CD1-CB 3.6Å; F916-H944 AromaticContact CD1-CD2 3.99Å; F916-H944 AromaticContact CD1-CG 3.62Å; F916-H944 HydrophobicContact CE1-CB 3.85Å; F916-H944 AromaticContact CE1-CD2 3.47Å; F916-H944 VanDerWaalsContact CE1-CD2 3.47Å; F916-H944 WeakPolarHBondContact CE1-CD2 3.38Å; F916-H944 AromaticContact CE1-CG 3.61Å; F916-H944 HydrophobicContact CG-CB 4.09Å; F916-H944 HydrophobicContact CZ-CB 4.5Å; F916-A954 HydrophobicContact CB-CB 4.07Å; F916-A957 HydrophobicContact CD1-CB 3.63Å; F916-A957 HydrophobicContact CE1-CB 3.87Å; F916-I958 HydrophobicContact CB-CD1 4.43Å; F916-I958 HydrophobicContact CB-CG1 4.27Å; F916-I958 HydrophobicContact CD1-CG1 4.16Å; F916-I958 HydrophobicContact CD2-CD1 4.09Å; F916-I958 HydrophobicContact CD2-CG1 3.44Å; F916-I958 VanDerWaalsContact CD2-CG1 3.44Å; F916-I958 HydrophobicContact CE1-CG1 4.4Å; F916-I958 HydrophobicContact CE2-CG1 3.76Å; F916-I958 HydrophobicContact CG-CD1 4.33Å; F916-I958 HydrophobicContact CG-CG1 3.69Å; F916-I958 HydrophobicContact CZ-CG1 4.22Å; F916-H961 HydrophobicContact CE1-CB 4.43Å; F916-H961 HydrophobicContact CZ-CB 4.17Å
917	Q	86.9	Confident	80.6	Confident	13 Å²	13	45.1 Å²	45.1	6%	0.061	24%	0.24	C	C	.	.			trans	-148.9	141	176.4	58.3	174.3	-22.9	0	0	111.1	D894 L943 R946 C947	D894-Q917 WeakPolarHBondContact OD1-CA 3.38Å; Q917-L943 HydrophobicContact CG-CD1 4.37Å; Q917-R946 HydrophobicContact CG-CG 4.32Å; Q917-C947 WeakPolarHBondContact O-CB 3.42Å; Q917-C947 PolarHBondContact O-N 3.26Å; Q917-C947 PolarHBondContact O-SG 2.9Å; Q917-C947 VanDerWaalsContact O-SG 3.41Å
918	G	82.9	Confident	80.1	Confident	2 Å²	2	52 Å²	52	2%	0.021	28%	0.277	C	S	.	.			trans	-70.1	168.4	178.2	0	0	0	0	0	114.9	D894 N920 T921	D894-G918 PolarHBondContact OD1-N 3.25Å; D894-G918 WeakPolarHBondContact OD2-CA 3.3Å; D894-G918 PolarHBondContact OD2-N 2.59Å; G918-N920 PolarHBondContact O-N 3.37Å; G918-T921 PolarHBondContact N-OG1 3.21Å; G918-T921 PolarHBondContact O-N 2.81Å; G918-T921 PolarHBondContact O-OG1 3.07Å; G918-T921 VanDerWaalsContact O-OG1 3.07Å
919	G	73.8	Confident	80	Confident	14 Å²	14	51 Å²	51	14%	0.144	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.9	-177.2	0	0	0	0	0	115.3	C947 S948 K949	G919-C947 WeakPolarHBondContact CA-O 3.46Å; G919-C947 PolarHBondContact N-O 2.84Å; G919-S948 PolarHBondContact N-O 3.3Å; G919-K949 VanDerWaalsContact O-CE 3.31Å; G919-K949 WeakPolarHBondContact O-CE 3.42Å
920	N	71.9	Confident	80.3	Confident	116 Å²	116	52.9 Å²	52.9	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-14.7	179.2	-58.3	-42.3	0	0	0	112.6	G918 K949	G918-N920 PolarHBondContact O-N 3.37Å; N920-K949 PolarHBondContact ND2-O 3.06Å; N920-K949 WeakPolarHBondContact OD1-CB 3.3Å; N920-K949 WeakPolarHBondContact OD1-CD 3.16Å; N920-K949 WeakPolarHBondContact OD1-CG 3.19Å
921	T	72	Confident	80.5	Confident	48 Å²	48	52.2 Å²	52.2	29%	0.294	27%	0.272	S	S	.	.			trans	-90.1	165.6	173.7	51.4	0	0	0	0	110	D894 G918	D894-T921 HydrophobicContact CB-CG2 4.13Å; D894-T921 VanDerWaalsContact OD1-CB 3.28Å; D894-T921 WeakPolarHBondContact OD1-CB 3.24Å; D894-T921 VanDerWaalsContact OD1-CG2 3.26Å; D894-T921 WeakPolarHBondContact OD1-CG2 3.24Å; D894-T921 PolarHBondContact OD1-OG1 2.86Å; G918-T921 PolarHBondContact N-OG1 3.21Å; G918-T921 PolarHBondContact O-N 2.81Å; G918-T921 PolarHBondContact O-OG1 3.07Å; G918-T921 VanDerWaalsContact O-OG1 3.07Å
922	N	73.8	Confident	80.3	Confident	94 Å²	94	53.6 Å²	53.6	50%	0.503	28%	0.277	S	S	.	.			trans	-147.7	75.1	176.8	-169.8	30.8	0	0	0	107.6	R946	N922-R946 PolarHBondContact OD1-NH2 3.4Å
923	W	82.6	Confident	79.8	Confident	27 Å²	27	57.2 Å²	57.2	10%	0.102	30%	0.296	C	S	.	.			trans	-61.9	138.1	179	-175.5	82.1	0	0	0	109.5	F893 S897 F900 P925 Y932 F941 L943	F893-W923 HydrophobicContact CB-CB 4.15Å; F893-W923 HydrophobicContact CB-CD2 4.44Å; F893-W923 HydrophobicContact CB-CG 3.8Å; F893-W923 AromaticContact CD2-CD2 3.77Å; F893-W923 HydrophobicContact CD2-CD2 3.77Å; F893-W923 AromaticContact CD2-CE2 3.98Å; F893-W923 HydrophobicContact CD2-CE3 4.13Å; F893-W923 AromaticContact CD2-CG 4Å; F893-W923 HydrophobicContact CD2-CG 4Å; F893-W923 HydrophobicContact CD2-CZ2 4.48Å; F893-W923 HydrophobicContact CE1-CZ2 4.46Å; F893-W923 HydrophobicContact CE2-CD2 4.17Å; F893-W923 HydrophobicContact CE2-CE3 4.24Å; F893-W923 HydrophobicContact CE2-CH2 4.23Å; F893-W923 HydrophobicContact CE2-CZ2 4.18Å; F893-W923 HydrophobicContact CE2-CZ3 4.27Å; F893-W923 AromaticContact CG-CD1 3.88Å; F893-W923 HydrophobicContact CG-CD2 4.12Å; F893-W923 HydrophobicContact CG-CG 4.01Å; F893-W923 AromaticContact CG-NE1 3.91Å; F893-W923 HydrophobicContact CZ-CH2 4.46Å; F893-W923 HydrophobicContact CZ-CZ2 4.2Å; S897-W923 PolarHBondContact O-NE1 3.17Å; F900-W923 HydrophobicContact CD2-CH2 4.19Å; F900-W923 AromaticContact CD2-CZ2 3.82Å; F900-W923 HydrophobicContact CD2-CZ2 3.82Å; F900-W923 AromaticContact CE2-CH2 3.81Å; F900-W923 HydrophobicContact CE2-CH2 3.81Å; F900-W923 AromaticContact CE2-CZ2 3.75Å; F900-W923 HydrophobicContact CE2-CZ2 3.75Å; W923-P925 HydrophobicContact CZ3-CB 4.48Å; W923-Y932 HydrophobicContact CH2-CD2 4.15Å; W923-Y932 AromaticContact CH2-CE2 3.75Å; W923-Y932 HydrophobicContact CH2-CE2 3.75Å; W923-Y932 HydrophobicContact CZ3-CE2 4.32Å; W923-F941 HydrophobicContact CH2-CZ 4.19Å; W923-F941 HydrophobicContact CZ3-CZ 4.06Å; W923-L943 HydrophobicContact CE3-CD1 4.15Å; W923-L943 HydrophobicContact CE3-CD2 3.89Å; W923-L943 HydrophobicContact CZ3-CD2 4.23Å
924	K	76.9	Confident	79.3	Confident	151 Å²	151	60.9 Å²	60.9	66%	0.657	31%	0.311	S	S	*	.			trans	-120.4	140.9	-178.9	-69.2	-170.9	177.4	-172.7	0	109.7
925	P	77.4	Confident	78.8	Confident	67 Å²	67	60.7 Å²	60.7	44%	0.435	31%	0.31	S	S	.	.			trans	-59.7	132.7	178.3	25.4	-34.9	0	0	0	110.8	W923 L927 Y932	W923-P925 HydrophobicContact CZ3-CB 4.48Å; P925-L927 PolarHBondContact O-N 3.01Å; P925-Y932 HydrophobicContact CB-CD1 4.41Å; P925-Y932 HydrophobicContact CB-CE1 3.6Å; P925-Y932 HydrophobicContact CB-CE2 4.3Å
926	P	78.9	Confident	78.4	Confident	33 Å²	33	64.8 Å²	64.8	21%	0.214	33%	0.332	C	S	.	.			trans	-73.4	111.2	-172.6	26.7	-33.4	0	0	0	111.5	F900 N928 C929 Y932	F900-P926 HydrophobicContact CB-CG 4.08Å; F900-P926 HydrophobicContact CD2-CG 4.23Å; P926-N928 PolarHBondContact O-N 2.86Å; P926-C929 HydrophobicContact CB-CB 3.85Å; P926-C929 HydrophobicContact CG-CB 3.7Å; P926-C929 VanDerWaalsContact O-CB 3.3Å; P926-C929 WeakPolarHBondContact O-CB 3.09Å; P926-C929 PolarHBondContact O-N 3.36Å; P926-Y932 HydrophobicContact CG-CD2 4.35Å; P926-Y932 HydrophobicContact CG-CG 4Å
927	L	66.2	Low	77.9	Confident	164 Å²	164	74.7 Å²	74.7	86%	0.859	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	134.5	178.6	-61.4	175.3	0	0	0	111	P925 C929	P925-L927 PolarHBondContact O-N 3.01Å; L927-C929 PolarHBondContact O-N 3.41Å; L927-C929 VanDerWaalsContact O-N 3.16Å
928	N	67.9	Low	77.5	Confident	157 Å²	157	77 Å²	77	84%	0.84	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	10.4	-178.5	-58.6	-26.4	0	0	0	116.7	P926 K930	P926-N928 PolarHBondContact O-N 2.86Å; N928-K930 PolarHBondContact O-N 3.17Å
929	C	78.1	Confident	77.3	Confident	17 Å²	17	78.5 Å²	78.5	12%	0.115	40%	0.398	C	S	.	.			trans	-71	117.1	173.9	176.8	0	0	0	0	111.6	F900 P926 L927 I931 Y932 N933	F900-C929 PolarHBondContact O-SG 2.94Å; P926-C929 HydrophobicContact CB-CB 3.85Å; P926-C929 HydrophobicContact CG-CB 3.7Å; P926-C929 VanDerWaalsContact O-CB 3.3Å; P926-C929 WeakPolarHBondContact O-CB 3.09Å; P926-C929 PolarHBondContact O-N 3.36Å; L927-C929 PolarHBondContact O-N 3.41Å; L927-C929 VanDerWaalsContact O-N 3.16Å; C929-I931 PolarHBondContact O-N 3.5Å; C929-I931 VanDerWaalsContact SG-CG2 3.55Å; C929-Y932 PolarHBondContact SG-N 3.08Å; C929-N933 WeakPolarHBondContact O-CB 3.23Å; C929-N933 VanDerWaalsContact O-CG 3.25Å; C929-N933 PolarHBondContact O-N 2.8Å; C929-N933 PolarHBondContact O-ND2 3.12Å
930	K	76.8	Confident	77.9	Confident	183 Å²	183	78.2 Å²	78.2	80%	0.796	39%	0.393	S	S	*	.	H	α-helix	trans	-61.3	-45.1	-178.3	-68.5	-179	-178.2	174.5	0	112.9	N928 N933 Y934	N928-K930 PolarHBondContact O-N 3.17Å; K930-N933 PolarHBondContact O-N 2.86Å; K930-Y934 WeakPolarHBondContact O-CB 3.31Å; K930-Y934 PolarHBondContact O-N 3.11Å
931	I	81	Confident	78.7	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-74.2	-39.6	-173.7	-171.7	165.4	0	0	0	112.5	F900 L903 L907 C929 N933 Y934 L935	F900-I931 HydrophobicContact CB-CG2 4.2Å; F900-I931 HydrophobicContact CD1-CG2 4.38Å; F900-I931 WeakPolarHBondContact O-CG2 3.31Å; L903-I931 HydrophobicContact CB-CD1 3.98Å; L903-I931 HydrophobicContact CB-CG2 4.38Å; L903-I931 HydrophobicContact CD1-CD1 3.88Å; L907-I931 HydrophobicContact CB-CD1 4.33Å; L907-I931 HydrophobicContact CD1-CD1 3.91Å; L907-I931 HydrophobicContact CG-CD1 3.86Å; C929-I931 PolarHBondContact O-N 3.5Å; C929-I931 VanDerWaalsContact SG-CG2 3.55Å; I931-N933 PolarHBondContact O-N 2.99Å; I931-Y934 PolarHBondContact O-N 3.27Å; I931-Y934 VanDerWaalsContact O-N 3.16Å; I931-L935 HydrophobicContact CG1-CD1 4.05Å; I931-L935 HydrophobicContact CG1-CG 4.37Å; I931-L935 WeakPolarHBondContact O-CG 3.48Å; I931-L935 PolarHBondContact O-N 3.49Å
932	Y	83.4	Confident	79.5	Confident	29 Å²	29	72.8 Å²	72.8	11%	0.114	36%	0.36	C	S	.	.	H	α-helix	trans	-57.8	-49.5	170.8	177.8	-94.9	0	0	0	111.3	F900 W923 P925 P926 C929 Y934 L935 N936 F941	F900-Y932 AromaticContact CD2-CD2 3.96Å; F900-Y932 HydrophobicContact CD2-CD2 3.96Å; F900-Y932 HydrophobicContact CE1-CD2 4.45Å; F900-Y932 AromaticContact CE2-CD2 3.79Å; F900-Y932 HydrophobicContact CE2-CD2 3.79Å; F900-Y932 HydrophobicContact CE2-CE2 4.38Å; F900-Y932 HydrophobicContact CG-CD2 4.36Å; F900-Y932 HydrophobicContact CZ-CD2 4.05Å; W923-Y932 HydrophobicContact CH2-CD2 4.15Å; W923-Y932 AromaticContact CH2-CE2 3.75Å; W923-Y932 HydrophobicContact CH2-CE2 3.75Å; W923-Y932 HydrophobicContact CZ3-CE2 4.32Å; P925-Y932 HydrophobicContact CB-CD1 4.41Å; P925-Y932 HydrophobicContact CB-CE1 3.6Å; P925-Y932 HydrophobicContact CB-CE2 4.3Å; P926-Y932 HydrophobicContact CG-CD2 4.35Å; P926-Y932 HydrophobicContact CG-CG 4Å; C929-Y932 PolarHBondContact SG-N 3.08Å; Y932-Y934 PolarHBondContact O-N 3.35Å; Y932-L935 PolarHBondContact O-N 2.88Å; Y932-N936 HydrophobicContact CE1-CB 4.42Å; Y932-N936 VanDerWaalsContact O-CB 3.25Å; Y932-N936 WeakPolarHBondContact O-CB 3.25Å; Y932-N936 PolarHBondContact O-N 3.44Å; Y932-N936 PolarHBondContact OH-OD1 3.42Å; Y932-F941 AromaticContact CE2-CD1 3.78Å; Y932-F941 HydrophobicContact CE2-CD1 3.78Å; Y932-F941 AromaticContact CE2-CE1 3.57Å; Y932-F941 HydrophobicContact CE2-CE1 3.57Å; Y932-F941 HydrophobicContact CE2-CG 4.44Å; Y932-F941 HydrophobicContact CE2-CZ 4.07Å
933	N	81.8	Confident	80.1	Confident	78 Å²	78	70.6 Å²	70.6	42%	0.417	35%	0.348	S	S	.	.	H	α-helix	trans	-66.9	-16.4	178.1	-71.4	-32.9	0	0	0	114.1	C929 K930 I931 R937	C929-N933 WeakPolarHBondContact O-CB 3.23Å; C929-N933 VanDerWaalsContact O-CG 3.25Å; C929-N933 PolarHBondContact O-N 2.8Å; C929-N933 PolarHBondContact O-ND2 3.12Å; K930-N933 PolarHBondContact O-N 2.86Å; I931-N933 PolarHBondContact O-N 2.99Å; N933-R937 WeakPolarHBondContact O-CB 3.09Å
934	Y	80.3	Confident	80.2	Confident	78 Å²	78	70.4 Å²	70.4	31%	0.306	35%	0.348	S	S	.	.	H	α-helix	trans	-84.4	-54.9	172.2	175.9	-115.7	0	0	0	110.9	Q909 K930 I931 Y932 N936 R937 I938	Q909-Y934 PolarHBondContact NE2-OH 3.49Å; K930-Y934 WeakPolarHBondContact O-CB 3.31Å; K930-Y934 PolarHBondContact O-N 3.11Å; I931-Y934 PolarHBondContact O-N 3.27Å; I931-Y934 VanDerWaalsContact O-N 3.16Å; Y932-Y934 PolarHBondContact O-N 3.35Å; Y934-N936 VanDerWaalsContact C-N 3.34Å; Y934-N936 PolarHBondContact O-N 3.1Å; Y934-R937 WeakPolarHBondContact O-CA 3.46Å; Y934-R937 WeakPolarHBondContact O-CB 3.3Å; Y934-R937 PolarHBondContact O-N 2.86Å; Y934-I938 HydrophobicContact CD1-CD1 4.4Å; Y934-I938 HydrophobicContact CD2-CG2 4.46Å; Y934-I938 HydrophobicContact CE1-CD1 3.87Å; Y934-I938 HydrophobicContact CE2-CG2 4.01Å; Y934-I938 PolarHBondContact O-N 3.37Å
935	L	81.9	Confident	80.5	Confident	2 Å²	2	66 Å²	66	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-57.1	-45.5	179.4	-68.4	168	0	0	0	111.9	F900 L907 I913 I931 Y932 R937 I938 G939 C940 F941	F900-L935 HydrophobicContact CD1-CD1 4.33Å; F900-L935 HydrophobicContact CE1-CD1 3.79Å; L907-L935 HydrophobicContact CD1-CD1 4.48Å; I913-L935 HydrophobicContact CD1-CD1 3.67Å; I913-L935 HydrophobicContact CG1-CD1 4.25Å; I931-L935 HydrophobicContact CG1-CD1 4.05Å; I931-L935 HydrophobicContact CG1-CG 4.37Å; I931-L935 WeakPolarHBondContact O-CG 3.48Å; I931-L935 PolarHBondContact O-N 3.49Å; Y932-L935 PolarHBondContact O-N 2.88Å; L935-R937 PolarHBondContact O-N 3.45Å; L935-I938 HydrophobicContact CD2-CD1 4.48Å; L935-I938 WeakPolarHBondContact O-CG1 3.37Å; L935-I938 PolarHBondContact O-N 2.79Å; L935-G939 PolarHBondContact O-N 3.11Å; L935-G939 VanDerWaalsContact O-N 3.13Å; L935-C940 HydrophobicContact CD2-CB 4.03Å; L935-C940 PolarHBondContact O-N 2.87Å; L935-C940 VanDerWaalsContact O-N 3.14Å; L935-F941 HydrophobicContact CB-CB 4.1Å
936	N	81.9	Confident	80.6	Confident	86 Å²	86	69.4 Å²	69.4	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-68.3	-14.7	177.3	-161.1	100.7	0	0	0	113.3	Y932 Y934	Y932-N936 HydrophobicContact CE1-CB 4.42Å; Y932-N936 VanDerWaalsContact O-CB 3.25Å; Y932-N936 WeakPolarHBondContact O-CB 3.25Å; Y932-N936 PolarHBondContact O-N 3.44Å; Y932-N936 PolarHBondContact OH-OD1 3.42Å; Y934-N936 VanDerWaalsContact C-N 3.34Å; Y934-N936 PolarHBondContact O-N 3.1Å
937	R	79.4	Confident	80.7	Confident	207 Å²	207	68.6 Å²	68.6	78%	0.781	33%	0.334	S	S	*	.	H	α-helix	trans	-87.1	-28.3	173.9	-172.7	-172.7	-58	-164.6	-2.2	112.3	N933 Y934 L935	N933-R937 WeakPolarHBondContact O-CB 3.09Å; Y934-R937 WeakPolarHBondContact O-CA 3.46Å; Y934-R937 WeakPolarHBondContact O-CB 3.3Å; Y934-R937 PolarHBondContact O-N 2.86Å; L935-R937 PolarHBondContact O-N 3.45Å
938	I	78.5	Confident	81.2	Confident	61 Å²	61	63.9 Å²	63.9	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-98.8	0.2	-178.5	65.1	172.7	0	0	0	113.6	Y881 Y934 L935 C940	Y881-I938 PolarHBondContact OH-O 2.88Å; Y881-I938 VanDerWaalsContact OH-O 3.08Å; Y934-I938 HydrophobicContact CD1-CD1 4.4Å; Y934-I938 HydrophobicContact CD2-CG2 4.46Å; Y934-I938 HydrophobicContact CE1-CD1 3.87Å; Y934-I938 HydrophobicContact CE2-CG2 4.01Å; Y934-I938 PolarHBondContact O-N 3.37Å; L935-I938 HydrophobicContact CD2-CD1 4.48Å; L935-I938 WeakPolarHBondContact O-CG1 3.37Å; L935-I938 PolarHBondContact O-N 2.79Å; I938-C940 VanDerWaalsContact C-N 3.3Å; I938-C940 HydrophobicContact CD1-CB 4.01Å; I938-C940 HydrophobicContact CG1-CB 3.9Å; I938-C940 PolarHBondContact O-N 3.18Å
939	G	79.4	Confident	81.7	Confident	35 Å²	35	63.8 Å²	63.8	36%	0.361	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-4.4	-179.7	0	0	0	0	0	114.9	Y881 L935 F941	Y881-G939 WeakPolarHBondContact OH-CA 3.1Å; Y881-G939 PolarHBondContact OH-O 2.85Å; L935-G939 PolarHBondContact O-N 3.11Å; L935-G939 VanDerWaalsContact O-N 3.13Å; G939-F941 PolarHBondContact O-N 3.04Å
940	C	84.9	Confident	81.5	Confident	7 Å²	7	70.4 Å²	70.4	5%	0.047	33%	0.329	C	S	.	.			trans	-80.6	26.1	-175	-59.6	0	0	0	0	114.5	T911 I913 L935 I938	T911-C940 WeakPolarHBondContact O-CB 3.48Å; I913-C940 PolarHBondContact N-O 3.21Å; L935-C940 HydrophobicContact CD2-CB 4.03Å; L935-C940 PolarHBondContact O-N 2.87Å; L935-C940 VanDerWaalsContact O-N 3.14Å; I938-C940 VanDerWaalsContact C-N 3.3Å; I938-C940 HydrophobicContact CD1-CB 4.01Å; I938-C940 HydrophobicContact CG1-CB 3.9Å; I938-C940 PolarHBondContact O-N 3.18Å
941	F	88.8	Confident	81.2	Confident	22 Å²	22	69 Å²	69	10%	0.096	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.3	172.4	171.8	-105.9	0	0	0	111	F893 F900 I913 W923 Y932 L935 G939 L943	F893-F941 AromaticContact CE2-CE2 3.95Å; F893-F941 HydrophobicContact CE2-CE2 3.95Å; F893-F941 HydrophobicContact CE2-CZ 4.07Å; F893-F941 AromaticContact CZ-CE2 3.98Å; F893-F941 HydrophobicContact CZ-CE2 3.98Å; F893-F941 HydrophobicContact CZ-CZ 4.46Å; F900-F941 HydrophobicContact CE2-CE2 4.07Å; F900-F941 AromaticContact CZ-CD2 3.7Å; F900-F941 HydrophobicContact CZ-CD2 3.7Å; F900-F941 AromaticContact CZ-CE2 3.66Å; F900-F941 HydrophobicContact CZ-CE2 3.66Å; F900-F941 HydrophobicContact CZ-CZ 4.45Å; I913-F941 HydrophobicContact CB-CD2 4.27Å; I913-F941 HydrophobicContact CG2-CD2 4.3Å; I913-F941 WeakPolarHBondContact O-CA 3.26Å; I913-F941 WeakPolarHBondContact O-CD2 3.42Å; W923-F941 HydrophobicContact CH2-CZ 4.19Å; W923-F941 HydrophobicContact CZ3-CZ 4.06Å; Y932-F941 AromaticContact CE2-CD1 3.78Å; Y932-F941 HydrophobicContact CE2-CD1 3.78Å; Y932-F941 AromaticContact CE2-CE1 3.57Å; Y932-F941 HydrophobicContact CE2-CE1 3.57Å; Y932-F941 HydrophobicContact CE2-CG 4.44Å; Y932-F941 HydrophobicContact CE2-CZ 4.07Å; L935-F941 HydrophobicContact CB-CB 4.1Å; G939-F941 PolarHBondContact O-N 3.04Å; F941-L943 HydrophobicContact CE1-CB 4.14Å; F941-L943 HydrophobicContact CZ-CB 3.9Å
942	F	89.4	Confident	81	Confident	28 Å²	28	72 Å²	72	12%	0.123	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.2	171.1	-179.2	-98.2	0	0	0	111.3	V874 E875 L876 P877 F912 I913 W914 G915	V874-F942 HydrophobicContact CG1-CE2 3.55Å; V874-F942 HydrophobicContact CG1-CZ 3.71Å; E875-F942 VanDerWaalsContact O-CE2 3.31Å; E875-F942 WeakPolarHBondContact O-CE2 3.41Å; L876-F942 HydrophobicContact CD2-CE1 4.19Å; L876-F942 HydrophobicContact CD2-CZ 4.21Å; P877-F942 HydrophobicContact CG-CB 3.81Å; P877-F942 HydrophobicContact CG-CD1 3.69Å; P877-F942 HydrophobicContact CG-CD2 3.68Å; P877-F942 HydrophobicContact CG-CE1 4.11Å; P877-F942 HydrophobicContact CG-CE2 4.1Å; P877-F942 HydrophobicContact CG-CG 3.45Å; P877-F942 VanDerWaalsContact CG-CG 3.45Å; P877-F942 HydrophobicContact CG-CZ 4.3Å; F912-F942 HydrophobicContact CE1-CB 4.14Å; F912-F942 HydrophobicContact CZ-CB 3.64Å; I913-F942 PolarHBondContact O-N 3.25Å; W914-F942 AromaticContact CD1-CD1 3.92Å; W914-F942 HydrophobicContact CD2-CD1 4.37Å; W914-F942 AromaticContact CE2-CD1 3.83Å; W914-F942 HydrophobicContact CG-CD1 4.44Å; W914-F942 HydrophobicContact CZ2-CD1 4.28Å; W914-F942 HydrophobicContact CZ2-CE1 4.17Å; W914-F942 AromaticContact NE1-CD1 3.53Å; W914-F942 AromaticContact NE1-CE1 3.83Å; G915-F942 PolarHBondContact N-O 2.81Å
943	L	86.9	Confident	81	Confident	48 Å²	48	70.8 Å²	70.8	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.5	174.4	-178.4	62.9	0	0	0	109.3	F893 Q917 W923 F941	F893-L943 HydrophobicContact CD2-CD1 3.75Å; F893-L943 HydrophobicContact CE2-CD1 3.91Å; Q917-L943 HydrophobicContact CG-CD1 4.37Å; W923-L943 HydrophobicContact CE3-CD1 4.15Å; W923-L943 HydrophobicContact CE3-CD2 3.89Å; W923-L943 HydrophobicContact CZ3-CD2 4.23Å; F941-L943 HydrophobicContact CE1-CB 4.14Å; F941-L943 HydrophobicContact CZ-CB 3.9Å
944	H	85.4	Confident	81	Confident	24 Å²	24	67.1 Å²	67.1	11%	0.111	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-60.8	140.2	177.8	-166.6	-81.9	0	0	0	111.3	W914 G915 F916 H961	W914-H944 AromaticContact NE1-CD2 3.64Å; G915-H944 VanDerWaalsContact O-CB 3.29Å; G915-H944 WeakPolarHBondContact O-CB 3.47Å; G915-H944 PolarHBondContact O-N 3.28Å; F916-H944 HydrophobicContact CD1-CB 3.6Å; F916-H944 AromaticContact CD1-CD2 3.99Å; F916-H944 AromaticContact CD1-CG 3.62Å; F916-H944 HydrophobicContact CE1-CB 3.85Å; F916-H944 AromaticContact CE1-CD2 3.47Å; F916-H944 VanDerWaalsContact CE1-CD2 3.47Å; F916-H944 WeakPolarHBondContact CE1-CD2 3.38Å; F916-H944 AromaticContact CE1-CG 3.61Å; F916-H944 HydrophobicContact CG-CB 4.09Å; F916-H944 HydrophobicContact CZ-CB 4.5Å; H944-H961 AromaticContact CD2-CE1 3.92Å; H944-H961 AromaticContact NE2-CE1 3.38Å; H944-H961 PolarHBondContact NE2-CE1 3.37Å; H944-H961 AromaticContact NE2-NE2 3.41Å; H944-H961 PolarHBondContact NE2-NE2 3.34Å
945	P	82.6	Confident	81.3	Confident	57 Å²	57	65.1 Å²	65.1	37%	0.37	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-49.8	145.7	169.5	-29.2	36	0	0	0	112.5	V874 C947	V874-P945 HydrophobicContact CB-CG 4.4Å; P945-C947 PolarHBondContact O-N 2.73Å; P945-C947 VanDerWaalsContact O-N 3.17Å
946	R	79.6	Confident	81.4	Confident	139 Å²	139	70.9 Å²	70.9	53%	0.525	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-52.7	124.4	-171.7	-68.6	-167.4	-174	104.8	1.6	111.9	Q917 N922	Q917-R946 HydrophobicContact CG-CG 4.32Å; N922-R946 PolarHBondContact OD1-NH2 3.4Å
947	C	80.8	Confident	81.6	Confident	17 Å²	17	67.2 Å²	67.2	12%	0.115	32%	0.317	C	S	.	.			trans	-70.8	-179	177.7	-56.1	0	0	0	0	111	Q917 G919 P945 A953	Q917-C947 WeakPolarHBondContact O-CB 3.42Å; Q917-C947 PolarHBondContact O-N 3.26Å; Q917-C947 PolarHBondContact O-SG 2.9Å; Q917-C947 VanDerWaalsContact O-SG 3.41Å; G919-C947 WeakPolarHBondContact CA-O 3.46Å; G919-C947 PolarHBondContact N-O 2.84Å; P945-C947 PolarHBondContact O-N 2.73Å; P945-C947 VanDerWaalsContact O-N 3.17Å; C947-A953 HydrophobicContact CB-CB 4.01Å
948	S	77	Confident	82.1	Confident	64 Å²	64	57.4 Å²	57.4	45%	0.448	28%	0.28	S	S	.	.			trans	-61.8	160.6	-178	-163.4	0	0	0	0	113.2	G919 R950 A953	G919-S948 PolarHBondContact N-O 3.3Å; S948-R950 PolarHBondContact O-N 3.49Å; S948-R950 VanDerWaalsContact O-N 3.07Å; S948-A953 WeakPolarHBondContact O-CB 3.18Å
949	K	77	Confident	82.5	Confident	156 Å²	156	56.5 Å²	56.5	68%	0.678	28%	0.279	S	S	*	.	S	Bend	trans	-75.5	14.7	176.2	-60.8	-163.4	173.5	-165.4	0	114.7	G919 N920	G919-K949 VanDerWaalsContact O-CE 3.31Å; G919-K949 WeakPolarHBondContact O-CE 3.42Å; N920-K949 PolarHBondContact ND2-O 3.06Å; N920-K949 WeakPolarHBondContact OD1-CB 3.3Å; N920-K949 WeakPolarHBondContact OD1-CD 3.16Å; N920-K949 WeakPolarHBondContact OD1-CG 3.19Å
950	R	74.6	Confident	82.9	Confident	155 Å²	155	59.1 Å²	59.1	59%	0.585	28%	0.283	S	S	*	.	S	Bend	trans	-87.3	152.1	173.6	-65.8	-173.1	-72.8	165.1	1.6	108.7	S948 D952 A953	S948-R950 PolarHBondContact O-N 3.49Å; S948-R950 VanDerWaalsContact O-N 3.07Å; R950-D952 PolarHBondContact O-N 3Å; R950-A953 HydrophobicContact CB-CB 4.39Å; R950-A953 WeakPolarHBondContact O-CB 3.36Å; R950-A953 PolarHBondContact O-N 3.28Å
951	K	69.8	Low	83.1	Confident	154 Å²	154	59.4 Å²	59.4	67%	0.67	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-50.4	-176.1	179.9	-174.5	162.7	-71.9	0	111.7	A953	K951-A953 PolarHBondContact O-N 3.41Å
952	D	78.4	Confident	83.1	Confident	64 Å²	64	58.3 Å²	58.3	34%	0.342	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	26.4	-167.7	-22.6	-75.9	0	0	0	111	R950 D955 F956	R950-D952 PolarHBondContact O-N 3Å; D952-D955 WeakPolarHBondContact CA-OD2 3.5Å; D952-D955 PolarHBondContact O-N 3.25Å; D952-F956 HydrophobicContact CB-CD2 4.48Å; D952-F956 HydrophobicContact CB-CE2 4.23Å; D952-F956 WeakPolarHBondContact O-CD2 3.34Å; D952-F956 PolarHBondContact O-N 2.81Å
953	A	81.8	Confident	83	Confident	5 Å²	5	58.5 Å²	58.5	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-77.7	-27	-167.8	0	0	0	0	0	114.1	C947 S948 R950 K951 A957	C947-A953 HydrophobicContact CB-CB 4.01Å; S948-A953 WeakPolarHBondContact O-CB 3.18Å; R950-A953 HydrophobicContact CB-CB 4.39Å; R950-A953 WeakPolarHBondContact O-CB 3.36Å; R950-A953 PolarHBondContact O-N 3.28Å; K951-A953 PolarHBondContact O-N 3.41Å; A953-A957 PolarHBondContact O-N 3Å
954	A	82.7	Confident	83	Confident	1 Å²	1	62 Å²	62	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-43.5	169.9	0	0	0	0	0	110.4	D892 F916 F956 A957 I958	D892-A954 HydrophobicContact CB-CB 4.24Å; D892-A954 WeakPolarHBondContact OD1-CB 3.35Å; F916-A954 HydrophobicContact CB-CB 4.07Å; A954-F956 PolarHBondContact O-N 2.91Å; A954-A957 CarbonylContact O-C 3.57Å; A954-A957 WeakPolarHBondContact O-CA 3.44Å; A954-A957 WeakPolarHBondContact O-CB 3.26Å; A954-A957 PolarHBondContact O-N 3.49Å; A954-I958 WeakPolarHBondContact O-CG1 3.35Å; A954-I958 PolarHBondContact O-N 2.9Å
955	D	85.9	Confident	83.1	Confident	35 Å²	35	61.1 Å²	61.1	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-46.5	178.9	-47.6	-56.3	0	0	0	112.1	D952 A957 I958 C959 F984	D952-D955 WeakPolarHBondContact CA-OD2 3.5Å; D952-D955 PolarHBondContact O-N 3.25Å; D955-A957 PolarHBondContact O-N 2.92Å; D955-I958 PolarHBondContact O-N 2.98Å; D955-C959 WeakPolarHBondContact O-CB 3.45Å; D955-C959 PolarHBondContact O-N 2.73Å; D955-C959 PolarHBondContact O-SG 2.86Å; D955-C959 VanDerWaalsContact O-SG 3.39Å; D955-F984 HydrophobicContact CB-CE1 4.38Å; D955-F984 HydrophobicContact CB-CZ 3.76Å; D955-F984 WeakPolarHBondContact OD1-CZ 3.44Å
956	F	84.9	Confident	83.4	Confident	124 Å²	124	59 Å²	59	54%	0.544	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-31.7	174.4	-76	-62	0	0	0	113	D952 A954 M960	D952-F956 HydrophobicContact CB-CD2 4.48Å; D952-F956 HydrophobicContact CB-CE2 4.23Å; D952-F956 WeakPolarHBondContact O-CD2 3.34Å; D952-F956 PolarHBondContact O-N 2.81Å; A954-F956 PolarHBondContact O-N 2.91Å; F956-M960 WeakPolarHBondContact O-CB 3.42Å; F956-M960 PolarHBondContact O-N 3.38Å
957	A	85.8	Confident	83.7	Confident	8 Å²	8	60.3 Å²	60.3	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-74.5	-43.7	175.9	0	0	0	0	0	111.7	F916 A953 A954 D955 C959 M960 H961	F916-A957 HydrophobicContact CD1-CB 3.63Å; F916-A957 HydrophobicContact CE1-CB 3.87Å; A953-A957 PolarHBondContact O-N 3Å; A954-A957 CarbonylContact O-C 3.57Å; A954-A957 WeakPolarHBondContact O-CA 3.44Å; A954-A957 WeakPolarHBondContact O-CB 3.26Å; A954-A957 PolarHBondContact O-N 3.49Å; D955-A957 PolarHBondContact O-N 2.92Å; A957-C959 PolarHBondContact O-N 3.38Å; A957-M960 PolarHBondContact O-N 2.81Å; A957-H961 WeakPolarHBondContact O-CB 3.44Å; A957-H961 PolarHBondContact O-CD2 2.82Å; A957-H961 VanDerWaalsContact O-CD2 3.3Å; A957-H961 PolarHBondContact O-N 2.79Å
958	I	89.1	Confident	83.8	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-56.4	-51.1	173.9	-69.2	167.1	0	0	0	110.1	F890 D892 F916 A954 D955 M960 H961 A962 I977 F984	F890-I958 HydrophobicContact CB-CG1 4.49Å; F890-I958 HydrophobicContact CB-CG2 3.94Å; F890-I958 HydrophobicContact CD1-CG2 4.46Å; F890-I958 HydrophobicContact CG-CG2 4.32Å; D892-I958 HydrophobicContact CB-CD1 4.01Å; F916-I958 HydrophobicContact CB-CD1 4.43Å; F916-I958 HydrophobicContact CB-CG1 4.27Å; F916-I958 HydrophobicContact CD1-CG1 4.16Å; F916-I958 HydrophobicContact CD2-CD1 4.09Å; F916-I958 HydrophobicContact CD2-CG1 3.44Å; F916-I958 VanDerWaalsContact CD2-CG1 3.44Å; F916-I958 HydrophobicContact CE1-CG1 4.4Å; F916-I958 HydrophobicContact CE2-CG1 3.76Å; F916-I958 HydrophobicContact CG-CD1 4.33Å; F916-I958 HydrophobicContact CG-CG1 3.69Å; F916-I958 HydrophobicContact CZ-CG1 4.22Å; A954-I958 WeakPolarHBondContact O-CG1 3.35Å; A954-I958 PolarHBondContact O-N 2.9Å; D955-I958 PolarHBondContact O-N 2.98Å; I958-M960 VanDerWaalsContact C-N 3.34Å; I958-M960 PolarHBondContact O-N 2.79Å; I958-H961 PolarHBondContact O-N 3.4Å; I958-A962 VanDerWaalsContact O-CB 3.22Å; I958-A962 WeakPolarHBondContact O-CB 3.3Å; I958-A962 PolarHBondContact O-N 2.85Å; I958-I977 HydrophobicContact CG2-CD1 4.24Å; I958-I977 HydrophobicContact CG2-CG1 4.47Å; I958-I977 HydrophobicContact CG2-CG2 4.19Å; I958-F984 HydrophobicContact CB-CE1 4.03Å; I958-F984 HydrophobicContact CB-CZ 4.47Å; I958-F984 HydrophobicContact CD1-CZ 4.4Å; I958-F984 HydrophobicContact CG2-CD1 4.34Å; I958-F984 HydrophobicContact CG2-CE1 3.66Å; I958-F984 HydrophobicContact CG2-CZ 4.33Å
959	C	88.7	Confident	84.3	Confident	43 Å²	43	60.8 Å²	60.8	29%	0.291	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-43.4	177.3	-71.3	0	0	0	0	112.7	D955 A957 G963 L987	D955-C959 WeakPolarHBondContact O-CB 3.45Å; D955-C959 PolarHBondContact O-N 2.73Å; D955-C959 PolarHBondContact O-SG 2.86Å; D955-C959 VanDerWaalsContact O-SG 3.39Å; A957-C959 PolarHBondContact O-N 3.38Å; C959-G963 PolarHBondContact O-N 3.48Å; C959-G963 VanDerWaalsContact O-N 3.13Å; C959-L987 HydrophobicContact CB-CD2 4.4Å
960	M	87.4	Confident	84.7	Confident	89 Å²	89	55.5 Å²	55.5	44%	0.438	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-40.2	179.7	-178	177.3	68	0	0	112.8	F956 A957 I958 R964	F956-M960 WeakPolarHBondContact O-CB 3.42Å; F956-M960 PolarHBondContact O-N 3.38Å; A957-M960 PolarHBondContact O-N 2.81Å; I958-M960 VanDerWaalsContact C-N 3.34Å; I958-M960 PolarHBondContact O-N 2.79Å; M960-R964 WeakPolarHBondContact O-CG 3.47Å; M960-R964 PolarHBondContact O-N 3.07Å
961	H	88.2	Confident	85.3	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.06	25%	0.254	C	S	.	.	H	α-helix	trans	-79.9	-43.5	-176.9	-79.9	-109.8	0	0	0	112.1	W914 F916 H944 A957 I958 G963 R964 L965	W914-H961 AromaticContact CH2-ND1 3.69Å; W914-H961 AromaticContact CZ2-ND1 3.45Å; W914-H961 WeakPolarHBondContact CZ2-ND1 3.46Å; F916-H961 HydrophobicContact CE1-CB 4.43Å; F916-H961 HydrophobicContact CZ-CB 4.17Å; H944-H961 AromaticContact CD2-CE1 3.92Å; H944-H961 AromaticContact NE2-CE1 3.38Å; H944-H961 PolarHBondContact NE2-CE1 3.37Å; H944-H961 AromaticContact NE2-NE2 3.41Å; H944-H961 PolarHBondContact NE2-NE2 3.34Å; A957-H961 WeakPolarHBondContact O-CB 3.44Å; A957-H961 PolarHBondContact O-CD2 2.82Å; A957-H961 VanDerWaalsContact O-CD2 3.3Å; A957-H961 PolarHBondContact O-N 2.79Å; I958-H961 PolarHBondContact O-N 3.4Å; H961-G963 VanDerWaalsContact C-N 3.3Å; H961-G963 PolarHBondContact O-N 2.93Å; H961-R964 PolarHBondContact O-N 3.34Å; H961-L965 WeakPolarHBondContact O-CG 3.46Å; H961-L965 PolarHBondContact O-N 3.41Å
962	A	89.3	Confident	86	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-36.5	174.9	0	0	0	0	0	111.7	F890 I958 L965 D966 F975 L987 F991	F890-A962 HydrophobicContact CD1-CB 4.33Å; F890-A962 HydrophobicContact CD2-CB 4.4Å; F890-A962 HydrophobicContact CE1-CB 3.83Å; F890-A962 HydrophobicContact CE2-CB 3.91Å; F890-A962 HydrophobicContact CZ-CB 3.6Å; I958-A962 VanDerWaalsContact O-CB 3.22Å; I958-A962 WeakPolarHBondContact O-CB 3.3Å; I958-A962 PolarHBondContact O-N 2.85Å; A962-L965 PolarHBondContact O-N 2.93Å; A962-D966 PolarHBondContact O-N 3.49Å; A962-F975 WeakPolarHBondContact O-CE2 3.14Å; A962-L987 HydrophobicContact CB-CD2 4.4Å; A962-F991 HydrophobicContact CB-CE2 4.4Å; A962-F991 HydrophobicContact CB-CZ 3.75Å
963	G	87.2	Confident	86.5	Confident	31 Å²	31	47.9 Å²	47.9	32%	0.32	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-43.1	172.4	0	0	0	0	0	113.6	C959 H961 D966	C959-G963 PolarHBondContact O-N 3.48Å; C959-G963 VanDerWaalsContact O-N 3.13Å; H961-G963 VanDerWaalsContact C-N 3.3Å; H961-G963 PolarHBondContact O-N 2.93Å; G963-D966 PolarHBondContact O-N 3.39Å
964	R	86.6	Confident	86.9	Confident	122 Å²	122	47.8 Å²	47.8	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-66.8	-44.2	175.5	-73.7	169.6	177.9	166.9	-0.9	112.6	M960 H961 D966 E967 Q968	M960-R964 WeakPolarHBondContact O-CG 3.47Å; M960-R964 PolarHBondContact O-N 3.07Å; H961-R964 PolarHBondContact O-N 3.34Å; R964-D966 PolarHBondContact O-N 3.48Å; R964-E967 PolarHBondContact O-N 2.9Å; R964-Q968 WeakPolarHBondContact O-CG 3.44Å; R964-Q968 PolarHBondContact O-N 2.88Å
965	L	87.1	Confident	87.5	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-31.1	177.2	-71.1	-177.5	0	0	0	112	L879 L882 I888 F890 W914 H961 A962 E967 Q968 L969 F975	L879-L965 HydrophobicContact CD2-CD2 3.69Å; L882-L965 HydrophobicContact CD1-CD1 4.37Å; L882-L965 HydrophobicContact CD1-CD2 3.85Å; I888-L965 HydrophobicContact CD1-CD1 4.47Å; F890-L965 HydrophobicContact CE1-CD1 4.09Å; F890-L965 HydrophobicContact CZ-CD1 3.82Å; W914-L965 HydrophobicContact CE3-CD1 3.99Å; W914-L965 HydrophobicContact CZ3-CD1 3.71Å; W914-L965 HydrophobicContact CZ3-CD2 4.48Å; W914-L965 HydrophobicContact CZ3-CG 4.43Å; H961-L965 WeakPolarHBondContact O-CG 3.46Å; H961-L965 PolarHBondContact O-N 3.41Å; A962-L965 PolarHBondContact O-N 2.93Å; L965-E967 VanDerWaalsContact C-N 3.31Å; L965-E967 PolarHBondContact O-N 3.23Å; L965-Q968 PolarHBondContact O-N 3.2Å; L965-L969 HydrophobicContact CB-CD1 4.04Å; L965-L969 HydrophobicContact CB-CG 4.33Å; L965-L969 HydrophobicContact CD1-CD1 4.39Å; L965-L969 HydrophobicContact CD2-CD1 4.03Å; L965-L969 HydrophobicContact CD2-CG 4.17Å; L965-L969 HydrophobicContact CG-CD1 4.38Å; L965-L969 VanDerWaalsContact O-CB 3.31Å; L965-L969 WeakPolarHBondContact O-CB 3.41Å; L965-L969 WeakPolarHBondContact O-CG 2.95Å; L965-L969 PolarHBondContact O-N 2.98Å; L965-F975 HydrophobicContact CB-CE2 4.08Å; L965-F975 HydrophobicContact CB-CZ 3.69Å
966	D	89.6	Confident	87.8	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.064	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-40.1	175.3	-178.6	46.8	0	0	0	112.3	A962 G963 R964 K971 F975 F991 T994 R996	A962-D966 PolarHBondContact O-N 3.49Å; G963-D966 PolarHBondContact O-N 3.39Å; R964-D966 PolarHBondContact O-N 3.48Å; D966-K971 PolarHBondContact O-NZ 2.87Å; D966-K971 IonicContact OD1-NZ 2.86Å; D966-K971 PolarHBondContact OD1-NZ 3.35Å; D966-K971 IonicContact OD2-NZ 2.68Å; D966-K971 PolarHBondContact OD2-NZ 3.39Å; D966-F975 HydrophobicContact CB-CE2 4.12Å; D966-F991 HydrophobicContact CB-CD1 3.86Å; D966-F991 HydrophobicContact CB-CE1 3.61Å; D966-T994 PolarHBondContact OD1-OG1 3.1Å; D966-T994 WeakPolarHBondContact OD2-CB 3.47Å; D966-T994 WeakPolarHBondContact OD2-CG2 3.43Å; D966-T994 PolarHBondContact OD2-OG1 3.37Å; D966-R996 PolarHBondContact O-NH2 3.12Å; D966-R996 IonicContact OD1-CZ 3.87Å; D966-R996 IonicContact OD1-NE 3.77Å; D966-R996 PolarHBondContact OD1-NE 3.43Å; D966-R996 IonicContact OD1-NH2 3.64Å; D966-R996 PolarHBondContact OD1-NH2 2.9Å
967	E	85.3	Confident	88.1	Confident	166 Å²	166	40.6 Å²	40.6	78%	0.776	20%	0.204	S	C	*	.	H	α-helix	trans	-70.3	-32.3	177.1	-172.9	172	-148.2	0	0	112.8	R964 L965	R964-E967 PolarHBondContact O-N 2.9Å; L965-E967 VanDerWaalsContact C-N 3.31Å; L965-E967 PolarHBondContact O-N 3.23Å
968	Q	84.1	Confident	88.2	Confident	83 Å²	83	40.3 Å²	40.3	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-102.2	-22.2	-167.1	-66	177.1	-15.8	0	0	115.5	R883 R964 L965	R883-Q968 PolarHBondContact NE-O 2.69Å; R883-Q968 PolarHBondContact NH2-O 3.16Å; R964-Q968 WeakPolarHBondContact O-CG 3.44Å; R964-Q968 PolarHBondContact O-N 2.88Å; L965-Q968 PolarHBondContact O-N 3.2Å
969	L	87.6	Confident	87.8	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-100.8	151.3	-179.3	-61.2	-175.7	0	0	0	112.6	L882 R883 I888 L965 K971 F975 R996	L882-L969 HydrophobicContact CB-CD1 4.33Å; L882-L969 HydrophobicContact CB-CD2 4.01Å; R883-L969 HydrophobicContact CG-CD2 3.77Å; I888-L969 HydrophobicContact CD1-CD1 3.4Å; L965-L969 HydrophobicContact CB-CD1 4.04Å; L965-L969 HydrophobicContact CB-CG 4.33Å; L965-L969 HydrophobicContact CD1-CD1 4.39Å; L965-L969 HydrophobicContact CD2-CD1 4.03Å; L965-L969 HydrophobicContact CD2-CG 4.17Å; L965-L969 HydrophobicContact CG-CD1 4.38Å; L965-L969 VanDerWaalsContact O-CB 3.31Å; L965-L969 WeakPolarHBondContact O-CB 3.41Å; L965-L969 WeakPolarHBondContact O-CG 2.95Å; L965-L969 PolarHBondContact O-N 2.98Å; L969-K971 PolarHBondContact O-N 2.81Å; L969-F975 HydrophobicContact CD1-CE1 4.16Å; L969-F975 HydrophobicContact CD1-CZ 4.22Å; L969-R996 PolarHBondContact O-NH2 2.9Å
970	P	85.7	Confident	86.7	Confident	45 Å²	45	40.3 Å²	40.3	29%	0.292	21%	0.207	S	C	.	.			trans	-51.3	137.3	171.7	-25	32.1	0	0	0	112.4	R883 Q972 I973 R996	R883-P970 HydrophobicContact CG-CG 4.39Å; P970-Q972 PolarHBondContact O-N 2.94Å; P970-I973 HydrophobicContact CG-CD1 4.44Å; P970-I973 PolarHBondContact O-N 3.41Å; P970-R996 PolarHBondContact O-NH1 3.14Å; P970-R996 PolarHBondContact O-NH2 3.43Å
971	K	86.8	Confident	85.6	Confident	72 Å²	72	41.2 Å²	41.2	31%	0.313	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.9	-173.8	-64.7	-56.1	-166.6	-173.9	0	113.7	D966 L969 I973 T994 R996 P997	D966-K971 PolarHBondContact O-NZ 2.87Å; D966-K971 IonicContact OD1-NZ 2.86Å; D966-K971 PolarHBondContact OD1-NZ 3.35Å; D966-K971 IonicContact OD2-NZ 2.68Å; D966-K971 PolarHBondContact OD2-NZ 3.39Å; L969-K971 PolarHBondContact O-N 2.81Å; K971-I973 PolarHBondContact O-N 3.17Å; K971-T994 WeakPolarHBondContact CE-O 3.49Å; K971-R996 HydrophobicContact CD-CB 4.39Å; K971-P997 VanDerWaalsContact O-CD 3.3Å; K971-P997 WeakPolarHBondContact O-CD 3.01Å
972	Q	82.9	Confident	84.4	Confident	134 Å²	134	47.8 Å²	47.8	63%	0.626	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12	176.9	71.3	-92.3	29.2	0	0	114.5	P970 P974 T1022	P970-Q972 PolarHBondContact O-N 2.94Å; Q972-P974 WeakPolarHBondContact O-CD 3.42Å; Q972-T1022 WeakPolarHBondContact O-CG2 3.45Å
973	I	89.3	Confident	83.6	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.041	28%	0.275	C	S	.	.	S	Bend	trans	-81.6	110	177.5	-54.8	176.3	0	0	0	109	M885 I888 P970 K971 R996	M885-I973 WeakPolarHBondContact O-CD1 3.46Å; M885-I973 WeakPolarHBondContact O-CG1 3.24Å; I888-I973 HydrophobicContact CD1-CG2 4.35Å; I888-I973 HydrophobicContact CG1-CG2 4.09Å; P970-I973 HydrophobicContact CG-CD1 4.44Å; P970-I973 PolarHBondContact O-N 3.41Å; K971-I973 PolarHBondContact O-N 3.17Å; I973-R996 PolarHBondContact O-NH1 3.43Å
974	P	90.9	Very high	83.4	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.019	26%	0.262	C	S	.	.			trans	-65	146.2	176.5	25.8	-35.2	0	0	0	112.1	T886 H887 I888 Q972 P997 I1018 T1022	T886-P974 VanDerWaalsContact O-CD 3.28Å; T886-P974 WeakPolarHBondContact O-CD 3.38Å; T886-P974 WeakPolarHBondContact O-CG 3.47Å; H887-P974 HydrophobicContact CB-CG 4.37Å; H887-P974 PolarHBondContact CD2-O 3.43Å; I888-P974 PolarHBondContact N-O 3.13Å; I888-P974 VanDerWaalsContact N-O 3.13Å; Q972-P974 WeakPolarHBondContact O-CD 3.42Å; P974-P997 WeakPolarHBondContact CA-O 3.45Å; P974-P997 HydrophobicContact CB-CB 4.15Å; P974-I1018 HydrophobicContact CB-CG2 3.57Å; P974-I1018 HydrophobicContact CG-CG2 3.6Å; P974-T1022 HydrophobicContact CG-CG2 4.09Å
975	F	94.5	Very high	82.9	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.5	170.5	-68.3	-5.2	0	0	0	110.7	I888 F890 A962 L965 D966 L969 F991 R996 P997 A998 H999	I888-F975 HydrophobicContact CB-CD1 4Å; I888-F975 HydrophobicContact CB-CE1 4.3Å; I888-F975 HydrophobicContact CD1-CE1 4.07Å; I888-F975 CarbonylContact O-C 3.52Å; I888-F975 WeakPolarHBondContact O-CA 3.39Å; F890-F975 HydrophobicContact CE2-CB 4.03Å; F890-F975 HydrophobicContact CE2-CD1 4.29Å; F890-F975 HydrophobicContact CE2-CD2 4.01Å; F890-F975 AromaticContact CE2-CG 3.85Å; F890-F975 HydrophobicContact CE2-CG 3.85Å; F890-F975 HydrophobicContact CZ-CD2 4.4Å; A962-F975 WeakPolarHBondContact O-CE2 3.14Å; L965-F975 HydrophobicContact CB-CE2 4.08Å; L965-F975 HydrophobicContact CB-CZ 3.69Å; D966-F975 HydrophobicContact CB-CE2 4.12Å; L969-F975 HydrophobicContact CD1-CE1 4.16Å; L969-F975 HydrophobicContact CD1-CZ 4.22Å; F975-F991 HydrophobicContact CD2-CE1 4.32Å; F975-F991 HydrophobicContact CD2-CE2 4.12Å; F975-F991 AromaticContact CD2-CZ 3.99Å; F975-F991 HydrophobicContact CD2-CZ 3.99Å; F975-F991 HydrophobicContact CE2-CE1 4.46Å; F975-F991 HydrophobicContact CE2-CZ 4.43Å; F975-R996 VanDerWaalsContact CD2-CD 3.4Å; F975-R996 VanDerWaalsContact CE2-CD 3.43Å; F975-P997 PolarHBondContact N-O 2.84Å; F975-A998 CarbonylContact O-C 3.55Å; F975-A998 VanDerWaalsContact O-CA 3.28Å; F975-A998 WeakPolarHBondContact O-CA 3.42Å; F975-H999 PolarHBondContact O-N 2.91Å
976	T	92.6	Very high	82.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.1	171	-65.1	0	0	0	0	110.8	H887 I888 V889 F890 L978 H999 L1001 L1015	H887-T976 WeakPolarHBondContact NE2-CB 3.48Å; H887-T976 PolarHBondContact NE2-OG1 3.5Å; I888-T976 PolarHBondContact O-N 3.02Å; V889-T976 CarbonylContact C-O 3.6Å; V889-T976 WeakPolarHBondContact CA-O 3.44Å; V889-T976 HydrophobicContact CG1-CG2 4.46Å; F890-T976 PolarHBondContact N-O 2.95Å; T976-L978 HydrophobicContact CG2-CD2 4.04Å; T976-H999 CarbonylContact C-O 3.41Å; T976-H999 VanDerWaalsContact CA-O 3.27Å; T976-H999 WeakPolarHBondContact CA-O 3.41Å; T976-L1001 HydrophobicContact CG2-CD1 3.81Å; T976-L1001 HydrophobicContact CG2-CG 3.94Å; T976-L1015 HydrophobicContact CG2-CD2 3.92Å
977	I	91.9	Very high	82.3	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.5	176.3	-57.3	176.2	0	0	0	108.4	F890 I958 F984 L987 H999 I1000 L1001	F890-I977 HydrophobicContact CB-CG1 4.28Å; F890-I977 HydrophobicContact CD2-CG1 4.17Å; I958-I977 HydrophobicContact CG2-CD1 4.24Å; I958-I977 HydrophobicContact CG2-CG1 4.47Å; I958-I977 HydrophobicContact CG2-CG2 4.19Å; I977-F984 HydrophobicContact CD1-CB 4.46Å; I977-F984 HydrophobicContact CD1-CD1 4.05Å; I977-F984 HydrophobicContact CD1-CG 4.46Å; I977-F984 HydrophobicContact CG2-CD1 4.06Å; I977-F984 HydrophobicContact CG2-CD2 4.16Å; I977-F984 HydrophobicContact CG2-CE1 4.23Å; I977-F984 HydrophobicContact CG2-CE2 4.33Å; I977-F984 HydrophobicContact CG2-CG 4.01Å; I977-F984 HydrophobicContact CG2-CZ 4.35Å; I977-L987 HydrophobicContact CD1-CD2 3.64Å; I977-H999 PolarHBondContact N-O 2.78Å; I977-I1000 WeakPolarHBondContact O-CA 3.4Å; I977-L1001 PolarHBondContact O-N 3.22Å
978	L	87	Confident	82.3	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	103.3	175.5	-57.5	-168.8	0	0	0	110	V889 F890 V891 W896 F899 T976 L1001 P1003	V889-L978 HydrophobicContact CG1-CD1 4.34Å; V889-L978 HydrophobicContact CG1-CG 4.15Å; F890-L978 PolarHBondContact O-N 2.82Å; V891-L978 HydrophobicContact CG1-CD1 4.19Å; V891-L978 HydrophobicContact CG2-CD1 3.75Å; V891-L978 HydrophobicContact CG2-CG 4.16Å; W896-L978 PolarHBondContact NE1-O 2.96Å; F899-L978 HydrophobicContact CD2-CD1 3.58Å; F899-L978 HydrophobicContact CE2-CD1 3.26Å; F899-L978 HydrophobicContact CG-CD1 4.44Å; F899-L978 HydrophobicContact CZ-CD1 3.9Å; T976-L978 HydrophobicContact CG2-CD2 4.04Å; L978-L1001 WeakPolarHBondContact CA-O 3.32Å; L978-L1001 HydrophobicContact CD2-CB 3.85Å; L978-L1001 HydrophobicContact CD2-CD1 4.38Å; L978-P1003 HydrophobicContact CB-CG 3.97Å; L978-P1003 HydrophobicContact CD1-CG 4.3Å; L978-P1003 HydrophobicContact CD2-CG 4.47Å; L978-P1003 HydrophobicContact CG-CG 4.48Å
979	S	82	Confident	82.1	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.07	26%	0.26	C	S	.	.			trans	-144.2	138.1	-177.8	-178.5	0	0	0	0	111.8	D981 F984 L1001 N1002	S979-D981 PolarHBondContact OG-N 2.93Å; S979-D981 PolarHBondContact OG-O 2.95Å; S979-F984 VanDerWaalsContact CB-CD2 3.46Å; S979-F984 WeakPolarHBondContact OG-CD2 3.24Å; S979-F984 WeakPolarHBondContact OG-CE2 3.24Å; S979-L1001 PolarHBondContact N-O 3Å; S979-N1002 WeakPolarHBondContact O-CA 3.44Å; S979-N1002 WeakPolarHBondContact O-CB 3.49Å
980	G	64.5	Low	82	Confident	35 Å²	35	51.2 Å²	51.2	36%	0.361	28%	0.278	S	S	.	.	S	Bend	trans	-86.2	-24.2	166.8	0	0	0	0	0	112.6
981	D	64.6	Low	82.1	Confident	107 Å²	107	49.3 Å²	49.3	57%	0.572	27%	0.265	S	S	*	.	S	Bend	trans	-91.1	141.5	-177.4	-77.7	-17.5	0	0	0	111.9	S979 G983	S979-D981 PolarHBondContact OG-N 2.93Å; S979-D981 PolarHBondContact OG-O 2.95Å; D981-G983 PolarHBondContact O-N 3.11Å
982	Q	63.9	Low	82	Confident	151 Å²	151	51 Å²	51	71%	0.706	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-65.7	-3	177.3	-73.3	-171.8	6.7	0	0	114.6	F984 L985	Q982-F984 PolarHBondContact O-N 3.21Å; Q982-F984 VanDerWaalsContact O-N 3.08Å; Q982-L985 HydrophobicContact CB-CD1 3.83Å; Q982-L985 HydrophobicContact CB-CG 4.46Å; Q982-L985 HydrophobicContact CG-CD1 3.96Å; Q982-L985 WeakPolarHBondContact O-CB 3.3Å; Q982-L985 WeakPolarHBondContact O-CG 3.49Å; Q982-L985 PolarHBondContact O-N 3.37Å
983	G	70.8	Confident	82.1	Confident	63 Å²	63	52.1 Å²	52.1	65%	0.649	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-57.4	-26.8	-173.8	0	0	0	0	0	114.9	D981	D981-G983 PolarHBondContact O-N 3.11Å
984	F	82.9	Confident	81.8	Confident	7 Å²	7	54.4 Å²	54.4	3%	0.031	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-86.1	-5	179.8	-59.9	-84.1	0	0	0	114.5	D955 I958 I977 S979 Q982 E986 L987 E988 I1000	D955-F984 HydrophobicContact CB-CE1 4.38Å; D955-F984 HydrophobicContact CB-CZ 3.76Å; D955-F984 WeakPolarHBondContact OD1-CZ 3.44Å; I958-F984 HydrophobicContact CB-CE1 4.03Å; I958-F984 HydrophobicContact CB-CZ 4.47Å; I958-F984 HydrophobicContact CD1-CZ 4.4Å; I958-F984 HydrophobicContact CG2-CD1 4.34Å; I958-F984 HydrophobicContact CG2-CE1 3.66Å; I958-F984 HydrophobicContact CG2-CZ 4.33Å; I977-F984 HydrophobicContact CD1-CB 4.46Å; I977-F984 HydrophobicContact CD1-CD1 4.05Å; I977-F984 HydrophobicContact CD1-CG 4.46Å; I977-F984 HydrophobicContact CG2-CD1 4.06Å; I977-F984 HydrophobicContact CG2-CD2 4.16Å; I977-F984 HydrophobicContact CG2-CE1 4.23Å; I977-F984 HydrophobicContact CG2-CE2 4.33Å; I977-F984 HydrophobicContact CG2-CG 4.01Å; I977-F984 HydrophobicContact CG2-CZ 4.35Å; S979-F984 VanDerWaalsContact CB-CD2 3.46Å; S979-F984 WeakPolarHBondContact OG-CD2 3.24Å; S979-F984 WeakPolarHBondContact OG-CE2 3.24Å; Q982-F984 PolarHBondContact O-N 3.21Å; Q982-F984 VanDerWaalsContact O-N 3.08Å; F984-E986 PolarHBondContact O-N 2.81Å; F984-L987 HydrophobicContact CD1-CD2 4.16Å; F984-L987 WeakPolarHBondContact O-CA 3.35Å; F984-L987 WeakPolarHBondContact O-CB 3.46Å; F984-L987 PolarHBondContact O-N 3.44Å; F984-E988 PolarHBondContact O-N 3.44Å; F984-I1000 HydrophobicContact CB-CD1 3.79Å; F984-I1000 HydrophobicContact CB-CG1 4.26Å
985	L	77.8	Confident	81.5	Confident	74 Å²	74	61.6 Å²	61.6	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-58.3	-32.8	178.9	-74.9	172.8	0	0	0	112.5	Q982 N989 I1000	Q982-L985 HydrophobicContact CB-CD1 3.83Å; Q982-L985 HydrophobicContact CB-CG 4.46Å; Q982-L985 HydrophobicContact CG-CD1 3.96Å; Q982-L985 WeakPolarHBondContact O-CB 3.3Å; Q982-L985 WeakPolarHBondContact O-CG 3.49Å; Q982-L985 PolarHBondContact O-N 3.37Å; L985-N989 WeakPolarHBondContact O-CB 3.39Å; L985-N989 PolarHBondContact O-N 2.87Å; L985-N989 VanDerWaalsContact O-N 3.11Å; L985-N989 PolarHBondContact O-ND2 2.79Å; L985-I1000 HydrophobicContact CD2-CD1 4.06Å; L985-I1000 HydrophobicContact CG-CD1 4.37Å
986	E	80.8	Confident	81.2	Confident	144 Å²	144	61.7 Å²	61.7	67%	0.673	32%	0.324	S	S	*	.	H	α-helix	trans	-68.4	-35.8	175.1	-175.5	164.2	-169.6	0	0	112.2	F984 N989 Q990	F984-E986 PolarHBondContact O-N 2.81Å; E986-N989 CarbonylContact O-C 3.59Å; E986-N989 PolarHBondContact O-N 3Å; E986-Q990 WeakPolarHBondContact O-CG 3.49Å; E986-Q990 PolarHBondContact O-N 3.22Å
987	L	83.1	Confident	81	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-71.6	-41.3	178.4	-175.1	67.7	0	0	0	111.7	C959 A962 I977 F984 N989 Q990 F991	C959-L987 HydrophobicContact CB-CD2 4.4Å; A962-L987 HydrophobicContact CB-CD2 4.4Å; I977-L987 HydrophobicContact CD1-CD2 3.64Å; F984-L987 HydrophobicContact CD1-CD2 4.16Å; F984-L987 WeakPolarHBondContact O-CA 3.35Å; F984-L987 WeakPolarHBondContact O-CB 3.46Å; F984-L987 PolarHBondContact O-N 3.44Å; L987-N989 VanDerWaalsContact C-N 3.28Å; L987-N989 PolarHBondContact O-N 2.92Å; L987-Q990 WeakPolarHBondContact O-CA 3.3Å; L987-Q990 WeakPolarHBondContact O-CB 3.47Å; L987-Q990 PolarHBondContact O-N 3.32Å; L987-F991 HydrophobicContact CD1-CE1 4.15Å; L987-F991 HydrophobicContact CD1-CE2 4.15Å; L987-F991 HydrophobicContact CD1-CZ 3.69Å; L987-F991 HydrophobicContact CD2-CE2 3.98Å; L987-F991 HydrophobicContact CD2-CZ 4.03Å; L987-F991 HydrophobicContact CG-CD2 4.34Å; L987-F991 HydrophobicContact CG-CE1 4.47Å; L987-F991 HydrophobicContact CG-CE2 3.59Å; L987-F991 HydrophobicContact CG-CZ 3.65Å; L987-F991 WeakPolarHBondContact O-CD2 3.36Å; L987-F991 PolarHBondContact O-N 3.32Å
988	E	83.8	Confident	80.9	Confident	32 Å²	32	64.9 Å²	64.9	15%	0.15	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-40.7	171.1	-168.1	-144.7	-168.4	0	0	111.2	F984 Q990 F991 K992 A998 I1000	F984-E988 PolarHBondContact O-N 3.44Å; E988-Q990 PolarHBondContact O-N 2.99Å; E988-F991 PolarHBondContact O-N 2.84Å; E988-K992 WeakPolarHBondContact O-CG 3.2Å; E988-K992 PolarHBondContact O-N 3.36Å; E988-K992 VanDerWaalsContact OE1-CE 3.24Å; E988-K992 WeakPolarHBondContact OE1-CE 3.4Å; E988-K992 IonicContact OE1-NZ 2.71Å; E988-K992 PolarHBondContact OE1-NZ 2.61Å; E988-K992 IonicContact OE2-NZ 3.73Å; E988-K992 PolarHBondContact OE2-NZ 3.46Å; E988-A998 HydrophobicContact CG-CB 4.26Å; E988-I1000 HydrophobicContact CB-CD1 3.92Å; E988-I1000 HydrophobicContact CB-CG1 4.35Å; E988-I1000 HydrophobicContact CG-CD1 4.48Å
989	N	81.8	Confident	80.9	Confident	79 Å²	79	68.2 Å²	68.2	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-70.6	-11.7	172.6	-80.4	-70.6	0	0	0	114.3	L985 E986 L987 K993	L985-N989 WeakPolarHBondContact O-CB 3.39Å; L985-N989 PolarHBondContact O-N 2.87Å; L985-N989 VanDerWaalsContact O-N 3.11Å; L985-N989 PolarHBondContact O-ND2 2.79Å; E986-N989 CarbonylContact O-C 3.59Å; E986-N989 PolarHBondContact O-N 3Å; L987-N989 VanDerWaalsContact C-N 3.28Å; L987-N989 PolarHBondContact O-N 2.92Å; N989-K993 VanDerWaalsContact O-CD 3.3Å; N989-K993 WeakPolarHBondContact O-CD 3.2Å; N989-K993 WeakPolarHBondContact O-CE 3.46Å; N989-K993 WeakPolarHBondContact O-CG 3.31Å
990	Q	84.5	Confident	81.2	Confident	90 Å²	90	70 Å²	70	42%	0.421	37%	0.369	S	S	.	.	H	α-helix	trans	-84.3	-45.8	167.4	-70.6	173.8	24.8	0	0	110.5	E986 L987 E988 K992 K993 T994	E986-Q990 WeakPolarHBondContact O-CG 3.49Å; E986-Q990 PolarHBondContact O-N 3.22Å; L987-Q990 WeakPolarHBondContact O-CA 3.3Å; L987-Q990 WeakPolarHBondContact O-CB 3.47Å; L987-Q990 PolarHBondContact O-N 3.32Å; E988-Q990 PolarHBondContact O-N 2.99Å; Q990-K992 VanDerWaalsContact C-N 3.32Å; Q990-K992 PolarHBondContact O-N 2.69Å; Q990-K993 WeakPolarHBondContact O-CA 3.35Å; Q990-K993 WeakPolarHBondContact O-CB 3.31Å; Q990-K993 PolarHBondContact O-N 3.22Å; Q990-T994 PolarHBondContact O-N 2.99Å; Q990-T994 VanDerWaalsContact O-N 3.09Å
991	F	87.1	Confident	82.2	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-60.8	-37.5	176	-59.7	-36.1	0	0	0	113.1	A962 D966 F975 L987 E988 K993 T994 Q995 R996 A998	A962-F991 HydrophobicContact CB-CE2 4.4Å; A962-F991 HydrophobicContact CB-CZ 3.75Å; D966-F991 HydrophobicContact CB-CD1 3.86Å; D966-F991 HydrophobicContact CB-CE1 3.61Å; F975-F991 HydrophobicContact CD2-CE1 4.32Å; F975-F991 HydrophobicContact CD2-CE2 4.12Å; F975-F991 AromaticContact CD2-CZ 3.99Å; F975-F991 HydrophobicContact CD2-CZ 3.99Å; F975-F991 HydrophobicContact CE2-CE1 4.46Å; F975-F991 HydrophobicContact CE2-CZ 4.43Å; L987-F991 HydrophobicContact CD1-CE1 4.15Å; L987-F991 HydrophobicContact CD1-CE2 4.15Å; L987-F991 HydrophobicContact CD1-CZ 3.69Å; L987-F991 HydrophobicContact CD2-CE2 3.98Å; L987-F991 HydrophobicContact CD2-CZ 4.03Å; L987-F991 HydrophobicContact CG-CD2 4.34Å; L987-F991 HydrophobicContact CG-CE1 4.47Å; L987-F991 HydrophobicContact CG-CE2 3.59Å; L987-F991 HydrophobicContact CG-CZ 3.65Å; L987-F991 WeakPolarHBondContact O-CD2 3.36Å; L987-F991 PolarHBondContact O-N 3.32Å; E988-F991 PolarHBondContact O-N 2.84Å; F991-K993 VanDerWaalsContact C-N 3.25Å; F991-K993 PolarHBondContact O-N 2.74Å; F991-T994 WeakPolarHBondContact CA-OG1 3.4Å; F991-T994 CarbonylContact O-C 3.58Å; F991-T994 PolarHBondContact O-N 2.88Å; F991-T994 VanDerWaalsContact O-N 3.14Å; F991-T994 PolarHBondContact O-OG1 3.35Å; F991-Q995 PolarHBondContact O-N 2.77Å; F991-R996 CarbonylContact C-O 3.25Å; F991-R996 HydrophobicContact CB-CB 4.3Å; F991-R996 PolarHBondContact O-N 2.79Å; F991-A998 HydrophobicContact CB-CB 3.72Å; F991-A998 HydrophobicContact CD2-CB 3.55Å; F991-A998 HydrophobicContact CG-CB 4.07Å
992	K	84.9	Confident	83	Confident	107 Å²	107	65.9 Å²	65.9	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-29.7	171.1	-72.4	170.5	-177.7	168.3	0	113.4	E988 Q990 Q995	E988-K992 WeakPolarHBondContact O-CG 3.2Å; E988-K992 PolarHBondContact O-N 3.36Å; E988-K992 VanDerWaalsContact OE1-CE 3.24Å; E988-K992 WeakPolarHBondContact OE1-CE 3.4Å; E988-K992 IonicContact OE1-NZ 2.71Å; E988-K992 PolarHBondContact OE1-NZ 2.61Å; E988-K992 IonicContact OE2-NZ 3.73Å; E988-K992 PolarHBondContact OE2-NZ 3.46Å; Q990-K992 VanDerWaalsContact C-N 3.32Å; Q990-K992 PolarHBondContact O-N 2.69Å; K992-Q995 PolarHBondContact O-NE2 3.46Å
993	K	84.9	Confident	83.5	Confident	159 Å²	159	59.4 Å²	59.4	69%	0.691	31%	0.31	S	S	*	.	H	α-helix	trans	-77.7	-34.4	174.3	-66.2	164.2	-170.7	162.6	0	112	N989 Q990 F991 Q995	N989-K993 VanDerWaalsContact O-CD 3.3Å; N989-K993 WeakPolarHBondContact O-CD 3.2Å; N989-K993 WeakPolarHBondContact O-CE 3.46Å; N989-K993 WeakPolarHBondContact O-CG 3.31Å; Q990-K993 WeakPolarHBondContact O-CA 3.35Å; Q990-K993 WeakPolarHBondContact O-CB 3.31Å; Q990-K993 PolarHBondContact O-N 3.22Å; F991-K993 VanDerWaalsContact C-N 3.25Å; F991-K993 PolarHBondContact O-N 2.74Å; K993-Q995 VanDerWaalsContact C-N 3.29Å
994	T	83.6	Confident	83.7	Confident	55 Å²	55	63.4 Å²	63.4	34%	0.337	31%	0.311	S	S	.	.	H	α-helix	trans	-87.9	6.5	178.9	62.1	0	0	0	0	113.9	D966 K971 Q990 F991 R996	D966-T994 PolarHBondContact OD1-OG1 3.1Å; D966-T994 WeakPolarHBondContact OD2-CB 3.47Å; D966-T994 WeakPolarHBondContact OD2-CG2 3.43Å; D966-T994 PolarHBondContact OD2-OG1 3.37Å; K971-T994 WeakPolarHBondContact CE-O 3.49Å; Q990-T994 PolarHBondContact O-N 2.99Å; Q990-T994 VanDerWaalsContact O-N 3.09Å; F991-T994 WeakPolarHBondContact CA-OG1 3.4Å; F991-T994 CarbonylContact O-C 3.58Å; F991-T994 PolarHBondContact O-N 2.88Å; F991-T994 VanDerWaalsContact O-N 3.14Å; F991-T994 PolarHBondContact O-OG1 3.35Å; T994-R996 VanDerWaalsContact C-N 3.33Å; T994-R996 PolarHBondContact O-N 3.07Å
995	Q	84.4	Confident	83.2	Confident	154 Å²	154	69.9 Å²	69.9	72%	0.72	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	31.4	178.7	-54.5	-67.1	-51.5	0	0	114.1	F991 K992 K993	F991-Q995 PolarHBondContact O-N 2.77Å; K992-Q995 PolarHBondContact O-NE2 3.46Å; K993-Q995 VanDerWaalsContact C-N 3.29Å
996	R	89	Confident	83	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.015	33%	0.33	C	S	.	.			trans	-96.6	131.7	167.6	-175.8	177.9	-58	-81.5	-4	110.6	D966 L969 P970 K971 I973 F975 F991 T994 A998	D966-R996 PolarHBondContact O-NH2 3.12Å; D966-R996 IonicContact OD1-CZ 3.87Å; D966-R996 IonicContact OD1-NE 3.77Å; D966-R996 PolarHBondContact OD1-NE 3.43Å; D966-R996 IonicContact OD1-NH2 3.64Å; D966-R996 PolarHBondContact OD1-NH2 2.9Å; L969-R996 PolarHBondContact O-NH2 2.9Å; P970-R996 PolarHBondContact O-NH1 3.14Å; P970-R996 PolarHBondContact O-NH2 3.43Å; K971-R996 HydrophobicContact CD-CB 4.39Å; I973-R996 PolarHBondContact O-NH1 3.43Å; F975-R996 VanDerWaalsContact CD2-CD 3.4Å; F975-R996 VanDerWaalsContact CE2-CD 3.43Å; F991-R996 CarbonylContact C-O 3.25Å; F991-R996 HydrophobicContact CB-CB 4.3Å; F991-R996 PolarHBondContact O-N 2.79Å; T994-R996 VanDerWaalsContact C-N 3.33Å; T994-R996 PolarHBondContact O-N 3.07Å; R996-A998 PolarHBondContact O-N 3.27Å
997	P	87.2	Confident	82.8	Confident	62 Å²	62	67.8 Å²	67.8	40%	0.403	33%	0.331	S	S	.	.			trans	-62.9	127.6	168.2	-18.2	31.3	0	0	0	110.6	K971 P974 F975	K971-P997 VanDerWaalsContact O-CD 3.3Å; K971-P997 WeakPolarHBondContact O-CD 3.01Å; P974-P997 WeakPolarHBondContact CA-O 3.45Å; P974-P997 HydrophobicContact CB-CB 4.15Å; F975-P997 PolarHBondContact N-O 2.84Å
998	A	90	Very high	82.4	Confident	11 Å²	11	67.8 Å²	67.8	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.1	-178.7	0	0	0	0	0	111.5	F975 E988 F991 R996	F975-A998 CarbonylContact O-C 3.55Å; F975-A998 VanDerWaalsContact O-CA 3.28Å; F975-A998 WeakPolarHBondContact O-CA 3.42Å; E988-A998 HydrophobicContact CG-CB 4.26Å; F991-A998 HydrophobicContact CB-CB 3.72Å; F991-A998 HydrophobicContact CD2-CB 3.55Å; F991-A998 HydrophobicContact CG-CB 4.07Å; R996-A998 PolarHBondContact O-N 3.27Å
999	H	88.1	Confident	82.1	Confident	72 Å²	72	71.7 Å²	71.7	33%	0.333	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.8	-177.3	-51.8	-82.6	0	0	0	110.7	F975 T976 I977 I1018	F975-H999 PolarHBondContact O-N 2.91Å; T976-H999 CarbonylContact C-O 3.41Å; T976-H999 VanDerWaalsContact CA-O 3.27Å; T976-H999 WeakPolarHBondContact CA-O 3.41Å; I977-H999 PolarHBondContact N-O 2.78Å; H999-I1018 HydrophobicContact CB-CD1 4.25Å
1000	I	87.8	Confident	82	Confident	48 Å²	48	72.2 Å²	72.2	25%	0.246	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.9	165.7	-57.4	166.8	0	0	0	106.9	I977 F984 L985 E988	I977-I1000 WeakPolarHBondContact O-CA 3.4Å; F984-I1000 HydrophobicContact CB-CD1 3.79Å; F984-I1000 HydrophobicContact CB-CG1 4.26Å; L985-I1000 HydrophobicContact CD2-CD1 4.06Å; L985-I1000 HydrophobicContact CG-CD1 4.37Å; E988-I1000 HydrophobicContact CB-CD1 3.92Å; E988-I1000 HydrophobicContact CB-CG1 4.35Å; E988-I1000 HydrophobicContact CG-CD1 4.48Å
1001	L	84.7	Confident	81.9	Confident	24 Å²	24	68 Å²	68	13%	0.126	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.7	174	-59.8	-179.3	0	0	0	109	T976 I977 L978 S979 P1003 L1006 L1014 L1015	T976-L1001 HydrophobicContact CG2-CD1 3.81Å; T976-L1001 HydrophobicContact CG2-CG 3.94Å; I977-L1001 PolarHBondContact O-N 3.22Å; L978-L1001 WeakPolarHBondContact CA-O 3.32Å; L978-L1001 HydrophobicContact CD2-CB 3.85Å; L978-L1001 HydrophobicContact CD2-CD1 4.38Å; S979-L1001 PolarHBondContact N-O 3Å; L1001-P1003 VanDerWaalsContact O-CD 3.32Å; L1001-P1003 WeakPolarHBondContact O-CD 3.44Å; L1001-L1006 HydrophobicContact CB-CD1 3.95Å; L1001-L1006 HydrophobicContact CD2-CD1 4.25Å; L1001-L1006 HydrophobicContact CG-CD1 4.46Å; L1001-L1014 HydrophobicContact CD1-CB 4.37Å; L1001-L1014 HydrophobicContact CD2-CD1 4.41Å; L1001-L1015 HydrophobicContact CD1-CD2 4.15Å
1002	N	82.2	Confident	81.6	Confident	32 Å²	32	68 Å²	68	17%	0.171	34%	0.337	C	S	.	.			trans	-105.8	104.4	175.2	179.5	-0.8	0	0	0	110.5	S979 H1004 H1005	S979-N1002 WeakPolarHBondContact O-CA 3.44Å; S979-N1002 WeakPolarHBondContact O-CB 3.49Å; N1002-H1004 PolarHBondContact O-N 2.94Å; N1002-H1004 VanDerWaalsContact O-N 3.1Å; N1002-H1004 WeakPolarHBondContact OD1-CB 3.46Å; N1002-H1004 PolarHBondContact OD1-N 2.81Å; N1002-H1005 PolarHBondContact ND2-CE1 3.4Å; N1002-H1005 PolarHBondContact O-N 3.1Å
1003	P	75.4	Confident	81.5	Confident	15 Å²	15	65.9 Å²	65.9	10%	0.097	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.6	176.4	-27.5	34.3	0	0	0	116.7	W896 L978 L1001 H1005 M1011	W896-P1003 HydrophobicContact CD2-CB 4.04Å; W896-P1003 HydrophobicContact CD2-CG 3.84Å; W896-P1003 HydrophobicContact CE3-CB 3.69Å; W896-P1003 HydrophobicContact CE3-CG 4.05Å; W896-P1003 HydrophobicContact CG-CG 4.4Å; W896-P1003 HydrophobicContact CH2-CB 3.78Å; W896-P1003 HydrophobicContact CH2-CG 4.1Å; W896-P1003 HydrophobicContact CZ2-CB 4.14Å; W896-P1003 HydrophobicContact CZ2-CG 3.93Å; W896-P1003 HydrophobicContact CZ3-CB 3.56Å; W896-P1003 HydrophobicContact CZ3-CG 4.18Å; L978-P1003 HydrophobicContact CB-CG 3.97Å; L978-P1003 HydrophobicContact CD1-CG 4.3Å; L978-P1003 HydrophobicContact CD2-CG 4.47Å; L978-P1003 HydrophobicContact CG-CG 4.48Å; L1001-P1003 VanDerWaalsContact O-CD 3.32Å; L1001-P1003 WeakPolarHBondContact O-CD 3.44Å; P1003-H1005 VanDerWaalsContact C-N 3.31Å; P1003-M1011 HydrophobicContact CB-CE 3.54Å; P1003-M1011 HydrophobicContact CG-CE 3.97Å
1004	H	73.8	Confident	81.5	Confident	147 Å²	147	61.3 Å²	61.3	68%	0.681	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.4	172.4	-74	-37.7	0	0	0	113.4	W896 N1002	W896-H1004 HydrophobicContact CH2-CB 4.29Å; W896-H1004 AromaticContact CH2-CD2 3.46Å; W896-H1004 VanDerWaalsContact CH2-CD2 3.46Å; W896-H1004 WeakPolarHBondContact CH2-CD2 3.33Å; W896-H1004 AromaticContact CH2-CE1 3.69Å; W896-H1004 AromaticContact CH2-CG 3.55Å; W896-H1004 AromaticContact CH2-ND1 3.71Å; W896-H1004 AromaticContact CH2-NE2 3.56Å; W896-H1004 AromaticContact CZ3-CE1 3.42Å; W896-H1004 VanDerWaalsContact CZ3-CE1 3.42Å; W896-H1004 WeakPolarHBondContact CZ3-CE1 3.34Å; W896-H1004 AromaticContact CZ3-CG 3.85Å; W896-H1004 AromaticContact CZ3-ND1 3.49Å; W896-H1004 WeakPolarHBondContact CZ3-ND1 3.4Å; W896-H1004 AromaticContact CZ3-NE2 3.75Å; N1002-H1004 PolarHBondContact O-N 2.94Å; N1002-H1004 VanDerWaalsContact O-N 3.1Å; N1002-H1004 WeakPolarHBondContact OD1-CB 3.46Å; N1002-H1004 PolarHBondContact OD1-N 2.81Å
1005	H	71.7	Confident	81.5	Confident	143 Å²	143	58.7 Å²	58.7	66%	0.662	31%	0.306	S	S	*	.	S	Bend	trans	-109.3	4.1	-174.8	-60.5	179.3	0	0	0	112.9	N1002 P1003	N1002-H1005 PolarHBondContact ND2-CE1 3.4Å; N1002-H1005 PolarHBondContact O-N 3.1Å; P1003-H1005 VanDerWaalsContact C-N 3.31Å
1006	L	74	Confident	81.6	Confident	29 Å²	29	52.7 Å²	52.7	15%	0.152	28%	0.279	C	S	.	.	S	Bend	trans	-128.2	117.7	-174	-65.1	172.7	0	0	0	110.5	H902 L1001 M1010 M1011 L1014	H902-L1006 PolarHBondContact CE1-O 3.01Å; H902-L1006 VanDerWaalsContact CE1-O 3.28Å; L1001-L1006 HydrophobicContact CB-CD1 3.95Å; L1001-L1006 HydrophobicContact CD2-CD1 4.25Å; L1001-L1006 HydrophobicContact CG-CD1 4.46Å; L1006-M1010 HydrophobicContact CD2-CE 4.08Å; L1006-M1010 HydrophobicContact CD2-CG 4.14Å; L1006-M1010 HydrophobicContact CD2-SD 4.03Å; L1006-M1011 HydrophobicContact CB-CB 4.44Å; L1006-M1011 HydrophobicContact CB-CE 4.41Å; L1006-L1014 HydrophobicContact CD1-CD1 4.03Å; L1006-L1014 HydrophobicContact CD2-CD1 3.95Å
1007	E	77.3	Confident	81.5	Confident	145 Å²	145	56 Å²	56	68%	0.678	30%	0.302	S	S	*	.			trans	-62.7	155.8	171.4	-63.9	-169.8	152.1	0	0	111.9	D1009 M1010 M1011	E1007-D1009 PolarHBondContact O-N 2.89Å; E1007-M1010 PolarHBondContact O-N 2.98Å; E1007-M1010 VanDerWaalsContact O-N 3.16Å; E1007-M1011 PolarHBondContact O-N 3Å
1008	G	75.1	Confident	81.4	Confident	12 Å²	12	53.8 Å²	53.8	12%	0.124	29%	0.287	C	S	.	.	H	α-helix	trans	-54.9	-44.9	-172.4	0	0	0	0	0	114.8	H902 P904 M1011 C1012	H902-G1008 PolarHBondContact CE1-N 3.43Å; H902-G1008 WeakPolarHBondContact O-CA 3.43Å; P904-G1008 WeakPolarHBondContact CD-O 3.24Å; G1008-M1011 PolarHBondContact O-N 2.8Å; G1008-C1012 WeakPolarHBondContact O-CB 3.28Å; G1008-C1012 PolarHBondContact O-N 3.12Å
1009	D	76.8	Confident	81	Confident	113 Å²	113	53.2 Å²	53.2	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-66.1	-43	178.6	-64.8	-53.8	0	0	0	112.1	P904 E1007 C1012 A1013	P904-D1009 WeakPolarHBondContact CB-OD1 3.47Å; P904-D1009 VanDerWaalsContact CG-OD1 3.28Å; P904-D1009 WeakPolarHBondContact CG-OD1 3.4Å; E1007-D1009 PolarHBondContact O-N 2.89Å; D1009-C1012 PolarHBondContact O-N 2.98Å; D1009-A1013 WeakPolarHBondContact O-CB 3.38Å; D1009-A1013 PolarHBondContact O-N 2.9Å
1010	M	79.1	Confident	80.4	Confident	91 Å²	91	52.5 Å²	52.5	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-40.7	177.7	177	164.8	39.4	0	0	111.8	L1006 E1007 A1013 L1014	L1006-M1010 HydrophobicContact CD2-CE 4.08Å; L1006-M1010 HydrophobicContact CD2-CG 4.14Å; L1006-M1010 HydrophobicContact CD2-SD 4.03Å; E1007-M1010 PolarHBondContact O-N 2.98Å; E1007-M1010 VanDerWaalsContact O-N 3.16Å; M1010-A1013 PolarHBondContact O-N 3.32Å; M1010-L1014 HydrophobicContact CG-CD1 4.14Å; M1010-L1014 WeakPolarHBondContact O-CB 3.17Å; M1010-L1014 VanDerWaalsContact O-CG 3.29Å; M1010-L1014 WeakPolarHBondContact O-CG 3.47Å; M1010-L1014 PolarHBondContact O-N 2.81Å
1011	M	82	Confident	79.4	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-43.2	173.3	-174.8	-171.8	-62.3	0	0	111.9	F899 L903 P1003 L1006 E1007 G1008 L1014 L1015	F899-M1011 HydrophobicContact CD2-SD 4.15Å; F899-M1011 HydrophobicContact CE2-SD 3.8Å; L903-M1011 HydrophobicContact CD2-CB 4.31Å; L903-M1011 HydrophobicContact CD2-CG 4.07Å; L903-M1011 HydrophobicContact CD2-SD 3.85Å; P1003-M1011 HydrophobicContact CB-CE 3.54Å; P1003-M1011 HydrophobicContact CG-CE 3.97Å; L1006-M1011 HydrophobicContact CB-CB 4.44Å; L1006-M1011 HydrophobicContact CB-CE 4.41Å; E1007-M1011 PolarHBondContact O-N 3Å; G1008-M1011 PolarHBondContact O-N 2.8Å; M1011-L1014 PolarHBondContact O-N 3Å; M1011-L1015 HydrophobicContact CG-CD1 4.23Å; M1011-L1015 VanDerWaalsContact O-CG 3.31Å; M1011-L1015 WeakPolarHBondContact O-CG 3.33Å; M1011-L1015 PolarHBondContact O-N 2.94Å
1012	C	82.3	Confident	78.1	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-42.4	177.7	-142.3	0	0	0	0	111.4	L903 P904 H906 G1008 D1009 N1016	L903-C1012 HydrophobicContact CD2-CB 4.12Å; P904-C1012 HydrophobicContact CG-CB 3.72Å; H906-C1012 PolarHBondContact O-SG 2.91Å; G1008-C1012 WeakPolarHBondContact O-CB 3.28Å; G1008-C1012 PolarHBondContact O-N 3.12Å; D1009-C1012 PolarHBondContact O-N 2.98Å; C1012-N1016 WeakPolarHBondContact O-CB 3.36Å; C1012-N1016 VanDerWaalsContact O-CG 3.23Å; C1012-N1016 PolarHBondContact O-N 2.77Å; C1012-N1016 PolarHBondContact O-ND2 3.36Å
1013	A	82	Confident	76.6	Confident	61 Å²	61	57.6 Å²	57.6	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.1	0	0	0	0	0	112.6	D1009 M1010 N1016 S1017	D1009-A1013 WeakPolarHBondContact O-CB 3.38Å; D1009-A1013 PolarHBondContact O-N 2.9Å; M1010-A1013 PolarHBondContact O-N 3.32Å; A1013-N1016 PolarHBondContact O-N 3.11Å; A1013-S1017 VanDerWaalsContact O-CB 3.32Å; A1013-S1017 WeakPolarHBondContact O-CB 3.5Å; A1013-S1017 PolarHBondContact O-N 2.9Å
1014	L	84.4	Confident	74.9	Confident	64 Å²	64	64.5 Å²	64.5	34%	0.335	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-47.9	176.9	-74.8	167.9	0	0	0	112.1	L1001 L1006 M1010 M1011 N1016 S1017 I1018	L1001-L1014 HydrophobicContact CD1-CB 4.37Å; L1001-L1014 HydrophobicContact CD2-CD1 4.41Å; L1006-L1014 HydrophobicContact CD1-CD1 4.03Å; L1006-L1014 HydrophobicContact CD2-CD1 3.95Å; M1010-L1014 HydrophobicContact CG-CD1 4.14Å; M1010-L1014 WeakPolarHBondContact O-CB 3.17Å; M1010-L1014 VanDerWaalsContact O-CG 3.29Å; M1010-L1014 WeakPolarHBondContact O-CG 3.47Å; M1010-L1014 PolarHBondContact O-N 2.81Å; M1011-L1014 PolarHBondContact O-N 3Å; L1014-N1016 VanDerWaalsContact C-N 3.32Å; L1014-N1016 PolarHBondContact O-N 3.41Å; L1014-S1017 PolarHBondContact O-N 3.23Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.48Å; L1014-I1018 VanDerWaalsContact O-CG1 3.24Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.46Å; L1014-I1018 PolarHBondContact O-N 3.37Å
1015	L	85.4	Confident	73.2	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-40.5	178.1	-65.8	173.6	0	0	0	111.6	H887 V889 L907 T976 L1001 M1011 S1019	H887-L1015 PolarHBondContact ND1-O 2.76Å; V889-L1015 HydrophobicContact CG1-CD2 4.24Å; V889-L1015 HydrophobicContact CG2-CD2 3.95Å; L907-L1015 HydrophobicContact CD2-CB 3.67Å; L907-L1015 HydrophobicContact CD2-CD1 4.02Å; T976-L1015 HydrophobicContact CG2-CD2 3.92Å; L1001-L1015 HydrophobicContact CD1-CD2 4.15Å; M1011-L1015 HydrophobicContact CG-CD1 4.23Å; M1011-L1015 VanDerWaalsContact O-CG 3.31Å; M1011-L1015 WeakPolarHBondContact O-CG 3.33Å; M1011-L1015 PolarHBondContact O-N 2.94Å; L1015-S1019 PolarHBondContact O-N 3.47Å; L1015-S1019 VanDerWaalsContact O-N 3.11Å
1016	N	86.2	Confident	71.5	Confident	28 Å²	28	63.5 Å²	63.5	15%	0.15	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-47.6	176.1	-74.9	-14.6	0	0	0	112.5	H906 L907 N908 C1012 A1013 L1014 I1018 S1019 D1020	H906-N1016 PolarHBondContact O-ND2 2.9Å; L907-N1016 VanDerWaalsContact CA-OD1 3.27Å; L907-N1016 WeakPolarHBondContact CA-OD1 3.31Å; L907-N1016 WeakPolarHBondContact CD2-OD1 3.33Å; N908-N1016 PolarHBondContact N-OD1 3.29Å; N908-N1016 VanDerWaalsContact ND2-CA 3.32Å; N908-N1016 WeakPolarHBondContact ND2-CA 3.45Å; N908-N1016 VanDerWaalsContact ND2-CB 3.3Å; N908-N1016 WeakPolarHBondContact ND2-CB 3.4Å; N908-N1016 PolarHBondContact ND2-O 3.21Å; C1012-N1016 WeakPolarHBondContact O-CB 3.36Å; C1012-N1016 VanDerWaalsContact O-CG 3.23Å; C1012-N1016 PolarHBondContact O-N 2.77Å; C1012-N1016 PolarHBondContact O-ND2 3.36Å; A1013-N1016 PolarHBondContact O-N 3.11Å; L1014-N1016 VanDerWaalsContact C-N 3.32Å; L1014-N1016 PolarHBondContact O-N 3.41Å; N1016-I1018 VanDerWaalsContact C-N 3.33Å; N1016-I1018 PolarHBondContact O-N 3.29Å; N1016-S1019 CarbonylContact O-C 3.53Å; N1016-S1019 WeakPolarHBondContact O-CA 3.25Å; N1016-S1019 WeakPolarHBondContact O-CB 3.44Å; N1016-S1019 PolarHBondContact O-N 3.47Å; N1016-D1020 PolarHBondContact O-N 3.16Å
1017	S	85.7	Confident	69.5	Low	72 Å²	72	66.9 Å²	66.9	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-58.6	-43.4	177.4	176.7	0	0	0	0	111.9	A1013 L1014 S1019 D1020 T1021	A1013-S1017 VanDerWaalsContact O-CB 3.32Å; A1013-S1017 WeakPolarHBondContact O-CB 3.5Å; A1013-S1017 PolarHBondContact O-N 2.9Å; L1014-S1017 PolarHBondContact O-N 3.23Å; S1017-S1019 VanDerWaalsContact C-N 3.3Å; S1017-S1019 PolarHBondContact O-N 2.69Å; S1017-D1020 PolarHBondContact O-N 3.47Å; S1017-D1020 VanDerWaalsContact O-N 3.11Å; S1017-T1021 PolarHBondContact O-N 3.04Å; S1017-T1021 VanDerWaalsContact O-N 3.12Å
1018	I	85	Confident	67.7	Low	16 Å²	16	67.8 Å²	67.8	8%	0.082	39%	0.389	C	S	.	.	H	α-helix	trans	-59.9	-42.1	174.5	-66.2	162.7	0	0	0	110.5	H887 P974 H999 L1014 N1016 D1020 T1021	H887-I1018 WeakPolarHBondContact NE2-CG2 3.44Å; P974-I1018 HydrophobicContact CB-CG2 3.57Å; P974-I1018 HydrophobicContact CG-CG2 3.6Å; H999-I1018 HydrophobicContact CB-CD1 4.25Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.48Å; L1014-I1018 VanDerWaalsContact O-CG1 3.24Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.46Å; L1014-I1018 PolarHBondContact O-N 3.37Å; N1016-I1018 VanDerWaalsContact C-N 3.33Å; N1016-I1018 PolarHBondContact O-N 3.29Å; I1018-D1020 VanDerWaalsContact C-N 3.33Å; I1018-D1020 PolarHBondContact O-N 3.29Å; I1018-T1021 PolarHBondContact O-OG1 3.18Å
1019	S	81.6	Confident	65.8	Low	0 Å²	0	74.3 Å²	74.3	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-69.8	-20.3	175.6	179.3	0	0	0	0	115.3	T886 L1015 N1016 S1017 T1022	T886-S1019 PolarHBondContact OG1-OG 3.06Å; L1015-S1019 PolarHBondContact O-N 3.47Å; L1015-S1019 VanDerWaalsContact O-N 3.11Å; N1016-S1019 CarbonylContact O-C 3.53Å; N1016-S1019 WeakPolarHBondContact O-CA 3.25Å; N1016-S1019 WeakPolarHBondContact O-CB 3.44Å; N1016-S1019 PolarHBondContact O-N 3.47Å; S1017-S1019 VanDerWaalsContact C-N 3.3Å; S1017-S1019 PolarHBondContact O-N 2.69Å; S1019-T1022 PolarHBondContact O-OG1 3.18Å
1020	D	77.1	Confident	63.6	Low	57 Å²	57	75 Å²	75	31%	0.305	43%	0.425	S	S	.	.	H	α-helix	trans	-96.5	-22.8	-176	-70.5	-22.7	0	0	0	112.8	N908 N1016 S1017 I1018 T1022 K1023	N908-D1020 PolarHBondContact ND2-OD1 3.37Å; N908-D1020 PolarHBondContact ND2-OD2 3.04Å; N1016-D1020 PolarHBondContact O-N 3.16Å; S1017-D1020 PolarHBondContact O-N 3.47Å; S1017-D1020 VanDerWaalsContact O-N 3.11Å; I1018-D1020 VanDerWaalsContact C-N 3.33Å; I1018-D1020 PolarHBondContact O-N 3.29Å; D1020-T1022 PolarHBondContact O-N 3.28Å; D1020-K1023 PolarHBondContact O-N 2.94Å; D1020-K1023 WeakPolarHBondContact OD1-CD 3.5Å; D1020-K1023 WeakPolarHBondContact OD1-CE 3.37Å; D1020-K1023 IonicContact OD1-NZ 2.71Å; D1020-K1023 PolarHBondContact OD1-NZ 3.09Å
1021	T	65.9	Low	61.4	Low	91 Å²	91	78.9 Å²	78.9	56%	0.558	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.8	169	56.2	0	0	0	0	114.1	S1017 I1018	S1017-T1021 PolarHBondContact O-N 3.04Å; S1017-T1021 VanDerWaalsContact O-N 3.12Å; I1018-T1021 PolarHBondContact O-OG1 3.18Å
1022	T	56.8	Low	58.8	Low	43 Å²	43	82.5 Å²	82.5	26%	0.264	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.3	171.9	70.6	0	0	0	0	114.2	T886 Q972 P974 S1019 D1020	T886-T1022 WeakPolarHBondContact CB-OG1 3.49Å; Q972-T1022 WeakPolarHBondContact O-CG2 3.45Å; P974-T1022 HydrophobicContact CG-CG2 4.09Å; S1019-T1022 PolarHBondContact O-OG1 3.18Å; D1020-T1022 PolarHBondContact O-N 3.28Å
1023	K	50.3	Low	56.3	Low	76 Å²	76	86.9 Å²	86.9	33%	0.33	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-22.2	-174.1	-63	177	-169.5	156.2	0	113.6	T886 Q909 D1020 C1025 D1026	T886-K1023 HydrophobicContact CG2-CG 4.45Å; Q909-K1023 PolarHBondContact O-NZ 2.93Å; D1020-K1023 PolarHBondContact O-N 2.94Å; D1020-K1023 WeakPolarHBondContact OD1-CD 3.5Å; D1020-K1023 WeakPolarHBondContact OD1-CE 3.37Å; D1020-K1023 IonicContact OD1-NZ 2.71Å; D1020-K1023 PolarHBondContact OD1-NZ 3.09Å; K1023-C1025 PolarHBondContact O-N 3.45Å; K1023-D1026 PolarHBondContact O-N 3.33Å
1024	E	41	Very low	53.7	Low	161 Å²	161	93.8 Å²	93.8	75%	0.752	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	1	-177.6	-65	-173.1	147.9	0	0	114.5
1025	C	37.2	Very low	51	Low	115 Å²	115	98.3 Å²	98.3	78%	0.777	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-14.3	174.8	-68.7	0	0	0	0	115.2	K1023	K1023-C1025 PolarHBondContact O-N 3.45Å
1026	D	35.7	Very low	48.1	Very low	153 Å²	153	104.9 Å²	104.9	82%	0.818	60%	0.602	S	S	*	*	S	Bend	trans	-115.8	7.2	-166.4	-80.4	-36	0	0	0	115.9	K1023	K1023-D1026 PolarHBondContact O-N 3.33Å
1027	S	33	Very low	45.7	Very low	101 Å²	101	109 Å²	109	71%	0.706	63%	0.633	S	S	*	*			trans	-156.4	120	175.1	64.2	0	0	0	0	116.6
1028	D	38.4	Very low	43	Very low	163 Å²	163	113.4 Å²	113.4	87%	0.872	65%	0.649	S	S	*	*			trans	-76.5	127.4	158.1	-80.7	-51.6	0	0	0	110.8
1029	D	35.5	Very low	40.5	Very low	149 Å²	149	116.1 Å²	116.1	80%	0.797	68%	0.681	S	S	*	*				175.6	99.7	119.3	-112.5	-33.4	0	0	0	114.3
1030	N	31.5	Very low	37.9	Very low	127 Å²	127	123.9 Å²	123.9	68%	0.679	72%	0.717	S	S	*	*				65.9	139.2	129.3	-141.6	-4.5	0	0	0	124.5
1031	M	33.5	Very low	35.7	Very low	173 Å²	173	130.3 Å²	130.3	85%	0.852	75%	0.745	S	S	*	*			trans	64.6	131.8	164.5	-64.9	-62.4	167.7	0	0	121
1032	G	26.9	Very low	33.9	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	76%	0.757	S	S	*	*			trans	175	-12.1	162.8	0	0	0	0	0	122.8
1033	A	28.7	Very low	32.9	Very low	96 Å²	96	138.8 Å²	138.8	79%	0.793	78%	0.776	S	S	*	*			trans	15	117.6	173.9	0	0	0	0	0	121.3
1034	K	27.1	Very low	32.3	Very low	207 Å²	207	137.6 Å²	137.6	90%	0.9	78%	0.777	S	S	*	*				-171.4	137.3	125.1	-107.5	163.8	-172.4	175.6	0	114.3
1035	N	28.7	Very low	32.2	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	77%	0.774	S	S	*	*			trans	-75.8	144.9	169.3	-58.1	-4.4	0	0	0	110.8
1036	T	23.6	Very low	32.5	Very low	138 Å²	138	135.1 Å²	135.1	85%	0.847	76%	0.762	S	S	*	*			trans	-140.2	116.3	147.7	-59.5	0	0	0	0	108.3
1037	S	37.2	Very low	32.8	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	75%	0.747	S	S	*	*			trans	-91.9	124	178.8	53.7	0	0	0	0	111.4
1038	I	27.8	Very low	33.4	Very low	164 Å²	164	131.4 Å²	131.4	84%	0.841	74%	0.737	S	S	*	*			trans	-132.4	131.7	152	-77	168.3	0	0	0	105.8
1039	G	33.1	Very low	33.7	Very low	73 Å²	73	130.5 Å²	130.5	75%	0.753	73%	0.727	S	S	*	*			trans	-137.7	130.1	173.8	0	0	0	0	0	109.4
1040	E	27.4	Very low	34.2	Very low	164 Å²	164	128 Å²	128	77%	0.766	71%	0.714	S	S	*	*			trans	-137.5	108.1	167.9	-82.4	-175.7	161.8	0	0	107.5	F1042	E1040-F1042 PolarHBondContact O-N 3.17Å
1041	E	30	Very low	34.6	Very low	192 Å²	192	129 Å²	129	90%	0.897	71%	0.714	S	S	*	*			trans	-76.4	112	174.1	-69.3	-174.3	124.3	0	0	109.4	I1043	E1041-I1043 VanDerWaalsContact C-N 3.33Å; E1041-I1043 PolarHBondContact O-N 2.8Å
1042	F	28.4	Very low	35.1	Very low	184 Å²	184	123.3 Å²	123.3	81%	0.807	69%	0.685	S	S	*	*			trans	-71.5	85.8	173.9	-93.2	-93.6	0	0	0	111.2	E1040	E1040-F1042 PolarHBondContact O-N 3.17Å
1043	I	36.7	Very low	35.7	Very low	128 Å²	128	122.1 Å²	122.1	66%	0.656	67%	0.668	S	S	*	*			trans	-61.6	131.5	156.2	-60.1	177.6	0	0	0	107.4	E1041 V1048	E1041-I1043 VanDerWaalsContact C-N 3.33Å; E1041-I1043 PolarHBondContact O-N 2.8Å; I1043-V1048 HydrophobicContact CG2-CG2 3.89Å
1044	S	36.8	Very low	36.5	Very low	51 Å²	51	120.6 Å²	120.6	36%	0.357	65%	0.646	S	S	.	*			trans	-70.3	138.1	-176.2	104.4	0	0	0	0	111.3	E1046 D1047 V1048	S1044-E1046 PolarHBondContact O-N 3.48Å; S1044-D1047 WeakPolarHBondContact CB-OD2 3.29Å; S1044-D1047 PolarHBondContact O-N 3.3Å; S1044-D1047 VanDerWaalsContact OG-CG 3.26Å; S1044-D1047 PolarHBondContact OG-N 2.89Å; S1044-D1047 VanDerWaalsContact OG-N 3.11Å; S1044-D1047 PolarHBondContact OG-OD2 2.88Å; S1044-V1048 PolarHBondContact O-N 3.17Å
1045	T	39	Very low	37.3	Very low	112 Å²	112	115.9 Å²	115.9	69%	0.687	62%	0.622	S	S	*	*	H	α-helix	trans	-66.5	-27.1	176.8	46.8	0	0	0	0	112.3	E1049	T1045-E1049 WeakPolarHBondContact O-CB 3.24Å; T1045-E1049 WeakPolarHBondContact O-CG 3.28Å; T1045-E1049 PolarHBondContact O-N 3.48Å
1046	E	43.3	Very low	38	Very low	112 Å²	112	115.7 Å²	115.7	52%	0.523	61%	0.61	S	S	.	*	H	α-helix	trans	-69.2	-34.6	174.8	-73	-155.1	109.9	0	0	112.6	R335 S1044 L1050	R335-E1046 IonicContact NH2-OE1 2.77Å; R335-E1046 PolarHBondContact NH2-OE1 3.26Å; S1044-E1046 PolarHBondContact O-N 3.48Å; E1046-L1050 WeakPolarHBondContact O-CB 3.33Å; E1046-L1050 PolarHBondContact O-N 2.88Å
1047	D	42.8	Very low	38.8	Very low	92 Å²	92	113.6 Å²	113.6	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-68.4	-43.8	175.6	-67.1	-59.6	0	0	0	110.7	S1044 L1050 E1051	S1044-D1047 WeakPolarHBondContact CB-OD2 3.29Å; S1044-D1047 PolarHBondContact O-N 3.3Å; S1044-D1047 VanDerWaalsContact OG-CG 3.26Å; S1044-D1047 PolarHBondContact OG-N 2.89Å; S1044-D1047 VanDerWaalsContact OG-N 3.11Å; S1044-D1047 PolarHBondContact OG-OD2 2.88Å; D1047-L1050 PolarHBondContact O-N 3.44Å; D1047-E1051 PolarHBondContact O-N 3.21Å
1048	V	44.6	Very low	38.9	Very low	83 Å²	83	113.7 Å²	113.7	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-42.6	176.6	-179.6	0	0	0	0	111.6	I1043 S1044 L1050 E1052	I1043-V1048 HydrophobicContact CG2-CG2 3.89Å; S1044-V1048 PolarHBondContact O-N 3.17Å; V1048-L1050 VanDerWaalsContact C-N 3.33Å; V1048-L1050 PolarHBondContact O-N 2.95Å; V1048-E1052 WeakPolarHBondContact O-CB 3.39Å; V1048-E1052 PolarHBondContact O-N 3.23Å
1049	E	46.3	Very low	39.2	Very low	144 Å²	144	111.6 Å²	111.6	67%	0.673	58%	0.578	S	S	*	*	H	α-helix	trans	-67.3	-31.9	175	-76.3	-168.4	176.5	0	0	112.8	T1045 A1053	T1045-E1049 WeakPolarHBondContact O-CB 3.24Å; T1045-E1049 WeakPolarHBondContact O-CG 3.28Å; T1045-E1049 PolarHBondContact O-N 3.48Å; E1049-A1053 VanDerWaalsContact O-CB 3.26Å; E1049-A1053 WeakPolarHBondContact O-CB 3.43Å; E1049-A1053 PolarHBondContact O-N 2.95Å
1050	L	44.3	Very low	39.4	Very low	97 Å²	97	117 Å²	117	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-71.7	-44.2	176	-177.7	60.4	0	0	0	111.7	E1046 D1047 V1048 A1053 I1054	E1046-L1050 WeakPolarHBondContact O-CB 3.33Å; E1046-L1050 PolarHBondContact O-N 2.88Å; D1047-L1050 PolarHBondContact O-N 3.44Å; V1048-L1050 VanDerWaalsContact C-N 3.33Å; V1048-L1050 PolarHBondContact O-N 2.95Å; L1050-A1053 PolarHBondContact O-N 3.04Å; L1050-I1054 HydrophobicContact CD1-CD1 4.14Å; L1050-I1054 HydrophobicContact CG-CD1 4.06Å; L1050-I1054 WeakPolarHBondContact O-CB 3.31Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.49Å; L1050-I1054 PolarHBondContact O-N 3.08Å
1051	E	41.3	Very low	39.8	Very low	149 Å²	149	120.1 Å²	120.1	70%	0.696	60%	0.601	S	S	*	*	H	α-helix	trans	-63.4	-41.4	173.1	-71.9	-163	149.4	0	0	111.6	D1047 A1053 I1054 R1055	D1047-E1051 PolarHBondContact O-N 3.21Å; E1051-A1053 PolarHBondContact O-N 3.2Å; E1051-I1054 PolarHBondContact O-N 3.01Å; E1051-R1055 VanDerWaalsContact O-CB 3.25Å; E1051-R1055 WeakPolarHBondContact O-CB 3.47Å; E1051-R1055 PolarHBondContact O-N 3.35Å
1052	E	42.6	Very low	40.3	Very low	52 Å²	52	116.6 Å²	116.6	24%	0.243	59%	0.587	C	S	.	*	H	α-helix	trans	-63.9	-38.9	176	-179.4	65.4	-176.8	0	0	112.3	V1048 R1055 R1056	V1048-E1052 WeakPolarHBondContact O-CB 3.39Å; V1048-E1052 PolarHBondContact O-N 3.23Å; E1052-R1055 IonicContact OE1-CZ 3.89Å; E1052-R1055 IonicContact OE1-NH2 2.86Å; E1052-R1055 PolarHBondContact OE1-NH2 2.83Å; E1052-R1055 IonicContact OE2-CZ 3.22Å; E1052-R1055 IonicContact OE2-NE 2.88Å; E1052-R1055 PolarHBondContact OE2-NE 3.46Å; E1052-R1055 IonicContact OE2-NH2 2.74Å; E1052-R1055 PolarHBondContact OE2-NH2 3.03Å; E1052-R1056 WeakPolarHBondContact O-CB 3.36Å; E1052-R1056 VanDerWaalsContact O-CG 3.28Å; E1052-R1056 WeakPolarHBondContact O-CG 3.28Å; E1052-R1056 PolarHBondContact O-N 2.89Å; E1052-R1056 IonicContact OE1-CZ 2.86Å; E1052-R1056 IonicContact OE1-NE 2.8Å; E1052-R1056 PolarHBondContact OE1-NE 3.42Å; E1052-R1056 IonicContact OE1-NH2 3.85Å; E1052-R1056 PolarHBondContact OE1-NH2 2.99Å
1053	A	41	Very low	40.9	Very low	53 Å²	53	113 Å²	113	44%	0.438	58%	0.575	S	S	.	*	H	α-helix	trans	-68.7	-38.5	174.8	0	0	0	0	0	112.6	E1049 L1050 E1051 S1057	E1049-A1053 VanDerWaalsContact O-CB 3.26Å; E1049-A1053 WeakPolarHBondContact O-CB 3.43Å; E1049-A1053 PolarHBondContact O-N 2.95Å; L1050-A1053 PolarHBondContact O-N 3.04Å; E1051-A1053 PolarHBondContact O-N 3.2Å; A1053-S1057 WeakPolarHBondContact O-CB 3.2Å; A1053-S1057 PolarHBondContact O-N 3.04Å; A1053-S1057 VanDerWaalsContact O-N 3.16Å; A1053-S1057 PolarHBondContact O-OG 2.94Å
1054	I	43.8	Very low	41.1	Very low	64 Å²	64	112.2 Å²	112.2	33%	0.328	57%	0.571	S	S	.	*	H	α-helix	trans	-67.7	-43.2	174.4	-70.3	166.5	0	0	0	110.2	L1050 E1051 S1057 L1058	L1050-I1054 HydrophobicContact CD1-CD1 4.14Å; L1050-I1054 HydrophobicContact CG-CD1 4.06Å; L1050-I1054 WeakPolarHBondContact O-CB 3.31Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.49Å; L1050-I1054 PolarHBondContact O-N 3.08Å; E1051-I1054 PolarHBondContact O-N 3.01Å; I1054-S1057 WeakPolarHBondContact O-CB 3.28Å; I1054-S1057 PolarHBondContact O-N 3.48Å; I1054-S1057 VanDerWaalsContact O-N 3.13Å; I1054-L1058 HydrophobicContact CG2-CD1 4.06Å; I1054-L1058 WeakPolarHBondContact O-CG 3.48Å; I1054-L1058 PolarHBondContact O-N 3.46Å
1055	R	45.5	Very low	41.4	Very low	108 Å²	108	115.8 Å²	115.8	41%	0.408	58%	0.583	S	S	.	*	H	α-helix	trans	-59.1	-49.7	177.2	-173.3	179.2	71.7	78.9	-4.7	111.7	E1051 E1052 S1057 L1058 E1059	E1051-R1055 VanDerWaalsContact O-CB 3.25Å; E1051-R1055 WeakPolarHBondContact O-CB 3.47Å; E1051-R1055 PolarHBondContact O-N 3.35Å; E1052-R1055 IonicContact OE1-CZ 3.89Å; E1052-R1055 IonicContact OE1-NH2 2.86Å; E1052-R1055 PolarHBondContact OE1-NH2 2.83Å; E1052-R1055 IonicContact OE2-CZ 3.22Å; E1052-R1055 IonicContact OE2-NE 2.88Å; E1052-R1055 PolarHBondContact OE2-NE 3.46Å; E1052-R1055 IonicContact OE2-NH2 2.74Å; E1052-R1055 PolarHBondContact OE2-NH2 3.03Å; R1055-S1057 PolarHBondContact O-N 3.39Å; R1055-L1058 WeakPolarHBondContact O-CB 3.44Å; R1055-L1058 PolarHBondContact O-N 2.9Å; R1055-E1059 WeakPolarHBondContact CG-OE1 3.22Å; R1055-E1059 IonicContact CZ-OE1 3.75Å; R1055-E1059 VanDerWaalsContact NH1-CD 3.25Å; R1055-E1059 IonicContact NH1-OE1 2.68Å; R1055-E1059 PolarHBondContact NH1-OE1 2.64Å; R1055-E1059 IonicContact NH1-OE2 3.05Å; R1055-E1059 PolarHBondContact NH1-OE2 3.25Å; R1055-E1059 PolarHBondContact O-N 3.34Å
1056	R	43.1	Very low	41.5	Very low	156 Å²	156	116 Å²	116	59%	0.589	58%	0.577	S	S	*	*	H	α-helix	trans	-62.2	-29	175.7	-69.3	174	-171.2	-168.9	7.2	112.9	E1052 L1058	E1052-R1056 WeakPolarHBondContact O-CB 3.36Å; E1052-R1056 VanDerWaalsContact O-CG 3.28Å; E1052-R1056 WeakPolarHBondContact O-CG 3.28Å; E1052-R1056 PolarHBondContact O-N 2.89Å; E1052-R1056 IonicContact OE1-CZ 2.86Å; E1052-R1056 IonicContact OE1-NE 2.8Å; E1052-R1056 PolarHBondContact OE1-NE 3.42Å; E1052-R1056 IonicContact OE1-NH2 3.85Å; E1052-R1056 PolarHBondContact OE1-NH2 2.99Å; R1056-L1058 VanDerWaalsContact C-N 3.26Å; R1056-L1058 PolarHBondContact O-N 3.28Å
1057	S	41	Very low	41.4	Very low	93 Å²	93	116.3 Å²	116.3	65%	0.65	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-10.3	174.1	-55.1	0	0	0	0	113.9	A1053 I1054 R1055	A1053-S1057 WeakPolarHBondContact O-CB 3.2Å; A1053-S1057 PolarHBondContact O-N 3.04Å; A1053-S1057 VanDerWaalsContact O-N 3.16Å; A1053-S1057 PolarHBondContact O-OG 2.94Å; I1054-S1057 WeakPolarHBondContact O-CB 3.28Å; I1054-S1057 PolarHBondContact O-N 3.48Å; I1054-S1057 VanDerWaalsContact O-N 3.13Å; R1055-S1057 PolarHBondContact O-N 3.39Å
1058	L	37.3	Very low	41.3	Very low	116 Å²	116	118 Å²	118	61%	0.607	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-7.8	177.7	-69.2	167.6	0	0	0	113.1	I1054 R1055 R1056	I1054-L1058 HydrophobicContact CG2-CD1 4.06Å; I1054-L1058 WeakPolarHBondContact O-CG 3.48Å; I1054-L1058 PolarHBondContact O-N 3.46Å; R1055-L1058 WeakPolarHBondContact O-CB 3.44Å; R1055-L1058 PolarHBondContact O-N 2.9Å; R1056-L1058 VanDerWaalsContact C-N 3.26Å; R1056-L1058 PolarHBondContact O-N 3.28Å
1059	E	35.3	Very low	41.1	Very low	121 Å²	121	120.7 Å²	120.7	57%	0.565	59%	0.593	S	S	*	*	S	Bend	trans	-94.3	0.6	-178.3	-73.7	171	-174.6	0	0	113.4	R1055	R1055-E1059 WeakPolarHBondContact CG-OE1 3.22Å; R1055-E1059 IonicContact CZ-OE1 3.75Å; R1055-E1059 VanDerWaalsContact NH1-CD 3.25Å; R1055-E1059 IonicContact NH1-OE1 2.68Å; R1055-E1059 PolarHBondContact NH1-OE1 2.64Å; R1055-E1059 IonicContact NH1-OE2 3.05Å; R1055-E1059 PolarHBondContact NH1-OE2 3.25Å; R1055-E1059 PolarHBondContact O-N 3.34Å
1060	E	36.5	Very low	40.7	Very low	185 Å²	185	118.8 Å²	118.8	86%	0.864	59%	0.586	S	S	*	*			trans	-115.8	41.8	175.6	-64.9	-164.7	143.3	0	0	113.8
1061	M	36.3	Very low	40.3	Very low	231 Å²	231	120.7 Å²	120.7	100%	1.138	59%	0.593	S	S	*	*			trans	-131.8	0	168	-89.4	-166.2	-68.1	0	0	113

Retrieved 1,061 of 1,061 residues in 1486.7 ms (Link to these results)

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