A0A096LYB5_POEFO Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A096LYB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,031 aa.

						>A0A096LYB5_POEFO|A0A096LYB5
MSLLRACSLAKCLGRRSLADVRRCFADRCQLCVSVRSAAVRRISETPLYLQRRNISSVIPKSEDAKKRVHEQSQLLDVLEARIQQLQSDVVLDVQHAKVQFLKSPSFRGGLSSVRTLKGSSKDKSDIPKSGQAVTKRASKSQPSRWMEKLSEEKKNKLKKQQILQQKMQRNPKEKLPGKSKASRSSLMPTSTTYKTISSTAKKRRGGTKLSDEIRPSVSSAAAVTTAATSSKAAEALKTSKQKRRDSKSKVSDKDATNKPEDGDLAEIEELEKRLNEQAQQRICLSTMERFQESSTRSSCADIQLSIRCYLEACVFMGDVERSQRFLLSQHRVMSRRKQLTTDIYNIMMRVWAKKGTLNQIGRIFILLEEAGLKPNVSSYSAALECMGRNKNCPPKVISRCLDQMKKDGLSVDDLFRECVFRQDERDMLLKAVQTVRPDYEPSLTLNASQSSSPLVKDFYTNRDHHTYPKLDFTQEDLQRRFQHQLSVEQACTVTIDSVEAMKPVTENMVKMRELLAEQRAQWQKVLLQALRENKMILTKTNTRDYKLNLYPYLCLLEDKEYVDIMIQSVSNLPPSGESLKILAHDLGNRIYTKYCVRQKHQNCIVEKLQSIYGAYTELLAKDTKVCNVLPREQWCKLEMEQSSGPTLQGAETSWPYVLMLELGTFIVDIMVKNLKINSDILNPAYDKKLIPILYHMYTFRSTRQVGFIKPHPILTQMQQEAMETTLTFDSSVMPMLCPPVPWTSEKFGAYLLTPAKLMRATHGATQHEELLEKCPNLHPVFDSLNQLSNCAWRVNKPILDIIISIFNDRGSDKLDIPPPLSEAPKIPHFNPQDPDYTASEKAHMKREVINAKKKCSEMHSLRMDALYKLSIAHHMRDKLFWFPHNMDFRGRTYPCPPYFNHLGSDVTRATLVFAEGKPLGPKGLDWLKIHLVNLTGLKKRSSLQGRLEYADSIMEDILDSADDPLNGKKWWMEADEPWQALACCMEIANAVRSPDPTKFVSHFPVHQVLRKKKKKTFKITCRHSNRCLKG
					

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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	41.2	Very low	36.1	Very low	71 Å²	71	88.7 Å²	88.7	35%	0.35	50%	0.5	S	S	.	.				0	-57.8	0	-53.4	-43	-78.6	0	0	114.7	L3 L4 E369 P375	M1-L3 PolarHBondContact O-N 3.18Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-E369 WeakPolarHBondContact CB-OE1 3.48Å; M1-P375 HydrophobicContact CE-CG 4.16Å
2	S	38.8	Very low	35.5	Very low	90 Å²	90	90.2 Å²	90.2	63%	0.629	52%	0.518	S	S	*	.	H	α-helix	trans	-45.3	-35.4	-177	52.3	0	0	0	0	115.8	L4 R5	S2-L4 VanDerWaalsContact C-N 3.33Å; S2-L4 PolarHBondContact O-N 3.19Å; S2-R5 WeakPolarHBondContact O-CB 3.44Å; S2-R5 PolarHBondContact O-N 3.25Å
3	L	37	Very low	35	Very low	97 Å²	97	96.2 Å²	96.2	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-22.5	-177.5	-70.4	163.2	0	0	0	115.7	M1 R400	M1-L3 PolarHBondContact O-N 3.18Å; L3-R400 PolarHBondContact O-NH1 3.15Å
4	L	37.3	Very low	34.4	Very low	42 Å²	42	94.4 Å²	94.4	22%	0.22	56%	0.56	C	S	.	*	H	α-helix	trans	-75.4	-32	176.1	-78.2	171.3	0	0	0	112.2	M1 S2 A6 C7	M1-L4 PolarHBondContact O-N 3.15Å; M1-L4 VanDerWaalsContact O-N 3.12Å; S2-L4 VanDerWaalsContact C-N 3.33Å; S2-L4 PolarHBondContact O-N 3.19Å; L4-A6 PolarHBondContact O-N 3.17Å; L4-C7 PolarHBondContact O-N 3.24Å
5	R	38	Very low	34	Very low	116 Å²	116	104.3 Å²	104.3	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-60.1	-29.9	178.2	-58.3	-177.1	-178.3	-166.3	-0.5	112.5	S2 C7 S8 L9 I366 E369	S2-R5 WeakPolarHBondContact O-CB 3.44Å; S2-R5 PolarHBondContact O-N 3.25Å; R5-C7 VanDerWaalsContact C-N 3.34Å; R5-C7 PolarHBondContact O-N 3.43Å; R5-S8 PolarHBondContact O-N 3.33Å; R5-S8 PolarHBondContact O-OG 2.98Å; R5-L9 PolarHBondContact O-N 2.9Å; R5-I366 HydrophobicContact CG-CD1 4.46Å; R5-I366 HydrophobicContact CG-CG1 4.45Å; R5-E369 IonicContact CZ-OE2 2.68Å; R5-E369 IonicContact NE-OE2 2.69Å; R5-E369 PolarHBondContact NE-OE2 2.81Å; R5-E369 IonicContact NH2-OE1 3.12Å; R5-E369 IonicContact NH2-OE2 3.59Å; R5-E369 PolarHBondContact NH2-OE2 3.38Å
6	A	38	Very low	33.7	Very low	57 Å²	57	112.7 Å²	112.7	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-60.8	-36.4	-178.8	0	0	0	0	0	113.5	L4 L9	L4-A6 PolarHBondContact O-N 3.17Å; A6-L9 PolarHBondContact O-N 3.12Å
7	C	38.1	Very low	33.3	Very low	58 Å²	58	112.7 Å²	112.7	39%	0.392	62%	0.615	S	S	.	*	H	α-helix	trans	-75.3	-23.8	179.6	-80.5	0	0	0	0	113.9	L4 R5 R400	L4-C7 PolarHBondContact O-N 3.24Å; R5-C7 VanDerWaalsContact C-N 3.34Å; R5-C7 PolarHBondContact O-N 3.43Å; C7-R400 PolarHBondContact SG-NH1 3.28Å; C7-R400 PolarHBondContact SG-NH2 3.12Å
8	S	33.9	Very low	33.1	Very low	50 Å²	50	116.2 Å²	116.2	35%	0.35	63%	0.631	S	S	.	*	H	α-helix	trans	-80.4	-15.9	175.1	41.4	0	0	0	0	114.3	R5	R5-S8 PolarHBondContact O-N 3.33Å; R5-S8 PolarHBondContact O-OG 2.98Å
9	L	31.8	Very low	32.8	Very low	105 Å²	105	115.3 Å²	115.3	55%	0.55	64%	0.642	S	S	.	*	H	α-helix	trans	-98.9	-18.4	-174.3	-77.2	163.9	0	0	0	114.4	R5 A6 K11 C12	R5-L9 PolarHBondContact O-N 2.9Å; A6-L9 PolarHBondContact O-N 3.12Å; L9-K11 PolarHBondContact O-N 3.47Å; L9-C12 PolarHBondContact O-N 3.2Å
10	A	30.6	Very low	32.5	Very low	86 Å²	86	117.3 Å²	117.3	71%	0.711	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	12.7	-170.5	0	0	0	0	0	116.8
11	K	32.5	Very low	32.1	Very low	204 Å²	204	118.4 Å²	118.4	89%	0.887	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	8.8	175.1	-76.9	-162.9	171.3	-171	0	115.1	L9	L9-K11 PolarHBondContact O-N 3.47Å
12	C	28.6	Very low	31.3	Very low	106 Å²	106	125.4 Å²	125.4	72%	0.716	68%	0.683	S	S	*	*			trans	-135.2	44.1	-175.6	-61.4	0	0	0	0	114.3	L9	L9-C12 PolarHBondContact O-N 3.2Å
13	L	28.9	Very low	30.7	Very low	168 Å²	168	132.3 Å²	132.3	88%	0.88	70%	0.695	S	S	*	*			trans	-121.1	98.6	167.2	-73.9	175.2	0	0	0	109.8
14	G	26.4	Very low	30	Very low	72 Å²	72	133 Å²	133	74%	0.742	71%	0.707	S	S	*	*			trans	-148.8	74.2	-171.9	0	0	0	0	0	113.4
15	R	29.6	Very low	29.4	Very low	242 Å²	242	140.3 Å²	140.3	91%	0.913	74%	0.737	S	S	*	*			trans	71.7	146.1	167.4	-62.8	-177.9	162.7	-165.3	-6.5	119.2
16	R	28.7	Very low	28.9	Very low	239 Å²	239	139 Å²	139	90%	0.902	75%	0.752	S	S	*	*			trans	69.7	139.8	167.3	-62.2	175.3	179.3	171.4	-1.5	117.4
17	S	27.5	Very low	28.3	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	77%	0.77	S	S	*	*			cis	-164.6	164.7	-24.3	41.8	0	0	0	0	109.9
18	L	29.4	Very low	27.8	Very low	175 Å²	175	152 Å²	152	92%	0.916	79%	0.792	S	S	*	*			trans	-64.2	144	178	-68.3	150	0	0	0	113.5
19	A	26.2	Very low	27.4	Very low	100 Å²	100	155.4 Å²	155.4	83%	0.826	82%	0.815	S	S	*	*			trans	-166	154.2	149.8	0	0	0	0	0	109.5
20	D	26.7	Very low	27.1	Very low	155 Å²	155	159.2 Å²	159.2	83%	0.829	83%	0.83	S	S	*	*			trans	-106.6	179.8	-163.2	-93	-68.3	0	0	0	116.3
21	V	25.7	Very low	27	Very low	141 Å²	141	162.6 Å²	162.6	86%	0.855	84%	0.835	S	S	*	*			trans	116.4	137.7	147.4	-174.2	0	0	0	0	117.1
22	R	24.6	Very low	26.7	Very low	218 Å²	218	158.7 Å²	158.7	82%	0.823	83%	0.832	S	S	*	*			trans	-97.7	150.5	-177.7	-67.9	165.1	157.9	172.6	-6.4	112.4
23	R	24.6	Very low	26.7	Very low	235 Å²	235	160.4 Å²	160.4	89%	0.887	84%	0.839	S	S	*	*			trans	64.4	166	154.4	-73.6	176.9	174.8	173.3	-3.5	114.4
24	C	23.3	Very low	26.6	Very low	112 Å²	112	157.3 Å²	157.3	76%	0.757	83%	0.831	S	S	*	*			cis	-137.3	-159.2	10.4	-147.1	0	0	0	0	113.7
25	F	24.9	Very low	26.5	Very low	194 Å²	194	160.1 Å²	160.1	85%	0.851	83%	0.834	S	S	*	*			trans	-77.4	151.8	-174.6	-91.2	-109.6	0	0	0	114.6
26	A	27	Very low	26.3	Very low	90 Å²	90	160.4 Å²	160.4	74%	0.744	84%	0.835	S	S	*	*			trans	36.3	133.4	143.1	0	0	0	0	0	121.2
27	D	24.9	Very low	26.2	Very low	159 Å²	159	154.7 Å²	154.7	85%	0.85	83%	0.832	S	S	*	*				-146.5	171.6	122.4	-142.1	-24.4	0	0	0	112.7
28	R	27.6	Very low	26	Very low	228 Å²	228	154.5 Å²	154.5	86%	0.86	84%	0.837	S	S	*	*			trans	-86.5	150.4	175	-61.1	169.4	171.9	173.7	-2.1	110.6
29	C	25.1	Very low	25.8	Very low	121 Å²	121	150.9 Å²	150.9	82%	0.818	83%	0.832	S	S	*	*			trans	-141.9	133.9	148.7	-163.1	0	0	0	0	110.2
30	Q	27.4	Very low	25.7	Very low	186 Å²	186	152.5 Å²	152.5	87%	0.869	83%	0.832	S	S	*	*			trans	-96.2	130.5	170.3	-63.2	164.8	-85.1	0	0	108
31	L	27.1	Very low	25.6	Very low	157 Å²	157	156.5 Å²	156.5	82%	0.822	84%	0.835	S	S	*	*			trans	-159	112.7	153.4	-108.6	161.6	0	0	0	109.1
32	C	26.5	Very low	25.5	Very low	121 Å²	121	160.5 Å²	160.5	82%	0.818	84%	0.835	S	S	*	*			trans	-146.7	158	176.2	-80.6	0	0	0	0	107.1
33	V	27.9	Very low	25.6	Very low	142 Å²	142	157.8 Å²	157.8	86%	0.861	84%	0.835	S	S	*	*			trans	77.2	130.2	-158.2	-174.7	0	0	0	0	110.4
34	S	27.2	Very low	25.7	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	83%	0.826	S	S	*	*			cis	-119.1	178.9	-1.1	71.1	0	0	0	0	110.1
35	V	25.8	Very low	25.8	Very low	130 Å²	130	155.1 Å²	155.1	79%	0.788	83%	0.832	S	S	*	*				-144.8	151.4	50.8	166.6	0	0	0	0	110.7
36	R	25.2	Very low	26	Very low	248 Å²	248	150.4 Å²	150.4	94%	0.936	82%	0.82	S	S	*	*			trans	-88.1	134	166.5	-72.4	176.2	172	170.4	-3	110.5
37	S	24.8	Very low	26	Very low	120 Å²	120	151.3 Å²	151.3	84%	0.839	82%	0.818	S	S	*	*			trans	-133.1	148.8	153.4	60.5	0	0	0	0	109.5
38	A	23.9	Very low	26.4	Very low	109 Å²	109	149.1 Å²	149.1	90%	0.901	81%	0.806	S	S	*	*			trans	-94.3	136.7	-169.1	0	0	0	0	0	112.1
39	A	24.5	Very low	26.5	Very low	99 Å²	99	148.5 Å²	148.5	82%	0.818	81%	0.805	S	S	*	*			trans	-136.1	134.8	170.9	0	0	0	0	0	110.8
40	V	25.2	Very low	26.6	Very low	134 Å²	134	149.4 Å²	149.4	81%	0.812	80%	0.801	S	S	*	*			trans	-60.2	131.4	-173.1	176.3	0	0	0	0	112.2	R42	V40-R42 PolarHBondContact O-N 2.94Å
41	R	23.9	Very low	26.9	Very low	238 Å²	238	144.5 Å²	144.5	90%	0.898	78%	0.778	S	S	*	*			trans	-67.6	100.2	170.6	-74.8	-177.7	174.9	172.9	-2	111
42	R	24	Very low	27.1	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	76%	0.763	S	S	*	*			trans	-86.7	107.5	156.8	-73.5	-170.1	-179.7	-173.3	1.5	109.5	V40 S44	V40-R42 PolarHBondContact O-N 2.94Å; R42-S44 PolarHBondContact O-N 3.45Å
43	I	27.1	Very low	27.2	Very low	160 Å²	160	146.7 Å²	146.7	82%	0.821	76%	0.758	S	S	*	*			trans	-68.2	121.1	173.3	-60	173.4	0	0	0	108.3
44	S	27.2	Very low	27.3	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	75%	0.745	S	S	*	*			trans	-150.1	36	179.2	48.6	0	0	0	0	112.4	R42 T46	R42-S44 PolarHBondContact O-N 3.45Å; S44-T46 PolarHBondContact O-N 2.94Å
45	E	23.8	Very low	27.5	Very low	190 Å²	190	147 Å²	147	89%	0.888	75%	0.745	S	S	*	*			trans	-69.3	118.5	172.3	-63.7	-170.4	156	0	0	110.2
46	T	29.7	Very low	27.5	Very low	95 Å²	95	145 Å²	145	58%	0.583	74%	0.737	S	S	*	*			trans	-95.4	147.6	178.8	20.7	0	0	0	0	111.3	S44 L48	S44-T46 PolarHBondContact O-N 2.94Å; T46-L48 PolarHBondContact O-N 2.95Å
47	P	27.1	Very low	27.6	Very low	109 Å²	109	138.1 Å²	138.1	71%	0.708	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	1.8	-166.7	-24.5	36	0	0	0	117.9	Y49 L50	P47-Y49 PolarHBondContact O-N 3.03Å; P47-L50 PolarHBondContact O-N 3.08Å
48	L	33.2	Very low	27.9	Very low	114 Å²	114	138.1 Å²	138.1	60%	0.597	72%	0.722	S	S	*	*	H	α-helix	trans	-61.9	-17.1	-171.6	-74.2	166	0	0	0	114.7	T46	T46-L48 PolarHBondContact O-N 2.95Å
49	Y	29.5	Very low	28.3	Very low	215 Å²	215	138 Å²	138	84%	0.843	71%	0.705	S	S	*	*	H	α-helix	trans	-78.9	-25	-178.1	-105.2	-83	0	0	0	115	P47	P47-Y49 PolarHBondContact O-N 3.03Å
50	L	28.1	Very low	28.5	Very low	140 Å²	140	138.8 Å²	138.8	73%	0.733	70%	0.702	S	S	*	*	H	α-helix	trans	-85.8	-41.8	-173.8	-80.5	166	0	0	0	113.5	P47 R52 R53	P47-L50 PolarHBondContact O-N 3.08Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 2.88Å; L50-R53 PolarHBondContact O-N 2.78Å
51	Q	32.9	Very low	28.8	Very low	82 Å²	82	141.3 Å²	141.3	38%	0.383	70%	0.702	S	S	.	*	H	α-helix	trans	-64.3	-29.1	-177.3	-75.9	-177	-33.1	0	0	113.5	R53 N54 Y698	Q51-R53 PolarHBondContact O-N 3.16Å; Q51-N54 PolarHBondContact O-N 3.11Å; Q51-Y698 PolarHBondContact NE2-OH 3.2Å
52	R	32.3	Very low	29.6	Very low	133 Å²	133	135 Å²	135	50%	0.502	69%	0.694	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-13.9	-174.1	-136.7	173.3	-169.3	-125	-1.1	114.2	L50 E662	L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 2.88Å; R52-E662 IonicContact CZ-OE1 2.68Å; R52-E662 IonicContact NE-OE1 2.74Å; R52-E662 PolarHBondContact NE-OE1 3.41Å; R52-E662 IonicContact NH2-OE1 3.88Å; R52-E662 PolarHBondContact NH2-OE1 2.93Å; R52-E662 IonicContact NH2-OE2 2.68Å
53	R	27.7	Very low	30.2	Very low	191 Å²	191	129.5 Å²	129.5	72%	0.721	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-26.8	169.5	-84.6	-174.4	169.5	-180	-2.4	113.7	L50 Q51 S56	L50-R53 PolarHBondContact O-N 2.78Å; Q51-R53 PolarHBondContact O-N 3.16Å; R53-S56 PolarHBondContact O-OG 3.21Å; R53-S56 VanDerWaalsContact O-OG 3.1Å
54	N	30.8	Very low	31	Very low	110 Å²	110	126.2 Å²	126.2	59%	0.588	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-18.2	-170.5	-68.6	-2.2	0	0	0	113.2	Q51 S57	Q51-N54 PolarHBondContact O-N 3.11Å; N54-S57 PolarHBondContact O-OG 3.21Å
55	I	30.3	Very low	31.5	Very low	142 Å²	142	125 Å²	125	73%	0.728	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-25.3	177.1	-61.2	177	0	0	0	111.6	S57	I55-S57 PolarHBondContact O-N 3.08Å
56	S	26	Very low	32.2	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	27.1	178.8	62.5	0	0	0	0	114.3	R53 V58	R53-S56 PolarHBondContact O-OG 3.21Å; R53-S56 VanDerWaalsContact O-OG 3.1Å; S56-V58 VanDerWaalsContact C-N 3.3Å; S56-V58 PolarHBondContact O-N 2.58Å
57	S	27.6	Very low	32.8	Very low	102 Å²	102	121.9 Å²	121.9	71%	0.713	63%	0.633	S	S	*	*			trans	-91.5	24.9	-174	54.2	0	0	0	0	114.3	N54 I55	N54-S57 PolarHBondContact O-OG 3.21Å; I55-S57 PolarHBondContact O-N 3.08Å
58	V	31.4	Very low	33.4	Very low	121 Å²	121	124.4 Å²	124.4	73%	0.733	63%	0.629	S	S	*	*	S	Bend	trans	-122	141.4	171.6	-175.8	0	0	0	0	108.1	S56	S56-V58 VanDerWaalsContact C-N 3.3Å; S56-V58 PolarHBondContact O-N 2.58Å
59	I	31.7	Very low	33.8	Very low	106 Å²	106	123.7 Å²	123.7	54%	0.544	63%	0.629	S	S	.	*	S	Bend	trans	73.3	105.7	-165.5	-48.8	172.1	0	0	0	112.7
60	P	28.1	Very low	34.2	Very low	116 Å²	116	118.9 Å²	118.9	75%	0.753	61%	0.614	S	S	*	*			trans	-75.3	145.1	171.8	31.9	-33.5	0	0	0	111.6
61	K	32.6	Very low	34.8	Very low	186 Å²	186	116.3 Å²	116.3	81%	0.809	60%	0.598	S	S	*	*			trans	-124.8	148.5	162.1	-68.7	-171.7	177.5	-175.9	0	109.1	E63	K61-E63 PolarHBondContact O-N 3.32Å
62	S	40.7	Very low	35.2	Very low	105 Å²	105	118.5 Å²	118.5	73%	0.734	61%	0.608	S	S	*	*	S	Bend	trans	-77.8	105.7	-163	52.6	0	0	0	0	114.5
63	E	36	Very low	35.8	Very low	112 Å²	112	114 Å²	114	52%	0.523	60%	0.598	S	S	.	*			trans	-146.2	48.6	159.7	-81.5	-143.5	148.7	0	0	111.1	K61 A65 K66 K67	K61-E63 PolarHBondContact O-N 3.32Å; E63-A65 PolarHBondContact O-N 3.24Å; E63-K66 PolarHBondContact O-N 3.3Å; E63-K66 IonicContact OE1-NZ 3.21Å; E63-K66 PolarHBondContact OE1-NZ 3.25Å; E63-K66 WeakPolarHBondContact OE2-CD 3.23Å; E63-K66 WeakPolarHBondContact OE2-CE 3.4Å; E63-K66 IonicContact OE2-NZ 2.72Å; E63-K66 PolarHBondContact OE2-NZ 3Å; E63-K67 WeakPolarHBondContact O-CB 3.46Å; E63-K67 PolarHBondContact O-N 3.34Å; E63-K67 VanDerWaalsContact O-N 3.13Å
64	D	43.8	Very low	36.8	Very low	91 Å²	91	110.2 Å²	110.2	49%	0.487	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.7	11.9	-167	-58.1	-53.4	0	0	0	116.4	R68	D64-R68 VanDerWaalsContact O-CZ 3.3Å; D64-R68 PolarHBondContact O-NE 3.02Å; D64-R68 PolarHBondContact O-NH2 3.13Å
65	A	37.2	Very low	37.6	Very low	74 Å²	74	109.8 Å²	109.8	61%	0.612	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-59.3	166.9	0	0	0	0	0	111	E63 K67	E63-A65 PolarHBondContact O-N 3.24Å; A65-K67 VanDerWaalsContact C-N 3.31Å; A65-K67 PolarHBondContact O-N 3.11Å
66	K	40.4	Very low	38.4	Very low	132 Å²	132	108.4 Å²	108.4	57%	0.574	58%	0.579	S	S	*	*	H	α-helix	trans	-64.9	-37.8	177.3	-56.9	-178.8	-152.2	145.8	0	111.1	E63 R68 V69 H70	E63-K66 PolarHBondContact O-N 3.3Å; E63-K66 IonicContact OE1-NZ 3.21Å; E63-K66 PolarHBondContact OE1-NZ 3.25Å; E63-K66 WeakPolarHBondContact OE2-CD 3.23Å; E63-K66 WeakPolarHBondContact OE2-CE 3.4Å; E63-K66 IonicContact OE2-NZ 2.72Å; E63-K66 PolarHBondContact OE2-NZ 3Å; K66-R68 VanDerWaalsContact C-N 3.34Å; K66-R68 PolarHBondContact O-N 3.26Å; K66-V69 PolarHBondContact O-N 2.88Å; K66-V69 VanDerWaalsContact O-N 3.16Å; K66-H70 PolarHBondContact O-N 2.74Å
67	K	42.1	Very low	39.6	Very low	89 Å²	89	108.4 Å²	108.4	39%	0.387	57%	0.571	S	S	.	*	H	α-helix	trans	-59.6	-40.5	-177.9	-163.4	169	178.7	-81.7	0	112.4	E63 A65 V69 H70 E71	E63-K67 WeakPolarHBondContact O-CB 3.46Å; E63-K67 PolarHBondContact O-N 3.34Å; E63-K67 VanDerWaalsContact O-N 3.13Å; A65-K67 VanDerWaalsContact C-N 3.31Å; A65-K67 PolarHBondContact O-N 3.11Å; K67-V69 PolarHBondContact O-N 2.8Å; K67-H70 PolarHBondContact O-N 2.89Å; K67-E71 HydrophobicContact CG-CG 4.36Å; K67-E71 IonicContact NZ-OE1 2.65Å; K67-E71 PolarHBondContact NZ-OE1 2.95Å; K67-E71 WeakPolarHBondContact O-CB 3.41Å; K67-E71 VanDerWaalsContact O-CG 3.26Å; K67-E71 WeakPolarHBondContact O-CG 3.21Å; K67-E71 PolarHBondContact O-N 3.03Å
68	R	38.9	Very low	40.8	Very low	161 Å²	161	106.6 Å²	106.6	61%	0.608	56%	0.556	S	S	*	*	H	α-helix	trans	-64.7	-35.8	175.9	-93.3	179.3	-74.6	-169.6	-6.5	113.8	D64 K66 Q72	D64-R68 VanDerWaalsContact O-CZ 3.3Å; D64-R68 PolarHBondContact O-NE 3.02Å; D64-R68 PolarHBondContact O-NH2 3.13Å; K66-R68 VanDerWaalsContact C-N 3.34Å; K66-R68 PolarHBondContact O-N 3.26Å; R68-Q72 WeakPolarHBondContact O-CB 3.23Å; R68-Q72 VanDerWaalsContact O-CG 3.28Å; R68-Q72 WeakPolarHBondContact O-CG 3.45Å; R68-Q72 PolarHBondContact O-N 2.84Å
69	V	41	Very low	41.6	Very low	99 Å²	99	105.1 Å²	105.1	60%	0.6	54%	0.544	S	S	*	.	H	α-helix	trans	-70.4	-39.1	175.5	-178.1	0	0	0	0	110.5	K66 K67 Q72 S73	K66-V69 PolarHBondContact O-N 2.88Å; K66-V69 VanDerWaalsContact O-N 3.16Å; K67-V69 PolarHBondContact O-N 2.8Å; V69-Q72 PolarHBondContact O-N 3.24Å; V69-S73 PolarHBondContact O-N 3.31Å
70	H	37.6	Very low	42.5	Very low	115 Å²	115	105.4 Å²	105.4	53%	0.532	54%	0.543	S	S	.	.	H	α-helix	trans	-71.4	-34.8	175.5	-119.7	-12.5	0	0	0	113	K66 K67 Q72 S73 Q74	K66-H70 PolarHBondContact O-N 2.74Å; K67-H70 PolarHBondContact O-N 2.89Å; H70-Q72 VanDerWaalsContact C-N 3.33Å; H70-S73 PolarHBondContact O-N 2.59Å; H70-S73 PolarHBondContact O-OG 2.85Å; H70-Q74 VanDerWaalsContact O-CB 3.3Å; H70-Q74 WeakPolarHBondContact O-CB 3.38Å; H70-Q74 VanDerWaalsContact O-CG 3.28Å; H70-Q74 WeakPolarHBondContact O-CG 3.26Å; H70-Q74 PolarHBondContact O-N 2.92Å
71	E	42.3	Very low	43.7	Very low	86 Å²	86	101.7 Å²	101.7	40%	0.402	52%	0.521	S	S	.	.	H	α-helix	trans	-70.3	-30.9	172.8	-74.3	169	163	0	0	111.5	K67 L75	K67-E71 HydrophobicContact CG-CG 4.36Å; K67-E71 IonicContact NZ-OE1 2.65Å; K67-E71 PolarHBondContact NZ-OE1 2.95Å; K67-E71 WeakPolarHBondContact O-CB 3.41Å; K67-E71 VanDerWaalsContact O-CG 3.26Å; K67-E71 WeakPolarHBondContact O-CG 3.21Å; K67-E71 PolarHBondContact O-N 3.03Å; E71-L75 WeakPolarHBondContact O-CB 3.34Å; E71-L75 PolarHBondContact O-N 3.42Å
72	Q	40.4	Very low	44.3	Very low	127 Å²	127	97.5 Å²	97.5	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-72.5	-38.3	170	-78.5	177.1	-16.9	0	0	112.6	R68 V69 H70 L75 L76	R68-Q72 WeakPolarHBondContact O-CB 3.23Å; R68-Q72 VanDerWaalsContact O-CG 3.28Å; R68-Q72 WeakPolarHBondContact O-CG 3.45Å; R68-Q72 PolarHBondContact O-N 2.84Å; V69-Q72 PolarHBondContact O-N 3.24Å; H70-Q72 VanDerWaalsContact C-N 3.33Å; Q72-L75 PolarHBondContact O-N 3.41Å; Q72-L76 PolarHBondContact O-N 3.25Å
73	S	45.9	Very low	44.9	Very low	40 Å²	40	96.8 Å²	96.8	28%	0.28	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-50	171.4	94.9	0	0	0	0	109.9	V69 H70 L75 L76 D77	V69-S73 PolarHBondContact O-N 3.31Å; H70-S73 PolarHBondContact O-N 2.59Å; H70-S73 PolarHBondContact O-OG 2.85Å; S73-L75 VanDerWaalsContact C-N 3.26Å; S73-L75 PolarHBondContact O-N 2.91Å; S73-L76 CarbonylContact O-C 3.6Å; S73-L76 WeakPolarHBondContact O-CA 3.32Å; S73-L76 WeakPolarHBondContact O-CB 3.5Å; S73-L76 PolarHBondContact O-N 3.19Å; S73-D77 VanDerWaalsContact C-OD2 3.24Å; S73-D77 PolarHBondContact O-N 3.15Å; S73-D77 VanDerWaalsContact O-OD2 3.05Å
74	Q	47.8	Very low	45.4	Very low	110 Å²	110	96.6 Å²	96.6	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-31.5	177.3	-73.9	-179.8	-8.8	0	0	112.9	H70 D77 V78	H70-Q74 VanDerWaalsContact O-CB 3.3Å; H70-Q74 WeakPolarHBondContact O-CB 3.38Å; H70-Q74 VanDerWaalsContact O-CG 3.28Å; H70-Q74 WeakPolarHBondContact O-CG 3.26Å; H70-Q74 PolarHBondContact O-N 2.92Å; Q74-D77 WeakPolarHBondContact CA-OD2 3.41Å; Q74-D77 PolarHBondContact N-OD2 3.46Å; Q74-V78 WeakPolarHBondContact O-CB 3.37Å; Q74-V78 WeakPolarHBondContact O-CG2 3.46Å; Q74-V78 PolarHBondContact O-N 3.14Å
75	L	47.4	Very low	45.4	Very low	101 Å²	101	94.7 Å²	94.7	53%	0.529	48%	0.475	S	S	.	.	H	α-helix	trans	-70.7	-36.6	171.9	-176.5	62.2	0	0	0	111.8	E71 Q72 S73 L79	E71-L75 WeakPolarHBondContact O-CB 3.34Å; E71-L75 PolarHBondContact O-N 3.42Å; Q72-L75 PolarHBondContact O-N 3.41Å; S73-L75 VanDerWaalsContact C-N 3.26Å; S73-L75 PolarHBondContact O-N 2.91Å; L75-L79 HydrophobicContact CD1-CD1 4.34Å; L75-L79 HydrophobicContact CD1-CG 4.36Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 VanDerWaalsContact O-CB 3.22Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 WeakPolarHBondContact O-CD1 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.49Å; L75-L79 PolarHBondContact O-N 3.22Å
76	L	46.7	Very low	45.6	Very low	114 Å²	114	95.1 Å²	95.1	60%	0.597	47%	0.466	S	S	*	.	H	α-helix	trans	-65.4	-48.9	169.7	-81.9	161.3	0	0	0	111.1	Q72 S73 V78 L79 E80	Q72-L76 PolarHBondContact O-N 3.25Å; S73-L76 CarbonylContact O-C 3.6Å; S73-L76 WeakPolarHBondContact O-CA 3.32Å; S73-L76 WeakPolarHBondContact O-CB 3.5Å; S73-L76 PolarHBondContact O-N 3.19Å; L76-V78 VanDerWaalsContact C-N 3.28Å; L76-V78 PolarHBondContact O-N 3.32Å; L76-L79 CarbonylContact O-C 3.5Å; L76-L79 PolarHBondContact O-N 3.04Å; L76-L79 VanDerWaalsContact O-N 3.12Å; L76-E80 VanDerWaalsContact O-CB 3.27Å; L76-E80 WeakPolarHBondContact O-CB 3.23Å; L76-E80 PolarHBondContact O-N 2.77Å
77	D	52.1	Low	45.5	Very low	89 Å²	89	93.9 Å²	93.9	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-39.6	177	-53.8	-38.1	0	0	0	111.1	S73 Q74 A81	S73-D77 VanDerWaalsContact C-OD2 3.24Å; S73-D77 PolarHBondContact O-N 3.15Å; S73-D77 VanDerWaalsContact O-OD2 3.05Å; Q74-D77 WeakPolarHBondContact CA-OD2 3.41Å; Q74-D77 PolarHBondContact N-OD2 3.46Å; D77-A81 WeakPolarHBondContact O-CB 3.38Å; D77-A81 PolarHBondContact O-N 3.31Å
78	V	51.7	Low	45.5	Very low	64 Å²	64	93.9 Å²	93.9	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-74.7	-37.1	175.7	165.5	0	0	0	0	112.2	Q74 L76 R82 F700	Q74-V78 WeakPolarHBondContact O-CB 3.37Å; Q74-V78 WeakPolarHBondContact O-CG2 3.46Å; Q74-V78 PolarHBondContact O-N 3.14Å; L76-V78 VanDerWaalsContact C-N 3.28Å; L76-V78 PolarHBondContact O-N 3.32Å; V78-R82 WeakPolarHBondContact O-CB 3.41Å; V78-R82 PolarHBondContact O-N 3.12Å; V78-F700 HydrophobicContact CG1-CE1 3.97Å; V78-F700 HydrophobicContact CG1-CZ 4.22Å
79	L	49.9	Very low	45.6	Very low	91 Å²	91	90.3 Å²	90.3	48%	0.476	47%	0.467	S	S	.	.	H	α-helix	trans	-68.9	-38.5	174	-77.2	168.6	0	0	0	111.3	L75 L76 R82 I83	L75-L79 HydrophobicContact CD1-CD1 4.34Å; L75-L79 HydrophobicContact CD1-CG 4.36Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 VanDerWaalsContact O-CB 3.22Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 WeakPolarHBondContact O-CD1 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.49Å; L75-L79 PolarHBondContact O-N 3.22Å; L76-L79 CarbonylContact O-C 3.5Å; L76-L79 PolarHBondContact O-N 3.04Å; L76-L79 VanDerWaalsContact O-N 3.12Å; L79-R82 CarbonylContact O-C 3.57Å; L79-R82 PolarHBondContact O-N 3.21Å; L79-I83 WeakPolarHBondContact O-CB 3.48Å; L79-I83 WeakPolarHBondContact O-CD1 3.42Å; L79-I83 WeakPolarHBondContact O-CG1 3.23Å; L79-I83 PolarHBondContact O-N 2.58Å
80	E	50.2	Low	45.5	Very low	112 Å²	112	90.1 Å²	90.1	52%	0.523	47%	0.466	S	S	.	.	H	α-helix	trans	-70.5	-45.7	176.4	-175.1	163.4	-169.7	0	0	110.8	L76 R82 I83 Q84	L76-E80 VanDerWaalsContact O-CB 3.27Å; L76-E80 WeakPolarHBondContact O-CB 3.23Å; L76-E80 PolarHBondContact O-N 2.77Å; E80-R82 PolarHBondContact O-N 2.95Å; E80-I83 PolarHBondContact O-N 3.19Å; E80-I83 VanDerWaalsContact O-N 3.14Å; E80-Q84 WeakPolarHBondContact O-CB 3.47Å; E80-Q84 VanDerWaalsContact O-CG 3.29Å; E80-Q84 WeakPolarHBondContact O-CG 3.43Å; E80-Q84 PolarHBondContact O-N 2.94Å
81	A	52.1	Low	45.3	Very low	37 Å²	37	89 Å²	89	31%	0.306	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-32.1	169.8	0	0	0	0	0	112.3	D77 Q85	D77-A81 WeakPolarHBondContact O-CB 3.38Å; D77-A81 PolarHBondContact O-N 3.31Å; A81-Q85 VanDerWaalsContact O-CB 3.31Å; A81-Q85 WeakPolarHBondContact O-CB 3.48Å; A81-Q85 PolarHBondContact O-N 3.34Å
82	R	46.6	Very low	45.1	Very low	99 Å²	99	91.2 Å²	91.2	37%	0.374	48%	0.481	S	S	.	.	H	α-helix	trans	-76	-33.6	174.6	-175.4	58.4	177.2	166.1	6.5	112.6	V78 L79 E80 Q85 L86	V78-R82 WeakPolarHBondContact O-CB 3.41Å; V78-R82 PolarHBondContact O-N 3.12Å; L79-R82 CarbonylContact O-C 3.57Å; L79-R82 PolarHBondContact O-N 3.21Å; E80-R82 PolarHBondContact O-N 2.95Å; R82-Q85 PolarHBondContact O-N 3.46Å; R82-L86 HydrophobicContact CG-CD1 4.2Å; R82-L86 WeakPolarHBondContact O-CB 3.37Å; R82-L86 WeakPolarHBondContact O-CD1 3.49Å; R82-L86 WeakPolarHBondContact O-CG 3.33Å; R82-L86 PolarHBondContact O-N 3.35Å
83	I	52	Low	44.7	Very low	89 Å²	89	92.1 Å²	92.1	46%	0.456	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-47.9	171.9	-74.7	161.2	0	0	0	109.5	L79 E80 Q85 L86 Q87	L79-I83 WeakPolarHBondContact O-CB 3.48Å; L79-I83 WeakPolarHBondContact O-CD1 3.42Å; L79-I83 WeakPolarHBondContact O-CG1 3.23Å; L79-I83 PolarHBondContact O-N 2.58Å; E80-I83 PolarHBondContact O-N 3.19Å; E80-I83 VanDerWaalsContact O-N 3.14Å; I83-Q85 VanDerWaalsContact C-N 3.3Å; I83-Q85 PolarHBondContact O-N 2.97Å; I83-L86 CarbonylContact O-C 3.59Å; I83-L86 PolarHBondContact O-N 3.49Å; I83-L86 VanDerWaalsContact O-N 3.08Å; I83-Q87 HydrophobicContact CG2-CG 4.46Å; I83-Q87 WeakPolarHBondContact O-CB 3.47Å; I83-Q87 VanDerWaalsContact O-CG 3.26Å; I83-Q87 WeakPolarHBondContact O-CG 3Å; I83-Q87 PolarHBondContact O-N 2.85Å
84	Q	46.6	Very low	43.9	Very low	108 Å²	108	96.6 Å²	96.6	51%	0.505	52%	0.515	S	S	.	.	H	α-helix	trans	-59.1	-39.7	173.1	-69.7	173.5	9.3	0	0	111.6	E80 Q87 S88	E80-Q84 WeakPolarHBondContact O-CB 3.47Å; E80-Q84 VanDerWaalsContact O-CG 3.29Å; E80-Q84 WeakPolarHBondContact O-CG 3.43Å; E80-Q84 PolarHBondContact O-N 2.94Å; Q84-Q87 PolarHBondContact O-N 3.33Å; Q84-S88 PolarHBondContact O-N 2.81Å; Q84-S88 PolarHBondContact O-OG 3.26Å
85	Q	43.8	Very low	43.1	Very low	52 Å²	52	99.9 Å²	99.9	24%	0.243	53%	0.53	C	S	.	.	H	α-helix	trans	-64.9	-43.6	172.2	-163.5	-160	-22.5	0	0	111.9	A81 R82 I83 Q87 S88 D89	A81-Q85 VanDerWaalsContact O-CB 3.31Å; A81-Q85 WeakPolarHBondContact O-CB 3.48Å; A81-Q85 PolarHBondContact O-N 3.34Å; R82-Q85 PolarHBondContact O-N 3.46Å; I83-Q85 VanDerWaalsContact C-N 3.3Å; I83-Q85 PolarHBondContact O-N 2.97Å; Q85-Q87 VanDerWaalsContact C-N 3.27Å; Q85-Q87 PolarHBondContact O-N 3.22Å; Q85-S88 WeakPolarHBondContact CA-OG 3.46Å; Q85-S88 PolarHBondContact O-N 3.32Å; Q85-S88 PolarHBondContact O-OG 2.95Å; Q85-D89 PolarHBondContact NE2-OD2 3.42Å; Q85-D89 VanDerWaalsContact O-CB 3.31Å; Q85-D89 WeakPolarHBondContact O-CB 3.41Å; Q85-D89 PolarHBondContact O-N 2.99Å
86	L	41.8	Very low	42.3	Very low	82 Å²	82	104 Å²	104	43%	0.429	55%	0.546	S	S	.	.	H	α-helix	trans	-68.3	-27.2	178.4	-72.8	166	0	0	0	112.8	R82 I83	R82-L86 HydrophobicContact CG-CD1 4.2Å; R82-L86 WeakPolarHBondContact O-CB 3.37Å; R82-L86 WeakPolarHBondContact O-CD1 3.49Å; R82-L86 WeakPolarHBondContact O-CG 3.33Å; R82-L86 PolarHBondContact O-N 3.35Å; I83-L86 CarbonylContact O-C 3.59Å; I83-L86 PolarHBondContact O-N 3.49Å; I83-L86 VanDerWaalsContact O-N 3.08Å
87	Q	38.7	Very low	41.5	Very low	107 Å²	107	103 Å²	103	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-72.3	-40.9	171.2	-72.7	165.6	-28.5	0	0	111.2	I83 Q84 Q85 V90	I83-Q87 HydrophobicContact CG2-CG 4.46Å; I83-Q87 WeakPolarHBondContact O-CB 3.47Å; I83-Q87 VanDerWaalsContact O-CG 3.26Å; I83-Q87 WeakPolarHBondContact O-CG 3Å; I83-Q87 PolarHBondContact O-N 2.85Å; Q84-Q87 PolarHBondContact O-N 3.33Å; Q85-Q87 VanDerWaalsContact C-N 3.27Å; Q85-Q87 PolarHBondContact O-N 3.22Å; Q87-V90 PolarHBondContact O-N 2.82Å
88	S	41	Very low	40.6	Very low	89 Å²	89	108.1 Å²	108.1	62%	0.622	57%	0.573	S	S	*	*	H	α-helix	trans	-73.3	-31.6	174.5	67.2	0	0	0	0	113.5	Q84 Q85 V90	Q84-S88 PolarHBondContact O-N 2.81Å; Q84-S88 PolarHBondContact O-OG 3.26Å; Q85-S88 WeakPolarHBondContact CA-OG 3.46Å; Q85-S88 PolarHBondContact O-N 3.32Å; Q85-S88 PolarHBondContact O-OG 2.95Å; S88-V90 PolarHBondContact O-N 3.45Å; S88-V90 VanDerWaalsContact O-N 3.09Å
89	D	41.3	Very low	39.4	Very low	86 Å²	86	111.6 Å²	111.6	46%	0.46	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	28	171.9	-74.6	-38.4	0	0	0	113.1	Q85 K846	Q85-D89 PolarHBondContact NE2-OD2 3.42Å; Q85-D89 VanDerWaalsContact O-CB 3.31Å; Q85-D89 WeakPolarHBondContact O-CB 3.41Å; Q85-D89 PolarHBondContact O-N 2.99Å; D89-K846 PolarHBondContact O-NZ 2.89Å
90	V	40	Very low	38.3	Very low	95 Å²	95	116 Å²	116	58%	0.576	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.5	88.2	172.6	-172	0	0	0	0	114.7	Q87 S88 K846	Q87-V90 PolarHBondContact O-N 2.82Å; S88-V90 PolarHBondContact O-N 3.45Å; S88-V90 VanDerWaalsContact O-N 3.09Å; V90-K846 PolarHBondContact O-NZ 2.99Å
91	V	33.9	Very low	37.3	Very low	92 Å²	92	120 Å²	120	56%	0.558	63%	0.628	S	S	*	*			trans	-138.1	117.5	148.2	180	0	0	0	0	108.5
92	L	36.2	Very low	36	Very low	132 Å²	132	125.2 Å²	125.2	69%	0.691	65%	0.65	S	S	*	*			trans	-92.2	163.5	160	-77.1	169.4	0	0	0	109.4
93	D	34.1	Very low	34.8	Very low	146 Å²	146	129.2 Å²	129.2	78%	0.781	67%	0.67	S	S	*	*			trans	63.3	81.6	-180	-65.5	-22.3	0	0	0	117.9
94	V	28.2	Very low	34	Very low	134 Å²	134	130.3 Å²	130.3	81%	0.812	69%	0.686	S	S	*	*			trans	-126.9	118.3	132.7	-178.9	0	0	0	0	107.9
95	Q	30	Very low	33.2	Very low	179 Å²	179	130.8 Å²	130.8	84%	0.836	70%	0.698	S	S	*	*			trans	-70.2	133.3	-178.6	-68.8	-174.6	-6.4	0	0	112.1	A97	Q95-A97 PolarHBondContact O-N 3.45Å
96	H	31.6	Very low	32.3	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.866	72%	0.715	S	S	*	*			trans	-76.3	86.8	179.6	-101.3	-93.9	0	0	0	112.8	K98	H96-K98 PolarHBondContact O-N 2.94Å
97	A	30.3	Very low	31.4	Very low	94 Å²	94	136.5 Å²	136.5	78%	0.777	73%	0.73	S	S	*	*			trans	-77.2	86.2	167.1	0	0	0	0	0	111.4	Q95	Q95-A97 PolarHBondContact O-N 3.45Å
98	K	33.2	Very low	30.6	Very low	196 Å²	196	141 Å²	141	85%	0.852	74%	0.742	S	S	*	*			trans	16.9	106.9	164.1	-66.1	177.1	179.8	173.6	0	117.5	H96	H96-K98 PolarHBondContact O-N 2.94Å
99	V	26.1	Very low	29.7	Very low	136 Å²	136	140.5 Å²	140.5	82%	0.824	75%	0.751	S	S	*	*			trans	-113.3	116	150.9	179.3	0	0	0	0	108.1
100	Q	25.7	Very low	28.9	Very low	183 Å²	183	140 Å²	140	86%	0.855	77%	0.767	S	S	*	*			trans	-86.1	134.7	170.5	-72.1	177.6	-45.1	0	0	109.5
101	F	29.5	Very low	28.2	Very low	196 Å²	196	143.4 Å²	143.4	86%	0.86	78%	0.781	S	S	*	*			trans	-70.6	142.1	163.7	-68.9	-94.4	0	0	0	109.9
102	L	24.5	Very low	27.8	Very low	148 Å²	148	144.7 Å²	144.7	78%	0.775	79%	0.794	S	S	*	*				176.7	151	117	-94.4	164.7	0	0	0	114.1
103	K	22.9	Very low	27.2	Very low	182 Å²	182	143.2 Å²	143.2	79%	0.791	80%	0.795	S	S	*	*			trans	61.6	110.7	152.7	-69.8	168.7	-178.7	179.7	0	119.7
104	S	34.7	Very low	26.8	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	79%	0.793	S	S	*	*			trans	-74.4	153.3	149.1	60.6	0	0	0	0	112.1
105	P	29.4	Very low	26.5	Very low	117 Å²	117	146.4 Å²	146.4	76%	0.76	79%	0.794	S	S	*	*			trans	-116.6	109.3	145.9	5.9	15.5	0	0	0	112.2
106	S	24.8	Very low	26.3	Very low	86 Å²	86	142.9 Å²	142.9	60%	0.601	79%	0.786	S	S	*	*			trans	36.4	152.4	130.4	63.7	0	0	0	0	124.2
107	F	22.5	Very low	26	Very low	168 Å²	168	141 Å²	141	74%	0.737	78%	0.781	S	S	*	*			trans	75.2	152.7	149.9	-78.2	-47.9	0	0	0	118.4
108	R	21.9	Very low	25.7	Very low	201 Å²	201	145.9 Å²	145.9	76%	0.758	79%	0.785	S	S	*	*			cis	-162.2	146.4	-11.3	179.2	177.3	-65.8	-149.2	1.7	110.3
109	G	23.3	Very low	25.3	Very low	79 Å²	79	139.6 Å²	139.6	81%	0.814	78%	0.775	S	S	*	*			trans	72.8	176.6	165.4	0	0	0	0	0	115.4
110	G	24.2	Very low	25.1	Very low	77 Å²	77	138.8 Å²	138.8	79%	0.794	78%	0.776	S	S	*	*			cis	-167	165.8	-3.6	0	0	0	0	0	110.7
111	L	25.2	Very low	25.1	Very low	166 Å²	166	134.6 Å²	134.6	87%	0.869	77%	0.767	S	S	*	*			trans	-84.1	166.8	-172.2	-77.4	91.1	0	0	0	114.9
112	S	24.7	Very low	25.1	Very low	118 Å²	118	134.5 Å²	134.5	83%	0.825	77%	0.766	S	S	*	*			trans	79.9	161.5	158.2	86.7	0	0	0	0	116.6
113	S	24.7	Very low	25.2	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	76%	0.755	S	S	*	*			cis	-157.1	170.8	1.9	-143.6	0	0	0	0	114.1
114	V	24.6	Very low	25.4	Very low	122 Å²	122	131.4 Å²	131.4	74%	0.739	75%	0.751	S	S	*	*			trans	47	104.5	149.4	171.7	0	0	0	0	121.6
115	R	23.8	Very low	25	Very low	224 Å²	224	130.7 Å²	130.7	85%	0.845	75%	0.746	S	S	*	*				47.7	133.8	107.3	-120.2	-173.3	-172.2	172.8	1.1	123.2
116	T	24.4	Very low	24.7	Very low	106 Å²	106	131.7 Å²	131.7	65%	0.65	75%	0.745	S	S	*	*			trans	87.5	134.7	136.5	24.8	0	0	0	0	125.5
117	L	25.1	Very low	24.9	Very low	147 Å²	147	135 Å²	135	77%	0.77	75%	0.754	S	S	*	*			trans	72.8	154.4	147.3	-63.7	164.1	0	0	0	118.3
118	K	25.2	Very low	25.7	Very low	197 Å²	197	132.5 Å²	132.5	86%	0.857	76%	0.755	S	S	*	*			cis	-161.1	167.1	-8	-138.5	172	-175.4	-179.8	0	111.2
119	G	23.2	Very low	25.9	Very low	63 Å²	63	132.7 Å²	132.7	65%	0.649	76%	0.761	S	S	*	*			trans	89.5	141	160.1	0	0	0	0	0	117.1
120	S	23.8	Very low	26.1	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	77%	0.766	S	S	*	*			cis	88	134.1	37.8	71.2	0	0	0	0	113.7
121	S	25.5	Very low	26.1	Very low	96 Å²	96	134.4 Å²	134.4	67%	0.671	76%	0.758	S	S	*	*			cis	-175.1	168.8	2.8	51.9	0	0	0	0	112.5
122	K	28.1	Very low	26.2	Very low	193 Å²	193	136.3 Å²	136.3	84%	0.839	76%	0.763	S	S	*	*			trans	70.2	156.9	149.8	-85.2	179.5	177.2	-179.1	0	118.8
123	D	26.9	Very low	26.1	Very low	102 Å²	102	134.6 Å²	134.6	55%	0.545	76%	0.756	S	S	.	*			cis	-164.7	164.4	-19.6	-151	-11.1	0	0	0	110.4
124	K	28	Very low	26.1	Very low	164 Å²	164	136 Å²	136	71%	0.713	76%	0.76	S	S	*	*			trans	44.1	119.8	159.5	-72.4	142.5	-170.1	151.6	0	121.9
125	S	25	Very low	26.1	Very low	98 Å²	98	137 Å²	137	69%	0.685	77%	0.766	S	S	*	*				84.9	168.3	82.2	90.4	0	0	0	0	114.1
126	D	24.8	Very low	26.5	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	77%	0.77	S	S	*	*			cis	-151.4	-168.7	15	-136.1	-68.1	0	0	0	114.3
127	I	27.6	Very low	26.5	Very low	155 Å²	155	143.2 Å²	143.2	80%	0.795	78%	0.784	S	S	*	*			trans	-138.2	122.9	-158.8	-52.2	165.6	0	0	0	117.5
128	P	40	Very low	26.7	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	78%	0.784	S	S	*	*			trans	-142.1	114.4	165.7	35.6	-16.5	0	0	0	119.7
129	K	26.9	Very low	26.8	Very low	205 Å²	205	137.1 Å²	137.1	89%	0.891	78%	0.784	S	S	*	*			trans	39.5	146.2	138.1	-63.6	178.5	179.5	174.4	0	126.2
130	S	25.9	Very low	27.2	Very low	131 Å²	131	143.9 Å²	143.9	92%	0.916	80%	0.795	S	S	*	*			trans	78.4	141.1	156.1	-150.7	0	0	0	0	119
131	G	25	Very low	27.7	Very low	61 Å²	61	143.7 Å²	143.7	63%	0.629	79%	0.794	S	S	*	*			cis	170.4	138.7	-11	0	0	0	0	0	114
132	Q	26.1	Very low	28.4	Very low	205 Å²	205	148 Å²	148	96%	0.958	80%	0.803	S	S	*	*			trans	59.7	150.6	174.7	-68.7	-174.9	-1.3	0	0	117.9
133	A	24.2	Very low	29.1	Very low	82 Å²	82	142.1 Å²	142.1	68%	0.678	79%	0.785	S	S	*	*			cis	-159.2	170.2	-21.2	0	0	0	0	0	111.4
134	V	23.6	Very low	30.6	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	78%	0.781	S	S	*	*			trans	65	106	166	-167.6	0	0	0	0	119.4
135	T	25.9	Very low	31.3	Very low	141 Å²	141	143 Å²	143	87%	0.865	79%	0.786	S	S	*	*				-172.2	145.3	119.1	19.4	0	0	0	0	111.3
136	K	30.5	Very low	31.8	Very low	211 Å²	211	147.5 Å²	147.5	92%	0.917	79%	0.788	S	S	*	*			trans	-81.5	124.4	175.8	-72.1	178.3	178.4	174.1	0	111
137	R	26.1	Very low	32.7	Very low	251 Å²	251	146 Å²	146	95%	0.947	78%	0.778	S	S	*	*			trans	-152.9	151	155	-119.7	171.5	-177.7	175.7	1.7	112.2
138	A	27.5	Very low	33.8	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	76%	0.763	S	S	*	*			trans	-70.3	141.3	-167	0	0	0	0	0	113.8	K140	A138-K140 PolarHBondContact O-N 3.48Å
139	S	29.3	Very low	34.4	Very low	122 Å²	122	144.3 Å²	144.3	85%	0.853	76%	0.755	S	S	*	*			trans	-65.5	112.2	171.7	52	0	0	0	0	111.1
140	K	31.2	Very low	35.2	Very low	204 Å²	204	137.8 Å²	137.8	89%	0.887	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-77	133.7	168.1	-66.9	178.6	179.1	177.1	0	109.5	A138	A138-K140 PolarHBondContact O-N 3.48Å
141	S	33.8	Very low	36.3	Very low	115 Å²	115	134 Å²	134	80%	0.804	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-64.9	144.8	165.6	51	0	0	0	0	110.7
142	Q	40.4	Very low	37.8	Very low	187 Å²	187	135.5 Å²	135.5	87%	0.874	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-64	142.5	175.6	-75.9	-179	-38.1	0	0	111.5
143	P	41.8	Very low	39	Very low	69 Å²	69	131.4 Å²	131.4	45%	0.448	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-68.6	148.1	172	30.7	-34.6	0	0	0	110.5	M147 E148	P143-M147 HydrophobicContact CB-CB 4.13Å; P143-M147 HydrophobicContact CB-CE 3.86Å; P143-E148 HydrophobicContact CG-CG 4.26Å
144	S	59.5	Low	40.3	Very low	66 Å²	66	134.5 Å²	134.5	46%	0.462	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-70.2	153.9	174.8	67.9	0	0	0	0	111.6	W146 M147 E148	S144-W146 PolarHBondContact O-N 2.7Å; S144-M147 WeakPolarHBondContact O-CA 3.47Å; S144-M147 PolarHBondContact O-N 3Å; S144-E148 PolarHBondContact O-N 2.96Å; S144-E148 VanDerWaalsContact O-N 3.16Å
145	R	42.6	Very low	42	Very low	220 Å²	220	134 Å²	134	83%	0.83	66%	0.659	S	S	*	*	H	α-helix	trans	-49.5	-19.4	175.1	-164.4	178.3	-175.7	-171.9	3.3	114.6	K149	R145-K149 PolarHBondContact O-N 2.87Å
146	W	35.6	Very low	43.6	Very low	191 Å²	191	131 Å²	131	72%	0.723	64%	0.638	S	S	*	*	H	α-helix	trans	-82.8	-37.4	175	-157.8	81.2	0	0	0	112.9	S144 K149 L150	S144-W146 PolarHBondContact O-N 2.7Å; W146-K149 PolarHBondContact O-N 3.18Å; W146-L150 HydrophobicContact CD2-CD1 4.49Å; W146-L150 HydrophobicContact CE3-CD1 3.7Å; W146-L150 HydrophobicContact CH2-CD1 3.97Å; W146-L150 HydrophobicContact CZ3-CD1 3.41Å; W146-L150 VanDerWaalsContact CZ3-CD1 3.41Å; W146-L150 PolarHBondContact O-N 2.87Å; W146-L150 VanDerWaalsContact O-N 3.07Å
147	M	43.6	Very low	44.7	Very low	105 Å²	105	128.4 Å²	128.4	52%	0.517	63%	0.627	S	S	.	*	H	α-helix	trans	-70.8	-36.1	172.9	-74.6	-162	-73.8	0	0	112.3	P143 S144 L150 S151	P143-M147 HydrophobicContact CB-CB 4.13Å; P143-M147 HydrophobicContact CB-CE 3.86Å; S144-M147 WeakPolarHBondContact O-CA 3.47Å; S144-M147 PolarHBondContact O-N 3Å; M147-L150 PolarHBondContact O-N 3.41Å; M147-S151 PolarHBondContact O-N 3.1Å
148	E	49.5	Very low	46.1	Very low	101 Å²	101	121.4 Å²	121.4	47%	0.472	61%	0.608	S	S	.	*	H	α-helix	trans	-58.4	-50.2	171.1	-66.8	-177.6	130.9	0	0	110.7	P143 S144 L150 S151 E152	P143-E148 HydrophobicContact CG-CG 4.26Å; S144-E148 PolarHBondContact O-N 2.96Å; S144-E148 VanDerWaalsContact O-N 3.16Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.04Å; E148-S151 CarbonylContact O-C 3.23Å; E148-S151 WeakPolarHBondContact O-CA 3.4Å; E148-S151 WeakPolarHBondContact O-CB 3.5Å; E148-S151 PolarHBondContact O-N 2.91Å; E148-S151 PolarHBondContact O-OG 2.97Å; E148-E152 PolarHBondContact O-N 2.86Å
149	K	53	Low	47.5	Very low	137 Å²	137	123 Å²	123	60%	0.596	60%	0.597	S	S	*	*	H	α-helix	trans	-57.9	-40.5	177.3	-164.5	175	-176	-179.6	0	112.8	R145 W146 S151 E152 E153	R145-K149 PolarHBondContact O-N 2.87Å; W146-K149 PolarHBondContact O-N 3.18Å; K149-S151 VanDerWaalsContact C-N 3.34Å; K149-E152 PolarHBondContact O-N 3.26Å; K149-E153 PolarHBondContact O-N 2.99Å
150	L	44.9	Very low	48.6	Very low	68 Å²	68	124.9 Å²	124.9	36%	0.356	59%	0.59	S	S	.	*	H	α-helix	trans	-63.9	-34.7	172	-97.5	167.8	0	0	0	113.3	W146 M147 E148 K154	W146-L150 HydrophobicContact CD2-CD1 4.49Å; W146-L150 HydrophobicContact CE3-CD1 3.7Å; W146-L150 HydrophobicContact CH2-CD1 3.97Å; W146-L150 HydrophobicContact CZ3-CD1 3.41Å; W146-L150 VanDerWaalsContact CZ3-CD1 3.41Å; W146-L150 PolarHBondContact O-N 2.87Å; W146-L150 VanDerWaalsContact O-N 3.07Å; M147-L150 PolarHBondContact O-N 3.41Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.04Å; L150-K154 WeakPolarHBondContact O-CB 3.21Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 3.08Å
151	S	48.8	Very low	49.5	Very low	50 Å²	50	120.7 Å²	120.7	35%	0.35	57%	0.573	S	S	.	*	H	α-helix	trans	-71.7	-35.9	175.1	84.1	0	0	0	0	111.9	M147 E148 K149 K154 K155	M147-S151 PolarHBondContact O-N 3.1Å; E148-S151 CarbonylContact O-C 3.23Å; E148-S151 WeakPolarHBondContact O-CA 3.4Å; E148-S151 WeakPolarHBondContact O-CB 3.5Å; E148-S151 PolarHBondContact O-N 2.91Å; E148-S151 PolarHBondContact O-OG 2.97Å; K149-S151 VanDerWaalsContact C-N 3.34Å; S151-K154 PolarHBondContact O-N 3.15Å; S151-K155 WeakPolarHBondContact O-CG 3.48Å; S151-K155 PolarHBondContact O-N 3.06Å
152	E	55.3	Low	50.1	Low	93 Å²	93	120.2 Å²	120.2	44%	0.435	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-44.3	175.1	-140.9	67.6	-101.9	0	0	111.2	E148 K149 K154 K155 N156	E148-E152 PolarHBondContact O-N 2.86Å; K149-E152 PolarHBondContact O-N 3.26Å; E152-K154 PolarHBondContact O-N 2.86Å; E152-K155 PolarHBondContact O-N 3.23Å; E152-N156 VanDerWaalsContact O-CB 3.31Å; E152-N156 WeakPolarHBondContact O-CB 3.38Å; E152-N156 VanDerWaalsContact O-CG 3.28Å; E152-N156 PolarHBondContact O-N 3.07Å; E152-N156 PolarHBondContact O-ND2 3.07Å
153	E	52.1	Low	50.8	Low	119 Å²	119	115.9 Å²	115.9	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-62.8	-40.8	173.4	-75.3	-173.8	162.2	0	0	111.9	K149 N156 K157	K149-E153 PolarHBondContact O-N 2.99Å; E153-N156 PolarHBondContact O-N 2.76Å; E153-K157 WeakPolarHBondContact O-CB 3.21Å; E153-K157 PolarHBondContact O-N 3.1Å
154	K	51.9	Low	50.8	Low	148 Å²	148	118 Å²	118	64%	0.643	55%	0.547	S	S	*	.	H	α-helix	trans	-62.2	-46	173.4	-78.6	179	177.5	-177.1	0	112.3	L150 S151 E152 N156 K157 L158	L150-K154 WeakPolarHBondContact O-CB 3.21Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 3.08Å; S151-K154 PolarHBondContact O-N 3.15Å; E152-K154 PolarHBondContact O-N 2.86Å; K154-N156 PolarHBondContact O-N 3.41Å; K154-K157 PolarHBondContact O-N 3.27Å; K154-L158 PolarHBondContact O-N 3.2Å
155	K	58.1	Low	49.9	Very low	122 Å²	122	120.9 Å²	120.9	53%	0.53	55%	0.553	S	S	.	*	H	α-helix	trans	-59	-45.7	174	-80.2	175.8	178.1	170.6	0	111.9	S151 E152 K157 L158 K159	S151-K155 WeakPolarHBondContact O-CG 3.48Å; S151-K155 PolarHBondContact O-N 3.06Å; E152-K155 PolarHBondContact O-N 3.23Å; K155-K157 VanDerWaalsContact C-N 3.33Å; K155-K157 PolarHBondContact O-N 3.39Å; K155-L158 PolarHBondContact O-N 3.34Å; K155-K159 WeakPolarHBondContact O-CG 3.49Å; K155-K159 PolarHBondContact O-N 2.79Å
156	N	60	Low	49.9	Very low	78 Å²	78	117.3 Å²	117.3	42%	0.417	55%	0.546	S	S	.	.	H	α-helix	trans	-68.2	-31.5	-179.9	-74.4	-38.4	0	0	0	112.6	E152 E153 K154 K160	E152-N156 VanDerWaalsContact O-CB 3.31Å; E152-N156 WeakPolarHBondContact O-CB 3.38Å; E152-N156 VanDerWaalsContact O-CG 3.28Å; E152-N156 PolarHBondContact O-N 3.07Å; E152-N156 PolarHBondContact O-ND2 3.07Å; E153-N156 PolarHBondContact O-N 2.76Å; K154-N156 PolarHBondContact O-N 3.41Å; N156-K160 WeakPolarHBondContact O-CG 3.14Å; N156-K160 PolarHBondContact O-N 3.12Å; N156-K160 VanDerWaalsContact O-N 3.16Å
157	K	53.8	Low	50.2	Low	157 Å²	157	116 Å²	116	68%	0.683	55%	0.545	S	S	*	.	H	α-helix	trans	-68.4	-45.1	171.8	-158.1	171.3	-173.8	178.8	0	111.2	E153 K154 K155 K160 Q161	E153-K157 WeakPolarHBondContact O-CB 3.21Å; E153-K157 PolarHBondContact O-N 3.1Å; K154-K157 PolarHBondContact O-N 3.27Å; K155-K157 VanDerWaalsContact C-N 3.33Å; K155-K157 PolarHBondContact O-N 3.39Å; K157-K160 PolarHBondContact O-N 3.44Å; K157-Q161 WeakPolarHBondContact O-CB 3.18Å; K157-Q161 PolarHBondContact O-N 3.34Å
158	L	54.6	Low	49.9	Very low	104 Å²	104	118.7 Å²	118.7	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-60	-48.6	174.3	-115.9	75.4	0	0	0	112.3	K154 K155 K160 Q161 Q162	K154-L158 PolarHBondContact O-N 3.2Å; K155-L158 PolarHBondContact O-N 3.34Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 3.31Å; L158-Q161 WeakPolarHBondContact O-CA 3.49Å; L158-Q161 WeakPolarHBondContact O-CB 3.5Å; L158-Q161 PolarHBondContact O-N 3.38Å; L158-Q162 PolarHBondContact O-N 3.4Å
159	K	56.9	Low	49.4	Very low	128 Å²	128	122.1 Å²	122.1	56%	0.557	58%	0.575	S	S	*	*	H	α-helix	trans	-57.1	-44.4	177.8	-77.6	-176.6	174.2	-176.4	0	111.9	K155 Q161 Q162 I163	K155-K159 WeakPolarHBondContact O-CG 3.49Å; K155-K159 PolarHBondContact O-N 2.79Å; K159-Q161 VanDerWaalsContact C-N 3.3Å; K159-Q161 PolarHBondContact O-N 3.43Å; K159-Q162 PolarHBondContact O-N 2.91Å; K159-I163 WeakPolarHBondContact O-CB 3.46Å; K159-I163 WeakPolarHBondContact O-CD1 3.45Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.43Å; K159-I163 PolarHBondContact O-N 3.35Å
160	K	53.9	Low	48.6	Very low	161 Å²	161	125.8 Å²	125.8	70%	0.7	59%	0.585	S	S	*	*	H	α-helix	trans	-62.8	-35.7	175.4	-75.5	179.1	178	-176.3	0	112.5	N156 K157 L158 L164	N156-K160 WeakPolarHBondContact O-CG 3.14Å; N156-K160 PolarHBondContact O-N 3.12Å; N156-K160 VanDerWaalsContact O-N 3.16Å; K157-K160 PolarHBondContact O-N 3.44Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 3.31Å; K160-L164 WeakPolarHBondContact O-CB 3.38Å; K160-L164 PolarHBondContact O-N 2.96Å; K160-L164 VanDerWaalsContact O-N 3.12Å
161	Q	48.9	Very low	47.8	Very low	115 Å²	115	130 Å²	130	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-72	-39.6	178.6	-159.2	165.3	4.3	0	0	112.2	K157 L158 K159 L164 Q165	K157-Q161 WeakPolarHBondContact O-CB 3.18Å; K157-Q161 PolarHBondContact O-N 3.34Å; L158-Q161 WeakPolarHBondContact O-CA 3.49Å; L158-Q161 WeakPolarHBondContact O-CB 3.5Å; L158-Q161 PolarHBondContact O-N 3.38Å; K159-Q161 VanDerWaalsContact C-N 3.3Å; K159-Q161 PolarHBondContact O-N 3.43Å; Q161-L164 WeakPolarHBondContact O-CB 3.4Å; Q161-L164 PolarHBondContact O-N 3.3Å; Q161-Q165 PolarHBondContact O-N 3.16Å
162	Q	46.8	Very low	47.1	Very low	106 Å²	106	133 Å²	133	50%	0.495	63%	0.626	S	S	.	*	H	α-helix	trans	-67	-42.1	174	-71.5	175.2	-40.8	0	0	112.5	L158 K159 L164 Q165 Q166	L158-Q162 PolarHBondContact O-N 3.4Å; K159-Q162 PolarHBondContact O-N 2.91Å; Q162-L164 PolarHBondContact O-N 2.86Å; Q162-Q165 PolarHBondContact O-N 3.02Å; Q162-Q166 PolarHBondContact O-N 2.93Å
163	I	55.5	Low	45.8	Very low	96 Å²	96	138 Å²	138	49%	0.492	65%	0.646	S	S	.	*	H	α-helix	trans	-62.1	-33.3	174	-69.1	164.9	0	0	0	111.1	K159 K167	K159-I163 WeakPolarHBondContact O-CB 3.46Å; K159-I163 WeakPolarHBondContact O-CD1 3.45Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.43Å; K159-I163 PolarHBondContact O-N 3.35Å; I163-K167 PolarHBondContact O-N 3.12Å
164	L	40.9	Very low	44.7	Very low	114 Å²	114	140.9 Å²	140.9	60%	0.597	66%	0.66	S	S	*	*	H	α-helix	trans	-69.2	-44.5	174.9	-160.4	71.8	0	0	0	111.5	K160 Q161 Q162 K167 M168	K160-L164 WeakPolarHBondContact O-CB 3.38Å; K160-L164 PolarHBondContact O-N 2.96Å; K160-L164 VanDerWaalsContact O-N 3.12Å; Q161-L164 WeakPolarHBondContact O-CB 3.4Å; Q161-L164 PolarHBondContact O-N 3.3Å; Q162-L164 PolarHBondContact O-N 2.86Å; L164-K167 PolarHBondContact O-N 2.78Å; L164-M168 PolarHBondContact O-N 2.93Å
165	Q	40.9	Very low	43.5	Very low	126 Å²	126	142.8 Å²	142.8	59%	0.589	67%	0.668	S	S	*	*	H	α-helix	trans	-62.1	-43.3	176.5	-74	176	-40.1	0	0	112.4	Q161 Q162 K167 M168	Q161-Q165 PolarHBondContact O-N 3.16Å; Q162-Q165 PolarHBondContact O-N 3.02Å; Q165-K167 PolarHBondContact O-N 2.88Å; Q165-M168 PolarHBondContact O-N 3.24Å; Q165-M168 VanDerWaalsContact O-N 3.08Å
166	Q	42.6	Very low	42	Very low	144 Å²	144	144.9 Å²	144.9	67%	0.673	68%	0.684	S	S	*	*	H	α-helix	trans	-62.5	-27.6	175.7	-75.4	-177.2	-24.9	0	0	113.2	Q162	Q162-Q166 PolarHBondContact O-N 2.93Å
167	K	42.9	Very low	41	Very low	163 Å²	163	147.4 Å²	147.4	71%	0.709	71%	0.705	S	S	*	*	H	α-helix	trans	-78.6	-18.5	174.4	-76.8	-171.1	174.8	-168.4	0	114.3	I163 L164 Q165	I163-K167 PolarHBondContact O-N 3.12Å; L164-K167 PolarHBondContact O-N 2.78Å; Q165-K167 PolarHBondContact O-N 2.88Å
168	M	37.6	Very low	39.7	Very low	162 Å²	162	143.8 Å²	143.8	80%	0.798	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-4.5	178.9	-68.1	-170.6	73	0	0	114.2	L164 Q165	L164-M168 PolarHBondContact O-N 2.93Å; Q165-M168 PolarHBondContact O-N 3.24Å; Q165-M168 VanDerWaalsContact O-N 3.08Å
169	Q	38.3	Very low	38.3	Very low	174 Å²	174	148.6 Å²	148.6	81%	0.813	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	11.5	-179.7	-70.3	-173.9	-25.4	0	0	114.6
170	R	35.5	Very low	36.9	Very low	214 Å²	214	147.5 Å²	147.5	81%	0.808	74%	0.737	S	S	*	*	S	Bend	trans	-122.8	119.9	177.9	-76.2	-172.3	171.6	-175.2	-3.3	113.4
171	N	28.8	Very low	35.5	Very low	157 Å²	157	150.1 Å²	150.1	84%	0.84	75%	0.748	S	S	*	*			trans	93.1	116.5	162.7	-57.5	8.3	0	0	0	117.5
172	P	33.8	Very low	34.5	Very low	112 Å²	112	149.2 Å²	149.2	73%	0.727	76%	0.761	S	S	*	*			trans	-118.6	172.6	178.6	43.7	-34.7	0	0	0	115.2
173	K	28.7	Very low	33.6	Very low	197 Å²	197	149.5 Å²	149.5	86%	0.857	77%	0.774	S	S	*	*			trans	70.4	126	163	-62.5	172.5	179.9	175.6	0	119
174	E	28.3	Very low	32.3	Very low	181 Å²	181	156 Å²	156	85%	0.846	79%	0.792	S	S	*	*				-158.5	-165	102.1	-103.9	-160.1	142.6	0	0	113.1
175	K	27.2	Very low	31.6	Very low	188 Å²	188	154.9 Å²	154.9	82%	0.817	79%	0.794	S	S	*	*			trans	-110	162.7	-139.6	-68.3	172.7	-178.9	164.2	0	118.8
176	L	26.6	Very low	31	Very low	165 Å²	165	153.8 Å²	153.8	86%	0.864	80%	0.8	S	S	*	*			trans	-69.2	179.4	164.3	-81.9	163.2	0	0	0	113.1
177	P	39.5	Very low	30.2	Very low	131 Å²	131	154.4 Å²	154.4	85%	0.851	81%	0.807	S	S	*	*			cis	-145.2	-177.5	23	42.9	-22.1	0	0	0	118.9
178	G	25	Very low	29.2	Very low	81 Å²	81	154.5 Å²	154.5	84%	0.835	81%	0.813	S	S	*	*			trans	179.5	98	171	0	0	0	0	0	119.3
179	K	26.6	Very low	29.4	Very low	206 Å²	206	151.6 Å²	151.6	90%	0.896	81%	0.806	S	S	*	*			trans	-45	128.8	-177.7	-73.3	174.4	174.4	177.1	0	122.7
180	S	26.2	Very low	28.8	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	80%	0.804	S	S	*	*				39.2	139.5	125.4	70.6	0	0	0	0	126.1
181	K	25.1	Very low	28.2	Very low	216 Å²	216	144 Å²	144	94%	0.939	80%	0.799	S	S	*	*				-169.1	164.4	125.2	-108.9	174.8	-177.5	-178.9	0	113.7
182	A	27.6	Very low	28	Very low	97 Å²	97	142.1 Å²	142.1	80%	0.802	79%	0.794	S	S	*	*			trans	-109.2	-174.1	179.7	0	0	0	0	0	111.5
183	S	28.3	Very low	27.7	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	79%	0.793	S	S	*	*			cis	-158.1	-159.9	19.2	55.5	0	0	0	0	109.4
184	R	27.5	Very low	27.5	Very low	233 Å²	233	142.2 Å²	142.2	88%	0.879	79%	0.789	S	S	*	*			cis	-150.4	-82.6	13.2	-159.7	-177.4	-177.5	167.3	0.7	116.4
185	S	27.1	Very low	27.4	Very low	91 Å²	91	141.8 Å²	141.8	64%	0.636	78%	0.784	S	S	*	*			trans	-167.7	178.1	-159.2	61.2	0	0	0	0	110.7
186	S	26.7	Very low	27.2	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	78%	0.776	S	S	*	*			cis	-157.7	-178	19.5	-37.2	0	0	0	0	109.1
187	L	25.8	Very low	27.1	Very low	157 Å²	157	137.3 Å²	137.3	82%	0.822	77%	0.772	S	S	*	*			cis	-152.1	-130	-8.3	-136.3	172.5	0	0	0	111.5
188	M	23	Very low	26.4	Very low	166 Å²	166	136.2 Å²	136.2	82%	0.818	77%	0.768	S	S	*	*			trans	-156.7	-160.8	-165.2	-75.1	-75.7	-134.2	0	0	109.2
189	P	42.4	Very low	26.4	Very low	101 Å²	101	137 Å²	137	66%	0.656	76%	0.76	S	S	*	*			cis	-146.6	-179.2	-1	36.7	-12.6	0	0	0	120
190	T	24.9	Very low	26.4	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	76%	0.758	S	S	*	*			trans	69.9	157.5	144.9	36.9	0	0	0	0	122.5
191	S	23	Very low	26.3	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	76%	0.757	S	S	*	*			cis	-164	135.2	-2.5	36.8	0	0	0	0	116.7
192	T	25.3	Very low	26.5	Very low	119 Å²	119	132.1 Å²	132.1	73%	0.73	75%	0.753	S	S	*	*			trans	26	122.3	142.5	52.9	0	0	0	0	127.8
193	T	25.8	Very low	26.5	Very low	116 Å²	116	136.9 Å²	136.9	71%	0.712	76%	0.756	S	S	*	*				62.4	-179.2	129.5	70.5	0	0	0	0	121.4
194	Y	26.3	Very low	26.3	Very low	195 Å²	195	142.9 Å²	142.9	77%	0.765	76%	0.762	S	S	*	*			cis	-164.6	142.7	10.2	-132.6	-21	0	0	0	116.8
195	K	25.6	Very low	26.2	Very low	171 Å²	171	143.2 Å²	143.2	74%	0.743	76%	0.763	S	S	*	*			trans	69.8	141.7	133.4	-136.4	-178.1	-174.6	-178.6	0	124.9
196	T	23.1	Very low	26	Very low	106 Å²	106	142.5 Å²	142.5	65%	0.65	77%	0.77	S	S	*	*			trans	123.7	108.6	131	-48.5	0	0	0	0	122.6
197	I	24.6	Very low	25.8	Very low	154 Å²	154	141.2 Å²	141.2	79%	0.79	77%	0.772	S	S	*	*			trans	78.3	145.2	139.3	-71	174	0	0	0	126.4
198	S	24.6	Very low	25.8	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	77%	0.773	S	S	*	*			trans	68.4	160.2	154.8	69.5	0	0	0	0	123.8
199	S	25.3	Very low	26	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	77%	0.774	S	S	*	*			cis	-172.2	162.7	-38.7	65.7	0	0	0	0	114.2
200	T	25	Very low	25.1	Very low	139 Å²	139	144.4 Å²	144.4	85%	0.853	78%	0.784	S	S	*	*			trans	68.4	162.9	161.5	68.2	0	0	0	0	120.7
201	A	25.9	Very low	25.1	Very low	85 Å²	85	142.6 Å²	142.6	70%	0.702	78%	0.776	S	S	*	*			cis	-174.4	144.1	-38.2	0	0	0	0	0	113.7
202	K	28.2	Very low	25.2	Very low	200 Å²	200	145.1 Å²	145.1	87%	0.87	78%	0.782	S	S	*	*			trans	174.8	128.7	152.2	-96.7	154.4	-175.8	177.3	0	108.4
203	K	27.1	Very low	25.2	Very low	198 Å²	198	148.1 Å²	148.1	86%	0.861	79%	0.787	S	S	*	*				65.2	133.2	59.4	-74.6	-177.7	177.6	174	0	112.9
204	R	24.3	Very low	25.2	Very low	236 Å²	236	150.6 Å²	150.6	89%	0.891	80%	0.795	S	S	*	*			cis	-150.9	175.8	7.7	-101.8	177.9	168.8	175.7	-3.7	108.2
205	R	25.5	Very low	25.1	Very low	241 Å²	241	152.5 Å²	152.5	91%	0.909	80%	0.8	S	S	*	*			cis	177.8	100.2	-38.6	178.9	-133.2	-178.5	-157.3	3.6	111.1
206	G	23.9	Very low	25.6	Very low	76 Å²	76	149.5 Å²	149.5	78%	0.784	80%	0.798	S	S	*	*			trans	160.2	143	169.9	0	0	0	0	0	112.2
207	G	23.1	Very low	25.6	Very low	74 Å²	74	149.5 Å²	149.5	76%	0.763	80%	0.803	S	S	*	*			cis	81.6	132.4	7.8	0	0	0	0	0	112.1
208	T	25.4	Very low	25.7	Very low	137 Å²	137	148.3 Å²	148.3	84%	0.84	80%	0.803	S	S	*	*			cis	-160.4	149.5	16.7	-32.3	0	0	0	0	106.4
209	K	25.8	Very low	25.8	Very low	192 Å²	192	148.9 Å²	148.9	84%	0.835	81%	0.807	S	S	*	*				-176.9	142.8	71.2	-101	-171.8	-179.6	-173.7	0	112
210	L	23.7	Very low	25.9	Very low	163 Å²	163	149.5 Å²	149.5	85%	0.853	81%	0.811	S	S	*	*				-86.3	168.4	128.2	-65.3	96.1	0	0	0	106.7
211	S	26.3	Very low	25.9	Very low	90 Å²	90	147.6 Å²	147.6	63%	0.629	81%	0.809	S	S	*	*			cis	-156.9	177.1	24.2	41	0	0	0	0	109.7
212	D	25.3	Very low	25.9	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	82%	0.815	S	S	*	*				-177.8	162.9	106.2	-84.4	-14.4	0	0	0	112
213	E	25.3	Very low	25.7	Very low	181 Å²	181	143 Å²	143	85%	0.846	81%	0.809	S	S	*	*			trans	-95.6	164	-172.9	-56.5	176.5	109.9	0	0	111.8
214	I	25.6	Very low	25.7	Very low	168 Å²	168	139.8 Å²	139.8	86%	0.862	81%	0.805	S	S	*	*				-179.7	143.8	117.1	-91	155.5	0	0	0	110
215	R	23.7	Very low	25.7	Very low	235 Å²	235	134.1 Å²	134.1	89%	0.887	80%	0.797	S	S	*	*			trans	-124	153.1	174.1	-112.9	-178	-176.2	-178.7	2.9	107.1
216	P	35.2	Very low	25.6	Very low	108 Å²	108	128.5 Å²	128.5	70%	0.701	79%	0.79	S	S	*	*				-153	164.8	89.7	39.6	-21.2	0	0	0	117.9
217	S	24.4	Very low	25.6	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	79%	0.789	S	S	*	*			trans	74.9	144.5	134.1	67.2	0	0	0	0	120.9
218	V	25.9	Very low	25.6	Very low	130 Å²	130	130 Å²	130	79%	0.788	79%	0.788	S	S	*	*			cis	-135.8	157.7	-2.5	-171.9	0	0	0	0	110.5
219	S	27.2	Very low	25.6	Very low	120 Å²	120	130 Å²	130	84%	0.839	79%	0.788	S	S	*	*			trans	110.6	137.7	151.7	77.6	0	0	0	0	118.7
220	S	26.6	Very low	25.5	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	79%	0.79	S	S	*	*			trans	-94.8	138.7	-174.2	46.6	0	0	0	0	111.8
221	A	26.1	Very low	25.5	Very low	99 Å²	99	124.8 Å²	124.8	82%	0.818	79%	0.789	S	S	*	*			cis	83.1	110.3	43.7	0	0	0	0	0	115.2
222	A	25.2	Very low	25.4	Very low	100 Å²	100	130.4 Å²	130.4	83%	0.826	80%	0.802	S	S	*	*			trans	177.4	146.4	130.8	0	0	0	0	0	115.1
223	A	24.2	Very low	25.3	Very low	89 Å²	89	128.1 Å²	128.1	74%	0.736	80%	0.804	S	S	*	*			trans	72.7	99.9	143.1	0	0	0	0	0	124.3
224	V	26.3	Very low	25.3	Very low	129 Å²	129	124.2 Å²	124.2	78%	0.782	80%	0.802	S	S	*	*				66.8	101.7	106.8	174.5	0	0	0	0	121.8
225	T	24.7	Very low	25.1	Very low	117 Å²	117	125.3 Å²	125.3	72%	0.718	80%	0.804	S	S	*	*			trans	60	147.6	134.1	68.5	0	0	0	0	125.9
226	T	24.4	Very low	25.1	Very low	124 Å²	124	118.5 Å²	118.5	76%	0.761	80%	0.798	S	S	*	*			trans	74.6	103.6	146	41.8	0	0	0	0	122.2
227	A	24	Very low	24.5	Very low	94 Å²	94	120.8 Å²	120.8	78%	0.777	80%	0.804	S	S	*	*				56.5	128.5	118.2	0	0	0	0	0	123
228	A	23.4	Very low	24.5	Very low	88 Å²	88	124.5 Å²	124.5	73%	0.727	81%	0.806	S	S	*	*			trans	84.8	123.9	144.3	0	0	0	0	0	121
229	T	24.2	Very low	24.4	Very low	137 Å²	137	125 Å²	125	84%	0.84	81%	0.81	S	S	*	*			trans	55.8	111.9	151.2	55.5	0	0	0	0	119.6
230	S	23.5	Very low	24.2	Very low	126 Å²	126	124.4 Å²	124.4	88%	0.881	81%	0.806	S	S	*	*				-170.4	154.3	98.1	49.5	0	0	0	0	112.5
231	S	23.8	Very low	24.1	Very low	119 Å²	119	128 Å²	128	83%	0.832	81%	0.808	S	S	*	*			trans	-140.3	131.2	163.9	52.6	0	0	0	0	108.9
232	K	24.7	Very low	23.9	Very low	208 Å²	208	131.2 Å²	131.2	90%	0.904	81%	0.806	S	S	*	*			trans	-163.2	162.8	176.2	-125.8	-172.7	-179.1	-169.4	0	111
233	A	23.7	Very low	23.8	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	81%	0.805	S	S	*	*			trans	67.5	148.9	-166.5	0	0	0	0	0	113.5
234	A	23.7	Very low	23.8	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	81%	0.81	S	S	*	*			cis	-119.8	163.8	2.8	0	0	0	0	0	113.1
235	E	22.2	Very low	23.6	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	82%	0.816	S	S	*	*			trans	-87.2	154.7	171	-61.4	165.6	101.9	0	0	110.9
236	A	23.6	Very low	23.5	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	81%	0.814	S	S	*	*				171.7	132.7	115.9	0	0	0	0	0	112.3
237	L	23.1	Very low	23.4	Very low	156 Å²	156	147.3 Å²	147.3	82%	0.817	82%	0.818	S	S	*	*				172.8	170.8	96.6	-145.3	94.9	0	0	0	110.6
238	K	24.4	Very low	23.3	Very low	184 Å²	184	152.3 Å²	152.3	80%	0.8	82%	0.822	S	S	*	*			trans	76	134.2	176.3	-58.4	177.5	-178.3	176.6	0	114.2
239	T	22.8	Very low	23.2	Very low	140 Å²	140	152.9 Å²	152.9	86%	0.859	82%	0.821	S	S	*	*			cis	-159.4	142.8	9.5	2.4	0	0	0	0	113.4
240	S	23.2	Very low	23.1	Very low	108 Å²	108	155.6 Å²	155.6	76%	0.755	82%	0.821	S	S	*	*			trans	-170.3	163.6	152.1	86.9	0	0	0	0	108.6
241	K	24.8	Very low	23.1	Very low	185 Å²	185	156.1 Å²	156.1	80%	0.804	82%	0.819	S	S	*	*			cis	-171.2	137.7	-3.2	-133.3	173.5	-176.3	174.8	0	109.2
242	Q	22.3	Very low	23.1	Very low	165 Å²	165	156 Å²	156	77%	0.771	82%	0.817	S	S	*	*			trans	173.3	155.5	159.6	-132.1	67.2	-58.7	0	0	108.8
243	K	23.6	Very low	23	Very low	187 Å²	187	153.9 Å²	153.9	81%	0.813	82%	0.816	S	S	*	*			cis	-148.6	170	-44.6	-114.1	-178.7	-179.3	175.4	0	108.7
244	R	23	Very low	23.1	Very low	225 Å²	225	157.7 Å²	157.7	85%	0.849	81%	0.813	S	S	*	*			trans	-82.1	159.9	175.5	-61.4	176.1	175.9	169.8	-4.4	113.5
245	R	21.5	Very low	23.3	Very low	241 Å²	241	159.7 Å²	159.7	91%	0.909	81%	0.81	S	S	*	*				-154.3	171.4	125.4	-122.9	175.5	-179.1	174.9	0.7	112.3
246	D	23.5	Very low	23.4	Very low	124 Å²	124	154.9 Å²	154.9	66%	0.663	80%	0.804	S	S	*	*			trans	-117.6	155.6	-148.5	-39.9	-97.3	0	0	0	114.6
247	S	23.1	Very low	23.5	Very low	121 Å²	121	156.2 Å²	156.2	85%	0.846	80%	0.803	S	S	*	*			trans	-161.9	104.7	154.7	38.8	0	0	0	0	116.2
248	K	22.2	Very low	23.7	Very low	198 Å²	198	156.5 Å²	156.5	86%	0.861	81%	0.805	S	S	*	*			trans	40.8	102.7	136.8	-70.7	-176.6	175.9	179.5	0	123.2
249	S	20.7	Very low	24	Very low	101 Å²	101	156.6 Å²	156.6	71%	0.706	81%	0.805	S	S	*	*				47.8	119.7	113.7	67.7	0	0	0	0	123.6
250	K	22.7	Very low	24.3	Very low	194 Å²	194	155 Å²	155	84%	0.843	80%	0.797	S	S	*	*				173	121.5	109.8	-94.3	-177.4	177.4	-174.5	0	109.6
251	V	22.6	Very low	25	Very low	137 Å²	137	157.4 Å²	157.4	83%	0.83	80%	0.796	S	S	*	*				72	104.5	83.4	175.1	0	0	0	0	114.7
252	S	23	Very low	25.8	Very low	115 Å²	115	155.8 Å²	155.8	80%	0.804	80%	0.797	S	S	*	*				-170.6	105.6	119.4	60.7	0	0	0	0	111.5
253	D	24.1	Very low	26.7	Very low	165 Å²	165	150 Å²	150	88%	0.882	78%	0.781	S	S	*	*			trans	-86	160.1	162	-83.6	-60.2	0	0	0	110.5
254	K	25.6	Very low	27.6	Very low	183 Å²	183	145 Å²	145	80%	0.796	76%	0.763	S	S	*	*			trans	-164.6	120.6	137.3	-110.3	-167.1	175.7	-170.2	0	112.7
255	D	26.6	Very low	28.7	Very low	140 Å²	140	140.1 Å²	140.1	75%	0.749	75%	0.753	S	S	*	*			trans	49.7	145.7	144.5	-47.9	-34.8	0	0	0	120.5
256	A	25.4	Very low	30.1	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	73%	0.732	S	S	*	*			cis	-139.6	149.3	11.1	0	0	0	0	0	114.3
257	T	24.9	Very low	31.5	Very low	120 Å²	120	132 Å²	132	74%	0.736	73%	0.732	S	S	*	*			trans	-28.8	132	162.4	-40.4	0	0	0	0	116.9
258	N	27.5	Very low	33.1	Very low	162 Å²	162	131.2 Å²	131.2	87%	0.866	72%	0.717	S	S	*	*				-162.1	132.8	125.6	-98.8	-21	0	0	0	111.1
259	K	31.1	Very low	34.7	Very low	186 Å²	186	128.7 Å²	128.7	81%	0.809	71%	0.708	S	S	*	*			trans	-107.3	141.6	170.4	-67.9	-179.6	177.9	177.8	0	108.8
260	P	30.1	Very low	36.7	Very low	105 Å²	105	127.4 Å²	127.4	68%	0.682	69%	0.691	S	S	*	*			trans	-71	151.8	147.8	8.6	8.1	0	0	0	109.3	D264	P260-D264 WeakPolarHBondContact CA-OD2 3.32Å; P260-D264 VanDerWaalsContact CB-OD2 3.23Å; P260-D264 WeakPolarHBondContact CB-OD2 3.43Å
261	E	37.3	Very low	38.3	Very low	159 Å²	159	122.9 Å²	122.9	74%	0.743	68%	0.675	S	S	*	*			trans	-92.5	161.8	-179.8	-62	-163.8	135.9	0	0	111.4	G263 D264	E261-G263 PolarHBondContact O-N 3.27Å; E261-D264 PolarHBondContact N-OD2 3.47Å; E261-D264 PolarHBondContact O-N 3.11Å
262	D	41.8	Very low	40	Very low	152 Å²	152	122.5 Å²	122.5	81%	0.813	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-4.6	-176.9	-137.8	15.1	0	0	0	113.2
263	G	41	Very low	41.8	Very low	43 Å²	43	122.3 Å²	122.3	44%	0.443	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-32.9	170.9	0	0	0	0	0	114.4	E261 L265 A266 E267	E261-G263 PolarHBondContact O-N 3.27Å; G263-L265 VanDerWaalsContact C-N 3.32Å; G263-L265 PolarHBondContact O-N 2.84Å; G263-A266 WeakPolarHBondContact O-CB 3.42Å; G263-A266 PolarHBondContact O-N 3.32Å; G263-A266 VanDerWaalsContact O-N 3.08Å; G263-E267 PolarHBondContact O-N 2.78Å
264	D	42.2	Very low	43.7	Very low	81 Å²	81	120.9 Å²	120.9	43%	0.433	63%	0.631	S	S	.	*	H	α-helix	trans	-63.3	-40	-174.1	-67.9	-37	0	0	0	111.5	P260 E261 A266 E267 I268	P260-D264 WeakPolarHBondContact CA-OD2 3.32Å; P260-D264 VanDerWaalsContact CB-OD2 3.23Å; P260-D264 WeakPolarHBondContact CB-OD2 3.43Å; E261-D264 PolarHBondContact N-OD2 3.47Å; E261-D264 PolarHBondContact O-N 3.11Å; D264-A266 VanDerWaalsContact C-N 3.32Å; D264-A266 PolarHBondContact O-N 3.25Å; D264-E267 PolarHBondContact O-N 3.37Å; D264-I268 WeakPolarHBondContact O-CB 3.48Å; D264-I268 WeakPolarHBondContact O-CD1 3.4Å; D264-I268 WeakPolarHBondContact O-CG1 3.21Å; D264-I268 PolarHBondContact O-N 3.47Å
265	L	46.2	Very low	45	Very low	123 Å²	123	117.9 Å²	117.9	64%	0.644	62%	0.624	S	S	*	*	H	α-helix	trans	-65.4	-35.6	176.4	-75.9	166.9	0	0	0	112.2	G263 E269	G263-L265 VanDerWaalsContact C-N 3.32Å; G263-L265 PolarHBondContact O-N 2.84Å; L265-E269 WeakPolarHBondContact O-CB 3.45Å; L265-E269 PolarHBondContact O-N 3.24Å
266	A	51.3	Low	46.2	Very low	57 Å²	57	115.1 Å²	115.1	47%	0.471	61%	0.609	S	S	.	*	H	α-helix	trans	-73	-40	177.5	0	0	0	0	0	111.9	G263 D264 E269 E270	G263-A266 WeakPolarHBondContact O-CB 3.42Å; G263-A266 PolarHBondContact O-N 3.32Å; G263-A266 VanDerWaalsContact O-N 3.08Å; D264-A266 VanDerWaalsContact C-N 3.32Å; D264-A266 PolarHBondContact O-N 3.25Å; A266-E269 PolarHBondContact O-N 2.99Å; A266-E270 WeakPolarHBondContact O-CB 3.41Å; A266-E270 PolarHBondContact O-N 3.13Å
267	E	52.4	Low	47.5	Very low	139 Å²	139	115.4 Å²	115.4	65%	0.65	59%	0.594	S	S	*	*	H	α-helix	trans	-66.3	-37	172.9	-72	-140.6	131.4	0	0	112.1	G263 D264 L271	G263-E267 PolarHBondContact O-N 2.78Å; D264-E267 PolarHBondContact O-N 3.37Å; E267-L271 WeakPolarHBondContact O-CB 3.39Å; E267-L271 WeakPolarHBondContact O-CG 3.44Å; E267-L271 PolarHBondContact O-N 3.13Å
268	I	55.5	Low	48.7	Very low	104 Å²	104	114.8 Å²	114.8	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-45.6	174.7	-71.2	165.7	0	0	0	111.4	D264 L271 E272	D264-I268 WeakPolarHBondContact O-CB 3.48Å; D264-I268 WeakPolarHBondContact O-CD1 3.4Å; D264-I268 WeakPolarHBondContact O-CG1 3.21Å; D264-I268 PolarHBondContact O-N 3.47Å; I268-L271 PolarHBondContact O-N 2.98Å; I268-E272 WeakPolarHBondContact O-CB 3.31Å; I268-E272 PolarHBondContact O-N 3.32Å
269	E	57.6	Low	49.5	Very low	144 Å²	144	109.1 Å²	109.1	67%	0.673	56%	0.559	S	S	*	*	H	α-helix	trans	-65.4	-40	177.6	-170.1	175.5	-151.4	0	0	111.6	L265 A266 K273	L265-E269 WeakPolarHBondContact O-CB 3.45Å; L265-E269 PolarHBondContact O-N 3.24Å; A266-E269 PolarHBondContact O-N 2.99Å; E269-K273 WeakPolarHBondContact O-CB 3.45Å; E269-K273 PolarHBondContact O-N 2.97Å
270	E	62.3	Low	50.1	Low	75 Å²	75	106.1 Å²	106.1	35%	0.35	55%	0.548	S	S	.	.	H	α-helix	trans	-66.2	-38.6	174.4	-179.7	72.3	-168.7	0	0	111.9	A266 R274	A266-E270 WeakPolarHBondContact O-CB 3.41Å; A266-E270 PolarHBondContact O-N 3.13Å; E270-R274 WeakPolarHBondContact O-CB 3.47Å; E270-R274 WeakPolarHBondContact O-CD 3.48Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 3.15Å; E270-R274 IonicContact OE1-CZ 3.63Å; E270-R274 IonicContact OE1-NE 3.93Å; E270-R274 PolarHBondContact OE1-NE 2.88Å; E270-R274 IonicContact OE1-NH2 2.71Å; E270-R274 PolarHBondContact OE1-NH2 3.13Å
271	L	56.6	Low	50.6	Low	98 Å²	98	107 Å²	107	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-67.4	-46.5	174	-85.8	164.6	0	0	0	112.4	E267 I268 K273 R274 L275	E267-L271 WeakPolarHBondContact O-CB 3.39Å; E267-L271 WeakPolarHBondContact O-CG 3.44Å; E267-L271 PolarHBondContact O-N 3.13Å; I268-L271 PolarHBondContact O-N 2.98Å; L271-K273 VanDerWaalsContact C-N 3.28Å; L271-K273 PolarHBondContact O-N 3.25Å; L271-R274 PolarHBondContact O-N 3.4Å; L271-L275 WeakPolarHBondContact O-CB 3.35Å; L271-L275 PolarHBondContact O-N 3.11Å
272	E	56.8	Low	50.6	Low	130 Å²	130	107.8 Å²	107.8	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-37.5	178.4	-172.4	173.6	-126.9	0	0	111	I268 L275 N276	I268-E272 WeakPolarHBondContact O-CB 3.31Å; I268-E272 PolarHBondContact O-N 3.32Å; E272-L275 PolarHBondContact O-N 3.37Å; E272-N276 WeakPolarHBondContact O-CB 3.43Å; E272-N276 PolarHBondContact O-N 3.21Å; E272-N276 PolarHBondContact O-ND2 3.46Å
273	K	61.8	Low	50.6	Low	110 Å²	110	105.5 Å²	105.5	48%	0.478	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-46.2	172.8	-175.9	179.1	174.3	-165.5	0	112.4	E269 L271 L275 N276 E277	E269-K273 WeakPolarHBondContact O-CB 3.45Å; E269-K273 PolarHBondContact O-N 2.97Å; L271-K273 VanDerWaalsContact C-N 3.28Å; L271-K273 PolarHBondContact O-N 3.25Å; K273-L275 VanDerWaalsContact C-N 3.33Å; K273-L275 PolarHBondContact O-N 3.48Å; K273-N276 PolarHBondContact O-N 2.98Å; K273-E277 WeakPolarHBondContact O-CG 3.45Å; K273-E277 PolarHBondContact O-N 2.69Å
274	R	63.8	Low	50.2	Low	135 Å²	135	107.4 Å²	107.4	51%	0.509	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-37.2	173.8	-73	168.6	-173.7	-176.3	8.7	112.1	E270 L271 E277 Q278	E270-R274 WeakPolarHBondContact O-CB 3.47Å; E270-R274 WeakPolarHBondContact O-CD 3.48Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 3.15Å; E270-R274 IonicContact OE1-CZ 3.63Å; E270-R274 IonicContact OE1-NE 3.93Å; E270-R274 PolarHBondContact OE1-NE 2.88Å; E270-R274 IonicContact OE1-NH2 2.71Å; E270-R274 PolarHBondContact OE1-NH2 3.13Å; L271-R274 PolarHBondContact O-N 3.4Å; R274-E277 PolarHBondContact O-N 3.09Å; R274-Q278 WeakPolarHBondContact O-CB 3.49Å; R274-Q278 WeakPolarHBondContact O-CG 3.33Å; R274-Q278 PolarHBondContact O-N 3.43Å
275	L	53.4	Low	49.8	Very low	121 Å²	121	108.9 Å²	108.9	63%	0.634	54%	0.539	S	S	*	.	H	α-helix	trans	-63.5	-45.1	172.9	-120	78.9	0	0	0	111.4	L271 E272 K273 Q278 A279	L271-L275 WeakPolarHBondContact O-CB 3.35Å; L271-L275 PolarHBondContact O-N 3.11Å; E272-L275 PolarHBondContact O-N 3.37Å; K273-L275 VanDerWaalsContact C-N 3.33Å; K273-L275 PolarHBondContact O-N 3.48Å; L275-Q278 PolarHBondContact O-N 3.12Å; L275-A279 VanDerWaalsContact O-CB 3.25Å; L275-A279 WeakPolarHBondContact O-CB 3.2Å; L275-A279 PolarHBondContact O-N 2.85Å
276	N	51.4	Low	49.2	Very low	81 Å²	81	104.9 Å²	104.9	43%	0.433	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-41.7	176.6	-87	-74.4	0	0	0	112.2	E272 K273 A279 Q280	E272-N276 WeakPolarHBondContact O-CB 3.43Å; E272-N276 PolarHBondContact O-N 3.21Å; E272-N276 PolarHBondContact O-ND2 3.46Å; K273-N276 PolarHBondContact O-N 2.98Å; N276-A279 PolarHBondContact O-N 3.28Å; N276-Q280 WeakPolarHBondContact O-CB 3.29Å; N276-Q280 WeakPolarHBondContact O-CG 3.37Å; N276-Q280 PolarHBondContact O-N 3.16Å
277	E	53.1	Low	48.3	Very low	99 Å²	99	104.8 Å²	104.8	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-42.5	176.3	-73	178.7	-170.3	0	0	111.8	K273 R274 Q280 Q281	K273-E277 WeakPolarHBondContact O-CG 3.45Å; K273-E277 PolarHBondContact O-N 2.69Å; R274-E277 PolarHBondContact O-N 3.09Å; E277-Q280 PolarHBondContact O-N 3.05Å; E277-Q281 WeakPolarHBondContact O-CB 3.25Å; E277-Q281 WeakPolarHBondContact O-CG 3.36Å; E277-Q281 PolarHBondContact O-N 2.78Å
278	Q	49.3	Very low	47.1	Very low	107 Å²	107	104 Å²	104	50%	0.5	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-38.9	173.2	-73.7	-169.3	17.3	0	0	112.7	R274 L275 Q281 R282	R274-Q278 WeakPolarHBondContact O-CB 3.49Å; R274-Q278 WeakPolarHBondContact O-CG 3.33Å; R274-Q278 PolarHBondContact O-N 3.43Å; L275-Q278 PolarHBondContact O-N 3.12Å; Q278-Q281 PolarHBondContact O-N 3.35Å; Q278-R282 WeakPolarHBondContact O-CG 3.36Å; Q278-R282 PolarHBondContact O-N 2.86Å
279	A	45	Very low	45.8	Very low	43 Å²	43	105.2 Å²	105.2	36%	0.355	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-45.9	174.7	0	0	0	0	0	110.9	L275 N276 Q281 R282 I283	L275-A279 VanDerWaalsContact O-CB 3.25Å; L275-A279 WeakPolarHBondContact O-CB 3.2Å; L275-A279 PolarHBondContact O-N 2.85Å; N276-A279 PolarHBondContact O-N 3.28Å; A279-Q281 PolarHBondContact O-N 2.85Å; A279-R282 PolarHBondContact O-N 3.4Å; A279-I283 WeakPolarHBondContact O-CB 3.32Å; A279-I283 WeakPolarHBondContact O-CD1 3.39Å; A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 2.73Å
280	Q	43.8	Very low	44.7	Very low	122 Å²	122	105.8 Å²	105.8	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-38.7	175.8	-72.6	173.1	26.5	0	0	112	N276 E277 I283 C284	N276-Q280 WeakPolarHBondContact O-CB 3.29Å; N276-Q280 WeakPolarHBondContact O-CG 3.37Å; N276-Q280 PolarHBondContact O-N 3.16Å; E277-Q280 PolarHBondContact O-N 3.05Å; Q280-I283 PolarHBondContact O-N 2.93Å; Q280-C284 WeakPolarHBondContact O-CB 3.44Å; Q280-C284 PolarHBondContact O-N 3.5Å
281	Q	39	Very low	43.1	Very low	123 Å²	123	109.1 Å²	109.1	58%	0.575	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-45.3	174.4	-74.2	179.3	9.5	0	0	112.6	E277 Q278 A279 I283 C284 L285	E277-Q281 WeakPolarHBondContact O-CB 3.25Å; E277-Q281 WeakPolarHBondContact O-CG 3.36Å; E277-Q281 PolarHBondContact O-N 2.78Å; Q278-Q281 PolarHBondContact O-N 3.35Å; A279-Q281 PolarHBondContact O-N 2.85Å; Q281-I283 VanDerWaalsContact C-N 3.32Å; Q281-I283 PolarHBondContact O-N 3.43Å; Q281-C284 PolarHBondContact O-N 2.8Å; Q281-L285 WeakPolarHBondContact O-CB 3.12Å; Q281-L285 WeakPolarHBondContact O-CG 3.21Å; Q281-L285 PolarHBondContact O-N 2.84Å
282	R	38.7	Very low	41.8	Very low	176 Å²	176	110.7 Å²	110.7	66%	0.664	53%	0.53	S	S	*	.	H	α-helix	trans	-63.7	-36.2	174.9	-70.5	-177.5	-169.2	-176.9	6.8	112.2	Q278 A279 S286	Q278-R282 WeakPolarHBondContact O-CG 3.36Å; Q278-R282 PolarHBondContact O-N 2.86Å; A279-R282 PolarHBondContact O-N 3.4Å; R282-S286 WeakPolarHBondContact O-CB 3.45Å; R282-S286 PolarHBondContact O-N 3.21Å; R282-S286 VanDerWaalsContact O-N 3.07Å; R282-S286 PolarHBondContact O-OG 3.36Å
283	I	40.6	Very low	40.4	Very low	105 Å²	105	109.3 Å²	109.3	54%	0.538	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-48.6	172.6	-70.7	164.8	0	0	0	110	A279 Q280 Q281 S286 T287	A279-I283 WeakPolarHBondContact O-CB 3.32Å; A279-I283 WeakPolarHBondContact O-CD1 3.39Å; A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 2.73Å; Q280-I283 PolarHBondContact O-N 2.93Å; Q281-I283 VanDerWaalsContact C-N 3.32Å; Q281-I283 PolarHBondContact O-N 3.43Å; I283-S286 PolarHBondContact O-OG 2.92Å; I283-T287 WeakPolarHBondContact O-CB 3.34Å; I283-T287 PolarHBondContact O-N 3.4Å; I283-T287 PolarHBondContact O-OG1 3.38Å
284	C	33.6	Very low	38.9	Very low	83 Å²	83	106.7 Å²	106.7	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-59.9	-47.8	178	-91.9	0	0	0	0	113	Q280 Q281 T287 M288	Q280-C284 WeakPolarHBondContact O-CB 3.44Å; Q280-C284 PolarHBondContact O-N 3.5Å; Q281-C284 PolarHBondContact O-N 2.8Å; C284-T287 PolarHBondContact O-N 3.47Å; C284-M288 PolarHBondContact O-N 2.83Å
285	L	34.3	Very low	37.5	Very low	112 Å²	112	101.9 Å²	101.9	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-63	-55.8	179.8	-71.2	168.8	0	0	0	111.2	Q281 T287 M288 E289	Q281-L285 WeakPolarHBondContact O-CB 3.12Å; Q281-L285 WeakPolarHBondContact O-CG 3.21Å; Q281-L285 PolarHBondContact O-N 2.84Å; L285-T287 PolarHBondContact O-N 2.87Å; L285-T287 VanDerWaalsContact O-N 3.12Å; L285-M288 PolarHBondContact O-N 3.44Å; L285-E289 PolarHBondContact O-N 3.45Å
286	S	32.6	Very low	36.7	Very low	38 Å²	38	100.7 Å²	100.7	27%	0.266	50%	0.504	S	S	.	.	H	α-helix	trans	-67.1	-15.1	178.8	71.1	0	0	0	0	113.6	R282 I283 R290	R282-S286 WeakPolarHBondContact O-CB 3.45Å; R282-S286 PolarHBondContact O-N 3.21Å; R282-S286 VanDerWaalsContact O-N 3.07Å; R282-S286 PolarHBondContact O-OG 3.36Å; I283-S286 PolarHBondContact O-OG 2.92Å; S286-R290 WeakPolarHBondContact O-CB 3.37Å; S286-R290 WeakPolarHBondContact O-CG 2.78Å; S286-R290 PolarHBondContact O-N 2.89Å; S286-R290 PolarHBondContact O-NE 2.98Å; S286-R290 PolarHBondContact OG-NH2 2.92Å
287	T	33.1	Very low	36.5	Very low	55 Å²	55	104.3 Å²	104.3	34%	0.337	51%	0.511	S	S	.	.	H	α-helix	trans	-82.7	-43.1	169.5	-61	0	0	0	0	111	I283 C284 L285 R290 F291	I283-T287 WeakPolarHBondContact O-CB 3.34Å; I283-T287 PolarHBondContact O-N 3.4Å; I283-T287 PolarHBondContact O-OG1 3.38Å; C284-T287 PolarHBondContact O-N 3.47Å; L285-T287 PolarHBondContact O-N 2.87Å; L285-T287 VanDerWaalsContact O-N 3.12Å; T287-R290 PolarHBondContact O-N 3.26Å; T287-F291 HydrophobicContact CG2-CD2 3.68Å; T287-F291 HydrophobicContact CG2-CE2 3.88Å; T287-F291 WeakPolarHBondContact O-CB 3.48Å; T287-F291 WeakPolarHBondContact O-CD2 3.37Å; T287-F291 PolarHBondContact O-N 2.87Å
288	M	27.3	Very low	36.7	Very low	123 Å²	123	102.5 Å²	102.5	61%	0.606	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-43.1	177.3	-79	-163.5	67.5	0	0	112.4	C284 L285 F291 Q292	C284-M288 PolarHBondContact O-N 2.83Å; L285-M288 PolarHBondContact O-N 3.44Å; M288-F291 PolarHBondContact O-N 2.89Å; M288-Q292 PolarHBondContact O-N 2.95Å
289	E	28.1	Very low	37.1	Very low	129 Å²	129	100.5 Å²	100.5	60%	0.603	51%	0.508	S	S	*	.	H	α-helix	trans	-62.3	-48.8	175.7	-67.9	171.8	149.2	0	0	110.7	L285 F291 Q292 E293	L285-E289 PolarHBondContact O-N 3.45Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 3.42Å; E289-Q292 PolarHBondContact O-N 3.07Å; E289-Q292 VanDerWaalsContact O-N 3.17Å; E289-E293 PolarHBondContact O-N 3.48Å
290	R	34.3	Very low	38.1	Very low	157 Å²	157	100.2 Å²	100.2	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-62.2	-30.9	173.7	-80.1	-177.3	-79.3	-166	-7	113.4	S286 T287 S294	S286-R290 WeakPolarHBondContact O-CB 3.37Å; S286-R290 WeakPolarHBondContact O-CG 2.78Å; S286-R290 PolarHBondContact O-N 2.89Å; S286-R290 PolarHBondContact O-NE 2.98Å; S286-R290 PolarHBondContact OG-NH2 2.92Å; T287-R290 PolarHBondContact O-N 3.26Å; R290-S294 WeakPolarHBondContact O-CB 3.36Å; R290-S294 PolarHBondContact O-N 3.48Å; R290-S294 PolarHBondContact O-OG 2.93Å
291	F	29.2	Very low	39.6	Very low	144 Å²	144	96.9 Å²	96.9	63%	0.632	50%	0.496	S	S	*	.	H	α-helix	trans	-71.8	-36.1	174.2	-102	-97.5	0	0	0	112.5	T287 M288 E289 S294 S295	T287-F291 HydrophobicContact CG2-CD2 3.68Å; T287-F291 HydrophobicContact CG2-CE2 3.88Å; T287-F291 WeakPolarHBondContact O-CB 3.48Å; T287-F291 WeakPolarHBondContact O-CD2 3.37Å; T287-F291 PolarHBondContact O-N 2.87Å; M288-F291 PolarHBondContact O-N 2.89Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 3.42Å; F291-S294 WeakPolarHBondContact CA-OG 3.32Å; F291-S294 PolarHBondContact O-OG 2.78Å; F291-S295 VanDerWaalsContact O-CB 3.24Å; F291-S295 WeakPolarHBondContact O-CB 3.22Å; F291-S295 PolarHBondContact O-N 3.35Å; F291-S295 PolarHBondContact O-OG 2.93Å
292	Q	27.9	Very low	41.4	Very low	132 Å²	132	94.5 Å²	94.5	62%	0.617	49%	0.487	S	S	*	.	H	α-helix	trans	-73.5	-39.8	175.6	-72	-171.7	-8.3	0	0	112.1	M288 E289 S295 T296	M288-Q292 PolarHBondContact O-N 2.95Å; E289-Q292 PolarHBondContact O-N 3.07Å; E289-Q292 VanDerWaalsContact O-N 3.17Å; Q292-S295 PolarHBondContact O-OG 3.44Å; Q292-T296 WeakPolarHBondContact O-CG2 3.21Å; Q292-T296 PolarHBondContact O-N 3.26Å; Q292-T296 PolarHBondContact O-OG1 3.22Å
293	E	28.6	Very low	43.6	Very low	100 Å²	100	88.1 Å²	88.1	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-45.9	171.9	-69.3	-144.2	121.6	0	0	112.7	E289 T296 R297	E289-E293 PolarHBondContact O-N 3.48Å; E293-T296 PolarHBondContact O-OG1 2.91Å; E293-T296 VanDerWaalsContact O-OG1 3.07Å; E293-R297 WeakPolarHBondContact O-CB 3.36Å; E293-R297 VanDerWaalsContact O-CG 3.29Å; E293-R297 WeakPolarHBondContact O-CG 3.46Å; E293-R297 PolarHBondContact O-N 3.29Å; E293-R297 IonicContact OE1-CZ 3.55Å; E293-R297 IonicContact OE1-NH2 3.18Å; E293-R297 PolarHBondContact OE1-NH2 2.99Å; E293-R297 IonicContact OE2-CZ 3.45Å; E293-R297 IonicContact OE2-NH1 3.42Å; E293-R297 IonicContact OE2-NH2 2.87Å; E293-R297 PolarHBondContact OE2-NH2 2.95Å
294	S	30.9	Very low	45.9	Very low	55 Å²	55	85.8 Å²	85.8	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-69.1	-39.5	-178	57.7	0	0	0	0	112.7	R290 F291 T296 R297 S298	R290-S294 WeakPolarHBondContact O-CB 3.36Å; R290-S294 PolarHBondContact O-N 3.48Å; R290-S294 PolarHBondContact O-OG 2.93Å; F291-S294 WeakPolarHBondContact CA-OG 3.32Å; F291-S294 PolarHBondContact O-OG 2.78Å; S294-T296 PolarHBondContact O-N 2.79Å; S294-R297 PolarHBondContact O-N 2.7Å; S294-S298 WeakPolarHBondContact O-CB 3.5Å; S294-S298 PolarHBondContact O-N 3.42Å
295	S	33.6	Very low	48.5	Very low	35 Å²	35	84.6 Å²	84.6	25%	0.245	44%	0.44	C	S	.	.	H	α-helix	trans	-67	-34.4	177.9	57.4	0	0	0	0	113	F291 Q292 S299	F291-S295 VanDerWaalsContact O-CB 3.24Å; F291-S295 WeakPolarHBondContact O-CB 3.22Å; F291-S295 PolarHBondContact O-N 3.35Å; F291-S295 PolarHBondContact O-OG 2.93Å; Q292-S295 PolarHBondContact O-OG 3.44Å; S295-S299 WeakPolarHBondContact O-CB 3.38Å; S295-S299 PolarHBondContact O-N 2.93Å; S295-S299 VanDerWaalsContact O-N 3.1Å
296	T	36.9	Very low	51.1	Low	95 Å²	95	80.4 Å²	80.4	58%	0.583	42%	0.421	S	S	*	.	H	α-helix	trans	-75.5	-38.7	175	50.6	0	0	0	0	112.6	Q292 E293 S294 C300	Q292-T296 WeakPolarHBondContact O-CG2 3.21Å; Q292-T296 PolarHBondContact O-N 3.26Å; Q292-T296 PolarHBondContact O-OG1 3.22Å; E293-T296 PolarHBondContact O-OG1 2.91Å; E293-T296 VanDerWaalsContact O-OG1 3.07Å; S294-T296 PolarHBondContact O-N 2.79Å; T296-C300 PolarHBondContact O-N 3.05Å
297	R	47.3	Very low	53.9	Low	157 Å²	157	79 Å²	79	59%	0.592	41%	0.41	S	S	*	.	H	α-helix	trans	-65	-45.3	172.2	-70.3	176.8	-168.4	159	12.8	112	E293 S294 C300 A301	E293-R297 WeakPolarHBondContact O-CB 3.36Å; E293-R297 VanDerWaalsContact O-CG 3.29Å; E293-R297 WeakPolarHBondContact O-CG 3.46Å; E293-R297 PolarHBondContact O-N 3.29Å; E293-R297 IonicContact OE1-CZ 3.55Å; E293-R297 IonicContact OE1-NH2 3.18Å; E293-R297 PolarHBondContact OE1-NH2 2.99Å; E293-R297 IonicContact OE2-CZ 3.45Å; E293-R297 IonicContact OE2-NH1 3.42Å; E293-R297 IonicContact OE2-NH2 2.87Å; E293-R297 PolarHBondContact OE2-NH2 2.95Å; S294-R297 PolarHBondContact O-N 2.7Å; R297-C300 WeakPolarHBondContact O-CB 3.48Å; R297-C300 PolarHBondContact O-N 3.44Å; R297-C300 VanDerWaalsContact O-N 3.15Å; R297-A301 PolarHBondContact O-N 3.48Å
298	S	56.2	Low	56.7	Low	61 Å²	61	80.1 Å²	80.1	43%	0.427	41%	0.408	S	S	.	.	H	α-helix	trans	-56.4	-52.4	175.6	165	0	0	0	0	111.8	S294 C300 A301 D302	S294-S298 WeakPolarHBondContact O-CB 3.5Å; S294-S298 PolarHBondContact O-N 3.42Å; S298-C300 PolarHBondContact O-N 3.06Å; S298-C300 VanDerWaalsContact O-N 3.13Å; S298-A301 PolarHBondContact O-N 3.23Å; S298-A301 VanDerWaalsContact O-N 3.12Å; S298-D302 PolarHBondContact O-N 2.9Å
299	S	59.1	Low	59.8	Low	66 Å²	66	74.3 Å²	74.3	46%	0.462	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-21.8	179.4	-178.8	0	0	0	0	113.5	S295 I303	S295-S299 WeakPolarHBondContact O-CB 3.38Å; S295-S299 PolarHBondContact O-N 2.93Å; S295-S299 VanDerWaalsContact O-N 3.1Å; S299-I303 VanDerWaalsContact O-CD1 3.24Å; S299-I303 WeakPolarHBondContact O-CD1 3.3Å; S299-I303 VanDerWaalsContact O-CG1 3.31Å; S299-I303 WeakPolarHBondContact O-CG1 3.29Å
300	C	66.3	Low	62.9	Low	37 Å²	37	68.2 Å²	68.2	25%	0.25	35%	0.351	C	S	.	.	H	α-helix	trans	-80.4	-44.6	173.7	-173.8	0	0	0	0	111.2	T296 R297 S298 D302 I303 Q304 Q339	T296-C300 PolarHBondContact O-N 3.05Å; R297-C300 WeakPolarHBondContact O-CB 3.48Å; R297-C300 PolarHBondContact O-N 3.44Å; R297-C300 VanDerWaalsContact O-N 3.15Å; S298-C300 PolarHBondContact O-N 3.06Å; S298-C300 VanDerWaalsContact O-N 3.13Å; C300-D302 PolarHBondContact O-N 2.62Å; C300-I303 PolarHBondContact O-N 3.49Å; C300-Q304 WeakPolarHBondContact O-CG 3.29Å; C300-Q304 PolarHBondContact O-N 3.46Å; C300-Q304 PolarHBondContact SG-NE2 3.25Å; C300-Q304 VanDerWaalsContact SG-NE2 3.38Å; C300-Q339 PolarHBondContact SG-OE1 2.76Å
301	A	73.4	Confident	65.7	Low	52 Å²	52	60.8 Å²	60.8	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-41.8	175.1	0	0	0	0	0	112.3	R297 S298 I303 Q304 L305	R297-A301 PolarHBondContact O-N 3.48Å; S298-A301 PolarHBondContact O-N 3.23Å; S298-A301 VanDerWaalsContact O-N 3.12Å; A301-I303 VanDerWaalsContact C-N 3.3Å; A301-I303 PolarHBondContact O-N 3.29Å; A301-Q304 PolarHBondContact O-N 3.04Å; A301-L305 WeakPolarHBondContact O-CB 3.3Å; A301-L305 PolarHBondContact O-N 3.34Å
302	D	78.3	Confident	68.8	Low	72 Å²	72	54.5 Å²	54.5	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-41.1	175.5	-75.6	-40	0	0	0	112.3	S298 C300 S306	S298-D302 PolarHBondContact O-N 2.9Å; C300-D302 PolarHBondContact O-N 2.62Å; D302-S306 VanDerWaalsContact O-CB 3.26Å; D302-S306 WeakPolarHBondContact O-CB 3.5Å; D302-S306 PolarHBondContact O-N 3Å; D302-S306 PolarHBondContact O-OG 2.93Å
303	I	84	Confident	71.9	Confident	42 Å²	42	48.2 Å²	48.2	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-45.8	178.1	-66.9	165.4	0	0	0	110.4	S299 C300 A301 S306 I307 Q339 Y546	S299-I303 VanDerWaalsContact O-CD1 3.24Å; S299-I303 WeakPolarHBondContact O-CD1 3.3Å; S299-I303 VanDerWaalsContact O-CG1 3.31Å; S299-I303 WeakPolarHBondContact O-CG1 3.29Å; C300-I303 PolarHBondContact O-N 3.49Å; A301-I303 VanDerWaalsContact C-N 3.3Å; A301-I303 PolarHBondContact O-N 3.29Å; I303-S306 PolarHBondContact O-N 3.33Å; I303-I307 HydrophobicContact CG2-CD1 3.9Å; I303-I307 WeakPolarHBondContact O-CG1 3.39Å; I303-I307 PolarHBondContact O-N 3.32Å; I303-Q339 HydrophobicContact CG2-CB 4.15Å; I303-Q339 HydrophobicContact CG2-CG 4.23Å; I303-Y546 WeakPolarHBondContact CD1-OH 3.5Å
304	Q	88.5	Confident	75	Confident	57 Å²	57	43.4 Å²	43.4	27%	0.266	24%	0.244	S	C	.	.	H	α-helix	trans	-58.9	-48.3	176.8	-69.7	172.3	9.6	0	0	111.5	C300 A301 S306 I307 R308 Q339 T341 I344	C300-Q304 WeakPolarHBondContact O-CG 3.29Å; C300-Q304 PolarHBondContact O-N 3.46Å; C300-Q304 PolarHBondContact SG-NE2 3.25Å; C300-Q304 VanDerWaalsContact SG-NE2 3.38Å; A301-Q304 PolarHBondContact O-N 3.04Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-S306 PolarHBondContact O-N 3Å; Q304-I307 PolarHBondContact O-N 3.29Å; Q304-R308 WeakPolarHBondContact O-CB 3.23Å; Q304-R308 PolarHBondContact O-N 2.92Å; Q304-Q339 WeakPolarHBondContact CG-O 3.36Å; Q304-T341 HydrophobicContact CG-CG2 4.21Å; Q304-I344 HydrophobicContact CB-CD1 4.32Å
305	L	88.3	Confident	77.9	Confident	58 Å²	58	42.8 Å²	42.8	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-39.5	178	-174.4	61.3	0	0	0	111.8	A301 R308 C309 T653 P656	A301-L305 WeakPolarHBondContact O-CB 3.3Å; A301-L305 PolarHBondContact O-N 3.34Å; L305-R308 WeakPolarHBondContact O-CB 3.31Å; L305-R308 PolarHBondContact O-N 3.38Å; L305-C309 PolarHBondContact O-N 3.45Å; L305-C309 PolarHBondContact O-SG 3.03Å; L305-T653 HydrophobicContact CD1-CG2 3.54Å; L305-P656 HydrophobicContact CB-CG 4.32Å; L305-P656 HydrophobicContact CD2-CG 3.91Å; L305-P656 HydrophobicContact CG-CG 3.84Å
306	S	89.3	Confident	80.8	Confident	24 Å²	24	42.6 Å²	42.6	17%	0.168	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-34.5	177.5	-55.2	0	0	0	0	112.8	D302 I303 Q304 Y310 L548 P656	D302-S306 VanDerWaalsContact O-CB 3.26Å; D302-S306 WeakPolarHBondContact O-CB 3.5Å; D302-S306 PolarHBondContact O-N 3Å; D302-S306 PolarHBondContact O-OG 2.93Å; I303-S306 PolarHBondContact O-N 3.33Å; Q304-S306 VanDerWaalsContact C-N 3.34Å; Q304-S306 PolarHBondContact O-N 3Å; S306-Y310 WeakPolarHBondContact O-CB 3.33Å; S306-Y310 PolarHBondContact O-N 3.38Å; S306-L548 VanDerWaalsContact CB-CD1 3.4Å; S306-L548 WeakPolarHBondContact O-CD1 3.31Å; S306-P656 WeakPolarHBondContact OG-CG 3.47Å
307	I	91	Very high	83.4	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-44.4	170.2	-73	167.7	0	0	0	110.5	I303 Q304 Y310 L311 F326 Q339 L340 I344	I303-I307 HydrophobicContact CG2-CD1 3.9Å; I303-I307 WeakPolarHBondContact O-CG1 3.39Å; I303-I307 PolarHBondContact O-N 3.32Å; Q304-I307 PolarHBondContact O-N 3.29Å; I307-Y310 PolarHBondContact O-N 3.45Å; I307-L311 HydrophobicContact CG2-CD1 4.07Å; I307-L311 PolarHBondContact O-N 3.34Å; I307-L311 VanDerWaalsContact O-N 3.14Å; I307-F326 HydrophobicContact CG2-CE1 4.2Å; I307-Q339 HydrophobicContact CD1-CB 4.29Å; I307-L340 HydrophobicContact CD1-CD2 4.31Å; I307-L340 HydrophobicContact CG2-CD2 4.04Å; I307-I344 HydrophobicContact CB-CD1 4.3Å; I307-I344 HydrophobicContact CG2-CD1 3.88Å; I307-I344 HydrophobicContact CG2-CG1 4.3Å; I307-I344 HydrophobicContact CG2-CG2 3.87Å
308	R	92.3	Very high	85.5	Confident	79 Å²	79	35.5 Å²	35.5	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-52.8	178.3	-169.7	-173.5	161.7	155.9	-15.8	111.4	Q304 L305 Y310 L311 E312 I344 I347 T653	Q304-R308 WeakPolarHBondContact O-CB 3.23Å; Q304-R308 PolarHBondContact O-N 2.92Å; L305-R308 WeakPolarHBondContact O-CB 3.31Å; L305-R308 PolarHBondContact O-N 3.38Å; R308-Y310 VanDerWaalsContact C-N 3.27Å; R308-Y310 PolarHBondContact O-N 3.2Å; R308-L311 PolarHBondContact O-N 3.16Å; R308-E312 IonicContact CZ-OE1 3.56Å; R308-E312 IonicContact NE-OE1 3.4Å; R308-E312 PolarHBondContact NE-OE1 3.14Å; R308-E312 IonicContact NH2-OE1 3.91Å; R308-E312 PolarHBondContact NH2-OE1 2.86Å; R308-E312 WeakPolarHBondContact O-CG 3.18Å; R308-E312 PolarHBondContact O-N 3.2Å; R308-I344 HydrophobicContact CB-CG1 4.3Å; R308-I347 HydrophobicContact CG-CD1 3.66Å; R308-T653 HydrophobicContact CG-CG2 4.49Å; R308-T653 PolarHBondContact NE-OG1 3.17Å; R308-T653 PolarHBondContact NH2-OG1 3.14Å
309	C	92.8	Very high	87.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-35.3	179.1	-63.9	0	0	0	0	112.4	L305 A313 Y553 L659	L305-C309 PolarHBondContact O-N 3.45Å; L305-C309 PolarHBondContact O-SG 3.03Å; C309-A313 VanDerWaalsContact O-CB 3.26Å; C309-A313 WeakPolarHBondContact O-CB 3.19Å; C309-A313 PolarHBondContact O-N 3.3Å; C309-Y553 HydrophobicContact CB-CE1 4.28Å; C309-L659 HydrophobicContact CB-CD2 4.11Å
310	Y	93	Very high	88.8	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-44	178.2	-178.2	-87.4	0	0	0	111.8	S306 I307 R308 A313 C314 R322 F326 L548 N549 P552 Y553	S306-Y310 WeakPolarHBondContact O-CB 3.33Å; S306-Y310 PolarHBondContact O-N 3.38Å; I307-Y310 PolarHBondContact O-N 3.45Å; R308-Y310 VanDerWaalsContact C-N 3.27Å; R308-Y310 PolarHBondContact O-N 3.2Å; Y310-A313 PolarHBondContact O-N 2.99Å; Y310-C314 VanDerWaalsContact CE1-SG 3.56Å; Y310-C314 PolarHBondContact O-N 3.44Å; Y310-C314 PolarHBondContact O-SG 3.21Å; Y310-R322 WeakPolarHBondContact OH-CD 3.43Å; Y310-F326 HydrophobicContact CD1-CB 4.41Å; Y310-F326 AromaticContact CD1-CD1 3.43Å; Y310-F326 HydrophobicContact CD1-CD1 3.43Å; Y310-F326 VanDerWaalsContact CD1-CD1 3.43Å; Y310-F326 HydrophobicContact CD1-CD2 4.12Å; Y310-F326 AromaticContact CD1-CE1 3.58Å; Y310-F326 HydrophobicContact CD1-CE1 3.58Å; Y310-F326 HydrophobicContact CD1-CE2 4.25Å; Y310-F326 AromaticContact CD1-CG 3.72Å; Y310-F326 HydrophobicContact CD1-CG 3.72Å; Y310-F326 HydrophobicContact CD1-CZ 4.02Å; Y310-F326 HydrophobicContact CE1-CB 3.82Å; Y310-F326 AromaticContact CE1-CD1 3.69Å; Y310-F326 HydrophobicContact CE1-CD1 3.69Å; Y310-F326 AromaticContact CE1-CD2 3.71Å; Y310-F326 HydrophobicContact CE1-CD2 3.71Å; Y310-F326 HydrophobicContact CE1-CE1 4.17Å; Y310-F326 HydrophobicContact CE1-CE2 4.18Å; Y310-F326 AromaticContact CE1-CG 3.44Å; Y310-F326 HydrophobicContact CE1-CG 3.44Å; Y310-F326 VanDerWaalsContact CE1-CG 3.44Å; Y310-F326 HydrophobicContact CE1-CZ 4.41Å; Y310-F326 HydrophobicContact CG-CD1 4.49Å; Y310-F326 HydrophobicContact CG-CE1 4.25Å; Y310-F326 HydrophobicContact CG-CZ 4.44Å; Y310-L548 HydrophobicContact CD2-CD2 4.05Å; Y310-L548 HydrophobicContact CG-CD2 3.95Å; Y310-N549 HydrophobicContact CE2-CB 4.15Å; Y310-N549 VanDerWaalsContact CE2-O 3.29Å; Y310-N549 WeakPolarHBondContact CE2-O 3.31Å; Y310-P552 HydrophobicContact CD2-CG 4.11Å; Y310-P552 HydrophobicContact CE2-CG 3.57Å; Y310-Y553 WeakPolarHBondContact CA-OH 3.45Å; Y310-Y553 HydrophobicContact CD2-CE2 4.18Å; Y310-Y553 PolarHBondContact N-OH 3.09Å
311	L	93.1	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-43.5	176.5	-70.7	166	0	0	0	111.3	I307 R308 A313 C314 V315 S323 F326 L327 I344 I347	I307-L311 HydrophobicContact CG2-CD1 4.07Å; I307-L311 PolarHBondContact O-N 3.34Å; I307-L311 VanDerWaalsContact O-N 3.14Å; R308-L311 PolarHBondContact O-N 3.16Å; L311-A313 VanDerWaalsContact C-N 3.35Å; L311-A313 PolarHBondContact O-N 3.4Å; L311-C314 PolarHBondContact O-N 2.79Å; L311-V315 WeakPolarHBondContact O-CB 3.49Å; L311-V315 VanDerWaalsContact O-CG2 3.28Å; L311-V315 WeakPolarHBondContact O-CG2 3.34Å; L311-V315 PolarHBondContact O-N 3.41Å; L311-S323 WeakPolarHBondContact CD2-O 3.48Å; L311-S323 WeakPolarHBondContact CD2-OG 3.38Å; L311-F326 HydrophobicContact CD2-CD1 3.87Å; L311-F326 HydrophobicContact CG-CD1 4.14Å; L311-F326 HydrophobicContact CG-CE1 4.5Å; L311-L327 HydrophobicContact CD1-CD1 4.45Å; L311-L327 HydrophobicContact CD2-CB 4.21Å; L311-I344 HydrophobicContact CD1-CG2 3.66Å; L311-I347 HydrophobicContact CB-CD1 4.11Å; L311-I347 HydrophobicContact CB-CG2 4.12Å
312	E	93.1	Very high	90.7	Very high	12 Å²	12	34 Å²	34	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-39.2	176.1	-71.5	177.1	-178.3	0	0	112.2	R308 V315 F316 I347 T653	R308-E312 IonicContact CZ-OE1 3.56Å; R308-E312 IonicContact NE-OE1 3.4Å; R308-E312 PolarHBondContact NE-OE1 3.14Å; R308-E312 IonicContact NH2-OE1 3.91Å; R308-E312 PolarHBondContact NH2-OE1 2.86Å; R308-E312 WeakPolarHBondContact O-CG 3.18Å; R308-E312 PolarHBondContact O-N 3.2Å; E312-V315 PolarHBondContact O-N 3Å; E312-F316 WeakPolarHBondContact O-CB 3.48Å; E312-F316 PolarHBondContact O-N 3.07Å; E312-I347 HydrophobicContact CG-CD1 3.69Å; E312-I347 HydrophobicContact CG-CG1 4.1Å; E312-T653 PolarHBondContact OE1-OG1 2.78Å; E312-T653 WeakPolarHBondContact OE2-CB 3.42Å; E312-T653 PolarHBondContact OE2-OG1 3.08Å
313	A	93.9	Very high	91.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-44.2	172.3	0	0	0	0	0	112.2	C309 Y310 L311 V315 F316 M317 P552 Y553 L556	C309-A313 VanDerWaalsContact O-CB 3.26Å; C309-A313 WeakPolarHBondContact O-CB 3.19Å; C309-A313 PolarHBondContact O-N 3.3Å; Y310-A313 PolarHBondContact O-N 2.99Å; L311-A313 VanDerWaalsContact C-N 3.35Å; L311-A313 PolarHBondContact O-N 3.4Å; A313-V315 VanDerWaalsContact C-N 3.32Å; A313-V315 PolarHBondContact O-N 3.01Å; A313-F316 PolarHBondContact O-N 3.41Å; A313-M317 WeakPolarHBondContact O-CG 3.14Å; A313-M317 PolarHBondContact O-N 2.84Å; A313-P552 HydrophobicContact CB-CB 3.7Å; A313-Y553 HydrophobicContact CB-CD1 3.85Å; A313-Y553 HydrophobicContact CB-CE1 3.75Å; A313-L556 HydrophobicContact CB-CD2 4.04Å
314	C	93.4	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-39.8	174.1	-68.8	0	0	0	0	113	Y310 L311 G318 D319 P552	Y310-C314 VanDerWaalsContact CE1-SG 3.56Å; Y310-C314 PolarHBondContact O-N 3.44Å; Y310-C314 PolarHBondContact O-SG 3.21Å; L311-C314 PolarHBondContact O-N 2.79Å; C314-G318 PolarHBondContact O-N 3.43Å; C314-D319 CarbonylContact O-C 3.53Å; C314-D319 PolarHBondContact O-N 3.34Å; C314-P552 VanDerWaalsContact SG-CG 3.53Å
315	V	92.9	Very high	91.8	Very high	41 Å²	41	33.8 Å²	33.8	25%	0.248	17%	0.173	C	C	.	.	H	α-helix	trans	-70	-41.6	178.9	168	0	0	0	0	112	L311 E312 A313 M317 G318 I347 M348 V351	L311-V315 WeakPolarHBondContact O-CB 3.49Å; L311-V315 VanDerWaalsContact O-CG2 3.28Å; L311-V315 WeakPolarHBondContact O-CG2 3.34Å; L311-V315 PolarHBondContact O-N 3.41Å; E312-V315 PolarHBondContact O-N 3Å; A313-V315 VanDerWaalsContact C-N 3.32Å; A313-V315 PolarHBondContact O-N 3.01Å; V315-M317 VanDerWaalsContact C-N 3.31Å; V315-M317 PolarHBondContact O-N 3.32Å; V315-G318 PolarHBondContact O-N 3.17Å; V315-I347 HydrophobicContact CG2-CG2 3.9Å; V315-M348 HydrophobicContact CG2-SD 4.48Å; V315-V351 HydrophobicContact CB-CG2 4.17Å; V315-V351 HydrophobicContact CG1-CG2 3.52Å; V315-V351 HydrophobicContact CG2-CG2 3.49Å; V315-V351 VanDerWaalsContact CG2-CG2 3.49Å
316	F	92.8	Very high	91.9	Very high	31 Å²	31	31.3 Å²	31.3	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-41.6	177	179.1	-90.1	0	0	0	112.4	E312 A313 G318 L556 Y595 R598 Q599 Q602	E312-F316 WeakPolarHBondContact O-CB 3.48Å; E312-F316 PolarHBondContact O-N 3.07Å; A313-F316 PolarHBondContact O-N 3.41Å; F316-G318 PolarHBondContact O-N 2.66Å; F316-L556 HydrophobicContact CB-CD2 4.31Å; F316-L556 HydrophobicContact CD1-CB 4.47Å; F316-L556 HydrophobicContact CD1-CD2 3.52Å; F316-L556 HydrophobicContact CE1-CB 4.3Å; F316-L556 HydrophobicContact CE1-CD2 4.19Å; F316-L556 WeakPolarHBondContact CE1-O 3.29Å; F316-L556 HydrophobicContact CG-CD2 4.2Å; F316-Y595 HydrophobicContact CB-CE2 4.22Å; F316-Y595 HydrophobicContact CD1-CD2 4.35Å; F316-Y595 AromaticContact CD1-CE2 3.95Å; F316-Y595 HydrophobicContact CD1-CE2 3.95Å; F316-Y595 HydrophobicContact CD2-CD2 4.41Å; F316-Y595 AromaticContact CD2-CE2 3.69Å; F316-Y595 HydrophobicContact CD2-CE2 3.69Å; F316-Y595 HydrophobicContact CE1-CD2 4.19Å; F316-Y595 HydrophobicContact CE1-CE2 4.2Å; F316-Y595 HydrophobicContact CE2-CD2 4.26Å; F316-Y595 AromaticContact CE2-CE2 3.96Å; F316-Y595 HydrophobicContact CE2-CE2 3.96Å; F316-Y595 HydrophobicContact CG-CD2 4.45Å; F316-Y595 AromaticContact CG-CE2 3.68Å; F316-Y595 HydrophobicContact CG-CE2 3.68Å; F316-Y595 HydrophobicContact CZ-CD2 4.13Å; F316-Y595 HydrophobicContact CZ-CE2 4.2Å; F316-R598 HydrophobicContact CZ-CB 3.95Å; F316-Q599 HydrophobicContact CE2-CB 4.23Å; F316-Q602 VanDerWaalsContact CE2-OE1 3.31Å
317	M	92	Very high	92	Very high	50 Å²	50	30.3 Å²	30.3	25%	0.246	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.1	174.1	-63	-170.9	-48.4	0	0	114.6	A313 V315 D319 Y551 P552 C555 L556	A313-M317 WeakPolarHBondContact O-CG 3.14Å; A313-M317 PolarHBondContact O-N 2.84Å; V315-M317 VanDerWaalsContact C-N 3.31Å; V315-M317 PolarHBondContact O-N 3.32Å; M317-D319 VanDerWaalsContact C-N 3.29Å; M317-D319 HydrophobicContact CE-CB 4.01Å; M317-D319 PolarHBondContact O-N 3.1Å; M317-Y551 HydrophobicContact CE-CD1 4.35Å; M317-Y551 HydrophobicContact CE-CE1 4.04Å; M317-P552 HydrophobicContact CE-CB 3.78Å; M317-P552 HydrophobicContact CE-CG 4.27Å; M317-P552 HydrophobicContact SD-CB 4.28Å; M317-C555 HydrophobicContact CG-CB 4.37Å; M317-C555 HydrophobicContact SD-CB 3.28Å; M317-C555 WeakPolarHBondContact SD-CB 3.35Å; M317-L556 HydrophobicContact CG-CD2 4.21Å
318	G	91.5	Very high	92	Very high	53 Å²	53	32 Å²	32	55%	0.546	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	2.5	-170.7	0	0	0	0	0	115.6	C314 V315 F316 V320	C314-G318 PolarHBondContact O-N 3.43Å; V315-G318 PolarHBondContact O-N 3.17Å; F316-G318 PolarHBondContact O-N 2.66Å; G318-V320 PolarHBondContact O-N 3.14Å
319	D	91.7	Very high	91.9	Very high	37 Å²	37	29.4 Å²	29.4	20%	0.198	16%	0.155	C	C	.	.			trans	-77.9	64	175.8	-166.8	-11	0	0	0	111.1	C314 M317 E321 R322 S323	C314-D319 CarbonylContact O-C 3.53Å; C314-D319 PolarHBondContact O-N 3.34Å; M317-D319 VanDerWaalsContact C-N 3.29Å; M317-D319 HydrophobicContact CE-CB 4.01Å; M317-D319 PolarHBondContact O-N 3.1Å; D319-E321 PolarHBondContact O-N 3.42Å; D319-R322 HydrophobicContact CB-CB 4.32Å; D319-R322 PolarHBondContact O-N 3.36Å; D319-R322 WeakPolarHBondContact OD1-CB 3.5Å; D319-R322 PolarHBondContact OD1-N 3.25Å; D319-R322 VanDerWaalsContact OD2-CB 3.27Å; D319-R322 WeakPolarHBondContact OD2-CB 3.39Å; D319-R322 IonicContact OD2-CZ 2.7Å; D319-R322 IonicContact OD2-NE 2.78Å; D319-R322 PolarHBondContact OD2-NE 3.4Å; D319-R322 IonicContact OD2-NH2 3.02Å; D319-R322 PolarHBondContact OD2-NH2 2.92Å; D319-R322 VanDerWaalsContact OD2-NH2 3.16Å; D319-S323 PolarHBondContact O-N 3.17Å; D319-S323 VanDerWaalsContact O-N 3.08Å
320	V	92.2	Very high	91.7	Very high	15 Å²	15	29.6 Å²	29.6	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-30.9	178.6	176.5	0	0	0	0	111.3	G318 S323 Q324 M348 V351 W352	G318-V320 PolarHBondContact O-N 3.14Å; V320-S323 PolarHBondContact O-N 3.07Å; V320-Q324 WeakPolarHBondContact O-CB 3.31Å; V320-Q324 PolarHBondContact O-N 2.98Å; V320-M348 HydrophobicContact CG1-CE 4Å; V320-V351 HydrophobicContact CB-CG1 4.3Å; V320-V351 HydrophobicContact CG1-CG1 3.65Å; V320-V351 HydrophobicContact CG2-CG1 3.59Å; V320-W352 HydrophobicContact CG1-CH2 3.95Å; V320-W352 HydrophobicContact CG1-CZ2 4.06Å; V320-W352 HydrophobicContact CG1-CZ3 4.49Å
321	E	90.6	Very high	91.7	Very high	117 Å²	117	29.7 Å²	29.7	55%	0.547	16%	0.157	S	C	.	.	H	α-helix	trans	-72.2	-44	-178.8	-156.6	-145.5	117.8	0	0	111.6	D319 S323 Q324 R325	D319-E321 PolarHBondContact O-N 3.42Å; E321-S323 VanDerWaalsContact C-N 3.33Å; E321-Q324 PolarHBondContact O-N 3.44Å; E321-R325 WeakPolarHBondContact O-CB 3.5Å; E321-R325 WeakPolarHBondContact O-CG 3.4Å; E321-R325 PolarHBondContact O-N 3.45Å; E321-R325 IonicContact OE1-CZ 2.81Å; E321-R325 IonicContact OE1-NE 2.85Å; E321-R325 PolarHBondContact OE1-NE 2.97Å; E321-R325 IonicContact OE1-NH2 2.64Å; E321-R325 PolarHBondContact OE1-NH2 3.2Å; E321-R325 IonicContact OE2-NH2 3.24Å
322	R	90.3	Very high	91.6	Very high	16 Å²	16	38.9 Å²	38.9	6%	0.06	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-43.5	169.9	-176.5	-174	-51.1	-102.3	-4.8	111.2	Y310 D319 Q324 R325 F326 Y551	Y310-R322 WeakPolarHBondContact OH-CD 3.43Å; D319-R322 HydrophobicContact CB-CB 4.32Å; D319-R322 PolarHBondContact O-N 3.36Å; D319-R322 WeakPolarHBondContact OD1-CB 3.5Å; D319-R322 PolarHBondContact OD1-N 3.25Å; D319-R322 VanDerWaalsContact OD2-CB 3.27Å; D319-R322 WeakPolarHBondContact OD2-CB 3.39Å; D319-R322 IonicContact OD2-CZ 2.7Å; D319-R322 IonicContact OD2-NE 2.78Å; D319-R322 PolarHBondContact OD2-NE 3.4Å; D319-R322 IonicContact OD2-NH2 3.02Å; D319-R322 PolarHBondContact OD2-NH2 2.92Å; D319-R322 VanDerWaalsContact OD2-NH2 3.16Å; R322-Q324 PolarHBondContact O-N 3.05Å; R322-R325 PolarHBondContact O-N 3.39Å; R322-F326 VanDerWaalsContact O-CB 3.3Å; R322-F326 WeakPolarHBondContact O-CB 3.47Å; R322-F326 PolarHBondContact O-N 3.05Å; R322-Y551 VanDerWaalsContact CZ-CE1 3.47Å
323	S	91.3	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-48.8	178.3	-156.6	0	0	0	0	111.4	L311 D319 V320 E321 F326 L327 M348	L311-S323 WeakPolarHBondContact CD2-O 3.48Å; L311-S323 WeakPolarHBondContact CD2-OG 3.38Å; D319-S323 PolarHBondContact O-N 3.17Å; D319-S323 VanDerWaalsContact O-N 3.08Å; V320-S323 PolarHBondContact O-N 3.07Å; E321-S323 VanDerWaalsContact C-N 3.33Å; S323-F326 PolarHBondContact O-N 3.5Å; S323-L327 PolarHBondContact O-N 2.9Å; S323-M348 PolarHBondContact OG-SD 3.15Å; S323-M348 VanDerWaalsContact OG-SD 3.37Å
324	Q	91.4	Very high	91	Very high	56 Å²	56	46.7 Å²	46.7	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-45.5	175.7	-172.8	179	4.3	0	0	112.4	V320 E321 R322 F326 L327 L328 M348	V320-Q324 WeakPolarHBondContact O-CB 3.31Å; V320-Q324 PolarHBondContact O-N 2.98Å; E321-Q324 PolarHBondContact O-N 3.44Å; R322-Q324 PolarHBondContact O-N 3.05Å; Q324-F326 VanDerWaalsContact C-N 3.28Å; Q324-F326 PolarHBondContact O-N 3.12Å; Q324-L327 PolarHBondContact O-N 2.7Å; Q324-L328 HydrophobicContact CG-CD1 4Å; Q324-L328 HydrophobicContact CG-CG 4.48Å; Q324-L328 WeakPolarHBondContact O-CB 3.38Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.42Å; Q324-L328 PolarHBondContact O-N 3.09Å; Q324-M348 HydrophobicContact CB-CE 3.84Å; Q324-M348 HydrophobicContact CG-CE 4.49Å
325	R	90.1	Very high	90.7	Very high	110 Å²	110	50.7 Å²	50.7	42%	0.415	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-38.7	177.1	-83.8	-167	-90.8	126.8	-11	112.1	E321 R322 S329	E321-R325 WeakPolarHBondContact O-CB 3.5Å; E321-R325 WeakPolarHBondContact O-CG 3.4Å; E321-R325 PolarHBondContact O-N 3.45Å; E321-R325 IonicContact OE1-CZ 2.81Å; E321-R325 IonicContact OE1-NE 2.85Å; E321-R325 PolarHBondContact OE1-NE 2.97Å; E321-R325 IonicContact OE1-NH2 2.64Å; E321-R325 PolarHBondContact OE1-NH2 3.2Å; E321-R325 IonicContact OE2-NH2 3.24Å; R322-R325 PolarHBondContact O-N 3.39Å; R325-S329 WeakPolarHBondContact O-CB 3.36Å; R325-S329 PolarHBondContact O-N 3.13Å
326	F	90.4	Very high	90.5	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-49	177.2	-178.8	-101.8	0	0	0	112	I307 Y310 L311 R322 S323 Q324 L328 S329 Q330 L548	I307-F326 HydrophobicContact CG2-CE1 4.2Å; Y310-F326 HydrophobicContact CD1-CB 4.41Å; Y310-F326 AromaticContact CD1-CD1 3.43Å; Y310-F326 HydrophobicContact CD1-CD1 3.43Å; Y310-F326 VanDerWaalsContact CD1-CD1 3.43Å; Y310-F326 HydrophobicContact CD1-CD2 4.12Å; Y310-F326 AromaticContact CD1-CE1 3.58Å; Y310-F326 HydrophobicContact CD1-CE1 3.58Å; Y310-F326 HydrophobicContact CD1-CE2 4.25Å; Y310-F326 AromaticContact CD1-CG 3.72Å; Y310-F326 HydrophobicContact CD1-CG 3.72Å; Y310-F326 HydrophobicContact CD1-CZ 4.02Å; Y310-F326 HydrophobicContact CE1-CB 3.82Å; Y310-F326 AromaticContact CE1-CD1 3.69Å; Y310-F326 HydrophobicContact CE1-CD1 3.69Å; Y310-F326 AromaticContact CE1-CD2 3.71Å; Y310-F326 HydrophobicContact CE1-CD2 3.71Å; Y310-F326 HydrophobicContact CE1-CE1 4.17Å; Y310-F326 HydrophobicContact CE1-CE2 4.18Å; Y310-F326 AromaticContact CE1-CG 3.44Å; Y310-F326 HydrophobicContact CE1-CG 3.44Å; Y310-F326 VanDerWaalsContact CE1-CG 3.44Å; Y310-F326 HydrophobicContact CE1-CZ 4.41Å; Y310-F326 HydrophobicContact CG-CD1 4.49Å; Y310-F326 HydrophobicContact CG-CE1 4.25Å; Y310-F326 HydrophobicContact CG-CZ 4.44Å; L311-F326 HydrophobicContact CD2-CD1 3.87Å; L311-F326 HydrophobicContact CG-CD1 4.14Å; L311-F326 HydrophobicContact CG-CE1 4.5Å; R322-F326 VanDerWaalsContact O-CB 3.3Å; R322-F326 WeakPolarHBondContact O-CB 3.47Å; R322-F326 PolarHBondContact O-N 3.05Å; S323-F326 PolarHBondContact O-N 3.5Å; Q324-F326 VanDerWaalsContact C-N 3.28Å; Q324-F326 PolarHBondContact O-N 3.12Å; F326-L328 VanDerWaalsContact C-N 3.26Å; F326-L328 PolarHBondContact O-N 2.75Å; F326-S329 PolarHBondContact O-N 3.03Å; F326-S329 PolarHBondContact O-OG 3.34Å; F326-S329 VanDerWaalsContact O-OG 3.1Å; F326-Q330 HydrophobicContact CD1-CG 4.43Å; F326-Q330 HydrophobicContact CE1-CG 4.02Å; F326-Q330 HydrophobicContact CE2-CG 4.36Å; F326-Q330 HydrophobicContact CZ-CG 3.96Å; F326-Q330 WeakPolarHBondContact O-CG 3.47Å; F326-Q330 PolarHBondContact O-N 3.39Å; F326-L548 HydrophobicContact CE1-CD2 4.23Å; F326-L548 HydrophobicContact CE2-CD2 3.92Å; F326-L548 HydrophobicContact CZ-CD2 3.38Å
327	L	92.3	Very high	90.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-41.9	176	-179.5	60.9	0	0	0	111.5	L311 S323 Q324 Q330 H331 L340 I344 Y345 M348	L311-L327 HydrophobicContact CD1-CD1 4.45Å; L311-L327 HydrophobicContact CD2-CB 4.21Å; S323-L327 PolarHBondContact O-N 2.9Å; Q324-L327 PolarHBondContact O-N 2.7Å; L327-Q330 PolarHBondContact O-N 3.24Å; L327-H331 WeakPolarHBondContact O-CB 3.31Å; L327-H331 PolarHBondContact O-N 3.14Å; L327-L340 HydrophobicContact CD1-CD1 4.27Å; L327-L340 HydrophobicContact CD1-CD2 4.38Å; L327-I344 HydrophobicContact CD1-CG2 3.89Å; L327-Y345 HydrophobicContact CD1-CD1 4.2Å; L327-Y345 HydrophobicContact CD1-CE1 4.02Å; L327-Y345 HydrophobicContact CD2-CD1 3.99Å; L327-Y345 HydrophobicContact CD2-CE1 4.36Å; L327-Y345 HydrophobicContact CG-CD1 4.46Å; L327-Y345 HydrophobicContact CG-CE1 4.37Å; L327-M348 HydrophobicContact CD2-CB 4.03Å; L327-M348 HydrophobicContact CD2-CG 3.58Å
328	L	91.9	Very high	90.3	Very high	42 Å²	42	57 Å²	57	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-67.6	-34.3	175.4	-70	173.9	0	0	0	113.1	Q324 F326 R332 L367	Q324-L328 HydrophobicContact CG-CD1 4Å; Q324-L328 HydrophobicContact CG-CG 4.48Å; Q324-L328 WeakPolarHBondContact O-CB 3.38Å; Q324-L328 VanDerWaalsContact O-CG 3.29Å; Q324-L328 WeakPolarHBondContact O-CG 3.42Å; Q324-L328 PolarHBondContact O-N 3.09Å; F326-L328 VanDerWaalsContact C-N 3.26Å; F326-L328 PolarHBondContact O-N 2.75Å; L328-R332 VanDerWaalsContact O-CB 3.32Å; L328-R332 WeakPolarHBondContact O-CB 3.42Å; L328-R332 WeakPolarHBondContact O-CD 3.36Å; L328-R332 WeakPolarHBondContact O-CG 3.45Å; L328-R332 PolarHBondContact O-N 2.98Å; L328-L367 HydrophobicContact CD2-CD1 3.86Å; L328-L367 HydrophobicContact CD2-CD2 4.31Å
329	S	88.6	Confident	90.1	Very high	25 Å²	25	56.6 Å²	56.6	18%	0.175	27%	0.265	C	S	.	.	H	α-helix	trans	-72.6	-29.4	177	80.9	0	0	0	0	112.8	R325 F326 T543	R325-S329 WeakPolarHBondContact O-CB 3.36Å; R325-S329 PolarHBondContact O-N 3.13Å; F326-S329 PolarHBondContact O-N 3.03Å; F326-S329 PolarHBondContact O-OG 3.34Å; F326-S329 VanDerWaalsContact O-OG 3.1Å; S329-T543 PolarHBondContact OG-O 3.07Å
330	Q	89.1	Confident	90.2	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-72.4	-48.8	168.2	-55.7	-52.4	-29.1	0	0	111.5	F326 L327 R332 V333 R336 R337 L340	F326-Q330 HydrophobicContact CD1-CG 4.43Å; F326-Q330 HydrophobicContact CE1-CG 4.02Å; F326-Q330 HydrophobicContact CE2-CG 4.36Å; F326-Q330 HydrophobicContact CZ-CG 3.96Å; F326-Q330 WeakPolarHBondContact O-CG 3.47Å; F326-Q330 PolarHBondContact O-N 3.39Å; L327-Q330 PolarHBondContact O-N 3.24Å; Q330-R332 PolarHBondContact O-N 3.07Å; Q330-V333 PolarHBondContact O-N 2.97Å; Q330-R336 HydrophobicContact CB-CB 4.5Å; Q330-R336 WeakPolarHBondContact O-CB 3.41Å; Q330-R337 PolarHBondContact O-N 2.79Å; Q330-L340 HydrophobicContact CB-CD1 3.97Å; Q330-L340 HydrophobicContact CB-CD2 3.88Å; Q330-L340 HydrophobicContact CB-CG 4.35Å; Q330-L340 HydrophobicContact CG-CD2 4.47Å
331	H	92.5	Very high	90.3	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-33	-176.4	176	91.4	0	0	0	113.2	L327 V333 R337 L340 Y345 L367 E370	L327-H331 WeakPolarHBondContact O-CB 3.31Å; L327-H331 PolarHBondContact O-N 3.14Å; H331-V333 VanDerWaalsContact C-N 3.27Å; H331-V333 PolarHBondContact O-N 3.47Å; H331-R337 PolarHBondContact CD2-NH2 3.32Å; H331-R337 PolarHBondContact NE2-NH2 3.42Å; H331-R337 VanDerWaalsContact O-CZ 3.3Å; H331-R337 PolarHBondContact O-NE 2.8Å; H331-R337 PolarHBondContact O-NH2 3.22Å; H331-L340 HydrophobicContact CB-CD1 3.85Å; H331-Y345 AromaticContact ND1-CZ 3.88Å; H331-Y345 PolarHBondContact ND1-OH 3.41Å; H331-L367 PolarHBondContact CE1-O 3.35Å; H331-E370 IonicContact NE2-OE2 3.5Å; H331-E370 PolarHBondContact NE2-OE2 2.94Å
332	R	90.7	Very high	90.5	Very high	192 Å²	192	51.6 Å²	51.6	73%	0.725	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.4	179.3	-78.4	170.1	-178.9	-171.6	0.2	114.6	L328 Q330	L328-R332 VanDerWaalsContact O-CB 3.32Å; L328-R332 WeakPolarHBondContact O-CB 3.42Å; L328-R332 WeakPolarHBondContact O-CD 3.36Å; L328-R332 WeakPolarHBondContact O-CG 3.45Å; L328-R332 PolarHBondContact O-N 2.98Å; Q330-R332 PolarHBondContact O-N 3.07Å
333	V	89.1	Confident	90.6	Very high	55 Å²	55	53.9 Å²	53.9	33%	0.333	26%	0.257	S	S	.	.	S	Bend	trans	-104.6	113.5	-177	-178.7	0	0	0	0	109.3	Q330 H331 S335 R336 R337	Q330-V333 PolarHBondContact O-N 2.97Å; H331-V333 VanDerWaalsContact C-N 3.27Å; H331-V333 PolarHBondContact O-N 3.47Å; V333-S335 VanDerWaalsContact C-N 3.27Å; V333-S335 PolarHBondContact O-N 2.63Å; V333-S335 VanDerWaalsContact O-N 3.09Å; V333-R336 HydrophobicContact CB-CB 4.13Å; V333-R336 HydrophobicContact CB-CG 3.94Å; V333-R336 HydrophobicContact CG1-CB 4.47Å; V333-R336 HydrophobicContact CG1-CG 3.91Å; V333-R336 CarbonylContact O-C 3.55Å; V333-R336 WeakPolarHBondContact O-CA 3.4Å; V333-R336 PolarHBondContact O-N 3.33Å; V333-R337 PolarHBondContact O-N 3.12Å
334	M	87	Confident	90.7	Very high	121 Å²	121	54 Å²	54	60%	0.596	26%	0.257	S	S	*	.	H	α-helix	trans	-54.9	-34.4	-171	-68.5	-58.7	-70.6	0	0	115.2	K338	M334-K338 WeakPolarHBondContact O-CG 3.45Å; M334-K338 PolarHBondContact O-N 3.47Å
335	S	87.3	Confident	91	Very high	84 Å²	84	51.3 Å²	51.3	59%	0.587	25%	0.245	S	C	*	.	H	α-helix	trans	-71.5	-28.2	175.2	53.6	0	0	0	0	113.6	V333	V333-S335 VanDerWaalsContact C-N 3.27Å; V333-S335 PolarHBondContact O-N 2.63Å; V333-S335 VanDerWaalsContact O-N 3.09Å
336	R	87.8	Confident	91.2	Very high	50 Å²	50	46.6 Å²	46.6	19%	0.189	23%	0.228	C	C	.	.	H	α-helix	trans	-86	-34.5	175.3	-54.6	-176.9	-166.3	-178.2	-0.7	111.5	Q330 V333 K338 Q339 R544 Y546	Q330-R336 HydrophobicContact CB-CB 4.5Å; Q330-R336 WeakPolarHBondContact O-CB 3.41Å; V333-R336 HydrophobicContact CB-CB 4.13Å; V333-R336 HydrophobicContact CB-CG 3.94Å; V333-R336 HydrophobicContact CG1-CB 4.47Å; V333-R336 HydrophobicContact CG1-CG 3.91Å; V333-R336 CarbonylContact O-C 3.55Å; V333-R336 WeakPolarHBondContact O-CA 3.4Å; V333-R336 PolarHBondContact O-N 3.33Å; R336-K338 PolarHBondContact O-N 2.87Å; R336-Q339 WeakPolarHBondContact O-CA 3.41Å; R336-Q339 WeakPolarHBondContact O-CB 3.29Å; R336-Q339 PolarHBondContact O-N 2.87Å; R336-R544 PolarHBondContact NH1-O 3.25Å; R336-Y546 HydrophobicContact CG-CD2 4.45Å
337	R	91.6	Very high	91.4	Very high	40 Å²	40	47.2 Å²	47.2	15%	0.151	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-38.6	173	-168.8	-174.1	-63.3	-153.4	-7.6	112	Q330 H331 V333 Q339 L340 E370 A371	Q330-R337 PolarHBondContact O-N 2.79Å; H331-R337 PolarHBondContact CD2-NH2 3.32Å; H331-R337 PolarHBondContact NE2-NH2 3.42Å; H331-R337 VanDerWaalsContact O-CZ 3.3Å; H331-R337 PolarHBondContact O-NE 2.8Å; H331-R337 PolarHBondContact O-NH2 3.22Å; V333-R337 PolarHBondContact O-N 3.12Å; R337-Q339 PolarHBondContact O-N 2.94Å; R337-Q339 VanDerWaalsContact O-N 3.16Å; R337-L340 WeakPolarHBondContact O-CB 3.46Å; R337-L340 PolarHBondContact O-N 3.17Å; R337-L340 VanDerWaalsContact O-N 3.07Å; R337-E370 PolarHBondContact NH1-O 2.94Å; R337-E370 IonicContact NH1-OE2 2.7Å; R337-A371 HydrophobicContact CG-CB 4.18Å
338	K	88.8	Confident	91.6	Very high	166 Å²	166	47.1 Å²	47.1	72%	0.722	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.1	174	-70.4	-178.2	178.6	-169.1	0	115	M334 R336	M334-K338 WeakPolarHBondContact O-CG 3.45Å; M334-K338 PolarHBondContact O-N 3.47Å; R336-K338 PolarHBondContact O-N 2.87Å
339	Q	88.3	Confident	91.8	Very high	44 Å²	44	45.1 Å²	45.1	21%	0.206	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9.8	174.8	-53.3	-63.6	-37.5	0	0	112.3	C300 I303 Q304 I307 R336 R337	C300-Q339 PolarHBondContact SG-OE1 2.76Å; I303-Q339 HydrophobicContact CG2-CB 4.15Å; I303-Q339 HydrophobicContact CG2-CG 4.23Å; Q304-Q339 WeakPolarHBondContact CG-O 3.36Å; I307-Q339 HydrophobicContact CD1-CB 4.29Å; R336-Q339 WeakPolarHBondContact O-CA 3.41Å; R336-Q339 WeakPolarHBondContact O-CB 3.29Å; R336-Q339 PolarHBondContact O-N 2.87Å; R337-Q339 PolarHBondContact O-N 2.94Å; R337-Q339 VanDerWaalsContact O-N 3.16Å
340	L	92.4	Very high	92.1	Very high	8 Å²	8	46 Å²	46	4%	0.042	22%	0.22	C	C	.	.			trans	-105	132.1	178.3	-55.3	176.1	0	0	0	109.6	I307 L327 Q330 H331 R337 I344 Y345	I307-L340 HydrophobicContact CD1-CD2 4.31Å; I307-L340 HydrophobicContact CG2-CD2 4.04Å; L327-L340 HydrophobicContact CD1-CD1 4.27Å; L327-L340 HydrophobicContact CD1-CD2 4.38Å; Q330-L340 HydrophobicContact CB-CD1 3.97Å; Q330-L340 HydrophobicContact CB-CD2 3.88Å; Q330-L340 HydrophobicContact CB-CG 4.35Å; Q330-L340 HydrophobicContact CG-CD2 4.47Å; H331-L340 HydrophobicContact CB-CD1 3.85Å; R337-L340 WeakPolarHBondContact O-CB 3.46Å; R337-L340 PolarHBondContact O-N 3.17Å; R337-L340 VanDerWaalsContact O-N 3.07Å; L340-I344 HydrophobicContact CD2-CG2 3.78Å; L340-Y345 HydrophobicContact CB-CE2 3.77Å; L340-Y345 WeakPolarHBondContact CD1-OH 3.41Å
341	T	94	Very high	92.4	Very high	36 Å²	36	46.5 Å²	46.5	22%	0.221	22%	0.223	C	C	.	.			trans	-108.2	164.4	177.5	62.5	0	0	0	0	110.6	Q304 D343 I344 Y345	Q304-T341 HydrophobicContact CG-CG2 4.21Å; T341-D343 PolarHBondContact O-N 2.99Å; T341-I344 WeakPolarHBondContact O-CB 3.29Å; T341-I344 PolarHBondContact O-N 3.25Å; T341-Y345 VanDerWaalsContact O-CD2 3.24Å; T341-Y345 WeakPolarHBondContact O-CD2 3.42Å; T341-Y345 PolarHBondContact O-N 2.93Å
342	T	94.8	Very high	92.6	Very high	20 Å²	20	47.4 Å²	47.4	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-50.8	-40.4	176	-59.1	0	0	0	0	111.5	I344 Y345 N346 L368 K374 N376 S379	T342-I344 PolarHBondContact O-N 2.79Å; T342-Y345 WeakPolarHBondContact O-CB 3.42Å; T342-Y345 PolarHBondContact O-N 2.82Å; T342-Y345 VanDerWaalsContact O-N 3.14Å; T342-N346 PolarHBondContact O-N 2.85Å; T342-N346 PolarHBondContact O-ND2 2.59Å; T342-N346 PolarHBondContact O-OD1 2.97Å; T342-L368 HydrophobicContact CG2-CD1 4.14Å; T342-K374 WeakPolarHBondContact CG2-O 3.43Å; T342-K374 PolarHBondContact OG1-O 2.88Å; T342-N376 HydrophobicContact CG2-CB 3.98Å; T342-N376 VanDerWaalsContact CG2-CG 3.48Å; T342-S379 WeakPolarHBondContact CG2-OG 3.48Å
343	D	92.3	Very high	92.8	Very high	63 Å²	63	38.3 Å²	38.3	34%	0.337	19%	0.192	S	C	.	.	H	α-helix	trans	-70.3	-29.7	-178.7	-54.7	-46.6	0	0	0	114.2	T341 Y345 N346 I347 N376	T341-D343 PolarHBondContact O-N 2.99Å; D343-Y345 VanDerWaalsContact C-N 3.29Å; D343-Y345 PolarHBondContact O-N 3.05Å; D343-N346 WeakPolarHBondContact O-CB 3.5Å; D343-N346 PolarHBondContact O-N 2.98Å; D343-N346 PolarHBondContact OD1-ND2 2.83Å; D343-N346 VanDerWaalsContact OD1-ND2 3.1Å; D343-I347 PolarHBondContact O-N 2.93Å; D343-I347 VanDerWaalsContact O-N 3.17Å; D343-N376 PolarHBondContact OD1-ND2 3.02Å
344	I	94.8	Very high	93	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-34.1	172.8	-73.8	167.1	0	0	0	110.9	Q304 I307 R308 L311 L327 L340 T341 T342	Q304-I344 HydrophobicContact CB-CD1 4.32Å; I307-I344 HydrophobicContact CB-CD1 4.3Å; I307-I344 HydrophobicContact CG2-CD1 3.88Å; I307-I344 HydrophobicContact CG2-CG1 4.3Å; I307-I344 HydrophobicContact CG2-CG2 3.87Å; R308-I344 HydrophobicContact CB-CG1 4.3Å; L311-I344 HydrophobicContact CD1-CG2 3.66Å; L327-I344 HydrophobicContact CD1-CG2 3.89Å; L340-I344 HydrophobicContact CD2-CG2 3.78Å; T341-I344 WeakPolarHBondContact O-CB 3.29Å; T341-I344 PolarHBondContact O-N 3.25Å; T342-I344 PolarHBondContact O-N 2.79Å
345	Y	96.6	Very high	93.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-74.2	-37.4	169.7	-67.2	-77.4	0	0	0	112.2	L327 H331 L340 T341 T342 D343 I347 M348 M349 I364 L367 L368 A371 L373	L327-Y345 HydrophobicContact CD1-CD1 4.2Å; L327-Y345 HydrophobicContact CD1-CE1 4.02Å; L327-Y345 HydrophobicContact CD2-CD1 3.99Å; L327-Y345 HydrophobicContact CD2-CE1 4.36Å; L327-Y345 HydrophobicContact CG-CD1 4.46Å; L327-Y345 HydrophobicContact CG-CE1 4.37Å; H331-Y345 AromaticContact ND1-CZ 3.88Å; H331-Y345 PolarHBondContact ND1-OH 3.41Å; L340-Y345 HydrophobicContact CB-CE2 3.77Å; L340-Y345 WeakPolarHBondContact CD1-OH 3.41Å; T341-Y345 VanDerWaalsContact O-CD2 3.24Å; T341-Y345 WeakPolarHBondContact O-CD2 3.42Å; T341-Y345 PolarHBondContact O-N 2.93Å; T342-Y345 WeakPolarHBondContact O-CB 3.42Å; T342-Y345 PolarHBondContact O-N 2.82Å; T342-Y345 VanDerWaalsContact O-N 3.14Å; D343-Y345 VanDerWaalsContact C-N 3.29Å; D343-Y345 PolarHBondContact O-N 3.05Å; Y345-I347 VanDerWaalsContact C-N 3.26Å; Y345-I347 PolarHBondContact O-N 2.93Å; Y345-M348 PolarHBondContact O-N 3.1Å; Y345-M349 PolarHBondContact O-N 3.06Å; Y345-I364 HydrophobicContact CD1-CG2 4.08Å; Y345-I364 HydrophobicContact CG-CG2 4.39Å; Y345-L367 HydrophobicContact CD1-CB 4.42Å; Y345-L367 HydrophobicContact CE1-CB 4.01Å; Y345-L368 HydrophobicContact CD2-CD1 4.39Å; Y345-L368 HydrophobicContact CD2-CG 4.28Å; Y345-L368 HydrophobicContact CG-CD1 4.29Å; Y345-L368 HydrophobicContact CG-CG 4.49Å; Y345-A371 HydrophobicContact CE2-CB 4.24Å; Y345-L373 HydrophobicContact CD2-CD1 3.88Å; Y345-L373 HydrophobicContact CE2-CD1 3.57Å
346	N	95.7	Very high	93.6	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.064	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-31.2	179.9	-68.3	-23.5	0	0	0	113.2	T342 D343 M348 M349 R350 N376 S378 S379	T342-N346 PolarHBondContact O-N 2.85Å; T342-N346 PolarHBondContact O-ND2 2.59Å; T342-N346 PolarHBondContact O-OD1 2.97Å; D343-N346 WeakPolarHBondContact O-CB 3.5Å; D343-N346 PolarHBondContact O-N 2.98Å; D343-N346 PolarHBondContact OD1-ND2 2.83Å; D343-N346 VanDerWaalsContact OD1-ND2 3.1Å; N346-M348 VanDerWaalsContact C-N 3.31Å; N346-M348 PolarHBondContact O-N 3.18Å; N346-M349 PolarHBondContact O-N 3.38Å; N346-R350 WeakPolarHBondContact O-CB 3.08Å; N346-R350 PolarHBondContact O-N 3.42Å; N346-N376 PolarHBondContact ND2-OD1 3.27Å; N346-S378 WeakPolarHBondContact ND2-CB 3.42Å; N346-S379 VanDerWaalsContact OD1-CA 3.31Å; N346-S379 WeakPolarHBondContact OD1-CA 3.34Å; N346-S379 WeakPolarHBondContact OD1-CB 3.48Å; N346-S379 PolarHBondContact OD1-N 3.01Å; N346-S379 PolarHBondContact OD1-OG 3.16Å
347	I	95.1	Very high	93.8	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.097	17%	0.171	C	C	.	.	H	α-helix	trans	-54.4	-48.8	171.9	-69.3	162.3	0	0	0	110.8	R308 L311 E312 V315 D343 Y345 R350 V351	R308-I347 HydrophobicContact CG-CD1 3.66Å; L311-I347 HydrophobicContact CB-CD1 4.11Å; L311-I347 HydrophobicContact CB-CG2 4.12Å; E312-I347 HydrophobicContact CG-CD1 3.69Å; E312-I347 HydrophobicContact CG-CG1 4.1Å; V315-I347 HydrophobicContact CG2-CG2 3.9Å; D343-I347 PolarHBondContact O-N 2.93Å; D343-I347 VanDerWaalsContact O-N 3.17Å; Y345-I347 VanDerWaalsContact C-N 3.26Å; Y345-I347 PolarHBondContact O-N 2.93Å; I347-R350 PolarHBondContact O-N 2.93Å; I347-V351 WeakPolarHBondContact O-CG2 3.36Å; I347-V351 PolarHBondContact O-N 3.14Å
348	M	96.1	Very high	93.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-74	-30.1	178.3	-69.7	-58.3	-58.7	0	0	112.4	V315 V320 S323 Q324 L327 Y345 N346 V351 W352 I364	V315-M348 HydrophobicContact CG2-SD 4.48Å; V320-M348 HydrophobicContact CG1-CE 4Å; S323-M348 PolarHBondContact OG-SD 3.15Å; S323-M348 VanDerWaalsContact OG-SD 3.37Å; Q324-M348 HydrophobicContact CB-CE 3.84Å; Q324-M348 HydrophobicContact CG-CE 4.49Å; L327-M348 HydrophobicContact CD2-CB 4.03Å; L327-M348 HydrophobicContact CD2-CG 3.58Å; Y345-M348 PolarHBondContact O-N 3.1Å; N346-M348 VanDerWaalsContact C-N 3.31Å; N346-M348 PolarHBondContact O-N 3.18Å; M348-V351 PolarHBondContact O-N 3.49Å; M348-W352 HydrophobicContact CE-CZ2 4.23Å; M348-W352 PolarHBondContact O-N 2.96Å; M348-W352 VanDerWaalsContact O-N 3.17Å; M348-I364 HydrophobicContact CB-CD1 4.29Å
349	M	96	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-50.5	170.4	-64.2	-165.4	-178.7	0	0	111.1	Y345 N346 V351 W352 A353 I361 I364 F365 L368 A382	Y345-M349 PolarHBondContact O-N 3.06Å; N346-M349 PolarHBondContact O-N 3.38Å; M349-V351 VanDerWaalsContact C-N 3.27Å; M349-V351 PolarHBondContact O-N 2.91Å; M349-W352 CarbonylContact O-C 3.37Å; M349-W352 PolarHBondContact O-N 3.41Å; M349-A353 WeakPolarHBondContact O-CB 3.34Å; M349-A353 PolarHBondContact O-N 2.79Å; M349-I361 HydrophobicContact CB-CD1 4.01Å; M349-I361 WeakPolarHBondContact O-CD1 3.43Å; M349-I364 HydrophobicContact CE-CB 4.05Å; M349-I364 HydrophobicContact CE-CG2 3.65Å; M349-I364 HydrophobicContact CG-CB 3.92Å; M349-I364 HydrophobicContact CG-CG1 4.41Å; M349-I364 HydrophobicContact CG-CG2 3.64Å; M349-F365 HydrophobicContact CE-CD1 3.71Å; M349-F365 HydrophobicContact CE-CD2 4.36Å; M349-F365 HydrophobicContact CE-CE1 3.79Å; M349-F365 HydrophobicContact CE-CE2 4.44Å; M349-F365 HydrophobicContact CE-CG 4Å; M349-F365 HydrophobicContact CE-CZ 4.17Å; M349-F365 HydrophobicContact SD-CE1 4.36Å; M349-F365 HydrophobicContact SD-CZ 4.23Å; M349-L368 HydrophobicContact CE-CD1 3.73Å; M349-A382 HydrophobicContact CB-CB 3.7Å
350	R	94.6	Very high	94.2	Very high	45 Å²	45	32.5 Å²	32.5	17%	0.17	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-37.8	179.8	-168.6	178	-74.9	-137.5	6.1	112.4	N346 I347 A353 K354 V420 E425	N346-R350 WeakPolarHBondContact O-CB 3.08Å; N346-R350 PolarHBondContact O-N 3.42Å; I347-R350 PolarHBondContact O-N 2.93Å; R350-A353 PolarHBondContact O-N 3.01Å; R350-K354 PolarHBondContact O-N 3.37Å; R350-V420 PolarHBondContact NH1-O 3.01Å; R350-V420 PolarHBondContact NH2-O 3.49Å; R350-E425 WeakPolarHBondContact CD-OE1 3.26Å; R350-E425 WeakPolarHBondContact CG-OE1 3.19Å; R350-E425 IonicContact CZ-OE1 2.76Å; R350-E425 IonicContact CZ-OE2 2.7Å; R350-E425 VanDerWaalsContact CZ-OE2 3.28Å; R350-E425 IonicContact NE-OE1 3.92Å; R350-E425 IonicContact NE-OE2 3.58Å; R350-E425 IonicContact NH1-OE1 2.68Å; R350-E425 PolarHBondContact NH1-OE1 3.23Å; R350-E425 IonicContact NH1-OE2 3.62Å; R350-E425 PolarHBondContact NH1-OE2 2.96Å
351	V	95.3	Very high	94.3	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.085	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-45.6	172.8	173.6	0	0	0	0	112.5	V315 V320 I347 M348 M349 A353 K355	V315-V351 HydrophobicContact CB-CG2 4.17Å; V315-V351 HydrophobicContact CG1-CG2 3.52Å; V315-V351 HydrophobicContact CG2-CG2 3.49Å; V315-V351 VanDerWaalsContact CG2-CG2 3.49Å; V320-V351 HydrophobicContact CB-CG1 4.3Å; V320-V351 HydrophobicContact CG1-CG1 3.65Å; V320-V351 HydrophobicContact CG2-CG1 3.59Å; I347-V351 WeakPolarHBondContact O-CG2 3.36Å; I347-V351 PolarHBondContact O-N 3.14Å; M348-V351 PolarHBondContact O-N 3.49Å; M349-V351 VanDerWaalsContact C-N 3.27Å; M349-V351 PolarHBondContact O-N 2.91Å; V351-A353 VanDerWaalsContact C-N 3.31Å; V351-K355 WeakPolarHBondContact O-CG 3.37Å; V351-K355 PolarHBondContact O-N 3.24Å
352	W	95.8	Very high	94.3	Very high	24 Å²	24	31.4 Å²	31.4	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-74.1	-24.3	178.9	-64.4	127.3	0	0	0	113	V320 M348 M349 K355 G356 T357 Q360 I361	V320-W352 HydrophobicContact CG1-CH2 3.95Å; V320-W352 HydrophobicContact CG1-CZ2 4.06Å; V320-W352 HydrophobicContact CG1-CZ3 4.49Å; M348-W352 HydrophobicContact CE-CZ2 4.23Å; M348-W352 PolarHBondContact O-N 2.96Å; M348-W352 VanDerWaalsContact O-N 3.17Å; M349-W352 CarbonylContact O-C 3.37Å; M349-W352 PolarHBondContact O-N 3.41Å; W352-K355 HydrophobicContact CE3-CD 3.99Å; W352-K355 HydrophobicContact CZ3-CD 3.97Å; W352-K355 PolarHBondContact O-N 2.78Å; W352-G356 PolarHBondContact O-N 3.04Å; W352-T357 WeakPolarHBondContact CB-OG1 3.37Å; W352-T357 VanDerWaalsContact CE3-OG1 3.3Å; W352-T357 PolarHBondContact O-N 3.29Å; W352-T357 PolarHBondContact O-OG1 2.8Å; W352-Q360 HydrophobicContact CB-CB 3.94Å; W352-Q360 HydrophobicContact CD2-CB 3.53Å; W352-Q360 HydrophobicContact CD2-CG 3.85Å; W352-Q360 HydrophobicContact CE3-CB 4.06Å; W352-Q360 HydrophobicContact CE3-CG 3.88Å; W352-Q360 HydrophobicContact CG-CB 3.44Å; W352-Q360 VanDerWaalsContact CG-CB 3.44Å; W352-Q360 HydrophobicContact CG-CG 4.29Å; W352-Q360 HydrophobicContact CZ3-CG 4.23Å; W352-I361 HydrophobicContact CB-CD1 3.87Å; W352-I361 HydrophobicContact CB-CG1 4.22Å
353	A	96.2	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-52	174.1	0	0	0	0	0	110.9	M349 R350 V351 K355 G356 I361 A382 E385 C386 R389	M349-A353 WeakPolarHBondContact O-CB 3.34Å; M349-A353 PolarHBondContact O-N 2.79Å; R350-A353 PolarHBondContact O-N 3.01Å; V351-A353 VanDerWaalsContact C-N 3.31Å; A353-K355 PolarHBondContact O-N 3.27Å; A353-G356 WeakPolarHBondContact O-CA 3.35Å; A353-G356 PolarHBondContact O-N 3.4Å; A353-I361 HydrophobicContact CB-CD1 4.21Å; A353-A382 HydrophobicContact CB-CB 4.19Å; A353-A382 WeakPolarHBondContact CB-O 3.32Å; A353-E385 HydrophobicContact CB-CB 4.36Å; A353-E385 HydrophobicContact CB-CG 4.44Å; A353-E385 WeakPolarHBondContact CB-OE2 3.3Å; A353-C386 HydrophobicContact CB-CB 3.99Å; A353-R389 WeakPolarHBondContact O-CD 3.49Å
354	K	93.9	Very high	94.5	Very high	64 Å²	64	34.8 Å²	34.8	28%	0.278	17%	0.17	S	C	.	.	H	α-helix	trans	-57.1	-31.2	172.6	-69.3	-165.4	175.5	-168.2	0	113.7	R350 G356 E385 R422 E425	R350-K354 PolarHBondContact O-N 3.37Å; K354-G356 VanDerWaalsContact C-N 3.33Å; K354-E385 VanDerWaalsContact CG-OE1 3.29Å; K354-E385 WeakPolarHBondContact CG-OE1 3.38Å; K354-R422 PolarHBondContact NZ-O 2.95Å; K354-E425 WeakPolarHBondContact CE-OE1 3.49Å; K354-E425 IonicContact NZ-OE1 3.47Å; K354-E425 PolarHBondContact NZ-OE1 3.25Å
355	K	93	Very high	94.5	Very high	118 Å²	118	35.4 Å²	35.4	51%	0.513	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.5	173.1	-67.9	-176.5	177.7	-170.3	0	114.7	V351 W352 A353 T357	V351-K355 WeakPolarHBondContact O-CG 3.37Å; V351-K355 PolarHBondContact O-N 3.24Å; W352-K355 HydrophobicContact CE3-CD 3.99Å; W352-K355 HydrophobicContact CZ3-CD 3.97Å; W352-K355 PolarHBondContact O-N 2.78Å; A353-K355 PolarHBondContact O-N 3.27Å; K355-T357 HydrophobicContact CB-CG2 4.15Å; K355-T357 PolarHBondContact O-N 3.04Å
356	G	92.6	Very high	94.5	Very high	19 Å²	19	37.5 Å²	37.5	20%	0.196	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	11.3	-177.5	0	0	0	0	0	115.1	W352 A353 K354 L358	W352-G356 PolarHBondContact O-N 3.04Å; A353-G356 WeakPolarHBondContact O-CA 3.35Å; A353-G356 PolarHBondContact O-N 3.4Å; K354-G356 VanDerWaalsContact C-N 3.33Å; G356-L358 PolarHBondContact O-N 3.28Å; G356-L358 VanDerWaalsContact O-N 3.12Å
357	T	92.4	Very high	94.5	Very high	47 Å²	47	38.2 Å²	38.2	29%	0.288	19%	0.187	S	C	.	.			trans	-89.9	70.9	-167.7	49.8	0	0	0	0	113.6	W352 K355 N359 Q360 I361 C386	W352-T357 WeakPolarHBondContact CB-OG1 3.37Å; W352-T357 VanDerWaalsContact CE3-OG1 3.3Å; W352-T357 PolarHBondContact O-N 3.29Å; W352-T357 PolarHBondContact O-OG1 2.8Å; K355-T357 HydrophobicContact CB-CG2 4.15Å; K355-T357 PolarHBondContact O-N 3.04Å; T357-N359 PolarHBondContact O-N 2.98Å; T357-Q360 PolarHBondContact O-N 3.28Å; T357-I361 PolarHBondContact O-N 2.81Å; T357-C386 PolarHBondContact N-SG 3.38Å
358	L	90.8	Very high	94.5	Very high	40 Å²	40	37.3 Å²	37.3	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-54.2	-29.5	-176.5	-169.6	64	0	0	0	114.4	G356 Q360 I361 G362 C386 M387 V397	G356-L358 PolarHBondContact O-N 3.28Å; G356-L358 VanDerWaalsContact O-N 3.12Å; L358-Q360 VanDerWaalsContact C-N 3.31Å; L358-Q360 PolarHBondContact O-N 3.28Å; L358-I361 HydrophobicContact CD1-CB 4.32Å; L358-I361 HydrophobicContact CD1-CG2 4.4Å; L358-I361 WeakPolarHBondContact O-CB 3.47Å; L358-I361 PolarHBondContact O-N 2.98Å; L358-G362 PolarHBondContact O-N 3.12Å; L358-C386 HydrophobicContact CD1-CB 4.42Å; L358-C386 PolarHBondContact N-SG 3.15Å; L358-C386 VanDerWaalsContact N-SG 3.37Å; L358-M387 HydrophobicContact CD1-CE 3.79Å; L358-M387 HydrophobicContact CD1-CG 4.16Å; L358-M387 HydrophobicContact CD2-CE 4.42Å; L358-M387 HydrophobicContact CD2-CG 4.36Å; L358-V397 HydrophobicContact CD2-CG1 4.27Å
359	N	92.2	Very high	94.4	Very high	108 Å²	108	40.1 Å²	40.1	58%	0.578	20%	0.196	S	C	*	.	H	α-helix	trans	-64.7	-31.3	174.6	-69.9	-10.2	0	0	0	113.4	T357 R363	T357-N359 PolarHBondContact O-N 2.98Å; N359-R363 WeakPolarHBondContact O-CG 3.27Å; N359-R363 PolarHBondContact O-N 3.29Å
360	Q	94.1	Very high	94.3	Very high	43 Å²	43	44.9 Å²	44.9	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-79.7	-37.6	175.6	-55.8	-71.3	13.1	0	0	110.8	W352 T357 L358 G362 R363 I364	W352-Q360 HydrophobicContact CB-CB 3.94Å; W352-Q360 HydrophobicContact CD2-CB 3.53Å; W352-Q360 HydrophobicContact CD2-CG 3.85Å; W352-Q360 HydrophobicContact CE3-CB 4.06Å; W352-Q360 HydrophobicContact CE3-CG 3.88Å; W352-Q360 HydrophobicContact CG-CB 3.44Å; W352-Q360 VanDerWaalsContact CG-CB 3.44Å; W352-Q360 HydrophobicContact CG-CG 4.29Å; W352-Q360 HydrophobicContact CZ3-CG 4.23Å; T357-Q360 PolarHBondContact O-N 3.28Å; L358-Q360 VanDerWaalsContact C-N 3.31Å; L358-Q360 PolarHBondContact O-N 3.28Å; Q360-G362 VanDerWaalsContact C-N 3.31Å; Q360-G362 PolarHBondContact O-N 2.68Å; Q360-R363 WeakPolarHBondContact O-CB 3.43Å; Q360-R363 PolarHBondContact O-N 2.77Å; Q360-R363 VanDerWaalsContact O-N 3.08Å; Q360-I364 WeakPolarHBondContact O-CG1 3.36Å; Q360-I364 PolarHBondContact O-N 2.77Å
361	I	94.4	Very high	94.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-52.3	-50.2	168.9	-61.8	-68.1	0	0	0	110.4	M349 W352 A353 T357 L358 R363 I364 F365 A383 C386	M349-I361 HydrophobicContact CB-CD1 4.01Å; M349-I361 WeakPolarHBondContact O-CD1 3.43Å; W352-I361 HydrophobicContact CB-CD1 3.87Å; W352-I361 HydrophobicContact CB-CG1 4.22Å; A353-I361 HydrophobicContact CB-CD1 4.21Å; T357-I361 PolarHBondContact O-N 2.81Å; L358-I361 HydrophobicContact CD1-CB 4.32Å; L358-I361 HydrophobicContact CD1-CG2 4.4Å; L358-I361 WeakPolarHBondContact O-CB 3.47Å; L358-I361 PolarHBondContact O-N 2.98Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 3.37Å; I361-I364 PolarHBondContact O-N 3.46Å; I361-I364 VanDerWaalsContact O-N 3.07Å; I361-F365 HydrophobicContact CG2-CD2 3.78Å; I361-F365 HydrophobicContact CG2-CE2 3.48Å; I361-F365 VanDerWaalsContact CG2-CE2 3.48Å; I361-F365 WeakPolarHBondContact O-CD2 3.49Å; I361-F365 PolarHBondContact O-N 3.13Å; I361-A383 HydrophobicContact CG2-CB 4.1Å; I361-C386 HydrophobicContact CD1-CB 4.47Å; I361-C386 HydrophobicContact CG1-CB 4.03Å
362	G	93.6	Very high	94.1	Very high	18 Å²	18	46.9 Å²	46.9	19%	0.186	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-36.5	176.4	0	0	0	0	0	113.8	L358 Q360 F365 I366	L358-G362 PolarHBondContact O-N 3.12Å; Q360-G362 VanDerWaalsContact C-N 3.31Å; Q360-G362 PolarHBondContact O-N 2.68Å; G362-F365 PolarHBondContact O-N 3.02Å; G362-I366 WeakPolarHBondContact O-CG1 3.34Å; G362-I366 PolarHBondContact O-N 3.25Å
363	R	95.1	Very high	94.1	Very high	147 Å²	147	48.1 Å²	48.1	56%	0.555	26%	0.261	S	S	*	.	H	α-helix	trans	-67.9	-39.3	173.6	-72.5	164.3	168.7	-172.9	-4.5	112.6	N359 Q360 I361 F365 I366 L367	N359-R363 WeakPolarHBondContact O-CG 3.27Å; N359-R363 PolarHBondContact O-N 3.29Å; Q360-R363 WeakPolarHBondContact O-CB 3.43Å; Q360-R363 PolarHBondContact O-N 2.77Å; Q360-R363 VanDerWaalsContact O-N 3.08Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 3.37Å; R363-F365 VanDerWaalsContact C-N 3.35Å; R363-I366 PolarHBondContact O-N 3.09Å; R363-L367 WeakPolarHBondContact O-CG 3.35Å; R363-L367 PolarHBondContact O-N 3.47Å; R363-L367 VanDerWaalsContact O-N 3.07Å
364	I	96.1	Very high	94	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-38.6	175.7	-53.2	-53.7	0	0	0	110.6	Y345 M348 M349 Q360 I361 I366 L367 L368	Y345-I364 HydrophobicContact CD1-CG2 4.08Å; Y345-I364 HydrophobicContact CG-CG2 4.39Å; M348-I364 HydrophobicContact CB-CD1 4.29Å; M349-I364 HydrophobicContact CE-CB 4.05Å; M349-I364 HydrophobicContact CE-CG2 3.65Å; M349-I364 HydrophobicContact CG-CB 3.92Å; M349-I364 HydrophobicContact CG-CG1 4.41Å; M349-I364 HydrophobicContact CG-CG2 3.64Å; Q360-I364 WeakPolarHBondContact O-CG1 3.36Å; Q360-I364 PolarHBondContact O-N 2.77Å; I361-I364 PolarHBondContact O-N 3.46Å; I361-I364 VanDerWaalsContact O-N 3.07Å; I364-I366 VanDerWaalsContact C-N 3.3Å; I364-I366 PolarHBondContact O-N 3.19Å; I364-L367 HydrophobicContact CD1-CD1 4.14Å; I364-L367 PolarHBondContact O-N 3.33Å; I364-L368 WeakPolarHBondContact O-CB 3.39Å; I364-L368 PolarHBondContact O-N 2.85Å
365	F	95.7	Very high	94.1	Very high	14 Å²	14	53.8 Å²	53.8	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-38.3	172	-80.7	-62.8	0	0	0	113.1	M349 I361 G362 R363 L368 E369 P375 A383	M349-F365 HydrophobicContact CE-CD1 3.71Å; M349-F365 HydrophobicContact CE-CD2 4.36Å; M349-F365 HydrophobicContact CE-CE1 3.79Å; M349-F365 HydrophobicContact CE-CE2 4.44Å; M349-F365 HydrophobicContact CE-CG 4Å; M349-F365 HydrophobicContact CE-CZ 4.17Å; M349-F365 HydrophobicContact SD-CE1 4.36Å; M349-F365 HydrophobicContact SD-CZ 4.23Å; I361-F365 HydrophobicContact CG2-CD2 3.78Å; I361-F365 HydrophobicContact CG2-CE2 3.48Å; I361-F365 VanDerWaalsContact CG2-CE2 3.48Å; I361-F365 WeakPolarHBondContact O-CD2 3.49Å; I361-F365 PolarHBondContact O-N 3.13Å; G362-F365 PolarHBondContact O-N 3.02Å; R363-F365 VanDerWaalsContact C-N 3.35Å; F365-L368 WeakPolarHBondContact O-CB 3.06Å; F365-L368 PolarHBondContact O-N 3.28Å; F365-E369 PolarHBondContact O-N 2.93Å; F365-P375 HydrophobicContact CD1-CG 3.97Å; F365-P375 HydrophobicContact CE1-CB 3.99Å; F365-P375 HydrophobicContact CE1-CG 3.78Å; F365-A383 HydrophobicContact CE2-CB 3.91Å; F365-A383 HydrophobicContact CZ-CB 4.02Å
366	I	95.3	Very high	94.1	Very high	44 Å²	44	50.3 Å²	50.3	23%	0.226	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-45	174.9	-66.7	164.5	0	0	0	110.9	R5 G362 R363 I364 L368 E369 E370	R5-I366 HydrophobicContact CG-CD1 4.46Å; R5-I366 HydrophobicContact CG-CG1 4.45Å; G362-I366 WeakPolarHBondContact O-CG1 3.34Å; G362-I366 PolarHBondContact O-N 3.25Å; R363-I366 PolarHBondContact O-N 3.09Å; I364-I366 VanDerWaalsContact C-N 3.3Å; I364-I366 PolarHBondContact O-N 3.19Å; I366-L368 PolarHBondContact O-N 2.87Å; I366-E369 PolarHBondContact O-N 3.37Å; I366-E370 HydrophobicContact CG2-CG 4.46Å; I366-E370 WeakPolarHBondContact CG2-OE1 3.45Å; I366-E370 WeakPolarHBondContact O-CB 3.43Å; I366-E370 WeakPolarHBondContact O-CG 3.13Å; I366-E370 PolarHBondContact O-N 3.48Å
367	L	95.6	Very high	94.3	Very high	27 Å²	27	49.9 Å²	49.9	14%	0.141	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-28.1	175.4	-64.7	174	0	0	0	113	L328 H331 Y345 R363 I364 A371	L328-L367 HydrophobicContact CD2-CD1 3.86Å; L328-L367 HydrophobicContact CD2-CD2 4.31Å; H331-L367 PolarHBondContact CE1-O 3.35Å; Y345-L367 HydrophobicContact CD1-CB 4.42Å; Y345-L367 HydrophobicContact CE1-CB 4.01Å; R363-L367 WeakPolarHBondContact O-CG 3.35Å; R363-L367 PolarHBondContact O-N 3.47Å; R363-L367 VanDerWaalsContact O-N 3.07Å; I364-L367 HydrophobicContact CD1-CD1 4.14Å; I364-L367 PolarHBondContact O-N 3.33Å; L367-A371 WeakPolarHBondContact O-CB 3.42Å; L367-A371 PolarHBondContact O-N 3.21Å; L367-A371 VanDerWaalsContact O-N 3.14Å
368	L	95.1	Very high	94.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-76.8	-43	179.1	-155.5	152.4	0	0	0	110.8	T342 Y345 M349 I364 F365 I366 A371 G372 L373 K374	T342-L368 HydrophobicContact CG2-CD1 4.14Å; Y345-L368 HydrophobicContact CD2-CD1 4.39Å; Y345-L368 HydrophobicContact CD2-CG 4.28Å; Y345-L368 HydrophobicContact CG-CD1 4.29Å; Y345-L368 HydrophobicContact CG-CG 4.49Å; M349-L368 HydrophobicContact CE-CD1 3.73Å; I364-L368 WeakPolarHBondContact O-CB 3.39Å; I364-L368 PolarHBondContact O-N 2.85Å; F365-L368 WeakPolarHBondContact O-CB 3.06Å; F365-L368 PolarHBondContact O-N 3.28Å; I366-L368 PolarHBondContact O-N 2.87Å; L368-A371 PolarHBondContact O-N 2.86Å; L368-A371 VanDerWaalsContact O-N 3.16Å; L368-G372 PolarHBondContact O-N 2.65Å; L368-L373 HydrophobicContact CD2-CB 3.52Å; L368-L373 HydrophobicContact CG-CB 4.05Å; L368-L373 PolarHBondContact O-N 3.33Å; L368-L373 VanDerWaalsContact O-N 3.12Å; L368-K374 WeakPolarHBondContact CD2-O 3.27Å
369	E	93.8	Very high	94.6	Very high	60 Å²	60	47.1 Å²	47.1	28%	0.28	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-44.8	168.8	-176.2	177.3	-139	0	0	111.4	M1 R5 F365 I366 A371 G372	M1-E369 WeakPolarHBondContact CB-OE1 3.48Å; R5-E369 IonicContact CZ-OE2 2.68Å; R5-E369 IonicContact NE-OE2 2.69Å; R5-E369 PolarHBondContact NE-OE2 2.81Å; R5-E369 IonicContact NH2-OE1 3.12Å; R5-E369 IonicContact NH2-OE2 3.59Å; R5-E369 PolarHBondContact NH2-OE2 3.38Å; F365-E369 PolarHBondContact O-N 2.93Å; I366-E369 PolarHBondContact O-N 3.37Å; E369-A371 PolarHBondContact O-N 3.5Å; E369-G372 PolarHBondContact O-N 3.19Å
370	E	94.1	Very high	94.8	Very high	100 Å²	100	42 Å²	42	47%	0.467	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18	174.1	-77.9	-174.4	-142.2	0	0	114	H331 R337 I366	H331-E370 IonicContact NE2-OE2 3.5Å; H331-E370 PolarHBondContact NE2-OE2 2.94Å; R337-E370 PolarHBondContact NH1-O 2.94Å; R337-E370 IonicContact NH1-OE2 2.7Å; I366-E370 HydrophobicContact CG2-CG 4.46Å; I366-E370 WeakPolarHBondContact CG2-OE1 3.45Å; I366-E370 WeakPolarHBondContact O-CB 3.43Å; I366-E370 WeakPolarHBondContact O-CG 3.13Å; I366-E370 PolarHBondContact O-N 3.48Å
371	A	93.8	Very high	95	Very high	29 Å²	29	40.2 Å²	40.2	24%	0.24	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.1	172.7	0	0	0	0	0	113.4	R337 Y345 L367 L368 E369 L373	R337-A371 HydrophobicContact CG-CB 4.18Å; Y345-A371 HydrophobicContact CE2-CB 4.24Å; L367-A371 WeakPolarHBondContact O-CB 3.42Å; L367-A371 PolarHBondContact O-N 3.21Å; L367-A371 VanDerWaalsContact O-N 3.14Å; L368-A371 PolarHBondContact O-N 2.86Å; L368-A371 VanDerWaalsContact O-N 3.16Å; E369-A371 PolarHBondContact O-N 3.5Å; A371-L373 HydrophobicContact CB-CD1 3.86Å; A371-L373 HydrophobicContact CB-CG 3.91Å; A371-L373 PolarHBondContact O-N 2.86Å
372	G	93.4	Very high	95.1	Very high	72 Å²	72	40.2 Å²	40.2	74%	0.742	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	17.5	-172.5	0	0	0	0	0	113.3	L368 E369	L368-G372 PolarHBondContact O-N 2.65Å; E369-G372 PolarHBondContact O-N 3.19Å
373	L	95.1	Very high	95.2	Very high	50 Å²	50	39.5 Å²	39.5	26%	0.262	21%	0.211	S	C	.	.			trans	-92.9	165.5	178.9	-62.4	173	0	0	0	110.6	Y345 L368 A371	Y345-L373 HydrophobicContact CD2-CD1 3.88Å; Y345-L373 HydrophobicContact CE2-CD1 3.57Å; L368-L373 HydrophobicContact CD2-CB 3.52Å; L368-L373 HydrophobicContact CG-CB 4.05Å; L368-L373 PolarHBondContact O-N 3.33Å; L368-L373 VanDerWaalsContact O-N 3.12Å; A371-L373 HydrophobicContact CB-CD1 3.86Å; A371-L373 HydrophobicContact CB-CG 3.91Å; A371-L373 PolarHBondContact O-N 2.86Å
374	K	94.2	Very high	95.3	Very high	168 Å²	168	32.5 Å²	32.5	73%	0.73	18%	0.184	S	C	*	.			trans	-112.1	148	169.5	-68.9	-173	177.4	-176	0	110.9	T342 L368	T342-K374 WeakPolarHBondContact CG2-O 3.43Å; T342-K374 PolarHBondContact OG1-O 2.88Å; L368-K374 WeakPolarHBondContact CD2-O 3.27Å
375	P	94.9	Very high	95.3	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.091	18%	0.183	C	C	.	.			trans	-50.5	147	163.1	-27.2	37.2	0	0	0	111.6	M1 F365 Y380	M1-P375 HydrophobicContact CE-CG 4.16Å; F365-P375 HydrophobicContact CD1-CG 3.97Å; F365-P375 HydrophobicContact CE1-CB 3.99Å; F365-P375 HydrophobicContact CE1-CG 3.78Å; P375-Y380 HydrophobicContact CB-CD2 4.11Å; P375-Y380 HydrophobicContact CB-CE2 3.55Å; P375-Y380 HydrophobicContact CG-CE2 4.4Å
376	N	94.6	Very high	95.4	Very high	45 Å²	45	31.6 Å²	31.6	24%	0.241	18%	0.18	C	C	.	.			trans	-118.9	-177.2	166.8	69.2	4.3	0	0	0	110.4	T342 D343 N346 S378 S379 Y380	T342-N376 HydrophobicContact CG2-CB 3.98Å; T342-N376 VanDerWaalsContact CG2-CG 3.48Å; D343-N376 PolarHBondContact OD1-ND2 3.02Å; N346-N376 PolarHBondContact ND2-OD1 3.27Å; N376-S378 PolarHBondContact O-N 3.17Å; N376-S378 WeakPolarHBondContact OD1-CB 3.26Å; N376-S378 PolarHBondContact OD1-N 3.32Å; N376-S379 PolarHBondContact N-OG 3.47Å; N376-S379 VanDerWaalsContact N-OG 3.13Å; N376-S379 WeakPolarHBondContact O-CA 3.43Å; N376-S379 VanDerWaalsContact O-CB 3.31Å; N376-S379 WeakPolarHBondContact O-CB 3.48Å; N376-S379 PolarHBondContact O-N 3.03Å; N376-S379 PolarHBondContact OD1-N 3.16Å; N376-S379 VanDerWaalsContact OD1-N 3.09Å; N376-S379 PolarHBondContact OD1-OG 2.98Å; N376-Y380 PolarHBondContact O-N 3.4Å; N376-Y380 VanDerWaalsContact O-N 3.11Å
377	V	94.8	Very high	95.4	Very high	10 Å²	10	30 Å²	30	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-50.2	-44.3	178.3	-171.5	0	0	0	0	111.6	S379 Y380 S381 L410 D414 L415 E418	V377-S379 PolarHBondContact O-N 3.38Å; V377-Y380 PolarHBondContact O-N 3.08Å; V377-S381 WeakPolarHBondContact O-CB 3.29Å; V377-S381 PolarHBondContact O-N 3.44Å; V377-L410 HydrophobicContact CG2-CD1 4.1Å; V377-L410 HydrophobicContact CG2-CD2 3.96Å; V377-D414 WeakPolarHBondContact CG1-O 3.49Å; V377-L415 VanDerWaalsContact CG1-CA 3.5Å; V377-L415 HydrophobicContact CG1-CB 4.41Å; V377-L415 HydrophobicContact CG1-CD2 3.8Å; V377-L415 HydrophobicContact CG1-CG 4.4Å; V377-L415 WeakPolarHBondContact O-CD2 3.21Å; V377-E418 HydrophobicContact CG1-CB 4.28Å; V377-E418 WeakPolarHBondContact CG2-OE2 3.35Å
378	S	94.3	Very high	95.3	Very high	30 Å²	30	29 Å²	29	21%	0.21	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-30.6	175.7	-81.7	0	0	0	0	114.5	N346 N376 A382	N346-S378 WeakPolarHBondContact ND2-CB 3.42Å; N376-S378 PolarHBondContact O-N 3.17Å; N376-S378 WeakPolarHBondContact OD1-CB 3.26Å; N376-S378 PolarHBondContact OD1-N 3.32Å; S378-A382 PolarHBondContact O-N 3.06Å; S378-A382 VanDerWaalsContact O-N 3.14Å
379	S	96.6	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-44.9	173	-48.8	0	0	0	0	111.7	T342 N346 N376 V377 A383	T342-S379 WeakPolarHBondContact CG2-OG 3.48Å; N346-S379 VanDerWaalsContact OD1-CA 3.31Å; N346-S379 WeakPolarHBondContact OD1-CA 3.34Å; N346-S379 WeakPolarHBondContact OD1-CB 3.48Å; N346-S379 PolarHBondContact OD1-N 3.01Å; N346-S379 PolarHBondContact OD1-OG 3.16Å; N376-S379 PolarHBondContact N-OG 3.47Å; N376-S379 VanDerWaalsContact N-OG 3.13Å; N376-S379 WeakPolarHBondContact O-CA 3.43Å; N376-S379 VanDerWaalsContact O-CB 3.31Å; N376-S379 WeakPolarHBondContact O-CB 3.48Å; N376-S379 PolarHBondContact O-N 3.03Å; N376-S379 PolarHBondContact OD1-N 3.16Å; N376-S379 VanDerWaalsContact OD1-N 3.09Å; N376-S379 PolarHBondContact OD1-OG 2.98Å; V377-S379 PolarHBondContact O-N 3.38Å; S379-A383 PolarHBondContact O-N 3.13Å; S379-A383 VanDerWaalsContact O-N 3.16Å
380	Y	96.9	Very high	95.2	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-37	176.8	-77.6	-68	0	0	0	111.9	P375 N376 V377 A383 L384 Q404 M405 D408 L410	P375-Y380 HydrophobicContact CB-CD2 4.11Å; P375-Y380 HydrophobicContact CB-CE2 3.55Å; P375-Y380 HydrophobicContact CG-CE2 4.4Å; N376-Y380 PolarHBondContact O-N 3.4Å; N376-Y380 VanDerWaalsContact O-N 3.11Å; V377-Y380 PolarHBondContact O-N 3.08Å; Y380-A383 WeakPolarHBondContact O-CB 3.09Å; Y380-A383 PolarHBondContact O-N 3.03Å; Y380-L384 WeakPolarHBondContact O-CG 3.33Å; Y380-L384 PolarHBondContact O-N 2.68Å; Y380-Q404 WeakPolarHBondContact OH-CG 3.5Å; Y380-M405 HydrophobicContact CD1-CB 3.91Å; Y380-M405 HydrophobicContact CD1-CG 4.17Å; Y380-M405 HydrophobicContact CD1-SD 4.42Å; Y380-M405 HydrophobicContact CD2-CB 4.3Å; Y380-M405 HydrophobicContact CD2-CG 3.87Å; Y380-M405 HydrophobicContact CD2-SD 4.47Å; Y380-M405 HydrophobicContact CE1-CB 3.97Å; Y380-M405 HydrophobicContact CE2-CB 4.32Å; Y380-M405 HydrophobicContact CE2-CG 4.25Å; Y380-M405 HydrophobicContact CG-CB 4.1Å; Y380-M405 HydrophobicContact CG-CG 3.83Å; Y380-M405 HydrophobicContact CG-SD 3.98Å; Y380-D408 HydrophobicContact CE2-CB 4.4Å; Y380-D408 PolarHBondContact OH-OD2 2.92Å; Y380-L410 HydrophobicContact CD2-CD1 3.88Å; Y380-L410 HydrophobicContact CE2-CD1 4.17Å
381	S	96.6	Very high	94.5	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-52.2	173.5	-177.1	0	0	0	0	112.2	V377 A383 L384 E385 C419 L429	V377-S381 WeakPolarHBondContact O-CB 3.29Å; V377-S381 PolarHBondContact O-N 3.44Å; S381-A383 VanDerWaalsContact C-N 3.29Å; S381-A383 PolarHBondContact O-N 3.14Å; S381-L384 PolarHBondContact O-N 3.05Å; S381-E385 VanDerWaalsContact O-CB 3.32Å; S381-E385 WeakPolarHBondContact O-CB 3.48Å; S381-E385 PolarHBondContact O-N 3.19Å; S381-C419 WeakPolarHBondContact CB-SG 3.44Å; S381-L429 VanDerWaalsContact OG-CD1 3.23Å; S381-L429 WeakPolarHBondContact OG-CD1 3.46Å
382	A	96.6	Very high	94	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-32.4	177.9	0	0	0	0	0	112.5	M349 A353 S378 C386	M349-A382 HydrophobicContact CB-CB 3.7Å; A353-A382 HydrophobicContact CB-CB 4.19Å; A353-A382 WeakPolarHBondContact CB-O 3.32Å; S378-A382 PolarHBondContact O-N 3.06Å; S378-A382 VanDerWaalsContact O-N 3.14Å; A382-C386 VanDerWaalsContact O-CB 3.29Å; A382-C386 WeakPolarHBondContact O-CB 3.39Å; A382-C386 PolarHBondContact O-N 3.17Å; A382-C386 VanDerWaalsContact O-N 3.13Å
383	A	96.7	Very high	93.7	Very high	2 Å²	2	38.6 Å²	38.6	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-43.9	175.4	0	0	0	0	0	112.4	I361 F365 S379 Y380 S381 C386 M387	I361-A383 HydrophobicContact CG2-CB 4.1Å; F365-A383 HydrophobicContact CE2-CB 3.91Å; F365-A383 HydrophobicContact CZ-CB 4.02Å; S379-A383 PolarHBondContact O-N 3.13Å; S379-A383 VanDerWaalsContact O-N 3.16Å; Y380-A383 WeakPolarHBondContact O-CB 3.09Å; Y380-A383 PolarHBondContact O-N 3.03Å; S381-A383 VanDerWaalsContact C-N 3.29Å; S381-A383 PolarHBondContact O-N 3.14Å; A383-C386 WeakPolarHBondContact O-CB 3.45Å; A383-C386 PolarHBondContact O-N 3.27Å; A383-M387 WeakPolarHBondContact O-CG 3.25Å; A383-M387 PolarHBondContact O-N 2.93Å
384	L	96.6	Very high	93.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.5	-41.3	179.3	-70.5	167.2	0	0	0	112	Y380 S381 C386 M387 G388 I398 C401 L402 L415 L429 A432	Y380-L384 WeakPolarHBondContact O-CG 3.33Å; Y380-L384 PolarHBondContact O-N 2.68Å; S381-L384 PolarHBondContact O-N 3.05Å; L384-C386 VanDerWaalsContact C-N 3.27Å; L384-C386 PolarHBondContact O-N 3.17Å; L384-M387 HydrophobicContact CD2-SD 4.27Å; L384-M387 WeakPolarHBondContact O-CA 3.38Å; L384-M387 WeakPolarHBondContact O-CB 3.5Å; L384-M387 PolarHBondContact O-N 3.27Å; L384-G388 PolarHBondContact O-N 2.88Å; L384-I398 HydrophobicContact CD2-CG2 4.03Å; L384-C401 HydrophobicContact CD2-CB 4.26Å; L384-L402 HydrophobicContact CD1-CD2 3.99Å; L384-L402 HydrophobicContact CD2-CD2 4.11Å; L384-L415 HydrophobicContact CD1-CD1 3.55Å; L384-L429 HydrophobicContact CB-CG 4.01Å; L384-A432 HydrophobicContact CB-CB 4.4Å; L384-A432 WeakPolarHBondContact O-CB 3.41Å
385	E	96.7	Very high	93.3	Very high	3 Å²	3	35 Å²	35	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-52.7	-46.6	170.2	-173.9	-147	156.7	0	0	111.1	A353 K354 S381 M387 G388 R389 M428	A353-E385 HydrophobicContact CB-CB 4.36Å; A353-E385 HydrophobicContact CB-CG 4.44Å; A353-E385 WeakPolarHBondContact CB-OE2 3.3Å; K354-E385 VanDerWaalsContact CG-OE1 3.29Å; K354-E385 WeakPolarHBondContact CG-OE1 3.38Å; S381-E385 VanDerWaalsContact O-CB 3.32Å; S381-E385 WeakPolarHBondContact O-CB 3.48Å; S381-E385 PolarHBondContact O-N 3.19Å; E385-M387 PolarHBondContact O-N 3.3Å; E385-G388 PolarHBondContact O-N 2.61Å; E385-R389 WeakPolarHBondContact O-CG 3.35Å; E385-R389 PolarHBondContact O-N 3.38Å; E385-R389 IonicContact OE1-CZ 2.68Å; E385-R389 IonicContact OE1-NE 3.46Å; E385-R389 PolarHBondContact OE1-NE 2.96Å; E385-R389 IonicContact OE1-NH2 3.4Å; E385-R389 PolarHBondContact OE1-NH2 3.47Å; E385-M428 HydrophobicContact CG-CB 4.02Å
386	C	96.7	Very high	93.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-33.2	176.9	-165	0	0	0	0	113	A353 T357 L358 I361 A382 A383 L384 N390	A353-C386 HydrophobicContact CB-CB 3.99Å; T357-C386 PolarHBondContact N-SG 3.38Å; L358-C386 HydrophobicContact CD1-CB 4.42Å; L358-C386 PolarHBondContact N-SG 3.15Å; L358-C386 VanDerWaalsContact N-SG 3.37Å; I361-C386 HydrophobicContact CD1-CB 4.47Å; I361-C386 HydrophobicContact CG1-CB 4.03Å; A382-C386 VanDerWaalsContact O-CB 3.29Å; A382-C386 WeakPolarHBondContact O-CB 3.39Å; A382-C386 PolarHBondContact O-N 3.17Å; A382-C386 VanDerWaalsContact O-N 3.13Å; A383-C386 WeakPolarHBondContact O-CB 3.45Å; A383-C386 PolarHBondContact O-N 3.27Å; L384-C386 VanDerWaalsContact C-N 3.27Å; L384-C386 PolarHBondContact O-N 3.17Å; C386-N390 WeakPolarHBondContact O-CB 3.47Å; C386-N390 PolarHBondContact O-N 3.05Å
387	M	95.7	Very high	93.1	Very high	11 Å²	11	42.1 Å²	42.1	5%	0.054	22%	0.217	C	C	.	.	H	α-helix	trans	-75.4	-44.9	176.8	-64.6	172.3	-163.7	0	0	111.4	L358 A383 L384 E385 R389 N390 C393 V397 I398 C401 A432	L358-M387 HydrophobicContact CD1-CE 3.79Å; L358-M387 HydrophobicContact CD1-CG 4.16Å; L358-M387 HydrophobicContact CD2-CE 4.42Å; L358-M387 HydrophobicContact CD2-CG 4.36Å; A383-M387 WeakPolarHBondContact O-CG 3.25Å; A383-M387 PolarHBondContact O-N 2.93Å; L384-M387 HydrophobicContact CD2-SD 4.27Å; L384-M387 WeakPolarHBondContact O-CA 3.38Å; L384-M387 WeakPolarHBondContact O-CB 3.5Å; L384-M387 PolarHBondContact O-N 3.27Å; E385-M387 PolarHBondContact O-N 3.3Å; M387-R389 VanDerWaalsContact C-N 3.33Å; M387-R389 PolarHBondContact O-N 3.12Å; M387-N390 CarbonylContact O-C 3.59Å; M387-N390 PolarHBondContact O-N 2.97Å; M387-N390 VanDerWaalsContact O-O 3.13Å; M387-C393 HydrophobicContact CB-CB 4.41Å; M387-V397 HydrophobicContact CE-CG1 4.24Å; M387-V397 HydrophobicContact SD-CG1 4.48Å; M387-I398 HydrophobicContact CB-CD1 4.31Å; M387-I398 HydrophobicContact CB-CG1 4.02Å; M387-I398 HydrophobicContact CG-CG1 4.38Å; M387-I398 HydrophobicContact SD-CB 4.32Å; M387-I398 HydrophobicContact SD-CG1 3.84Å; M387-C401 HydrophobicContact CE-CB 3.95Å; M387-C401 HydrophobicContact SD-CB 4.24Å; M387-A432 HydrophobicContact CB-CB 4.47Å
388	G	94.5	Very high	93.1	Very high	5 Å²	5	41.8 Å²	41.8	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-28.5	179.6	0	0	0	0	0	114.6	L384 E385 M428 K431	L384-G388 PolarHBondContact O-N 2.88Å; E385-G388 PolarHBondContact O-N 2.61Å; G388-M428 WeakPolarHBondContact CA-O 3.49Å; G388-K431 PolarHBondContact O-NZ 3.14Å
389	R	94.8	Very high	93.1	Very high	58 Å²	58	42.2 Å²	42.2	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-71.7	-32.9	168	-69.1	-174.4	-166.4	-78.1	0	112.7	A353 E385 M387 K391 D424 M428	A353-R389 WeakPolarHBondContact O-CD 3.49Å; E385-R389 WeakPolarHBondContact O-CG 3.35Å; E385-R389 PolarHBondContact O-N 3.38Å; E385-R389 IonicContact OE1-CZ 2.68Å; E385-R389 IonicContact OE1-NE 3.46Å; E385-R389 PolarHBondContact OE1-NE 2.96Å; E385-R389 IonicContact OE1-NH2 3.4Å; E385-R389 PolarHBondContact OE1-NH2 3.47Å; M387-R389 VanDerWaalsContact C-N 3.33Å; M387-R389 PolarHBondContact O-N 3.12Å; R389-K391 PolarHBondContact O-N 3.03Å; R389-D424 IonicContact CZ-OD1 3.96Å; R389-D424 IonicContact CZ-OD2 3.33Å; R389-D424 VanDerWaalsContact NH1-CG 3.28Å; R389-D424 IonicContact NH1-OD1 2.89Å; R389-D424 PolarHBondContact NH1-OD1 3.44Å; R389-D424 VanDerWaalsContact NH1-OD1 3.12Å; R389-D424 IonicContact NH1-OD2 2.82Å; R389-D424 PolarHBondContact NH1-OD2 3.17Å; R389-D424 IonicContact NH2-OD1 3.94Å; R389-D424 PolarHBondContact NH2-OD1 3.17Å; R389-D424 IonicContact NH2-OD2 3.11Å; R389-M428 HydrophobicContact CG-CB 4.02Å; R389-M428 HydrophobicContact CG-CG 3.69Å; R389-M428 HydrophobicContact CG-SD 3.96Å
390	N	90.8	Very high	93	Very high	54 Å²	54	45.4 Å²	45.4	29%	0.289	23%	0.23	S	C	.	.			trans	-87.3	95.6	-176.2	-174.1	-13.4	0	0	0	111.7	C386 M387 N392 C393	C386-N390 WeakPolarHBondContact O-CB 3.47Å; C386-N390 PolarHBondContact O-N 3.05Å; M387-N390 CarbonylContact O-C 3.59Å; M387-N390 PolarHBondContact O-N 2.97Å; M387-N390 VanDerWaalsContact O-O 3.13Å; N390-N392 PolarHBondContact O-N 3.21Å; N390-N392 PolarHBondContact OD1-N 3.45Å; N390-C393 HydrophobicContact CB-CB 4.36Å; N390-C393 VanDerWaalsContact O-CB 3.29Å; N390-C393 WeakPolarHBondContact O-CB 3.18Å; N390-C393 PolarHBondContact O-N 3.07Å
391	K	81.1	Confident	92.9	Very high	194 Å²	194	45.6 Å²	45.6	84%	0.843	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-23.4	177.7	-62.8	-173.2	-180	-175.4	0	114.8	R389	R389-K391 PolarHBondContact O-N 3.03Å
392	N	83.4	Confident	92.8	Very high	143 Å²	143	45.7 Å²	45.7	77%	0.765	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	13.1	-177.8	-61.6	-10.2	0	0	0	112.9	N390 P394	N390-N392 PolarHBondContact O-N 3.21Å; N390-N392 PolarHBondContact OD1-N 3.45Å; N392-P394 WeakPolarHBondContact O-CD 3.39Å
393	C	86.7	Confident	92.8	Very high	16 Å²	16	49 Å²	49	11%	0.108	25%	0.249	C	C	.	.			trans	-77.9	118.4	177.9	-161.5	0	0	0	0	111.1	M387 N390	M387-C393 HydrophobicContact CB-CB 4.41Å; N390-C393 HydrophobicContact CB-CB 4.36Å; N390-C393 VanDerWaalsContact O-CB 3.29Å; N390-C393 WeakPolarHBondContact O-CB 3.18Å; N390-C393 PolarHBondContact O-N 3.07Å
394	P	89.3	Confident	92.7	Very high	72 Å²	72	50.2 Å²	50.2	47%	0.468	25%	0.254	S	S	.	.			trans	-68.8	137.5	179.4	-18.7	32.2	0	0	0	111.3	N392 K396 V397	N392-P394 WeakPolarHBondContact O-CD 3.39Å; P394-K396 PolarHBondContact O-N 2.89Å; P394-V397 HydrophobicContact CB-CG2 4.32Å; P394-V397 HydrophobicContact CG-CG2 4.26Å; P394-V397 WeakPolarHBondContact O-CB 3.49Å; P394-V397 PolarHBondContact O-N 3.27Å
395	P	91.8	Very high	92.6	Very high	69 Å²	69	50.3 Å²	50.3	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-53.8	-30.6	179.4	-28.4	34.4	0	0	0	114.1	V397 I398 S399 T435 V436	P395-V397 PolarHBondContact O-N 3.36Å; P395-I398 PolarHBondContact O-N 3.16Å; P395-I398 VanDerWaalsContact O-N 3.13Å; P395-S399 PolarHBondContact O-N 3.34Å; P395-T435 HydrophobicContact CB-CG2 4.46Å; P395-T435 HydrophobicContact CG-CG2 4.05Å; P395-V436 HydrophobicContact CB-CG2 4.26Å
396	K	92.2	Very high	92.5	Very high	185 Å²	185	58 Å²	58	80%	0.804	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-30.3	173.9	-63.2	-175.2	179	-178.1	0	113.5	P394 R400	P394-K396 PolarHBondContact O-N 2.89Å; K396-R400 WeakPolarHBondContact O-CB 3.49Å; K396-R400 PolarHBondContact O-N 2.81Å
397	V	92.6	Very high	92.4	Very high	25 Å²	25	65.3 Å²	65.3	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-74.6	-39.5	176.4	-179.4	0	0	0	0	110.7	L358 M387 P394 P395 C401	L358-V397 HydrophobicContact CD2-CG1 4.27Å; M387-V397 HydrophobicContact CE-CG1 4.24Å; M387-V397 HydrophobicContact SD-CG1 4.48Å; P394-V397 HydrophobicContact CB-CG2 4.32Å; P394-V397 HydrophobicContact CG-CG2 4.26Å; P394-V397 WeakPolarHBondContact O-CB 3.49Å; P394-V397 PolarHBondContact O-N 3.27Å; P395-V397 PolarHBondContact O-N 3.36Å; V397-C401 PolarHBondContact O-N 3.13Å; V397-C401 VanDerWaalsContact O-N 3.15Å
398	I	94	Very high	92.3	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-66.4	-49	176.5	-55	176.4	0	0	0	110.1	L384 M387 P395 R400 C401 L402 A432 T435 V436	L384-I398 HydrophobicContact CD2-CG2 4.03Å; M387-I398 HydrophobicContact CB-CD1 4.31Å; M387-I398 HydrophobicContact CB-CG1 4.02Å; M387-I398 HydrophobicContact CG-CG1 4.38Å; M387-I398 HydrophobicContact SD-CB 4.32Å; M387-I398 HydrophobicContact SD-CG1 3.84Å; P395-I398 PolarHBondContact O-N 3.16Å; P395-I398 VanDerWaalsContact O-N 3.13Å; I398-R400 VanDerWaalsContact C-N 3.34Å; I398-R400 PolarHBondContact O-N 3.44Å; I398-C401 WeakPolarHBondContact O-CA 3.14Å; I398-C401 VanDerWaalsContact O-CB 3.23Å; I398-C401 WeakPolarHBondContact O-CB 3.41Å; I398-C401 PolarHBondContact O-N 2.97Å; I398-L402 HydrophobicContact CG2-CD1 4.36Å; I398-L402 PolarHBondContact O-N 3.3Å; I398-A432 WeakPolarHBondContact CG2-O 3.36Å; I398-T435 HydrophobicContact CD1-CG2 3.9Å; I398-V436 HydrophobicContact CB-CG2 3.66Å; I398-V436 HydrophobicContact CG2-CG2 3.63Å
399	S	94.8	Very high	92.3	Very high	40 Å²	40	70.6 Å²	70.6	28%	0.28	36%	0.362	S	S	.	.	H	α-helix	trans	-51.7	-52.6	174.8	-172.2	0	0	0	0	110.9	P395 C401 L402 D403	P395-S399 PolarHBondContact O-N 3.34Å; S399-C401 PolarHBondContact O-N 3.32Å; S399-C401 VanDerWaalsContact O-N 3.11Å; S399-L402 CarbonylContact O-C 3.58Å; S399-L402 WeakPolarHBondContact O-CA 3.46Å; S399-L402 WeakPolarHBondContact O-CB 3.42Å; S399-L402 PolarHBondContact O-N 3.43Å; S399-D403 VanDerWaalsContact C-OD2 3.22Å; S399-D403 PolarHBondContact O-N 2.64Å; S399-D403 PolarHBondContact OG-OD2 3.48Å
400	R	94.1	Very high	92.2	Very high	66 Å²	66	69.8 Å²	69.8	25%	0.249	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-25	179.6	-162.2	-167.2	66.1	-160.5	-10.1	113.3	L3 C7 K396 I398 Q404	L3-R400 PolarHBondContact O-NH1 3.15Å; C7-R400 PolarHBondContact SG-NH1 3.28Å; C7-R400 PolarHBondContact SG-NH2 3.12Å; K396-R400 WeakPolarHBondContact O-CB 3.49Å; K396-R400 PolarHBondContact O-N 2.81Å; I398-R400 VanDerWaalsContact C-N 3.34Å; I398-R400 PolarHBondContact O-N 3.44Å; R400-Q404 WeakPolarHBondContact O-CB 3.43Å; R400-Q404 PolarHBondContact O-N 3.35Å
401	C	95.2	Very high	92.3	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.034	36%	0.363	C	S	.	.	H	α-helix	trans	-71.1	-49.3	172.1	-165.3	0	0	0	0	110.8	L384 M387 V397 I398 S399 D403 Q404 M405	L384-C401 HydrophobicContact CD2-CB 4.26Å; M387-C401 HydrophobicContact CE-CB 3.95Å; M387-C401 HydrophobicContact SD-CB 4.24Å; V397-C401 PolarHBondContact O-N 3.13Å; V397-C401 VanDerWaalsContact O-N 3.15Å; I398-C401 WeakPolarHBondContact O-CA 3.14Å; I398-C401 VanDerWaalsContact O-CB 3.23Å; I398-C401 WeakPolarHBondContact O-CB 3.41Å; I398-C401 PolarHBondContact O-N 2.97Å; S399-C401 PolarHBondContact O-N 3.32Å; S399-C401 VanDerWaalsContact O-N 3.11Å; C401-D403 VanDerWaalsContact C-N 3.31Å; C401-D403 PolarHBondContact O-N 3.09Å; C401-Q404 PolarHBondContact O-N 3.44Å; C401-M405 WeakPolarHBondContact O-CB 3.36Å; C401-M405 PolarHBondContact O-N 2.81Å
402	L	95.4	Very high	92.9	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-38.5	174.9	-59.1	173.6	0	0	0	112.1	L384 I398 S399 M405 K406 V412 V436	L384-L402 HydrophobicContact CD1-CD2 3.99Å; L384-L402 HydrophobicContact CD2-CD2 4.11Å; I398-L402 HydrophobicContact CG2-CD1 4.36Å; I398-L402 PolarHBondContact O-N 3.3Å; S399-L402 CarbonylContact O-C 3.58Å; S399-L402 WeakPolarHBondContact O-CA 3.46Å; S399-L402 WeakPolarHBondContact O-CB 3.42Å; S399-L402 PolarHBondContact O-N 3.43Å; L402-M405 HydrophobicContact CD2-CE 4.05Å; L402-M405 PolarHBondContact O-N 2.84Å; L402-K406 WeakPolarHBondContact O-CB 3.21Å; L402-K406 PolarHBondContact O-N 2.96Å; L402-V412 HydrophobicContact CD2-CG2 4.15Å; L402-V436 HydrophobicContact CD1-CB 4.48Å; L402-V436 HydrophobicContact CD1-CG1 4.47Å
403	D	95.3	Very high	93.3	Very high	72 Å²	72	55 Å²	55	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-67.8	-36	177.6	-64.4	-44.4	0	0	0	112.6	S399 C401 K407	S399-D403 VanDerWaalsContact C-OD2 3.22Å; S399-D403 PolarHBondContact O-N 2.64Å; S399-D403 PolarHBondContact OG-OD2 3.48Å; C401-D403 VanDerWaalsContact C-N 3.31Å; C401-D403 PolarHBondContact O-N 3.09Å; D403-K407 WeakPolarHBondContact O-CD 3.33Å; D403-K407 VanDerWaalsContact O-CG 3.23Å; D403-K407 WeakPolarHBondContact O-CG 3.48Å; D403-K407 PolarHBondContact O-N 2.68Å
404	Q	94.4	Very high	93.5	Very high	28 Å²	28	55.8 Å²	55.8	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-74.9	-39	174	-176.2	64	75.5	0	0	111.1	Y380 R400 C401 K406 K407 D408	Y380-Q404 WeakPolarHBondContact OH-CG 3.5Å; R400-Q404 WeakPolarHBondContact O-CB 3.43Å; R400-Q404 PolarHBondContact O-N 3.35Å; C401-Q404 PolarHBondContact O-N 3.44Å; Q404-K406 VanDerWaalsContact C-N 3.35Å; Q404-K406 PolarHBondContact O-N 3.32Å; Q404-K407 CarbonylContact O-C 3.59Å; Q404-K407 WeakPolarHBondContact O-CB 3.47Å; Q404-K407 PolarHBondContact O-N 2.83Å; Q404-K407 VanDerWaalsContact O-N 3.12Å; Q404-D408 PolarHBondContact NE2-OD1 3.03Å; Q404-D408 PolarHBondContact O-N 2.74Å
405	M	95.4	Very high	93.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-44.3	174.4	-172.8	177.9	78.2	0	0	111.7	Y380 C401 L402 K407 D408 G409 L410 S411 V412 L415	Y380-M405 HydrophobicContact CD1-CB 3.91Å; Y380-M405 HydrophobicContact CD1-CG 4.17Å; Y380-M405 HydrophobicContact CD1-SD 4.42Å; Y380-M405 HydrophobicContact CD2-CB 4.3Å; Y380-M405 HydrophobicContact CD2-CG 3.87Å; Y380-M405 HydrophobicContact CD2-SD 4.47Å; Y380-M405 HydrophobicContact CE1-CB 3.97Å; Y380-M405 HydrophobicContact CE2-CB 4.32Å; Y380-M405 HydrophobicContact CE2-CG 4.25Å; Y380-M405 HydrophobicContact CG-CB 4.1Å; Y380-M405 HydrophobicContact CG-CG 3.83Å; Y380-M405 HydrophobicContact CG-SD 3.98Å; C401-M405 WeakPolarHBondContact O-CB 3.36Å; C401-M405 PolarHBondContact O-N 2.81Å; L402-M405 HydrophobicContact CD2-CE 4.05Å; L402-M405 PolarHBondContact O-N 2.84Å; M405-K407 VanDerWaalsContact C-N 3.34Å; M405-K407 PolarHBondContact O-N 2.82Å; M405-D408 PolarHBondContact O-N 2.83Å; M405-D408 VanDerWaalsContact O-N 3.17Å; M405-G409 PolarHBondContact O-N 3.49Å; M405-L410 CarbonylContact C-O 3.53Å; M405-L410 HydrophobicContact CG-CB 3.69Å; M405-L410 HydrophobicContact CG-CD1 4.49Å; M405-L410 PolarHBondContact O-N 3.23Å; M405-S411 WeakPolarHBondContact CE-O 3.44Å; M405-V412 HydrophobicContact CE-CB 4.35Å; M405-V412 HydrophobicContact CE-CG2 3.84Å; M405-L415 HydrophobicContact CE-CD1 4Å; M405-L415 HydrophobicContact CE-CG 4.49Å; M405-L415 HydrophobicContact SD-CD1 3.85Å; M405-L415 HydrophobicContact SD-CD2 3.9Å; M405-L415 HydrophobicContact SD-CG 4.06Å
406	K	94.9	Very high	93.6	Very high	164 Å²	164	49.5 Å²	49.5	71%	0.713	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-36.4	173.3	-173.2	175.8	179.9	179.2	0	112.6	L402 Q404 D408 G409	L402-K406 WeakPolarHBondContact O-CB 3.21Å; L402-K406 PolarHBondContact O-N 2.96Å; Q404-K406 VanDerWaalsContact C-N 3.35Å; Q404-K406 PolarHBondContact O-N 3.32Å; K406-D408 VanDerWaalsContact C-N 3.33Å; K406-G409 PolarHBondContact O-N 2.63Å
407	K	94.6	Very high	93.4	Very high	155 Å²	155	46.1 Å²	46.1	67%	0.674	24%	0.24	S	C	*	.	H	α-helix	trans	-70.7	-27	174.6	-75	167.3	-175.7	174.5	0	113.4	D403 Q404 M405	D403-K407 WeakPolarHBondContact O-CD 3.33Å; D403-K407 VanDerWaalsContact O-CG 3.23Å; D403-K407 WeakPolarHBondContact O-CG 3.48Å; D403-K407 PolarHBondContact O-N 2.68Å; Q404-K407 CarbonylContact O-C 3.59Å; Q404-K407 WeakPolarHBondContact O-CB 3.47Å; Q404-K407 PolarHBondContact O-N 2.83Å; Q404-K407 VanDerWaalsContact O-N 3.12Å; M405-K407 VanDerWaalsContact C-N 3.34Å; M405-K407 PolarHBondContact O-N 2.82Å
408	D	92.8	Very high	93.2	Very high	61 Å²	61	51.1 Å²	51.1	33%	0.326	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.3	173.6	-70.6	10.8	0	0	0	112.3	Y380 Q404 M405 K406	Y380-D408 HydrophobicContact CE2-CB 4.4Å; Y380-D408 PolarHBondContact OH-OD2 2.92Å; Q404-D408 PolarHBondContact NE2-OD1 3.03Å; Q404-D408 PolarHBondContact O-N 2.74Å; M405-D408 PolarHBondContact O-N 2.83Å; M405-D408 VanDerWaalsContact O-N 3.17Å; K406-D408 VanDerWaalsContact C-N 3.33Å
409	G	93.8	Very high	93	Very high	65 Å²	65	51.3 Å²	51.3	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	12.7	175.8	0	0	0	0	0	115.4	M405 K406	M405-G409 PolarHBondContact O-N 3.49Å; K406-G409 PolarHBondContact O-N 2.63Å
410	L	94.3	Very high	92.8	Very high	41 Å²	41	51.3 Å²	51.3	22%	0.215	26%	0.261	C	S	.	.			trans	-108.7	139.6	-174.8	-58.2	176.8	0	0	0	111.8	V377 Y380 M405	V377-L410 HydrophobicContact CG2-CD1 4.1Å; V377-L410 HydrophobicContact CG2-CD2 3.96Å; Y380-L410 HydrophobicContact CD2-CD1 3.88Å; Y380-L410 HydrophobicContact CE2-CD1 4.17Å; M405-L410 CarbonylContact C-O 3.53Å; M405-L410 HydrophobicContact CG-CB 3.69Å; M405-L410 HydrophobicContact CG-CD1 4.49Å; M405-L410 PolarHBondContact O-N 3.23Å
411	S	92.9	Very high	92.7	Very high	43 Å²	43	48.3 Å²	48.3	30%	0.301	25%	0.25	S	S	.	.			trans	-93.7	172.4	174	81	0	0	0	0	112.3	M405 D414	M405-S411 WeakPolarHBondContact CE-O 3.44Å; S411-D414 WeakPolarHBondContact CA-OD2 3.24Å; S411-D414 VanDerWaalsContact CB-OD2 3.23Å; S411-D414 WeakPolarHBondContact CB-OD2 3.14Å; S411-D414 PolarHBondContact N-OD2 3.47Å; S411-D414 PolarHBondContact OG-N 3.12Å; S411-D414 PolarHBondContact OG-OD1 3.48Å; S411-D414 PolarHBondContact OG-OD2 3.42Å
412	V	92.8	Very high	92.5	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-75.5	-35.9	177.3	-168.6	0	0	0	0	110.5	L402 M405 D414 L415 F416 V433 Y440	L402-V412 HydrophobicContact CD2-CG2 4.15Å; M405-V412 HydrophobicContact CE-CB 4.35Å; M405-V412 HydrophobicContact CE-CG2 3.84Å; V412-D414 VanDerWaalsContact C-N 3.29Å; V412-D414 PolarHBondContact O-N 3.13Å; V412-L415 HydrophobicContact CG1-CD1 4.09Å; V412-L415 WeakPolarHBondContact O-CB 3.4Å; V412-L415 WeakPolarHBondContact O-CG 3.22Å; V412-L415 PolarHBondContact O-N 3.38Å; V412-L415 VanDerWaalsContact O-N 3.16Å; V412-F416 HydrophobicContact CG1-CE2 4.21Å; V412-F416 WeakPolarHBondContact O-CD2 3.39Å; V412-V433 HydrophobicContact CG1-CG1 3.99Å; V412-V433 HydrophobicContact CG1-CG2 3.74Å; V412-Y440 HydrophobicContact CB-CE2 3.99Å; V412-Y440 WeakPolarHBondContact CB-OH 3.44Å; V412-Y440 HydrophobicContact CG1-CE1 3.92Å; V412-Y440 HydrophobicContact CG1-CE2 4.02Å; V412-Y440 WeakPolarHBondContact CG1-OH 3.47Å
413	D	91.2	Very high	92.4	Very high	31 Å²	31	52.5 Å²	52.5	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-31.2	178.6	-57.9	-92.9	0	0	0	112.6	L415 F416 R417 Y440 S443	D413-L415 PolarHBondContact O-N 3.14Å; D413-F416 CarbonylContact O-C 3.55Å; D413-F416 PolarHBondContact O-N 3.25Å; D413-R417 VanDerWaalsContact CB-CZ 3.45Å; D413-R417 WeakPolarHBondContact O-CG 3.46Å; D413-R417 PolarHBondContact O-N 3.48Å; D413-Y440 PolarHBondContact N-OH 3.12Å; D413-Y440 PolarHBondContact OD1-OH 2.89Å; D413-S443 WeakPolarHBondContact OD1-CB 3.44Å; D413-S443 PolarHBondContact OD1-N 3.03Å; D413-S443 PolarHBondContact OD1-OG 2.95Å
414	D	91.4	Very high	92.3	Very high	31 Å²	31	51.6 Å²	51.6	17%	0.166	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-32.5	175.1	-53.2	-35.2	0	0	0	111.4	V377 S411 V412 F416 R417 E418	V377-D414 WeakPolarHBondContact CG1-O 3.49Å; S411-D414 WeakPolarHBondContact CA-OD2 3.24Å; S411-D414 VanDerWaalsContact CB-OD2 3.23Å; S411-D414 WeakPolarHBondContact CB-OD2 3.14Å; S411-D414 PolarHBondContact N-OD2 3.47Å; S411-D414 PolarHBondContact OG-N 3.12Å; S411-D414 PolarHBondContact OG-OD1 3.48Å; S411-D414 PolarHBondContact OG-OD2 3.42Å; V412-D414 VanDerWaalsContact C-N 3.29Å; V412-D414 PolarHBondContact O-N 3.13Å; D414-F416 VanDerWaalsContact C-N 3.29Å; D414-F416 PolarHBondContact O-N 3.46Å; D414-R417 PolarHBondContact O-N 3.5Å; D414-R417 IonicContact OD1-CZ 3.61Å; D414-R417 IonicContact OD1-NE 3.91Å; D414-R417 IonicContact OD1-NH2 2.74Å; D414-R417 PolarHBondContact OD1-NH2 3.48Å; D414-E418 WeakPolarHBondContact O-CB 3.45Å; D414-E418 PolarHBondContact O-N 3.26Å
415	L	92.6	Very high	92.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-42.4	170.9	-55.1	166.6	0	0	0	111.3	V377 L384 M405 V412 D413 C419 F421 L429	V377-L415 VanDerWaalsContact CG1-CA 3.5Å; V377-L415 HydrophobicContact CG1-CB 4.41Å; V377-L415 HydrophobicContact CG1-CD2 3.8Å; V377-L415 HydrophobicContact CG1-CG 4.4Å; V377-L415 WeakPolarHBondContact O-CD2 3.21Å; L384-L415 HydrophobicContact CD1-CD1 3.55Å; M405-L415 HydrophobicContact CE-CD1 4Å; M405-L415 HydrophobicContact CE-CG 4.49Å; M405-L415 HydrophobicContact SD-CD1 3.85Å; M405-L415 HydrophobicContact SD-CD2 3.9Å; M405-L415 HydrophobicContact SD-CG 4.06Å; V412-L415 HydrophobicContact CG1-CD1 4.09Å; V412-L415 WeakPolarHBondContact O-CB 3.4Å; V412-L415 WeakPolarHBondContact O-CG 3.22Å; V412-L415 PolarHBondContact O-N 3.38Å; V412-L415 VanDerWaalsContact O-N 3.16Å; D413-L415 PolarHBondContact O-N 3.14Å; L415-C419 WeakPolarHBondContact O-CB 3.48Å; L415-C419 PolarHBondContact O-N 2.64Å; L415-F421 VanDerWaalsContact O-CZ 3.31Å; L415-F421 WeakPolarHBondContact O-CZ 3.44Å; L415-L429 HydrophobicContact CB-CD1 4.31Å; L415-L429 HydrophobicContact CB-CD2 4.48Å; L415-L429 HydrophobicContact CD1-CD1 4.37Å; L415-L429 HydrophobicContact CD1-CD2 4.08Å
416	F	91.2	Very high	92.3	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-84.8	-16.5	-177.8	-67.2	-79.6	0	0	0	113.9	V412 D413 D414 F421 R426 L429 L430 Y440 P442 L444	V412-F416 HydrophobicContact CG1-CE2 4.21Å; V412-F416 WeakPolarHBondContact O-CD2 3.39Å; D413-F416 CarbonylContact O-C 3.55Å; D413-F416 PolarHBondContact O-N 3.25Å; D414-F416 VanDerWaalsContact C-N 3.29Å; D414-F416 PolarHBondContact O-N 3.46Å; F416-F421 HydrophobicContact CD1-CE2 4.45Å; F416-F421 HydrophobicContact CD1-CZ 4.24Å; F416-R426 HydrophobicContact CD1-CG 4.03Å; F416-R426 HydrophobicContact CE1-CG 3.94Å; F416-L429 HydrophobicContact CE1-CD2 3.96Å; F416-L429 HydrophobicContact CE2-CD2 3.61Å; F416-L429 HydrophobicContact CZ-CD2 3.3Å; F416-L430 HydrophobicContact CE1-CB 4.1Å; F416-L430 HydrophobicContact CZ-CB 3.86Å; F416-L430 HydrophobicContact CZ-CD1 3.86Å; F416-L430 HydrophobicContact CZ-CG 4.44Å; F416-Y440 HydrophobicContact CD2-CE1 4.28Å; F416-Y440 AromaticContact CE2-CE1 3.7Å; F416-Y440 HydrophobicContact CE2-CE1 3.7Å; F416-Y440 HydrophobicContact CZ-CE1 4.47Å; F416-P442 HydrophobicContact CB-CB 3.74Å; F416-P442 HydrophobicContact CB-CG 4.37Å; F416-P442 HydrophobicContact CD1-CB 4.08Å; F416-P442 HydrophobicContact CD1-CG 3.74Å; F416-P442 HydrophobicContact CD2-CB 3.69Å; F416-P442 HydrophobicContact CD2-CG 3.74Å; F416-P442 HydrophobicContact CE1-CG 3.82Å; F416-P442 HydrophobicContact CE2-CB 4.26Å; F416-P442 HydrophobicContact CE2-CG 3.82Å; F416-P442 HydrophobicContact CG-CB 3.56Å; F416-P442 HydrophobicContact CG-CG 3.68Å; F416-P442 HydrophobicContact CZ-CG 3.83Å; F416-L444 HydrophobicContact CB-CD2 4.39Å
417	R	87.6	Confident	92.3	Very high	113 Å²	113	45.8 Å²	45.8	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-91.6	-37.6	176.4	-70.6	-172.3	-71.5	-115.1	5.3	113.5	D413 D414 S443	D413-R417 VanDerWaalsContact CB-CZ 3.45Å; D413-R417 WeakPolarHBondContact O-CG 3.46Å; D413-R417 PolarHBondContact O-N 3.48Å; D414-R417 PolarHBondContact O-N 3.5Å; D414-R417 IonicContact OD1-CZ 3.61Å; D414-R417 IonicContact OD1-NE 3.91Å; D414-R417 IonicContact OD1-NH2 2.74Å; D414-R417 PolarHBondContact OD1-NH2 3.48Å; R417-S443 PolarHBondContact NH1-O 2.95Å; R417-S443 PolarHBondContact NH1-OG 3.25Å
418	E	88.1	Confident	92.3	Very high	130 Å²	130	40.2 Å²	40.2	61%	0.607	22%	0.215	S	C	*	.	H	α-helix	trans	-105	-22.2	-172.7	-60.1	-175.7	-166	0	0	114.8	V377 D414	V377-E418 HydrophobicContact CG1-CB 4.28Å; V377-E418 WeakPolarHBondContact CG2-OE2 3.35Å; D414-E418 WeakPolarHBondContact O-CB 3.45Å; D414-E418 PolarHBondContact O-N 3.26Å
419	C	90.4	Very high	92.5	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.041	20%	0.199	C	C	.	.			trans	-79.7	134.9	-179.3	-73.5	0	0	0	0	113.2	S381 L415 F421	S381-C419 WeakPolarHBondContact CB-SG 3.44Å; L415-C419 WeakPolarHBondContact O-CB 3.48Å; L415-C419 PolarHBondContact O-N 2.64Å; C419-F421 HydrophobicContact CB-CD1 4.47Å; C419-F421 HydrophobicContact CB-CE1 3.92Å; C419-F421 HydrophobicContact CB-CE2 3.98Å; C419-F421 HydrophobicContact CB-CZ 3.66Å; C419-F421 WeakPolarHBondContact O-CD2 3.13Å; C419-F421 WeakPolarHBondContact O-CE2 3.16Å
420	V	89.8	Confident	92.5	Very high	41 Å²	41	36 Å²	36	25%	0.248	18%	0.177	C	C	.	.			trans	-86.6	109.8	165.8	179.4	0	0	0	0	109.4	R350 Q649 A651	R350-V420 PolarHBondContact NH1-O 3.01Å; R350-V420 PolarHBondContact NH2-O 3.49Å; V420-Q649 WeakPolarHBondContact CG1-O 3.36Å; V420-A651 HydrophobicContact CG1-CB 4.12Å
421	F	92.8	Very high	92.5	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.185	C	C	.	.			trans	-90.3	143.9	-179.4	-58.7	-75.8	0	0	0	111.6	L415 F416 C419 E425 R426 L429 P646 T647	L415-F421 VanDerWaalsContact O-CZ 3.31Å; L415-F421 WeakPolarHBondContact O-CZ 3.44Å; F416-F421 HydrophobicContact CD1-CE2 4.45Å; F416-F421 HydrophobicContact CD1-CZ 4.24Å; C419-F421 HydrophobicContact CB-CD1 4.47Å; C419-F421 HydrophobicContact CB-CE1 3.92Å; C419-F421 HydrophobicContact CB-CE2 3.98Å; C419-F421 HydrophobicContact CB-CZ 3.66Å; C419-F421 WeakPolarHBondContact O-CD2 3.13Å; C419-F421 WeakPolarHBondContact O-CE2 3.16Å; F421-E425 WeakPolarHBondContact CA-OE2 3.47Å; F421-E425 HydrophobicContact CB-CB 4.29Å; F421-E425 HydrophobicContact CD1-CB 3.99Å; F421-R426 HydrophobicContact CB-CB 4.02Å; F421-R426 HydrophobicContact CD1-CB 3.83Å; F421-R426 HydrophobicContact CD1-CG 4.44Å; F421-R426 HydrophobicContact CD2-CB 3.95Å; F421-R426 HydrophobicContact CD2-CG 3.99Å; F421-R426 HydrophobicContact CE1-CB 4.26Å; F421-R426 HydrophobicContact CE1-CG 4.45Å; F421-R426 HydrophobicContact CE2-CB 4.37Å; F421-R426 HydrophobicContact CE2-CG 4.01Å; F421-R426 HydrophobicContact CG-CB 3.66Å; F421-R426 HydrophobicContact CG-CG 4.2Å; F421-R426 HydrophobicContact CZ-CB 4.5Å; F421-R426 HydrophobicContact CZ-CG 4.24Å; F421-L429 HydrophobicContact CE1-CD1 4.1Å; F421-P646 WeakPolarHBondContact O-CA 3.32Å; F421-T647 PolarHBondContact N-OG1 3.33Å; F421-T647 PolarHBondContact O-N 3.43Å
422	R	91.9	Very high	92.7	Very high	37 Å²	37	36.2 Å²	36.2	14%	0.14	17%	0.17	C	C	.	.			trans	-128.3	133.8	176	-63	168.7	175.7	165.3	-1.4	109.7	K354 E425 N603 A651	K354-R422 PolarHBondContact NZ-O 2.95Å; R422-E425 PolarHBondContact N-OE2 2.69Å; R422-E425 WeakPolarHBondContact O-CB 3.24Å; R422-E425 WeakPolarHBondContact O-CG 3.07Å; R422-N603 HydrophobicContact CB-CB 4.1Å; R422-N603 WeakPolarHBondContact CB-OD1 3.41Å; R422-N603 WeakPolarHBondContact CD-OD1 3.24Å; R422-N603 HydrophobicContact CG-CB 4.27Å; R422-A651 PolarHBondContact NH2-O 3.04Å
423	Q	92.2	Very high	92.8	Very high	61 Å²	61	35.8 Å²	35.8	29%	0.285	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-140.9	-171.1	-49.8	169.2	-33.9	0	0	110.5	E425 Q602 N603 G645	Q423-E425 VanDerWaalsContact C-N 3.27Å; Q423-E425 PolarHBondContact O-N 3.45Å; Q423-Q602 PolarHBondContact NE2-O 3.33Å; Q423-N603 PolarHBondContact N-O 3.38Å; Q423-G645 CarbonylContact O-C 3.5Å; Q423-G645 VanDerWaalsContact O-C 3.23Å; Q423-G645 WeakPolarHBondContact O-CA 3.28Å
424	D	94.3	Very high	93	Very high	53 Å²	53	37.7 Å²	37.7	28%	0.283	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	16.2	-178.4	69.2	-29.8	0	0	0	115	R389 R426 D427 M428	R389-D424 IonicContact CZ-OD1 3.96Å; R389-D424 IonicContact CZ-OD2 3.33Å; R389-D424 VanDerWaalsContact NH1-CG 3.28Å; R389-D424 IonicContact NH1-OD1 2.89Å; R389-D424 PolarHBondContact NH1-OD1 3.44Å; R389-D424 VanDerWaalsContact NH1-OD1 3.12Å; R389-D424 IonicContact NH1-OD2 2.82Å; R389-D424 PolarHBondContact NH1-OD2 3.17Å; R389-D424 IonicContact NH2-OD1 3.94Å; R389-D424 PolarHBondContact NH2-OD1 3.17Å; R389-D424 IonicContact NH2-OD2 3.11Å; D424-R426 PolarHBondContact O-N 2.75Å; D424-D427 PolarHBondContact O-N 2.72Å; D424-M428 WeakPolarHBondContact O-CG 3.45Å; D424-M428 PolarHBondContact O-N 3.31Å; D424-M428 WeakPolarHBondContact OD2-CG 3.26Å
425	E	94.9	Very high	93.1	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-55.9	-37.3	-179	-78.6	167.8	-166.8	0	0	112.7	R350 K354 F421 R422 Q423 L429	R350-E425 WeakPolarHBondContact CD-OE1 3.26Å; R350-E425 WeakPolarHBondContact CG-OE1 3.19Å; R350-E425 IonicContact CZ-OE1 2.76Å; R350-E425 IonicContact CZ-OE2 2.7Å; R350-E425 VanDerWaalsContact CZ-OE2 3.28Å; R350-E425 IonicContact NE-OE1 3.92Å; R350-E425 IonicContact NE-OE2 3.58Å; R350-E425 IonicContact NH1-OE1 2.68Å; R350-E425 PolarHBondContact NH1-OE1 3.23Å; R350-E425 IonicContact NH1-OE2 3.62Å; R350-E425 PolarHBondContact NH1-OE2 2.96Å; K354-E425 WeakPolarHBondContact CE-OE1 3.49Å; K354-E425 IonicContact NZ-OE1 3.47Å; K354-E425 PolarHBondContact NZ-OE1 3.25Å; F421-E425 WeakPolarHBondContact CA-OE2 3.47Å; F421-E425 HydrophobicContact CB-CB 4.29Å; F421-E425 HydrophobicContact CD1-CB 3.99Å; R422-E425 PolarHBondContact N-OE2 2.69Å; R422-E425 WeakPolarHBondContact O-CB 3.24Å; R422-E425 WeakPolarHBondContact O-CG 3.07Å; Q423-E425 VanDerWaalsContact C-N 3.27Å; Q423-E425 PolarHBondContact O-N 3.45Å; E425-L429 WeakPolarHBondContact O-CB 3.42Å; E425-L429 PolarHBondContact O-N 3.12Å
426	R	93.8	Very high	93.1	Very high	27 Å²	27	41.8 Å²	41.8	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-47.2	179.4	-170.9	-176.3	-177.3	141.8	14.7	111.6	F416 F421 D424 L429 L430 S643 G645	F416-R426 HydrophobicContact CD1-CG 4.03Å; F416-R426 HydrophobicContact CE1-CG 3.94Å; F421-R426 HydrophobicContact CB-CB 4.02Å; F421-R426 HydrophobicContact CD1-CB 3.83Å; F421-R426 HydrophobicContact CD1-CG 4.44Å; F421-R426 HydrophobicContact CD2-CB 3.95Å; F421-R426 HydrophobicContact CD2-CG 3.99Å; F421-R426 HydrophobicContact CE1-CB 4.26Å; F421-R426 HydrophobicContact CE1-CG 4.45Å; F421-R426 HydrophobicContact CE2-CB 4.37Å; F421-R426 HydrophobicContact CE2-CG 4.01Å; F421-R426 HydrophobicContact CG-CB 3.66Å; F421-R426 HydrophobicContact CG-CG 4.2Å; F421-R426 HydrophobicContact CZ-CB 4.5Å; F421-R426 HydrophobicContact CZ-CG 4.24Å; D424-R426 PolarHBondContact O-N 2.75Å; R426-L429 WeakPolarHBondContact O-CB 3.42Å; R426-L429 PolarHBondContact O-N 2.98Å; R426-L430 PolarHBondContact O-N 2.83Å; R426-S643 WeakPolarHBondContact CD-O 3.37Å; R426-S643 VanDerWaalsContact CZ-O 3.32Å; R426-S643 PolarHBondContact NE-O 3.04Å; R426-S643 PolarHBondContact NH1-O 2.82Å; R426-G645 WeakPolarHBondContact CB-O 2.94Å
427	D	94.6	Very high	93.2	Very high	41 Å²	41	46.4 Å²	46.4	22%	0.219	22%	0.219	C	C	.	.	H	α-helix	trans	-72.7	-36.7	-172.3	-43.5	-81.8	0	0	0	110.6	D424 L430 K431 S644 G645	D424-D427 PolarHBondContact O-N 2.72Å; D427-L430 PolarHBondContact O-N 2.83Å; D427-K431 VanDerWaalsContact O-CB 3.29Å; D427-K431 WeakPolarHBondContact O-CB 3.41Å; D427-K431 PolarHBondContact O-N 3.21Å; D427-S644 WeakPolarHBondContact OD1-CA 3.46Å; D427-S644 WeakPolarHBondContact OD1-CB 3.37Å; D427-S644 PolarHBondContact OD1-OG 3.24Å; D427-G645 PolarHBondContact OD1-N 3.07Å; D427-G645 WeakPolarHBondContact OD2-CA 3.35Å; D427-G645 PolarHBondContact OD2-N 3.07Å
428	M	96	Very high	93.4	Very high	39 Å²	39	45.4 Å²	45.4	19%	0.192	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-34.1	171.8	-67	-57.4	112.7	0	0	112.9	E385 G388 R389 D424 K431 A432	E385-M428 HydrophobicContact CG-CB 4.02Å; G388-M428 WeakPolarHBondContact CA-O 3.49Å; R389-M428 HydrophobicContact CG-CB 4.02Å; R389-M428 HydrophobicContact CG-CG 3.69Å; R389-M428 HydrophobicContact CG-SD 3.96Å; D424-M428 WeakPolarHBondContact O-CG 3.45Å; D424-M428 PolarHBondContact O-N 3.31Å; D424-M428 WeakPolarHBondContact OD2-CG 3.26Å; M428-K431 HydrophobicContact SD-CD 4.37Å; M428-A432 PolarHBondContact O-N 3.46Å
429	L	95.6	Very high	93.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.9	-47.7	172.8	-172.8	159.5	0	0	0	111.1	S381 L384 L415 F416 F421 E425 R426 K431 A432 V433	S381-L429 VanDerWaalsContact OG-CD1 3.23Å; S381-L429 WeakPolarHBondContact OG-CD1 3.46Å; L384-L429 HydrophobicContact CB-CG 4.01Å; L415-L429 HydrophobicContact CB-CD1 4.31Å; L415-L429 HydrophobicContact CB-CD2 4.48Å; L415-L429 HydrophobicContact CD1-CD1 4.37Å; L415-L429 HydrophobicContact CD1-CD2 4.08Å; F416-L429 HydrophobicContact CE1-CD2 3.96Å; F416-L429 HydrophobicContact CE2-CD2 3.61Å; F416-L429 HydrophobicContact CZ-CD2 3.3Å; F421-L429 HydrophobicContact CE1-CD1 4.1Å; E425-L429 WeakPolarHBondContact O-CB 3.42Å; E425-L429 PolarHBondContact O-N 3.12Å; R426-L429 WeakPolarHBondContact O-CB 3.42Å; R426-L429 PolarHBondContact O-N 2.98Å; L429-K431 PolarHBondContact O-N 2.83Å; L429-A432 WeakPolarHBondContact O-CA 3.49Å; L429-A432 VanDerWaalsContact O-CB 3.3Å; L429-A432 WeakPolarHBondContact O-CB 3.25Å; L429-A432 PolarHBondContact O-N 3.2Å; L429-V433 HydrophobicContact CD2-CG2 4.07Å; L429-V433 PolarHBondContact O-N 3.44Å; L429-V433 VanDerWaalsContact O-N 3.07Å
430	L	95.1	Very high	93.7	Very high	37 Å²	37	47.7 Å²	47.7	19%	0.194	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-47.6	179.1	-179	58.1	0	0	0	111.5	F416 R426 D427 A432 V433 Q434 Y440 P442	F416-L430 HydrophobicContact CE1-CB 4.1Å; F416-L430 HydrophobicContact CZ-CB 3.86Å; F416-L430 HydrophobicContact CZ-CD1 3.86Å; F416-L430 HydrophobicContact CZ-CG 4.44Å; R426-L430 PolarHBondContact O-N 2.83Å; D427-L430 PolarHBondContact O-N 2.83Å; L430-A432 VanDerWaalsContact C-N 3.26Å; L430-A432 PolarHBondContact O-N 3.24Å; L430-V433 WeakPolarHBondContact O-CB 3.39Å; L430-V433 PolarHBondContact O-N 3.06Å; L430-Q434 HydrophobicContact CD1-CG 4.17Å; L430-Q434 HydrophobicContact CG-CG 4.41Å; L430-Q434 WeakPolarHBondContact O-CG 3.4Å; L430-Q434 PolarHBondContact O-N 2.91Å; L430-Y440 HydrophobicContact CD1-CD1 3.92Å; L430-Y440 HydrophobicContact CD1-CE1 4.24Å; L430-P442 HydrophobicContact CD1-CG 4.1Å
431	K	94.4	Very high	93.6	Very high	88 Å²	88	53.5 Å²	53.5	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-38.1	173.3	-179.1	-172.2	172.9	-152.4	0	113.1	G388 D427 M428 L429 T435	G388-K431 PolarHBondContact O-NZ 3.14Å; D427-K431 VanDerWaalsContact O-CB 3.29Å; D427-K431 WeakPolarHBondContact O-CB 3.41Å; D427-K431 PolarHBondContact O-N 3.21Å; M428-K431 HydrophobicContact SD-CD 4.37Å; L429-K431 PolarHBondContact O-N 2.83Å; K431-T435 PolarHBondContact O-N 3.09Å; K431-T435 VanDerWaalsContact O-N 3.1Å; K431-T435 PolarHBondContact O-OG1 3.05Å
432	A	95.6	Very high	93.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-44.3	175.7	0	0	0	0	0	111.5	L384 M387 I398 M428 L429 L430 T435	L384-A432 HydrophobicContact CB-CB 4.4Å; L384-A432 WeakPolarHBondContact O-CB 3.41Å; M387-A432 HydrophobicContact CB-CB 4.47Å; I398-A432 WeakPolarHBondContact CG2-O 3.36Å; M428-A432 PolarHBondContact O-N 3.46Å; L429-A432 WeakPolarHBondContact O-CA 3.49Å; L429-A432 VanDerWaalsContact O-CB 3.3Å; L429-A432 WeakPolarHBondContact O-CB 3.25Å; L429-A432 PolarHBondContact O-N 3.2Å; L430-A432 VanDerWaalsContact C-N 3.26Å; L430-A432 PolarHBondContact O-N 3.24Å; A432-T435 WeakPolarHBondContact O-CB 3.34Å; A432-T435 PolarHBondContact O-N 2.75Å
433	V	95.1	Very high	92.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-46.4	175.5	178	0	0	0	0	110.9	V412 L429 L430 T435 V436 R437 Y440	V412-V433 HydrophobicContact CG1-CG1 3.99Å; V412-V433 HydrophobicContact CG1-CG2 3.74Å; L429-V433 HydrophobicContact CD2-CG2 4.07Å; L429-V433 PolarHBondContact O-N 3.44Å; L429-V433 VanDerWaalsContact O-N 3.07Å; L430-V433 WeakPolarHBondContact O-CB 3.39Å; L430-V433 PolarHBondContact O-N 3.06Å; V433-T435 PolarHBondContact O-N 3.29Å; V433-V436 PolarHBondContact O-N 3.28Å; V433-R437 PolarHBondContact O-N 3.47Å; V433-Y440 HydrophobicContact CB-CD1 4.37Å; V433-Y440 HydrophobicContact CG1-CD1 3.58Å; V433-Y440 HydrophobicContact CG1-CD2 4.31Å; V433-Y440 HydrophobicContact CG1-CE1 4.12Å; V433-Y440 HydrophobicContact CG1-CG 3.7Å
434	Q	95.2	Very high	91.6	Very high	71 Å²	71	55 Å²	55	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-23.5	-179	-72.5	173.5	-24.1	0	0	113.5	L430 V436 R437 P438 Y440	L430-Q434 HydrophobicContact CD1-CG 4.17Å; L430-Q434 HydrophobicContact CG-CG 4.41Å; L430-Q434 WeakPolarHBondContact O-CG 3.4Å; L430-Q434 PolarHBondContact O-N 2.91Å; Q434-V436 PolarHBondContact O-N 3.3Å; Q434-R437 WeakPolarHBondContact CA-O 3.22Å; Q434-R437 CarbonylContact O-C 3.5Å; Q434-P438 WeakPolarHBondContact O-CA 3.44Å; Q434-Y440 PolarHBondContact NE2-O 3.3Å; Q434-Y440 VanDerWaalsContact NE2-O 3.1Å
435	T	93.8	Very high	89.9	Confident	70 Å²	70	57.1 Å²	57.1	43%	0.429	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	170.4	-56.5	0	0	0	0	113.1	P395 I398 K431 A432 V433	P395-T435 HydrophobicContact CB-CG2 4.46Å; P395-T435 HydrophobicContact CG-CG2 4.05Å; I398-T435 HydrophobicContact CD1-CG2 3.9Å; K431-T435 PolarHBondContact O-N 3.09Å; K431-T435 VanDerWaalsContact O-N 3.1Å; K431-T435 PolarHBondContact O-OG1 3.05Å; A432-T435 WeakPolarHBondContact O-CB 3.34Å; A432-T435 PolarHBondContact O-N 2.75Å; V433-T435 PolarHBondContact O-N 3.29Å
436	V	93.5	Very high	88	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.285	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-24.5	176.3	-178.5	0	0	0	0	112.5	P395 I398 L402 V433 Q434	P395-V436 HydrophobicContact CB-CG2 4.26Å; I398-V436 HydrophobicContact CB-CG2 3.66Å; I398-V436 HydrophobicContact CG2-CG2 3.63Å; L402-V436 HydrophobicContact CD1-CB 4.48Å; L402-V436 HydrophobicContact CD1-CG1 4.47Å; V433-V436 PolarHBondContact O-N 3.28Å; Q434-V436 PolarHBondContact O-N 3.3Å
437	R	93.6	Very high	86	Confident	107 Å²	107	67 Å²	67	40%	0.404	35%	0.353	S	S	.	.			trans	-137.5	82.4	179.1	-60.5	-178.3	-172.1	168.6	3.7	109.5	V433 Q434 D439 Y440	V433-R437 PolarHBondContact O-N 3.47Å; Q434-R437 WeakPolarHBondContact CA-O 3.22Å; Q434-R437 CarbonylContact O-C 3.5Å; R437-D439 VanDerWaalsContact C-N 3.26Å; R437-D439 PolarHBondContact O-N 3.17Å; R437-Y440 VanDerWaalsContact O-CB 3.26Å; R437-Y440 WeakPolarHBondContact O-CB 2.87Å; R437-Y440 PolarHBondContact O-N 3.37Å; R437-Y440 VanDerWaalsContact O-N 3.11Å
438	P	91.4	Very high	83.7	Confident	91 Å²	91	69.7 Å²	69.7	59%	0.591	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-44.1	-171.1	-29.2	37	0	0	0	113.4	Q434 Y440	Q434-P438 WeakPolarHBondContact O-CA 3.44Å; P438-Y440 PolarHBondContact O-N 3.2Å; P438-Y440 VanDerWaalsContact O-N 3.16Å
439	D	92.2	Very high	81.4	Confident	159 Å²	159	73.2 Å²	73.2	85%	0.85	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	18.5	-174.6	-33.3	-83.3	0	0	0	113.4	R437	R437-D439 VanDerWaalsContact C-N 3.26Å; R437-D439 PolarHBondContact O-N 3.17Å
440	Y	92.2	Very high	79.5	Confident	25 Å²	25	76.5 Å²	76.5	10%	0.098	43%	0.425	C	S	.	.			trans	-84.4	120.4	179.4	-179.9	-86.8	0	0	0	111.9	V412 D413 F416 L430 V433 Q434 R437 P438 P442	V412-Y440 HydrophobicContact CB-CE2 3.99Å; V412-Y440 WeakPolarHBondContact CB-OH 3.44Å; V412-Y440 HydrophobicContact CG1-CE1 3.92Å; V412-Y440 HydrophobicContact CG1-CE2 4.02Å; V412-Y440 WeakPolarHBondContact CG1-OH 3.47Å; D413-Y440 PolarHBondContact N-OH 3.12Å; D413-Y440 PolarHBondContact OD1-OH 2.89Å; F416-Y440 HydrophobicContact CD2-CE1 4.28Å; F416-Y440 AromaticContact CE2-CE1 3.7Å; F416-Y440 HydrophobicContact CE2-CE1 3.7Å; F416-Y440 HydrophobicContact CZ-CE1 4.47Å; L430-Y440 HydrophobicContact CD1-CD1 3.92Å; L430-Y440 HydrophobicContact CD1-CE1 4.24Å; V433-Y440 HydrophobicContact CB-CD1 4.37Å; V433-Y440 HydrophobicContact CG1-CD1 3.58Å; V433-Y440 HydrophobicContact CG1-CD2 4.31Å; V433-Y440 HydrophobicContact CG1-CE1 4.12Å; V433-Y440 HydrophobicContact CG1-CG 3.7Å; Q434-Y440 PolarHBondContact NE2-O 3.3Å; Q434-Y440 VanDerWaalsContact NE2-O 3.1Å; R437-Y440 VanDerWaalsContact O-CB 3.26Å; R437-Y440 WeakPolarHBondContact O-CB 2.87Å; R437-Y440 PolarHBondContact O-N 3.37Å; R437-Y440 VanDerWaalsContact O-N 3.11Å; P438-Y440 PolarHBondContact O-N 3.2Å; P438-Y440 VanDerWaalsContact O-N 3.16Å; Y440-P442 HydrophobicContact CE1-CG 4.13Å
441	E	87.8	Confident	77.6	Confident	164 Å²	164	80.2 Å²	80.2	77%	0.766	46%	0.455	S	S	*	.			trans	-117.5	142.1	166.2	-61.6	-164.7	147.5	0	0	110.7
442	P	86.4	Confident	76.2	Confident	31 Å²	31	77.6 Å²	77.6	20%	0.201	45%	0.447	C	S	.	.			trans	-72.4	128.8	-178.7	-18.3	32.2	0	0	0	114.5	F416 L430 Y440 L444	F416-P442 HydrophobicContact CB-CB 3.74Å; F416-P442 HydrophobicContact CB-CG 4.37Å; F416-P442 HydrophobicContact CD1-CB 4.08Å; F416-P442 HydrophobicContact CD1-CG 3.74Å; F416-P442 HydrophobicContact CD2-CB 3.69Å; F416-P442 HydrophobicContact CD2-CG 3.74Å; F416-P442 HydrophobicContact CE1-CG 3.82Å; F416-P442 HydrophobicContact CE2-CB 4.26Å; F416-P442 HydrophobicContact CE2-CG 3.82Å; F416-P442 HydrophobicContact CG-CB 3.56Å; F416-P442 HydrophobicContact CG-CG 3.68Å; F416-P442 HydrophobicContact CZ-CG 3.83Å; L430-P442 HydrophobicContact CD1-CG 4.1Å; Y440-P442 HydrophobicContact CE1-CG 4.13Å; P442-L444 PolarHBondContact O-N 2.99Å
443	S	80.5	Confident	75.4	Confident	50 Å²	50	80.4 Å²	80.4	35%	0.35	47%	0.467	S	S	.	.			trans	-76.9	85.9	176.4	62.4	0	0	0	0	113.2	D413 R417 T445	D413-S443 WeakPolarHBondContact OD1-CB 3.44Å; D413-S443 PolarHBondContact OD1-N 3.03Å; D413-S443 PolarHBondContact OD1-OG 2.95Å; R417-S443 PolarHBondContact NH1-O 2.95Å; R417-S443 PolarHBondContact NH1-OG 3.25Å; S443-T445 PolarHBondContact O-N 2.84Å
444	L	67.8	Low	74.9	Confident	50 Å²	50	85.9 Å²	85.9	26%	0.262	50%	0.503	S	S	.	.			trans	-81	53.4	173.9	-57.3	-178.1	0	0	0	112.7	F416 P442 L446 M640	F416-L444 HydrophobicContact CB-CD2 4.39Å; P442-L444 PolarHBondContact O-N 2.99Å; L444-L446 PolarHBondContact O-N 2.91Å; L444-L446 VanDerWaalsContact O-N 3.15Å; L444-M640 HydrophobicContact CB-CE 4.24Å; L444-M640 WeakPolarHBondContact O-CE 3.39Å
445	T	57.7	Low	74.6	Confident	98 Å²	98	90.3 Å²	90.3	60%	0.601	53%	0.527	S	S	*	.			trans	-66.3	113.8	172.6	40.7	0	0	0	0	110.8	S443 N447	S443-T445 PolarHBondContact O-N 2.84Å; T445-N447 PolarHBondContact O-N 2.94Å
446	L	55.6	Low	74.4	Confident	115 Å²	115	88.9 Å²	88.9	60%	0.602	52%	0.518	S	S	*	.			trans	-57.1	132.7	161.1	-73.4	169.4	0	0	0	109.1	L444 A448 M640	L444-L446 PolarHBondContact O-N 2.91Å; L444-L446 VanDerWaalsContact O-N 3.15Å; L446-A448 PolarHBondContact O-N 3.18Å; L446-M640 HydrophobicContact CD1-CE 4.39Å; L446-M640 HydrophobicContact CD1-SD 3.62Å; L446-M640 HydrophobicContact CD2-SD 3.79Å; L446-M640 HydrophobicContact CG-CE 4.15Å; L446-M640 HydrophobicContact CG-SD 3.46Å; L446-M640 WeakPolarHBondContact CG-SD 3.37Å
447	N	51.2	Low	74	Confident	124 Å²	124	92 Å²	92	66%	0.663	53%	0.528	S	S	*	.			trans	-72.8	72	171.5	-76.8	-38	0	0	0	110.3	T445 S449	T445-N447 PolarHBondContact O-N 2.94Å; N447-S449 PolarHBondContact O-N 2.97Å
448	A	46.4	Very low	73.7	Confident	98 Å²	98	91.7 Å²	91.7	81%	0.81	54%	0.535	S	S	*	.			trans	-60.3	-23.9	176.1	0	0	0	0	0	112.4	L446 Q450	L446-A448 PolarHBondContact O-N 3.18Å; A448-Q450 PolarHBondContact O-N 2.6Å; A448-Q450 VanDerWaalsContact O-N 3.08Å
449	S	48.5	Very low	73.4	Confident	113 Å²	113	92.8 Å²	92.8	79%	0.79	53%	0.53	S	S	*	.			trans	-82.2	49.7	176.7	62.5	0	0	0	0	113.5	N447	N447-S449 PolarHBondContact O-N 2.97Å
450	Q	55.3	Low	73.2	Confident	68 Å²	68	86.9 Å²	86.9	32%	0.318	50%	0.496	S	S	.	.			trans	-98.4	126.9	162.8	-71.4	-165.5	-11.4	0	0	109.9	A448 S452 P776 N777	A448-Q450 PolarHBondContact O-N 2.6Å; A448-Q450 VanDerWaalsContact O-N 3.08Å; Q450-S452 PolarHBondContact O-N 3.38Å; Q450-P776 VanDerWaalsContact CD-O 3.29Å; Q450-P776 PolarHBondContact NE2-O 2.83Å; Q450-P776 PolarHBondContact OE1-O 3.37Å; Q450-P776 VanDerWaalsContact OE1-O 3.12Å; Q450-N777 VanDerWaalsContact OE1-CB 3.27Å
451	S	55.6	Low	72.8	Confident	116 Å²	116	89 Å²	89	81%	0.811	51%	0.512	S	S	*	.			trans	-64.8	98.6	178.2	55.8	0	0	0	0	110.6
452	S	63.8	Low	72.6	Confident	32 Å²	32	85.8 Å²	85.8	22%	0.224	50%	0.5	C	S	.	.			trans	-57.8	137.2	166.2	46.2	0	0	0	0	109.2	Q450	Q450-S452 PolarHBondContact O-N 3.38Å
453	S	79.1	Confident	72.2	Confident	60 Å²	60	86.6 Å²	86.6	42%	0.42	50%	0.499	S	S	.	.			trans	-57.1	139.9	176.7	171.9	0	0	0	0	109.5	L455 V456 K457	S453-L455 PolarHBondContact O-N 2.79Å; S453-V456 WeakPolarHBondContact O-CG2 3.48Å; S453-V456 PolarHBondContact O-N 3.08Å; S453-K457 PolarHBondContact O-N 2.85Å
454	P	85.6	Confident	71.9	Confident	115 Å²	115	90.6 Å²	90.6	75%	0.747	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-23.4	178	-28.8	35.7	0	0	0	114.3	V456	P454-V456 PolarHBondContact O-N 2.94Å
455	L	88.4	Confident	72.3	Confident	163 Å²	163	96.8 Å²	96.8	85%	0.853	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.3	175.5	-59.4	177.9	0	0	0	114.7	S453	S453-L455 PolarHBondContact O-N 2.79Å
456	V	88.8	Confident	73.4	Confident	40 Å²	40	98 Å²	98	24%	0.242	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-0.4	-174.8	-60.5	0	0	0	0	113.6	S453 P454 D458 F459 Y460 P780	S453-V456 WeakPolarHBondContact O-CG2 3.48Å; S453-V456 PolarHBondContact O-N 3.08Å; P454-V456 PolarHBondContact O-N 2.94Å; V456-D458 VanDerWaalsContact C-N 3.31Å; V456-D458 PolarHBondContact O-N 2.99Å; V456-F459 WeakPolarHBondContact O-CB 3.42Å; V456-F459 PolarHBondContact O-N 2.85Å; V456-Y460 HydrophobicContact CB-CD2 4.46Å; V456-Y460 HydrophobicContact CB-CE2 4.24Å; V456-Y460 HydrophobicContact CG2-CD2 4.38Å; V456-Y460 HydrophobicContact CG2-CE2 4.13Å; V456-Y460 WeakPolarHBondContact O-CD2 3.34Å; V456-Y460 PolarHBondContact O-N 3.28Å; V456-P780 HydrophobicContact CG1-CB 4.45Å; V456-P780 HydrophobicContact CG2-CB 4.46Å; V456-P780 HydrophobicContact CG2-CG 3.87Å
457	K	86.6	Confident	74.7	Confident	113 Å²	113	96.8 Å²	96.8	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-53.5	-49.1	-179.2	-178.3	-174.5	175.9	-167.7	0	111.5	S453 F459 Y460 T461	S453-K457 PolarHBondContact O-N 2.85Å; K457-F459 VanDerWaalsContact C-N 3.28Å; K457-F459 PolarHBondContact O-N 2.9Å; K457-Y460 PolarHBondContact O-N 3.29Å; K457-Y460 VanDerWaalsContact O-N 3.12Å; K457-T461 HydrophobicContact CG-CG2 4.37Å; K457-T461 PolarHBondContact O-N 3.41Å; K457-T461 PolarHBondContact O-OG1 3.39Å
458	D	86.9	Confident	76.4	Confident	100 Å²	100	92.5 Å²	92.5	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-63.9	-33.6	-176	-53.5	-10.5	0	0	0	111.8	V456 Y460 T461 N462	V456-D458 VanDerWaalsContact C-N 3.31Å; V456-D458 PolarHBondContact O-N 2.99Å; D458-Y460 VanDerWaalsContact C-N 3.31Å; D458-Y460 PolarHBondContact O-N 3.45Å; D458-T461 WeakPolarHBondContact CA-OG1 3.32Å; D458-T461 PolarHBondContact O-N 2.96Å; D458-N462 WeakPolarHBondContact O-CB 3.31Å; D458-N462 PolarHBondContact O-N 3.47Å
459	F	86.1	Confident	78.4	Confident	114 Å²	114	92 Å²	92	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-64.5	-32.8	175.9	173.7	-97.9	0	0	0	112.9	V456 K457 R463 L630	V456-F459 WeakPolarHBondContact O-CB 3.42Å; V456-F459 PolarHBondContact O-N 2.85Å; K457-F459 VanDerWaalsContact C-N 3.28Å; K457-F459 PolarHBondContact O-N 2.9Å; F459-R463 WeakPolarHBondContact O-CD 3.42Å; F459-R463 WeakPolarHBondContact O-CG 3.31Å; F459-L630 HydrophobicContact CE1-CD1 3.79Å; F459-L630 HydrophobicContact CE1-CD2 4.47Å; F459-L630 HydrophobicContact CZ-CD1 4.21Å; F459-L630 HydrophobicContact CZ-CD2 4.05Å
460	Y	86.4	Confident	80.4	Confident	35 Å²	35	88.6 Å²	88.6	14%	0.137	48%	0.475	C	S	.	.	H	α-helix	trans	-88.9	-25.5	177.2	-70.8	-73.6	0	0	0	113.7	V456 K457 D458 R463 L630 H779 P780 D783	V456-Y460 HydrophobicContact CB-CD2 4.46Å; V456-Y460 HydrophobicContact CB-CE2 4.24Å; V456-Y460 HydrophobicContact CG2-CD2 4.38Å; V456-Y460 HydrophobicContact CG2-CE2 4.13Å; V456-Y460 WeakPolarHBondContact O-CD2 3.34Å; V456-Y460 PolarHBondContact O-N 3.28Å; K457-Y460 PolarHBondContact O-N 3.29Å; K457-Y460 VanDerWaalsContact O-N 3.12Å; D458-Y460 VanDerWaalsContact C-N 3.31Å; D458-Y460 PolarHBondContact O-N 3.45Å; Y460-R463 PolarHBondContact O-NE 2.97Å; Y460-R463 PolarHBondContact O-NH2 3.28Å; Y460-R463 VanDerWaalsContact O-NH2 3.08Å; Y460-L630 HydrophobicContact CD1-CD1 4.11Å; Y460-L630 HydrophobicContact CE1-CD1 3.65Å; Y460-H779 PolarHBondContact OH-O 3.45Å; Y460-P780 HydrophobicContact CE2-CG 4.1Å; Y460-P780 VanDerWaalsContact OH-CA 3.3Å; Y460-P780 WeakPolarHBondContact OH-CA 3.45Å; Y460-D783 VanDerWaalsContact CE1-OD2 3.31Å; Y460-D783 WeakPolarHBondContact CE1-OD2 3.32Å; Y460-D783 PolarHBondContact OH-OD2 2.9Å
461	T	85.1	Confident	82.2	Confident	71 Å²	71	86.1 Å²	86.1	44%	0.436	46%	0.463	S	S	.	.	H	α-helix	trans	-96.5	-40.5	-174.6	47.5	0	0	0	0	113.8	K457 D458 R463	K457-T461 HydrophobicContact CG-CG2 4.37Å; K457-T461 PolarHBondContact O-N 3.41Å; K457-T461 PolarHBondContact O-OG1 3.39Å; D458-T461 WeakPolarHBondContact CA-OG1 3.32Å; D458-T461 PolarHBondContact O-N 2.96Å; T461-R463 PolarHBondContact O-N 3.35Å
462	N	82.9	Confident	84.1	Confident	96 Å²	96	85.3 Å²	85.3	51%	0.513	45%	0.45	S	S	.	.			trans	-99.7	66.1	-169.5	-56.5	-13.5	0	0	0	110.8	D458 H466	D458-N462 WeakPolarHBondContact O-CB 3.31Å; D458-N462 PolarHBondContact O-N 3.47Å; N462-H466 PolarHBondContact O-ND1 3.25Å
463	R	78.1	Confident	85.6	Confident	47 Å²	47	84.6 Å²	84.6	18%	0.177	44%	0.443	C	S	.	.			trans	-112	2.6	-168.2	-74.1	-167.3	-76.7	170.1	-20.8	116.5	F459 Y460 T461 H465 H466 N628 E633	F459-R463 WeakPolarHBondContact O-CD 3.42Å; F459-R463 WeakPolarHBondContact O-CG 3.31Å; Y460-R463 PolarHBondContact O-NE 2.97Å; Y460-R463 PolarHBondContact O-NH2 3.28Å; Y460-R463 VanDerWaalsContact O-NH2 3.08Å; T461-R463 PolarHBondContact O-N 3.35Å; R463-H465 PolarHBondContact O-N 3.03Å; R463-H466 PolarHBondContact O-N 3.1Å; R463-N628 PolarHBondContact NH1-O 3.38Å; R463-E633 IonicContact CZ-OE1 2.69Å; R463-E633 IonicContact CZ-OE2 3.44Å; R463-E633 IonicContact NH1-OE1 3.42Å; R463-E633 PolarHBondContact NH1-OE1 2.64Å; R463-E633 IonicContact NH1-OE2 2.73Å; R463-E633 PolarHBondContact NH1-OE2 2.93Å; R463-E633 IonicContact NH2-OE1 2.85Å; R463-E633 PolarHBondContact NH2-OE1 3.01Å; R463-E633 IonicContact NH2-OE2 3.35Å
464	D	75.1	Confident	86.5	Confident	134 Å²	134	83.7 Å²	83.7	72%	0.717	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.4	-174.4	-49	-55.6	0	0	0	114.2
465	H	75.7	Confident	87	Confident	180 Å²	180	80.6 Å²	80.6	83%	0.833	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	12.4	176.5	-52	-28.7	0	0	0	113.1	R463	R463-H465 PolarHBondContact O-N 3.03Å
466	H	79.9	Confident	87.4	Confident	124 Å²	124	78.5 Å²	78.5	57%	0.574	40%	0.396	S	S	*	.			trans	-116.1	106.7	-173.9	-71.3	113.1	0	0	0	112	N462 R463 N628	N462-H466 PolarHBondContact O-ND1 3.25Å; R463-H466 PolarHBondContact O-N 3.1Å; H466-N628 WeakPolarHBondContact O-CB 3.07Å
467	T	83.6	Confident	87.8	Confident	90 Å²	90	78.9 Å²	78.9	55%	0.552	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-93.8	138.3	177	57.7	0	0	0	0	111.6	V626	T467-V626 HydrophobicContact CG2-CG1 3.52Å
468	Y	85.6	Confident	88.4	Confident	33 Å²	33	73.5 Å²	73.5	13%	0.129	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.6	134.5	172.9	-175.8	-92.8	0	0	0	111	K470 L619 L620 C627 P631 N790	Y468-K470 PolarHBondContact O-N 3.33Å; Y468-L619 HydrophobicContact CD1-CD1 4.19Å; Y468-L619 HydrophobicContact CD1-CG 4.26Å; Y468-L619 HydrophobicContact CG-CD1 4.46Å; Y468-L620 HydrophobicContact CE1-CD2 3.91Å; Y468-C627 PolarHBondContact N-O 3.1Å; Y468-P631 HydrophobicContact CD2-CG 4.19Å; Y468-P631 HydrophobicContact CE1-CG 4.2Å; Y468-P631 VanDerWaalsContact CE2-CD 3.45Å; Y468-P631 HydrophobicContact CE2-CG 3.48Å; Y468-P631 VanDerWaalsContact CE2-CG 3.48Å; Y468-N790 PolarHBondContact OH-ND2 3.21Å
469	P	88.5	Confident	88.9	Confident	89 Å²	89	72.3 Å²	72.3	58%	0.578	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-70.9	122.6	-179.9	28.2	-34.7	0	0	0	111.9
470	K	91.8	Very high	89.5	Confident	41 Å²	41	73 Å²	73	18%	0.178	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-72.8	152.9	171.9	-71.6	164	170.4	-77	0	111	Y468 E618 A621 T624 K625	Y468-K470 PolarHBondContact O-N 3.33Å; K470-E618 PolarHBondContact NZ-O 2.95Å; K470-A621 WeakPolarHBondContact CD-O 3.4Å; K470-A621 VanDerWaalsContact CG-O 3.26Å; K470-A621 WeakPolarHBondContact CG-O 3.35Å; K470-A621 PolarHBondContact NZ-O 3.07Å; K470-T624 VanDerWaalsContact CE-O 3.24Å; K470-T624 WeakPolarHBondContact CE-O 3.44Å; K470-T624 PolarHBondContact NZ-O 3.35Å; K470-T624 PolarHBondContact NZ-OG1 2.92Å; K470-K625 WeakPolarHBondContact CE-O 3.42Å; K470-K625 PolarHBondContact NZ-O 3.12Å
471	L	93.7	Very high	90	Very high	16 Å²	16	74 Å²	74	8%	0.084	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-89.8	153.5	174.1	-50.1	175.9	0	0	0	109.4	F473 L620 P739 W882	L471-F473 HydrophobicContact CB-CD2 3.7Å; L471-F473 HydrophobicContact CB-CE2 4.24Å; L471-F473 PolarHBondContact O-N 2.81Å; L471-L620 HydrophobicContact CD1-CB 4.24Å; L471-L620 HydrophobicContact CD1-CD1 4.4Å; L471-L620 PolarHBondContact N-O 2.97Å; L471-P739 HydrophobicContact CD1-CG 3.75Å; L471-W882 HydrophobicContact CD1-CZ2 4.24Å
472	D	93.8	Very high	90.7	Very high	99 Å²	99	70.8 Å²	70.8	53%	0.529	35%	0.348	S	S	.	.	S	Bend	trans	-74.5	40.5	-178.1	-168.3	32.9	0	0	0	115.2	K622	D472-K622 PolarHBondContact O-NZ 3.28Å; D472-K622 WeakPolarHBondContact OD1-CD 3.45Å; D472-K622 WeakPolarHBondContact OD1-CE 3.35Å; D472-K622 IonicContact OD1-NZ 2.66Å; D472-K622 PolarHBondContact OD1-NZ 2.97Å; D472-K622 IonicContact OD2-NZ 3.38Å
473	F	95.9	Very high	91.4	Very high	17 Å²	17	70.1 Å²	70.1	8%	0.075	34%	0.341	C	S	.	.	S	Bend	trans	-121.3	148.2	-179.4	-60.3	-95.3	0	0	0	111.3	L471 D477 L478 A621 K622 L880 W882	L471-F473 HydrophobicContact CB-CD2 3.7Å; L471-F473 HydrophobicContact CB-CE2 4.24Å; L471-F473 PolarHBondContact O-N 2.81Å; F473-D477 HydrophobicContact CB-CB 4.37Å; F473-D477 HydrophobicContact CD1-CB 4.44Å; F473-L478 HydrophobicContact CB-CD1 4.43Å; F473-L478 HydrophobicContact CB-CD2 3.65Å; F473-L478 HydrophobicContact CB-CG 3.77Å; F473-L478 HydrophobicContact CD1-CD2 4.37Å; F473-L478 HydrophobicContact CD2-CD2 4.19Å; F473-L478 HydrophobicContact CG-CD2 3.82Å; F473-L478 HydrophobicContact CG-CG 4.49Å; F473-A621 WeakPolarHBondContact O-CA 3.44Å; F473-K622 WeakPolarHBondContact O-CG 3.5Å; F473-K622 PolarHBondContact O-N 3.37Å; F473-L880 HydrophobicContact CE1-CB 4.49Å; F473-L880 HydrophobicContact CE1-CD1 3.79Å; F473-L880 HydrophobicContact CZ-CB 4.22Å; F473-L880 HydrophobicContact CZ-CD1 3.72Å; F473-W882 HydrophobicContact CD2-CZ2 4.4Å; F473-W882 HydrophobicContact CE1-CH2 4Å; F473-W882 AromaticContact CE2-CH2 3.85Å; F473-W882 HydrophobicContact CE2-CH2 3.85Å; F473-W882 AromaticContact CE2-CZ2 3.69Å; F473-W882 HydrophobicContact CE2-CZ2 3.69Å; F473-W882 AromaticContact CZ-CH2 3.52Å; F473-W882 HydrophobicContact CZ-CH2 3.52Å; F473-W882 AromaticContact CZ-CZ2 3.84Å; F473-W882 HydrophobicContact CZ-CZ2 3.84Å
474	T	97.2	Very high	92.3	Very high	41 Å²	41	72.4 Å²	72.4	25%	0.252	35%	0.354	S	S	.	.			trans	-71.7	162.4	166.7	66.4	0	0	0	0	110.8	E476 D477 L478 D623	T474-E476 VanDerWaalsContact C-N 3.28Å; T474-E476 PolarHBondContact O-N 3.28Å; T474-D477 PolarHBondContact N-OD2 3.06Å; T474-D477 PolarHBondContact O-N 2.83Å; T474-D477 WeakPolarHBondContact OG1-CB 3.43Å; T474-D477 PolarHBondContact OG1-N 3.02Å; T474-D477 PolarHBondContact OG1-OD2 2.6Å; T474-L478 PolarHBondContact O-N 2.82Å; T474-D623 VanDerWaalsContact CA-OD2 3.27Å; T474-D623 WeakPolarHBondContact CA-OD2 3.25Å; T474-D623 VanDerWaalsContact CB-OD2 3.23Å; T474-D623 WeakPolarHBondContact CB-OD2 3.47Å
475	Q	97.3	Very high	93.4	Very high	49 Å²	49	66.3 Å²	66.3	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-40.8	175.4	-162.2	-176.2	-1.8	0	0	111.1	L478 Q479 T617 A621 D623 T624	Q475-L478 PolarHBondContact O-N 3.05Å; Q475-Q479 WeakPolarHBondContact O-CG 3.34Å; Q475-Q479 PolarHBondContact O-N 3.4Å; Q475-Q479 VanDerWaalsContact O-N 3.07Å; Q475-T617 WeakPolarHBondContact CG-OG1 3.32Å; Q475-T617 PolarHBondContact NE2-OG1 2.85Å; Q475-A621 HydrophobicContact CB-CB 3.99Å; Q475-A621 HydrophobicContact CG-CB 4.47Å; Q475-D623 PolarHBondContact N-OD1 3.04Å; Q475-D623 VanDerWaalsContact N-OD1 3.07Å; Q475-D623 PolarHBondContact N-OD2 3.33Å; Q475-T624 HydrophobicContact CB-CG2 4.2Å; Q475-T624 HydrophobicContact CG-CG2 4.34Å
476	E	97.3	Very high	94.5	Very high	120 Å²	120	58 Å²	58	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-64.5	-42	177.8	-157.6	-149.2	133.3	0	0	112	T474 L478 Q479 R480	T474-E476 VanDerWaalsContact C-N 3.28Å; T474-E476 PolarHBondContact O-N 3.28Å; E476-L478 VanDerWaalsContact C-N 3.31Å; E476-L478 PolarHBondContact O-N 3.31Å; E476-Q479 PolarHBondContact O-N 3.24Å; E476-R480 WeakPolarHBondContact O-CB 3.45Å; E476-R480 PolarHBondContact O-N 3.4Å; E476-R480 IonicContact OE1-CZ 3.25Å; E476-R480 IonicContact OE1-NE 2.97Å; E476-R480 PolarHBondContact OE1-NE 3.08Å; E476-R480 IonicContact OE1-NH2 2.68Å; E476-R480 PolarHBondContact OE1-NH2 2.56Å; E476-R480 IonicContact OE2-NH2 3.68Å
477	D	97.3	Very high	95.3	Very high	47 Å²	47	54.7 Å²	54.7	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-60.1	-41.1	176.5	-71.4	-48.3	0	0	0	112	F473 T474 R480 R481	F473-D477 HydrophobicContact CB-CB 4.37Å; F473-D477 HydrophobicContact CD1-CB 4.44Å; T474-D477 PolarHBondContact N-OD2 3.06Å; T474-D477 PolarHBondContact O-N 2.83Å; T474-D477 WeakPolarHBondContact OG1-CB 3.43Å; T474-D477 PolarHBondContact OG1-N 3.02Å; T474-D477 PolarHBondContact OG1-OD2 2.6Å; D477-R480 IonicContact OD1-CZ 3.85Å; D477-R480 IonicContact OD1-NH1 3.52Å; D477-R480 PolarHBondContact OD1-NH1 3.38Å; D477-R480 IonicContact OD1-NH2 2.67Å; D477-R481 VanDerWaalsContact O-CB 3.25Å; D477-R481 WeakPolarHBondContact O-CB 3.29Å; D477-R481 WeakPolarHBondContact O-CD 3.47Å; D477-R481 WeakPolarHBondContact O-CG 3.26Å; D477-R481 PolarHBondContact O-N 2.89Å
478	L	98	Very high	95.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.9	-39.5	177.1	-67.5	-177	0	0	0	111.9	F473 T474 Q475 E476 R481 F482 T617 L620 A621 P739	F473-L478 HydrophobicContact CB-CD1 4.43Å; F473-L478 HydrophobicContact CB-CD2 3.65Å; F473-L478 HydrophobicContact CB-CG 3.77Å; F473-L478 HydrophobicContact CD1-CD2 4.37Å; F473-L478 HydrophobicContact CD2-CD2 4.19Å; F473-L478 HydrophobicContact CG-CD2 3.82Å; F473-L478 HydrophobicContact CG-CG 4.49Å; T474-L478 PolarHBondContact O-N 2.82Å; Q475-L478 PolarHBondContact O-N 3.05Å; E476-L478 VanDerWaalsContact C-N 3.31Å; E476-L478 PolarHBondContact O-N 3.31Å; L478-R481 PolarHBondContact O-N 3.41Å; L478-F482 PolarHBondContact O-N 3.47Å; L478-T617 HydrophobicContact CB-CG2 3.69Å; L478-L620 HydrophobicContact CD1-CB 3.68Å; L478-A621 HydrophobicContact CD1-CB 4Å; L478-P739 HydrophobicContact CD2-CG 3.96Å
479	Q	97.9	Very high	96.4	Very high	76 Å²	76	50.2 Å²	50.2	36%	0.355	25%	0.25	S	C	.	.	H	α-helix	trans	-67.5	-44.2	175.5	-68.3	177.3	13.3	0	0	111.8	Q475 E476 R481 F482 Q483 T617	Q475-Q479 WeakPolarHBondContact O-CG 3.34Å; Q475-Q479 PolarHBondContact O-N 3.4Å; Q475-Q479 VanDerWaalsContact O-N 3.07Å; E476-Q479 PolarHBondContact O-N 3.24Å; Q479-R481 VanDerWaalsContact C-N 3.28Å; Q479-R481 PolarHBondContact O-N 3.06Å; Q479-F482 WeakPolarHBondContact O-CB 3.44Å; Q479-F482 PolarHBondContact O-N 3.15Å; Q479-Q483 WeakPolarHBondContact O-CG 3.34Å; Q479-Q483 PolarHBondContact O-N 3.21Å; Q479-T617 HydrophobicContact CG-CG2 3.94Å; Q479-T617 PolarHBondContact NE2-OG1 2.57Å
480	R	98.2	Very high	96.7	Very high	129 Å²	129	50 Å²	50	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-39.2	175.7	-153.8	-173.4	-51.9	116.7	-2.6	111.4	E476 D477 H484	E476-R480 WeakPolarHBondContact O-CB 3.45Å; E476-R480 PolarHBondContact O-N 3.4Å; E476-R480 IonicContact OE1-CZ 3.25Å; E476-R480 IonicContact OE1-NE 2.97Å; E476-R480 PolarHBondContact OE1-NE 3.08Å; E476-R480 IonicContact OE1-NH2 2.68Å; E476-R480 PolarHBondContact OE1-NH2 2.56Å; E476-R480 IonicContact OE2-NH2 3.68Å; D477-R480 IonicContact OD1-CZ 3.85Å; D477-R480 IonicContact OD1-NH1 3.52Å; D477-R480 PolarHBondContact OD1-NH1 3.38Å; D477-R480 IonicContact OD1-NH2 2.67Å; R480-H484 PolarHBondContact O-N 2.87Å
481	R	98	Very high	96.8	Very high	55 Å²	55	50.5 Å²	50.5	21%	0.208	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-41	174.1	-78.7	169.7	172.9	-79.2	-1.5	113.4	D477 L478 Q479 H484 Q485 L737 C738 L880	D477-R481 VanDerWaalsContact O-CB 3.25Å; D477-R481 WeakPolarHBondContact O-CB 3.29Å; D477-R481 WeakPolarHBondContact O-CD 3.47Å; D477-R481 WeakPolarHBondContact O-CG 3.26Å; D477-R481 PolarHBondContact O-N 2.89Å; L478-R481 PolarHBondContact O-N 3.41Å; Q479-R481 VanDerWaalsContact C-N 3.28Å; Q479-R481 PolarHBondContact O-N 3.06Å; R481-H484 PolarHBondContact O-N 2.87Å; R481-Q485 PolarHBondContact O-N 3.47Å; R481-L737 WeakPolarHBondContact CB-O 3.39Å; R481-L737 WeakPolarHBondContact CG-O 3.34Å; R481-L737 PolarHBondContact NH1-O 3.41Å; R481-C738 HydrophobicContact CB-CB 3.91Å; R481-L880 PolarHBondContact NH1-O 2.9Å
482	F	98.3	Very high	96.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-47.9	173.9	167.8	-93	0	0	0	111.1	L478 Q479 H484 Q485 L486 Q610 Y613 L752	L478-F482 PolarHBondContact O-N 3.47Å; Q479-F482 WeakPolarHBondContact O-CB 3.44Å; Q479-F482 PolarHBondContact O-N 3.15Å; F482-H484 VanDerWaalsContact C-N 3.33Å; F482-H484 PolarHBondContact O-N 2.92Å; F482-Q485 PolarHBondContact O-N 3.44Å; F482-L486 HydrophobicContact CE1-CD2 3.95Å; F482-L486 HydrophobicContact CZ-CD1 4.36Å; F482-L486 HydrophobicContact CZ-CD2 4.15Å; F482-L486 WeakPolarHBondContact O-CB 3.32Å; F482-L486 PolarHBondContact O-N 2.9Å; F482-Q610 HydrophobicContact CE1-CB 3.84Å; F482-Q610 HydrophobicContact CE1-CG 3.93Å; F482-Q610 HydrophobicContact CZ-CB 4.06Å; F482-Y613 HydrophobicContact CB-CD1 3.77Å; F482-Y613 HydrophobicContact CB-CE1 3.62Å; F482-Y613 HydrophobicContact CD1-CD1 4.49Å; F482-Y613 AromaticContact CD2-CD1 3.36Å; F482-Y613 HydrophobicContact CD2-CD1 3.36Å; F482-Y613 AromaticContact CD2-CD2 3.59Å; F482-Y613 HydrophobicContact CD2-CD2 3.59Å; F482-Y613 AromaticContact CD2-CE1 3.71Å; F482-Y613 HydrophobicContact CD2-CE1 3.71Å; F482-Y613 AromaticContact CD2-CE2 3.9Å; F482-Y613 HydrophobicContact CD2-CE2 3.9Å; F482-Y613 AromaticContact CD2-CG 3.31Å; F482-Y613 HydrophobicContact CD2-CG 3.31Å; F482-Y613 AromaticContact CD2-CZ 3.95Å; F482-Y613 HydrophobicContact CE2-CD1 4.08Å; F482-Y613 AromaticContact CE2-CD2 3.81Å; F482-Y613 HydrophobicContact CE2-CD2 3.81Å; F482-Y613 HydrophobicContact CE2-CE2 4.47Å; F482-Y613 AromaticContact CE2-CG 3.58Å; F482-Y613 HydrophobicContact CE2-CG 3.58Å; F482-Y613 AromaticContact CG-CD1 3.61Å; F482-Y613 HydrophobicContact CG-CD1 3.61Å; F482-Y613 AromaticContact CG-CE1 3.93Å; F482-Y613 HydrophobicContact CG-CE1 3.93Å; F482-Y613 HydrophobicContact CG-CG 4.01Å; F482-Y613 HydrophobicContact CZ-CG 4.47Å; F482-L752 HydrophobicContact CD2-CD1 3.78Å; F482-L752 HydrophobicContact CD2-CD2 4.1Å; F482-L752 HydrophobicContact CE2-CD1 3.67Å; F482-L752 HydrophobicContact CE2-CD2 3.98Å; F482-L752 HydrophobicContact CE2-CG 4.39Å; F482-L752 HydrophobicContact CZ-CD1 4.46Å
483	Q	98.1	Very high	96.7	Very high	81 Å²	81	47.4 Å²	47.4	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-41.2	178.6	-63.9	-62.8	-12	0	0	112.3	Q479 L486 S487	Q479-Q483 WeakPolarHBondContact O-CG 3.34Å; Q479-Q483 PolarHBondContact O-N 3.21Å; Q483-L486 PolarHBondContact O-N 2.85Å; Q483-S487 PolarHBondContact O-N 2.99Å
484	H	97.7	Very high	96.7	Very high	95 Å²	95	47.6 Å²	47.6	44%	0.44	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-49.9	174.9	-169.7	-179.9	0	0	0	111.4	R480 R481 F482 L486 S487 V488	R480-H484 PolarHBondContact O-N 2.87Å; R481-H484 PolarHBondContact O-N 2.87Å; F482-H484 VanDerWaalsContact C-N 3.33Å; F482-H484 PolarHBondContact O-N 2.92Å; H484-L486 VanDerWaalsContact C-N 3.27Å; H484-L486 PolarHBondContact O-N 3.5Å; H484-S487 PolarHBondContact O-N 3.41Å; H484-S487 PolarHBondContact O-OG 3.32Å; H484-V488 WeakPolarHBondContact O-CG2 3.16Å; H484-V488 PolarHBondContact O-N 3.43Å; H484-V488 VanDerWaalsContact O-N 3.12Å
485	Q	98.3	Very high	96.6	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-38.5	175.9	179.2	64.9	28.6	0	0	112.2	R481 F482 V488 E489 M736 C738 L752	R481-Q485 PolarHBondContact O-N 3.47Å; F482-Q485 PolarHBondContact O-N 3.44Å; Q485-V488 PolarHBondContact O-N 3.21Å; Q485-E489 PolarHBondContact NE2-OE1 3.04Å; Q485-E489 PolarHBondContact O-N 3.33Å; Q485-M736 HydrophobicContact CG-CE 3.91Å; Q485-C738 HydrophobicContact CB-CB 4.38Å; Q485-C738 VanDerWaalsContact CB-SG 3.57Å; Q485-L752 HydrophobicContact CB-CD1 3.93Å; Q485-L752 HydrophobicContact CG-CD1 3.58Å; Q485-L752 HydrophobicContact CG-CG 3.86Å
486	L	97.9	Very high	96.5	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-46.4	179.2	-171.7	67.9	0	0	0	111.2	F482 Q483 H484 V488 E489 Q490 V606 L752 L753	F482-L486 HydrophobicContact CE1-CD2 3.95Å; F482-L486 HydrophobicContact CZ-CD1 4.36Å; F482-L486 HydrophobicContact CZ-CD2 4.15Å; F482-L486 WeakPolarHBondContact O-CB 3.32Å; F482-L486 PolarHBondContact O-N 2.9Å; Q483-L486 PolarHBondContact O-N 2.85Å; H484-L486 VanDerWaalsContact C-N 3.27Å; H484-L486 PolarHBondContact O-N 3.5Å; L486-V488 VanDerWaalsContact C-N 3.32Å; L486-V488 PolarHBondContact O-N 3.4Å; L486-E489 PolarHBondContact O-N 3.26Å; L486-Q490 WeakPolarHBondContact O-CB 3.45Å; L486-Q490 VanDerWaalsContact O-CG 3.26Å; L486-Q490 WeakPolarHBondContact O-CG 3.24Å; L486-Q490 PolarHBondContact O-N 3.48Å; L486-V606 HydrophobicContact CD1-CG1 4.2Å; L486-V606 HydrophobicContact CD2-CG1 4.11Å; L486-L752 HydrophobicContact CB-CD1 3.99Å; L486-L752 HydrophobicContact CD1-CB 4.43Å; L486-L752 HydrophobicContact CD1-CD1 4.08Å; L486-L753 HydrophobicContact CD1-CD1 3.77Å; L486-L753 HydrophobicContact CD1-CD2 4Å; L486-L753 HydrophobicContact CD1-CG 3.87Å
487	S	97	Very high	96.4	Very high	56 Å²	56	46.5 Å²	46.5	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-37.7	175.8	71.6	0	0	0	0	112.9	Q483 H484 Q490 A491	Q483-S487 PolarHBondContact O-N 2.99Å; H484-S487 PolarHBondContact O-N 3.41Å; H484-S487 PolarHBondContact O-OG 3.32Å; S487-Q490 PolarHBondContact O-N 2.79Å; S487-A491 PolarHBondContact O-N 3.25Å
488	V	96.1	Very high	96.3	Very high	29 Å²	29	45.4 Å²	45.4	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-40.8	177.1	165.8	0	0	0	0	111.5	H484 Q485 L486 V494 S731	H484-V488 WeakPolarHBondContact O-CG2 3.16Å; H484-V488 PolarHBondContact O-N 3.43Å; H484-V488 VanDerWaalsContact O-N 3.12Å; Q485-V488 PolarHBondContact O-N 3.21Å; L486-V488 VanDerWaalsContact C-N 3.32Å; L486-V488 PolarHBondContact O-N 3.4Å; V488-V494 HydrophobicContact CG1-CG2 3.7Å; V488-S731 WeakPolarHBondContact O-CB 3.49Å
489	E	96.6	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-75.5	-33	175.6	-71.4	-166.8	-131.8	0	0	113	Q485 L486 A491 C492 Y751 L752 L753 T754	Q485-E489 PolarHBondContact NE2-OE1 3.04Å; Q485-E489 PolarHBondContact O-N 3.33Å; L486-E489 PolarHBondContact O-N 3.26Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 2.93Å; E489-C492 PolarHBondContact O-N 3.11Å; E489-C492 VanDerWaalsContact O-N 3.07Å; E489-C492 PolarHBondContact O-SG 2.79Å; E489-Y751 WeakPolarHBondContact OE2-CB 3.3Å; E489-L752 PolarHBondContact OE1-N 3.02Å; E489-L752 PolarHBondContact OE2-N 2.86Å; E489-L753 HydrophobicContact CB-CB 4.19Å; E489-L753 HydrophobicContact CB-CD1 4.37Å; E489-L753 HydrophobicContact CB-CG 4.39Å; E489-L753 PolarHBondContact OE2-N 3.11Å; E489-T754 PolarHBondContact OE2-N 3.34Å; E489-T754 PolarHBondContact OE2-OG1 3.5Å
490	Q	94.9	Very high	95.6	Very high	85 Å²	85	45 Å²	45	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-39	172.7	-76.3	172.4	-16.9	0	0	112.2	L486 S487 C492 L753	L486-Q490 WeakPolarHBondContact O-CB 3.45Å; L486-Q490 VanDerWaalsContact O-CG 3.26Å; L486-Q490 WeakPolarHBondContact O-CG 3.24Å; L486-Q490 PolarHBondContact O-N 3.48Å; S487-Q490 PolarHBondContact O-N 2.79Å; Q490-C492 PolarHBondContact O-N 2.65Å; Q490-L753 HydrophobicContact CG-CD1 3.58Å
491	A	92.6	Very high	94.7	Very high	50 Å²	50	41.2 Å²	41.2	41%	0.413	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-23.5	173.7	0	0	0	0	0	113	S487 E489 T493	S487-A491 PolarHBondContact O-N 3.25Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 2.93Å; A491-T493 PolarHBondContact O-N 2.86Å
492	C	93.3	Very high	93.4	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.061	26%	0.26	C	S	.	.			trans	60.6	-16.8	-172.9	-58	0	0	0	0	116.3	E489 Q490 K594 D730 S731	E489-C492 PolarHBondContact O-N 3.11Å; E489-C492 VanDerWaalsContact O-N 3.07Å; E489-C492 PolarHBondContact O-SG 2.79Å; Q490-C492 PolarHBondContact O-N 2.65Å; C492-K594 HydrophobicContact CB-CG 3.77Å; C492-K594 VanDerWaalsContact SG-CG 3.55Å; C492-D730 CarbonylContact O-C 3.4Å; C492-S731 WeakPolarHBondContact CA-OG 3.4Å; C492-S731 WeakPolarHBondContact O-CB 3.2Å; C492-S731 PolarHBondContact O-N 2.97Å; C492-S731 PolarHBondContact O-OG 2.86Å; C492-S731 VanDerWaalsContact O-OG 3.07Å
493	T	93.3	Very high	92.2	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.252	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149	-179.7	48.1	0	0	0	0	111.7	A491 F729	A491-T493 PolarHBondContact O-N 2.86Å; T493-F729 CarbonylContact C-O 3.57Å; T493-F729 WeakPolarHBondContact CA-O 3.31Å; T493-F729 WeakPolarHBondContact CB-O 3.23Å
494	V	95.2	Very high	91.3	Very high	22 Å²	22	53.4 Å²	53.4	13%	0.133	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.6	177.6	-178.5	0	0	0	0	109.3	V488 I496 T728 F729 M734	V488-V494 HydrophobicContact CG1-CG2 3.7Å; V494-I496 HydrophobicContact CG1-CG2 3.82Å; V494-T728 WeakPolarHBondContact O-CA 3.27Å; V494-F729 PolarHBondContact N-O 3.44Å; V494-F729 PolarHBondContact O-N 3.24Å; V494-M734 HydrophobicContact CB-CE 4.14Å; V494-M734 HydrophobicContact CB-CG 4.49Å; V494-M734 HydrophobicContact CG1-CE 4.12Å; V494-M734 HydrophobicContact CG2-CG 4.47Å
495	T	95.6	Very high	90.5	Very high	79 Å²	79	52.8 Å²	52.8	49%	0.485	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.9	169.3	-55.8	0	0	0	0	109.2	T726 L727 T728	T495-T726 HydrophobicContact CG2-CG2 4.43Å; T495-L727 CarbonylContact C-O 3.59Å; T495-L727 WeakPolarHBondContact CA-O 3.14Å; T495-T728 WeakPolarHBondContact CG2-OG1 3.46Å; T495-T728 WeakPolarHBondContact OG1-CG2 3.42Å; T495-T728 PolarHBondContact OG1-OG1 2.8Å
496	I	95.6	Very high	90	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.8	179.1	71.7	175	0	0	0	110.2	V494 T726 L727 F729 M734 I872 H875	V494-I496 HydrophobicContact CG1-CG2 3.82Å; I496-T726 CarbonylContact O-C 3.59Å; I496-T726 WeakPolarHBondContact O-CA 3.42Å; I496-L727 HydrophobicContact CG1-CB 4.21Å; I496-L727 PolarHBondContact N-O 3.49Å; I496-L727 PolarHBondContact O-N 3.02Å; I496-F729 HydrophobicContact CD1-CD2 4.24Å; I496-F729 HydrophobicContact CD1-CE2 3.71Å; I496-F729 HydrophobicContact CG1-CD2 4.27Å; I496-F729 HydrophobicContact CG1-CE2 3.89Å; I496-M734 HydrophobicContact CD1-CE 4.2Å; I496-M734 HydrophobicContact CG2-CE 3.81Å; I496-I872 HydrophobicContact CD1-CB 4.47Å; I496-I872 HydrophobicContact CD1-CG1 3.79Å; I496-H875 HydrophobicContact CB-CB 4.06Å; I496-H875 HydrophobicContact CD1-CB 4.23Å; I496-H875 HydrophobicContact CG2-CB 3.98Å; I496-H875 VanDerWaalsContact CG2-CG 3.45Å; I496-H875 WeakPolarHBondContact CG2-ND1 3.32Å
497	D	94.9	Very high	89.6	Confident	104 Å²	104	64 Å²	64	56%	0.556	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	147.6	173.1	-54.4	-71.4	0	0	0	112.2
498	S	93.9	Very high	89.3	Confident	25 Å²	25	64.4 Å²	64.4	18%	0.175	36%	0.36	C	S	.	.			trans	-79.9	137.6	173.9	179.4	0	0	0	0	110.5	E500 T725	S498-E500 VanDerWaalsContact C-N 3.26Å; S498-E500 PolarHBondContact O-N 2.83Å; S498-E500 PolarHBondContact OG-N 2.75Å; S498-T725 WeakPolarHBondContact CB-O 3.25Å; S498-T725 PolarHBondContact N-O 3.01Å
499	V	93.6	Very high	89	Confident	13 Å²	13	63.7 Å²	63.7	8%	0.079	36%	0.355	C	S	.	.			trans	-78.1	-7.8	171.8	-67.1	0	0	0	0	114	A501 I804 F807 N808 L867 L870 S871 H874	V499-A501 PolarHBondContact O-N 2.87Å; V499-I804 HydrophobicContact CB-CD1 4.18Å; V499-I804 HydrophobicContact CB-CG1 4.31Å; V499-I804 HydrophobicContact CB-CG2 4.38Å; V499-I804 HydrophobicContact CG1-CD1 3.64Å; V499-I804 HydrophobicContact CG1-CG1 4.25Å; V499-F807 HydrophobicContact CG2-CD1 4.44Å; V499-F807 HydrophobicContact CG2-CE1 4.2Å; V499-N808 PolarHBondContact O-ND2 2.68Å; V499-N808 PolarHBondContact O-OD1 3.06Å; V499-L867 HydrophobicContact CG2-CD1 3.95Å; V499-L870 HydrophobicContact CG2-CB 3.64Å; V499-S871 PolarHBondContact N-OG 2.88Å; V499-H874 HydrophobicContact CG1-CB 3.42Å; V499-H874 VanDerWaalsContact CG1-CB 3.42Å
500	E	88.7	Confident	88.7	Confident	55 Å²	55	66.4 Å²	66.4	26%	0.257	37%	0.371	S	S	.	.	S	Bend	trans	-69.7	122.1	-179.4	-166.2	149	-112	0	0	110.3	S498 M502 F807 N808 R863 L867	S498-E500 VanDerWaalsContact C-N 3.26Å; S498-E500 PolarHBondContact O-N 2.83Å; S498-E500 PolarHBondContact OG-N 2.75Å; E500-M502 PolarHBondContact O-N 3.23Å; E500-F807 HydrophobicContact CB-CE1 4.42Å; E500-N808 WeakPolarHBondContact CA-OD1 3.49Å; E500-R863 IonicContact OE1-CZ 3.44Å; E500-R863 VanDerWaalsContact OE1-CZ 3.24Å; E500-R863 IonicContact OE1-NE 3.28Å; E500-R863 PolarHBondContact OE1-NE 2.79Å; E500-R863 IonicContact OE1-NH2 3.94Å; E500-R863 PolarHBondContact OE1-NH2 3.13Å; E500-L867 HydrophobicContact CB-CD1 3.86Å
501	A	79.4	Confident	88.6	Confident	49 Å²	49	67.7 Å²	67.7	41%	0.405	38%	0.376	S	S	.	.			trans	-53.4	130.1	-163.7	0	0	0	0	0	113.4	V499 K503 N808	V499-A501 PolarHBondContact O-N 2.87Å; A501-K503 PolarHBondContact O-N 3.02Å; A501-N808 HydrophobicContact CB-CB 3.95Å; A501-N808 PolarHBondContact N-OD1 3.08Å
502	M	70.1	Confident	88.7	Confident	158 Å²	158	65.7 Å²	65.7	78%	0.778	36%	0.358	S	S	*	.			trans	-65.4	98.5	175.5	-69.1	-154.2	-64.1	0	0	110.6	E500 T725	E500-M502 PolarHBondContact O-N 3.23Å; M502-T725 HydrophobicContact CG-CG2 4.03Å; M502-T725 HydrophobicContact SD-CG2 4.02Å
503	K	72.8	Confident	88.7	Confident	123 Å²	123	68.7 Å²	68.7	54%	0.535	37%	0.368	S	S	.	.			trans	-58.7	148.4	164.8	-62.6	178.2	-170.6	164.3	0	109.4	A501 V505 M723	A501-K503 PolarHBondContact O-N 3.02Å; K503-V505 PolarHBondContact O-N 2.99Å; K503-M723 HydrophobicContact CD-CE 4Å; K503-M723 HydrophobicContact CD-SD 3.79Å; K503-M723 PolarHBondContact NZ-SD 3.12Å; K503-M723 VanDerWaalsContact NZ-SD 3.39Å
504	P	80	Confident	88.7	Confident	114 Å²	114	72.6 Å²	72.6	74%	0.74	38%	0.383	S	S	*	.			trans	-53.5	130.1	173.3	24	-34.4	0	0	0	109.5	T506	P504-T506 PolarHBondContact O-N 3.32Å
505	V	80.9	Confident	88.7	Confident	82 Å²	82	73 Å²	73	50%	0.497	38%	0.384	S	S	.	.			trans	-70.8	102.3	-171.5	-175.2	0	0	0	0	109.1	K503 M509 V510	K503-V505 PolarHBondContact O-N 2.99Å; V505-M509 HydrophobicContact CG1-CB 4.15Å; V505-M509 HydrophobicContact CG2-CE 4.48Å; V505-V510 HydrophobicContact CG1-CG2 3.64Å
506	T	88	Confident	88.6	Confident	71 Å²	71	69.3 Å²	69.3	44%	0.436	36%	0.362	S	S	.	.			trans	-71.6	155.1	176.4	64.6	0	0	0	0	111.2	P504 N508 M509 V510	P504-T506 PolarHBondContact O-N 3.32Å; T506-N508 PolarHBondContact O-N 2.96Å; T506-N508 VanDerWaalsContact O-N 3.16Å; T506-M509 HydrophobicContact CG2-SD 4.21Å; T506-M509 WeakPolarHBondContact O-CA 3.34Å; T506-M509 WeakPolarHBondContact O-CB 3.44Å; T506-M509 PolarHBondContact O-N 3.43Å; T506-M509 VanDerWaalsContact OG1-CG 3.3Å; T506-M509 WeakPolarHBondContact OG1-CG 3.49Å; T506-M509 PolarHBondContact OG1-N 2.89Å; T506-M509 PolarHBondContact OG1-SD 2.83Å; T506-V510 PolarHBondContact O-N 2.76Å
507	E	89.8	Confident	88.5	Confident	177 Å²	177	71.9 Å²	71.9	83%	0.827	38%	0.384	S	S	*	.	H	α-helix	trans	-52.7	-36.8	173.9	-62.2	177.7	172.4	0	0	112.3	V510 K511	E507-V510 PolarHBondContact O-N 3.23Å; E507-K511 WeakPolarHBondContact O-CB 3.13Å; E507-K511 PolarHBondContact O-N 3.38Å
508	N	90.1	Very high	88.5	Confident	64 Å²	64	72.6 Å²	72.6	34%	0.342	38%	0.383	S	S	.	.	H	α-helix	trans	-68.1	-37.7	175.7	-166.5	65.3	0	0	0	112.5	T506 K511 M512 E721	T506-N508 PolarHBondContact O-N 2.96Å; T506-N508 VanDerWaalsContact O-N 3.16Å; N508-K511 PolarHBondContact O-N 2.77Å; N508-M512 WeakPolarHBondContact O-CB 3.15Å; N508-M512 VanDerWaalsContact O-CG 3.24Å; N508-M512 WeakPolarHBondContact O-CG 3.41Å; N508-M512 PolarHBondContact O-N 3.22Å; N508-M512 WeakPolarHBondContact OD1-CE 3.24Å; N508-E721 PolarHBondContact ND2-OE2 3.39Å
509	M	90.1	Very high	88.6	Confident	13 Å²	13	71.6 Å²	71.6	6%	0.064	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-41.1	172.8	-71.5	159.6	66.9	0	0	111.5	V505 T506 R513 E721 M723	V505-M509 HydrophobicContact CG1-CB 4.15Å; V505-M509 HydrophobicContact CG2-CE 4.48Å; T506-M509 HydrophobicContact CG2-SD 4.21Å; T506-M509 WeakPolarHBondContact O-CA 3.34Å; T506-M509 WeakPolarHBondContact O-CB 3.44Å; T506-M509 PolarHBondContact O-N 3.43Å; T506-M509 VanDerWaalsContact OG1-CG 3.3Å; T506-M509 WeakPolarHBondContact OG1-CG 3.49Å; T506-M509 PolarHBondContact OG1-N 2.89Å; T506-M509 PolarHBondContact OG1-SD 2.83Å; M509-R513 WeakPolarHBondContact O-CB 3.45Å; M509-R513 WeakPolarHBondContact O-CD 3.36Å; M509-R513 WeakPolarHBondContact O-CG 3.42Å; M509-R513 PolarHBondContact O-N 2.89Å; M509-E721 WeakPolarHBondContact CG-O 3.2Å; M509-M723 HydrophobicContact CE-CB 4.39Å
510	V	90.5	Very high	88.7	Confident	58 Å²	58	73.2 Å²	73.2	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-55.9	174	-176.9	0	0	0	0	109.8	V505 T506 E507 M512 R513 E514	V505-V510 HydrophobicContact CG1-CG2 3.64Å; T506-V510 PolarHBondContact O-N 2.76Å; E507-V510 PolarHBondContact O-N 3.23Å; V510-M512 VanDerWaalsContact C-N 3.34Å; V510-M512 PolarHBondContact O-N 2.85Å; V510-R513 WeakPolarHBondContact O-CB 3.32Å; V510-R513 PolarHBondContact O-N 2.89Å; V510-R513 VanDerWaalsContact O-N 3.09Å; V510-E514 HydrophobicContact CG1-CG 4.3Å; V510-E514 WeakPolarHBondContact O-CG 3.5Å; V510-E514 PolarHBondContact O-N 3.46Å
511	K	93	Very high	89	Confident	112 Å²	112	72.3 Å²	72.3	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-54.6	-44.1	179.7	-178.4	-176.7	175.4	-174.2	0	113	E507 N508 E514 L515	E507-K511 WeakPolarHBondContact O-CB 3.13Å; E507-K511 PolarHBondContact O-N 3.38Å; N508-K511 PolarHBondContact O-N 2.77Å; K511-E514 PolarHBondContact O-N 2.95Å; K511-L515 HydrophobicContact CG-CD1 4.02Å; K511-L515 WeakPolarHBondContact O-CB 3.37Å; K511-L515 VanDerWaalsContact O-CG 3.23Å; K511-L515 WeakPolarHBondContact O-CG 3.15Å; K511-L515 PolarHBondContact O-N 3.3Å
512	M	93.9	Very high	89.8	Confident	8 Å²	8	73.7 Å²	73.7	4%	0.039	38%	0.381	C	S	.	.	H	α-helix	trans	-71.6	-33.2	179.7	-65.8	-58.1	167.4	0	0	112.5	N508 V510 L515 L516 L682 M718 E721 A722	N508-M512 WeakPolarHBondContact O-CB 3.15Å; N508-M512 VanDerWaalsContact O-CG 3.24Å; N508-M512 WeakPolarHBondContact O-CG 3.41Å; N508-M512 PolarHBondContact O-N 3.22Å; N508-M512 WeakPolarHBondContact OD1-CE 3.24Å; V510-M512 VanDerWaalsContact C-N 3.34Å; V510-M512 PolarHBondContact O-N 2.85Å; M512-L515 HydrophobicContact SD-CD1 4.12Å; M512-L516 WeakPolarHBondContact O-CB 3.42Å; M512-L516 VanDerWaalsContact O-CG 3.31Å; M512-L516 WeakPolarHBondContact O-CG 3.31Å; M512-L516 PolarHBondContact O-N 3.25Å; M512-L682 HydrophobicContact CE-CD2 3.79Å; M512-L682 HydrophobicContact SD-CD2 3.75Å; M512-M718 HydrophobicContact SD-CG 4.27Å; M512-E721 HydrophobicContact CB-CB 4.41Å; M512-E721 HydrophobicContact CG-CB 3.89Å; M512-A722 HydrophobicContact CB-CB 3.98Å
513	R	93.6	Very high	91.1	Very high	71 Å²	71	66.5 Å²	66.5	27%	0.268	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-43.9	171.4	-71.7	166.7	-179.2	-169.3	-3.6	111.6	M509 V510 L516 A517 A722 M723	M509-R513 WeakPolarHBondContact O-CB 3.45Å; M509-R513 WeakPolarHBondContact O-CD 3.36Å; M509-R513 WeakPolarHBondContact O-CG 3.42Å; M509-R513 PolarHBondContact O-N 2.89Å; V510-R513 WeakPolarHBondContact O-CB 3.32Å; V510-R513 PolarHBondContact O-N 2.89Å; V510-R513 VanDerWaalsContact O-N 3.09Å; R513-L516 PolarHBondContact O-N 2.67Å; R513-A517 WeakPolarHBondContact O-CB 3.24Å; R513-A517 PolarHBondContact O-N 3.3Å; R513-A722 HydrophobicContact CG-CB 3.86Å; R513-A722 PolarHBondContact NE-O 3.39Å; R513-A722 PolarHBondContact NH2-O 2.91Å; R513-M723 PolarHBondContact NH2-O 3.47Å
514	E	93.8	Very high	92.3	Very high	123 Å²	123	63.8 Å²	63.8	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-62.1	-48.3	176	-71.7	174.3	160.2	0	0	111.7	V510 K511 L516 A517 E518	V510-E514 HydrophobicContact CG1-CG 4.3Å; V510-E514 WeakPolarHBondContact O-CG 3.5Å; V510-E514 PolarHBondContact O-N 3.46Å; K511-E514 PolarHBondContact O-N 2.95Å; E514-L516 PolarHBondContact O-N 3.22Å; E514-A517 WeakPolarHBondContact O-CB 3.45Å; E514-A517 PolarHBondContact O-N 3.27Å; E514-A517 VanDerWaalsContact O-N 3.14Å; E514-E518 PolarHBondContact O-N 2.87Å
515	L	94	Very high	93.1	Very high	31 Å²	31	65.9 Å²	65.9	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-40.1	175.8	-70.5	169.1	0	0	0	112	K511 M512 Q519 I681 M718	K511-L515 HydrophobicContact CG-CD1 4.02Å; K511-L515 WeakPolarHBondContact O-CB 3.37Å; K511-L515 VanDerWaalsContact O-CG 3.23Å; K511-L515 WeakPolarHBondContact O-CG 3.15Å; K511-L515 PolarHBondContact O-N 3.3Å; M512-L515 HydrophobicContact SD-CD1 4.12Å; L515-Q519 WeakPolarHBondContact O-CB 3.17Å; L515-Q519 VanDerWaalsContact O-CG 3.24Å; L515-Q519 WeakPolarHBondContact O-CG 3.47Å; L515-Q519 PolarHBondContact O-N 3.5Å; L515-I681 HydrophobicContact CD2-CD1 4.25Å; L515-I681 HydrophobicContact CD2-CG1 4.21Å; L515-M718 HydrophobicContact CB-CE 3.62Å
516	L	93.8	Very high	93.9	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-38.5	173.1	-78.8	175.6	0	0	0	112.3	M512 R513 E514 R520 L715 M718 Q719 A722	M512-L516 WeakPolarHBondContact O-CB 3.42Å; M512-L516 VanDerWaalsContact O-CG 3.31Å; M512-L516 WeakPolarHBondContact O-CG 3.31Å; M512-L516 PolarHBondContact O-N 3.25Å; R513-L516 PolarHBondContact O-N 2.67Å; E514-L516 PolarHBondContact O-N 3.22Å; L516-R520 VanDerWaalsContact O-CB 3.26Å; L516-R520 WeakPolarHBondContact O-CB 3.47Å; L516-R520 WeakPolarHBondContact O-CG 3.46Å; L516-R520 PolarHBondContact O-N 3.44Å; L516-L715 HydrophobicContact CD2-CD1 4.25Å; L516-M718 HydrophobicContact CD1-CB 4.48Å; L516-M718 HydrophobicContact CD2-CB 3.85Å; L516-M718 HydrophobicContact CD2-CE 4.01Å; L516-M718 HydrophobicContact CG-CB 4.09Å; L516-M718 HydrophobicContact CG-CE 4.16Å; L516-Q719 HydrophobicContact CD1-CG 4.46Å; L516-Q719 HydrophobicContact CD2-CG 4.45Å; L516-A722 HydrophobicContact CD1-CB 3.53Å
517	A	94.1	Very high	94.4	Very high	57 Å²	57	61.2 Å²	61.2	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-45	176.7	0	0	0	0	0	111.7	R513 E514 R520 A521	R513-A517 WeakPolarHBondContact O-CB 3.24Å; R513-A517 PolarHBondContact O-N 3.3Å; E514-A517 WeakPolarHBondContact O-CB 3.45Å; E514-A517 PolarHBondContact O-N 3.27Å; E514-A517 VanDerWaalsContact O-N 3.14Å; A517-R520 PolarHBondContact O-N 2.96Å; A517-A521 WeakPolarHBondContact O-CB 3.49Å; A517-A521 PolarHBondContact O-N 3.32Å
518	E	95.1	Very high	94.8	Very high	118 Å²	118	55.1 Å²	55.1	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-60.3	-50.8	174.4	-170	-162.7	-169.7	0	0	111.1	E514 R520 A521 Q522	E514-E518 PolarHBondContact O-N 2.87Å; E518-R520 PolarHBondContact O-N 3.44Å; E518-A521 PolarHBondContact O-N 2.85Å; E518-Q522 WeakPolarHBondContact O-CB 3.38Å; E518-Q522 PolarHBondContact O-N 3.47Å
519	Q	94.8	Very high	95.2	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-40.7	179.9	-70.7	-56.4	-71.2	0	0	111.8	L515 Q522 W523 I677 I681 M718	L515-Q519 WeakPolarHBondContact O-CB 3.17Å; L515-Q519 VanDerWaalsContact O-CG 3.24Å; L515-Q519 WeakPolarHBondContact O-CG 3.47Å; L515-Q519 PolarHBondContact O-N 3.5Å; Q519-Q522 PolarHBondContact O-N 3.18Å; Q519-W523 HydrophobicContact CB-CD2 4.45Å; Q519-W523 HydrophobicContact CB-CH2 4.13Å; Q519-W523 HydrophobicContact CB-CZ2 3.93Å; Q519-W523 HydrophobicContact CB-CZ3 4.47Å; Q519-W523 VanDerWaalsContact O-CB 3.29Å; Q519-W523 WeakPolarHBondContact O-CB 3.34Å; Q519-W523 VanDerWaalsContact O-CD2 3.26Å; Q519-W523 PolarHBondContact O-N 2.98Å; Q519-I677 HydrophobicContact CG-CD1 4.13Å; Q519-I677 HydrophobicContact CG-CG1 4.48Å; Q519-I681 HydrophobicContact CG-CD1 3.94Å; Q519-M718 HydrophobicContact CG-CE 4.43Å
520	R	95.3	Very high	95.5	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.177	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-45.4	172.1	-77.7	170.4	172.7	143.6	-6.7	112.1	L516 A517 E518 Q522 W523 Q524 I567 S571 E724	L516-R520 VanDerWaalsContact O-CB 3.26Å; L516-R520 WeakPolarHBondContact O-CB 3.47Å; L516-R520 WeakPolarHBondContact O-CG 3.46Å; L516-R520 PolarHBondContact O-N 3.44Å; A517-R520 PolarHBondContact O-N 2.96Å; E518-R520 PolarHBondContact O-N 3.44Å; R520-Q522 VanDerWaalsContact C-N 3.33Å; R520-Q522 PolarHBondContact O-N 3.08Å; R520-W523 PolarHBondContact O-N 3.3Å; R520-Q524 WeakPolarHBondContact O-CB 3.28Å; R520-Q524 WeakPolarHBondContact O-CG 3.45Å; R520-Q524 PolarHBondContact O-N 3.01Å; R520-I567 HydrophobicContact CG-CG2 4.12Å; R520-S571 PolarHBondContact NH2-OG 3.25Å; R520-S571 VanDerWaalsContact NH2-OG 3.09Å; R520-E724 IonicContact CZ-OE1 3.05Å; R520-E724 IonicContact CZ-OE2 2.69Å; R520-E724 IonicContact NH1-OE1 2.76Å; R520-E724 PolarHBondContact NH1-OE1 3.41Å; R520-E724 IonicContact NH1-OE2 3.63Å; R520-E724 PolarHBondContact NH1-OE2 3.42Å; R520-E724 IonicContact NH2-OE1 3.58Å; R520-E724 IonicContact NH2-OE2 3.6Å; R520-E724 PolarHBondContact NH2-OE2 3.23Å
521	A	96.3	Very high	95.9	Very high	37 Å²	37	53.6 Å²	53.6	31%	0.306	26%	0.264	S	S	.	.	H	α-helix	trans	-65.6	-35.4	178.3	0	0	0	0	0	112.5	A517 E518 K525	A517-A521 WeakPolarHBondContact O-CB 3.49Å; A517-A521 PolarHBondContact O-N 3.32Å; E518-A521 PolarHBondContact O-N 2.85Å; A521-K525 WeakPolarHBondContact O-CG 3.27Å; A521-K525 PolarHBondContact O-N 2.67Å
522	Q	96	Very high	96.1	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-47.8	171.8	-172.5	178	12.7	0	0	111.1	E518 Q519 R520 Q524 K525 V526	E518-Q522 WeakPolarHBondContact O-CB 3.38Å; E518-Q522 PolarHBondContact O-N 3.47Å; Q519-Q522 PolarHBondContact O-N 3.18Å; R520-Q522 VanDerWaalsContact C-N 3.33Å; R520-Q522 PolarHBondContact O-N 3.08Å; Q522-Q524 PolarHBondContact O-N 2.93Å; Q522-K525 PolarHBondContact O-N 3.37Å; Q522-V526 WeakPolarHBondContact O-CG2 3.3Å; Q522-V526 PolarHBondContact O-N 2.86Å
523	W	97.3	Very high	96.2	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-37.9	178.6	-66	-16	0	0	0	112.7	Q519 R520 K525 V526 L527 I567 V570 L675 K676 I677 I693 L715	Q519-W523 HydrophobicContact CB-CD2 4.45Å; Q519-W523 HydrophobicContact CB-CH2 4.13Å; Q519-W523 HydrophobicContact CB-CZ2 3.93Å; Q519-W523 HydrophobicContact CB-CZ3 4.47Å; Q519-W523 VanDerWaalsContact O-CB 3.29Å; Q519-W523 WeakPolarHBondContact O-CB 3.34Å; Q519-W523 VanDerWaalsContact O-CD2 3.26Å; Q519-W523 PolarHBondContact O-N 2.98Å; R520-W523 PolarHBondContact O-N 3.3Å; W523-K525 PolarHBondContact O-N 2.9Å; W523-V526 PolarHBondContact O-N 3.14Å; W523-L527 VanDerWaalsContact O-CB 3.29Å; W523-L527 WeakPolarHBondContact O-CB 3.21Å; W523-L527 VanDerWaalsContact O-CG 3.27Å; W523-L527 WeakPolarHBondContact O-CG 3.33Å; W523-L527 PolarHBondContact O-N 3.34Å; W523-I567 HydrophobicContact CB-CD1 3.69Å; W523-I567 HydrophobicContact CE3-CD1 4.42Å; W523-V570 HydrophobicContact CZ3-CG1 4.33Å; W523-L675 HydrophobicContact CB-CD2 3.53Å; W523-L675 HydrophobicContact CD2-CD2 3.95Å; W523-L675 HydrophobicContact CE3-CD2 4.47Å; W523-L675 HydrophobicContact CG-CD2 3.51Å; W523-K676 PolarHBondContact NE1-O 3.23Å; W523-I677 HydrophobicContact CZ2-CD1 4.3Å; W523-I693 HydrophobicContact CH2-CG1 4.21Å; W523-I693 HydrophobicContact CZ2-CB 4.41Å; W523-I693 HydrophobicContact CZ2-CG1 4.23Å; W523-I693 HydrophobicContact CZ2-CG2 4.38Å; W523-L715 HydrophobicContact CH2-CD1 4.24Å; W523-L715 HydrophobicContact CZ3-CD1 4.49Å
524	Q	97.7	Very high	96.2	Very high	67 Å²	67	56.7 Å²	56.7	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-47.5	173.4	-79.1	177.5	-42.9	0	0	111.4	R520 Q522 L528 V563 D564 I567	R520-Q524 WeakPolarHBondContact O-CB 3.28Å; R520-Q524 WeakPolarHBondContact O-CG 3.45Å; R520-Q524 PolarHBondContact O-N 3.01Å; Q522-Q524 PolarHBondContact O-N 2.93Å; Q524-L528 WeakPolarHBondContact O-CB 3.09Å; Q524-L528 PolarHBondContact O-N 2.95Å; Q524-V563 HydrophobicContact CB-CG1 3.98Å; Q524-V563 HydrophobicContact CG-CG1 3.84Å; Q524-D564 PolarHBondContact NE2-OD1 3.43Å; Q524-I567 HydrophobicContact CG-CD1 4.32Å; Q524-I567 HydrophobicContact CG-CG1 3.88Å
525	K	97.5	Very high	96.2	Very high	157 Å²	157	51.7 Å²	51.7	68%	0.683	26%	0.255	S	S	*	.	H	α-helix	trans	-61.6	-45.1	176.9	-67.3	167	-175.5	174.4	0	111.9	A521 Q522 W523 Q529	A521-K525 WeakPolarHBondContact O-CG 3.27Å; A521-K525 PolarHBondContact O-N 2.67Å; Q522-K525 PolarHBondContact O-N 3.37Å; W523-K525 PolarHBondContact O-N 2.9Å; K525-Q529 PolarHBondContact O-N 3.18Å; K525-Q529 VanDerWaalsContact O-N 3.12Å
526	V	97.8	Very high	96.2	Very high	55 Å²	55	55.9 Å²	55.9	33%	0.333	28%	0.276	S	S	.	.	H	α-helix	trans	-67.6	-45.3	-179.1	168.8	0	0	0	0	112.1	Q522 W523 Q529 A530 N674	Q522-V526 WeakPolarHBondContact O-CG2 3.3Å; Q522-V526 PolarHBondContact O-N 2.86Å; W523-V526 PolarHBondContact O-N 3.14Å; V526-Q529 PolarHBondContact O-N 3.33Å; V526-A530 WeakPolarHBondContact O-CB 3.4Å; V526-A530 PolarHBondContact O-N 3.24Å; V526-N674 HydrophobicContact CG1-CB 3.93Å
527	L	98.3	Very high	96	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-39.2	176.5	-71.9	179.4	0	0	0	112	W523 A530 L531 V563 M566 I567 I670 N674 L675	W523-L527 VanDerWaalsContact O-CB 3.29Å; W523-L527 WeakPolarHBondContact O-CB 3.21Å; W523-L527 VanDerWaalsContact O-CG 3.27Å; W523-L527 WeakPolarHBondContact O-CG 3.33Å; W523-L527 PolarHBondContact O-N 3.34Å; L527-A530 PolarHBondContact O-N 2.99Å; L527-L531 VanDerWaalsContact O-CB 3.22Å; L527-L531 WeakPolarHBondContact O-CB 3.45Å; L527-L531 PolarHBondContact O-N 3.33Å; L527-V563 HydrophobicContact CB-CG1 4.12Å; L527-V563 HydrophobicContact CB-CG2 3.99Å; L527-V563 HydrophobicContact CD1-CG1 4.37Å; L527-M566 HydrophobicContact CB-CE 4.22Å; L527-M566 HydrophobicContact CD1-CB 3.72Å; L527-M566 HydrophobicContact CD1-CE 4.32Å; L527-M566 HydrophobicContact CD1-CG 4.49Å; L527-M566 HydrophobicContact CD1-SD 4.05Å; L527-M566 HydrophobicContact CD2-CE 4.41Å; L527-M566 HydrophobicContact CD2-SD 3.89Å; L527-M566 HydrophobicContact CG-SD 4.46Å; L527-I567 HydrophobicContact CD1-CD1 3.96Å; L527-I567 HydrophobicContact CD1-CG1 4.2Å; L527-I670 HydrophobicContact CD2-CG2 3.96Å; L527-N674 HydrophobicContact CD2-CB 4.46Å; L527-L675 HydrophobicContact CD1-CD2 3.91Å; L527-L675 HydrophobicContact CD2-CD2 4Å; L527-L675 HydrophobicContact CD2-CG 4.13Å; L527-L675 HydrophobicContact CG-CD2 3.87Å
528	L	98.1	Very high	95.8	Very high	49 Å²	49	59.4 Å²	59.4	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-46.8	176.2	177.5	58.6	0	0	0	111.4	Q524 R532 D559 V563	Q524-L528 WeakPolarHBondContact O-CB 3.09Å; Q524-L528 PolarHBondContact O-N 2.95Å; L528-R532 VanDerWaalsContact O-CG 3.31Å; L528-R532 WeakPolarHBondContact O-CG 3.22Å; L528-R532 PolarHBondContact O-N 3.13Å; L528-R532 VanDerWaalsContact O-N 3.15Å; L528-D559 HydrophobicContact CD1-CB 3.39Å; L528-V563 HydrophobicContact CB-CG2 4.15Å
529	Q	97.9	Very high	95.4	Very high	100 Å²	100	56.2 Å²	56.2	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-49.6	176.4	-178.4	60.2	18.9	0	0	111.5	K525 V526 L531 R532 E533	K525-Q529 PolarHBondContact O-N 3.18Å; K525-Q529 VanDerWaalsContact O-N 3.12Å; V526-Q529 PolarHBondContact O-N 3.33Å; Q529-L531 VanDerWaalsContact C-N 3.3Å; Q529-L531 PolarHBondContact O-N 2.63Å; Q529-R532 PolarHBondContact O-N 3.28Å; Q529-R532 VanDerWaalsContact O-N 3.13Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.48Å; Q529-E533 PolarHBondContact NE2-OE1 2.72Å; Q529-E533 WeakPolarHBondContact O-CG 3.47Å; Q529-E533 PolarHBondContact O-N 2.85Å
530	A	97.8	Very high	94.7	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-37.9	179.6	0	0	0	0	0	112.6	V526 L527 N534 I670 N674	V526-A530 WeakPolarHBondContact O-CB 3.4Å; V526-A530 PolarHBondContact O-N 3.24Å; L527-A530 PolarHBondContact O-N 2.99Å; A530-N534 WeakPolarHBondContact O-CB 3.21Å; A530-N534 PolarHBondContact O-N 2.86Å; A530-N534 PolarHBondContact O-ND2 3.38Å; A530-I670 HydrophobicContact CB-CG2 4.18Å; A530-N674 HydrophobicContact CB-CB 4.36Å
531	L	97.7	Very high	93.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-44.2	174.8	178.7	62.9	0	0	0	111.5	L527 Q529 N534 K535 L554 D559 Y562 I670	L527-L531 VanDerWaalsContact O-CB 3.22Å; L527-L531 WeakPolarHBondContact O-CB 3.45Å; L527-L531 PolarHBondContact O-N 3.33Å; Q529-L531 VanDerWaalsContact C-N 3.3Å; Q529-L531 PolarHBondContact O-N 2.63Å; L531-N534 PolarHBondContact O-N 2.86Å; L531-K535 HydrophobicContact CG-CD 4.37Å; L531-K535 WeakPolarHBondContact O-CB 3.46Å; L531-K535 VanDerWaalsContact O-CG 3.31Å; L531-K535 WeakPolarHBondContact O-CG 3.43Å; L531-K535 PolarHBondContact O-N 3.43Å; L531-L554 HydrophobicContact CD1-CD2 4.33Å; L531-D559 HydrophobicContact CD2-CB 4.33Å; L531-Y562 HydrophobicContact CD2-CD2 3.99Å; L531-Y562 HydrophobicContact CD2-CG 4.09Å; L531-I670 HydrophobicContact CD1-CD1 4.22Å
532	R	97	Very high	91.9	Very high	118 Å²	118	67.6 Å²	67.6	45%	0.445	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-43.1	178	-74.1	170.5	171.9	-179.5	-2.4	112.5	L528 Q529 K535 M536 D559	L528-R532 VanDerWaalsContact O-CG 3.31Å; L528-R532 WeakPolarHBondContact O-CG 3.22Å; L528-R532 PolarHBondContact O-N 3.13Å; L528-R532 VanDerWaalsContact O-N 3.15Å; Q529-R532 PolarHBondContact O-N 3.28Å; Q529-R532 VanDerWaalsContact O-N 3.13Å; R532-K535 WeakPolarHBondContact O-CB 3.3Å; R532-K535 PolarHBondContact O-N 2.62Å; R532-M536 WeakPolarHBondContact O-CG 3.26Å; R532-M536 PolarHBondContact O-N 2.85Å; R532-D559 IonicContact CZ-OD2 3.38Å; R532-D559 VanDerWaalsContact CZ-OD2 3.31Å; R532-D559 IonicContact NE-OD2 3.02Å; R532-D559 PolarHBondContact NE-OD2 3.48Å; R532-D559 IonicContact NH2-OD2 3.87Å; R532-D559 PolarHBondContact NH2-OD2 2.94Å
533	E	95.9	Very high	89.9	Confident	100 Å²	100	65.3 Å²	65.3	47%	0.467	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-45.7	174.3	-71.4	173.8	-172.9	0	0	111.5	Q529 K535 M536 I537	Q529-E533 WeakPolarHBondContact CG-OE1 3.48Å; Q529-E533 PolarHBondContact NE2-OE1 2.72Å; Q529-E533 WeakPolarHBondContact O-CG 3.47Å; Q529-E533 PolarHBondContact O-N 2.85Å; E533-K535 PolarHBondContact O-N 2.84Å; E533-M536 WeakPolarHBondContact O-CB 3.44Å; E533-M536 PolarHBondContact O-N 3.47Å; E533-M536 VanDerWaalsContact O-N 3.15Å; E533-I537 WeakPolarHBondContact O-CG1 3.34Å; E533-I537 PolarHBondContact O-N 2.75Å
534	N	94.6	Very high	87.8	Confident	38 Å²	38	74 Å²	74	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-62.9	-41.4	176.2	-87.3	-80.6	0	0	0	112.5	A530 L531 M536 I537 L538 F666 I670	A530-N534 WeakPolarHBondContact O-CB 3.21Å; A530-N534 PolarHBondContact O-N 2.86Å; A530-N534 PolarHBondContact O-ND2 3.38Å; L531-N534 PolarHBondContact O-N 2.86Å; N534-M536 VanDerWaalsContact C-N 3.33Å; N534-M536 PolarHBondContact O-N 3.45Å; N534-I537 PolarHBondContact O-N 3.42Å; N534-L538 WeakPolarHBondContact O-CB 3.45Å; N534-L538 WeakPolarHBondContact O-CG 3.3Å; N534-L538 PolarHBondContact O-N 2.62Å; N534-F666 HydrophobicContact CB-CE1 4.18Å; N534-F666 HydrophobicContact CB-CZ 3.85Å; N534-F666 WeakPolarHBondContact OD1-CZ 3.48Å; N534-I670 HydrophobicContact CB-CD1 4.22Å
535	K	94.4	Very high	85.6	Confident	18 Å²	18	76 Å²	76	8%	0.078	36%	0.364	C	S	.	.	H	α-helix	trans	-58	-43.8	171	-76.5	175.3	175.7	-159.4	0	111.6	L531 R532 E533 L538 T539 Y551 L554 C555 D559	L531-K535 HydrophobicContact CG-CD 4.37Å; L531-K535 WeakPolarHBondContact O-CB 3.46Å; L531-K535 VanDerWaalsContact O-CG 3.31Å; L531-K535 WeakPolarHBondContact O-CG 3.43Å; L531-K535 PolarHBondContact O-N 3.43Å; R532-K535 WeakPolarHBondContact O-CB 3.3Å; R532-K535 PolarHBondContact O-N 2.62Å; E533-K535 PolarHBondContact O-N 2.84Å; K535-L538 PolarHBondContact O-N 3.05Å; K535-T539 WeakPolarHBondContact O-CB 3.42Å; K535-T539 PolarHBondContact O-N 3.47Å; K535-T539 PolarHBondContact O-OG1 2.94Å; K535-Y551 HydrophobicContact CB-CD2 4.41Å; K535-Y551 HydrophobicContact CB-CE2 4.29Å; K535-Y551 WeakPolarHBondContact O-CD2 3.47Å; K535-L554 WeakPolarHBondContact CE-O 3.38Å; K535-L554 HydrophobicContact CG-CB 4.33Å; K535-L554 PolarHBondContact NZ-O 3.06Å; K535-C555 VanDerWaalsContact CE-SG 3.59Å; K535-C555 PolarHBondContact NZ-SG 2.82Å; K535-D559 IonicContact NZ-OD1 2.94Å; K535-D559 PolarHBondContact NZ-OD1 2.65Å
536	M	92.6	Very high	83.6	Confident	119 Å²	119	74.8 Å²	74.8	59%	0.586	36%	0.356	S	S	*	.	H	α-helix	trans	-65.8	-38.6	178.1	-78.8	-67.2	-144.2	0	0	113.1	R532 E533 N534 T539 K540	R532-M536 WeakPolarHBondContact O-CG 3.26Å; R532-M536 PolarHBondContact O-N 2.85Å; E533-M536 WeakPolarHBondContact O-CB 3.44Å; E533-M536 PolarHBondContact O-N 3.47Å; E533-M536 VanDerWaalsContact O-N 3.15Å; N534-M536 VanDerWaalsContact C-N 3.33Å; N534-M536 PolarHBondContact O-N 3.45Å; M536-T539 PolarHBondContact O-N 3.34Å; M536-K540 WeakPolarHBondContact O-CG 3.37Å; M536-K540 PolarHBondContact O-N 3.2Å
537	I	90.8	Very high	82	Confident	105 Å²	105	77.6 Å²	77.6	54%	0.538	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-48.5	174.2	-67.5	163	0	0	0	110.3	E533 N534 T539 K540 T541	E533-I537 WeakPolarHBondContact O-CG1 3.34Å; E533-I537 PolarHBondContact O-N 2.75Å; N534-I537 PolarHBondContact O-N 3.42Å; I537-T539 VanDerWaalsContact C-N 3.31Å; I537-T539 PolarHBondContact O-N 3.03Å; I537-K540 PolarHBondContact O-N 3.34Å; I537-T541 PolarHBondContact O-N 2.64Å; I537-T541 VanDerWaalsContact O-N 3.16Å; I537-T541 PolarHBondContact O-OG1 2.82Å
538	L	89.5	Confident	81	Confident	27 Å²	27	79.5 Å²	79.5	14%	0.141	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-31.8	178.5	-68.9	173.8	0	0	0	112.4	N534 K535 K540 T541 N549 L550 L554 F666	N534-L538 WeakPolarHBondContact O-CB 3.45Å; N534-L538 WeakPolarHBondContact O-CG 3.3Å; N534-L538 PolarHBondContact O-N 2.62Å; K535-L538 PolarHBondContact O-N 3.05Å; L538-K540 VanDerWaalsContact C-N 3.3Å; L538-K540 PolarHBondContact O-N 3.38Å; L538-T541 WeakPolarHBondContact O-CB 3.45Å; L538-T541 PolarHBondContact O-N 3.43Å; L538-N549 PolarHBondContact O-ND2 3.45Å; L538-L550 HydrophobicContact CD1-CB 4.29Å; L538-L554 HydrophobicContact CD1-CD1 3.44Å; L538-L554 VanDerWaalsContact CD1-CD1 3.44Å; L538-F666 HydrophobicContact CD1-CE1 4.01Å; L538-F666 HydrophobicContact CD1-CE2 4.21Å; L538-F666 HydrophobicContact CD1-CZ 3.6Å; L538-F666 HydrophobicContact CG-CZ 4.43Å
539	T	87.3	Confident	80.5	Confident	52 Å²	52	78 Å²	78	32%	0.319	37%	0.366	S	S	.	.	H	α-helix	trans	-57.9	-43.2	172.5	-61.9	0	0	0	0	111.7	K535 M536 I537 T541 Y551	K535-T539 WeakPolarHBondContact O-CB 3.42Å; K535-T539 PolarHBondContact O-N 3.47Å; K535-T539 PolarHBondContact O-OG1 2.94Å; M536-T539 PolarHBondContact O-N 3.34Å; I537-T539 VanDerWaalsContact C-N 3.31Å; I537-T539 PolarHBondContact O-N 3.03Å; T539-T541 VanDerWaalsContact C-N 3.33Å; T539-Y551 WeakPolarHBondContact OG1-CD2 3.15Å; T539-Y551 WeakPolarHBondContact OG1-CE2 3.38Å
540	K	79.6	Confident	80.2	Confident	172 Å²	172	74.2 Å²	74.2	75%	0.748	35%	0.349	S	S	*	.	H	α-helix	trans	-79.8	-11.8	-178.9	-65.6	172.1	-177	179.7	0	113.4	M536 I537 L538 N542	M536-K540 WeakPolarHBondContact O-CG 3.37Å; M536-K540 PolarHBondContact O-N 3.2Å; I537-K540 PolarHBondContact O-N 3.34Å; L538-K540 VanDerWaalsContact C-N 3.3Å; L538-K540 PolarHBondContact O-N 3.38Å; K540-N542 PolarHBondContact O-N 3.22Å
541	T	74.4	Confident	80	Confident	61 Å²	61	76.1 Å²	76.1	37%	0.374	36%	0.355	S	S	.	.	S	Bend	trans	-72.7	115.5	-178.8	-57.8	0	0	0	0	110.2	I537 L538 T539 N549	I537-T541 PolarHBondContact O-N 2.64Å; I537-T541 VanDerWaalsContact O-N 3.16Å; I537-T541 PolarHBondContact O-OG1 2.82Å; L538-T541 WeakPolarHBondContact O-CB 3.45Å; L538-T541 PolarHBondContact O-N 3.43Å; T539-T541 VanDerWaalsContact C-N 3.33Å; T541-N549 PolarHBondContact O-ND2 2.87Å
542	N	57	Low	79.8	Confident	94 Å²	94	76.1 Å²	76.1	50%	0.503	36%	0.355	S	S	.	.			trans	-69.9	126.3	-160.6	-163.6	-13.8	0	0	0	113.4	K540 R544	K540-N542 PolarHBondContact O-N 3.22Å; N542-R544 PolarHBondContact O-N 2.93Å
543	T	55.6	Low	79.8	Confident	28 Å²	28	70.5 Å²	70.5	17%	0.172	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	27.4	-175.5	61.8	0	0	0	0	114.7	S329	S329-T543 PolarHBondContact OG-O 3.07Å
544	R	51.5	Low	79.8	Confident	191 Å²	191	65.8 Å²	65.8	72%	0.721	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-30.5	172.6	-67.7	178.8	-177.5	-160.3	-0.4	111.7	R336 N542	R336-R544 PolarHBondContact NH1-O 3.25Å; N542-R544 PolarHBondContact O-N 2.93Å
545	D	52.6	Low	79.8	Confident	107 Å²	107	65.6 Å²	65.6	57%	0.572	31%	0.313	S	S	*	.	S	Bend	trans	-61	151.8	177.1	-75.3	-17.8	0	0	0	112	K547	D545-K547 VanDerWaalsContact C-N 3.26Å
546	Y	56	Low	79.8	Confident	132 Å²	132	64.9 Å²	64.9	52%	0.518	31%	0.311	S	S	.	.	S	Bend	trans	-72.5	-20.8	173.3	174.1	-105	0	0	0	112.4	I303 R336	I303-Y546 WeakPolarHBondContact CD1-OH 3.5Å; R336-Y546 HydrophobicContact CG-CD2 4.45Å
547	K	64.4	Low	80	Confident	114 Å²	114	59.6 Å²	59.6	50%	0.496	29%	0.285	S	S	.	.	S	Bend	trans	-76.2	130.8	-177.9	-169.5	-174.3	171.4	-178	0	110.7	D545	D545-K547 VanDerWaalsContact C-N 3.26Å
548	L	76.9	Confident	80.2	Confident	41 Å²	41	60 Å²	60	22%	0.215	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-61.7	137.4	170.4	-64.2	171.5	0	0	0	110.9	S306 Y310 F326	S306-L548 VanDerWaalsContact CB-CD1 3.4Å; S306-L548 WeakPolarHBondContact O-CD1 3.31Å; Y310-L548 HydrophobicContact CD2-CD2 4.05Å; Y310-L548 HydrophobicContact CG-CD2 3.95Å; F326-L548 HydrophobicContact CE1-CD2 4.23Å; F326-L548 HydrophobicContact CE2-CD2 3.92Å; F326-L548 HydrophobicContact CZ-CD2 3.38Å
549	N	86.9	Confident	80.5	Confident	16 Å²	16	60.3 Å²	60.3	9%	0.086	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-92.3	134.2	-179.2	-177.5	-23.6	0	0	0	109.1	Y310 L538 T541 Y551 P552	Y310-N549 HydrophobicContact CE2-CB 4.15Å; Y310-N549 VanDerWaalsContact CE2-O 3.29Å; Y310-N549 WeakPolarHBondContact CE2-O 3.31Å; L538-N549 PolarHBondContact O-ND2 3.45Å; T541-N549 PolarHBondContact O-ND2 2.87Å; N549-Y551 PolarHBondContact O-N 2.99Å; N549-Y551 VanDerWaalsContact OD1-CB 3.32Å; N549-Y551 WeakPolarHBondContact OD1-CB 3.38Å; N549-Y551 PolarHBondContact OD1-N 2.89Å; N549-P552 VanDerWaalsContact O-CD 3.32Å; N549-P552 WeakPolarHBondContact O-CD 3.44Å
550	L	92	Very high	81	Confident	21 Å²	21	64.2 Å²	64.2	11%	0.11	30%	0.299	C	S	.	.	S	Bend	trans	-74.8	-11.9	-178.9	-69.9	177.6	0	0	0	113.9	L538 Y553 L554 L659 L663 F666	L538-L550 HydrophobicContact CD1-CB 4.29Å; L550-Y553 HydrophobicContact CD2-CD2 4.22Å; L550-Y553 PolarHBondContact O-N 3.29Å; L550-Y553 VanDerWaalsContact O-N 3.12Å; L550-L554 HydrophobicContact CB-CD1 4.27Å; L550-L554 PolarHBondContact O-N 3.19Å; L550-L659 HydrophobicContact CD2-CD1 4.21Å; L550-L663 HydrophobicContact CD2-CB 4.43Å; L550-F666 HydrophobicContact CD1-CB 3.77Å; L550-F666 HydrophobicContact CD1-CD2 4.26Å; L550-F666 HydrophobicContact CD1-CG 3.98Å
551	Y	93.4	Very high	81.7	Confident	44 Å²	44	57.4 Å²	57.4	17%	0.173	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-49	-176.2	174.4	-99.1	0	0	0	115.1	M317 R322 K535 T539 N549 Y553 L554 C555	M317-Y551 HydrophobicContact CE-CD1 4.35Å; M317-Y551 HydrophobicContact CE-CE1 4.04Å; R322-Y551 VanDerWaalsContact CZ-CE1 3.47Å; K535-Y551 HydrophobicContact CB-CD2 4.41Å; K535-Y551 HydrophobicContact CB-CE2 4.29Å; K535-Y551 WeakPolarHBondContact O-CD2 3.47Å; T539-Y551 WeakPolarHBondContact OG1-CD2 3.15Å; T539-Y551 WeakPolarHBondContact OG1-CE2 3.38Å; N549-Y551 PolarHBondContact O-N 2.99Å; N549-Y551 VanDerWaalsContact OD1-CB 3.32Å; N549-Y551 WeakPolarHBondContact OD1-CB 3.38Å; N549-Y551 PolarHBondContact OD1-N 2.89Å; Y551-Y553 VanDerWaalsContact C-N 3.34Å; Y551-Y553 PolarHBondContact O-N 3.4Å; Y551-L554 PolarHBondContact O-N 2.92Å; Y551-C555 PolarHBondContact O-N 3.46Å
552	P	94.2	Very high	82.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.4	-43	-178.2	-24.1	37.1	0	0	0	112.5	Y310 A313 C314 M317 N549 L554 C555 L556	Y310-P552 HydrophobicContact CD2-CG 4.11Å; Y310-P552 HydrophobicContact CE2-CG 3.57Å; A313-P552 HydrophobicContact CB-CB 3.7Å; C314-P552 VanDerWaalsContact SG-CG 3.53Å; M317-P552 HydrophobicContact CE-CB 3.78Å; M317-P552 HydrophobicContact CE-CG 4.27Å; M317-P552 HydrophobicContact SD-CB 4.28Å; N549-P552 VanDerWaalsContact O-CD 3.32Å; N549-P552 WeakPolarHBondContact O-CD 3.44Å; P552-L554 PolarHBondContact O-N 3.37Å; P552-C555 PolarHBondContact O-N 3.24Å; P552-L556 WeakPolarHBondContact O-CG 3.17Å
553	Y	95.4	Very high	84.8	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-68.7	-19.8	-179.3	-50	-72.9	0	0	0	113.7	C309 Y310 A313 L550 Y551 C555 L556 Y562 W655 L659	C309-Y553 HydrophobicContact CB-CE1 4.28Å; Y310-Y553 WeakPolarHBondContact CA-OH 3.45Å; Y310-Y553 HydrophobicContact CD2-CE2 4.18Å; Y310-Y553 PolarHBondContact N-OH 3.09Å; A313-Y553 HydrophobicContact CB-CD1 3.85Å; A313-Y553 HydrophobicContact CB-CE1 3.75Å; L550-Y553 HydrophobicContact CD2-CD2 4.22Å; L550-Y553 PolarHBondContact O-N 3.29Å; L550-Y553 VanDerWaalsContact O-N 3.12Å; Y551-Y553 VanDerWaalsContact C-N 3.34Å; Y551-Y553 PolarHBondContact O-N 3.4Å; Y553-C555 VanDerWaalsContact C-N 3.35Å; Y553-L556 HydrophobicContact CD1-CD1 4.27Å; Y553-Y562 PolarHBondContact O-OH 3.04Å; Y553-W655 HydrophobicContact CD1-CH2 4.01Å; Y553-W655 AromaticContact CD1-CZ2 3.85Å; Y553-W655 HydrophobicContact CD1-CZ2 3.85Å; Y553-W655 HydrophobicContact CE1-CZ2 4.43Å; Y553-L659 HydrophobicContact CD1-CD1 4.45Å; Y553-L659 HydrophobicContact CD1-CD2 4.2Å; Y553-L659 HydrophobicContact CD2-CD1 3.8Å; Y553-L659 HydrophobicContact CE1-CD1 4.21Å; Y553-L659 HydrophobicContact CE1-CD2 3.57Å; Y553-L659 HydrophobicContact CE1-CG 4.45Å; Y553-L659 HydrophobicContact CE2-CD1 3.49Å; Y553-L659 VanDerWaalsContact CE2-CD1 3.49Å; Y553-L659 HydrophobicContact CE2-CD2 4.28Å; Y553-L659 HydrophobicContact CG-CD1 4.25Å
554	L	95.8	Very high	86.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-84.6	-7.8	173	-66.2	166.1	0	0	0	112.7	L531 K535 L538 L550 Y551 P552 Y562 L663 F666 I667	L531-L554 HydrophobicContact CD1-CD2 4.33Å; K535-L554 WeakPolarHBondContact CE-O 3.38Å; K535-L554 HydrophobicContact CG-CB 4.33Å; K535-L554 PolarHBondContact NZ-O 3.06Å; L538-L554 HydrophobicContact CD1-CD1 3.44Å; L538-L554 VanDerWaalsContact CD1-CD1 3.44Å; L550-L554 HydrophobicContact CB-CD1 4.27Å; L550-L554 PolarHBondContact O-N 3.19Å; Y551-L554 PolarHBondContact O-N 2.92Å; P552-L554 PolarHBondContact O-N 3.37Å; L554-Y562 VanDerWaalsContact C-CZ 3.48Å; L554-Y562 WeakPolarHBondContact CA-OH 3.18Å; L554-Y562 WeakPolarHBondContact O-CE2 3.41Å; L554-Y562 PolarHBondContact O-OH 2.85Å; L554-L663 HydrophobicContact CD2-CD1 3.7Å; L554-L663 HydrophobicContact CG-CD1 4.07Å; L554-F666 HydrophobicContact CD1-CD1 3.96Å; L554-F666 HydrophobicContact CD1-CE1 3.52Å; L554-F666 HydrophobicContact CD1-CZ 4.35Å; L554-F666 HydrophobicContact CD2-CD1 4.07Å; L554-F666 HydrophobicContact CD2-CE1 4.25Å; L554-I667 HydrophobicContact CD2-CD1 3.88Å
555	C	94.9	Very high	88.8	Confident	34 Å²	34	42.5 Å²	42.5	23%	0.23	20%	0.201	C	C	.	.	S	Bend	trans	-121.5	21.2	-176.6	-74.4	0	0	0	0	113	M317 K535 Y551 P552 Y553 Y562	M317-C555 HydrophobicContact CG-CB 4.37Å; M317-C555 HydrophobicContact SD-CB 3.28Å; M317-C555 WeakPolarHBondContact SD-CB 3.35Å; K535-C555 VanDerWaalsContact CE-SG 3.59Å; K535-C555 PolarHBondContact NZ-SG 2.82Å; Y551-C555 PolarHBondContact O-N 3.46Å; P552-C555 PolarHBondContact O-N 3.24Å; Y553-C555 VanDerWaalsContact C-N 3.35Å; C555-Y562 PolarHBondContact N-OH 3.39Å
556	L	95.3	Very high	91	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	-83.9	-31.8	173.3	-56.5	176.1	0	0	0	113.3	A313 F316 M317 P552 Y553 Y562 Y595 W655	A313-L556 HydrophobicContact CB-CD2 4.04Å; F316-L556 HydrophobicContact CB-CD2 4.31Å; F316-L556 HydrophobicContact CD1-CB 4.47Å; F316-L556 HydrophobicContact CD1-CD2 3.52Å; F316-L556 HydrophobicContact CE1-CB 4.3Å; F316-L556 HydrophobicContact CE1-CD2 4.19Å; F316-L556 WeakPolarHBondContact CE1-O 3.29Å; F316-L556 HydrophobicContact CG-CD2 4.2Å; M317-L556 HydrophobicContact CG-CD2 4.21Å; P552-L556 WeakPolarHBondContact O-CG 3.17Å; Y553-L556 HydrophobicContact CD1-CD1 4.27Å; L556-Y562 PolarHBondContact N-OH 2.91Å; L556-Y595 HydrophobicContact CB-CD2 3.89Å; L556-Y595 HydrophobicContact CD1-CD1 4.45Å; L556-Y595 HydrophobicContact CD1-CD2 3.67Å; L556-Y595 HydrophobicContact CD1-CE2 3.95Å; L556-Y595 HydrophobicContact CD1-CG 3.9Å; L556-Y595 HydrophobicContact CD2-CD2 4.11Å; L556-Y595 HydrophobicContact CD2-CE2 3.91Å; L556-Y595 HydrophobicContact CG-CD2 4.09Å; L556-Y595 HydrophobicContact CG-CE2 4.34Å; L556-W655 HydrophobicContact CD1-CH2 3.62Å; L556-W655 HydrophobicContact CD1-CZ2 3.45Å; L556-W655 VanDerWaalsContact CD1-CZ2 3.45Å
557	L	95.8	Very high	92.8	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	15%	0.152	C	C	.	.	S	Bend	trans	-106.6	170.3	173.5	-46.3	-176.2	0	0	0	110.4	E561 Y562 I565 I591 K594	L557-E561 HydrophobicContact CB-CB 4.18Å; L557-E561 WeakPolarHBondContact CB-OE2 3.45Å; L557-E561 HydrophobicContact CD1-CB 4.42Å; L557-Y562 HydrophobicContact CB-CD2 4.22Å; L557-Y562 HydrophobicContact CB-CE1 4.46Å; L557-Y562 HydrophobicContact CB-CE2 3.58Å; L557-Y562 HydrophobicContact CD1-CE1 4.29Å; L557-Y562 HydrophobicContact CG-CE1 4.4Å; L557-Y562 HydrophobicContact CG-CE2 4.35Å; L557-Y562 PolarHBondContact N-OH 3.42Å; L557-Y562 VanDerWaalsContact N-OH 3.12Å; L557-Y562 WeakPolarHBondContact O-CE2 3.48Å; L557-I565 HydrophobicContact CD1-CD1 4.2Å; L557-I591 HydrophobicContact CD1-CB 4.39Å; L557-I591 HydrophobicContact CD1-CG1 4.41Å; L557-I591 HydrophobicContact CD1-CG2 4.03Å; L557-I591 HydrophobicContact CG-CG2 4.42Å; L557-K594 HydrophobicContact CD1-CB 3.84Å; L557-K594 HydrophobicContact CD1-CD 4.03Å; L557-K594 HydrophobicContact CD2-CB 3.64Å; L557-K594 HydrophobicContact CG-CB 4.41Å
558	E	95.4	Very high	94.2	Very high	112 Å²	112	27.7 Å²	27.7	52%	0.523	14%	0.135	S	C	.	.			trans	-72.1	149.9	169.9	-78.2	150.4	-121.3	0	0	111.6	K560 E561 Y562 R598	E558-K560 PolarHBondContact O-N 3.1Å; E558-K560 VanDerWaalsContact O-N 3.11Å; E558-E561 HydrophobicContact CB-CG 4.42Å; E558-E561 PolarHBondContact N-OE2 2.93Å; E558-E561 PolarHBondContact O-N 3.16Å; E558-Y562 VanDerWaalsContact O-CD2 3.25Å; E558-Y562 WeakPolarHBondContact O-CD2 3.19Å; E558-R598 IonicContact OE1-CZ 2.83Å; E558-R598 IonicContact OE1-NH1 2.69Å; E558-R598 PolarHBondContact OE1-NH1 2.77Å; E558-R598 VanDerWaalsContact OE1-NH1 3.11Å; E558-R598 IonicContact OE1-NH2 3.51Å; E558-R598 PolarHBondContact OE1-NH2 3.45Å
559	D	96.9	Very high	95.1	Very high	34 Å²	34	26.5 Å²	26.5	18%	0.182	13%	0.13	C	C	.	.	H	α-helix	trans	-50.8	-40.9	179.7	-67.1	-24.6	0	0	0	112.2	L528 L531 R532 K535 E561 Y562 V563	L528-D559 HydrophobicContact CD1-CB 3.39Å; L531-D559 HydrophobicContact CD2-CB 4.33Å; R532-D559 IonicContact CZ-OD2 3.38Å; R532-D559 VanDerWaalsContact CZ-OD2 3.31Å; R532-D559 IonicContact NE-OD2 3.02Å; R532-D559 PolarHBondContact NE-OD2 3.48Å; R532-D559 IonicContact NH2-OD2 3.87Å; R532-D559 PolarHBondContact NH2-OD2 2.94Å; K535-D559 IonicContact NZ-OD1 2.94Å; K535-D559 PolarHBondContact NZ-OD1 2.65Å; D559-E561 VanDerWaalsContact C-N 3.34Å; D559-E561 PolarHBondContact O-N 2.66Å; D559-Y562 PolarHBondContact O-N 3.01Å; D559-V563 WeakPolarHBondContact O-CG2 3.33Å; D559-V563 PolarHBondContact O-N 3.37Å
560	K	96.3	Very high	95.4	Very high	135 Å²	135	26 Å²	26	59%	0.587	13%	0.127	S	C	*	.	H	α-helix	trans	-61.8	-39.6	-179.6	-163.9	-158.7	170.5	-160.8	0	111.8	E558 Y562 V563 D564	E558-K560 PolarHBondContact O-N 3.1Å; E558-K560 VanDerWaalsContact O-N 3.11Å; K560-Y562 PolarHBondContact O-N 3.06Å; K560-V563 CarbonylContact O-C 3.5Å; K560-V563 WeakPolarHBondContact O-CA 3.45Å; K560-V563 WeakPolarHBondContact O-CB 3.46Å; K560-V563 PolarHBondContact O-N 2.95Å; K560-V563 VanDerWaalsContact O-N 3.07Å; K560-D564 WeakPolarHBondContact CE-OD2 3.38Å; K560-D564 IonicContact NZ-OD2 2.65Å; K560-D564 PolarHBondContact O-N 3.02Å
561	E	96	Very high	95.3	Very high	28 Å²	28	26.6 Å²	26.6	13%	0.131	13%	0.134	C	C	.	.	H	α-helix	trans	-66.5	-37.7	-178.8	-66.3	-173.7	98.8	0	0	112.6	L557 E558 D559 V563 D564 I565 K594 R598	L557-E561 HydrophobicContact CB-CB 4.18Å; L557-E561 WeakPolarHBondContact CB-OE2 3.45Å; L557-E561 HydrophobicContact CD1-CB 4.42Å; E558-E561 HydrophobicContact CB-CG 4.42Å; E558-E561 PolarHBondContact N-OE2 2.93Å; E558-E561 PolarHBondContact O-N 3.16Å; D559-E561 VanDerWaalsContact C-N 3.34Å; D559-E561 PolarHBondContact O-N 2.66Å; E561-V563 VanDerWaalsContact C-N 3.27Å; E561-V563 PolarHBondContact O-N 2.82Å; E561-D564 PolarHBondContact O-N 2.84Å; E561-I565 WeakPolarHBondContact O-CB 3.39Å; E561-I565 WeakPolarHBondContact O-CD1 3.36Å; E561-I565 WeakPolarHBondContact O-CG1 3.34Å; E561-I565 PolarHBondContact O-N 3Å; E561-K594 WeakPolarHBondContact OE1-CD 3.37Å; E561-K594 WeakPolarHBondContact OE1-CE 3.44Å; E561-K594 IonicContact OE1-NZ 2.72Å; E561-K594 PolarHBondContact OE1-NZ 2.91Å; E561-R598 IonicContact OE1-NH2 3.93Å; E561-R598 IonicContact OE2-CZ 3.12Å; E561-R598 IonicContact OE2-NE 3.61Å; E561-R598 PolarHBondContact OE2-NE 3.1Å; E561-R598 IonicContact OE2-NH2 3.44Å; E561-R598 PolarHBondContact OE2-NH2 3.25Å
562	Y	97.8	Very high	95	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-36.7	172	-63.1	-83	0	0	0	111.5	L531 Y553 L554 C555 L556 L557 E558 D559 K560 M566 I591 I667	L531-Y562 HydrophobicContact CD2-CD2 3.99Å; L531-Y562 HydrophobicContact CD2-CG 4.09Å; Y553-Y562 PolarHBondContact O-OH 3.04Å; L554-Y562 VanDerWaalsContact C-CZ 3.48Å; L554-Y562 WeakPolarHBondContact CA-OH 3.18Å; L554-Y562 WeakPolarHBondContact O-CE2 3.41Å; L554-Y562 PolarHBondContact O-OH 2.85Å; C555-Y562 PolarHBondContact N-OH 3.39Å; L556-Y562 PolarHBondContact N-OH 2.91Å; L557-Y562 HydrophobicContact CB-CD2 4.22Å; L557-Y562 HydrophobicContact CB-CE1 4.46Å; L557-Y562 HydrophobicContact CB-CE2 3.58Å; L557-Y562 HydrophobicContact CD1-CE1 4.29Å; L557-Y562 HydrophobicContact CG-CE1 4.4Å; L557-Y562 HydrophobicContact CG-CE2 4.35Å; L557-Y562 PolarHBondContact N-OH 3.42Å; L557-Y562 VanDerWaalsContact N-OH 3.12Å; L557-Y562 WeakPolarHBondContact O-CE2 3.48Å; E558-Y562 VanDerWaalsContact O-CD2 3.25Å; E558-Y562 WeakPolarHBondContact O-CD2 3.19Å; D559-Y562 PolarHBondContact O-N 3.01Å; K560-Y562 PolarHBondContact O-N 3.06Å; Y562-M566 WeakPolarHBondContact O-CE 3.44Å; Y562-M566 VanDerWaalsContact O-CG 3.31Å; Y562-M566 WeakPolarHBondContact O-CG 3.43Å; Y562-M566 PolarHBondContact O-N 3.36Å; Y562-I591 HydrophobicContact CD1-CD1 3.77Å; Y562-I591 HydrophobicContact CD1-CG1 3.98Å; Y562-I591 HydrophobicContact CE1-CD1 3.86Å; Y562-I591 HydrophobicContact CE1-CG1 3.97Å; Y562-I591 HydrophobicContact CE1-CG2 3.78Å; Y562-I667 HydrophobicContact CD1-CD1 4.36Å
563	V	97.8	Very high	94.8	Very high	4 Å²	4	29 Å²	29	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-44.9	176.9	173.9	0	0	0	0	111.4	Q524 L527 L528 D559 K560 E561 I565 M566 I567	Q524-V563 HydrophobicContact CB-CG1 3.98Å; Q524-V563 HydrophobicContact CG-CG1 3.84Å; L527-V563 HydrophobicContact CB-CG1 4.12Å; L527-V563 HydrophobicContact CB-CG2 3.99Å; L527-V563 HydrophobicContact CD1-CG1 4.37Å; L528-V563 HydrophobicContact CB-CG2 4.15Å; D559-V563 WeakPolarHBondContact O-CG2 3.33Å; D559-V563 PolarHBondContact O-N 3.37Å; K560-V563 CarbonylContact O-C 3.5Å; K560-V563 WeakPolarHBondContact O-CA 3.45Å; K560-V563 WeakPolarHBondContact O-CB 3.46Å; K560-V563 PolarHBondContact O-N 2.95Å; K560-V563 VanDerWaalsContact O-N 3.07Å; E561-V563 VanDerWaalsContact C-N 3.27Å; E561-V563 PolarHBondContact O-N 2.82Å; V563-I565 PolarHBondContact O-N 3.43Å; V563-M566 HydrophobicContact CG2-CE 4.2Å; V563-M566 WeakPolarHBondContact O-CB 3.11Å; V563-M566 PolarHBondContact O-N 2.94Å; V563-M566 VanDerWaalsContact O-N 3.13Å; V563-I567 HydrophobicContact CG1-CG1 4.32Å; V563-I567 WeakPolarHBondContact O-CG1 3.49Å; V563-I567 PolarHBondContact O-N 2.9Å
564	D	95.3	Very high	94.4	Very high	52 Å²	52	31 Å²	31	28%	0.278	16%	0.162	S	C	.	.	H	α-helix	trans	-66.6	-37.5	177.9	-65.7	-25	0	0	0	111	Q524 K560 E561 M566 I567 Q568	Q524-D564 PolarHBondContact NE2-OD1 3.43Å; K560-D564 WeakPolarHBondContact CE-OD2 3.38Å; K560-D564 IonicContact NZ-OD2 2.65Å; K560-D564 PolarHBondContact O-N 3.02Å; E561-D564 PolarHBondContact O-N 2.84Å; D564-M566 VanDerWaalsContact C-N 3.35Å; D564-M566 PolarHBondContact O-N 3.43Å; D564-I567 PolarHBondContact O-N 3.4Å; D564-Q568 WeakPolarHBondContact O-CB 3.46Å; D564-Q568 PolarHBondContact O-N 3.27Å
565	I	96.3	Very high	93.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-56.6	-46.4	168.6	-75.7	168.4	0	0	0	111.2	L557 E561 V563 S569 L587 R590 I591 K594	L557-I565 HydrophobicContact CD1-CD1 4.2Å; E561-I565 WeakPolarHBondContact O-CB 3.39Å; E561-I565 WeakPolarHBondContact O-CD1 3.36Å; E561-I565 WeakPolarHBondContact O-CG1 3.34Å; E561-I565 PolarHBondContact O-N 3Å; V563-I565 PolarHBondContact O-N 3.43Å; I565-S569 VanDerWaalsContact O-CB 3.26Å; I565-S569 WeakPolarHBondContact O-CB 3.27Å; I565-S569 PolarHBondContact O-N 3.35Å; I565-L587 HydrophobicContact CG2-CD2 3.51Å; I565-R590 PolarHBondContact O-NH1 3.27Å; I565-I591 HydrophobicContact CD1-CG1 3.9Å; I565-K594 HydrophobicContact CD1-CD 4.28Å
566	M	97.4	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-46.3	177.4	-75.8	-173.5	-87.8	0	0	112.1	L527 Y562 V563 D564 S569 V570 I667 I670 M671	L527-M566 HydrophobicContact CB-CE 4.22Å; L527-M566 HydrophobicContact CD1-CB 3.72Å; L527-M566 HydrophobicContact CD1-CE 4.32Å; L527-M566 HydrophobicContact CD1-CG 4.49Å; L527-M566 HydrophobicContact CD1-SD 4.05Å; L527-M566 HydrophobicContact CD2-CE 4.41Å; L527-M566 HydrophobicContact CD2-SD 3.89Å; L527-M566 HydrophobicContact CG-SD 4.46Å; Y562-M566 WeakPolarHBondContact O-CE 3.44Å; Y562-M566 VanDerWaalsContact O-CG 3.31Å; Y562-M566 WeakPolarHBondContact O-CG 3.43Å; Y562-M566 PolarHBondContact O-N 3.36Å; V563-M566 HydrophobicContact CG2-CE 4.2Å; V563-M566 WeakPolarHBondContact O-CB 3.11Å; V563-M566 PolarHBondContact O-N 2.94Å; V563-M566 VanDerWaalsContact O-N 3.13Å; D564-M566 VanDerWaalsContact C-N 3.35Å; D564-M566 PolarHBondContact O-N 3.43Å; M566-S569 CarbonylContact O-C 3.57Å; M566-S569 WeakPolarHBondContact O-CB 3.39Å; M566-S569 PolarHBondContact O-N 3.28Å; M566-V570 WeakPolarHBondContact O-CG2 3.32Å; M566-V570 PolarHBondContact O-N 3.32Å; M566-I667 HydrophobicContact CG-CG2 3.41Å; M566-I667 VanDerWaalsContact CG-CG2 3.41Å; M566-I667 HydrophobicContact SD-CG2 3.77Å; M566-I670 HydrophobicContact CE-CG2 4.49Å; M566-I670 HydrophobicContact SD-CG2 4.15Å; M566-M671 HydrophobicContact CB-CE 4.36Å; M566-M671 HydrophobicContact CB-CG 3.98Å; M566-M671 HydrophobicContact CB-SD 4.1Å; M566-M671 HydrophobicContact CG-CG 3.61Å; M566-M671 HydrophobicContact CG-SD 3.74Å; M566-M671 WeakPolarHBondContact O-CE 3.29Å; M566-M671 HydrophobicContact SD-CG 3.49Å; M566-M671 WeakPolarHBondContact SD-CG 3.19Å; M566-M671 HydrophobicContact SD-SD 4.36Å
567	I	95.6	Very high	93.1	Very high	14 Å²	14	36 Å²	36	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-39.7	-177.4	-66.2	-69.7	0	0	0	112.1	R520 W523 Q524 L527 V563 D564 S569 V570 S571	R520-I567 HydrophobicContact CG-CG2 4.12Å; W523-I567 HydrophobicContact CB-CD1 3.69Å; W523-I567 HydrophobicContact CE3-CD1 4.42Å; Q524-I567 HydrophobicContact CG-CD1 4.32Å; Q524-I567 HydrophobicContact CG-CG1 3.88Å; L527-I567 HydrophobicContact CD1-CD1 3.96Å; L527-I567 HydrophobicContact CD1-CG1 4.2Å; V563-I567 HydrophobicContact CG1-CG1 4.32Å; V563-I567 WeakPolarHBondContact O-CG1 3.49Å; V563-I567 PolarHBondContact O-N 2.9Å; D564-I567 PolarHBondContact O-N 3.4Å; I567-S569 VanDerWaalsContact C-N 3.3Å; I567-S569 PolarHBondContact O-N 3.39Å; I567-V570 PolarHBondContact O-N 2.82Å; I567-S571 PolarHBondContact O-N 2.71Å; I567-S571 PolarHBondContact O-OG 3.33Å
568	Q	93.6	Very high	92.9	Very high	28 Å²	28	38.4 Å²	38.4	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-38.3	171.1	-172.4	-175.3	-5.2	0	0	110.9	D564 V570 S571 N572 T728	D564-Q568 WeakPolarHBondContact O-CB 3.46Å; D564-Q568 PolarHBondContact O-N 3.27Å; Q568-V570 VanDerWaalsContact C-N 3.29Å; Q568-V570 PolarHBondContact O-N 2.93Å; Q568-S571 PolarHBondContact O-N 2.95Å; Q568-S571 VanDerWaalsContact O-N 3.13Å; Q568-N572 WeakPolarHBondContact O-CB 3.46Å; Q568-N572 PolarHBondContact O-N 3.35Å; Q568-N572 PolarHBondContact O-OD1 3.32Å; Q568-T728 PolarHBondContact NE2-O 2.89Å
569	S	94.6	Very high	92.8	Very high	17 Å²	17	33.7 Å²	33.7	12%	0.119	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-22.9	176.3	-172.8	0	0	0	0	114.2	I565 M566 I567 L583	I565-S569 VanDerWaalsContact O-CB 3.26Å; I565-S569 WeakPolarHBondContact O-CB 3.27Å; I565-S569 PolarHBondContact O-N 3.35Å; M566-S569 CarbonylContact O-C 3.57Å; M566-S569 WeakPolarHBondContact O-CB 3.39Å; M566-S569 PolarHBondContact O-N 3.28Å; I567-S569 VanDerWaalsContact C-N 3.3Å; I567-S569 PolarHBondContact O-N 3.39Å; S569-L583 VanDerWaalsContact OG-CD1 3.31Å; S569-L583 WeakPolarHBondContact OG-CD1 3.27Å
570	V	93.6	Very high	92.6	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-75.9	-42.7	167.6	176.1	0	0	0	0	110.3	W523 M566 I567 Q568 N572 L573 M671 L675 L694 L715	W523-V570 HydrophobicContact CZ3-CG1 4.33Å; M566-V570 WeakPolarHBondContact O-CG2 3.32Å; M566-V570 PolarHBondContact O-N 3.32Å; I567-V570 PolarHBondContact O-N 2.82Å; Q568-V570 VanDerWaalsContact C-N 3.29Å; Q568-V570 PolarHBondContact O-N 2.93Å; V570-N572 VanDerWaalsContact C-N 3.31Å; V570-N572 PolarHBondContact O-N 2.8Å; V570-L573 WeakPolarHBondContact O-CB 3.49Å; V570-L573 PolarHBondContact O-N 2.85Å; V570-M671 HydrophobicContact CG2-CE 3.72Å; V570-L675 HydrophobicContact CG2-CD1 3.57Å; V570-L694 HydrophobicContact CG2-CD1 4.44Å; V570-L715 HydrophobicContact CG1-CD1 4.49Å; V570-L715 HydrophobicContact CG1-CD2 3.58Å
571	S	89	Confident	92.5	Very high	35 Å²	35	33 Å²	33	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-35.6	-178.6	-56.1	0	0	0	0	112.1	R520 I567 Q568 Q719	R520-S571 PolarHBondContact NH2-OG 3.25Å; R520-S571 VanDerWaalsContact NH2-OG 3.09Å; I567-S571 PolarHBondContact O-N 2.71Å; I567-S571 PolarHBondContact O-OG 3.33Å; Q568-S571 PolarHBondContact O-N 2.95Å; Q568-S571 VanDerWaalsContact O-N 3.13Å; S571-Q719 PolarHBondContact O-NE2 3.16Å
572	N	88.1	Confident	92.3	Very high	81 Å²	81	35.4 Å²	35.4	43%	0.433	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.3	-179.8	-64.5	16	0	0	0	113.9	Q568 V570 T728	Q568-N572 WeakPolarHBondContact O-CB 3.46Å; Q568-N572 PolarHBondContact O-N 3.35Å; Q568-N572 PolarHBondContact O-OD1 3.32Å; V570-N572 VanDerWaalsContact C-N 3.31Å; V570-N572 PolarHBondContact O-N 2.8Å; N572-T728 PolarHBondContact ND2-O 3.48Å
573	L	89.8	Confident	92.2	Very high	12 Å²	12	36 Å²	36	6%	0.063	20%	0.201	C	C	.	.			trans	-80.9	122.8	-175.8	-169.4	72.1	0	0	0	111.2	V570 E578 L583 L694 I709 P711	V570-L573 WeakPolarHBondContact O-CB 3.49Å; V570-L573 PolarHBondContact O-N 2.85Å; L573-E578 HydrophobicContact CD1-CB 3.86Å; L573-L583 HydrophobicContact CD1-CD1 4.32Å; L573-L583 HydrophobicContact CD1-CD2 4.34Å; L573-L694 HydrophobicContact CD2-CD2 3.59Å; L573-I709 HydrophobicContact CD2-CG2 4.36Å; L573-P711 HydrophobicContact CD2-CB 4.3Å; L573-P711 HydrophobicContact CD2-CG 4.31Å
574	P	87	Confident	92.2	Very high	43 Å²	43	35.9 Å²	35.9	28%	0.279	20%	0.2	S	C	.	.			trans	-69.8	152.5	-176.2	27.8	-35.2	0	0	0	112.6	S576 G577	P574-S576 PolarHBondContact O-N 3.18Å; P574-G577 WeakPolarHBondContact O-CA 3.42Å; P574-G577 PolarHBondContact O-N 3.11Å
575	P	85.1	Confident	92.1	Very high	48 Å²	48	34 Å²	34	31%	0.312	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.8	178.1	-28.8	36.9	0	0	0	115.4	G577 K710 T716	P575-G577 PolarHBondContact O-N 2.88Å; P575-K710 WeakPolarHBondContact O-CE 3.31Å; P575-T716 HydrophobicContact CB-CG2 3.83Å; P575-T716 HydrophobicContact CG-CG2 3.84Å
576	S	83.3	Confident	92	Very high	91 Å²	91	37 Å²	37	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.2	172.8	55	0	0	0	0	113.7	P574	P574-S576 PolarHBondContact O-N 3.18Å
577	G	89.5	Confident	91.9	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	21%	0.207	C	C	.	.			trans	77.4	163.8	-159.5	0	0	0	0	0	112.8	P574 P575 I709	P574-G577 WeakPolarHBondContact O-CA 3.42Å; P574-G577 PolarHBondContact O-N 3.11Å; P575-G577 PolarHBondContact O-N 2.88Å; G577-I709 CarbonylContact C-O 3.46Å; G577-I709 WeakPolarHBondContact CA-O 3.45Å
578	E	91.8	Very high	92	Very high	59 Å²	59	36.5 Å²	36.5	28%	0.276	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153	177.4	-174.9	49.7	-101.3	0	0	110.3	L573 L580 I582 L583 F708 I709	L573-E578 HydrophobicContact CD1-CB 3.86Å; E578-L580 PolarHBondContact O-N 3.43Å; E578-I582 HydrophobicContact CG-CB 4.24Å; E578-I582 HydrophobicContact CG-CG2 4.1Å; E578-I582 WeakPolarHBondContact OE1-CD1 3.45Å; E578-L583 HydrophobicContact CG-CB 4.41Å; E578-F708 VanDerWaalsContact C-CD1 3.41Å; E578-F708 CarbonylContact O-C 3.49Å; E578-F708 VanDerWaalsContact O-CA 3.25Å; E578-F708 WeakPolarHBondContact O-CA 3.14Å; E578-F708 WeakPolarHBondContact O-CD1 3.4Å; E578-I709 PolarHBondContact N-O 3.06Å; E578-I709 PolarHBondContact O-N 3.41Å
579	S	93.3	Very high	91.9	Very high	13 Å²	13	37.9 Å²	37.9	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.8	177.4	-171.8	0	0	0	0	110.7	K581 I582 L583 G707	S579-K581 PolarHBondContact O-N 3.46Å; S579-I582 PolarHBondContact O-N 3Å; S579-L583 PolarHBondContact O-N 3.34Å; S579-G707 WeakPolarHBondContact CA-O 3.42Å; S579-G707 PolarHBondContact OG-O 2.82Å
580	L	94.5	Very high	91.9	Very high	31 Å²	31	38.6 Å²	38.6	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-52	-35.9	178.7	173.6	60.6	0	0	0	112.2	E578 A584 V668 G707 I709	E578-L580 PolarHBondContact O-N 3.43Å; L580-A584 WeakPolarHBondContact O-CB 3.45Å; L580-A584 PolarHBondContact O-N 3.16Å; L580-V668 HydrophobicContact CD1-CB 4.27Å; L580-V668 HydrophobicContact CD1-CG1 3.73Å; L580-V668 HydrophobicContact CD1-CG2 4.43Å; L580-G707 PolarHBondContact N-O 3.05Å; L580-I709 HydrophobicContact CB-CG1 4.49Å; L580-I709 HydrophobicContact CD1-CD1 4.16Å; L580-I709 HydrophobicContact CD1-CG1 4.05Å
581	K	92.6	Very high	92.1	Very high	123 Å²	123	38.5 Å²	38.5	54%	0.535	21%	0.211	S	C	.	.	H	α-helix	trans	-69.3	-33.2	179.1	-178.6	175.9	174.2	-178.8	0	113.2	S579 H585 Y657 L661	S579-K581 PolarHBondContact O-N 3.46Å; K581-H585 WeakPolarHBondContact O-CB 3.5Å; K581-H585 PolarHBondContact O-N 2.77Å; K581-Y657 WeakPolarHBondContact CE-OH 3.22Å; K581-L661 HydrophobicContact CG-CD2 4.18Å; K581-L661 WeakPolarHBondContact O-CD2 3.46Å
582	I	93.1	Very high	92.3	Very high	79 Å²	79	37.8 Å²	37.8	41%	0.405	20%	0.203	S	C	.	.	H	α-helix	trans	-77.1	-57.2	178.7	-66.5	173.8	0	0	0	108	E578 S579 A584 H585 D586	E578-I582 HydrophobicContact CG-CB 4.24Å; E578-I582 HydrophobicContact CG-CG2 4.1Å; E578-I582 WeakPolarHBondContact OE1-CD1 3.45Å; S579-I582 PolarHBondContact O-N 3Å; I582-A584 VanDerWaalsContact C-N 3.31Å; I582-A584 PolarHBondContact O-N 2.92Å; I582-H585 WeakPolarHBondContact O-CA 3.12Å; I582-H585 WeakPolarHBondContact O-CB 3.36Å; I582-H585 PolarHBondContact O-N 2.93Å; I582-D586 VanDerWaalsContact CG2-OD2 3.26Å; I582-D586 WeakPolarHBondContact CG2-OD2 3.48Å; I582-D586 VanDerWaalsContact O-CG 3.25Å; I582-D586 PolarHBondContact O-N 3.27Å
583	L	95.5	Very high	92.5	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.073	19%	0.19	C	C	.	.	H	α-helix	trans	-51.6	-45.8	177.9	-175.3	65.3	0	0	0	113.2	S569 L573 E578 S579 D586 L587 V668 I709	S569-L583 VanDerWaalsContact OG-CD1 3.31Å; S569-L583 WeakPolarHBondContact OG-CD1 3.27Å; L573-L583 HydrophobicContact CD1-CD1 4.32Å; L573-L583 HydrophobicContact CD1-CD2 4.34Å; E578-L583 HydrophobicContact CG-CB 4.41Å; S579-L583 PolarHBondContact O-N 3.34Å; L583-D586 PolarHBondContact O-N 3.47Å; L583-L587 HydrophobicContact CD1-CD1 4.27Å; L583-L587 HydrophobicContact CG-CD1 4.08Å; L583-L587 WeakPolarHBondContact O-CB 3.01Å; L583-L587 WeakPolarHBondContact O-CD1 3.47Å; L583-L587 VanDerWaalsContact O-CG 3.29Å; L583-L587 WeakPolarHBondContact O-CG 3.17Å; L583-L587 PolarHBondContact O-N 3.2Å; L583-V668 HydrophobicContact CD2-CG2 4.02Å; L583-V668 HydrophobicContact CG-CG2 4.02Å; L583-I709 HydrophobicContact CD2-CB 3.68Å; L583-I709 HydrophobicContact CD2-CG1 3.76Å; L583-I709 HydrophobicContact CD2-CG2 4Å
584	A	96.5	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-42.6	176	0	0	0	0	0	112.5	L580 I582 D586 G588 L661 G664	L580-A584 WeakPolarHBondContact O-CB 3.45Å; L580-A584 PolarHBondContact O-N 3.16Å; I582-A584 VanDerWaalsContact C-N 3.31Å; I582-A584 PolarHBondContact O-N 2.92Å; A584-D586 VanDerWaalsContact C-N 3.31Å; A584-D586 PolarHBondContact O-N 3.18Å; A584-G588 PolarHBondContact O-N 3.26Å; A584-L661 HydrophobicContact CB-CD2 4.4Å; A584-G664 VanDerWaalsContact O-CA 3.3Å; A584-G664 WeakPolarHBondContact O-CA 3.36Å
585	H	94.8	Very high	93.1	Very high	13 Å²	13	34.1 Å²	34.1	6%	0.06	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-46.4	176.7	172.6	-101	0	0	0	111.2	K581 I582 G588 N589 Y657 L661 H763	K581-H585 WeakPolarHBondContact O-CB 3.5Å; K581-H585 PolarHBondContact O-N 2.77Å; I582-H585 WeakPolarHBondContact O-CA 3.12Å; I582-H585 WeakPolarHBondContact O-CB 3.36Å; I582-H585 PolarHBondContact O-N 2.93Å; H585-G588 CarbonylContact O-C 3.52Å; H585-G588 PolarHBondContact O-N 2.7Å; H585-N589 WeakPolarHBondContact O-CB 3.26Å; H585-N589 PolarHBondContact O-N 3.34Å; H585-Y657 AromaticContact CD2-CD2 3.77Å; H585-Y657 AromaticContact CD2-CE2 3.32Å; H585-Y657 WeakPolarHBondContact CD2-CE2 3.32Å; H585-Y657 AromaticContact NE2-CE2 3.85Å; H585-L661 HydrophobicContact CB-CD2 3.92Å; H585-H763 AromaticContact CE1-CD2 3.47Å; H585-H763 PolarHBondContact CE1-CD2 3.03Å; H585-H763 VanDerWaalsContact CE1-CD2 3.47Å; H585-H763 AromaticContact CE1-NE2 3.24Å; H585-H763 PolarHBondContact CE1-NE2 3.3Å; H585-H763 AromaticContact ND1-NE2 3.92Å; H585-H763 AromaticContact NE2-CD2 3.49Å; H585-H763 PolarHBondContact NE2-CD2 3.49Å; H585-H763 AromaticContact NE2-NE2 3.78Å
586	D	93.4	Very high	93.5	Very high	68 Å²	68	31.9 Å²	31.9	36%	0.364	17%	0.166	S	C	.	.	H	α-helix	trans	-72.5	-40	-171.2	-57.5	-19.9	0	0	0	110.6	I582 L583 A584 G588 N589 R590	I582-D586 VanDerWaalsContact CG2-OD2 3.26Å; I582-D586 WeakPolarHBondContact CG2-OD2 3.48Å; I582-D586 VanDerWaalsContact O-CG 3.25Å; I582-D586 PolarHBondContact O-N 3.27Å; L583-D586 PolarHBondContact O-N 3.47Å; A584-D586 VanDerWaalsContact C-N 3.31Å; A584-D586 PolarHBondContact O-N 3.18Å; D586-G588 VanDerWaalsContact C-N 3.34Å; D586-G588 PolarHBondContact O-N 2.96Å; D586-N589 PolarHBondContact O-N 3.45Å; D586-R590 WeakPolarHBondContact O-CB 3.29Å; D586-R590 WeakPolarHBondContact O-CG 3.34Å; D586-R590 PolarHBondContact O-N 3.42Å
587	L	96.3	Very high	94	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-56.7	-44.4	168.1	-75.3	166.2	0	0	0	112.4	I565 L583 I591 I667 V668 M671	I565-L587 HydrophobicContact CG2-CD2 3.51Å; L583-L587 HydrophobicContact CD1-CD1 4.27Å; L583-L587 HydrophobicContact CG-CD1 4.08Å; L583-L587 WeakPolarHBondContact O-CB 3.01Å; L583-L587 WeakPolarHBondContact O-CD1 3.47Å; L583-L587 VanDerWaalsContact O-CG 3.29Å; L583-L587 WeakPolarHBondContact O-CG 3.17Å; L583-L587 PolarHBondContact O-N 3.2Å; L587-I591 WeakPolarHBondContact O-CG1 2.88Å; L587-I591 PolarHBondContact O-N 3.44Å; L587-I667 HydrophobicContact CD1-CG2 4.2Å; L587-I667 HydrophobicContact CD2-CG2 4.3Å; L587-V668 HydrophobicContact CD1-CG2 3.43Å; L587-V668 VanDerWaalsContact CD1-CG2 3.43Å; L587-M671 HydrophobicContact CD1-SD 3.98Å
588	G	96.1	Very high	94.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-41	176.4	0	0	0	0	0	113.2	A584 H585 D586 I591 Y592	A584-G588 PolarHBondContact O-N 3.26Å; H585-G588 CarbonylContact O-C 3.52Å; H585-G588 PolarHBondContact O-N 2.7Å; D586-G588 VanDerWaalsContact C-N 3.34Å; D586-G588 PolarHBondContact O-N 2.96Å; G588-I591 PolarHBondContact O-N 3Å; G588-Y592 WeakPolarHBondContact O-CB 3.35Å; G588-Y592 PolarHBondContact O-N 2.91Å
589	N	93.3	Very high	94.1	Very high	57 Å²	57	29.3 Å²	29.3	31%	0.305	14%	0.14	S	C	.	.	H	α-helix	trans	-69.2	-35.3	179.3	-176.3	73	0	0	0	112.5	H585 D586 Y592 T593	H585-N589 WeakPolarHBondContact O-CB 3.26Å; H585-N589 PolarHBondContact O-N 3.34Å; D586-N589 PolarHBondContact O-N 3.45Å; N589-Y592 PolarHBondContact O-N 3.42Å; N589-T593 WeakPolarHBondContact O-CB 3.5Å; N589-T593 PolarHBondContact O-N 2.72Å; N589-T593 PolarHBondContact O-OG1 3.47Å
590	R	94.4	Very high	94.1	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-39.1	175.1	-68.7	176.2	83.2	-128.6	-14.9	111.8	I565 D586 T593 K594 D730	I565-R590 PolarHBondContact O-NH1 3.27Å; D586-R590 WeakPolarHBondContact O-CB 3.29Å; D586-R590 WeakPolarHBondContact O-CG 3.34Å; D586-R590 PolarHBondContact O-N 3.42Å; R590-T593 PolarHBondContact O-N 2.71Å; R590-K594 PolarHBondContact O-N 3.49Å; R590-D730 WeakPolarHBondContact CD-OD2 3.17Å; R590-D730 WeakPolarHBondContact CG-OD2 3.39Å; R590-D730 IonicContact CZ-OD1 2.67Å; R590-D730 VanDerWaalsContact CZ-OD1 3.24Å; R590-D730 VanDerWaalsContact NE-CG 3.32Å; R590-D730 IonicContact NE-OD1 3.71Å; R590-D730 PolarHBondContact NE-OD1 2.94Å; R590-D730 IonicContact NE-OD2 2.65Å; R590-D730 PolarHBondContact NE-OD2 3.5Å; R590-D730 IonicContact NH2-OD1 2.88Å; R590-D730 PolarHBondContact NH2-OD1 3.28Å
591	I	96.1	Very high	93.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-48.5	171.2	-64.8	162.5	0	0	0	110.7	L557 Y562 I565 L587 G588 T593 K594 Y595 W655 L663 I667	L557-I591 HydrophobicContact CD1-CB 4.39Å; L557-I591 HydrophobicContact CD1-CG1 4.41Å; L557-I591 HydrophobicContact CD1-CG2 4.03Å; L557-I591 HydrophobicContact CG-CG2 4.42Å; Y562-I591 HydrophobicContact CD1-CD1 3.77Å; Y562-I591 HydrophobicContact CD1-CG1 3.98Å; Y562-I591 HydrophobicContact CE1-CD1 3.86Å; Y562-I591 HydrophobicContact CE1-CG1 3.97Å; Y562-I591 HydrophobicContact CE1-CG2 3.78Å; I565-I591 HydrophobicContact CD1-CG1 3.9Å; L587-I591 WeakPolarHBondContact O-CG1 2.88Å; L587-I591 PolarHBondContact O-N 3.44Å; G588-I591 PolarHBondContact O-N 3Å; I591-T593 VanDerWaalsContact C-N 3.32Å; I591-T593 PolarHBondContact O-N 2.68Å; I591-K594 PolarHBondContact O-N 3.2Å; I591-Y595 WeakPolarHBondContact O-CB 3.39Å; I591-Y595 PolarHBondContact O-N 2.79Å; I591-W655 HydrophobicContact CG2-CH2 4.45Å; I591-L663 HydrophobicContact CB-CD2 4.37Å; I591-L663 HydrophobicContact CD1-CD2 4.13Å; I591-L663 HydrophobicContact CD1-CG 4.28Å; I591-L663 HydrophobicContact CG2-CD2 4Å; I591-I667 HydrophobicContact CD1-CD1 4.4Å; I591-I667 HydrophobicContact CD1-CG1 3.97Å
592	Y	94.4	Very high	93.8	Very high	21 Å²	21	31.6 Å²	31.6	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-41.7	177.3	172.2	-111.9	0	0	0	112.5	G588 N589 Y595 C596 W655 M660	G588-Y592 WeakPolarHBondContact O-CB 3.35Å; G588-Y592 PolarHBondContact O-N 2.91Å; N589-Y592 PolarHBondContact O-N 3.42Å; Y592-Y595 HydrophobicContact CD2-CD1 4.35Å; Y592-Y595 WeakPolarHBondContact O-CB 3.28Å; Y592-Y595 PolarHBondContact O-N 3.16Å; Y592-C596 WeakPolarHBondContact CE2-SG 3.42Å; Y592-C596 PolarHBondContact O-N 3.16Å; Y592-C596 PolarHBondContact O-SG 2.69Å; Y592-W655 HydrophobicContact CD2-CB 4.07Å; Y592-W655 AromaticContact CD2-CD1 3.83Å; Y592-W655 AromaticContact CD2-CD2 3.44Å; Y592-W655 HydrophobicContact CD2-CD2 3.44Å; Y592-W655 VanDerWaalsContact CD2-CD2 3.44Å; Y592-W655 AromaticContact CD2-CE2 3.68Å; Y592-W655 AromaticContact CD2-CE3 3.85Å; Y592-W655 HydrophobicContact CD2-CE3 3.85Å; Y592-W655 AromaticContact CD2-CG 3.54Å; Y592-W655 HydrophobicContact CD2-CG 3.54Å; Y592-W655 HydrophobicContact CD2-CZ2 4.25Å; Y592-W655 HydrophobicContact CD2-CZ3 4.38Å; Y592-W655 AromaticContact CD2-NE1 3.92Å; Y592-W655 HydrophobicContact CE2-CB 4.15Å; Y592-W655 AromaticContact CE2-CD1 3.7Å; Y592-W655 HydrophobicContact CE2-CD2 4.12Å; Y592-W655 AromaticContact CE2-CG 3.75Å; Y592-W655 HydrophobicContact CE2-CG 3.75Å; Y592-W655 HydrophobicContact CG-CD2 4.26Å; Y592-W655 HydrophobicContact CG-CE3 4.24Å; Y592-W655 HydrophobicContact CG-CG 4.49Å; Y592-M660 HydrophobicContact CD1-SD 4.3Å; Y592-M660 HydrophobicContact CG-SD 4.36Å
593	T	92.8	Very high	93.8	Very high	24 Å²	24	28.3 Å²	28.3	15%	0.147	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-50.4	179.4	-58.4	0	0	0	0	111.4	N589 R590 I591 Y595 C596 V597 T754	N589-T593 WeakPolarHBondContact O-CB 3.5Å; N589-T593 PolarHBondContact O-N 2.72Å; N589-T593 PolarHBondContact O-OG1 3.47Å; R590-T593 PolarHBondContact O-N 2.71Å; I591-T593 VanDerWaalsContact C-N 3.32Å; I591-T593 PolarHBondContact O-N 2.68Å; T593-Y595 VanDerWaalsContact C-N 3.27Å; T593-Y595 PolarHBondContact O-N 3.24Å; T593-C596 PolarHBondContact O-N 3.36Å; T593-V597 WeakPolarHBondContact O-CG2 3.48Å; T593-V597 PolarHBondContact O-N 2.82Å; T593-V597 VanDerWaalsContact O-N 3.11Å; T593-T754 HydrophobicContact CG2-CG2 4.01Å
594	K	94.4	Very high	93.6	Very high	31 Å²	31	30 Å²	30	14%	0.135	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-36.6	173.9	-87.4	178.9	168.5	-70.7	0	112.5	C492 L557 E561 I565 R590 I591 R598	C492-K594 HydrophobicContact CB-CG 3.77Å; C492-K594 VanDerWaalsContact SG-CG 3.55Å; L557-K594 HydrophobicContact CD1-CB 3.84Å; L557-K594 HydrophobicContact CD1-CD 4.03Å; L557-K594 HydrophobicContact CD2-CB 3.64Å; L557-K594 HydrophobicContact CG-CB 4.41Å; E561-K594 WeakPolarHBondContact OE1-CD 3.37Å; E561-K594 WeakPolarHBondContact OE1-CE 3.44Å; E561-K594 IonicContact OE1-NZ 2.72Å; E561-K594 PolarHBondContact OE1-NZ 2.91Å; I565-K594 HydrophobicContact CD1-CD 4.28Å; R590-K594 PolarHBondContact O-N 3.49Å; I591-K594 PolarHBondContact O-N 3.2Å; K594-R598 WeakPolarHBondContact O-CG 3.49Å; K594-R598 PolarHBondContact O-N 3.22Å
595	Y	94.6	Very high	93.5	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-44.1	174.9	165.3	-110.9	0	0	0	112.5	F316 L556 I591 Y592 T593 R598 Q599 W655	F316-Y595 HydrophobicContact CB-CE2 4.22Å; F316-Y595 HydrophobicContact CD1-CD2 4.35Å; F316-Y595 AromaticContact CD1-CE2 3.95Å; F316-Y595 HydrophobicContact CD1-CE2 3.95Å; F316-Y595 HydrophobicContact CD2-CD2 4.41Å; F316-Y595 AromaticContact CD2-CE2 3.69Å; F316-Y595 HydrophobicContact CD2-CE2 3.69Å; F316-Y595 HydrophobicContact CE1-CD2 4.19Å; F316-Y595 HydrophobicContact CE1-CE2 4.2Å; F316-Y595 HydrophobicContact CE2-CD2 4.26Å; F316-Y595 AromaticContact CE2-CE2 3.96Å; F316-Y595 HydrophobicContact CE2-CE2 3.96Å; F316-Y595 HydrophobicContact CG-CD2 4.45Å; F316-Y595 AromaticContact CG-CE2 3.68Å; F316-Y595 HydrophobicContact CG-CE2 3.68Å; F316-Y595 HydrophobicContact CZ-CD2 4.13Å; F316-Y595 HydrophobicContact CZ-CE2 4.2Å; L556-Y595 HydrophobicContact CB-CD2 3.89Å; L556-Y595 HydrophobicContact CD1-CD1 4.45Å; L556-Y595 HydrophobicContact CD1-CD2 3.67Å; L556-Y595 HydrophobicContact CD1-CE2 3.95Å; L556-Y595 HydrophobicContact CD1-CG 3.9Å; L556-Y595 HydrophobicContact CD2-CD2 4.11Å; L556-Y595 HydrophobicContact CD2-CE2 3.91Å; L556-Y595 HydrophobicContact CG-CD2 4.09Å; L556-Y595 HydrophobicContact CG-CE2 4.34Å; I591-Y595 WeakPolarHBondContact O-CB 3.39Å; I591-Y595 PolarHBondContact O-N 2.79Å; Y592-Y595 HydrophobicContact CD2-CD1 4.35Å; Y592-Y595 WeakPolarHBondContact O-CB 3.28Å; Y592-Y595 PolarHBondContact O-N 3.16Å; T593-Y595 VanDerWaalsContact C-N 3.27Å; T593-Y595 PolarHBondContact O-N 3.24Å; Y595-R598 PolarHBondContact O-N 2.8Å; Y595-Q599 VanDerWaalsContact O-CB 3.31Å; Y595-Q599 WeakPolarHBondContact O-CB 3.34Å; Y595-Q599 PolarHBondContact O-N 2.82Å; Y595-Q599 PolarHBondContact OH-NE2 3.16Å; Y595-W655 AromaticContact CD1-CE2 3.97Å; Y595-W655 HydrophobicContact CD1-CH2 4.45Å; Y595-W655 AromaticContact CD1-CZ2 3.56Å; Y595-W655 HydrophobicContact CD1-CZ2 3.56Å; Y595-W655 AromaticContact CE1-CZ2 3.89Å; Y595-W655 HydrophobicContact CE1-CZ2 3.89Å; Y595-W655 AromaticContact CE1-NE1 3.68Å; Y595-W655 HydrophobicContact CG-CZ2 4.06Å
596	C	92.8	Very high	93.5	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-45.2	177.3	-62.6	0	0	0	0	111.5	Y592 T593 R598 Q599 K600 E652 P755	Y592-C596 WeakPolarHBondContact CE2-SG 3.42Å; Y592-C596 PolarHBondContact O-N 3.16Å; Y592-C596 PolarHBondContact O-SG 2.69Å; T593-C596 PolarHBondContact O-N 3.36Å; C596-R598 PolarHBondContact O-N 2.86Å; C596-Q599 CarbonylContact O-C 3.57Å; C596-Q599 WeakPolarHBondContact O-CA 3.4Å; C596-Q599 WeakPolarHBondContact O-CB 3.31Å; C596-Q599 PolarHBondContact O-N 3.45Å; C596-K600 PolarHBondContact O-N 3.1Å; C596-E652 WeakPolarHBondContact CB-OE1 3.34Å; C596-P755 HydrophobicContact CB-CG 3.57Å
597	V	93	Very high	93.5	Very high	12 Å²	12	30.8 Å²	30.8	7%	0.073	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-46.4	175.1	174.3	0	0	0	0	111.6	T593 Q599 K600 H601 L753	T593-V597 WeakPolarHBondContact O-CG2 3.48Å; T593-V597 PolarHBondContact O-N 2.82Å; T593-V597 VanDerWaalsContact O-N 3.11Å; V597-Q599 VanDerWaalsContact C-N 3.34Å; V597-Q599 PolarHBondContact O-N 2.87Å; V597-K600 PolarHBondContact O-N 2.93Å; V597-H601 PolarHBondContact O-N 3.16Å; V597-L753 HydrophobicContact CG1-CB 4.45Å; V597-L753 HydrophobicContact CG1-CD1 4.11Å; V597-L753 HydrophobicContact CG2-CB 4.04Å
598	R	92.8	Very high	93.4	Very high	81 Å²	81	31.6 Å²	31.6	31%	0.306	15%	0.151	S	C	.	.	H	α-helix	trans	-63.1	-36.6	173.1	-72.3	-176.6	175.3	-115.9	-12.4	112.6	F316 E558 E561 K594 Y595 C596 H601 Q602	F316-R598 HydrophobicContact CZ-CB 3.95Å; E558-R598 IonicContact OE1-CZ 2.83Å; E558-R598 IonicContact OE1-NH1 2.69Å; E558-R598 PolarHBondContact OE1-NH1 2.77Å; E558-R598 VanDerWaalsContact OE1-NH1 3.11Å; E558-R598 IonicContact OE1-NH2 3.51Å; E558-R598 PolarHBondContact OE1-NH2 3.45Å; E561-R598 IonicContact OE1-NH2 3.93Å; E561-R598 IonicContact OE2-CZ 3.12Å; E561-R598 IonicContact OE2-NE 3.61Å; E561-R598 PolarHBondContact OE2-NE 3.1Å; E561-R598 IonicContact OE2-NH2 3.44Å; E561-R598 PolarHBondContact OE2-NH2 3.25Å; K594-R598 WeakPolarHBondContact O-CG 3.49Å; K594-R598 PolarHBondContact O-N 3.22Å; Y595-R598 PolarHBondContact O-N 2.8Å; C596-R598 PolarHBondContact O-N 2.86Å; R598-H601 PolarHBondContact O-N 3.35Å; R598-Q602 PolarHBondContact O-N 3.07Å
599	Q	91.9	Very high	93.4	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-38.1	178.1	177.3	164.7	88.9	0	0	112.5	F316 Y595 C596 V597 H601 N603	F316-Q599 HydrophobicContact CE2-CB 4.23Å; Y595-Q599 VanDerWaalsContact O-CB 3.31Å; Y595-Q599 WeakPolarHBondContact O-CB 3.34Å; Y595-Q599 PolarHBondContact O-N 2.82Å; Y595-Q599 PolarHBondContact OH-NE2 3.16Å; C596-Q599 CarbonylContact O-C 3.57Å; C596-Q599 WeakPolarHBondContact O-CA 3.4Å; C596-Q599 WeakPolarHBondContact O-CB 3.31Å; C596-Q599 PolarHBondContact O-N 3.45Å; V597-Q599 VanDerWaalsContact C-N 3.34Å; V597-Q599 PolarHBondContact O-N 2.87Å; Q599-H601 VanDerWaalsContact C-N 3.35Å; Q599-N603 WeakPolarHBondContact CG-ND2 3.35Å; Q599-N603 VanDerWaalsContact O-CB 3.31Å; Q599-N603 WeakPolarHBondContact O-CB 3.23Å; Q599-N603 VanDerWaalsContact O-CG 3.24Å; Q599-N603 PolarHBondContact O-N 3.49Å; Q599-N603 VanDerWaalsContact O-N 3.11Å; Q599-N603 PolarHBondContact O-ND2 2.94Å
600	K	92.2	Very high	93.6	Very high	19 Å²	19	33 Å²	33	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-45.6	171	-75.1	-179.9	173.6	177.1	0	111.4	C596 V597 N603 C604 I605 V606 E652 L752 L753	C596-K600 PolarHBondContact O-N 3.1Å; V597-K600 PolarHBondContact O-N 2.93Å; K600-N603 PolarHBondContact O-N 3.37Å; K600-C604 PolarHBondContact O-N 3.32Å; K600-I605 HydrophobicContact CB-CB 4.18Å; K600-I605 HydrophobicContact CB-CG2 4.39Å; K600-I605 HydrophobicContact CG-CB 4.44Å; K600-I605 HydrophobicContact CG-CD1 4.5Å; K600-I605 HydrophobicContact CG-CG2 4.25Å; K600-I605 WeakPolarHBondContact O-CB 3.45Å; K600-I605 PolarHBondContact O-N 2.71Å; K600-V606 HydrophobicContact CB-CG2 4.3Å; K600-E652 WeakPolarHBondContact CE-OE1 3.34Å; K600-E652 WeakPolarHBondContact CG-OE1 3.5Å; K600-L752 PolarHBondContact NZ-O 3.16Å; K600-L753 HydrophobicContact CD-CB 4.42Å; K600-L753 HydrophobicContact CD-CD2 4.11Å; K600-L753 WeakPolarHBondContact CE-O 3.31Å; K600-L753 PolarHBondContact NZ-O 3.04Å
601	H	91.8	Very high	93.7	Very high	106 Å²	106	34.3 Å²	34.3	49%	0.491	17%	0.17	S	C	.	.	H	α-helix	trans	-66.2	-44	178.8	-162.6	-17.8	0	0	0	112.7	V597 R598 Q599 N603 C604 V606 E607	V597-H601 PolarHBondContact O-N 3.16Å; R598-H601 PolarHBondContact O-N 3.35Å; Q599-H601 VanDerWaalsContact C-N 3.35Å; H601-N603 PolarHBondContact O-N 2.95Å; H601-C604 PolarHBondContact O-N 2.88Å; H601-V606 HydrophobicContact CB-CG2 4.14Å; H601-E607 IonicContact ND1-OE1 3.85Å
602	Q	90.8	Very high	93.8	Very high	89 Å²	89	34.2 Å²	34.2	42%	0.416	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-28.5	177.5	-165.8	-175.4	43.6	0	0	112.4	F316 Q423 R598	F316-Q602 VanDerWaalsContact CE2-OE1 3.31Å; Q423-Q602 PolarHBondContact NE2-O 3.33Å; R598-Q602 PolarHBondContact O-N 3.07Å
603	N	91.4	Very high	93.9	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.053	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.4	-178.9	-70.2	-33.9	0	0	0	114.5	R422 Q423 Q599 K600 H601 I605	R422-N603 HydrophobicContact CB-CB 4.1Å; R422-N603 WeakPolarHBondContact CB-OD1 3.41Å; R422-N603 WeakPolarHBondContact CD-OD1 3.24Å; R422-N603 HydrophobicContact CG-CB 4.27Å; Q423-N603 PolarHBondContact N-O 3.38Å; Q599-N603 WeakPolarHBondContact CG-ND2 3.35Å; Q599-N603 VanDerWaalsContact O-CB 3.31Å; Q599-N603 WeakPolarHBondContact O-CB 3.23Å; Q599-N603 VanDerWaalsContact O-CG 3.24Å; Q599-N603 PolarHBondContact O-N 3.49Å; Q599-N603 VanDerWaalsContact O-N 3.11Å; Q599-N603 PolarHBondContact O-ND2 2.94Å; K600-N603 PolarHBondContact O-N 3.37Å; H601-N603 PolarHBondContact O-N 2.95Å; N603-I605 VanDerWaalsContact C-N 3.25Å; N603-I605 HydrophobicContact CB-CD1 3.86Å; N603-I605 HydrophobicContact CB-CG1 3.91Å; N603-I605 PolarHBondContact O-N 3.5Å
604	C	92.3	Very high	94.1	Very high	49 Å²	49	33.1 Å²	33.1	33%	0.331	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	26.7	-174.9	-55	0	0	0	0	114.6	K600 H601 E607 P646	K600-C604 PolarHBondContact O-N 3.32Å; H601-C604 PolarHBondContact O-N 2.88Å; C604-E607 WeakPolarHBondContact CA-OE2 3.25Å; C604-P646 WeakPolarHBondContact O-CG 3.13Å
605	I	93.4	Very high	94.2	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-78.1	-28	-178.3	-65.6	175.6	0	0	0	111	K600 N603 L609 P646 L648 A651	K600-I605 HydrophobicContact CB-CB 4.18Å; K600-I605 HydrophobicContact CB-CG2 4.39Å; K600-I605 HydrophobicContact CG-CB 4.44Å; K600-I605 HydrophobicContact CG-CD1 4.5Å; K600-I605 HydrophobicContact CG-CG2 4.25Å; K600-I605 WeakPolarHBondContact O-CB 3.45Å; K600-I605 PolarHBondContact O-N 2.71Å; N603-I605 VanDerWaalsContact C-N 3.25Å; N603-I605 HydrophobicContact CB-CD1 3.86Å; N603-I605 HydrophobicContact CB-CG1 3.91Å; N603-I605 PolarHBondContact O-N 3.5Å; I605-L609 WeakPolarHBondContact O-CB 3.47Å; I605-L609 PolarHBondContact O-N 3.4Å; I605-P646 HydrophobicContact CG1-CB 4.07Å; I605-P646 HydrophobicContact CG1-CG 4.24Å; I605-L648 HydrophobicContact CG2-CD2 3.9Å; I605-A651 HydrophobicContact CD1-CB 3.72Å
606	V	94.4	Very high	94.4	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-42.8	-175.4	180	0	0	0	0	111	L486 K600 H601 L609 Q610 L753	L486-V606 HydrophobicContact CD1-CG1 4.2Å; L486-V606 HydrophobicContact CD2-CG1 4.11Å; K600-V606 HydrophobicContact CB-CG2 4.3Å; H601-V606 HydrophobicContact CB-CG2 4.14Å; V606-L609 PolarHBondContact O-N 3.13Å; V606-Q610 WeakPolarHBondContact O-CB 3.29Å; V606-Q610 PolarHBondContact O-N 3.19Å; V606-L753 HydrophobicContact CG2-CD2 3.99Å
607	E	94.4	Very high	94.5	Very high	85 Å²	85	32.5 Å²	32.5	40%	0.397	17%	0.17	S	C	.	.	H	α-helix	trans	-67.7	-43.7	-178.9	-56.7	88.8	151.3	0	0	110.5	H601 C604 Q610 S611	H601-E607 IonicContact ND1-OE1 3.85Å; C604-E607 WeakPolarHBondContact CA-OE2 3.25Å; E607-Q610 PolarHBondContact O-N 2.86Å; E607-S611 PolarHBondContact O-N 3.25Å
608	K	95	Very high	94.6	Very high	20 Å²	20	36.6 Å²	36.6	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-39.8	173.6	-173.2	169.4	-179.1	165.6	0	112.2	Q610 S611 I612 Q642 S644 P646 L648	K608-Q610 VanDerWaalsContact C-N 3.34Å; K608-Q610 PolarHBondContact O-N 3.35Å; K608-S611 PolarHBondContact O-N 3.41Å; K608-I612 HydrophobicContact CG-CD1 3.91Å; K608-I612 PolarHBondContact O-N 2.7Å; K608-Q642 WeakPolarHBondContact CE-O 3.37Å; K608-Q642 PolarHBondContact NZ-O 3.08Å; K608-S644 PolarHBondContact NZ-O 3.05Å; K608-P646 HydrophobicContact CB-CG 4.42Å; K608-P646 HydrophobicContact CD-CG 4.12Å; K608-P646 VanDerWaalsContact CD-O 3.25Å; K608-P646 WeakPolarHBondContact CD-O 3.4Å; K608-P646 WeakPolarHBondContact CE-O 3.31Å; K608-P646 PolarHBondContact NZ-O 2.68Å; K608-L648 HydrophobicContact CB-CD2 4.23Å; K608-L648 HydrophobicContact CD-CD2 4.32Å; K608-L648 HydrophobicContact CG-CD2 4.08Å
609	L	95.7	Very high	94.7	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-42.6	173.8	177.4	65.3	0	0	0	111.4	I605 V606 I612 Y613 W635 L648 V741 L752 L753	I605-L609 WeakPolarHBondContact O-CB 3.47Å; I605-L609 PolarHBondContact O-N 3.4Å; V606-L609 PolarHBondContact O-N 3.13Å; L609-I612 PolarHBondContact O-N 3.29Å; L609-Y613 WeakPolarHBondContact O-CB 3.44Å; L609-Y613 PolarHBondContact O-N 3.33Å; L609-W635 HydrophobicContact CD1-CH2 3.61Å; L609-W635 HydrophobicContact CD1-CZ2 3.61Å; L609-L648 HydrophobicContact CB-CD2 4.43Å; L609-V741 HydrophobicContact CD1-CG2 4.4Å; L609-L752 HydrophobicContact CD2-CB 4.21Å; L609-L752 WeakPolarHBondContact CD2-O 3.32Å; L609-L753 HydrophobicContact CD2-CD2 4.03Å
610	Q	96.8	Very high	94.9	Very high	82 Å²	82	32.4 Å²	32.4	38%	0.383	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-42.9	175.5	172	173.1	-15.1	0	0	112.2	F482 V606 E607 K608 G614	F482-Q610 HydrophobicContact CE1-CB 3.84Å; F482-Q610 HydrophobicContact CE1-CG 3.93Å; F482-Q610 HydrophobicContact CZ-CB 4.06Å; V606-Q610 WeakPolarHBondContact O-CB 3.29Å; V606-Q610 PolarHBondContact O-N 3.19Å; E607-Q610 PolarHBondContact O-N 2.86Å; K608-Q610 VanDerWaalsContact C-N 3.34Å; K608-Q610 PolarHBondContact O-N 3.35Å; Q610-G614 PolarHBondContact O-N 3.14Å
611	S	96.8	Very high	95.1	Very high	60 Å²	60	31.5 Å²	31.5	42%	0.42	17%	0.168	S	C	.	.	H	α-helix	trans	-64.7	-45.5	176.8	-176.2	0	0	0	0	112.6	E607 K608 G614 A615 Q642	E607-S611 PolarHBondContact O-N 3.25Å; K608-S611 PolarHBondContact O-N 3.41Å; S611-G614 PolarHBondContact O-N 2.71Å; S611-A615 PolarHBondContact O-N 3.23Å; S611-Q642 VanDerWaalsContact CB-OE1 3.23Å; S611-Q642 PolarHBondContact O-NE2 3.46Å; S611-Q642 PolarHBondContact OG-NE2 2.65Å; S611-Q642 PolarHBondContact OG-OE1 3.06Å
612	I	97.3	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.7	-42.1	178.3	-71.6	169	0	0	0	111.2	K608 L609 G614 A615 Y616 W635 L638 E639 Q642 L648	K608-I612 HydrophobicContact CG-CD1 3.91Å; K608-I612 PolarHBondContact O-N 2.7Å; L609-I612 PolarHBondContact O-N 3.29Å; I612-G614 VanDerWaalsContact C-N 3.33Å; I612-G614 PolarHBondContact O-N 3.42Å; I612-A615 PolarHBondContact O-N 3.14Å; I612-Y616 VanDerWaalsContact O-CB 3.26Å; I612-Y616 WeakPolarHBondContact O-CB 3.19Å; I612-Y616 PolarHBondContact O-N 2.96Å; I612-W635 HydrophobicContact CG2-CD2 4.03Å; I612-W635 HydrophobicContact CG2-CE3 4.27Å; I612-W635 HydrophobicContact CG2-CH2 4.06Å; I612-W635 HydrophobicContact CG2-CZ2 3.8Å; I612-W635 HydrophobicContact CG2-CZ3 4.29Å; I612-L638 HydrophobicContact CG2-CB 4.07Å; I612-E639 HydrophobicContact CD1-CB 4.01Å; I612-E639 HydrophobicContact CD1-CG 4.18Å; I612-Q642 HydrophobicContact CD1-CB 4.36Å; I612-Q642 HydrophobicContact CG1-CB 4.23Å; I612-Q642 HydrophobicContact CG1-CG 4.33Å; I612-L648 HydrophobicContact CD1-CD1 3.78Å; I612-L648 HydrophobicContact CD1-CG 4.39Å
613	Y	97.9	Very high	95.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-39.7	176.3	-163.5	-74.1	0	0	0	111.1	F482 L609 A615 Y616 T617 W635 P739 L752	F482-Y613 HydrophobicContact CB-CD1 3.77Å; F482-Y613 HydrophobicContact CB-CE1 3.62Å; F482-Y613 HydrophobicContact CD1-CD1 4.49Å; F482-Y613 AromaticContact CD2-CD1 3.36Å; F482-Y613 HydrophobicContact CD2-CD1 3.36Å; F482-Y613 AromaticContact CD2-CD2 3.59Å; F482-Y613 HydrophobicContact CD2-CD2 3.59Å; F482-Y613 AromaticContact CD2-CE1 3.71Å; F482-Y613 HydrophobicContact CD2-CE1 3.71Å; F482-Y613 AromaticContact CD2-CE2 3.9Å; F482-Y613 HydrophobicContact CD2-CE2 3.9Å; F482-Y613 AromaticContact CD2-CG 3.31Å; F482-Y613 HydrophobicContact CD2-CG 3.31Å; F482-Y613 AromaticContact CD2-CZ 3.95Å; F482-Y613 HydrophobicContact CE2-CD1 4.08Å; F482-Y613 AromaticContact CE2-CD2 3.81Å; F482-Y613 HydrophobicContact CE2-CD2 3.81Å; F482-Y613 HydrophobicContact CE2-CE2 4.47Å; F482-Y613 AromaticContact CE2-CG 3.58Å; F482-Y613 HydrophobicContact CE2-CG 3.58Å; F482-Y613 AromaticContact CG-CD1 3.61Å; F482-Y613 HydrophobicContact CG-CD1 3.61Å; F482-Y613 AromaticContact CG-CE1 3.93Å; F482-Y613 HydrophobicContact CG-CE1 3.93Å; F482-Y613 HydrophobicContact CG-CG 4.01Å; F482-Y613 HydrophobicContact CZ-CG 4.47Å; L609-Y613 WeakPolarHBondContact O-CB 3.44Å; L609-Y613 PolarHBondContact O-N 3.33Å; Y613-A615 PolarHBondContact O-N 3.02Å; Y613-Y616 HydrophobicContact CD2-CD1 4.31Å; Y613-Y616 HydrophobicContact CE2-CD1 4.32Å; Y613-Y616 HydrophobicContact CE2-CE1 4.42Å; Y613-Y616 WeakPolarHBondContact O-CB 3.46Å; Y613-Y616 PolarHBondContact O-N 3.2Å; Y613-Y616 VanDerWaalsContact O-N 3.14Å; Y613-T617 HydrophobicContact CD1-CG2 4Å; Y613-T617 HydrophobicContact CE1-CG2 3.88Å; Y613-T617 WeakPolarHBondContact O-CG2 3.33Å; Y613-T617 PolarHBondContact O-N 2.66Å; Y613-W635 HydrophobicContact CD2-CH2 4.02Å; Y613-W635 AromaticContact CD2-CZ3 3.85Å; Y613-W635 HydrophobicContact CD2-CZ3 3.85Å; Y613-W635 HydrophobicContact CG-CZ3 4.43Å; Y613-P739 WeakPolarHBondContact CE2-O 3.48Å; Y613-P739 WeakPolarHBondContact OH-CD 2.88Å; Y613-P739 PolarHBondContact OH-O 3.23Å; Y613-L752 HydrophobicContact CD2-CD2 4.45Å; Y613-L752 HydrophobicContact CE2-CD2 4.26Å
614	G	97.3	Very high	95.5	Very high	19 Å²	19	32.5 Å²	32.5	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-52.8	-52.9	174.5	0	0	0	0	0	112.2	Q610 S611 I612 T617	Q610-G614 PolarHBondContact O-N 3.14Å; S611-G614 PolarHBondContact O-N 2.71Å; I612-G614 VanDerWaalsContact C-N 3.33Å; I612-G614 PolarHBondContact O-N 3.42Å; G614-T617 PolarHBondContact O-N 2.89Å; G614-T617 PolarHBondContact O-OG1 3.03Å
615	A	96.8	Very high	95.3	Very high	23 Å²	23	38.9 Å²	38.9	19%	0.19	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-35.5	174.9	0	0	0	0	0	113.1	S611 I612 Y613 T617 E618 L638	S611-A615 PolarHBondContact O-N 3.23Å; I612-A615 PolarHBondContact O-N 3.14Å; Y613-A615 PolarHBondContact O-N 3.02Å; A615-T617 PolarHBondContact O-N 2.84Å; A615-E618 WeakPolarHBondContact O-CB 3.44Å; A615-E618 WeakPolarHBondContact O-CG 3.43Å; A615-E618 PolarHBondContact O-N 2.93Å; A615-E618 VanDerWaalsContact O-N 3.12Å; A615-L638 HydrophobicContact CB-CD1 3.99Å; A615-L638 HydrophobicContact CB-CD2 3.63Å; A615-L638 HydrophobicContact CB-CG 4.44Å
616	Y	97	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-26.2	177.2	169.5	-108.8	0	0	0	113.3	I612 Y613 E618 L619 L620 P631 W635 P742	I612-Y616 VanDerWaalsContact O-CB 3.26Å; I612-Y616 WeakPolarHBondContact O-CB 3.19Å; I612-Y616 PolarHBondContact O-N 2.96Å; Y613-Y616 HydrophobicContact CD2-CD1 4.31Å; Y613-Y616 HydrophobicContact CE2-CD1 4.32Å; Y613-Y616 HydrophobicContact CE2-CE1 4.42Å; Y613-Y616 WeakPolarHBondContact O-CB 3.46Å; Y613-Y616 PolarHBondContact O-N 3.2Å; Y613-Y616 VanDerWaalsContact O-N 3.14Å; Y616-E618 PolarHBondContact O-N 2.79Å; Y616-E618 VanDerWaalsContact O-N 3.13Å; Y616-L619 HydrophobicContact CE2-CD2 4.16Å; Y616-L619 PolarHBondContact O-N 2.97Å; Y616-L619 VanDerWaalsContact O-N 3.12Å; Y616-L620 HydrophobicContact CD1-CD1 4.29Å; Y616-L620 HydrophobicContact CE1-CD1 3.59Å; Y616-L620 HydrophobicContact CE1-CG 4.29Å; Y616-P631 HydrophobicContact CE2-CB 4.16Å; Y616-W635 AromaticContact CD1-CE3 3.92Å; Y616-W635 HydrophobicContact CD1-CE3 3.92Å; Y616-W635 AromaticContact CD1-CZ3 3.78Å; Y616-W635 HydrophobicContact CD1-CZ3 3.78Å; Y616-W635 AromaticContact CD2-CE3 3.95Å; Y616-W635 HydrophobicContact CD2-CE3 3.95Å; Y616-W635 HydrophobicContact CE1-CE3 4.29Å; Y616-W635 HydrophobicContact CE1-CZ3 4.28Å; Y616-W635 HydrophobicContact CE2-CE3 4.34Å; Y616-W635 AromaticContact CG-CE3 3.73Å; Y616-W635 HydrophobicContact CG-CE3 3.73Å; Y616-W635 AromaticContact CG-CZ3 3.95Å; Y616-W635 HydrophobicContact CG-CZ3 3.95Å; Y616-P742 HydrophobicContact CE2-CG 4.27Å
617	T	96.4	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-25.3	173.2	61.7	0	0	0	0	113.4	Q475 L478 Q479 Y613 G614 A615 L619 L620 A621	Q475-T617 WeakPolarHBondContact CG-OG1 3.32Å; Q475-T617 PolarHBondContact NE2-OG1 2.85Å; L478-T617 HydrophobicContact CB-CG2 3.69Å; Q479-T617 HydrophobicContact CG-CG2 3.94Å; Q479-T617 PolarHBondContact NE2-OG1 2.57Å; Y613-T617 HydrophobicContact CD1-CG2 4Å; Y613-T617 HydrophobicContact CE1-CG2 3.88Å; Y613-T617 WeakPolarHBondContact O-CG2 3.33Å; Y613-T617 PolarHBondContact O-N 2.66Å; G614-T617 PolarHBondContact O-N 2.89Å; G614-T617 PolarHBondContact O-OG1 3.03Å; A615-T617 PolarHBondContact O-N 2.84Å; T617-L619 VanDerWaalsContact C-N 3.25Å; T617-L619 PolarHBondContact O-N 3.4Å; T617-L620 PolarHBondContact O-N 3.13Å; T617-A621 WeakPolarHBondContact O-CB 3.39Å; T617-A621 PolarHBondContact O-N 3.23Å
618	E	94.8	Very high	93.9	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-29.1	177.2	-64.9	-179.5	-160.3	0	0	113.7	K470 A615 Y616 T624	K470-E618 PolarHBondContact NZ-O 2.95Å; A615-E618 WeakPolarHBondContact O-CB 3.44Å; A615-E618 WeakPolarHBondContact O-CG 3.43Å; A615-E618 PolarHBondContact O-N 2.93Å; A615-E618 VanDerWaalsContact O-N 3.12Å; Y616-E618 PolarHBondContact O-N 2.79Å; Y616-E618 VanDerWaalsContact O-N 3.13Å; E618-T624 HydrophobicContact CG-CG2 4.48Å; E618-T624 WeakPolarHBondContact O-CB 3.26Å; E618-T624 PolarHBondContact O-OG1 2.82Å
619	L	94.8	Very high	93.6	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-72.3	-34.7	174.8	176.8	62.1	0	0	0	111.8	Y468 Y616 T617 C627 P631 Q634	Y468-L619 HydrophobicContact CD1-CD1 4.19Å; Y468-L619 HydrophobicContact CD1-CG 4.26Å; Y468-L619 HydrophobicContact CG-CD1 4.46Å; Y616-L619 HydrophobicContact CE2-CD2 4.16Å; Y616-L619 PolarHBondContact O-N 2.97Å; Y616-L619 VanDerWaalsContact O-N 3.12Å; T617-L619 VanDerWaalsContact C-N 3.25Å; T617-L619 PolarHBondContact O-N 3.4Å; L619-C627 HydrophobicContact CD1-CB 3.62Å; L619-P631 HydrophobicContact CD2-CB 4.37Å; L619-P631 HydrophobicContact CD2-CG 4.22Å; L619-Q634 HydrophobicContact CB-CG 4.32Å; L619-Q634 HydrophobicContact CD2-CB 3.84Å; L619-Q634 HydrophobicContact CD2-CG 4.19Å
620	L	95.1	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-94.3	-30.8	-167.6	-61.8	-174.6	0	0	0	113.9	Y468 L471 L478 Y616 T617 P739	Y468-L620 HydrophobicContact CE1-CD2 3.91Å; L471-L620 HydrophobicContact CD1-CB 4.24Å; L471-L620 HydrophobicContact CD1-CD1 4.4Å; L471-L620 PolarHBondContact N-O 2.97Å; L478-L620 HydrophobicContact CD1-CB 3.68Å; Y616-L620 HydrophobicContact CD1-CD1 4.29Å; Y616-L620 HydrophobicContact CE1-CD1 3.59Å; Y616-L620 HydrophobicContact CE1-CG 4.29Å; T617-L620 PolarHBondContact O-N 3.13Å; L620-P739 HydrophobicContact CD1-CB 3.67Å; L620-P739 HydrophobicContact CD1-CG 3.85Å
621	A	96.4	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.			trans	-74.8	156	-173.3	0	0	0	0	0	113.3	K470 F473 Q475 L478 T617 D623 T624	K470-A621 WeakPolarHBondContact CD-O 3.4Å; K470-A621 VanDerWaalsContact CG-O 3.26Å; K470-A621 WeakPolarHBondContact CG-O 3.35Å; K470-A621 PolarHBondContact NZ-O 3.07Å; F473-A621 WeakPolarHBondContact O-CA 3.44Å; Q475-A621 HydrophobicContact CB-CB 3.99Å; Q475-A621 HydrophobicContact CG-CB 4.47Å; L478-A621 HydrophobicContact CD1-CB 4Å; T617-A621 WeakPolarHBondContact O-CB 3.39Å; T617-A621 PolarHBondContact O-N 3.23Å; A621-D623 WeakPolarHBondContact CB-OD1 3.42Å; A621-T624 HydrophobicContact CB-CG2 4.26Å; A621-T624 PolarHBondContact O-OG1 2.74Å
622	K	94.6	Very high	93.3	Very high	104 Å²	104	40.2 Å²	40.2	45%	0.452	21%	0.213	S	C	.	.	S	Bend	trans	-83.6	-24.5	-176.4	71.8	-165.4	174.3	-166.8	0	115.1	D472 F473	D472-K622 PolarHBondContact O-NZ 3.28Å; D472-K622 WeakPolarHBondContact OD1-CD 3.45Å; D472-K622 WeakPolarHBondContact OD1-CE 3.35Å; D472-K622 IonicContact OD1-NZ 2.66Å; D472-K622 PolarHBondContact OD1-NZ 2.97Å; D472-K622 IonicContact OD2-NZ 3.38Å; F473-K622 WeakPolarHBondContact O-CG 3.5Å; F473-K622 PolarHBondContact O-N 3.37Å
623	D	95.2	Very high	93.1	Very high	92 Å²	92	42.2 Å²	42.2	49%	0.492	22%	0.223	S	C	.	.	S	Bend	trans	-85.4	-14.2	-176.8	47.9	-5.3	0	0	0	113.6	T474 Q475 A621	T474-D623 VanDerWaalsContact CA-OD2 3.27Å; T474-D623 WeakPolarHBondContact CA-OD2 3.25Å; T474-D623 VanDerWaalsContact CB-OD2 3.23Å; T474-D623 WeakPolarHBondContact CB-OD2 3.47Å; Q475-D623 PolarHBondContact N-OD1 3.04Å; Q475-D623 VanDerWaalsContact N-OD1 3.07Å; Q475-D623 PolarHBondContact N-OD2 3.33Å; A621-D623 WeakPolarHBondContact CB-OD1 3.42Å
624	T	93.3	Very high	92.9	Very high	29 Å²	29	43.1 Å²	43.1	18%	0.178	23%	0.227	C	C	.	.	S	Bend	trans	-95.6	167.7	179.3	60.2	0	0	0	0	113	K470 Q475 E618 A621	K470-T624 VanDerWaalsContact CE-O 3.24Å; K470-T624 WeakPolarHBondContact CE-O 3.44Å; K470-T624 PolarHBondContact NZ-O 3.35Å; K470-T624 PolarHBondContact NZ-OG1 2.92Å; Q475-T624 HydrophobicContact CB-CG2 4.2Å; Q475-T624 HydrophobicContact CG-CG2 4.34Å; E618-T624 HydrophobicContact CG-CG2 4.48Å; E618-T624 WeakPolarHBondContact O-CB 3.26Å; E618-T624 PolarHBondContact O-OG1 2.82Å; A621-T624 HydrophobicContact CB-CG2 4.26Å; A621-T624 PolarHBondContact O-OG1 2.74Å
625	K	88.6	Confident	92.8	Very high	184 Å²	184	42.2 Å²	42.2	80%	0.8	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-58.9	150.3	-178.5	-64.9	177.2	-178.1	173.9	0	113.2	K470	K470-K625 WeakPolarHBondContact CE-O 3.42Å; K470-K625 PolarHBondContact NZ-O 3.12Å
626	V	84.6	Confident	92.6	Very high	94 Å²	94	42.8 Å²	42.8	57%	0.57	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-75.1	140	176.4	-178.3	0	0	0	0	110.5	T467	T467-V626 HydrophobicContact CG2-CG1 3.52Å
627	C	82.3	Confident	92.4	Very high	39 Å²	39	47.4 Å²	47.4	26%	0.264	24%	0.24	S	C	.	.			trans	-131.5	144.5	-175.9	-65.9	0	0	0	0	111.7	Y468 L619	Y468-C627 PolarHBondContact N-O 3.1Å; L619-C627 HydrophobicContact CD1-CB 3.62Å
628	N	85.2	Confident	92.3	Very high	66 Å²	66	48 Å²	48	35%	0.353	24%	0.243	S	C	.	.			trans	-99.9	10.9	178.5	-59.2	4.6	0	0	0	112.3	R463 H466	R463-N628 PolarHBondContact NH1-O 3.38Å; H466-N628 WeakPolarHBondContact O-CB 3.07Å
629	V	89.8	Confident	92.2	Very high	50 Å²	50	45 Å²	45	30%	0.303	23%	0.229	S	C	.	.	S	Bend	trans	-97.2	139.6	-174.5	-176.6	0	0	0	0	109.8	E633 Q634	V629-E633 HydrophobicContact CG1-CB 3.62Å; V629-Q634 HydrophobicContact CG1-CB 3.88Å
630	L	92	Very high	91.9	Very high	22 Å²	22	48 Å²	48	12%	0.115	24%	0.244	C	C	.	.			trans	-78.6	152.9	178.6	-62.9	169.3	0	0	0	111.6	F459 Y460 R632 E633 Q634	F459-L630 HydrophobicContact CE1-CD1 3.79Å; F459-L630 HydrophobicContact CE1-CD2 4.47Å; F459-L630 HydrophobicContact CZ-CD1 4.21Å; F459-L630 HydrophobicContact CZ-CD2 4.05Å; Y460-L630 HydrophobicContact CD1-CD1 4.11Å; Y460-L630 HydrophobicContact CE1-CD1 3.65Å; L630-R632 VanDerWaalsContact C-N 3.31Å; L630-R632 PolarHBondContact O-N 2.71Å; L630-R632 VanDerWaalsContact O-N 3.15Å; L630-E633 HydrophobicContact CB-CG 4.11Å; L630-E633 WeakPolarHBondContact CB-OE2 3.4Å; L630-E633 PolarHBondContact N-OE2 3.46Å; L630-E633 WeakPolarHBondContact O-CB 3.39Å; L630-E633 PolarHBondContact O-N 3.25Å; L630-Q634 PolarHBondContact O-N 3.07Å
631	P	94.6	Very high	91.7	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.032	27%	0.269	C	S	.	.	H	α-helix	trans	-48.3	-44.2	-179.6	-33.9	37.6	0	0	0	115.7	Y468 Y616 L619 W635 P742	Y468-P631 HydrophobicContact CD2-CG 4.19Å; Y468-P631 HydrophobicContact CE1-CG 4.2Å; Y468-P631 VanDerWaalsContact CE2-CD 3.45Å; Y468-P631 HydrophobicContact CE2-CG 3.48Å; Y468-P631 VanDerWaalsContact CE2-CG 3.48Å; Y616-P631 HydrophobicContact CE2-CB 4.16Å; L619-P631 HydrophobicContact CD2-CB 4.37Å; L619-P631 HydrophobicContact CD2-CG 4.22Å; P631-W635 WeakPolarHBondContact O-CB 3.48Å; P631-W635 PolarHBondContact O-N 3.35Å; P631-P742 HydrophobicContact CB-CB 4.27Å
632	R	95	Very high	91.4	Very high	15 Å²	15	56 Å²	56	6%	0.057	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-42.4	175.9	178	-174.3	52.8	67.7	14	112.4	L630 W635 C636 W743 T744 H779 D783	L630-R632 VanDerWaalsContact C-N 3.31Å; L630-R632 PolarHBondContact O-N 2.71Å; L630-R632 VanDerWaalsContact O-N 3.15Å; R632-W635 PolarHBondContact O-N 2.95Å; R632-C636 PolarHBondContact O-N 2.96Å; R632-C636 PolarHBondContact O-SG 3.15Å; R632-W743 WeakPolarHBondContact CG-O 3.44Å; R632-T744 HydrophobicContact CG-CG2 4.25Å; R632-H779 PolarHBondContact NH1-CD2 3.21Å; R632-D783 VanDerWaalsContact CB-OD1 3.27Å; R632-D783 WeakPolarHBondContact CB-OD1 3.33Å; R632-D783 IonicContact CZ-OD1 3.56Å; R632-D783 IonicContact CZ-OD2 3.52Å; R632-D783 IonicContact NE-OD1 3.43Å; R632-D783 PolarHBondContact NE-OD1 2.81Å; R632-D783 IonicContact NE-OD2 3.58Å; R632-D783 PolarHBondContact NE-OD2 3.11Å; R632-D783 IonicContact NH2-OD1 3.54Å; R632-D783 PolarHBondContact NH2-OD1 3.47Å; R632-D783 IonicContact NH2-OD2 2.79Å; R632-D783 PolarHBondContact NH2-OD2 3.08Å
633	E	92.9	Very high	90.9	Very high	42 Å²	42	53.1 Å²	53.1	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-43	-177	-62	172.1	149.2	0	0	111	R463 V629 L630 W635 C636 K637	R463-E633 IonicContact CZ-OE1 2.69Å; R463-E633 IonicContact CZ-OE2 3.44Å; R463-E633 IonicContact NH1-OE1 3.42Å; R463-E633 PolarHBondContact NH1-OE1 2.64Å; R463-E633 IonicContact NH1-OE2 2.73Å; R463-E633 PolarHBondContact NH1-OE2 2.93Å; R463-E633 IonicContact NH2-OE1 2.85Å; R463-E633 PolarHBondContact NH2-OE1 3.01Å; R463-E633 IonicContact NH2-OE2 3.35Å; V629-E633 HydrophobicContact CG1-CB 3.62Å; L630-E633 HydrophobicContact CB-CG 4.11Å; L630-E633 WeakPolarHBondContact CB-OE2 3.4Å; L630-E633 PolarHBondContact N-OE2 3.46Å; L630-E633 WeakPolarHBondContact O-CB 3.39Å; L630-E633 PolarHBondContact O-N 3.25Å; E633-W635 VanDerWaalsContact C-N 3.34Å; E633-C636 PolarHBondContact O-N 2.92Å; E633-K637 WeakPolarHBondContact O-CB 3.43Å; E633-K637 PolarHBondContact O-N 3.44Å
634	Q	94.1	Very high	90.6	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-40.2	174	-177.7	64.9	8.9	0	0	111	L619 V629 L630 K637 L638	L619-Q634 HydrophobicContact CB-CG 4.32Å; L619-Q634 HydrophobicContact CD2-CB 3.84Å; L619-Q634 HydrophobicContact CD2-CG 4.19Å; V629-Q634 HydrophobicContact CG1-CB 3.88Å; L630-Q634 PolarHBondContact O-N 3.07Å; Q634-K637 PolarHBondContact O-N 2.83Å; Q634-L638 HydrophobicContact CG-CD1 4.06Å; Q634-L638 HydrophobicContact CG-CG 4.5Å; Q634-L638 WeakPolarHBondContact O-CB 3.5Å; Q634-L638 VanDerWaalsContact O-CG 3.27Å; Q634-L638 WeakPolarHBondContact O-CG 3.35Å; Q634-L638 PolarHBondContact O-N 3.41Å
635	W	95.5	Very high	90.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-48.6	175.5	-169.2	-76.2	0	0	0	112.3	L609 I612 Y613 Y616 P631 R632 E633 K637 L638 E639 L648 V741 P742 T744 F748	L609-W635 HydrophobicContact CD1-CH2 3.61Å; L609-W635 HydrophobicContact CD1-CZ2 3.61Å; I612-W635 HydrophobicContact CG2-CD2 4.03Å; I612-W635 HydrophobicContact CG2-CE3 4.27Å; I612-W635 HydrophobicContact CG2-CH2 4.06Å; I612-W635 HydrophobicContact CG2-CZ2 3.8Å; I612-W635 HydrophobicContact CG2-CZ3 4.29Å; Y613-W635 HydrophobicContact CD2-CH2 4.02Å; Y613-W635 AromaticContact CD2-CZ3 3.85Å; Y613-W635 HydrophobicContact CD2-CZ3 3.85Å; Y613-W635 HydrophobicContact CG-CZ3 4.43Å; Y616-W635 AromaticContact CD1-CE3 3.92Å; Y616-W635 HydrophobicContact CD1-CE3 3.92Å; Y616-W635 AromaticContact CD1-CZ3 3.78Å; Y616-W635 HydrophobicContact CD1-CZ3 3.78Å; Y616-W635 AromaticContact CD2-CE3 3.95Å; Y616-W635 HydrophobicContact CD2-CE3 3.95Å; Y616-W635 HydrophobicContact CE1-CE3 4.29Å; Y616-W635 HydrophobicContact CE1-CZ3 4.28Å; Y616-W635 HydrophobicContact CE2-CE3 4.34Å; Y616-W635 AromaticContact CG-CE3 3.73Å; Y616-W635 HydrophobicContact CG-CE3 3.73Å; Y616-W635 AromaticContact CG-CZ3 3.95Å; Y616-W635 HydrophobicContact CG-CZ3 3.95Å; P631-W635 WeakPolarHBondContact O-CB 3.48Å; P631-W635 PolarHBondContact O-N 3.35Å; R632-W635 PolarHBondContact O-N 2.95Å; E633-W635 VanDerWaalsContact C-N 3.34Å; W635-K637 VanDerWaalsContact C-N 3.3Å; W635-K637 PolarHBondContact O-N 3.11Å; W635-L638 PolarHBondContact O-N 3.3Å; W635-E639 PolarHBondContact O-N 3.43Å; W635-L648 HydrophobicContact CZ2-CD1 4.01Å; W635-V741 HydrophobicContact CH2-CG1 4.08Å; W635-V741 HydrophobicContact CH2-CG2 4.19Å; W635-V741 HydrophobicContact CZ2-CG1 3.93Å; W635-P742 HydrophobicContact CB-CG 3.7Å; W635-P742 HydrophobicContact CD2-CG 3.8Å; W635-P742 HydrophobicContact CE3-CG 3.69Å; W635-P742 HydrophobicContact CG-CG 3.81Å; W635-T744 HydrophobicContact CB-CG2 4.46Å; W635-T744 HydrophobicContact CG-CG2 4.24Å; W635-F748 HydrophobicContact CZ2-CE1 4.15Å; W635-F748 HydrophobicContact CZ2-CZ 4.17Å; W635-F748 AromaticContact NE1-CE1 3.67Å
636	C	92.4	Very high	90.8	Very high	34 Å²	34	43 Å²	43	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-38.5	176.4	-68.6	0	0	0	0	112.2	R632 E633 E639 M640	R632-C636 PolarHBondContact O-N 2.96Å; R632-C636 PolarHBondContact O-SG 3.15Å; E633-C636 PolarHBondContact O-N 2.92Å; C636-E639 PolarHBondContact O-N 3.29Å; C636-M640 WeakPolarHBondContact O-CG 3.37Å; C636-M640 PolarHBondContact O-N 2.94Å; C636-M640 VanDerWaalsContact O-N 3.14Å
637	K	92.9	Very high	91.1	Very high	98 Å²	98	39.9 Å²	39.9	43%	0.426	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-50.1	173.6	-180	-173.3	163.3	-176.1	0	111.2	E633 Q634 W635 E639 M640 E641	E633-K637 WeakPolarHBondContact O-CB 3.43Å; E633-K637 PolarHBondContact O-N 3.44Å; Q634-K637 PolarHBondContact O-N 2.83Å; W635-K637 VanDerWaalsContact C-N 3.3Å; W635-K637 PolarHBondContact O-N 3.11Å; K637-E639 VanDerWaalsContact C-N 3.33Å; K637-E639 PolarHBondContact O-N 2.83Å; K637-M640 WeakPolarHBondContact O-CB 3.19Å; K637-M640 PolarHBondContact O-N 2.91Å; K637-M640 VanDerWaalsContact O-N 3.1Å; K637-E641 WeakPolarHBondContact CE-OE1 3.29Å; K637-E641 WeakPolarHBondContact CE-OE2 3.4Å; K637-E641 HydrophobicContact CG-CG 4.48Å; K637-E641 IonicContact NZ-OE1 2.7Å; K637-E641 PolarHBondContact NZ-OE1 2.88Å; K637-E641 WeakPolarHBondContact O-CG 3.04Å; K637-E641 PolarHBondContact O-N 2.93Å
638	L	94.5	Very high	91.4	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-35.5	179.9	-71.1	169.3	0	0	0	112.7	I612 A615 Q634 W635 M640 Q642	I612-L638 HydrophobicContact CG2-CB 4.07Å; A615-L638 HydrophobicContact CB-CD1 3.99Å; A615-L638 HydrophobicContact CB-CD2 3.63Å; A615-L638 HydrophobicContact CB-CG 4.44Å; Q634-L638 HydrophobicContact CG-CD1 4.06Å; Q634-L638 HydrophobicContact CG-CG 4.5Å; Q634-L638 WeakPolarHBondContact O-CB 3.5Å; Q634-L638 VanDerWaalsContact O-CG 3.27Å; Q634-L638 WeakPolarHBondContact O-CG 3.35Å; Q634-L638 PolarHBondContact O-N 3.41Å; W635-L638 PolarHBondContact O-N 3.3Å; L638-M640 VanDerWaalsContact C-N 3.32Å; L638-Q642 WeakPolarHBondContact O-CB 3.48Å; L638-Q642 WeakPolarHBondContact O-CG 3.46Å; L638-Q642 PolarHBondContact O-N 2.99Å
639	E	91.8	Very high	91	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-28.1	174.2	-172.1	168.4	-170.9	0	0	112.9	I612 W635 C636 K637 Q642 L648	I612-E639 HydrophobicContact CD1-CB 4.01Å; I612-E639 HydrophobicContact CD1-CG 4.18Å; W635-E639 PolarHBondContact O-N 3.43Å; C636-E639 PolarHBondContact O-N 3.29Å; K637-E639 VanDerWaalsContact C-N 3.33Å; K637-E639 PolarHBondContact O-N 2.83Å; E639-Q642 CarbonylContact O-C 3.47Å; E639-L648 VanDerWaalsContact OE1-CB 3.26Å; E639-L648 WeakPolarHBondContact OE1-CB 3.39Å; E639-L648 WeakPolarHBondContact OE1-CG 3.44Å; E639-L648 PolarHBondContact OE1-N 3.21Å
640	M	88.5	Confident	89.8	Confident	68 Å²	68	38.2 Å²	38.2	34%	0.335	21%	0.21	S	C	.	.	H	α-helix	trans	-75.7	-44.1	171.4	-72.3	173.7	57.6	0	0	112.8	L444 L446 C636 K637 L638 Q642 S643	L444-M640 HydrophobicContact CB-CE 4.24Å; L444-M640 WeakPolarHBondContact O-CE 3.39Å; L446-M640 HydrophobicContact CD1-CE 4.39Å; L446-M640 HydrophobicContact CD1-SD 3.62Å; L446-M640 HydrophobicContact CD2-SD 3.79Å; L446-M640 HydrophobicContact CG-CE 4.15Å; L446-M640 HydrophobicContact CG-SD 3.46Å; L446-M640 WeakPolarHBondContact CG-SD 3.37Å; C636-M640 WeakPolarHBondContact O-CG 3.37Å; C636-M640 PolarHBondContact O-N 2.94Å; C636-M640 VanDerWaalsContact O-N 3.14Å; K637-M640 WeakPolarHBondContact O-CB 3.19Å; K637-M640 PolarHBondContact O-N 2.91Å; K637-M640 VanDerWaalsContact O-N 3.1Å; L638-M640 VanDerWaalsContact C-N 3.32Å; M640-Q642 VanDerWaalsContact C-N 3.3Å; M640-Q642 PolarHBondContact O-N 3.35Å; M640-S643 WeakPolarHBondContact O-CB 3.18Å; M640-S643 PolarHBondContact O-N 2.95Å
641	E	91.1	Very high	88.2	Confident	114 Å²	114	37.3 Å²	37.3	53%	0.533	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-41.3	176.1	-71.5	172.6	148.8	0	0	110.2	K637 S643	K637-E641 WeakPolarHBondContact CE-OE1 3.29Å; K637-E641 WeakPolarHBondContact CE-OE2 3.4Å; K637-E641 HydrophobicContact CG-CG 4.48Å; K637-E641 IonicContact NZ-OE1 2.7Å; K637-E641 PolarHBondContact NZ-OE1 2.88Å; K637-E641 WeakPolarHBondContact O-CG 3.04Å; K637-E641 PolarHBondContact O-N 2.93Å; E641-S643 VanDerWaalsContact C-N 3.27Å; E641-S643 PolarHBondContact O-N 3.32Å
642	Q	89.9	Confident	87	Confident	53 Å²	53	39.2 Å²	39.2	25%	0.248	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	51.5	173.4	-56.4	-171.6	30.9	0	0	111.8	K608 S611 I612 L638 E639 M640 S644	K608-Q642 WeakPolarHBondContact CE-O 3.37Å; K608-Q642 PolarHBondContact NZ-O 3.08Å; S611-Q642 VanDerWaalsContact CB-OE1 3.23Å; S611-Q642 PolarHBondContact O-NE2 3.46Å; S611-Q642 PolarHBondContact OG-NE2 2.65Å; S611-Q642 PolarHBondContact OG-OE1 3.06Å; I612-Q642 HydrophobicContact CD1-CB 4.36Å; I612-Q642 HydrophobicContact CG1-CB 4.23Å; I612-Q642 HydrophobicContact CG1-CG 4.33Å; L638-Q642 WeakPolarHBondContact O-CB 3.48Å; L638-Q642 WeakPolarHBondContact O-CG 3.46Å; L638-Q642 PolarHBondContact O-N 2.99Å; E639-Q642 CarbonylContact O-C 3.47Å; M640-Q642 VanDerWaalsContact C-N 3.3Å; M640-Q642 PolarHBondContact O-N 3.35Å; Q642-S644 VanDerWaalsContact C-N 3.34Å; Q642-S644 PolarHBondContact O-N 3.33Å
643	S	85.2	Confident	86.2	Confident	44 Å²	44	39 Å²	39	31%	0.308	22%	0.215	S	C	.	.			trans	-62.5	-31.5	-171.6	60.9	0	0	0	0	115.3	R426 M640 E641	R426-S643 WeakPolarHBondContact CD-O 3.37Å; R426-S643 VanDerWaalsContact CZ-O 3.32Å; R426-S643 PolarHBondContact NE-O 3.04Å; R426-S643 PolarHBondContact NH1-O 2.82Å; M640-S643 WeakPolarHBondContact O-CB 3.18Å; M640-S643 PolarHBondContact O-N 2.95Å; E641-S643 VanDerWaalsContact C-N 3.27Å; E641-S643 PolarHBondContact O-N 3.32Å
644	S	89.3	Confident	85.7	Confident	73 Å²	73	39.7 Å²	39.7	51%	0.51	23%	0.225	S	C	.	.	S	Bend	trans	-60.6	157.7	-176.6	-179.1	0	0	0	0	113.9	D427 K608 Q642	D427-S644 WeakPolarHBondContact OD1-CA 3.46Å; D427-S644 WeakPolarHBondContact OD1-CB 3.37Å; D427-S644 PolarHBondContact OD1-OG 3.24Å; K608-S644 PolarHBondContact NZ-O 3.05Å; Q642-S644 VanDerWaalsContact C-N 3.34Å; Q642-S644 PolarHBondContact O-N 3.33Å
645	G	91.8	Very high	85.5	Confident	11 Å²	11	39.2 Å²	39.2	11%	0.113	22%	0.222	C	C	.	.	S	Bend	trans	71.1	-146.6	177.4	0	0	0	0	0	114.1	Q423 R426 D427	Q423-G645 CarbonylContact O-C 3.5Å; Q423-G645 VanDerWaalsContact O-C 3.23Å; Q423-G645 WeakPolarHBondContact O-CA 3.28Å; R426-G645 WeakPolarHBondContact CB-O 2.94Å; D427-G645 PolarHBondContact OD1-N 3.07Å; D427-G645 WeakPolarHBondContact OD2-CA 3.35Å; D427-G645 PolarHBondContact OD2-N 3.07Å
646	P	92.9	Very high	85.2	Confident	8 Å²	8	39.6 Å²	39.6	5%	0.052	23%	0.225	C	C	.	.			trans	-74	160.7	-172.1	29	-34.6	0	0	0	113.8	F421 C604 I605 K608	F421-P646 WeakPolarHBondContact O-CA 3.32Å; C604-P646 WeakPolarHBondContact O-CG 3.13Å; I605-P646 HydrophobicContact CG1-CB 4.07Å; I605-P646 HydrophobicContact CG1-CG 4.24Å; K608-P646 HydrophobicContact CB-CG 4.42Å; K608-P646 HydrophobicContact CD-CG 4.12Å; K608-P646 VanDerWaalsContact CD-O 3.25Å; K608-P646 WeakPolarHBondContact CD-O 3.4Å; K608-P646 WeakPolarHBondContact CE-O 3.31Å; K608-P646 PolarHBondContact NZ-O 2.68Å
647	T	91.4	Very high	84.9	Confident	28 Å²	28	40.2 Å²	40.2	17%	0.172	22%	0.223	C	C	.	.			trans	-81.9	135.6	164.5	-45.1	0	0	0	0	109	F421 Q649	F421-T647 PolarHBondContact N-OG1 3.33Å; F421-T647 PolarHBondContact O-N 3.43Å; T647-Q649 HydrophobicContact CG2-CB 4.3Å; T647-Q649 WeakPolarHBondContact CG2-O 3.43Å
648	L	88.1	Confident	84.7	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	23%	0.228	C	C	.	.	S	Bend	trans	-73.7	-36.6	174.4	-61	-176.1	0	0	0	111.6	I605 K608 L609 I612 W635 E639 F748	I605-L648 HydrophobicContact CG2-CD2 3.9Å; K608-L648 HydrophobicContact CB-CD2 4.23Å; K608-L648 HydrophobicContact CD-CD2 4.32Å; K608-L648 HydrophobicContact CG-CD2 4.08Å; L609-L648 HydrophobicContact CB-CD2 4.43Å; I612-L648 HydrophobicContact CD1-CD1 3.78Å; I612-L648 HydrophobicContact CD1-CG 4.39Å; W635-L648 HydrophobicContact CZ2-CD1 4.01Å; E639-L648 VanDerWaalsContact OE1-CB 3.26Å; E639-L648 WeakPolarHBondContact OE1-CB 3.39Å; E639-L648 WeakPolarHBondContact OE1-CG 3.44Å; E639-L648 PolarHBondContact OE1-N 3.21Å; L648-F748 HydrophobicContact CB-CD2 4.45Å; L648-F748 HydrophobicContact CB-CE2 3.71Å; L648-F748 HydrophobicContact CB-CZ 3.87Å; L648-F748 HydrophobicContact CD1-CZ 3.99Å
649	Q	78.2	Confident	84.6	Confident	77 Å²	77	39.9 Å²	39.9	36%	0.36	23%	0.228	S	C	.	.	S	Bend	trans	-78.1	144	179.5	-169.8	-177.3	-2.7	0	0	112.9	V420 T647 A651 S745	V420-Q649 WeakPolarHBondContact CG1-O 3.36Å; T647-Q649 HydrophobicContact CG2-CB 4.3Å; T647-Q649 WeakPolarHBondContact CG2-O 3.43Å; Q649-A651 VanDerWaalsContact C-N 3.33Å; Q649-A651 PolarHBondContact O-N 3.11Å; Q649-S745 PolarHBondContact NE2-OG 3.5Å
650	G	64.2	Low	84.6	Confident	37 Å²	37	39.2 Å²	39.2	38%	0.381	23%	0.225	S	C	.	.	S	Bend	trans	76.7	3.9	157.4	0	0	0	0	0	117.5	E652	G650-E652 VanDerWaalsContact C-N 3.25Å; G650-E652 PolarHBondContact O-N 3.13Å
651	A	59.2	Low	84.9	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.033	22%	0.218	C	C	.	.			trans	-67.8	-20.2	-177.6	0	0	0	0	0	114.7	V420 R422 I605 Q649	V420-A651 HydrophobicContact CG1-CB 4.12Å; R422-A651 PolarHBondContact NH2-O 3.04Å; I605-A651 HydrophobicContact CD1-CB 3.72Å; Q649-A651 VanDerWaalsContact C-N 3.33Å; Q649-A651 PolarHBondContact O-N 3.11Å
652	E	67.9	Low	85	Confident	44 Å²	44	34.9 Å²	34.9	21%	0.206	21%	0.205	C	C	.	.			trans	-104.9	129.4	-169.3	-59.1	-179.5	157.9	0	0	112	C596 K600 G650	C596-E652 WeakPolarHBondContact CB-OE1 3.34Å; K600-E652 WeakPolarHBondContact CE-OE1 3.34Å; K600-E652 WeakPolarHBondContact CG-OE1 3.5Å; G650-E652 VanDerWaalsContact C-N 3.25Å; G650-E652 PolarHBondContact O-N 3.13Å
653	T	77.8	Confident	85.3	Confident	10 Å²	10	32.4 Å²	32.4	6%	0.061	19%	0.194	C	C	.	.			trans	-91.2	114.6	173.1	-53.5	0	0	0	0	109.5	L305 R308 E312 W655	L305-T653 HydrophobicContact CD1-CG2 3.54Å; R308-T653 HydrophobicContact CG-CG2 4.49Å; R308-T653 PolarHBondContact NE-OG1 3.17Å; R308-T653 PolarHBondContact NH2-OG1 3.14Å; E312-T653 PolarHBondContact OE1-OG1 2.78Å; E312-T653 WeakPolarHBondContact OE2-CB 3.42Å; E312-T653 PolarHBondContact OE2-OG1 3.08Å; T653-W655 PolarHBondContact O-N 3.25Å
654	S	83.8	Confident	85.9	Confident	58 Å²	58	30.3 Å²	30.3	41%	0.406	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-59.2	126.1	174.7	-63	0	0	0	0	111.6
655	W	89.6	Confident	86.2	Confident	12 Å²	12	29.4 Å²	29.4	5%	0.045	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-69.8	140.9	179.1	-75.7	10.1	0	0	0	111.7	Y553 L556 I591 Y592 Y595 T653 Y657 L659 M660 L663	Y553-W655 HydrophobicContact CD1-CH2 4.01Å; Y553-W655 AromaticContact CD1-CZ2 3.85Å; Y553-W655 HydrophobicContact CD1-CZ2 3.85Å; Y553-W655 HydrophobicContact CE1-CZ2 4.43Å; L556-W655 HydrophobicContact CD1-CH2 3.62Å; L556-W655 HydrophobicContact CD1-CZ2 3.45Å; L556-W655 VanDerWaalsContact CD1-CZ2 3.45Å; I591-W655 HydrophobicContact CG2-CH2 4.45Å; Y592-W655 HydrophobicContact CD2-CB 4.07Å; Y592-W655 AromaticContact CD2-CD1 3.83Å; Y592-W655 AromaticContact CD2-CD2 3.44Å; Y592-W655 HydrophobicContact CD2-CD2 3.44Å; Y592-W655 VanDerWaalsContact CD2-CD2 3.44Å; Y592-W655 AromaticContact CD2-CE2 3.68Å; Y592-W655 AromaticContact CD2-CE3 3.85Å; Y592-W655 HydrophobicContact CD2-CE3 3.85Å; Y592-W655 AromaticContact CD2-CG 3.54Å; Y592-W655 HydrophobicContact CD2-CG 3.54Å; Y592-W655 HydrophobicContact CD2-CZ2 4.25Å; Y592-W655 HydrophobicContact CD2-CZ3 4.38Å; Y592-W655 AromaticContact CD2-NE1 3.92Å; Y592-W655 HydrophobicContact CE2-CB 4.15Å; Y592-W655 AromaticContact CE2-CD1 3.7Å; Y592-W655 HydrophobicContact CE2-CD2 4.12Å; Y592-W655 AromaticContact CE2-CG 3.75Å; Y592-W655 HydrophobicContact CE2-CG 3.75Å; Y592-W655 HydrophobicContact CG-CD2 4.26Å; Y592-W655 HydrophobicContact CG-CE3 4.24Å; Y592-W655 HydrophobicContact CG-CG 4.49Å; Y595-W655 AromaticContact CD1-CE2 3.97Å; Y595-W655 HydrophobicContact CD1-CH2 4.45Å; Y595-W655 AromaticContact CD1-CZ2 3.56Å; Y595-W655 HydrophobicContact CD1-CZ2 3.56Å; Y595-W655 AromaticContact CE1-CZ2 3.89Å; Y595-W655 HydrophobicContact CE1-CZ2 3.89Å; Y595-W655 AromaticContact CE1-NE1 3.68Å; Y595-W655 HydrophobicContact CG-CZ2 4.06Å; T653-W655 PolarHBondContact O-N 3.25Å; W655-Y657 PolarHBondContact O-N 2.73Å; W655-L659 HydrophobicContact CB-CD2 4.09Å; W655-L659 HydrophobicContact CD2-CD2 3.85Å; W655-L659 HydrophobicContact CE3-CD2 4.1Å; W655-L659 HydrophobicContact CE3-CG 4.29Å; W655-L659 HydrophobicContact CG-CD2 3.85Å; W655-M660 HydrophobicContact CB-CG 4.17Å; W655-M660 HydrophobicContact CE3-CG 4.06Å; W655-L663 HydrophobicContact CH2-CD2 4.29Å; W655-L663 HydrophobicContact CZ3-CD2 3.69Å
656	P	88.4	Confident	86.5	Confident	8 Å²	8	30.6 Å²	30.6	5%	0.052	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-53.7	139	170.3	-23.8	30.2	0	0	0	111.8	L305 S306 V658 L659 M660	L305-P656 HydrophobicContact CB-CG 4.32Å; L305-P656 HydrophobicContact CD2-CG 3.91Å; L305-P656 HydrophobicContact CG-CG 3.84Å; S306-P656 WeakPolarHBondContact OG-CG 3.47Å; P656-V658 PolarHBondContact O-N 2.73Å; P656-V658 VanDerWaalsContact O-N 3.16Å; P656-L659 HydrophobicContact CB-CB 4.13Å; P656-L659 HydrophobicContact CG-CB 4.35Å; P656-L659 WeakPolarHBondContact O-CA 3.32Å; P656-L659 WeakPolarHBondContact O-CB 3.32Å; P656-L659 PolarHBondContact O-N 2.82Å; P656-M660 PolarHBondContact O-N 3Å
657	Y	87.7	Confident	86.7	Confident	47 Å²	47	30.2 Å²	30.2	18%	0.184	17%	0.17	C	C	.	.	H	α-helix	trans	-56.1	-34.9	176.1	177.6	-114.5	0	0	0	112.7	K581 H585 W655 M660 L661 H763	K581-Y657 WeakPolarHBondContact CE-OH 3.22Å; H585-Y657 AromaticContact CD2-CD2 3.77Å; H585-Y657 AromaticContact CD2-CE2 3.32Å; H585-Y657 WeakPolarHBondContact CD2-CE2 3.32Å; H585-Y657 AromaticContact NE2-CE2 3.85Å; W655-Y657 PolarHBondContact O-N 2.73Å; Y657-M660 HydrophobicContact CD2-CE 4.48Å; Y657-L661 HydrophobicContact CD1-CD1 4.04Å; Y657-L661 HydrophobicContact CE1-CD1 3.44Å; Y657-L661 VanDerWaalsContact CE1-CD1 3.44Å; Y657-L661 HydrophobicContact CE1-CG 4.21Å; Y657-L661 HydrophobicContact CE2-CD1 4.34Å; Y657-L661 HydrophobicContact CE2-CG 4.25Å; Y657-L661 PolarHBondContact O-N 2.85Å; Y657-L661 VanDerWaalsContact O-N 3.1Å; Y657-H763 HydrophobicContact CD2-CB 3.91Å; Y657-H763 HydrophobicContact CE1-CB 4.48Å; Y657-H763 HydrophobicContact CE2-CB 3.48Å; Y657-H763 VanDerWaalsContact CE2-CB 3.48Å
658	V	88.8	Confident	87	Confident	88 Å²	88	29.1 Å²	29.1	53%	0.533	16%	0.163	S	C	.	.	H	α-helix	trans	-66.3	-35.2	175.4	-177.6	0	0	0	0	112	P656 L661 E662	P656-V658 PolarHBondContact O-N 2.73Å; P656-V658 VanDerWaalsContact O-N 3.16Å; V658-L661 PolarHBondContact O-N 3.29Å; V658-E662 HydrophobicContact CG1-CG 4.48Å; V658-E662 PolarHBondContact O-N 3.07Å
659	L	91.3	Very high	87.4	Confident	14 Å²	14	31.1 Å²	31.1	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-46	177.4	171.6	61.9	0	0	0	111.1	C309 L550 Y553 W655 P656 L661 E662 L663	C309-L659 HydrophobicContact CB-CD2 4.11Å; L550-L659 HydrophobicContact CD2-CD1 4.21Å; Y553-L659 HydrophobicContact CD1-CD1 4.45Å; Y553-L659 HydrophobicContact CD1-CD2 4.2Å; Y553-L659 HydrophobicContact CD2-CD1 3.8Å; Y553-L659 HydrophobicContact CE1-CD1 4.21Å; Y553-L659 HydrophobicContact CE1-CD2 3.57Å; Y553-L659 HydrophobicContact CE1-CG 4.45Å; Y553-L659 HydrophobicContact CE2-CD1 3.49Å; Y553-L659 VanDerWaalsContact CE2-CD1 3.49Å; Y553-L659 HydrophobicContact CE2-CD2 4.28Å; Y553-L659 HydrophobicContact CG-CD1 4.25Å; W655-L659 HydrophobicContact CB-CD2 4.09Å; W655-L659 HydrophobicContact CD2-CD2 3.85Å; W655-L659 HydrophobicContact CE3-CD2 4.1Å; W655-L659 HydrophobicContact CE3-CG 4.29Å; W655-L659 HydrophobicContact CG-CD2 3.85Å; P656-L659 HydrophobicContact CB-CB 4.13Å; P656-L659 HydrophobicContact CG-CB 4.35Å; P656-L659 WeakPolarHBondContact O-CA 3.32Å; P656-L659 WeakPolarHBondContact O-CB 3.32Å; P656-L659 PolarHBondContact O-N 2.82Å; L659-L661 VanDerWaalsContact C-N 3.29Å; L659-L661 PolarHBondContact O-N 3.1Å; L659-E662 PolarHBondContact O-N 3.04Å; L659-L663 WeakPolarHBondContact O-CB 3.28Å; L659-L663 PolarHBondContact O-N 3.17Å
660	M	92.8	Very high	88.4	Confident	19 Å²	19	27.5 Å²	27.5	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-40.7	175.5	-68.1	-173.8	-70.6	0	0	111.4	Y592 W655 P656 Y657 G664	Y592-M660 HydrophobicContact CD1-SD 4.3Å; Y592-M660 HydrophobicContact CG-SD 4.36Å; W655-M660 HydrophobicContact CB-CG 4.17Å; W655-M660 HydrophobicContact CE3-CG 4.06Å; P656-M660 PolarHBondContact O-N 3Å; Y657-M660 HydrophobicContact CD2-CE 4.48Å; M660-G664 PolarHBondContact O-N 2.83Å
661	L	93.3	Very high	90	Very high	33 Å²	33	25.9 Å²	25.9	17%	0.173	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-46	173.8	-77.7	180	0	0	0	113.7	K581 A584 H585 Y657 V658 L659 T665	K581-L661 HydrophobicContact CG-CD2 4.18Å; K581-L661 WeakPolarHBondContact O-CD2 3.46Å; A584-L661 HydrophobicContact CB-CD2 4.4Å; H585-L661 HydrophobicContact CB-CD2 3.92Å; Y657-L661 HydrophobicContact CD1-CD1 4.04Å; Y657-L661 HydrophobicContact CE1-CD1 3.44Å; Y657-L661 VanDerWaalsContact CE1-CD1 3.44Å; Y657-L661 HydrophobicContact CE1-CG 4.21Å; Y657-L661 HydrophobicContact CE2-CD1 4.34Å; Y657-L661 HydrophobicContact CE2-CG 4.25Å; Y657-L661 PolarHBondContact O-N 2.85Å; Y657-L661 VanDerWaalsContact O-N 3.1Å; V658-L661 PolarHBondContact O-N 3.29Å; L659-L661 VanDerWaalsContact C-N 3.29Å; L659-L661 PolarHBondContact O-N 3.1Å; L661-T665 WeakPolarHBondContact O-CB 3.49Å; L661-T665 PolarHBondContact O-N 3.49Å; L661-T665 PolarHBondContact O-OG1 2.86Å
662	E	93.8	Very high	91.8	Very high	59 Å²	59	27.3 Å²	27.3	28%	0.276	15%	0.148	S	C	.	.	H	α-helix	trans	-65	-40.1	178.7	-75.6	-152.5	135.4	0	0	111.3	R52 V658 L659 F666	R52-E662 IonicContact CZ-OE1 2.68Å; R52-E662 IonicContact NE-OE1 2.74Å; R52-E662 PolarHBondContact NE-OE1 3.41Å; R52-E662 IonicContact NH2-OE1 3.88Å; R52-E662 PolarHBondContact NH2-OE1 2.93Å; R52-E662 IonicContact NH2-OE2 2.68Å; V658-E662 HydrophobicContact CG1-CG 4.48Å; V658-E662 PolarHBondContact O-N 3.07Å; L659-E662 PolarHBondContact O-N 3.04Å; E662-F666 WeakPolarHBondContact O-CB 3.13Å; E662-F666 PolarHBondContact O-N 2.75Å; E662-F666 VanDerWaalsContact O-N 3.17Å
663	L	96.2	Very high	93.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-52.3	175.6	-178.9	63.3	0	0	0	111.8	L550 L554 I591 W655 L659 T665 F666 I667	L550-L663 HydrophobicContact CD2-CB 4.43Å; L554-L663 HydrophobicContact CD2-CD1 3.7Å; L554-L663 HydrophobicContact CG-CD1 4.07Å; I591-L663 HydrophobicContact CB-CD2 4.37Å; I591-L663 HydrophobicContact CD1-CD2 4.13Å; I591-L663 HydrophobicContact CD1-CG 4.28Å; I591-L663 HydrophobicContact CG2-CD2 4Å; W655-L663 HydrophobicContact CH2-CD2 4.29Å; W655-L663 HydrophobicContact CZ3-CD2 3.69Å; L659-L663 WeakPolarHBondContact O-CB 3.28Å; L659-L663 PolarHBondContact O-N 3.17Å; L663-T665 VanDerWaalsContact C-N 3.34Å; L663-T665 PolarHBondContact O-N 3.35Å; L663-F666 WeakPolarHBondContact O-CB 3.3Å; L663-F666 PolarHBondContact O-N 3.39Å; L663-F666 VanDerWaalsContact O-N 3.14Å; L663-I667 WeakPolarHBondContact O-CG1 3.37Å; L663-I667 PolarHBondContact O-N 3.5Å; L663-I667 VanDerWaalsContact O-N 3.08Å
664	G	97.3	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-32.3	-179	0	0	0	0	0	113.6	A584 M660 F666 I667 V668	A584-G664 VanDerWaalsContact O-CA 3.3Å; A584-G664 WeakPolarHBondContact O-CA 3.36Å; M660-G664 PolarHBondContact O-N 2.83Å; G664-F666 VanDerWaalsContact C-N 3.27Å; G664-F666 PolarHBondContact O-N 2.96Å; G664-I667 PolarHBondContact O-N 3.12Å; G664-V668 WeakPolarHBondContact O-CG2 3.48Å; G664-V668 PolarHBondContact O-N 3.21Å
665	T	96.9	Very high	94.7	Very high	55 Å²	55	29 Å²	29	34%	0.337	15%	0.149	S	C	.	.	H	α-helix	trans	-63.6	-36.7	172.5	-57.2	0	0	0	0	110.9	L661 L663 V668 D669	L661-T665 WeakPolarHBondContact O-CB 3.49Å; L661-T665 PolarHBondContact O-N 3.49Å; L661-T665 PolarHBondContact O-OG1 2.86Å; L663-T665 VanDerWaalsContact C-N 3.34Å; L663-T665 PolarHBondContact O-N 3.35Å; T665-V668 PolarHBondContact O-N 2.89Å; T665-D669 WeakPolarHBondContact O-CB 3.49Å; T665-D669 PolarHBondContact O-N 2.85Å
666	F	96.9	Very high	95	Very high	35 Å²	35	32.7 Å²	32.7	15%	0.154	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-39.1	174.5	-173.2	-97.6	0	0	0	112.3	N534 L538 L550 L554 E662 L663 G664 D669 I670	N534-F666 HydrophobicContact CB-CE1 4.18Å; N534-F666 HydrophobicContact CB-CZ 3.85Å; N534-F666 WeakPolarHBondContact OD1-CZ 3.48Å; L538-F666 HydrophobicContact CD1-CE1 4.01Å; L538-F666 HydrophobicContact CD1-CE2 4.21Å; L538-F666 HydrophobicContact CD1-CZ 3.6Å; L538-F666 HydrophobicContact CG-CZ 4.43Å; L550-F666 HydrophobicContact CD1-CB 3.77Å; L550-F666 HydrophobicContact CD1-CD2 4.26Å; L550-F666 HydrophobicContact CD1-CG 3.98Å; L554-F666 HydrophobicContact CD1-CD1 3.96Å; L554-F666 HydrophobicContact CD1-CE1 3.52Å; L554-F666 HydrophobicContact CD1-CZ 4.35Å; L554-F666 HydrophobicContact CD2-CD1 4.07Å; L554-F666 HydrophobicContact CD2-CE1 4.25Å; E662-F666 WeakPolarHBondContact O-CB 3.13Å; E662-F666 PolarHBondContact O-N 2.75Å; E662-F666 VanDerWaalsContact O-N 3.17Å; L663-F666 WeakPolarHBondContact O-CB 3.3Å; L663-F666 PolarHBondContact O-N 3.39Å; L663-F666 VanDerWaalsContact O-N 3.14Å; G664-F666 VanDerWaalsContact C-N 3.27Å; G664-F666 PolarHBondContact O-N 2.96Å; F666-D669 PolarHBondContact O-N 2.92Å; F666-I670 HydrophobicContact CD1-CD1 4.02Å; F666-I670 HydrophobicContact CE1-CD1 3.66Å; F666-I670 HydrophobicContact CE1-CG1 4.44Å; F666-I670 HydrophobicContact CZ-CD1 4.36Å; F666-I670 WeakPolarHBondContact O-CG1 3.33Å; F666-I670 PolarHBondContact O-N 3.4Å; F666-I670 VanDerWaalsContact O-N 3.08Å
667	I	97.9	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-46.2	173.2	-62.1	-61.4	0	0	0	111.1	L554 Y562 M566 L587 I591 L663 G664 D669 I670 M671	L554-I667 HydrophobicContact CD2-CD1 3.88Å; Y562-I667 HydrophobicContact CD1-CD1 4.36Å; M566-I667 HydrophobicContact CG-CG2 3.41Å; M566-I667 VanDerWaalsContact CG-CG2 3.41Å; M566-I667 HydrophobicContact SD-CG2 3.77Å; L587-I667 HydrophobicContact CD1-CG2 4.2Å; L587-I667 HydrophobicContact CD2-CG2 4.3Å; I591-I667 HydrophobicContact CD1-CD1 4.4Å; I591-I667 HydrophobicContact CD1-CG1 3.97Å; L663-I667 WeakPolarHBondContact O-CG1 3.37Å; L663-I667 PolarHBondContact O-N 3.5Å; L663-I667 VanDerWaalsContact O-N 3.08Å; G664-I667 PolarHBondContact O-N 3.12Å; I667-D669 VanDerWaalsContact C-N 3.31Å; I667-D669 PolarHBondContact O-N 2.68Å; I667-I670 WeakPolarHBondContact O-CB 3.31Å; I667-I670 PolarHBondContact O-N 3.36Å; I667-M671 HydrophobicContact CG2-SD 4.17Å; I667-M671 WeakPolarHBondContact O-CG 3.29Å; I667-M671 PolarHBondContact O-N 2.97Å
668	V	97.8	Very high	95.6	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-39.7	175	173.9	0	0	0	0	112	L580 L583 L587 G664 T665 M671 V672 I709	L580-V668 HydrophobicContact CD1-CB 4.27Å; L580-V668 HydrophobicContact CD1-CG1 3.73Å; L580-V668 HydrophobicContact CD1-CG2 4.43Å; L583-V668 HydrophobicContact CD2-CG2 4.02Å; L583-V668 HydrophobicContact CG-CG2 4.02Å; L587-V668 HydrophobicContact CD1-CG2 3.43Å; L587-V668 VanDerWaalsContact CD1-CG2 3.43Å; G664-V668 WeakPolarHBondContact O-CG2 3.48Å; G664-V668 PolarHBondContact O-N 3.21Å; T665-V668 PolarHBondContact O-N 2.89Å; V668-M671 WeakPolarHBondContact O-CB 3.37Å; V668-M671 PolarHBondContact O-N 3.43Å; V668-V672 HydrophobicContact CG1-CG2 4.07Å; V668-V672 WeakPolarHBondContact O-CB 3.49Å; V668-V672 WeakPolarHBondContact O-CG2 3.44Å; V668-V672 PolarHBondContact O-N 3.28Å; V668-I709 HydrophobicContact CG1-CD1 3.9Å; V668-I709 HydrophobicContact CG1-CG1 3.74Å
669	D	96.7	Very high	95.7	Very high	49 Å²	49	28.7 Å²	28.7	26%	0.262	15%	0.146	S	C	.	.	H	α-helix	trans	-64.3	-38.2	177	-179.9	65.8	0	0	0	112.2	T665 F666 I667 K673	T665-D669 WeakPolarHBondContact O-CB 3.49Å; T665-D669 PolarHBondContact O-N 2.85Å; F666-D669 PolarHBondContact O-N 2.92Å; I667-D669 VanDerWaalsContact C-N 3.31Å; I667-D669 PolarHBondContact O-N 2.68Å; D669-K673 WeakPolarHBondContact O-CB 3.47Å; D669-K673 WeakPolarHBondContact O-CD 3.25Å; D669-K673 VanDerWaalsContact O-CG 3.29Å; D669-K673 WeakPolarHBondContact O-CG 3.48Å; D669-K673 PolarHBondContact O-N 3.27Å; D669-K673 WeakPolarHBondContact OD1-CE 3.44Å; D669-K673 IonicContact OD1-NZ 3.67Å; D669-K673 PolarHBondContact OD1-NZ 2.8Å; D669-K673 IonicContact OD2-NZ 2.75Å; D669-K673 PolarHBondContact OD2-NZ 3.44Å
670	I	97.6	Very high	95.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-46.8	169.7	-68.1	172.6	0	0	0	110.5	L527 A530 L531 N534 M566 F666 I667 N674	L527-I670 HydrophobicContact CD2-CG2 3.96Å; A530-I670 HydrophobicContact CB-CG2 4.18Å; L531-I670 HydrophobicContact CD1-CD1 4.22Å; N534-I670 HydrophobicContact CB-CD1 4.22Å; M566-I670 HydrophobicContact CE-CG2 4.49Å; M566-I670 HydrophobicContact SD-CG2 4.15Å; F666-I670 HydrophobicContact CD1-CD1 4.02Å; F666-I670 HydrophobicContact CE1-CD1 3.66Å; F666-I670 HydrophobicContact CE1-CG1 4.44Å; F666-I670 HydrophobicContact CZ-CD1 4.36Å; F666-I670 WeakPolarHBondContact O-CG1 3.33Å; F666-I670 PolarHBondContact O-N 3.4Å; F666-I670 VanDerWaalsContact O-N 3.08Å; I667-I670 WeakPolarHBondContact O-CB 3.31Å; I667-I670 PolarHBondContact O-N 3.36Å; I670-N674 WeakPolarHBondContact O-CB 3.42Å; I670-N674 PolarHBondContact O-N 3.27Å; I670-N674 PolarHBondContact O-ND2 3Å
671	M	97.9	Very high	95.5	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-53.5	179.3	-64.3	165.5	73.6	0	0	111.7	M566 V570 L587 I667 V668 K673 N674 L675 L694	M566-M671 HydrophobicContact CB-CE 4.36Å; M566-M671 HydrophobicContact CB-CG 3.98Å; M566-M671 HydrophobicContact CB-SD 4.1Å; M566-M671 HydrophobicContact CG-CG 3.61Å; M566-M671 HydrophobicContact CG-SD 3.74Å; M566-M671 WeakPolarHBondContact O-CE 3.29Å; M566-M671 HydrophobicContact SD-CG 3.49Å; M566-M671 WeakPolarHBondContact SD-CG 3.19Å; M566-M671 HydrophobicContact SD-SD 4.36Å; V570-M671 HydrophobicContact CG2-CE 3.72Å; L587-M671 HydrophobicContact CD1-SD 3.98Å; I667-M671 HydrophobicContact CG2-SD 4.17Å; I667-M671 WeakPolarHBondContact O-CG 3.29Å; I667-M671 PolarHBondContact O-N 2.97Å; V668-M671 WeakPolarHBondContact O-CB 3.37Å; V668-M671 PolarHBondContact O-N 3.43Å; M671-K673 VanDerWaalsContact C-N 3.33Å; M671-K673 PolarHBondContact O-N 3.02Å; M671-N674 PolarHBondContact O-N 3.24Å; M671-L675 HydrophobicContact CB-CD1 3.89Å; M671-L675 HydrophobicContact CG-CD1 4.39Å; M671-L675 VanDerWaalsContact O-CB 3.26Å; M671-L675 WeakPolarHBondContact O-CB 3.42Å; M671-L675 VanDerWaalsContact O-CG 3.27Å; M671-L675 WeakPolarHBondContact O-CG 3.47Å; M671-L675 PolarHBondContact O-N 3.02Å; M671-L694 HydrophobicContact CB-CD1 3.93Å; M671-L694 HydrophobicContact CE-CD1 4.11Å
672	V	96.7	Very high	95.3	Very high	34 Å²	34	30.8 Å²	30.8	21%	0.206	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-33.7	-175.7	171.2	0	0	0	0	112.7	V668 L694 I709	V668-V672 HydrophobicContact CG1-CG2 4.07Å; V668-V672 WeakPolarHBondContact O-CB 3.49Å; V668-V672 WeakPolarHBondContact O-CG2 3.44Å; V668-V672 PolarHBondContact O-N 3.28Å; V672-L694 HydrophobicContact CG2-CB 3.95Å; V672-L694 HydrophobicContact CG2-CD1 4.43Å; V672-I709 HydrophobicContact CG2-CD1 4.08Å; V672-I709 HydrophobicContact CG2-CG2 4.41Å
673	K	96.5	Very high	95	Very high	101 Å²	101	31 Å²	31	44%	0.439	16%	0.16	S	C	.	.	H	α-helix	trans	-76.5	-34.4	179.3	-75.6	170.6	176	163.9	0	114	D669 M671 K676	D669-K673 WeakPolarHBondContact O-CB 3.47Å; D669-K673 WeakPolarHBondContact O-CD 3.25Å; D669-K673 VanDerWaalsContact O-CG 3.29Å; D669-K673 WeakPolarHBondContact O-CG 3.48Å; D669-K673 PolarHBondContact O-N 3.27Å; D669-K673 WeakPolarHBondContact OD1-CE 3.44Å; D669-K673 IonicContact OD1-NZ 3.67Å; D669-K673 PolarHBondContact OD1-NZ 2.8Å; D669-K673 IonicContact OD2-NZ 2.75Å; D669-K673 PolarHBondContact OD2-NZ 3.44Å; M671-K673 VanDerWaalsContact C-N 3.33Å; M671-K673 PolarHBondContact O-N 3.02Å; K673-K676 VanDerWaalsContact O-CE 3.28Å; K673-K676 WeakPolarHBondContact O-CE 3.49Å
674	N	97.3	Very high	94.4	Very high	47 Å²	47	36.9 Å²	36.9	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-109.2	-29.3	-164.4	-63	-70.7	0	0	0	113.9	V526 L527 A530 I670 M671 K676	V526-N674 HydrophobicContact CG1-CB 3.93Å; L527-N674 HydrophobicContact CD2-CB 4.46Å; A530-N674 HydrophobicContact CB-CB 4.36Å; I670-N674 WeakPolarHBondContact O-CB 3.42Å; I670-N674 PolarHBondContact O-N 3.27Å; I670-N674 PolarHBondContact O-ND2 3Å; M671-N674 PolarHBondContact O-N 3.24Å; N674-K676 PolarHBondContact O-N 3.19Å
675	L	97	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.			trans	-73.7	110.8	178	-63.8	176.1	0	0	0	110.9	W523 L527 V570 M671 P692 I693 L694	W523-L675 HydrophobicContact CB-CD2 3.53Å; W523-L675 HydrophobicContact CD2-CD2 3.95Å; W523-L675 HydrophobicContact CE3-CD2 4.47Å; W523-L675 HydrophobicContact CG-CD2 3.51Å; L527-L675 HydrophobicContact CD1-CD2 3.91Å; L527-L675 HydrophobicContact CD2-CD2 4Å; L527-L675 HydrophobicContact CD2-CG 4.13Å; L527-L675 HydrophobicContact CG-CD2 3.87Å; V570-L675 HydrophobicContact CG2-CD1 3.57Å; M671-L675 HydrophobicContact CB-CD1 3.89Å; M671-L675 HydrophobicContact CG-CD1 4.39Å; M671-L675 VanDerWaalsContact O-CB 3.26Å; M671-L675 WeakPolarHBondContact O-CB 3.42Å; M671-L675 VanDerWaalsContact O-CG 3.27Å; M671-L675 WeakPolarHBondContact O-CG 3.47Å; M671-L675 PolarHBondContact O-N 3.02Å; L675-P692 WeakPolarHBondContact O-CA 3.28Å; L675-I693 HydrophobicContact CB-CG2 3.58Å; L675-I693 HydrophobicContact CD1-CG2 4.36Å; L675-I693 PolarHBondContact O-N 3.48Å; L675-L694 HydrophobicContact CD1-CD1 3.92Å; L675-L694 HydrophobicContact CD1-CG 4.42Å
676	K	95.9	Very high	93.2	Very high	88 Å²	88	45.4 Å²	45.4	38%	0.383	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.1	-177.3	-64.3	171.2	-172	166.5	0	110.6	W523 K673 N674 L690 I691	W523-K676 PolarHBondContact NE1-O 3.23Å; K673-K676 VanDerWaalsContact O-CE 3.28Å; K673-K676 WeakPolarHBondContact O-CE 3.49Å; N674-K676 PolarHBondContact O-N 3.19Å; K676-L690 HydrophobicContact CB-CB 4.46Å; K676-L690 HydrophobicContact CB-CD2 4.21Å; K676-L690 HydrophobicContact CD-CB 4.46Å; K676-I691 CarbonylContact C-O 3.56Å; K676-I691 WeakPolarHBondContact CA-O 3.46Å; K676-I691 WeakPolarHBondContact CB-O 3.38Å
677	I	94.6	Very high	92.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160.7	175.1	-161.9	155.1	0	0	0	109.1	Q519 W523 I681 L690 I691 I693 I714 M718	Q519-I677 HydrophobicContact CG-CD1 4.13Å; Q519-I677 HydrophobicContact CG-CG1 4.48Å; W523-I677 HydrophobicContact CZ2-CD1 4.3Å; I677-I681 HydrophobicContact CD1-CD1 3.95Å; I677-I681 HydrophobicContact CD1-CG2 4.03Å; I677-I681 HydrophobicContact CG1-CD1 3.94Å; I677-I681 HydrophobicContact CG1-CG2 4.02Å; I677-L690 CarbonylContact O-C 3.49Å; I677-L690 WeakPolarHBondContact O-CA 3.38Å; I677-I691 HydrophobicContact CG2-CD1 4.25Å; I677-I691 HydrophobicContact CG2-CG1 3.8Å; I677-I691 PolarHBondContact N-O 2.93Å; I677-I691 WeakPolarHBondContact O-CG1 3.37Å; I677-I691 PolarHBondContact O-N 3.12Å; I677-I693 HydrophobicContact CB-CD1 3.81Å; I677-I693 HydrophobicContact CD1-CD1 4.05Å; I677-I693 HydrophobicContact CG2-CD1 3.36Å; I677-I714 HydrophobicContact CD1-CG2 3.91Å; I677-M718 HydrophobicContact CD1-CE 4.46Å; I677-M718 HydrophobicContact CD1-SD 3.72Å
678	N	93.5	Very high	92.3	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.4	170.7	-51.5	-64.3	0	0	0	110.5	D680 I681 K689 L690	N678-D680 VanDerWaalsContact C-N 3.29Å; N678-D680 WeakPolarHBondContact CB-OD1 3.34Å; N678-D680 PolarHBondContact O-N 3.39Å; N678-I681 WeakPolarHBondContact O-CB 3.47Å; N678-I681 WeakPolarHBondContact O-CG2 3.39Å; N678-I681 PolarHBondContact O-N 3.49Å; N678-K689 CarbonylContact C-O 3.6Å; N678-K689 WeakPolarHBondContact CA-O 3.32Å; N678-L690 WeakPolarHBondContact OD1-CD2 3.15Å
679	S	91.3	Very high	92	Very high	23 Å²	23	64.5 Å²	64.5	16%	0.161	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.8	-179.3	34.7	0	0	0	0	115	D687 K689	S679-D687 PolarHBondContact OG-O 3.44Å; S679-K689 PolarHBondContact N-O 2.92Å; S679-K689 WeakPolarHBondContact OG-CB 3.49Å; S679-K689 PolarHBondContact OG-N 3.18Å; S679-K689 PolarHBondContact OG-O 2.9Å; S679-K689 VanDerWaalsContact OG-O 3.1Å
680	D	90.6	Very high	91.8	Very high	32 Å²	32	66.9 Å²	66.9	17%	0.171	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.2	179.3	55.8	-47.3	0	0	0	114	N678 L682 N683 K688	N678-D680 VanDerWaalsContact C-N 3.29Å; N678-D680 WeakPolarHBondContact CB-OD1 3.34Å; N678-D680 PolarHBondContact O-N 3.39Å; D680-L682 VanDerWaalsContact C-N 3.26Å; D680-L682 PolarHBondContact O-N 2.94Å; D680-N683 WeakPolarHBondContact CA-O 3.46Å; D680-N683 CarbonylContact O-C 3.16Å; D680-N683 PolarHBondContact O-N 3.05Å; D680-K688 WeakPolarHBondContact OD1-CA 3.4Å; D680-K688 WeakPolarHBondContact OD1-CG 3.28Å; D680-K688 WeakPolarHBondContact OD2-CD 3.31Å
681	I	90.5	Very high	91.7	Very high	32 Å²	32	68.3 Å²	68.3	16%	0.164	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.2	-167	-159.7	176	0	0	0	114.9	L515 Q519 I677 N678 I714 M718	L515-I681 HydrophobicContact CD2-CD1 4.25Å; L515-I681 HydrophobicContact CD2-CG1 4.21Å; Q519-I681 HydrophobicContact CG-CD1 3.94Å; I677-I681 HydrophobicContact CD1-CD1 3.95Å; I677-I681 HydrophobicContact CD1-CG2 4.03Å; I677-I681 HydrophobicContact CG1-CD1 3.94Å; I677-I681 HydrophobicContact CG1-CG2 4.02Å; N678-I681 WeakPolarHBondContact O-CB 3.47Å; N678-I681 WeakPolarHBondContact O-CG2 3.39Å; N678-I681 PolarHBondContact O-N 3.49Å; I681-I714 HydrophobicContact CG2-CG2 3.75Å; I681-M718 HydrophobicContact CD1-CE 4.27Å
682	L	89.2	Confident	91.6	Very high	46 Å²	46	70.4 Å²	70.4	24%	0.241	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-15.4	175	-58.3	-172.6	0	0	0	113.6	M512 D680 I714 Q717 M718	M512-L682 HydrophobicContact CE-CD2 3.79Å; M512-L682 HydrophobicContact SD-CD2 3.75Å; D680-L682 VanDerWaalsContact C-N 3.26Å; D680-L682 PolarHBondContact O-N 2.94Å; L682-I714 HydrophobicContact CD1-CB 4.31Å; L682-I714 HydrophobicContact CD1-CG1 4.29Å; L682-I714 HydrophobicContact CD1-CG2 3.89Å; L682-I714 HydrophobicContact CG-CG2 4.03Å; L682-Q717 HydrophobicContact CD1-CB 4.14Å; L682-Q717 HydrophobicContact CD1-CG 4.02Å; L682-M718 HydrophobicContact CD1-CG 4.25Å; L682-M718 HydrophobicContact CD2-CG 3.83Å; L682-M718 HydrophobicContact CD2-SD 4.41Å; L682-M718 HydrophobicContact CG-CG 4.46Å
683	N	86.4	Confident	91.5	Very high	64 Å²	64	68.8 Å²	68.8	34%	0.342	36%	0.356	S	S	.	.			trans	-151	101.7	-176.8	-179.4	6.5	0	0	0	110.4	D680 A685 Y686	D680-N683 WeakPolarHBondContact CA-O 3.46Å; D680-N683 CarbonylContact O-C 3.16Å; D680-N683 PolarHBondContact O-N 3.05Å; N683-A685 PolarHBondContact O-N 2.94Å; N683-A685 VanDerWaalsContact OD1-CB 3.32Å; N683-A685 WeakPolarHBondContact OD1-CB 3.29Å; N683-A685 PolarHBondContact OD1-N 2.96Å; N683-A685 VanDerWaalsContact OD1-N 3.1Å; N683-Y686 HydrophobicContact CB-CD2 3.82Å; N683-Y686 HydrophobicContact CB-CE2 3.87Å; N683-Y686 WeakPolarHBondContact ND2-CE2 3.35Å; N683-Y686 PolarHBondContact O-N 3.28Å
684	P	84.5	Confident	91.5	Very high	123 Å²	123	64.1 Å²	64.1	80%	0.799	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-6.3	179	-25.6	35.8	0	0	0	115.9	Y686	P684-Y686 VanDerWaalsContact C-N 3.27Å
685	A	83.4	Confident	91.4	Very high	86 Å²	86	65.9 Å²	65.9	71%	0.711	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.5	174	0	0	0	0	0	113.9	N683	N683-A685 PolarHBondContact O-N 2.94Å; N683-A685 VanDerWaalsContact OD1-CB 3.32Å; N683-A685 WeakPolarHBondContact OD1-CB 3.29Å; N683-A685 PolarHBondContact OD1-N 2.96Å; N683-A685 VanDerWaalsContact OD1-N 3.1Å
686	Y	84.7	Confident	91.2	Very high	148 Å²	148	69 Å²	69	58%	0.58	35%	0.354	S	S	*	.	S	Bend	trans	-94.3	151.1	171.7	-65.3	-51.2	0	0	0	112.1	N683 P684 K688	N683-Y686 HydrophobicContact CB-CD2 3.82Å; N683-Y686 HydrophobicContact CB-CE2 3.87Å; N683-Y686 WeakPolarHBondContact ND2-CE2 3.35Å; N683-Y686 PolarHBondContact O-N 3.28Å; P684-Y686 VanDerWaalsContact C-N 3.27Å; Y686-K688 PolarHBondContact O-N 3.31Å
687	D	85.1	Confident	91	Very high	143 Å²	143	69.3 Å²	69.3	77%	0.765	36%	0.358	S	S	*	.			trans	-57.5	136.3	171.1	-65.6	-42.3	0	0	0	111.4	S679 K689	S679-D687 PolarHBondContact OG-O 3.44Å; D687-K689 PolarHBondContact O-N 2.66Å; D687-K689 VanDerWaalsContact O-N 3.08Å
688	K	90.6	Very high	90.7	Very high	158 Å²	158	74.8 Å²	74.8	69%	0.687	38%	0.38	S	S	*	.			trans	-72.5	99.3	176.8	-177.9	160.6	-168.2	156.7	0	111.7	D680 Y686	D680-K688 WeakPolarHBondContact OD1-CA 3.4Å; D680-K688 WeakPolarHBondContact OD1-CG 3.28Å; D680-K688 WeakPolarHBondContact OD2-CD 3.31Å; Y686-K688 PolarHBondContact O-N 3.31Å
689	K	92	Very high	90.2	Very high	140 Å²	140	75.7 Å²	75.7	61%	0.609	39%	0.386	S	S	*	.			trans	-141	133.3	-174.9	-176.7	177.4	-178.7	175.4	0	112	N678 S679 D687 I691	N678-K689 CarbonylContact C-O 3.6Å; N678-K689 WeakPolarHBondContact CA-O 3.32Å; S679-K689 PolarHBondContact N-O 2.92Å; S679-K689 WeakPolarHBondContact OG-CB 3.49Å; S679-K689 PolarHBondContact OG-N 3.18Å; S679-K689 PolarHBondContact OG-O 2.9Å; S679-K689 VanDerWaalsContact OG-O 3.1Å; D687-K689 PolarHBondContact O-N 2.66Å; D687-K689 VanDerWaalsContact O-N 3.08Å; K689-I691 HydrophobicContact CG-CG2 4.49Å; K689-I691 PolarHBondContact O-N 3.41Å
690	L	93.4	Very high	89.7	Confident	99 Å²	99	76.9 Å²	76.9	52%	0.518	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.5	173.2	-75.1	169.5	0	0	0	111	K676 I677 N678	K676-L690 HydrophobicContact CB-CB 4.46Å; K676-L690 HydrophobicContact CB-CD2 4.21Å; K676-L690 HydrophobicContact CD-CB 4.46Å; I677-L690 CarbonylContact O-C 3.49Å; I677-L690 WeakPolarHBondContact O-CA 3.38Å; N678-L690 WeakPolarHBondContact OD1-CD2 3.15Å
691	I	94.4	Very high	88.9	Confident	30 Å²	30	83 Å²	83	15%	0.154	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.4	176.4	60	171.2	0	0	0	110.7	K676 I677 K689 H712 I714	K676-I691 CarbonylContact C-O 3.56Å; K676-I691 WeakPolarHBondContact CA-O 3.46Å; K676-I691 WeakPolarHBondContact CB-O 3.38Å; I677-I691 HydrophobicContact CG2-CD1 4.25Å; I677-I691 HydrophobicContact CG2-CG1 3.8Å; I677-I691 PolarHBondContact N-O 2.93Å; I677-I691 WeakPolarHBondContact O-CG1 3.37Å; I677-I691 PolarHBondContact O-N 3.12Å; K689-I691 HydrophobicContact CG-CG2 4.49Å; K689-I691 PolarHBondContact O-N 3.41Å; I691-H712 WeakPolarHBondContact CD1-CE1 3.39Å; I691-I714 HydrophobicContact CD1-CD1 4.3Å
692	P	95.4	Very high	88.4	Confident	47 Å²	47	87 Å²	87	31%	0.305	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	142.3	174.7	-20.7	33.1	0	0	0	112	L675 Y695	L675-P692 WeakPolarHBondContact O-CA 3.28Å; P692-Y695 HydrophobicContact CB-CE1 4.46Å; P692-Y695 VanDerWaalsContact O-CE2 3.24Å; P692-Y695 WeakPolarHBondContact O-CE2 3.41Å; P692-Y695 PolarHBondContact O-OH 3.17Å
693	I	95.8	Very high	88.1	Confident	0 Å²	0	90.7 Å²	90.7	0%	0	47%	0.465	C	S	.	.	S	Bend	trans	-90.1	-16	175	-149.3	74.3	0	0	0	113.3	W523 L675 I677 P711 H712 L715	W523-I693 HydrophobicContact CH2-CG1 4.21Å; W523-I693 HydrophobicContact CZ2-CB 4.41Å; W523-I693 HydrophobicContact CZ2-CG1 4.23Å; W523-I693 HydrophobicContact CZ2-CG2 4.38Å; L675-I693 HydrophobicContact CB-CG2 3.58Å; L675-I693 HydrophobicContact CD1-CG2 4.36Å; L675-I693 PolarHBondContact O-N 3.48Å; I677-I693 HydrophobicContact CB-CD1 3.81Å; I677-I693 HydrophobicContact CD1-CD1 4.05Å; I677-I693 HydrophobicContact CG2-CD1 3.36Å; I693-P711 CarbonylContact O-C 3.52Å; I693-P711 WeakPolarHBondContact O-CA 3.36Å; I693-H712 HydrophobicContact CD1-CB 3.87Å; I693-H712 HydrophobicContact CG1-CB 4.3Å; I693-H712 PolarHBondContact O-N 3.47Å; I693-L715 HydrophobicContact CD1-CB 3.68Å; I693-L715 HydrophobicContact CG1-CB 3.54Å; I693-L715 HydrophobicContact CG1-CD2 3.7Å; I693-L715 HydrophobicContact CG1-CG 4.2Å; I693-L715 HydrophobicContact CG2-CD2 4.45Å
694	L	96.6	Very high	88	Confident	3 Å²	3	96.7 Å²	96.7	2%	0.016	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.8	177.2	-60.7	-178.4	0	0	0	110.5	V570 L573 M671 V672 L675 I709	V570-L694 HydrophobicContact CG2-CD1 4.44Å; L573-L694 HydrophobicContact CD2-CD2 3.59Å; M671-L694 HydrophobicContact CB-CD1 3.93Å; M671-L694 HydrophobicContact CE-CD1 4.11Å; V672-L694 HydrophobicContact CG2-CB 3.95Å; V672-L694 HydrophobicContact CG2-CD1 4.43Å; L675-L694 HydrophobicContact CD1-CD1 3.92Å; L675-L694 HydrophobicContact CD1-CG 4.42Å; L694-I709 HydrophobicContact CB-CG2 4.11Å; L694-I709 HydrophobicContact CD1-CG2 4.23Å; L694-I709 HydrophobicContact CD2-CG2 4.31Å; L694-I709 HydrophobicContact CG-CG2 4.46Å
695	Y	94.1	Very high	88.1	Confident	84 Å²	84	95.9 Å²	95.9	33%	0.329	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.6	179.2	-64.1	-94.8	0	0	0	111	P692 M697 I709 K710 H712	P692-Y695 HydrophobicContact CB-CE1 4.46Å; P692-Y695 VanDerWaalsContact O-CE2 3.24Å; P692-Y695 WeakPolarHBondContact O-CE2 3.41Å; P692-Y695 PolarHBondContact O-OH 3.17Å; Y695-M697 PolarHBondContact O-N 2.8Å; Y695-I709 WeakPolarHBondContact O-CA 3.45Å; Y695-K710 PolarHBondContact N-O 3.24Å; Y695-K710 PolarHBondContact O-N 2.85Å; Y695-H712 HydrophobicContact CE2-CB 3.93Å; Y695-H712 AromaticContact CE2-CD2 3.61Å; Y695-H712 AromaticContact CZ-CD2 3.99Å
696	H	93.9	Very high	88.3	Confident	65 Å²	65	93.7 Å²	93.7	30%	0.301	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.1	165.6	-176.5	-149.1	0	0	0	109.6	Y698 G707 F708 I709	H696-Y698 AromaticContact CE1-CE1 3.74Å; H696-Y698 AromaticContact CE1-CE2 4Å; H696-Y698 AromaticContact CE1-CZ 3.41Å; H696-Y698 VanDerWaalsContact CE1-CZ 3.41Å; H696-Y698 PolarHBondContact CE1-OH 3.29Å; H696-Y698 AromaticContact NE2-CE1 3.88Å; H696-Y698 AromaticContact NE2-CZ 3.99Å; H696-G707 WeakPolarHBondContact NE2-CA 3.38Å; H696-F708 WeakPolarHBondContact CA-O 3.48Å; H696-F708 PolarHBondContact CD2-O 3.26Å; H696-I709 HydrophobicContact CB-CD1 3.77Å
697	M	90.8	Very high	88.6	Confident	96 Å²	96	87.3 Å²	87.3	47%	0.473	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.4	178	-57.9	-172.6	75.4	0	0	110.2	Y695 G707 F708 K710	Y695-M697 PolarHBondContact O-N 2.8Å; M697-G707 CarbonylContact O-C 3.58Å; M697-G707 WeakPolarHBondContact O-CA 3.35Å; M697-F708 PolarHBondContact N-O 3.47Å; M697-F708 PolarHBondContact O-N 3.18Å; M697-K710 HydrophobicContact SD-CB 4.09Å; M697-K710 HydrophobicContact SD-CD 3.82Å
698	Y	88.9	Confident	89	Confident	114 Å²	114	81.2 Å²	81.2	45%	0.447	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.6	171.3	-67.6	-78.8	0	0	0	110.4	Q51 H696 Q705 V706	Q51-Y698 PolarHBondContact NE2-OH 3.2Å; H696-Y698 AromaticContact CE1-CE1 3.74Å; H696-Y698 AromaticContact CE1-CE2 4Å; H696-Y698 AromaticContact CE1-CZ 3.41Å; H696-Y698 VanDerWaalsContact CE1-CZ 3.41Å; H696-Y698 PolarHBondContact CE1-OH 3.29Å; H696-Y698 AromaticContact NE2-CE1 3.88Å; H696-Y698 AromaticContact NE2-CZ 3.99Å; Y698-Q705 HydrophobicContact CD1-CG 3.93Å; Y698-Q705 HydrophobicContact CG-CG 4.17Å; Y698-V706 WeakPolarHBondContact CA-O 3.32Å
699	T	82.3	Confident	89.3	Confident	56 Å²	56	73.8 Å²	73.8	34%	0.344	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.2	170.7	66.6	0	0	0	0	110.5	V706 F708	T699-V706 PolarHBondContact N-O 3.47Å; T699-V706 PolarHBondContact O-N 3.4Å; T699-F708 HydrophobicContact CG2-CD2 4.33Å; T699-F708 WeakPolarHBondContact OG1-CD2 3.45Å; T699-F708 WeakPolarHBondContact OG1-CE2 3.19Å
700	F	81.4	Confident	89.4	Confident	48 Å²	48	70.8 Å²	70.8	21%	0.211	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.6	172.1	-75.7	-87.6	0	0	0	110	V78 R704 Q705	V78-F700 HydrophobicContact CG1-CE1 3.97Å; V78-F700 HydrophobicContact CG1-CZ 4.22Å; F700-R704 WeakPolarHBondContact CA-O 3.46Å; F700-Q705 HydrophobicContact CD1-CB 4.16Å; F700-Q705 HydrophobicContact CE1-CB 3.84Å; F700-Q705 HydrophobicContact CE1-CG 4.39Å; F700-Q705 HydrophobicContact CE2-CG 4.49Å; F700-Q705 HydrophobicContact CZ-CB 4.18Å; F700-Q705 HydrophobicContact CZ-CG 4.25Å
701	R	74.3	Confident	89.5	Confident	161 Å²	161	66.3 Å²	66.3	61%	0.608	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	110	166.7	-71.8	-167.5	176.4	-168.8	2.4	108.3	T703 R704 V706	R701-T703 PolarHBondContact O-N 3.21Å; R701-R704 PolarHBondContact N-O 2.89Å; R701-R704 PolarHBondContact O-N 3.16Å; R701-R704 VanDerWaalsContact O-N 3.14Å; R701-V706 HydrophobicContact CB-CG2 4.41Å
702	S	78.8	Confident	89.5	Confident	116 Å²	116	66.8 Å²	66.8	81%	0.811	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	-115.1	-166	69	0	0	0	0	111.7
703	T	84.4	Confident	89.3	Confident	123 Å²	123	68.6 Å²	68.6	76%	0.755	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.9	178.4	54.9	0	0	0	0	114.1	R701	R701-T703 PolarHBondContact O-N 3.21Å
704	R	82.4	Confident	89.2	Confident	191 Å²	191	69.6 Å²	69.6	72%	0.721	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.3	-175.3	-65.5	-174.8	178.9	-173	-1.1	111.3	F700 R701	F700-R704 WeakPolarHBondContact CA-O 3.46Å; R701-R704 PolarHBondContact N-O 2.89Å; R701-R704 PolarHBondContact O-N 3.16Å; R701-R704 VanDerWaalsContact O-N 3.14Å
705	Q	88.1	Confident	89	Confident	105 Å²	105	69.6 Å²	69.6	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.5	165.9	-163.7	-175.2	40.6	0	0	109.1	Y698 F700	Y698-Q705 HydrophobicContact CD1-CG 3.93Å; Y698-Q705 HydrophobicContact CG-CG 4.17Å; F700-Q705 HydrophobicContact CD1-CB 4.16Å; F700-Q705 HydrophobicContact CE1-CB 3.84Å; F700-Q705 HydrophobicContact CE1-CG 4.39Å; F700-Q705 HydrophobicContact CE2-CG 4.49Å; F700-Q705 HydrophobicContact CZ-CB 4.18Å; F700-Q705 HydrophobicContact CZ-CG 4.25Å
706	V	87.7	Confident	88.9	Confident	41 Å²	41	66.6 Å²	66.6	25%	0.248	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.8	-178.7	179.8	0	0	0	0	108.9	Y698 T699 R701 F708	Y698-V706 WeakPolarHBondContact CA-O 3.32Å; T699-V706 PolarHBondContact N-O 3.47Å; T699-V706 PolarHBondContact O-N 3.4Å; R701-V706 HydrophobicContact CB-CG2 4.41Å; V706-F708 HydrophobicContact CB-CE2 3.8Å; V706-F708 HydrophobicContact CG1-CD2 4.25Å; V706-F708 HydrophobicContact CG1-CE2 3.49Å; V706-F708 VanDerWaalsContact CG1-CE2 3.49Å; V706-F708 HydrophobicContact CG1-CZ 3.91Å; V706-F708 WeakPolarHBondContact O-CD2 3.5Å
707	G	91.6	Very high	88.7	Confident	14 Å²	14	67.4 Å²	67.4	14%	0.144	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.4	176.1	0	0	0	0	0	112.7	S579 L580 H696 M697	S579-G707 WeakPolarHBondContact CA-O 3.42Å; S579-G707 PolarHBondContact OG-O 2.82Å; L580-G707 PolarHBondContact N-O 3.05Å; H696-G707 WeakPolarHBondContact NE2-CA 3.38Å; M697-G707 CarbonylContact O-C 3.58Å; M697-G707 WeakPolarHBondContact O-CA 3.35Å
708	F	93.2	Very high	88.8	Confident	14 Å²	14	62.8 Å²	62.8	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.6	178.7	-74.9	-92.2	0	0	0	110.3	E578 H696 M697 T699 V706	E578-F708 VanDerWaalsContact C-CD1 3.41Å; E578-F708 CarbonylContact O-C 3.49Å; E578-F708 VanDerWaalsContact O-CA 3.25Å; E578-F708 WeakPolarHBondContact O-CA 3.14Å; E578-F708 WeakPolarHBondContact O-CD1 3.4Å; H696-F708 WeakPolarHBondContact CA-O 3.48Å; H696-F708 PolarHBondContact CD2-O 3.26Å; M697-F708 PolarHBondContact N-O 3.47Å; M697-F708 PolarHBondContact O-N 3.18Å; T699-F708 HydrophobicContact CG2-CD2 4.33Å; T699-F708 WeakPolarHBondContact OG1-CD2 3.45Å; T699-F708 WeakPolarHBondContact OG1-CE2 3.19Å; V706-F708 HydrophobicContact CB-CE2 3.8Å; V706-F708 HydrophobicContact CG1-CD2 4.25Å; V706-F708 HydrophobicContact CG1-CE2 3.49Å; V706-F708 VanDerWaalsContact CG1-CE2 3.49Å; V706-F708 HydrophobicContact CG1-CZ 3.91Å; V706-F708 WeakPolarHBondContact O-CD2 3.5Å
709	I	95.8	Very high	88.9	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.5	166.6	-58	-52.8	0	0	0	107.8	L573 G577 E578 L580 L583 V668 V672 L694 Y695 H696	L573-I709 HydrophobicContact CD2-CG2 4.36Å; G577-I709 CarbonylContact C-O 3.46Å; G577-I709 WeakPolarHBondContact CA-O 3.45Å; E578-I709 PolarHBondContact N-O 3.06Å; E578-I709 PolarHBondContact O-N 3.41Å; L580-I709 HydrophobicContact CB-CG1 4.49Å; L580-I709 HydrophobicContact CD1-CD1 4.16Å; L580-I709 HydrophobicContact CD1-CG1 4.05Å; L583-I709 HydrophobicContact CD2-CB 3.68Å; L583-I709 HydrophobicContact CD2-CG1 3.76Å; L583-I709 HydrophobicContact CD2-CG2 4Å; V668-I709 HydrophobicContact CG1-CD1 3.9Å; V668-I709 HydrophobicContact CG1-CG1 3.74Å; V672-I709 HydrophobicContact CG2-CD1 4.08Å; V672-I709 HydrophobicContact CG2-CG2 4.41Å; L694-I709 HydrophobicContact CB-CG2 4.11Å; L694-I709 HydrophobicContact CD1-CG2 4.23Å; L694-I709 HydrophobicContact CD2-CG2 4.31Å; L694-I709 HydrophobicContact CG-CG2 4.46Å; Y695-I709 WeakPolarHBondContact O-CA 3.45Å; H696-I709 HydrophobicContact CB-CD1 3.77Å
710	K	94.3	Very high	89.1	Confident	78 Å²	78	61.4 Å²	61.4	34%	0.339	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.5	-177.9	-167.7	-176.1	177.8	-173.9	0	111.2	P575 Y695 M697	P575-K710 WeakPolarHBondContact O-CE 3.31Å; Y695-K710 PolarHBondContact N-O 3.24Å; Y695-K710 PolarHBondContact O-N 2.85Å; M697-K710 HydrophobicContact SD-CB 4.09Å; M697-K710 HydrophobicContact SD-CD 3.82Å
711	P	95.4	Very high	89.4	Confident	5 Å²	5	62 Å²	62	3%	0.032	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	153.7	172.6	30	-34.1	0	0	0	112.3	L573 I693 L715	L573-P711 HydrophobicContact CD2-CB 4.3Å; L573-P711 HydrophobicContact CD2-CG 4.31Å; I693-P711 CarbonylContact O-C 3.52Å; I693-P711 WeakPolarHBondContact O-CA 3.36Å; P711-L715 HydrophobicContact CB-CD2 3.94Å; P711-L715 HydrophobicContact CB-CG 4.46Å
712	H	94.3	Very high	90.1	Very high	39 Å²	39	54.3 Å²	54.3	18%	0.181	28%	0.282	C	S	.	.			trans	-67.8	142.3	167.9	-166.1	-111.9	0	0	0	110.3	I691 I693 Y695 I714 L715 T716	I691-H712 WeakPolarHBondContact CD1-CE1 3.39Å; I693-H712 HydrophobicContact CD1-CB 3.87Å; I693-H712 HydrophobicContact CG1-CB 4.3Å; I693-H712 PolarHBondContact O-N 3.47Å; Y695-H712 HydrophobicContact CE2-CB 3.93Å; Y695-H712 AromaticContact CE2-CD2 3.61Å; Y695-H712 AromaticContact CZ-CD2 3.99Å; H712-I714 PolarHBondContact ND1-N 3.43Å; H712-I714 PolarHBondContact O-N 2.81Å; H712-I714 VanDerWaalsContact O-N 3.08Å; H712-L715 PolarHBondContact O-N 3.4Å; H712-T716 PolarHBondContact O-N 2.88Å
713	P	92.2	Very high	90.3	Very high	85 Å²	85	51.3 Å²	51.3	55%	0.552	26%	0.255	S	S	*	.	H	α-helix	trans	-53.8	-31.7	179.8	-30.2	37.6	0	0	0	115	L715 T716 Q717	P713-L715 PolarHBondContact O-N 3.27Å; P713-T716 PolarHBondContact O-N 3.39Å; P713-Q717 WeakPolarHBondContact O-CB 3.18Å; P713-Q717 PolarHBondContact O-N 3.25Å
714	I	93.3	Very high	90.4	Very high	22 Å²	22	49 Å²	49	11%	0.113	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-45.8	174.7	-69.9	176	0	0	0	111.7	I677 I681 L682 I691 H712 Q717 M718	I677-I714 HydrophobicContact CD1-CG2 3.91Å; I681-I714 HydrophobicContact CG2-CG2 3.75Å; L682-I714 HydrophobicContact CD1-CB 4.31Å; L682-I714 HydrophobicContact CD1-CG1 4.29Å; L682-I714 HydrophobicContact CD1-CG2 3.89Å; L682-I714 HydrophobicContact CG-CG2 4.03Å; I691-I714 HydrophobicContact CD1-CD1 4.3Å; H712-I714 PolarHBondContact ND1-N 3.43Å; H712-I714 PolarHBondContact O-N 2.81Å; H712-I714 VanDerWaalsContact O-N 3.08Å; I714-Q717 PolarHBondContact O-N 2.93Å; I714-M718 HydrophobicContact CG2-CG 4.39Å; I714-M718 HydrophobicContact CG2-SD 3.78Å; I714-M718 WeakPolarHBondContact O-CB 3.35Å; I714-M718 VanDerWaalsContact O-CG 3.24Å; I714-M718 WeakPolarHBondContact O-CG 3.42Å; I714-M718 PolarHBondContact O-N 2.89Å
715	L	93.2	Very high	90.6	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-44.5	178.7	165.3	63.5	0	0	0	110.8	L516 W523 V570 I693 P711 H712 P713 Q717 M718 Q719	L516-L715 HydrophobicContact CD2-CD1 4.25Å; W523-L715 HydrophobicContact CH2-CD1 4.24Å; W523-L715 HydrophobicContact CZ3-CD1 4.49Å; V570-L715 HydrophobicContact CG1-CD1 4.49Å; V570-L715 HydrophobicContact CG1-CD2 3.58Å; I693-L715 HydrophobicContact CD1-CB 3.68Å; I693-L715 HydrophobicContact CG1-CB 3.54Å; I693-L715 HydrophobicContact CG1-CD2 3.7Å; I693-L715 HydrophobicContact CG1-CG 4.2Å; I693-L715 HydrophobicContact CG2-CD2 4.45Å; P711-L715 HydrophobicContact CB-CD2 3.94Å; P711-L715 HydrophobicContact CB-CG 4.46Å; H712-L715 PolarHBondContact O-N 3.4Å; P713-L715 PolarHBondContact O-N 3.27Å; L715-Q717 VanDerWaalsContact C-N 3.3Å; L715-Q717 PolarHBondContact O-N 3.06Å; L715-M718 PolarHBondContact O-N 3.38Å; L715-Q719 HydrophobicContact CD1-CG 3.82Å; L715-Q719 HydrophobicContact CG-CG 4.49Å; L715-Q719 WeakPolarHBondContact O-CB 3.42Å; L715-Q719 VanDerWaalsContact O-CG 3.29Å; L715-Q719 WeakPolarHBondContact O-CG 3.39Å; L715-Q719 PolarHBondContact O-N 3.39Å; L715-Q719 PolarHBondContact O-OE1 3.31Å
716	T	90.6	Very high	90.7	Very high	20 Å²	20	40.3 Å²	40.3	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-45.2	174.4	-63.9	0	0	0	0	111.7	P575 H712 P713 Q719 Q720	P575-T716 HydrophobicContact CB-CG2 3.83Å; P575-T716 HydrophobicContact CG-CG2 3.84Å; H712-T716 PolarHBondContact O-N 2.88Å; P713-T716 PolarHBondContact O-N 3.39Å; T716-Q719 PolarHBondContact O-N 2.87Å; T716-Q720 HydrophobicContact CG2-CG 4.49Å; T716-Q720 WeakPolarHBondContact O-CB 3.29Å; T716-Q720 VanDerWaalsContact O-CG 3.24Å; T716-Q720 WeakPolarHBondContact O-CG 3.29Å; T716-Q720 PolarHBondContact O-N 2.98Å
717	Q	91	Very high	91	Very high	82 Å²	82	39.8 Å²	39.8	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-48.7	178.3	-176.4	176.4	-4.6	0	0	111.4	L682 P713 I714 L715 Q719 Q720 E721	L682-Q717 HydrophobicContact CD1-CB 4.14Å; L682-Q717 HydrophobicContact CD1-CG 4.02Å; P713-Q717 WeakPolarHBondContact O-CB 3.18Å; P713-Q717 PolarHBondContact O-N 3.25Å; I714-Q717 PolarHBondContact O-N 2.93Å; L715-Q717 VanDerWaalsContact C-N 3.3Å; L715-Q717 PolarHBondContact O-N 3.06Å; Q717-Q719 VanDerWaalsContact C-N 3.33Å; Q717-Q719 PolarHBondContact O-N 2.89Å; Q717-Q720 PolarHBondContact O-N 3.5Å; Q717-E721 HydrophobicContact CG-CG 4.37Å; Q717-E721 WeakPolarHBondContact CG-OE1 3.25Å; Q717-E721 PolarHBondContact NE2-OE1 3.32Å; Q717-E721 WeakPolarHBondContact O-CB 3.47Å; Q717-E721 WeakPolarHBondContact O-CG 3.42Å; Q717-E721 PolarHBondContact O-N 3.47Å
718	M	92.3	Very high	91	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-44.8	176.4	-70.8	171.9	76.4	0	0	112.1	M512 L515 L516 Q519 I677 I681 L682 I714 L715 A722	M512-M718 HydrophobicContact SD-CG 4.27Å; L515-M718 HydrophobicContact CB-CE 3.62Å; L516-M718 HydrophobicContact CD1-CB 4.48Å; L516-M718 HydrophobicContact CD2-CB 3.85Å; L516-M718 HydrophobicContact CD2-CE 4.01Å; L516-M718 HydrophobicContact CG-CB 4.09Å; L516-M718 HydrophobicContact CG-CE 4.16Å; Q519-M718 HydrophobicContact CG-CE 4.43Å; I677-M718 HydrophobicContact CD1-CE 4.46Å; I677-M718 HydrophobicContact CD1-SD 3.72Å; I681-M718 HydrophobicContact CD1-CE 4.27Å; L682-M718 HydrophobicContact CD1-CG 4.25Å; L682-M718 HydrophobicContact CD2-CG 3.83Å; L682-M718 HydrophobicContact CD2-SD 4.41Å; L682-M718 HydrophobicContact CG-CG 4.46Å; I714-M718 HydrophobicContact CG2-CG 4.39Å; I714-M718 HydrophobicContact CG2-SD 3.78Å; I714-M718 WeakPolarHBondContact O-CB 3.35Å; I714-M718 VanDerWaalsContact O-CG 3.24Å; I714-M718 WeakPolarHBondContact O-CG 3.42Å; I714-M718 PolarHBondContact O-N 2.89Å; L715-M718 PolarHBondContact O-N 3.38Å; M718-A722 WeakPolarHBondContact O-CB 3.38Å; M718-A722 PolarHBondContact O-N 3.06Å
719	Q	90	Very high	91	Very high	37 Å²	37	40.8 Å²	40.8	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-42	177.6	-71.7	171.8	-58.7	0	0	112.3	L516 S571 L715 T716 Q717 M723	L516-Q719 HydrophobicContact CD1-CG 4.46Å; L516-Q719 HydrophobicContact CD2-CG 4.45Å; S571-Q719 PolarHBondContact O-NE2 3.16Å; L715-Q719 HydrophobicContact CD1-CG 3.82Å; L715-Q719 HydrophobicContact CG-CG 4.49Å; L715-Q719 WeakPolarHBondContact O-CB 3.42Å; L715-Q719 VanDerWaalsContact O-CG 3.29Å; L715-Q719 WeakPolarHBondContact O-CG 3.39Å; L715-Q719 PolarHBondContact O-N 3.39Å; L715-Q719 PolarHBondContact O-OE1 3.31Å; T716-Q719 PolarHBondContact O-N 2.87Å; Q717-Q719 VanDerWaalsContact C-N 3.33Å; Q717-Q719 PolarHBondContact O-N 2.89Å; Q719-M723 PolarHBondContact O-N 3.16Å
720	Q	86.3	Confident	90.8	Very high	104 Å²	104	43 Å²	43	49%	0.486	22%	0.223	S	C	.	.	H	α-helix	trans	-69.6	-38.9	179.4	-74.7	175.9	-19.2	0	0	112.5	T716 Q717 M723	T716-Q720 HydrophobicContact CG2-CG 4.49Å; T716-Q720 WeakPolarHBondContact O-CB 3.29Å; T716-Q720 VanDerWaalsContact O-CG 3.24Å; T716-Q720 WeakPolarHBondContact O-CG 3.29Å; T716-Q720 PolarHBondContact O-N 2.98Å; Q717-Q720 PolarHBondContact O-N 3.5Å; Q720-M723 WeakPolarHBondContact O-CG 3.41Å
721	E	88.7	Confident	90.9	Very high	59 Å²	59	39.6 Å²	39.6	28%	0.276	21%	0.208	S	C	.	.	H	α-helix	trans	-80.3	-30	179	-70.4	-177.5	-150.1	0	0	113.2	N508 M509 M512 Q717 M723	N508-E721 PolarHBondContact ND2-OE2 3.39Å; M509-E721 WeakPolarHBondContact CG-O 3.2Å; M512-E721 HydrophobicContact CB-CB 4.41Å; M512-E721 HydrophobicContact CG-CB 3.89Å; Q717-E721 HydrophobicContact CG-CG 4.37Å; Q717-E721 WeakPolarHBondContact CG-OE1 3.25Å; Q717-E721 PolarHBondContact NE2-OE1 3.32Å; Q717-E721 WeakPolarHBondContact O-CB 3.47Å; Q717-E721 WeakPolarHBondContact O-CG 3.42Å; Q717-E721 PolarHBondContact O-N 3.47Å; E721-M723 VanDerWaalsContact C-N 3.28Å; E721-M723 PolarHBondContact O-N 2.99Å
722	A	88.1	Confident	90.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-29.2	173.7	0	0	0	0	0	112.8	M512 R513 L516 M718 E724	M512-A722 HydrophobicContact CB-CB 3.98Å; R513-A722 HydrophobicContact CG-CB 3.86Å; R513-A722 PolarHBondContact NE-O 3.39Å; R513-A722 PolarHBondContact NH2-O 2.91Å; L516-A722 HydrophobicContact CD1-CB 3.53Å; M718-A722 WeakPolarHBondContact O-CB 3.38Å; M718-A722 PolarHBondContact O-N 3.06Å; A722-E724 HydrophobicContact CB-CG 4.27Å; A722-E724 PolarHBondContact O-N 3.37Å
723	M	84.3	Confident	90.8	Very high	53 Å²	53	40 Å²	40	26%	0.261	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	66.1	-177.1	-69	-163.9	60	0	0	112	K503 M509 R513 Q719 Q720 E721 T725	K503-M723 HydrophobicContact CD-CE 4Å; K503-M723 HydrophobicContact CD-SD 3.79Å; K503-M723 PolarHBondContact NZ-SD 3.12Å; K503-M723 VanDerWaalsContact NZ-SD 3.39Å; M509-M723 HydrophobicContact CE-CB 4.39Å; R513-M723 PolarHBondContact NH2-O 3.47Å; Q719-M723 PolarHBondContact O-N 3.16Å; Q720-M723 WeakPolarHBondContact O-CG 3.41Å; E721-M723 VanDerWaalsContact C-N 3.28Å; E721-M723 PolarHBondContact O-N 2.99Å; M723-T725 PolarHBondContact O-N 3.23Å
724	E	85.6	Confident	91	Very high	76 Å²	76	36.4 Å²	36.4	36%	0.355	19%	0.191	S	C	.	.			trans	-66.7	133	-178.2	-59	-165.5	108.5	0	0	111.2	R520 A722 T726	R520-E724 IonicContact CZ-OE1 3.05Å; R520-E724 IonicContact CZ-OE2 2.69Å; R520-E724 IonicContact NH1-OE1 2.76Å; R520-E724 PolarHBondContact NH1-OE1 3.41Å; R520-E724 IonicContact NH1-OE2 3.63Å; R520-E724 PolarHBondContact NH1-OE2 3.42Å; R520-E724 IonicContact NH2-OE1 3.58Å; R520-E724 IonicContact NH2-OE2 3.6Å; R520-E724 PolarHBondContact NH2-OE2 3.23Å; A722-E724 HydrophobicContact CB-CG 4.27Å; A722-E724 PolarHBondContact O-N 3.37Å; E724-T726 VanDerWaalsContact C-N 3.33Å; E724-T726 PolarHBondContact O-N 3.45Å
725	T	86.2	Confident	91.3	Very high	47 Å²	47	35.6 Å²	35.6	29%	0.288	19%	0.187	S	C	.	.			trans	-89.4	6.7	-171.9	53.6	0	0	0	0	113.7	S498 M502 M723	S498-T725 WeakPolarHBondContact CB-O 3.25Å; S498-T725 PolarHBondContact N-O 3.01Å; M502-T725 HydrophobicContact CG-CG2 4.03Å; M502-T725 HydrophobicContact SD-CG2 4.02Å; M723-T725 PolarHBondContact O-N 3.23Å
726	T	91.7	Very high	91.5	Very high	66 Å²	66	35.4 Å²	35.4	41%	0.405	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.6	-176.1	60.2	0	0	0	0	112.1	T495 I496 E724	T495-T726 HydrophobicContact CG2-CG2 4.43Å; I496-T726 CarbonylContact O-C 3.59Å; I496-T726 WeakPolarHBondContact O-CA 3.42Å; E724-T726 VanDerWaalsContact C-N 3.33Å; E724-T726 PolarHBondContact O-N 3.45Å
727	L	92.4	Very high	91.9	Very high	29 Å²	29	35.1 Å²	35.1	15%	0.152	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.1	-177	-60.3	174.3	0	0	0	108.8	T495 I496 F729 L867 Y868	T495-L727 CarbonylContact C-O 3.59Å; T495-L727 WeakPolarHBondContact CA-O 3.14Å; I496-L727 HydrophobicContact CG1-CB 4.21Å; I496-L727 PolarHBondContact N-O 3.49Å; I496-L727 PolarHBondContact O-N 3.02Å; L727-F729 HydrophobicContact CB-CD2 4.35Å; L727-F729 HydrophobicContact CB-CE2 3.52Å; L727-F729 HydrophobicContact CB-CZ 4.04Å; L727-F729 HydrophobicContact CD1-CE2 4.4Å; L727-F729 HydrophobicContact CD1-CZ 4.36Å; L727-L867 HydrophobicContact CD1-CG 4.31Å; L727-Y868 HydrophobicContact CD1-CD1 4.04Å; L727-Y868 HydrophobicContact CD1-CE1 4.41Å; L727-Y868 HydrophobicContact CD2-CE1 4.18Å
728	T	92.6	Very high	92.2	Very high	36 Å²	36	31.2 Å²	31.2	22%	0.221	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.2	-177.7	-53.4	0	0	0	0	112.2	V494 T495 Q568 N572	V494-T728 WeakPolarHBondContact O-CA 3.27Å; T495-T728 WeakPolarHBondContact CG2-OG1 3.46Å; T495-T728 WeakPolarHBondContact OG1-CG2 3.42Å; T495-T728 PolarHBondContact OG1-OG1 2.8Å; Q568-T728 PolarHBondContact NE2-O 2.89Å; N572-T728 PolarHBondContact ND2-O 3.48Å
729	F	92.8	Very high	92.5	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.057	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	163	-173.8	-61.8	-87.6	0	0	0	111.4	T493 V494 I496 L727 V733 M734 Y868 I872 Y899	T493-F729 CarbonylContact C-O 3.57Å; T493-F729 WeakPolarHBondContact CA-O 3.31Å; T493-F729 WeakPolarHBondContact CB-O 3.23Å; V494-F729 PolarHBondContact N-O 3.44Å; V494-F729 PolarHBondContact O-N 3.24Å; I496-F729 HydrophobicContact CD1-CD2 4.24Å; I496-F729 HydrophobicContact CD1-CE2 3.71Å; I496-F729 HydrophobicContact CG1-CD2 4.27Å; I496-F729 HydrophobicContact CG1-CE2 3.89Å; L727-F729 HydrophobicContact CB-CD2 4.35Å; L727-F729 HydrophobicContact CB-CE2 3.52Å; L727-F729 HydrophobicContact CB-CZ 4.04Å; L727-F729 HydrophobicContact CD1-CE2 4.4Å; L727-F729 HydrophobicContact CD1-CZ 4.36Å; F729-V733 HydrophobicContact CB-CG2 3.7Å; F729-V733 HydrophobicContact CD1-CG2 4.01Å; F729-V733 HydrophobicContact CG-CG2 4.16Å; F729-M734 HydrophobicContact CB-CE 3.87Å; F729-M734 HydrophobicContact CD2-CE 3.56Å; F729-M734 HydrophobicContact CE2-CE 4.35Å; F729-M734 HydrophobicContact CG-CE 3.92Å; F729-Y868 HydrophobicContact CE1-CD1 4.31Å; F729-Y868 AromaticContact CE1-CD2 3.93Å; F729-Y868 HydrophobicContact CE1-CD2 3.93Å; F729-Y868 HydrophobicContact CE1-CE2 4.37Å; F729-Y868 AromaticContact CE1-CG 3.9Å; F729-Y868 HydrophobicContact CE1-CG 3.9Å; F729-Y868 AromaticContact CZ-CD1 3.93Å; F729-Y868 HydrophobicContact CZ-CD1 3.93Å; F729-Y868 HydrophobicContact CZ-CD2 4.35Å; F729-Y868 HydrophobicContact CZ-CE1 4.48Å; F729-Y868 AromaticContact CZ-CG 3.86Å; F729-Y868 HydrophobicContact CZ-CG 3.86Å; F729-I872 HydrophobicContact CE1-CD1 4.37Å; F729-I872 HydrophobicContact CE2-CG1 4.43Å; F729-I872 HydrophobicContact CZ-CD1 4.3Å; F729-I872 HydrophobicContact CZ-CG1 4.5Å; F729-Y899 HydrophobicContact CD1-CD2 4.46Å; F729-Y899 HydrophobicContact CD1-CE2 4.01Å; F729-Y899 HydrophobicContact CE1-CD2 4.42Å; F729-Y899 HydrophobicContact CE1-CE2 4.16Å
730	D	92.4	Very high	92.9	Very high	50 Å²	50	29.5 Å²	29.5	27%	0.267	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	136.6	166.1	-63.5	-40.9	0	0	0	109.8	C492 R590 S732 V733	C492-D730 CarbonylContact O-C 3.4Å; R590-D730 WeakPolarHBondContact CD-OD2 3.17Å; R590-D730 WeakPolarHBondContact CG-OD2 3.39Å; R590-D730 IonicContact CZ-OD1 2.67Å; R590-D730 VanDerWaalsContact CZ-OD1 3.24Å; R590-D730 VanDerWaalsContact NE-CG 3.32Å; R590-D730 IonicContact NE-OD1 3.71Å; R590-D730 PolarHBondContact NE-OD1 2.94Å; R590-D730 IonicContact NE-OD2 2.65Å; R590-D730 PolarHBondContact NE-OD2 3.5Å; R590-D730 IonicContact NH2-OD1 2.88Å; R590-D730 PolarHBondContact NH2-OD1 3.28Å; D730-S732 VanDerWaalsContact C-N 3.25Å; D730-S732 PolarHBondContact O-N 3.5Å; D730-V733 VanDerWaalsContact O-CG2 3.25Å; D730-V733 WeakPolarHBondContact O-CG2 2.99Å; D730-V733 PolarHBondContact O-N 3.32Å
731	S	94.9	Very high	93.4	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.035	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-53	-34.1	-168.8	54.5	0	0	0	0	115.2	V488 C492 V733 M734	V488-S731 WeakPolarHBondContact O-CB 3.49Å; C492-S731 WeakPolarHBondContact CA-OG 3.4Å; C492-S731 WeakPolarHBondContact O-CB 3.2Å; C492-S731 PolarHBondContact O-N 2.97Å; C492-S731 PolarHBondContact O-OG 2.86Å; C492-S731 VanDerWaalsContact O-OG 3.07Å; S731-V733 VanDerWaalsContact C-N 3.28Å; S731-V733 PolarHBondContact O-N 3.13Å; S731-M734 WeakPolarHBondContact O-CB 3.48Å; S731-M734 PolarHBondContact O-N 3.39Å
732	S	93.8	Very high	93.8	Very high	27 Å²	27	21.9 Å²	21.9	19%	0.189	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-71.6	-14.1	-179	52.5	0	0	0	0	114.8	D730 M734 Y751	D730-S732 VanDerWaalsContact C-N 3.25Å; D730-S732 PolarHBondContact O-N 3.5Å; S732-M734 PolarHBondContact O-N 3.31Å; S732-Y751 WeakPolarHBondContact O-CE1 3.49Å; S732-Y751 PolarHBondContact O-OH 2.93Å
733	V	94.6	Very high	94.2	Very high	25 Å²	25	22 Å²	22	15%	0.152	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-80.5	-5.9	173.8	-47.7	0	0	0	0	113.2	F729 D730 S731 P898 Y899	F729-V733 HydrophobicContact CB-CG2 3.7Å; F729-V733 HydrophobicContact CD1-CG2 4.01Å; F729-V733 HydrophobicContact CG-CG2 4.16Å; D730-V733 VanDerWaalsContact O-CG2 3.25Å; D730-V733 WeakPolarHBondContact O-CG2 2.99Å; D730-V733 PolarHBondContact O-N 3.32Å; S731-V733 VanDerWaalsContact C-N 3.28Å; S731-V733 PolarHBondContact O-N 3.13Å; V733-P898 HydrophobicContact CB-CG 4.08Å; V733-P898 HydrophobicContact CG1-CG 4.13Å; V733-Y899 HydrophobicContact CB-CD2 3.92Å; V733-Y899 HydrophobicContact CB-CE2 3.77Å; V733-Y899 HydrophobicContact CG1-CE2 4.11Å; V733-Y899 HydrophobicContact CG2-CD2 3.84Å; V733-Y899 HydrophobicContact CG2-CE2 3.66Å
734	M	97.1	Very high	94.6	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.054	12%	0.115	C	C	.	.	S	Bend	trans	-89	154.8	175.4	-60.7	-63.2	-175.8	0	0	111.8	V494 I496 F729 S731 S732 I872 P897	V494-M734 HydrophobicContact CB-CE 4.14Å; V494-M734 HydrophobicContact CB-CG 4.49Å; V494-M734 HydrophobicContact CG1-CE 4.12Å; V494-M734 HydrophobicContact CG2-CG 4.47Å; I496-M734 HydrophobicContact CD1-CE 4.2Å; I496-M734 HydrophobicContact CG2-CE 3.81Å; F729-M734 HydrophobicContact CB-CE 3.87Å; F729-M734 HydrophobicContact CD2-CE 3.56Å; F729-M734 HydrophobicContact CE2-CE 4.35Å; F729-M734 HydrophobicContact CG-CE 3.92Å; S731-M734 WeakPolarHBondContact O-CB 3.48Å; S731-M734 PolarHBondContact O-N 3.39Å; S732-M734 PolarHBondContact O-N 3.31Å; M734-I872 HydrophobicContact CE-CG1 4.16Å; M734-I872 HydrophobicContact SD-CD1 4.17Å; M734-I872 HydrophobicContact SD-CG1 3.88Å; M734-I872 HydrophobicContact SD-CG2 3.98Å; M734-P897 VanDerWaalsContact O-CG 3.29Å; M734-P897 WeakPolarHBondContact O-CG 3.42Å
735	P	97.9	Very high	94.9	Very high	4 Å²	4	17 Å²	17	3%	0.026	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-64.8	146.5	165.6	-12.2	27.8	0	0	0	111	M876 F881 F883 F900	P735-M876 HydrophobicContact CB-CE 3.94Å; P735-M876 HydrophobicContact CG-CE 4.07Å; P735-M876 HydrophobicContact CG-CG 4.39Å; P735-F881 HydrophobicContact CB-CB 3.98Å; P735-F881 HydrophobicContact CB-CD2 3.58Å; P735-F881 HydrophobicContact CB-CE2 4.39Å; P735-F881 HydrophobicContact CB-CG 3.98Å; P735-F881 HydrophobicContact CG-CD2 4.12Å; P735-F881 HydrophobicContact CG-CE2 4.5Å; P735-F883 HydrophobicContact CB-CD1 4.3Å; P735-F883 HydrophobicContact CB-CE1 3.91Å; P735-F883 HydrophobicContact CG-CE1 3.86Å; P735-F883 HydrophobicContact CG-CZ 4.41Å; P735-F900 HydrophobicContact CG-CD1 4.28Å
736	M	98.5	Very high	95	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-77.4	144.5	-178.4	-66.9	-177.8	70	0	0	111.8	Q485 P740 Y751 L752 F881 W882 P884	Q485-M736 HydrophobicContact CG-CE 3.91Å; M736-P740 HydrophobicContact SD-CB 3.93Å; M736-P740 HydrophobicContact SD-CG 3.85Å; M736-Y751 HydrophobicContact CG-CD1 4.18Å; M736-Y751 HydrophobicContact CG-CE1 4.43Å; M736-Y751 HydrophobicContact SD-CD1 3.91Å; M736-L752 HydrophobicContact CE-CD2 4.07Å; M736-L752 HydrophobicContact CE-CG 4.14Å; M736-F881 CarbonylContact O-C 3.59Å; M736-F881 WeakPolarHBondContact O-CA 3.24Å; M736-F881 VanDerWaalsContact O-CB 3.25Å; M736-F881 WeakPolarHBondContact O-CB 3.3Å; M736-W882 HydrophobicContact CB-CB 4.48Å; M736-W882 PolarHBondContact N-O 2.98Å; M736-W882 PolarHBondContact O-N 2.86Å; M736-P884 HydrophobicContact CG-CG 4.02Å; M736-P884 HydrophobicContact SD-CB 4.05Å; M736-P884 HydrophobicContact SD-CG 3.65Å
737	L	98.2	Very high	94.8	Very high	14 Å²	14	18 Å²	18	7%	0.073	10%	0.096	C	C	.	.	S	Bend	trans	-89.5	-3.6	-179.4	-60.8	179.3	0	0	0	114.4	R481 M876 K879 W882	R481-L737 WeakPolarHBondContact CB-O 3.39Å; R481-L737 WeakPolarHBondContact CG-O 3.34Å; R481-L737 PolarHBondContact NH1-O 3.41Å; L737-M876 HydrophobicContact CD2-CE 3.54Å; L737-M876 HydrophobicContact CD2-SD 4.23Å; L737-K879 HydrophobicContact CD2-CB 4.36Å; L737-K879 HydrophobicContact CD2-CD 3.96Å; L737-W882 WeakPolarHBondContact O-CZ3 3.47Å
738	C	98.3	Very high	94.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-133.3	165.1	171.5	69.6	0	0	0	0	110.7	R481 Q485	R481-C738 HydrophobicContact CB-CB 3.91Å; Q485-C738 HydrophobicContact CB-CB 4.38Å; Q485-C738 VanDerWaalsContact CB-SG 3.57Å
739	P	98.2	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-52.1	132	169.2	-27.5	34.9	0	0	0	112.2	L471 L478 Y613 L620 W882	L471-P739 HydrophobicContact CD1-CG 3.75Å; L478-P739 HydrophobicContact CD2-CG 3.96Å; Y613-P739 WeakPolarHBondContact CE2-O 3.48Å; Y613-P739 WeakPolarHBondContact OH-CD 2.88Å; Y613-P739 PolarHBondContact OH-O 3.23Å; L620-P739 HydrophobicContact CD1-CB 3.67Å; L620-P739 HydrophobicContact CD1-CG 3.85Å; P739-W882 HydrophobicContact CG-CD2 4.4Å; P739-W882 HydrophobicContact CG-CH2 4.34Å; P739-W882 HydrophobicContact CG-CZ2 3.77Å
740	P	98.2	Very high	94.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-61.3	157.7	-179.9	-28.6	39.7	0	0	0	113.9	M736 A750 S789 W882 P884	M736-P740 HydrophobicContact SD-CB 3.93Å; M736-P740 HydrophobicContact SD-CG 3.85Å; P740-A750 WeakPolarHBondContact CA-O 3.31Å; P740-A750 WeakPolarHBondContact CB-O 3.26Å; P740-S789 WeakPolarHBondContact CD-O 3.14Å; P740-W882 HydrophobicContact CG-CB 4Å; P740-P884 HydrophobicContact CB-CB 4.1Å; P740-P884 HydrophobicContact CG-CB 4.02Å
741	V	97.6	Very high	95.1	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128.2	170.3	175.2	0	0	0	0	108.5	L609 W635 W743 F748 G749 A750 L752	L609-V741 HydrophobicContact CD1-CG2 4.4Å; W635-V741 HydrophobicContact CH2-CG1 4.08Å; W635-V741 HydrophobicContact CH2-CG2 4.19Å; W635-V741 HydrophobicContact CZ2-CG1 3.93Å; V741-W743 PolarHBondContact O-N 3.17Å; V741-F748 HydrophobicContact CG1-CD1 4.16Å; V741-F748 HydrophobicContact CG1-CE1 3.42Å; V741-F748 VanDerWaalsContact CG1-CE1 3.42Å; V741-F748 HydrophobicContact CG1-CZ 3.92Å; V741-G749 CarbonylContact O-C 3.57Å; V741-A750 PolarHBondContact N-O 3.5Å; V741-A750 PolarHBondContact O-N 3.26Å; V741-L752 HydrophobicContact CG2-CD2 3.7Å
742	P	97.3	Very high	95.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.6	178.2	26.2	-33.3	0	0	0	110.5	Y616 P631 W635 T744 N786	Y616-P742 HydrophobicContact CE2-CG 4.27Å; P631-P742 HydrophobicContact CB-CB 4.27Å; W635-P742 HydrophobicContact CB-CG 3.7Å; W635-P742 HydrophobicContact CD2-CG 3.8Å; W635-P742 HydrophobicContact CE3-CG 3.69Å; W635-P742 HydrophobicContact CG-CG 3.81Å; P742-T744 PolarHBondContact O-N 3.05Å; P742-N786 WeakPolarHBondContact CA-OD1 3.28Å
743	W	96.7	Very high	95.2	Very high	1 Å²	1	13 Å²	13	0%	0.004	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	121.4	166.4	-69.3	102.6	0	0	0	109.7	R632 V741 F748 A750 A756 L758 F782 N786 H885 N886	R632-W743 WeakPolarHBondContact CG-O 3.44Å; V741-W743 PolarHBondContact O-N 3.17Å; W743-F748 WeakPolarHBondContact CA-O 3.29Å; W743-A750 HydrophobicContact CH2-CB 4.44Å; W743-A750 HydrophobicContact CZ2-CB 3.75Å; W743-A756 HydrophobicContact CH2-CB 3.66Å; W743-A756 HydrophobicContact CZ2-CB 4.15Å; W743-L758 HydrophobicContact CD2-CD1 3.67Å; W743-L758 HydrophobicContact CE3-CB 4.41Å; W743-L758 HydrophobicContact CE3-CD1 3.68Å; W743-L758 HydrophobicContact CG-CD1 4.12Å; W743-L758 HydrophobicContact CH2-CB 4.18Å; W743-L758 HydrophobicContact CH2-CD1 4.48Å; W743-L758 HydrophobicContact CZ2-CD1 4.46Å; W743-L758 HydrophobicContact CZ3-CB 4Å; W743-L758 HydrophobicContact CZ3-CD1 4.11Å; W743-F782 HydrophobicContact CB-CB 3.9Å; W743-F782 HydrophobicContact CB-CD1 3.95Å; W743-F782 HydrophobicContact CB-CG 4.09Å; W743-F782 WeakPolarHBondContact O-CB 3.44Å; W743-N786 WeakPolarHBondContact CB-OD1 3.1Å; W743-N786 PolarHBondContact N-ND2 3.46Å; W743-N786 PolarHBondContact N-OD1 3.14Å; W743-N786 PolarHBondContact O-ND2 3.06Å; W743-H885 PolarHBondContact NE1-O 2.93Å; W743-N886 HydrophobicContact CZ2-CB 4.32Å
744	T	92.8	Very high	95.1	Very high	18 Å²	18	12.1 Å²	12.1	11%	0.11	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-25.2	172	60.9	0	0	0	0	111.9	R632 W635 P742 F748 F782	R632-T744 HydrophobicContact CG-CG2 4.25Å; W635-T744 HydrophobicContact CB-CG2 4.46Å; W635-T744 HydrophobicContact CG-CG2 4.24Å; P742-T744 PolarHBondContact O-N 3.05Å; T744-F748 HydrophobicContact CG2-CD1 4.49Å; T744-F748 PolarHBondContact N-O 3.33Å; T744-F748 WeakPolarHBondContact OG1-CD1 3.39Å; T744-F782 VanDerWaalsContact O-CE2 3.25Å; T744-F782 WeakPolarHBondContact O-CE2 3.5Å
745	S	89.9	Confident	94.7	Very high	6 Å²	6	13.8 Å²	13.8	4%	0.042	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	175	179.2	62.7	0	0	0	0	110.9	Q649 K747 F748 F782	Q649-S745 PolarHBondContact NE2-OG 3.5Å; S745-K747 PolarHBondContact O-N 3.13Å; S745-K747 VanDerWaalsContact O-N 3.14Å; S745-F748 PolarHBondContact O-N 3.22Å; S745-F748 WeakPolarHBondContact OG-CB 3.43Å; S745-F748 PolarHBondContact OG-N 3.33Å; S745-F782 VanDerWaalsContact C-CZ 3.43Å; S745-F782 VanDerWaalsContact CA-CZ 3.49Å
746	E	88.9	Confident	94.3	Very high	36 Å²	36	14.4 Å²	14.4	17%	0.168	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.5	176.7	79.3	-57.2	152.4	0	0	114.6	L758 L772 E773	E746-L758 HydrophobicContact CB-CD2 4.15Å; E746-L772 HydrophobicContact CB-CB 3.93Å; E746-L772 HydrophobicContact CG-CB 4.06Å; E746-E773 HydrophobicContact CG-CG 4.24Å
747	K	87	Confident	93.9	Very high	100 Å²	100	19.4 Å²	19.4	44%	0.435	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-7	-178.5	-68.5	175.7	-174.2	109.2	0	114.9	S745 E773	S745-K747 PolarHBondContact O-N 3.13Å; S745-K747 VanDerWaalsContact O-N 3.14Å; K747-E773 WeakPolarHBondContact CE-OE1 3.15Å; K747-E773 VanDerWaalsContact NZ-CD 3.34Å; K747-E773 IonicContact NZ-OE1 2.66Å; K747-E773 PolarHBondContact NZ-OE1 2.8Å
748	F	91.1	Very high	93.6	Very high	20 Å²	20	18.9 Å²	18.9	9%	0.088	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.4	-174.3	-170.5	-86.1	0	0	0	111.5	W635 L648 V741 W743 T744 S745	W635-F748 HydrophobicContact CZ2-CE1 4.15Å; W635-F748 HydrophobicContact CZ2-CZ 4.17Å; W635-F748 AromaticContact NE1-CE1 3.67Å; L648-F748 HydrophobicContact CB-CD2 4.45Å; L648-F748 HydrophobicContact CB-CE2 3.71Å; L648-F748 HydrophobicContact CB-CZ 3.87Å; L648-F748 HydrophobicContact CD1-CZ 3.99Å; V741-F748 HydrophobicContact CG1-CD1 4.16Å; V741-F748 HydrophobicContact CG1-CE1 3.42Å; V741-F748 VanDerWaalsContact CG1-CE1 3.42Å; V741-F748 HydrophobicContact CG1-CZ 3.92Å; W743-F748 WeakPolarHBondContact CA-O 3.29Å; T744-F748 HydrophobicContact CG2-CD1 4.49Å; T744-F748 PolarHBondContact N-O 3.33Å; T744-F748 WeakPolarHBondContact OG1-CD1 3.39Å; S745-F748 PolarHBondContact O-N 3.22Å; S745-F748 WeakPolarHBondContact OG-CB 3.43Å; S745-F748 PolarHBondContact OG-N 3.33Å
749	G	94.1	Very high	93.3	Very high	7 Å²	7	19.7 Å²	19.7	7%	0.072	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.5	-178.4	-178.4	0	0	0	0	0	112	V741 Y751	V741-G749 CarbonylContact O-C 3.57Å; G749-Y751 PolarHBondContact O-N 3.29Å
750	A	96.1	Very high	92.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.1	-99.2	-176.7	0	0	0	0	0	114.6	P740 V741 W743 A756 P884	P740-A750 WeakPolarHBondContact CA-O 3.31Å; P740-A750 WeakPolarHBondContact CB-O 3.26Å; V741-A750 PolarHBondContact N-O 3.5Å; V741-A750 PolarHBondContact O-N 3.26Å; W743-A750 HydrophobicContact CH2-CB 4.44Å; W743-A750 HydrophobicContact CZ2-CB 3.75Å; A750-A756 HydrophobicContact CB-CB 3.84Å; A750-P884 HydrophobicContact CB-CB 3.67Å
751	Y	96.9	Very high	92	Very high	21 Å²	21	25.9 Å²	25.9	8%	0.082	13%	0.13	C	C	.	.	S	Bend	trans	-77.9	164.6	-173.6	-58	-75.8	0	0	0	112.2	E489 S732 M736 G749 T754 A756 P884 C896	E489-Y751 WeakPolarHBondContact OE2-CB 3.3Å; S732-Y751 WeakPolarHBondContact O-CE1 3.49Å; S732-Y751 PolarHBondContact O-OH 2.93Å; M736-Y751 HydrophobicContact CG-CD1 4.18Å; M736-Y751 HydrophobicContact CG-CE1 4.43Å; M736-Y751 HydrophobicContact SD-CD1 3.91Å; G749-Y751 PolarHBondContact O-N 3.29Å; Y751-T754 HydrophobicContact CD2-CG2 4.42Å; Y751-A756 HydrophobicContact CD2-CB 4.03Å; Y751-A756 HydrophobicContact CE2-CB 4.47Å; Y751-P884 HydrophobicContact CD1-CG 4.28Å; Y751-P884 HydrophobicContact CE1-CG 3.84Å; Y751-C896 HydrophobicContact CE2-CB 4.02Å; Y751-C896 WeakPolarHBondContact OH-CB 3.43Å
752	L	96.4	Very high	91	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	16%	0.163	C	C	.	.	S	Bend	trans	-72.8	-54.1	178.7	-54.3	-171.2	0	0	0	110.9	F482 Q485 L486 E489 K600 L609 Y613 M736 V741	F482-L752 HydrophobicContact CD2-CD1 3.78Å; F482-L752 HydrophobicContact CD2-CD2 4.1Å; F482-L752 HydrophobicContact CE2-CD1 3.67Å; F482-L752 HydrophobicContact CE2-CD2 3.98Å; F482-L752 HydrophobicContact CE2-CG 4.39Å; F482-L752 HydrophobicContact CZ-CD1 4.46Å; Q485-L752 HydrophobicContact CB-CD1 3.93Å; Q485-L752 HydrophobicContact CG-CD1 3.58Å; Q485-L752 HydrophobicContact CG-CG 3.86Å; L486-L752 HydrophobicContact CB-CD1 3.99Å; L486-L752 HydrophobicContact CD1-CB 4.43Å; L486-L752 HydrophobicContact CD1-CD1 4.08Å; E489-L752 PolarHBondContact OE1-N 3.02Å; E489-L752 PolarHBondContact OE2-N 2.86Å; K600-L752 PolarHBondContact NZ-O 3.16Å; L609-L752 HydrophobicContact CD2-CB 4.21Å; L609-L752 WeakPolarHBondContact CD2-O 3.32Å; Y613-L752 HydrophobicContact CD2-CD2 4.45Å; Y613-L752 HydrophobicContact CE2-CD2 4.26Å; M736-L752 HydrophobicContact CE-CD2 4.07Å; M736-L752 HydrophobicContact CE-CG 4.14Å; V741-L752 HydrophobicContact CG2-CD2 3.7Å
753	L	94.3	Very high	89.7	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-117	-33.2	-172.5	-55.4	-177.3	0	0	0	112.3	L486 E489 Q490 V597 K600 V606 L609	L486-L753 HydrophobicContact CD1-CD1 3.77Å; L486-L753 HydrophobicContact CD1-CD2 4Å; L486-L753 HydrophobicContact CD1-CG 3.87Å; E489-L753 HydrophobicContact CB-CB 4.19Å; E489-L753 HydrophobicContact CB-CD1 4.37Å; E489-L753 HydrophobicContact CB-CG 4.39Å; E489-L753 PolarHBondContact OE2-N 3.11Å; Q490-L753 HydrophobicContact CG-CD1 3.58Å; V597-L753 HydrophobicContact CG1-CB 4.45Å; V597-L753 HydrophobicContact CG1-CD1 4.11Å; V597-L753 HydrophobicContact CG2-CB 4.04Å; K600-L753 HydrophobicContact CD-CB 4.42Å; K600-L753 HydrophobicContact CD-CD2 4.11Å; K600-L753 WeakPolarHBondContact CE-O 3.31Å; K600-L753 PolarHBondContact NZ-O 3.04Å; V606-L753 HydrophobicContact CG2-CD2 3.99Å; L609-L753 HydrophobicContact CD2-CD2 4.03Å
754	T	91.6	Very high	88.1	Confident	8 Å²	8	39.8 Å²	39.8	5%	0.049	22%	0.218	C	C	.	.	S	Bend	trans	-69.2	130.9	-178.6	-54.6	0	0	0	0	112.2	E489 T593 Y751 A756	E489-T754 PolarHBondContact OE2-N 3.34Å; E489-T754 PolarHBondContact OE2-OG1 3.5Å; T593-T754 HydrophobicContact CG2-CG2 4.01Å; Y751-T754 HydrophobicContact CD2-CG2 4.42Å; T754-A756 PolarHBondContact O-N 2.96Å
755	P	88	Confident	87.3	Confident	46 Å²	46	40.4 Å²	40.4	30%	0.299	23%	0.225	S	C	.	.			trans	-62.2	125.4	175.3	-23.1	33.8	0	0	0	112.5	C596	C596-P755 HydrophobicContact CB-CG 3.57Å
756	A	90.2	Very high	86.6	Confident	17 Å²	17	43.1 Å²	43.1	14%	0.14	24%	0.241	C	C	.	.			trans	-112	137.1	176.8	0	0	0	0	0	111.1	W743 A750 Y751 T754	W743-A756 HydrophobicContact CH2-CB 3.66Å; W743-A756 HydrophobicContact CZ2-CB 4.15Å; A750-A756 HydrophobicContact CB-CB 3.84Å; Y751-A756 HydrophobicContact CD2-CB 4.03Å; Y751-A756 HydrophobicContact CE2-CB 4.47Å; T754-A756 PolarHBondContact O-N 2.96Å
757	K	89.6	Confident	86.3	Confident	105 Å²	105	48 Å²	48	46%	0.457	26%	0.264	S	S	.	.			trans	-93.2	125.4	168.9	-64.4	-162.1	169.6	-156.2	0	110.5	M759 E769 N886	K757-M759 PolarHBondContact O-N 3.4Å; K757-E769 WeakPolarHBondContact CD-OE1 3.39Å; K757-E769 IonicContact NZ-OE1 3.2Å; K757-E769 PolarHBondContact NZ-OE1 2.97Å; K757-E769 IonicContact NZ-OE2 2.77Å; K757-E769 PolarHBondContact NZ-OE2 3.11Å; K757-N886 WeakPolarHBondContact O-CB 3.29Å; K757-N886 PolarHBondContact O-ND2 2.93Å; K757-N886 VanDerWaalsContact O-ND2 3.08Å
758	L	92.8	Very high	86.2	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.258	C	S	.	.	S	Bend	trans	-55.6	-38.8	172.7	-174.4	84.7	0	0	0	111.4	W743 E746 L772 F782 L785 N886 M887	W743-L758 HydrophobicContact CD2-CD1 3.67Å; W743-L758 HydrophobicContact CE3-CB 4.41Å; W743-L758 HydrophobicContact CE3-CD1 3.68Å; W743-L758 HydrophobicContact CG-CD1 4.12Å; W743-L758 HydrophobicContact CH2-CB 4.18Å; W743-L758 HydrophobicContact CH2-CD1 4.48Å; W743-L758 HydrophobicContact CZ2-CD1 4.46Å; W743-L758 HydrophobicContact CZ3-CB 4Å; W743-L758 HydrophobicContact CZ3-CD1 4.11Å; E746-L758 HydrophobicContact CB-CD2 4.15Å; L758-L772 HydrophobicContact CD2-CD1 4.16Å; L758-L772 HydrophobicContact CD2-CD2 4.05Å; L758-F782 HydrophobicContact CD1-CD1 3.85Å; L758-F782 HydrophobicContact CD1-CE1 3.81Å; L758-F782 HydrophobicContact CD2-CE1 3.87Å; L758-L785 HydrophobicContact CD1-CD1 3.57Å; L758-L785 HydrophobicContact CG-CD1 4.44Å; L758-N886 WeakPolarHBondContact O-CB 3.49Å; L758-M887 WeakPolarHBondContact O-CG 3.47Å; L758-M887 PolarHBondContact O-N 3.35Å
759	M	92.1	Very high	85.7	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.1	-178.4	-170.7	-179.5	-75.8	0	0	112.1	K757 A761 H768 L772 M887 F889	K757-M759 PolarHBondContact O-N 3.4Å; M759-A761 PolarHBondContact O-N 2.94Å; M759-H768 HydrophobicContact SD-CB 3.58Å; M759-H768 VanDerWaalsContact SD-CB 3.58Å; M759-L772 HydrophobicContact CB-CD1 3.84Å; M759-L772 HydrophobicContact CE-CD1 4.12Å; M759-L772 HydrophobicContact CE-CD2 4.23Å; M759-L772 HydrophobicContact CE-CG 4.42Å; M759-L772 HydrophobicContact SD-CD1 4.38Å; M759-M887 CarbonylContact C-O 3.56Å; M759-M887 VanDerWaalsContact CA-O 3.31Å; M759-M887 WeakPolarHBondContact CA-O 3.36Å; M759-M887 HydrophobicContact CE-CE 3.45Å; M759-M887 VanDerWaalsContact CE-CE 3.45Å; M759-F889 HydrophobicContact SD-CB 4.05Å
760	R	88.6	Confident	85.3	Confident	96 Å²	96	51.3 Å²	51.3	36%	0.362	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	101.4	171.4	-59.9	-173.8	-166.3	-140.7	-4.5	109.9	N886 M887 Y894 P895	R760-N886 PolarHBondContact NE-OD1 3.15Å; R760-N886 PolarHBondContact NH2-OD1 2.84Å; R760-M887 PolarHBondContact N-O 3.48Å; R760-Y894 VanDerWaalsContact NH2-CB 3.34Å; R760-Y894 PolarHBondContact NH2-O 2.81Å; R760-P895 VanDerWaalsContact NH2-C 3.3Å; R760-P895 PolarHBondContact NH2-O 2.62Å
761	A	79.6	Confident	84.9	Confident	35 Å²	35	56.8 Å²	56.8	29%	0.289	31%	0.308	S	S	.	.			trans	-101.3	159.6	169.5	0	0	0	0	0	111.4	M759 A765	M759-A761 PolarHBondContact O-N 2.94Å; A761-A765 HydrophobicContact CB-CB 4.46Å
762	T	76.3	Confident	84.5	Confident	114 Å²	114	56.7 Å²	56.7	70%	0.699	31%	0.308	S	S	*	.			trans	-68.5	138.4	167.4	47.9	0	0	0	0	110.2	G764 A765	T762-G764 PolarHBondContact O-N 2.86Å; T762-A765 VanDerWaalsContact O-CB 3.3Å; T762-A765 WeakPolarHBondContact O-CB 3.44Å; T762-A765 PolarHBondContact O-N 2.89Å
763	H	69.9	Low	83.9	Confident	129 Å²	129	61.3 Å²	61.3	60%	0.597	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	120.8	179.4	-62	109.6	0	0	0	113.3	H585 Y657	H585-H763 AromaticContact CE1-CD2 3.47Å; H585-H763 PolarHBondContact CE1-CD2 3.03Å; H585-H763 VanDerWaalsContact CE1-CD2 3.47Å; H585-H763 AromaticContact CE1-NE2 3.24Å; H585-H763 PolarHBondContact CE1-NE2 3.3Å; H585-H763 AromaticContact ND1-NE2 3.92Å; H585-H763 AromaticContact NE2-CD2 3.49Å; H585-H763 PolarHBondContact NE2-CD2 3.49Å; H585-H763 AromaticContact NE2-NE2 3.78Å; Y657-H763 HydrophobicContact CD2-CB 3.91Å; Y657-H763 HydrophobicContact CE1-CB 4.48Å; Y657-H763 HydrophobicContact CE2-CB 3.48Å; Y657-H763 VanDerWaalsContact CE2-CB 3.48Å
764	G	64.8	Low	83.4	Confident	54 Å²	54	68 Å²	68	56%	0.557	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	0.1	-177.1	0	0	0	0	0	116.1	T762 T766	T762-G764 PolarHBondContact O-N 2.86Å; G764-T766 PolarHBondContact O-N 3.47Å
765	A	74.1	Confident	83.1	Confident	31 Å²	31	70.1 Å²	70.1	26%	0.256	37%	0.374	S	S	.	.			trans	-95	85.7	177.1	0	0	0	0	0	112.5	A761 T762	A761-A765 HydrophobicContact CB-CB 4.46Å; T762-A765 VanDerWaalsContact O-CB 3.3Å; T762-A765 WeakPolarHBondContact O-CB 3.44Å; T762-A765 PolarHBondContact O-N 2.89Å
766	T	75.6	Confident	82.4	Confident	63 Å²	63	73 Å²	73	39%	0.387	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-72.3	-24.2	-179.9	56.6	0	0	0	0	114.3	G764 H768 E769 E770	G764-T766 PolarHBondContact O-N 3.47Å; T766-H768 PolarHBondContact O-N 3.19Å; T766-E769 WeakPolarHBondContact O-CA 3.42Å; T766-E769 WeakPolarHBondContact O-CB 3.46Å; T766-E769 PolarHBondContact O-N 3.06Å; T766-E770 WeakPolarHBondContact CB-OE1 3.39Å; T766-E770 PolarHBondContact O-N 2.87Å; T766-E770 PolarHBondContact OG1-OE1 3.27Å
767	Q	83.1	Confident	82.1	Confident	138 Å²	138	74 Å²	74	65%	0.645	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-51.3	-33.8	-170.8	-63.2	176.5	-0.8	0	0	114.5	L771	Q767-L771 WeakPolarHBondContact O-CB 3.38Å; Q767-L771 WeakPolarHBondContact O-CD1 3.46Å; Q767-L771 VanDerWaalsContact O-CG 3.22Å; Q767-L771 WeakPolarHBondContact O-CG 3.44Å; Q767-L771 PolarHBondContact O-N 3.34Å
768	H	85.1	Confident	82.2	Confident	68 Å²	68	70.2 Å²	70.2	32%	0.315	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-76.6	-37	176.9	-75.6	-56	0	0	0	113.1	M759 T766 L771 L772	M759-H768 HydrophobicContact SD-CB 3.58Å; M759-H768 VanDerWaalsContact SD-CB 3.58Å; T766-H768 PolarHBondContact O-N 3.19Å; H768-L771 PolarHBondContact O-N 2.88Å; H768-L772 WeakPolarHBondContact O-CG 3.45Å; H768-L772 PolarHBondContact O-N 2.99Å
769	E	81.4	Confident	82.1	Confident	47 Å²	47	73.1 Å²	73.1	22%	0.22	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-47.2	176.4	-65.4	164.2	-159.8	0	0	108.9	K757 T766 L771 L772 E773	K757-E769 WeakPolarHBondContact CD-OE1 3.39Å; K757-E769 IonicContact NZ-OE1 3.2Å; K757-E769 PolarHBondContact NZ-OE1 2.97Å; K757-E769 IonicContact NZ-OE2 2.77Å; K757-E769 PolarHBondContact NZ-OE2 3.11Å; T766-E769 WeakPolarHBondContact O-CA 3.42Å; T766-E769 WeakPolarHBondContact O-CB 3.46Å; T766-E769 PolarHBondContact O-N 3.06Å; E769-L771 PolarHBondContact O-N 3.46Å; E769-L771 VanDerWaalsContact O-N 3.14Å; E769-L772 PolarHBondContact O-N 3.02Å; E769-L772 VanDerWaalsContact O-N 3.13Å; E769-E773 WeakPolarHBondContact O-CG 3.07Å; E769-E773 PolarHBondContact O-N 2.71Å
770	E	83.8	Confident	82.1	Confident	82 Å²	82	74 Å²	74	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-23.6	173	-68.7	174	-122.8	0	0	114.6	T766 K774	T766-E770 WeakPolarHBondContact CB-OE1 3.39Å; T766-E770 PolarHBondContact O-N 2.87Å; T766-E770 PolarHBondContact OG1-OE1 3.27Å; E770-K774 WeakPolarHBondContact O-CD 3.14Å; E770-K774 VanDerWaalsContact O-CG 3.29Å; E770-K774 WeakPolarHBondContact O-CG 3.18Å; E770-K774 PolarHBondContact O-NZ 2.66Å
771	L	88.4	Confident	82.4	Confident	116 Å²	116	71.7 Å²	71.7	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-90.7	-30.3	177.2	-78.1	170.4	0	0	0	112.5	Q767 H768 E769 K774 C775	Q767-L771 WeakPolarHBondContact O-CB 3.38Å; Q767-L771 WeakPolarHBondContact O-CD1 3.46Å; Q767-L771 VanDerWaalsContact O-CG 3.22Å; Q767-L771 WeakPolarHBondContact O-CG 3.44Å; Q767-L771 PolarHBondContact O-N 3.34Å; H768-L771 PolarHBondContact O-N 2.88Å; E769-L771 PolarHBondContact O-N 3.46Å; E769-L771 VanDerWaalsContact O-N 3.14Å; L771-K774 PolarHBondContact O-N 2.93Å; L771-C775 PolarHBondContact O-N 2.7Å
772	L	88.3	Confident	83.1	Confident	19 Å²	19	70.4 Å²	70.4	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-67.1	-44.4	172.3	-70.9	164.3	0	0	0	110.7	E746 L758 M759 H768 E769 K774 C775 L778	E746-L772 HydrophobicContact CB-CB 3.93Å; E746-L772 HydrophobicContact CG-CB 4.06Å; L758-L772 HydrophobicContact CD2-CD1 4.16Å; L758-L772 HydrophobicContact CD2-CD2 4.05Å; M759-L772 HydrophobicContact CB-CD1 3.84Å; M759-L772 HydrophobicContact CE-CD1 4.12Å; M759-L772 HydrophobicContact CE-CD2 4.23Å; M759-L772 HydrophobicContact CE-CG 4.42Å; M759-L772 HydrophobicContact SD-CD1 4.38Å; H768-L772 WeakPolarHBondContact O-CG 3.45Å; H768-L772 PolarHBondContact O-N 2.99Å; E769-L772 PolarHBondContact O-N 3.02Å; E769-L772 VanDerWaalsContact O-N 3.13Å; L772-K774 PolarHBondContact O-N 2.72Å; L772-C775 VanDerWaalsContact O-CB 3.31Å; L772-C775 WeakPolarHBondContact O-CB 3.22Å; L772-C775 PolarHBondContact O-N 3.3Å; L772-L778 HydrophobicContact CB-CD1 4.45Å; L772-L778 HydrophobicContact CD2-CD1 3.83Å; L772-L778 HydrophobicContact CD2-CD2 4.47Å
773	E	83.6	Confident	84	Confident	99 Å²	99	65.7 Å²	65.7	46%	0.463	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.1	174.1	-71.2	175.4	171.6	0	0	114	E746 K747 E769	E746-E773 HydrophobicContact CG-CG 4.24Å; K747-E773 WeakPolarHBondContact CE-OE1 3.15Å; K747-E773 VanDerWaalsContact NZ-CD 3.34Å; K747-E773 IonicContact NZ-OE1 2.66Å; K747-E773 PolarHBondContact NZ-OE1 2.8Å; E769-E773 WeakPolarHBondContact O-CG 3.07Å; E769-E773 PolarHBondContact O-N 2.71Å
774	K	84.9	Confident	85.2	Confident	141 Å²	141	62.5 Å²	62.5	61%	0.613	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.7	179.8	-65.3	178.9	-171.4	77.7	0	112.9	E770 L771 L772	E770-K774 WeakPolarHBondContact O-CD 3.14Å; E770-K774 VanDerWaalsContact O-CG 3.29Å; E770-K774 WeakPolarHBondContact O-CG 3.18Å; E770-K774 PolarHBondContact O-NZ 2.66Å; L771-K774 PolarHBondContact O-N 2.93Å; L772-K774 PolarHBondContact O-N 2.72Å
775	C	83.9	Confident	86.8	Confident	54 Å²	54	60 Å²	60	37%	0.365	32%	0.321	S	S	.	.			trans	-84.7	121.2	-179.3	-166.7	0	0	0	0	109.9	L771 L772 N777 L778	L771-C775 PolarHBondContact O-N 2.7Å; L772-C775 VanDerWaalsContact O-CB 3.31Å; L772-C775 WeakPolarHBondContact O-CB 3.22Å; L772-C775 PolarHBondContact O-N 3.3Å; C775-N777 PolarHBondContact O-N 3.34Å; C775-L778 HydrophobicContact CB-CD1 4.14Å; C775-L778 HydrophobicContact CB-CD2 4.18Å; C775-L778 HydrophobicContact CB-CG 4.03Å
776	P	74.9	Confident	87.9	Confident	107 Å²	107	58.7 Å²	58.7	70%	0.695	31%	0.31	S	S	*	.	S	Bend	trans	-67.7	-33.9	-171.7	25.1	-34	0	0	0	113.5	Q450	Q450-P776 VanDerWaalsContact CD-O 3.29Å; Q450-P776 PolarHBondContact NE2-O 2.83Å; Q450-P776 PolarHBondContact OE1-O 3.37Å; Q450-P776 VanDerWaalsContact OE1-O 3.12Å
777	N	83.5	Confident	88.9	Confident	38 Å²	38	62.5 Å²	62.5	20%	0.203	32%	0.323	C	S	.	.			trans	-139.7	119.4	-176.9	-173.7	-17.1	0	0	0	110.9	Q450 C775 H779	Q450-N777 VanDerWaalsContact OE1-CB 3.27Å; C775-N777 PolarHBondContact O-N 3.34Å; N777-H779 WeakPolarHBondContact OD1-CB 3.33Å; N777-H779 PolarHBondContact OD1-N 3.39Å; N777-H779 PolarHBondContact OD1-ND1 2.78Å
778	L	90.4	Very high	89.6	Confident	25 Å²	25	59.1 Å²	59.1	13%	0.131	31%	0.31	C	S	.	.			trans	-122.6	7.5	174.6	-70.8	174.9	0	0	0	112.8	L772 C775 P780 V781 F782	L772-L778 HydrophobicContact CB-CD1 4.45Å; L772-L778 HydrophobicContact CD2-CD1 3.83Å; L772-L778 HydrophobicContact CD2-CD2 4.47Å; C775-L778 HydrophobicContact CB-CD1 4.14Å; C775-L778 HydrophobicContact CB-CD2 4.18Å; C775-L778 HydrophobicContact CB-CG 4.03Å; L778-P780 VanDerWaalsContact C-CD 3.41Å; L778-V781 HydrophobicContact CD2-CG2 4.42Å; L778-V781 WeakPolarHBondContact O-CA 3.45Å; L778-V781 WeakPolarHBondContact O-CB 3.4Å; L778-V781 PolarHBondContact O-N 3.14Å; L778-F782 HydrophobicContact CB-CD1 4.4Å; L778-F782 HydrophobicContact CB-CD2 4.3Å; L778-F782 HydrophobicContact CB-CE1 3.81Å; L778-F782 HydrophobicContact CB-CE2 3.71Å; L778-F782 HydrophobicContact CB-CZ 3.42Å; L778-F782 VanDerWaalsContact CB-CZ 3.42Å; L778-F782 HydrophobicContact CD1-CE1 4.26Å; L778-F782 HydrophobicContact CD1-CZ 3.97Å; L778-F782 HydrophobicContact CG-CZ 4.35Å; L778-F782 PolarHBondContact O-N 2.99Å; L778-F782 VanDerWaalsContact O-N 3.09Å
779	H	91.3	Very high	90.2	Very high	62 Å²	62	56 Å²	56	29%	0.287	30%	0.296	S	S	.	.	H	α-helix	trans	-50.3	-42.9	-175.7	-59.6	149.3	0	0	0	114.5	Y460 R632 N777 V781 F782 D783	Y460-H779 PolarHBondContact OH-O 3.45Å; R632-H779 PolarHBondContact NH1-CD2 3.21Å; N777-H779 WeakPolarHBondContact OD1-CB 3.33Å; N777-H779 PolarHBondContact OD1-N 3.39Å; N777-H779 PolarHBondContact OD1-ND1 2.78Å; H779-V781 VanDerWaalsContact C-N 3.26Å; H779-V781 PolarHBondContact O-N 2.9Å; H779-F782 PolarHBondContact O-N 3.42Å; H779-D783 WeakPolarHBondContact O-CB 3.48Å; H779-D783 VanDerWaalsContact O-CG 3.23Å; H779-D783 PolarHBondContact O-N 3.02Å
780	P	92.3	Very high	90.9	Very high	35 Å²	35	54.1 Å²	54.1	23%	0.227	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-28	179.3	-18.6	32.2	0	0	0	113.4	V456 Y460 L778 S784	V456-P780 HydrophobicContact CG1-CB 4.45Å; V456-P780 HydrophobicContact CG2-CB 4.46Å; V456-P780 HydrophobicContact CG2-CG 3.87Å; Y460-P780 HydrophobicContact CE2-CG 4.1Å; Y460-P780 VanDerWaalsContact OH-CA 3.3Å; Y460-P780 WeakPolarHBondContact OH-CA 3.45Å; L778-P780 VanDerWaalsContact C-CD 3.41Å; P780-S784 VanDerWaalsContact O-CB 3.3Å; P780-S784 WeakPolarHBondContact O-CB 3.36Å; P780-S784 PolarHBondContact O-N 2.99Å; P780-S784 PolarHBondContact O-OG 3.42Å
781	V	94.1	Very high	91.5	Very high	48 Å²	48	52.1 Å²	52.1	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-74.9	-45.4	176.2	-177.3	0	0	0	0	109.7	L778 H779 S784 L785 M887	L778-V781 HydrophobicContact CD2-CG2 4.42Å; L778-V781 WeakPolarHBondContact O-CA 3.45Å; L778-V781 WeakPolarHBondContact O-CB 3.4Å; L778-V781 PolarHBondContact O-N 3.14Å; H779-V781 VanDerWaalsContact C-N 3.26Å; H779-V781 PolarHBondContact O-N 2.9Å; V781-S784 PolarHBondContact O-N 2.64Å; V781-L785 HydrophobicContact CG1-CD1 4.26Å; V781-L785 WeakPolarHBondContact O-CG 3.43Å; V781-L785 PolarHBondContact O-N 3.39Å; V781-M887 HydrophobicContact CG1-CE 4.48Å; V781-M887 HydrophobicContact CG1-SD 3.59Å; V781-M887 VanDerWaalsContact CG1-SD 3.59Å
782	F	95.6	Very high	91.9	Very high	8 Å²	8	47 Å²	47	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-51.4	175.6	-58.6	-27.1	0	0	0	111.4	W743 T744 S745 L758 L778 H779 S784 L785 N786	W743-F782 HydrophobicContact CB-CB 3.9Å; W743-F782 HydrophobicContact CB-CD1 3.95Å; W743-F782 HydrophobicContact CB-CG 4.09Å; W743-F782 WeakPolarHBondContact O-CB 3.44Å; T744-F782 VanDerWaalsContact O-CE2 3.25Å; T744-F782 WeakPolarHBondContact O-CE2 3.5Å; S745-F782 VanDerWaalsContact C-CZ 3.43Å; S745-F782 VanDerWaalsContact CA-CZ 3.49Å; L758-F782 HydrophobicContact CD1-CD1 3.85Å; L758-F782 HydrophobicContact CD1-CE1 3.81Å; L758-F782 HydrophobicContact CD2-CE1 3.87Å; L778-F782 HydrophobicContact CB-CD1 4.4Å; L778-F782 HydrophobicContact CB-CD2 4.3Å; L778-F782 HydrophobicContact CB-CE1 3.81Å; L778-F782 HydrophobicContact CB-CE2 3.71Å; L778-F782 HydrophobicContact CB-CZ 3.42Å; L778-F782 VanDerWaalsContact CB-CZ 3.42Å; L778-F782 HydrophobicContact CD1-CE1 4.26Å; L778-F782 HydrophobicContact CD1-CZ 3.97Å; L778-F782 HydrophobicContact CG-CZ 4.35Å; L778-F782 PolarHBondContact O-N 2.99Å; L778-F782 VanDerWaalsContact O-N 3.09Å; H779-F782 PolarHBondContact O-N 3.42Å; F782-S784 VanDerWaalsContact C-N 3.3Å; F782-S784 PolarHBondContact O-N 2.85Å; F782-L785 PolarHBondContact O-N 2.78Å; F782-L785 VanDerWaalsContact O-N 3.09Å; F782-N786 WeakPolarHBondContact O-CB 3.47Å; F782-N786 PolarHBondContact O-N 2.68Å; F782-N786 PolarHBondContact O-ND2 3.08Å; F782-N786 PolarHBondContact O-OD1 3.43Å
783	D	94.9	Very high	92.4	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-36.1	-178.2	-64.2	-29.7	0	0	0	111.9	Y460 R632 H779 N786 Q787	Y460-D783 VanDerWaalsContact CE1-OD2 3.31Å; Y460-D783 WeakPolarHBondContact CE1-OD2 3.32Å; Y460-D783 PolarHBondContact OH-OD2 2.9Å; R632-D783 VanDerWaalsContact CB-OD1 3.27Å; R632-D783 WeakPolarHBondContact CB-OD1 3.33Å; R632-D783 IonicContact CZ-OD1 3.56Å; R632-D783 IonicContact CZ-OD2 3.52Å; R632-D783 IonicContact NE-OD1 3.43Å; R632-D783 PolarHBondContact NE-OD1 2.81Å; R632-D783 IonicContact NE-OD2 3.58Å; R632-D783 PolarHBondContact NE-OD2 3.11Å; R632-D783 IonicContact NH2-OD1 3.54Å; R632-D783 PolarHBondContact NH2-OD1 3.47Å; R632-D783 IonicContact NH2-OD2 2.79Å; R632-D783 PolarHBondContact NH2-OD2 3.08Å; H779-D783 WeakPolarHBondContact O-CB 3.48Å; H779-D783 VanDerWaalsContact O-CG 3.23Å; H779-D783 PolarHBondContact O-N 3.02Å; D783-N786 PolarHBondContact O-N 2.78Å; D783-Q787 PolarHBondContact O-N 3.43Å
784	S	95.9	Very high	93.1	Very high	63 Å²	63	46.5 Å²	46.5	44%	0.441	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-44.2	171.7	-62.1	0	0	0	0	112.7	P780 V781 F782 N786 L788	P780-S784 VanDerWaalsContact O-CB 3.3Å; P780-S784 WeakPolarHBondContact O-CB 3.36Å; P780-S784 PolarHBondContact O-N 2.99Å; P780-S784 PolarHBondContact O-OG 3.42Å; V781-S784 PolarHBondContact O-N 2.64Å; F782-S784 VanDerWaalsContact C-N 3.3Å; F782-S784 PolarHBondContact O-N 2.85Å; S784-N786 VanDerWaalsContact C-N 3.33Å; S784-L788 WeakPolarHBondContact O-CG 3.48Å; S784-L788 PolarHBondContact O-N 2.72Å
785	L	97.9	Very high	93.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-36.5	176.1	-73.3	169.9	0	0	0	111.5	L758 V781 F782 L788 S789 H885 T893	L758-L785 HydrophobicContact CD1-CD1 3.57Å; L758-L785 HydrophobicContact CG-CD1 4.44Å; V781-L785 HydrophobicContact CG1-CD1 4.26Å; V781-L785 WeakPolarHBondContact O-CG 3.43Å; V781-L785 PolarHBondContact O-N 3.39Å; F782-L785 PolarHBondContact O-N 2.78Å; F782-L785 VanDerWaalsContact O-N 3.09Å; L785-L788 PolarHBondContact O-N 2.81Å; L785-S789 VanDerWaalsContact O-CB 3.24Å; L785-S789 WeakPolarHBondContact O-CB 3.45Å; L785-S789 PolarHBondContact O-N 2.93Å; L785-S789 PolarHBondContact O-OG 3.48Å; L785-H885 HydrophobicContact CD2-CB 3.81Å; L785-T893 HydrophobicContact CD2-CG2 3.67Å
786	N	97.5	Very high	94.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-43.6	178.6	-64.9	-18.6	0	0	0	111.2	P742 W743 F782 D783 S784 L788 S789 N790	P742-N786 WeakPolarHBondContact CA-OD1 3.28Å; W743-N786 WeakPolarHBondContact CB-OD1 3.1Å; W743-N786 PolarHBondContact N-ND2 3.46Å; W743-N786 PolarHBondContact N-OD1 3.14Å; W743-N786 PolarHBondContact O-ND2 3.06Å; F782-N786 WeakPolarHBondContact O-CB 3.47Å; F782-N786 PolarHBondContact O-N 2.68Å; F782-N786 PolarHBondContact O-ND2 3.08Å; F782-N786 PolarHBondContact O-OD1 3.43Å; D783-N786 PolarHBondContact O-N 2.78Å; S784-N786 VanDerWaalsContact C-N 3.33Å; N786-L788 PolarHBondContact O-N 3.49Å; N786-S789 PolarHBondContact O-N 3.34Å; N786-S789 VanDerWaalsContact O-N 3.15Å; N786-N790 WeakPolarHBondContact O-CB 3.3Å; N786-N790 PolarHBondContact O-N 3.31Å
787	Q	96	Very high	95.6	Very high	143 Å²	143	37.3 Å²	37.3	67%	0.668	19%	0.193	S	C	*	.	H	α-helix	trans	-61	-43.3	174.9	-169.5	179.8	24.6	0	0	112.2	D783 S789	D783-Q787 PolarHBondContact O-N 3.43Å; Q787-S789 VanDerWaalsContact C-N 3.3Å; Q787-S789 PolarHBondContact O-N 3.46Å
788	L	97.3	Very high	96.3	Very high	68 Å²	68	38.7 Å²	38.7	36%	0.356	20%	0.204	S	C	.	.	H	α-helix	trans	-65.9	-33.2	174.7	-68.5	172.4	0	0	0	112.6	S784 L785 N786 H885 T893	S784-L788 WeakPolarHBondContact O-CG 3.48Å; S784-L788 PolarHBondContact O-N 2.72Å; L785-L788 PolarHBondContact O-N 2.81Å; N786-L788 PolarHBondContact O-N 3.49Å; L788-H885 HydrophobicContact CB-CB 4.46Å; L788-H885 PolarHBondContact O-CE1 2.86Å; L788-H885 PolarHBondContact O-ND1 3.36Å; L788-T893 HydrophobicContact CD1-CG2 3.71Å
789	S	97.6	Very high	96.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-78.5	-32.2	-177.5	-59.7	0	0	0	0	113.4	P740 L785 N786 Q787 C791 F883 H885	P740-S789 WeakPolarHBondContact CD-O 3.14Å; L785-S789 VanDerWaalsContact O-CB 3.24Å; L785-S789 WeakPolarHBondContact O-CB 3.45Å; L785-S789 PolarHBondContact O-N 2.93Å; L785-S789 PolarHBondContact O-OG 3.48Å; N786-S789 PolarHBondContact O-N 3.34Å; N786-S789 VanDerWaalsContact O-N 3.15Å; Q787-S789 VanDerWaalsContact C-N 3.3Å; Q787-S789 PolarHBondContact O-N 3.46Å; S789-C791 VanDerWaalsContact C-N 3.26Å; S789-C791 PolarHBondContact O-N 2.95Å; S789-F883 WeakPolarHBondContact CA-O 3.36Å; S789-H885 PolarHBondContact OG-N 3.41Å
790	N	96.4	Very high	97	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	18%	0.184	C	C	.	.	S	Bend	trans	-76.3	-8.7	177.8	-76.4	-13.4	0	0	0	113.8	Y468 N786 A792 W882	Y468-N790 PolarHBondContact OH-ND2 3.21Å; N786-N790 WeakPolarHBondContact O-CB 3.3Å; N786-N790 PolarHBondContact O-N 3.31Å; N790-A792 PolarHBondContact O-N 3.15Å; N790-W882 PolarHBondContact O-NE1 2.94Å
791	C	96.6	Very high	97.3	Very high	39 Å²	39	35.8 Å²	35.8	26%	0.264	19%	0.189	S	C	.	.			trans	-63.8	115.7	173.4	-175.4	0	0	0	0	110.8	S789 W793	S789-C791 VanDerWaalsContact C-N 3.26Å; S789-C791 PolarHBondContact O-N 2.95Å; C791-W793 PolarHBondContact O-NE1 3.06Å; C791-W793 PolarHBondContact SG-NE1 2.91Å; C791-W793 VanDerWaalsContact SG-NE1 3.43Å
792	A	97.7	Very high	97.5	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.4	178.6	0	0	0	0	0	111.8	N790 W882 A915	N790-A792 PolarHBondContact O-N 3.15Å; A792-W882 HydrophobicContact CB-CD2 4.44Å; A792-W882 HydrophobicContact CB-CZ2 3.76Å; A792-A915 HydrophobicContact CB-CB 3.64Å; A792-A915 PolarHBondContact O-N 3Å
793	W	98.6	Very high	97.6	Very high	21 Å²	21	34.3 Å²	34.3	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.7	-175.4	-64.7	82.8	0	0	0	111.7	C791 L880 F881 F883 H902 L912 F914 P1005	C791-W793 PolarHBondContact O-NE1 3.06Å; C791-W793 PolarHBondContact SG-NE1 2.91Å; C791-W793 VanDerWaalsContact SG-NE1 3.43Å; W793-L880 WeakPolarHBondContact O-CA 3.49Å; W793-F881 HydrophobicContact CB-CD2 3.94Å; W793-F881 HydrophobicContact CB-CE2 3.59Å; W793-F881 HydrophobicContact CB-CZ 4.16Å; W793-F881 PolarHBondContact N-O 2.92Å; W793-F881 PolarHBondContact O-N 3.02Å; W793-F883 HydrophobicContact CB-CE2 4.19Å; W793-F883 AromaticContact CD1-CD2 3.48Å; W793-F883 VanDerWaalsContact CD1-CD2 3.48Å; W793-F883 AromaticContact CD1-CE2 3.86Å; W793-F883 HydrophobicContact CD2-CD2 4.32Å; W793-F883 HydrophobicContact CD2-CE2 4.15Å; W793-F883 AromaticContact CG-CD2 3.91Å; W793-F883 HydrophobicContact CG-CD2 3.91Å; W793-F883 AromaticContact CG-CE2 3.79Å; W793-F883 HydrophobicContact CG-CE2 3.79Å; W793-F883 AromaticContact NE1-CD2 3.66Å; W793-H902 HydrophobicContact CH2-CB 3.87Å; W793-H902 HydrophobicContact CZ2-CB 4.17Å; W793-H902 AromaticContact CZ2-CG 3.94Å; W793-H902 AromaticContact CZ2-ND1 3.67Å; W793-H902 HydrophobicContact CZ3-CB 4.27Å; W793-L912 HydrophobicContact CB-CD2 4.34Å; W793-L912 HydrophobicContact CE3-CB 3.93Å; W793-L912 HydrophobicContact CE3-CD2 4.32Å; W793-L912 HydrophobicContact CZ3-CB 4.09Å; W793-F914 HydrophobicContact CE3-CD1 4.48Å; W793-F914 HydrophobicContact CH2-CD1 4.29Å; W793-F914 AromaticContact CH2-CE1 3.83Å; W793-F914 HydrophobicContact CH2-CE1 3.83Å; W793-F914 HydrophobicContact CZ2-CD1 4.39Å; W793-F914 AromaticContact CZ2-CE1 3.95Å; W793-F914 HydrophobicContact CZ2-CE1 3.95Å; W793-F914 HydrophobicContact CZ3-CD1 4.32Å; W793-F914 HydrophobicContact CZ3-CE1 4.27Å; W793-P1005 HydrophobicContact CZ3-CG 4.17Å
794	R	98.3	Very high	97.7	Very high	86 Å²	86	34.7 Å²	34.7	33%	0.325	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163	170	72.2	-179.1	-170.4	177.5	3.9	111	L880 V913 H1003	R794-L880 HydrophobicContact CB-CD2 3.58Å; R794-V913 HydrophobicContact CG-CG2 3.58Å; R794-V913 PolarHBondContact N-O 3.22Å; R794-V913 PolarHBondContact O-N 3.02Å; R794-V913 VanDerWaalsContact O-N 3.11Å; R794-H1003 VanDerWaalsContact CZ-CE1 3.46Å; R794-H1003 PolarHBondContact NH1-CE1 3.3Å; R794-H1003 VanDerWaalsContact NH1-CE1 3.33Å; R794-H1003 PolarHBondContact NH2-CD2 3.33Å; R794-H1003 PolarHBondContact NH2-NE2 3Å
795	V	98.7	Very high	97.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136	175	169.7	0	0	0	0	111.1	K797 L800 M876 R877 F881 F900 T911	V795-K797 PolarHBondContact O-N 3.42Å; V795-L800 HydrophobicContact CG1-CB 4.05Å; V795-L800 HydrophobicContact CG1-CD2 3.68Å; V795-L800 HydrophobicContact CG1-CG 4.48Å; V795-M876 HydrophobicContact CG2-CB 4.37Å; V795-R877 HydrophobicContact CG1-CG 4.45Å; V795-F881 HydrophobicContact CG2-CE1 4.02Å; V795-F881 HydrophobicContact CG2-CZ 4.1Å; V795-F900 HydrophobicContact CG2-CZ 4.39Å; V795-T911 CarbonylContact C-O 3.54Å; V795-T911 WeakPolarHBondContact CA-O 3.26Å; V795-T911 HydrophobicContact CG1-CG2 4.26Å
796	N	98.5	Very high	97.6	Very high	25 Å²	25	36 Å²	36	13%	0.134	19%	0.188	C	C	.	.			trans	-80.4	92.2	167.6	-169.9	-7.5	0	0	0	109.5	I799 L800 A910 T911 V913	N796-I799 HydrophobicContact CB-CB 4.3Å; N796-I799 VanDerWaalsContact ND2-CG1 3.31Å; N796-I799 WeakPolarHBondContact ND2-CG1 3.19Å; N796-I799 PolarHBondContact O-N 2.95Å; N796-L800 PolarHBondContact O-N 3.37Å; N796-A910 VanDerWaalsContact CB-O 3.32Å; N796-A910 WeakPolarHBondContact CB-O 3.49Å; N796-A910 PolarHBondContact ND2-O 3.45Å; N796-A910 VanDerWaalsContact ND2-O 3.11Å; N796-T911 PolarHBondContact N-O 2.95Å; N796-V913 HydrophobicContact CB-CG1 4.23Å
797	K	98.3	Very high	97.5	Very high	80 Å²	80	35.9 Å²	35.9	35%	0.348	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-50.2	-167.9	-46.4	-174.1	-167.5	-178	0	113.8	V795 I799 L800 D801 R877 D878	V795-K797 PolarHBondContact O-N 3.42Å; K797-I799 VanDerWaalsContact C-N 3.27Å; K797-I799 PolarHBondContact O-N 2.82Å; K797-L800 PolarHBondContact O-N 3.06Å; K797-L800 VanDerWaalsContact O-N 3.1Å; K797-D801 WeakPolarHBondContact O-CB 3.48Å; K797-D801 PolarHBondContact O-N 3.2Å; K797-R877 HydrophobicContact CD-CG 4.14Å; K797-R877 VanDerWaalsContact CE-O 3.28Å; K797-R877 WeakPolarHBondContact CE-O 3.33Å; K797-R877 HydrophobicContact CG-CG 4.04Å; K797-D878 WeakPolarHBondContact CE-OD1 3.43Å; K797-D878 IonicContact NZ-OD1 2.63Å; K797-D878 PolarHBondContact NZ-OD1 3.29Å
798	P	97.9	Very high	97.4	Very high	67 Å²	67	31.5 Å²	31.5	44%	0.435	17%	0.169	S	C	.	.	H	α-helix	trans	-56.8	-40.6	-179.8	-25.3	35.4	0	0	0	112.9	D801 I802 M986	P798-D801 PolarHBondContact O-N 2.85Å; P798-I802 WeakPolarHBondContact O-CD1 3.33Å; P798-I802 VanDerWaalsContact O-CG1 3.25Å; P798-I802 WeakPolarHBondContact O-CG1 3.33Å; P798-I802 PolarHBondContact O-N 3.12Å; P798-I802 VanDerWaalsContact O-N 3.07Å; P798-M986 HydrophobicContact CB-CE 4.47Å; P798-M986 HydrophobicContact CB-SD 4.15Å
799	I	98.5	Very high	97.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-45.3	177.2	-64.7	-64	0	0	0	111.3	N796 K797 D801 I802 I803 A910 W979 L982 A983 M986	N796-I799 HydrophobicContact CB-CB 4.3Å; N796-I799 VanDerWaalsContact ND2-CG1 3.31Å; N796-I799 WeakPolarHBondContact ND2-CG1 3.19Å; N796-I799 PolarHBondContact O-N 2.95Å; K797-I799 VanDerWaalsContact C-N 3.27Å; K797-I799 PolarHBondContact O-N 2.82Å; I799-D801 VanDerWaalsContact C-N 3.31Å; I799-D801 PolarHBondContact O-N 3.14Å; I799-I802 PolarHBondContact O-N 2.85Å; I799-I803 HydrophobicContact CG2-CD1 3.57Å; I799-I803 HydrophobicContact CG2-CG1 4.44Å; I799-I803 WeakPolarHBondContact O-CB 3.39Å; I799-I803 WeakPolarHBondContact O-CD1 3.36Å; I799-I803 WeakPolarHBondContact O-CG1 3.49Å; I799-I803 PolarHBondContact O-N 3.03Å; I799-A910 HydrophobicContact CG2-CB 3.85Å; I799-W979 HydrophobicContact CG2-CE3 4.39Å; I799-L982 HydrophobicContact CD1-CB 4.26Å; I799-L982 HydrophobicContact CD1-CD2 3.67Å; I799-L982 HydrophobicContact CD1-CG 3.64Å; I799-A983 HydrophobicContact CD1-CB 3.88Å; I799-A983 HydrophobicContact CG1-CB 3.8Å; I799-M986 HydrophobicContact CD1-CE 4.25Å; I799-M986 HydrophobicContact CD1-SD 3.77Å; I799-M986 HydrophobicContact CG1-SD 4.21Å
800	L	98.4	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-42.2	176	-178.9	59.5	0	0	0	111.8	V795 N796 K797 I803 I804 L870 A873 H874 R877 T911	V795-L800 HydrophobicContact CG1-CB 4.05Å; V795-L800 HydrophobicContact CG1-CD2 3.68Å; V795-L800 HydrophobicContact CG1-CG 4.48Å; N796-L800 PolarHBondContact O-N 3.37Å; K797-L800 PolarHBondContact O-N 3.06Å; K797-L800 VanDerWaalsContact O-N 3.1Å; L800-I803 PolarHBondContact O-N 2.94Å; L800-I804 HydrophobicContact CD1-CD1 3.78Å; L800-I804 HydrophobicContact CD1-CG1 4Å; L800-I804 HydrophobicContact CD2-CD1 4.25Å; L800-I804 HydrophobicContact CG-CD1 3.71Å; L800-I804 HydrophobicContact CG-CG1 4.31Å; L800-I804 WeakPolarHBondContact O-CB 2.95Å; L800-I804 VanDerWaalsContact O-CG1 3.32Å; L800-I804 WeakPolarHBondContact O-CG1 3.49Å; L800-I804 PolarHBondContact O-N 3.3Å; L800-L870 HydrophobicContact CD1-CD2 3.88Å; L800-A873 HydrophobicContact CD1-CB 3.85Å; L800-A873 HydrophobicContact CD2-CB 3.97Å; L800-H874 HydrophobicContact CD2-CB 4.4Å; L800-R877 HydrophobicContact CD2-CG 4.46Å; L800-T911 HydrophobicContact CB-CG2 4.22Å; L800-T911 HydrophobicContact CD1-CG2 4.08Å
801	D	97.8	Very high	96.8	Very high	61 Å²	61	40.2 Å²	40.2	33%	0.326	21%	0.208	S	C	.	.	H	α-helix	trans	-66.7	-40.1	-177.4	-59.7	-24.6	0	0	0	111.1	K797 P798 I799 I804 S805 R877	K797-D801 WeakPolarHBondContact O-CB 3.48Å; K797-D801 PolarHBondContact O-N 3.2Å; P798-D801 PolarHBondContact O-N 2.85Å; I799-D801 VanDerWaalsContact C-N 3.31Å; I799-D801 PolarHBondContact O-N 3.14Å; D801-I804 PolarHBondContact O-N 3.26Å; D801-S805 WeakPolarHBondContact O-CB 3.41Å; D801-S805 PolarHBondContact O-N 2.89Å; D801-R877 VanDerWaalsContact CG-NH2 3.26Å; D801-R877 IonicContact OD1-CZ 2.72Å; D801-R877 IonicContact OD1-NE 3.86Å; D801-R877 PolarHBondContact OD1-NE 2.77Å; D801-R877 IonicContact OD1-NH2 2.62Å; D801-R877 PolarHBondContact OD1-NH2 3.29Å; D801-R877 IonicContact OD2-CZ 2.62Å; D801-R877 IonicContact OD2-NE 2.72Å; D801-R877 IonicContact OD2-NH2 2.77Å; D801-R877 PolarHBondContact OD2-NH2 2.85Å
802	I	97.9	Very high	96.6	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-43.9	172.5	-65.4	163.6	0	0	0	111.2	P798 I799 S805 I806 P965 L966 W979 L982 M986	P798-I802 WeakPolarHBondContact O-CD1 3.33Å; P798-I802 VanDerWaalsContact O-CG1 3.25Å; P798-I802 WeakPolarHBondContact O-CG1 3.33Å; P798-I802 PolarHBondContact O-N 3.12Å; P798-I802 VanDerWaalsContact O-N 3.07Å; I799-I802 PolarHBondContact O-N 2.85Å; I802-S805 WeakPolarHBondContact O-CB 3.41Å; I802-S805 PolarHBondContact O-N 3.32Å; I802-I806 PolarHBondContact O-N 2.73Å; I802-P965 HydrophobicContact CD1-CB 4.07Å; I802-P965 HydrophobicContact CD1-CG 3.89Å; I802-L966 HydrophobicContact CG2-CD1 4.28Å; I802-L966 HydrophobicContact CG2-CD2 3.98Å; I802-L966 HydrophobicContact CG2-CG 4.31Å; I802-W979 HydrophobicContact CB-CZ3 4.37Å; I802-W979 HydrophobicContact CG2-CH2 3.9Å; I802-W979 HydrophobicContact CG2-CZ3 3.73Å; I802-L982 HydrophobicContact CD1-CD2 4.32Å; I802-M986 HydrophobicContact CD1-CE 3.84Å
803	I	98	Very high	96.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-44.5	177.7	-68.1	159.8	0	0	0	110.8	I799 L800 S805 I806 F807 I817 L870 V907 W979	I799-I803 HydrophobicContact CG2-CD1 3.57Å; I799-I803 HydrophobicContact CG2-CG1 4.44Å; I799-I803 WeakPolarHBondContact O-CB 3.39Å; I799-I803 WeakPolarHBondContact O-CD1 3.36Å; I799-I803 WeakPolarHBondContact O-CG1 3.49Å; I799-I803 PolarHBondContact O-N 3.03Å; L800-I803 PolarHBondContact O-N 2.94Å; I803-S805 VanDerWaalsContact C-N 3.32Å; I803-S805 PolarHBondContact O-N 2.97Å; I803-I806 PolarHBondContact O-N 2.9Å; I803-F807 WeakPolarHBondContact O-CB 3.2Å; I803-F807 PolarHBondContact O-N 3.05Å; I803-I817 HydrophobicContact CB-CD1 4.32Å; I803-I817 HydrophobicContact CG1-CD1 4.45Å; I803-I817 HydrophobicContact CG2-CD1 3.89Å; I803-I817 HydrophobicContact CG2-CG1 4.49Å; I803-L870 HydrophobicContact CG2-CD1 3.91Å; I803-L870 HydrophobicContact CG2-CD2 3.52Å; I803-L870 HydrophobicContact CG2-CG 4.38Å; I803-V907 HydrophobicContact CD1-CG1 3.84Å; I803-V907 HydrophobicContact CG1-CG1 4.36Å; I803-V907 HydrophobicContact CG2-CG1 3.9Å; I803-W979 HydrophobicContact CD1-CD2 4.24Å; I803-W979 HydrophobicContact CD1-CE3 4Å; I803-W979 HydrophobicContact CD1-CZ3 4.36Å; I803-W979 HydrophobicContact CG1-CD2 3.94Å; I803-W979 HydrophobicContact CG1-CE3 3.61Å; I803-W979 HydrophobicContact CG1-CH2 3.74Å; I803-W979 HydrophobicContact CG1-CZ2 4.08Å; I803-W979 HydrophobicContact CG1-CZ3 3.5Å; I803-W979 VanDerWaalsContact CG1-CZ3 3.5Å
804	I	97.2	Very high	95.9	Very high	22 Å²	22	49.9 Å²	49.9	11%	0.113	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-37	176.8	-71.5	172.5	0	0	0	111.1	V499 L800 D801 F807 N808 H874	V499-I804 HydrophobicContact CB-CD1 4.18Å; V499-I804 HydrophobicContact CB-CG1 4.31Å; V499-I804 HydrophobicContact CB-CG2 4.38Å; V499-I804 HydrophobicContact CG1-CD1 3.64Å; V499-I804 HydrophobicContact CG1-CG1 4.25Å; L800-I804 HydrophobicContact CD1-CD1 3.78Å; L800-I804 HydrophobicContact CD1-CG1 4Å; L800-I804 HydrophobicContact CD2-CD1 4.25Å; L800-I804 HydrophobicContact CG-CD1 3.71Å; L800-I804 HydrophobicContact CG-CG1 4.31Å; L800-I804 WeakPolarHBondContact O-CB 2.95Å; L800-I804 VanDerWaalsContact O-CG1 3.32Å; L800-I804 WeakPolarHBondContact O-CG1 3.49Å; L800-I804 PolarHBondContact O-N 3.3Å; D801-I804 PolarHBondContact O-N 3.26Å; I804-F807 PolarHBondContact O-N 3.03Å; I804-N808 WeakPolarHBondContact CG2-ND2 3.37Å; I804-N808 WeakPolarHBondContact O-CB 3.21Å; I804-N808 PolarHBondContact O-N 3.35Å; I804-N808 PolarHBondContact O-ND2 2.97Å; I804-H874 HydrophobicContact CD1-CB 4.29Å
805	S	96.2	Very high	95.8	Very high	67 Å²	67	46 Å²	46	47%	0.469	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-53.8	175.1	-179	0	0	0	0	111.7	D801 I802 I803 F807 N808 D809	D801-S805 WeakPolarHBondContact O-CB 3.41Å; D801-S805 PolarHBondContact O-N 2.89Å; I802-S805 WeakPolarHBondContact O-CB 3.41Å; I802-S805 PolarHBondContact O-N 3.32Å; I803-S805 VanDerWaalsContact C-N 3.32Å; I803-S805 PolarHBondContact O-N 2.97Å; S805-F807 VanDerWaalsContact C-N 3.31Å; S805-F807 PolarHBondContact O-N 2.96Å; S805-N808 PolarHBondContact O-N 3.22Å; S805-D809 PolarHBondContact O-N 3.08Å; S805-D809 VanDerWaalsContact O-N 3.15Å
806	I	96.1	Very high	95.6	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-37.1	177.5	-60.5	-177.2	0	0	0	111.3	I802 I803 N808 D809 G811 L815 I817 L966 W979	I802-I806 PolarHBondContact O-N 2.73Å; I803-I806 PolarHBondContact O-N 2.9Å; I806-N808 VanDerWaalsContact C-N 3.31Å; I806-N808 PolarHBondContact O-N 3.31Å; I806-D809 PolarHBondContact O-N 3.27Å; I806-G811 VanDerWaalsContact O-CA 3.29Å; I806-G811 WeakPolarHBondContact O-CA 3.41Å; I806-G811 PolarHBondContact O-N 3.19Å; I806-L815 HydrophobicContact CD1-CD1 3.91Å; I806-I817 HydrophobicContact CB-CD1 3.82Å; I806-I817 HydrophobicContact CD1-CD1 4.46Å; I806-I817 HydrophobicContact CG2-CB 4.3Å; I806-I817 HydrophobicContact CG2-CD1 3.86Å; I806-I817 HydrophobicContact CG2-CG2 4.15Å; I806-L966 HydrophobicContact CD1-CD2 3.98Å; I806-L966 HydrophobicContact CG1-CD2 4.5Å; I806-W979 HydrophobicContact CD1-CH2 3.87Å; I806-W979 HydrophobicContact CD1-CZ2 4.24Å
807	F	96	Very high	95.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-36.3	176	179.9	-91.7	0	0	0	112.4	V499 E500 I803 I804 S805 I817 P818 R863 A866 L867 L870	V499-F807 HydrophobicContact CG2-CD1 4.44Å; V499-F807 HydrophobicContact CG2-CE1 4.2Å; E500-F807 HydrophobicContact CB-CE1 4.42Å; I803-F807 WeakPolarHBondContact O-CB 3.2Å; I803-F807 PolarHBondContact O-N 3.05Å; I804-F807 PolarHBondContact O-N 3.03Å; S805-F807 VanDerWaalsContact C-N 3.31Å; S805-F807 PolarHBondContact O-N 2.96Å; F807-I817 HydrophobicContact CB-CG2 3.93Å; F807-I817 HydrophobicContact CD2-CG2 4.2Å; F807-P818 HydrophobicContact CE2-CG 4.47Å; F807-R863 VanDerWaalsContact CZ-CZ 3.44Å; F807-R863 PolarHBondContact O-NH1 3.3Å; F807-R863 PolarHBondContact O-NH2 2.98Å; F807-A866 HydrophobicContact CD2-CB 4.42Å; F807-A866 HydrophobicContact CE2-CB 3.88Å; F807-L867 HydrophobicContact CE1-CD1 3.91Å; F807-L867 HydrophobicContact CZ-CB 3.99Å; F807-L867 HydrophobicContact CZ-CD1 3.88Å; F807-L870 HydrophobicContact CB-CD1 4.03Å; F807-L870 HydrophobicContact CD1-CD1 4.31Å; F807-L870 HydrophobicContact CD2-CD1 3.67Å; F807-L870 HydrophobicContact CE2-CD1 4.16Å; F807-L870 HydrophobicContact CG-CD1 3.75Å
808	N	93.9	Very high	95.3	Very high	52 Å²	52	47.7 Å²	47.7	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-86.4	-15.6	-178.4	-79.7	-33.7	0	0	0	115.1	V499 E500 A501 I804 S805 I806	V499-N808 PolarHBondContact O-ND2 2.68Å; V499-N808 PolarHBondContact O-OD1 3.06Å; E500-N808 WeakPolarHBondContact CA-OD1 3.49Å; A501-N808 HydrophobicContact CB-CB 3.95Å; A501-N808 PolarHBondContact N-OD1 3.08Å; I804-N808 WeakPolarHBondContact CG2-ND2 3.37Å; I804-N808 WeakPolarHBondContact O-CB 3.21Å; I804-N808 PolarHBondContact O-N 3.35Å; I804-N808 PolarHBondContact O-ND2 2.97Å; S805-N808 PolarHBondContact O-N 3.22Å; I806-N808 VanDerWaalsContact C-N 3.31Å; I806-N808 PolarHBondContact O-N 3.31Å
809	D	91.9	Very high	95	Very high	105 Å²	105	45.2 Å²	45.2	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-126.7	162	-177.4	60.9	0	0	0	110.1	S805 I806	S805-D809 PolarHBondContact O-N 3.08Å; S805-D809 VanDerWaalsContact O-N 3.15Å; I806-D809 PolarHBondContact O-N 3.27Å
810	R	91.6	Very high	94.6	Very high	140 Å²	140	46.2 Å²	46.2	53%	0.528	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.5	-170.9	-69.8	171.1	172.9	-73.2	-17.4	114.3	P819 P820 E823	R810-P819 WeakPolarHBondContact O-CA 3.37Å; R810-P819 WeakPolarHBondContact O-CB 3.14Å; R810-P820 WeakPolarHBondContact O-CD 3.33Å; R810-E823 IonicContact CZ-OE1 3.98Å; R810-E823 IonicContact NH1-OE1 3.16Å; R810-E823 PolarHBondContact NH1-OE1 2.67Å; R810-E823 IonicContact NH1-OE2 3.39Å; R810-E823 PolarHBondContact NH1-OE2 2.62Å; R810-E823 IonicContact NH2-OE1 3.76Å
811	G	93.8	Very high	93.9	Very high	15 Å²	15	49.7 Å²	49.7	16%	0.155	26%	0.263	C	S	.	.			trans	68.3	-170.1	-164	0	0	0	0	0	112.3	I806	I806-G811 VanDerWaalsContact O-CA 3.29Å; I806-G811 WeakPolarHBondContact O-CA 3.41Å; I806-G811 PolarHBondContact O-N 3.19Å
812	S	94.1	Very high	93.2	Very high	32 Å²	32	51.4 Å²	51.4	22%	0.224	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-158.7	108.8	175.2	178.2	0	0	0	0	111	K814 L815 D816 I817	S812-K814 PolarHBondContact O-N 3.5Å; S812-K814 PolarHBondContact OG-N 3.01Å; S812-L815 PolarHBondContact O-N 3.38Å; S812-L815 PolarHBondContact OG-N 3.01Å; S812-D816 PolarHBondContact O-N 3.36Å; S812-I817 CarbonylContact C-O 3.57Å; S812-I817 PolarHBondContact N-O 2.91Å; S812-I817 PolarHBondContact O-N 3.33Å; S812-I817 VanDerWaalsContact O-N 3.1Å
813	D	89.6	Confident	92.8	Very high	128 Å²	128	54.1 Å²	54.1	68%	0.684	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	173	-78.1	0.6	0	0	0	112.3
814	K	91.3	Very high	92.2	Very high	113 Å²	113	55 Å²	55	49%	0.491	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-27.5	175.8	-177.4	172.5	-177.1	174.9	0	112.9	S812 M973 E974	S812-K814 PolarHBondContact O-N 3.5Å; S812-K814 PolarHBondContact OG-N 3.01Å; K814-M973 WeakPolarHBondContact CE-O 3.12Å; K814-E974 IonicContact NZ-OE1 2.92Å; K814-E974 PolarHBondContact NZ-OE1 3.41Å; K814-E974 IonicContact NZ-OE2 2.9Å; K814-E974 PolarHBondContact NZ-OE2 3.23Å
815	L	95.6	Very high	91.7	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	16.1	-172.7	-59.6	175.3	0	0	0	112.5	I806 S812 I817 W972 M973 P978 W979	I806-L815 HydrophobicContact CD1-CD1 3.91Å; S812-L815 PolarHBondContact O-N 3.38Å; S812-L815 PolarHBondContact OG-N 3.01Å; L815-I817 PolarHBondContact O-N 2.92Å; L815-I817 VanDerWaalsContact O-N 3.14Å; L815-W972 HydrophobicContact CD1-CH2 3.93Å; L815-W972 HydrophobicContact CD1-CZ3 4.47Å; L815-W972 HydrophobicContact CD2-CH2 4.14Å; L815-W972 HydrophobicContact CD2-CZ3 3.86Å; L815-M973 HydrophobicContact CD1-CE 4.2Å; L815-M973 HydrophobicContact CD1-SD 4.32Å; L815-M973 HydrophobicContact CD2-CB 4.28Å; L815-M973 HydrophobicContact CD2-CG 4.11Å; L815-P978 HydrophobicContact CD2-CB 4.23Å; L815-P978 HydrophobicContact CD2-CG 4.17Å; L815-W979 HydrophobicContact CB-CZ2 3.86Å; L815-W979 HydrophobicContact CD1-CH2 4.43Å; L815-W979 HydrophobicContact CD1-CZ2 3.85Å; L815-W979 HydrophobicContact CG-CZ2 4.35Å; L815-W979 PolarHBondContact O-NE1 2.86Å
816	D	94.6	Very high	91.2	Very high	126 Å²	126	62.5 Å²	62.5	67%	0.674	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	26.7	-174.3	-79.6	-22.3	0	0	0	114.4	S812 P818	S812-D816 PolarHBondContact O-N 3.36Å; D816-P818 WeakPolarHBondContact O-CD 3.36Å
817	I	96.4	Very high	90.7	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-95.3	111.9	173.3	-64	-175.3	0	0	0	108.9	I803 I806 F807 S812 L815 W979	I803-I817 HydrophobicContact CB-CD1 4.32Å; I803-I817 HydrophobicContact CG1-CD1 4.45Å; I803-I817 HydrophobicContact CG2-CD1 3.89Å; I803-I817 HydrophobicContact CG2-CG1 4.49Å; I806-I817 HydrophobicContact CB-CD1 3.82Å; I806-I817 HydrophobicContact CD1-CD1 4.46Å; I806-I817 HydrophobicContact CG2-CB 4.3Å; I806-I817 HydrophobicContact CG2-CD1 3.86Å; I806-I817 HydrophobicContact CG2-CG2 4.15Å; F807-I817 HydrophobicContact CB-CG2 3.93Å; F807-I817 HydrophobicContact CD2-CG2 4.2Å; S812-I817 CarbonylContact C-O 3.57Å; S812-I817 PolarHBondContact N-O 2.91Å; S812-I817 PolarHBondContact O-N 3.33Å; S812-I817 VanDerWaalsContact O-N 3.1Å; L815-I817 PolarHBondContact O-N 2.92Å; L815-I817 VanDerWaalsContact O-N 3.14Å; I817-W979 HydrophobicContact CD1-CH2 3.97Å; I817-W979 HydrophobicContact CD1-CZ2 3.37Å; I817-W979 HydrophobicContact CG1-CZ2 4.13Å
818	P	94.8	Very high	89.9	Confident	15 Å²	15	67.7 Å²	67.7	10%	0.097	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-70.4	131.2	-172.5	26.3	-33.7	0	0	0	112.2	F807 D816 L862 R863 A866	F807-P818 HydrophobicContact CE2-CG 4.47Å; D816-P818 WeakPolarHBondContact O-CD 3.36Å; P818-L862 HydrophobicContact CB-CB 3.9Å; P818-L862 HydrophobicContact CG-CB 4.48Å; P818-R863 HydrophobicContact CB-CB 4.5Å; P818-R863 PolarHBondContact O-NH1 3.34Å; P818-A866 HydrophobicContact CG-CB 3.41Å; P818-A866 VanDerWaalsContact CG-CB 3.41Å
819	P	92.2	Very high	89.2	Confident	14 Å²	14	74.2 Å²	74.2	9%	0.091	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-66.8	156.2	-179.7	29.8	-39.2	0	0	0	112.9	R810 E823 M859	R810-P819 WeakPolarHBondContact O-CA 3.37Å; R810-P819 WeakPolarHBondContact O-CB 3.14Å; P819-E823 HydrophobicContact CB-CB 4.16Å; P819-E823 HydrophobicContact CB-CG 4.42Å; P819-M859 HydrophobicContact CB-CE 4.35Å; P819-M859 HydrophobicContact CG-CE 3.52Å
820	P	89.3	Confident	88.6	Confident	21 Å²	21	71 Å²	71	14%	0.136	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.8	161.4	171.9	30.8	-36	0	0	0	112	R810 S822 E823	R810-P820 WeakPolarHBondContact O-CD 3.33Å; P820-S822 WeakPolarHBondContact CG-OG 3.33Å; P820-S822 PolarHBondContact O-N 3.3Å; P820-E823 HydrophobicContact CG-CG 4.34Å; P820-E823 PolarHBondContact O-N 2.77Å; P820-E823 VanDerWaalsContact O-N 3.09Å
821	L	83.4	Confident	87.9	Confident	74 Å²	74	68.1 Å²	68.1	39%	0.387	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-62.3	-15.9	-179	-71.4	-175.8	0	0	0	114.7	E823 A824 H860	L821-E823 PolarHBondContact O-N 3.5Å; L821-A824 WeakPolarHBondContact O-CB 3.35Å; L821-A824 PolarHBondContact O-N 3.2Å; L821-A824 VanDerWaalsContact O-N 3.16Å; L821-H860 HydrophobicContact CD2-CB 4.07Å
822	S	84.3	Confident	86.7	Confident	96 Å²	96	70.5 Å²	70.5	67%	0.671	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-64	-26.4	173.4	46.2	0	0	0	0	113.3	P820 A824	P820-S822 WeakPolarHBondContact CG-OG 3.33Å; P820-S822 PolarHBondContact O-N 3.3Å; S822-A824 VanDerWaalsContact C-N 3.34Å
823	E	87.9	Confident	85.6	Confident	83 Å²	83	75.6 Å²	75.6	39%	0.388	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-91.2	3.6	176.8	-54.9	-61	135.7	0	0	112.3	R810 P819 P820 L821	R810-E823 IonicContact CZ-OE1 3.98Å; R810-E823 IonicContact NH1-OE1 3.16Å; R810-E823 PolarHBondContact NH1-OE1 2.67Å; R810-E823 IonicContact NH1-OE2 3.39Å; R810-E823 PolarHBondContact NH1-OE2 2.62Å; R810-E823 IonicContact NH2-OE1 3.76Å; P819-E823 HydrophobicContact CB-CB 4.16Å; P819-E823 HydrophobicContact CB-CG 4.42Å; P820-E823 HydrophobicContact CG-CG 4.34Å; P820-E823 PolarHBondContact O-N 2.77Å; P820-E823 VanDerWaalsContact O-N 3.09Å; L821-E823 PolarHBondContact O-N 3.5Å
824	A	86.6	Confident	85.1	Confident	18 Å²	18	71.3 Å²	71.3	15%	0.149	37%	0.371	C	S	.	.	S	Bend	trans	-67.7	146.6	176.9	0	0	0	0	0	111.5	L821 S822 K826 C856 M859	L821-A824 WeakPolarHBondContact O-CB 3.35Å; L821-A824 PolarHBondContact O-N 3.2Å; L821-A824 VanDerWaalsContact O-N 3.16Å; S822-A824 VanDerWaalsContact C-N 3.34Å; A824-K826 PolarHBondContact O-N 2.92Å; A824-C856 HydrophobicContact CB-CB 4.28Å; A824-M859 HydrophobicContact CB-CE 4.2Å; A824-M859 HydrophobicContact CB-SD 4.08Å
825	P	86.8	Confident	84.3	Confident	47 Å²	47	71.3 Å²	71.3	31%	0.305	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-61.1	124.4	179.7	25.9	-34.9	0	0	0	110.6	I827 A852 K855	P825-I827 PolarHBondContact O-N 2.67Å; P825-I827 VanDerWaalsContact O-N 3.15Å; P825-A852 HydrophobicContact CB-CB 4.36Å; P825-A852 HydrophobicContact CG-CB 4.23Å; P825-K855 HydrophobicContact CG-CB 4.03Å; P825-K855 HydrophobicContact CG-CD 4.1Å; P825-K855 HydrophobicContact CG-CG 4.16Å
826	K	85.9	Confident	83.6	Confident	200 Å²	200	77.8 Å²	77.8	87%	0.87	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-52.6	121.3	173.5	-67.1	-177	-179.8	179.8	0	109	A824 P828	A824-K826 PolarHBondContact O-N 2.92Å; K826-P828 VanDerWaalsContact O-CD 3.32Å; K826-P828 WeakPolarHBondContact O-CD 3.5Å
827	I	84.1	Confident	83	Confident	81 Å²	81	75.5 Å²	75.5	42%	0.415	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-69.7	121	178.4	-60.9	169.2	0	0	0	107.5	P825 H829 V849 A852 K853	P825-I827 PolarHBondContact O-N 2.67Å; P825-I827 VanDerWaalsContact O-N 3.15Å; I827-H829 PolarHBondContact O-N 2.87Å; I827-V849 HydrophobicContact CG2-CG1 4.01Å; I827-V849 HydrophobicContact CG2-CG2 4.28Å; I827-A852 HydrophobicContact CG1-CB 4.15Å; I827-K853 HydrophobicContact CD1-CG 3.75Å; I827-K853 HydrophobicContact CG1-CG 4.22Å; I827-K853 HydrophobicContact CG2-CG 4.39Å
828	P	81.2	Confident	82.4	Confident	53 Å²	53	79 Å²	79	34%	0.344	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-60.3	128.5	-179.8	-25	34.7	0	0	0	111.6	K826 E848 V849	K826-P828 VanDerWaalsContact O-CD 3.32Å; K826-P828 WeakPolarHBondContact O-CD 3.5Å; P828-E848 HydrophobicContact CG-CB 4.23Å; P828-V849 HydrophobicContact CB-CG2 4.06Å; P828-V849 HydrophobicContact CG-CG2 4.34Å; P828-V849 WeakPolarHBondContact O-CG2 3.45Å
829	H	78.5	Confident	81.8	Confident	188 Å²	188	82.4 Å²	82.4	87%	0.87	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-95.1	117	168.7	-167.3	-57.1	0	0	0	108.6	I827	I827-H829 PolarHBondContact O-N 2.87Å
830	F	79.3	Confident	81.5	Confident	38 Å²	38	86.2 Å²	86.2	17%	0.167	48%	0.478	C	S	.	.			trans	-131.5	150.8	170.3	73.4	-82.8	0	0	0	109	P832 M845 K846 V849	F830-P832 HydrophobicContact CE2-CB 4.33Å; F830-P832 HydrophobicContact CE2-CG 4.17Å; F830-P832 WeakPolarHBondContact O-CD 3.2Å; F830-M845 HydrophobicContact CB-SD 3.61Å; F830-M845 HydrophobicContact CD1-CB 3.62Å; F830-M845 HydrophobicContact CD1-CG 4.48Å; F830-M845 HydrophobicContact CD1-SD 4.25Å; F830-M845 HydrophobicContact CD2-CB 4.27Å; F830-M845 HydrophobicContact CD2-SD 3.96Å; F830-M845 HydrophobicContact CE1-CB 3.58Å; F830-M845 HydrophobicContact CE2-CB 4.24Å; F830-M845 HydrophobicContact CG-CB 3.97Å; F830-M845 HydrophobicContact CG-CG 4.47Å; F830-M845 HydrophobicContact CG-SD 3.7Å; F830-M845 HydrophobicContact CZ-CB 3.91Å; F830-K846 HydrophobicContact CZ-CB 4.39Å; F830-V849 HydrophobicContact CD1-CG2 4.2Å; F830-V849 HydrophobicContact CE1-CG2 3.93Å
831	N	76.5	Confident	81.2	Confident	79 Å²	79	89.4 Å²	89.4	42%	0.422	49%	0.491	S	S	.	.			trans	-87.2	116.2	173.7	172.6	14.2	0	0	0	109.1	Q833 D834	N831-Q833 PolarHBondContact O-N 3.24Å; N831-Q833 PolarHBondContact OD1-N 2.71Å; N831-D834 HydrophobicContact CB-CB 3.98Å; N831-D834 VanDerWaalsContact O-CB 3.23Å; N831-D834 WeakPolarHBondContact O-CB 3.41Å; N831-D834 PolarHBondContact O-N 3.1Å
832	P	68.9	Low	81.2	Confident	65 Å²	65	88.5 Å²	88.5	42%	0.422	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.1	180	-21.1	34.3	0	0	0	113.8	F830 K842	F830-P832 HydrophobicContact CE2-CB 4.33Å; F830-P832 HydrophobicContact CE2-CG 4.17Å; F830-P832 WeakPolarHBondContact O-CD 3.2Å; P832-K842 WeakPolarHBondContact O-CE 3.42Å; P832-K842 PolarHBondContact O-NZ 3.17Å
833	Q	71.5	Confident	81.3	Confident	140 Å²	140	85.8 Å²	85.8	65%	0.654	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	0.6	-178.2	-54	-64.1	14.4	0	0	113.5	N831	N831-Q833 PolarHBondContact O-N 3.24Å; N831-Q833 PolarHBondContact OD1-N 2.71Å
834	D	77.9	Confident	81.2	Confident	37 Å²	37	86.8 Å²	86.8	20%	0.198	47%	0.472	C	S	.	.			trans	-64.7	125.3	174.5	-168.7	-34	0	0	0	110.1	N831 D836 Y837 K842	N831-D834 HydrophobicContact CB-CB 3.98Å; N831-D834 VanDerWaalsContact O-CB 3.23Å; N831-D834 WeakPolarHBondContact O-CB 3.41Å; N831-D834 PolarHBondContact O-N 3.1Å; D834-D836 VanDerWaalsContact C-N 3.28Å; D834-D836 PolarHBondContact O-N 3.42Å; D834-D836 PolarHBondContact OD1-N 3.1Å; D834-Y837 HydrophobicContact CB-CD2 3.77Å; D834-Y837 HydrophobicContact CB-CE2 3.71Å; D834-Y837 WeakPolarHBondContact OD2-CE2 3.46Å; D834-K842 WeakPolarHBondContact O-CE 3.26Å; D834-K842 PolarHBondContact O-NZ 3.08Å
835	P	74.1	Confident	81.1	Confident	113 Å²	113	88 Å²	88	73%	0.734	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.2	-177.1	30.3	-35.8	0	0	0	113.5	Y837	P835-Y837 VanDerWaalsContact C-N 3.34Å; P835-Y837 PolarHBondContact O-N 3.02Å
836	D	81.1	Confident	81	Confident	141 Å²	141	89.9 Å²	89.9	75%	0.754	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.4	-168.1	-67.4	-11.2	0	0	0	113.2	D834	D834-D836 VanDerWaalsContact C-N 3.28Å; D834-D836 PolarHBondContact O-N 3.42Å; D834-D836 PolarHBondContact OD1-N 3.1Å
837	Y	81.8	Confident	81.1	Confident	78 Å²	78	88.1 Å²	88.1	31%	0.306	47%	0.466	S	S	.	.	S	Bend	trans	-88.9	132	175.8	-52.7	-67.1	0	0	0	112.9	D834 P835 K842 M845	D834-Y837 HydrophobicContact CB-CD2 3.77Å; D834-Y837 HydrophobicContact CB-CE2 3.71Å; D834-Y837 WeakPolarHBondContact OD2-CE2 3.46Å; P835-Y837 VanDerWaalsContact C-N 3.34Å; P835-Y837 PolarHBondContact O-N 3.02Å; Y837-K842 VanDerWaalsContact O-CE 3.25Å; Y837-K842 WeakPolarHBondContact O-CE 3.41Å; Y837-M845 HydrophobicContact CD1-CE 3.86Å; Y837-M845 HydrophobicContact CD1-SD 4.43Å; Y837-M845 HydrophobicContact CE1-CE 3.61Å; Y837-M845 HydrophobicContact CE1-SD 4.41Å
838	T	84.9	Confident	81.3	Confident	77 Å²	77	88 Å²	88	47%	0.472	46%	0.464	S	S	.	.			trans	-65.8	160.9	170	70.1	0	0	0	0	111.9	S840 E841 K842	T838-S840 PolarHBondContact O-N 3.24Å; T838-S840 VanDerWaalsContact O-N 3.13Å; T838-S840 PolarHBondContact OG1-N 3.38Å; T838-E841 WeakPolarHBondContact CA-OE2 3.43Å; T838-E841 WeakPolarHBondContact CB-OE2 3.47Å; T838-E841 VanDerWaalsContact CG2-OE2 3.26Å; T838-E841 WeakPolarHBondContact CG2-OE2 3.45Å; T838-E841 PolarHBondContact N-OE2 3.15Å; T838-E841 PolarHBondContact O-N 3.06Å; T838-E841 VanDerWaalsContact O-N 3.15Å; T838-E841 PolarHBondContact OG1-N 2.98Å; T838-E841 PolarHBondContact OG1-OE2 3.08Å; T838-K842 WeakPolarHBondContact O-CG 3.47Å; T838-K842 PolarHBondContact O-N 3.37Å
839	A	82.6	Confident	81.6	Confident	87 Å²	87	86.6 Å²	86.6	72%	0.719	45%	0.454	S	S	*	.	H	α-helix	trans	-58.3	-25	172.9	0	0	0	0	0	113.4	A843	A839-A843 VanDerWaalsContact O-CB 3.31Å; A839-A843 WeakPolarHBondContact O-CB 3.31Å; A839-A843 PolarHBondContact O-N 2.88Å; A839-A843 VanDerWaalsContact O-N 3.16Å
840	S	84.2	Confident	82	Confident	94 Å²	94	82.3 Å²	82.3	66%	0.657	44%	0.437	S	S	*	.	H	α-helix	trans	-72.6	-46	175.8	-166.8	0	0	0	0	111.4	T838 A843 H844	T838-S840 PolarHBondContact O-N 3.24Å; T838-S840 VanDerWaalsContact O-N 3.13Å; T838-S840 PolarHBondContact OG1-N 3.38Å; S840-A843 CarbonylContact O-C 3.57Å; S840-A843 WeakPolarHBondContact O-CB 3.22Å; S840-A843 PolarHBondContact O-N 2.88Å; S840-H844 PolarHBondContact O-N 3.41Å
841	E	84.4	Confident	82.4	Confident	88 Å²	88	85.2 Å²	85.2	41%	0.411	45%	0.454	S	S	.	.	H	α-helix	trans	-68.3	-42.6	178.3	-69.8	148.3	142.7	0	0	111.3	T838 A843 H844 M845	T838-E841 WeakPolarHBondContact CA-OE2 3.43Å; T838-E841 WeakPolarHBondContact CB-OE2 3.47Å; T838-E841 VanDerWaalsContact CG2-OE2 3.26Å; T838-E841 WeakPolarHBondContact CG2-OE2 3.45Å; T838-E841 PolarHBondContact N-OE2 3.15Å; T838-E841 PolarHBondContact O-N 3.06Å; T838-E841 VanDerWaalsContact O-N 3.15Å; T838-E841 PolarHBondContact OG1-N 2.98Å; T838-E841 PolarHBondContact OG1-OE2 3.08Å; E841-A843 PolarHBondContact O-N 3.13Å; E841-H844 WeakPolarHBondContact O-CA 3.31Å; E841-H844 WeakPolarHBondContact O-CB 3.43Å; E841-H844 PolarHBondContact O-N 3.34Å; E841-M845 WeakPolarHBondContact O-CG 3.31Å; E841-M845 PolarHBondContact O-N 2.97Å
842	K	83.6	Confident	83	Confident	56 Å²	56	82 Å²	82	24%	0.243	44%	0.438	C	S	.	.	H	α-helix	trans	-57.6	-36.2	171.8	-67.2	-176	-178.8	-172.2	0	111.7	P832 D834 Y837 T838 K846	P832-K842 WeakPolarHBondContact O-CE 3.42Å; P832-K842 PolarHBondContact O-NZ 3.17Å; D834-K842 WeakPolarHBondContact O-CE 3.26Å; D834-K842 PolarHBondContact O-NZ 3.08Å; Y837-K842 VanDerWaalsContact O-CE 3.25Å; Y837-K842 WeakPolarHBondContact O-CE 3.41Å; T838-K842 WeakPolarHBondContact O-CG 3.47Å; T838-K842 PolarHBondContact O-N 3.37Å; K842-K846 VanDerWaalsContact O-CB 3.25Å; K842-K846 WeakPolarHBondContact O-CB 3.33Å; K842-K846 PolarHBondContact O-N 3.37Å
843	A	84.8	Confident	83.8	Confident	39 Å²	39	84.1 Å²	84.1	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-73.7	-32.7	173.7	0	0	0	0	0	113.4	A839 S840 E841 R847	A839-A843 VanDerWaalsContact O-CB 3.31Å; A839-A843 WeakPolarHBondContact O-CB 3.31Å; A839-A843 PolarHBondContact O-N 2.88Å; A839-A843 VanDerWaalsContact O-N 3.16Å; S840-A843 CarbonylContact O-C 3.57Å; S840-A843 WeakPolarHBondContact O-CB 3.22Å; S840-A843 PolarHBondContact O-N 2.88Å; E841-A843 PolarHBondContact O-N 3.13Å; A843-R847 WeakPolarHBondContact O-CD 3.35Å; A843-R847 VanDerWaalsContact O-CG 3.26Å; A843-R847 WeakPolarHBondContact O-CG 3.33Å; A843-R847 PolarHBondContact O-N 2.91Å
844	H	86.2	Confident	84.5	Confident	103 Å²	103	82.8 Å²	82.8	48%	0.477	43%	0.433	S	S	.	.	H	α-helix	trans	-65.8	-55.7	173.2	-166.7	-84.3	0	0	0	110.8	S840 E841 K846 R847 E848	S840-H844 PolarHBondContact O-N 3.41Å; E841-H844 WeakPolarHBondContact O-CA 3.31Å; E841-H844 WeakPolarHBondContact O-CB 3.43Å; E841-H844 PolarHBondContact O-N 3.34Å; H844-K846 VanDerWaalsContact C-N 3.31Å; H844-K846 PolarHBondContact O-N 2.82Å; H844-R847 WeakPolarHBondContact O-CA 3.49Å; H844-R847 WeakPolarHBondContact O-CB 3.49Å; H844-R847 PolarHBondContact O-N 2.9Å; H844-E848 IonicContact CE1-OE1 3.33Å; H844-E848 PolarHBondContact CE1-OE1 3.29Å; H844-E848 IonicContact CE1-OE2 2.72Å; H844-E848 PolarHBondContact CE1-OE2 3.09Å; H844-E848 IonicContact CG-OE2 3.94Å; H844-E848 IonicContact ND1-OE1 3.47Å; H844-E848 IonicContact ND1-OE2 2.75Å; H844-E848 PolarHBondContact ND1-OE2 3.12Å; H844-E848 PolarHBondContact O-N 3.4Å
845	M	85.3	Confident	85	Confident	45 Å²	45	85.9 Å²	85.9	22%	0.222	45%	0.445	C	S	.	.	H	α-helix	trans	-59.5	-38.6	178.9	-64.1	179.6	174.8	0	0	112	F830 Y837 E841 R847 E848 V849	F830-M845 HydrophobicContact CB-SD 3.61Å; F830-M845 HydrophobicContact CD1-CB 3.62Å; F830-M845 HydrophobicContact CD1-CG 4.48Å; F830-M845 HydrophobicContact CD1-SD 4.25Å; F830-M845 HydrophobicContact CD2-CB 4.27Å; F830-M845 HydrophobicContact CD2-SD 3.96Å; F830-M845 HydrophobicContact CE1-CB 3.58Å; F830-M845 HydrophobicContact CE2-CB 4.24Å; F830-M845 HydrophobicContact CG-CB 3.97Å; F830-M845 HydrophobicContact CG-CG 4.47Å; F830-M845 HydrophobicContact CG-SD 3.7Å; F830-M845 HydrophobicContact CZ-CB 3.91Å; Y837-M845 HydrophobicContact CD1-CE 3.86Å; Y837-M845 HydrophobicContact CD1-SD 4.43Å; Y837-M845 HydrophobicContact CE1-CE 3.61Å; Y837-M845 HydrophobicContact CE1-SD 4.41Å; E841-M845 WeakPolarHBondContact O-CG 3.31Å; E841-M845 PolarHBondContact O-N 2.97Å; M845-R847 VanDerWaalsContact C-N 3.31Å; M845-R847 PolarHBondContact O-N 2.87Å; M845-E848 PolarHBondContact O-N 3.1Å; M845-V849 WeakPolarHBondContact O-CB 3.47Å; M845-V849 WeakPolarHBondContact O-CG2 3.49Å; M845-V849 PolarHBondContact O-N 2.89Å
846	K	85.1	Confident	85.6	Confident	85 Å²	85	82.1 Å²	82.1	37%	0.37	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-36	173.2	-167	171.1	-174.5	177.9	0	111.8	D89 V90 F830 K842 H844 I850	D89-K846 PolarHBondContact O-NZ 2.89Å; V90-K846 PolarHBondContact O-NZ 2.99Å; F830-K846 HydrophobicContact CZ-CB 4.39Å; K842-K846 VanDerWaalsContact O-CB 3.25Å; K842-K846 WeakPolarHBondContact O-CB 3.33Å; K842-K846 PolarHBondContact O-N 3.37Å; H844-K846 VanDerWaalsContact C-N 3.31Å; H844-K846 PolarHBondContact O-N 2.82Å; K846-I850 HydrophobicContact CG-CD1 4.34Å; K846-I850 VanDerWaalsContact O-CD1 3.3Å; K846-I850 WeakPolarHBondContact O-CD1 3.29Å; K846-I850 WeakPolarHBondContact O-CG1 3.25Å; K846-I850 PolarHBondContact O-N 3.14Å
847	R	87.2	Confident	85.8	Confident	163 Å²	163	78.9 Å²	78.9	62%	0.615	41%	0.409	S	S	*	.	H	α-helix	trans	-70.2	-42	173.2	-67.3	164.1	-170.5	171.8	5.9	112	A843 H844 M845 I850 N851	A843-R847 WeakPolarHBondContact O-CD 3.35Å; A843-R847 VanDerWaalsContact O-CG 3.26Å; A843-R847 WeakPolarHBondContact O-CG 3.33Å; A843-R847 PolarHBondContact O-N 2.91Å; H844-R847 WeakPolarHBondContact O-CA 3.49Å; H844-R847 WeakPolarHBondContact O-CB 3.49Å; H844-R847 PolarHBondContact O-N 2.9Å; M845-R847 VanDerWaalsContact C-N 3.31Å; M845-R847 PolarHBondContact O-N 2.87Å; R847-I850 PolarHBondContact O-N 2.86Å; R847-N851 WeakPolarHBondContact O-CB 3.38Å; R847-N851 VanDerWaalsContact O-CG 3.24Å; R847-N851 PolarHBondContact O-N 3.38Å; R847-N851 PolarHBondContact O-ND2 2.99Å
848	E	88.3	Confident	86.1	Confident	80 Å²	80	79.5 Å²	79.5	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-43.5	178.4	-68.8	176.6	110.9	0	0	112	P828 H844 M845 I850 N851 A852	P828-E848 HydrophobicContact CG-CB 4.23Å; H844-E848 IonicContact CE1-OE1 3.33Å; H844-E848 PolarHBondContact CE1-OE1 3.29Å; H844-E848 IonicContact CE1-OE2 2.72Å; H844-E848 PolarHBondContact CE1-OE2 3.09Å; H844-E848 IonicContact CG-OE2 3.94Å; H844-E848 IonicContact ND1-OE1 3.47Å; H844-E848 IonicContact ND1-OE2 2.75Å; H844-E848 PolarHBondContact ND1-OE2 3.12Å; H844-E848 PolarHBondContact O-N 3.4Å; M845-E848 PolarHBondContact O-N 3.1Å; E848-I850 VanDerWaalsContact C-N 3.31Å; E848-I850 PolarHBondContact O-N 3.16Å; E848-N851 PolarHBondContact O-N 3.23Å; E848-A852 WeakPolarHBondContact O-CB 3.44Å; E848-A852 PolarHBondContact O-N 3.28Å
849	V	87.9	Confident	86.4	Confident	22 Å²	22	76.6 Å²	76.6	13%	0.133	40%	0.396	C	S	.	.	H	α-helix	trans	-60	-40.1	172.8	168.4	0	0	0	0	111.9	I827 P828 F830 M845 K853	I827-V849 HydrophobicContact CG2-CG1 4.01Å; I827-V849 HydrophobicContact CG2-CG2 4.28Å; P828-V849 HydrophobicContact CB-CG2 4.06Å; P828-V849 HydrophobicContact CG-CG2 4.34Å; P828-V849 WeakPolarHBondContact O-CG2 3.45Å; F830-V849 HydrophobicContact CD1-CG2 4.2Å; F830-V849 HydrophobicContact CE1-CG2 3.93Å; M845-V849 WeakPolarHBondContact O-CB 3.47Å; M845-V849 WeakPolarHBondContact O-CG2 3.49Å; M845-V849 PolarHBondContact O-N 2.89Å; V849-K853 HydrophobicContact CG1-CD 4.01Å; V849-K853 VanDerWaalsContact O-CB 3.32Å; V849-K853 WeakPolarHBondContact O-CB 3.34Å; V849-K853 VanDerWaalsContact O-CG 3.25Å; V849-K853 WeakPolarHBondContact O-CG 3.49Å; V849-K853 PolarHBondContact O-N 2.94Å
850	I	86.3	Confident	86.6	Confident	99 Å²	99	74.8 Å²	74.8	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-66.1	-44.6	175.1	-71.7	165.4	0	0	0	110.9	K846 R847 E848 K853 K854	K846-I850 HydrophobicContact CG-CD1 4.34Å; K846-I850 VanDerWaalsContact O-CD1 3.3Å; K846-I850 WeakPolarHBondContact O-CD1 3.29Å; K846-I850 WeakPolarHBondContact O-CG1 3.25Å; K846-I850 PolarHBondContact O-N 3.14Å; R847-I850 PolarHBondContact O-N 2.86Å; E848-I850 VanDerWaalsContact C-N 3.31Å; E848-I850 PolarHBondContact O-N 3.16Å; I850-K853 PolarHBondContact O-N 2.92Å; I850-K854 VanDerWaalsContact O-CB 3.31Å; I850-K854 WeakPolarHBondContact O-CB 3.49Å; I850-K854 PolarHBondContact O-N 3.36Å
851	N	89	Confident	86.9	Confident	99 Å²	99	73.9 Å²	73.9	53%	0.529	37%	0.367	S	S	.	.	H	α-helix	trans	-66.4	-42	-180	-71.8	-17	0	0	0	112.2	R847 E848 K854 K855	R847-N851 WeakPolarHBondContact O-CB 3.38Å; R847-N851 VanDerWaalsContact O-CG 3.24Å; R847-N851 PolarHBondContact O-N 3.38Å; R847-N851 PolarHBondContact O-ND2 2.99Å; E848-N851 PolarHBondContact O-N 3.23Å; N851-K854 WeakPolarHBondContact O-CB 3.33Å; N851-K854 PolarHBondContact O-N 3.46Å; N851-K855 PolarHBondContact O-N 2.8Å
852	A	88.1	Confident	87.3	Confident	10 Å²	10	74.7 Å²	74.7	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-46.1	175.5	0	0	0	0	0	111.4	P825 I827 E848 K854 K855 C856	P825-A852 HydrophobicContact CB-CB 4.36Å; P825-A852 HydrophobicContact CG-CB 4.23Å; I827-A852 HydrophobicContact CG1-CB 4.15Å; E848-A852 WeakPolarHBondContact O-CB 3.44Å; E848-A852 PolarHBondContact O-N 3.28Å; A852-K854 VanDerWaalsContact C-N 3.34Å; A852-K854 PolarHBondContact O-N 3.45Å; A852-K855 PolarHBondContact O-N 3.45Å; A852-C856 VanDerWaalsContact O-CB 3.26Å; A852-C856 WeakPolarHBondContact O-CB 3.16Å; A852-C856 PolarHBondContact O-N 3.45Å
853	K	85.6	Confident	87.7	Confident	111 Å²	111	72.4 Å²	72.4	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-39.3	174.3	-75.3	174.8	178.8	177.9	0	112.3	I827 V849 I850 S857	I827-K853 HydrophobicContact CD1-CG 3.75Å; I827-K853 HydrophobicContact CG1-CG 4.22Å; I827-K853 HydrophobicContact CG2-CG 4.39Å; V849-K853 HydrophobicContact CG1-CD 4.01Å; V849-K853 VanDerWaalsContact O-CB 3.32Å; V849-K853 WeakPolarHBondContact O-CB 3.34Å; V849-K853 VanDerWaalsContact O-CG 3.25Å; V849-K853 WeakPolarHBondContact O-CG 3.49Å; V849-K853 PolarHBondContact O-N 2.94Å; I850-K853 PolarHBondContact O-N 2.92Å; K853-S857 WeakPolarHBondContact O-CB 3.41Å; K853-S857 PolarHBondContact O-N 3.45Å; K853-S857 PolarHBondContact O-OG 3.28Å
854	K	87.1	Confident	87.9	Confident	112 Å²	112	72.9 Å²	72.9	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-56.6	173.9	-175.8	-171.7	175.1	-78.9	0	110.9	I850 N851 A852 C856 S857 E858	I850-K854 VanDerWaalsContact O-CB 3.31Å; I850-K854 WeakPolarHBondContact O-CB 3.49Å; I850-K854 PolarHBondContact O-N 3.36Å; N851-K854 WeakPolarHBondContact O-CB 3.33Å; N851-K854 PolarHBondContact O-N 3.46Å; A852-K854 VanDerWaalsContact C-N 3.34Å; A852-K854 PolarHBondContact O-N 3.45Å; K854-C856 VanDerWaalsContact C-N 3.34Å; K854-C856 PolarHBondContact O-N 2.91Å; K854-S857 WeakPolarHBondContact O-CB 3.37Å; K854-S857 PolarHBondContact O-N 3.07Å; K854-S857 VanDerWaalsContact O-N 3.09Å; K854-E858 WeakPolarHBondContact CE-OE1 3.42Å; K854-E858 IonicContact NZ-OE1 3.87Å; K854-E858 PolarHBondContact NZ-OE1 3.29Å; K854-E858 IonicContact NZ-OE2 2.71Å; K854-E858 PolarHBondContact NZ-OE2 2.96Å; K854-E858 WeakPolarHBondContact O-CG 3.39Å; K854-E858 PolarHBondContact O-N 2.97Å
855	K	88.1	Confident	88.3	Confident	101 Å²	101	71.1 Å²	71.1	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-59.4	-43.5	-179.2	-178.3	172.2	179.4	-178.5	0	111.5	P825 N851 A852 S857 E858 M859	P825-K855 HydrophobicContact CG-CB 4.03Å; P825-K855 HydrophobicContact CG-CD 4.1Å; P825-K855 HydrophobicContact CG-CG 4.16Å; N851-K855 PolarHBondContact O-N 2.8Å; A852-K855 PolarHBondContact O-N 3.45Å; K855-S857 VanDerWaalsContact C-N 3.33Å; K855-S857 PolarHBondContact O-N 3.4Å; K855-E858 PolarHBondContact O-N 2.75Å; K855-M859 HydrophobicContact CD-SD 4.21Å; K855-M859 HydrophobicContact CG-CG 4.17Å; K855-M859 HydrophobicContact CG-SD 3.72Å; K855-M859 WeakPolarHBondContact O-CB 3Å; K855-M859 WeakPolarHBondContact O-CG 3.47Å; K855-M859 PolarHBondContact O-N 3.14Å
856	C	87.3	Confident	88.8	Confident	35 Å²	35	69.7 Å²	69.7	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-41.3	175.3	-178	0	0	0	0	112.5	A824 A852 K854 H860	A824-C856 HydrophobicContact CB-CB 4.28Å; A852-C856 VanDerWaalsContact O-CB 3.26Å; A852-C856 WeakPolarHBondContact O-CB 3.16Å; A852-C856 PolarHBondContact O-N 3.45Å; K854-C856 VanDerWaalsContact C-N 3.34Å; K854-C856 PolarHBondContact O-N 2.91Å; C856-H860 WeakPolarHBondContact O-CB 3.46Å; C856-H860 PolarHBondContact O-N 3.49Å
857	S	84.6	Confident	89.2	Confident	73 Å²	73	66 Å²	66	51%	0.51	33%	0.332	S	S	.	.	H	α-helix	trans	-67.2	-37.3	175.7	-54.3	0	0	0	0	112.9	K853 K854 K855 S861	K853-S857 WeakPolarHBondContact O-CB 3.41Å; K853-S857 PolarHBondContact O-N 3.45Å; K853-S857 PolarHBondContact O-OG 3.28Å; K854-S857 WeakPolarHBondContact O-CB 3.37Å; K854-S857 PolarHBondContact O-N 3.07Å; K854-S857 VanDerWaalsContact O-N 3.09Å; K855-S857 VanDerWaalsContact C-N 3.33Å; K855-S857 PolarHBondContact O-N 3.4Å; S857-S861 PolarHBondContact O-N 3.49Å; S857-S861 VanDerWaalsContact O-N 3.08Å; S857-S861 PolarHBondContact O-OG 3.18Å
858	E	88.8	Confident	89.6	Confident	90 Å²	90	61 Å²	61	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-69.7	-44.1	177.1	-69.6	171.3	142.6	0	0	110.9	K854 K855 S861 L862	K854-E858 WeakPolarHBondContact CE-OE1 3.42Å; K854-E858 IonicContact NZ-OE1 3.87Å; K854-E858 PolarHBondContact NZ-OE1 3.29Å; K854-E858 IonicContact NZ-OE2 2.71Å; K854-E858 PolarHBondContact NZ-OE2 2.96Å; K854-E858 WeakPolarHBondContact O-CG 3.39Å; K854-E858 PolarHBondContact O-N 2.97Å; K855-E858 PolarHBondContact O-N 2.75Å; E858-S861 PolarHBondContact O-N 2.74Å; E858-L862 WeakPolarHBondContact O-CG 3.44Å; E858-L862 PolarHBondContact O-N 3.03Å
859	M	90.4	Very high	90	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-46.5	172.8	-68.5	167.4	80.5	0	0	111.4	P819 A824 K855 S861 L862 R863	P819-M859 HydrophobicContact CB-CE 4.35Å; P819-M859 HydrophobicContact CG-CE 3.52Å; A824-M859 HydrophobicContact CB-CE 4.2Å; A824-M859 HydrophobicContact CB-SD 4.08Å; K855-M859 HydrophobicContact CD-SD 4.21Å; K855-M859 HydrophobicContact CG-CG 4.17Å; K855-M859 HydrophobicContact CG-SD 3.72Å; K855-M859 WeakPolarHBondContact O-CB 3Å; K855-M859 WeakPolarHBondContact O-CG 3.47Å; K855-M859 PolarHBondContact O-N 3.14Å; M859-S861 VanDerWaalsContact C-N 3.33Å; M859-S861 PolarHBondContact O-N 3.32Å; M859-L862 PolarHBondContact O-N 3.13Å; M859-R863 VanDerWaalsContact O-CB 3.24Å; M859-R863 WeakPolarHBondContact O-CB 3.11Å; M859-R863 PolarHBondContact O-N 3.49Å
860	H	87.4	Confident	90.5	Very high	49 Å²	49	58.5 Å²	58.5	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-57.3	-45.2	175.2	-176.1	-97.7	0	0	0	112.2	L821 C856 R863 M864	L821-H860 HydrophobicContact CD2-CB 4.07Å; C856-H860 WeakPolarHBondContact O-CB 3.46Å; C856-H860 PolarHBondContact O-N 3.49Å; H860-R863 PolarHBondContact O-N 3.15Å; H860-M864 VanDerWaalsContact O-CG 3.3Å; H860-M864 WeakPolarHBondContact O-CG 3.14Å; H860-M864 PolarHBondContact O-N 3.18Å
861	S	89.1	Confident	91	Very high	76 Å²	76	53.8 Å²	53.8	53%	0.531	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-41.9	-178.4	-57.9	0	0	0	0	112.1	S857 E858 M859 D865	S857-S861 PolarHBondContact O-N 3.49Å; S857-S861 VanDerWaalsContact O-N 3.08Å; S857-S861 PolarHBondContact O-OG 3.18Å; E858-S861 PolarHBondContact O-N 2.74Å; M859-S861 VanDerWaalsContact C-N 3.33Å; M859-S861 PolarHBondContact O-N 3.32Å; S861-D865 WeakPolarHBondContact O-CB 3.2Å; S861-D865 PolarHBondContact O-N 3.37Å; S861-D865 VanDerWaalsContact O-N 3.14Å
862	L	92.7	Very high	91.5	Very high	105 Å²	105	49 Å²	49	55%	0.55	25%	0.251	S	S	.	.	H	α-helix	trans	-68.1	-42.9	175.2	-66.4	170.7	0	0	0	111.5	P818 E858 M859 M864 D865 A866	P818-L862 HydrophobicContact CB-CB 3.9Å; P818-L862 HydrophobicContact CG-CB 4.48Å; E858-L862 WeakPolarHBondContact O-CG 3.44Å; E858-L862 PolarHBondContact O-N 3.03Å; M859-L862 PolarHBondContact O-N 3.13Å; L862-M864 VanDerWaalsContact C-N 3.35Å; L862-M864 PolarHBondContact O-N 3.04Å; L862-D865 PolarHBondContact O-N 3.33Å; L862-A866 WeakPolarHBondContact O-CB 3.41Å; L862-A866 PolarHBondContact O-N 3.37Å
863	R	92.4	Very high	92	Very high	8 Å²	8	48.6 Å²	48.6	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-44.5	177.3	-175	66.4	177	-169.5	4.8	111.8	E500 F807 P818 M859 H860 L867	E500-R863 IonicContact OE1-CZ 3.44Å; E500-R863 VanDerWaalsContact OE1-CZ 3.24Å; E500-R863 IonicContact OE1-NE 3.28Å; E500-R863 PolarHBondContact OE1-NE 2.79Å; E500-R863 IonicContact OE1-NH2 3.94Å; E500-R863 PolarHBondContact OE1-NH2 3.13Å; F807-R863 VanDerWaalsContact CZ-CZ 3.44Å; F807-R863 PolarHBondContact O-NH1 3.3Å; F807-R863 PolarHBondContact O-NH2 2.98Å; P818-R863 HydrophobicContact CB-CB 4.5Å; P818-R863 PolarHBondContact O-NH1 3.34Å; M859-R863 VanDerWaalsContact O-CB 3.24Å; M859-R863 WeakPolarHBondContact O-CB 3.11Å; M859-R863 PolarHBondContact O-N 3.49Å; H860-R863 PolarHBondContact O-N 3.15Å; R863-L867 VanDerWaalsContact O-CB 3.24Å; R863-L867 WeakPolarHBondContact O-CB 3.27Å; R863-L867 PolarHBondContact O-N 2.8Å
864	M	90.3	Very high	92.5	Very high	48 Å²	48	47.3 Å²	47.3	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-70.3	-39.2	178.2	-66.9	-65.1	102	0	0	113.1	H860 L862 L867 Y868	H860-M864 VanDerWaalsContact O-CG 3.3Å; H860-M864 WeakPolarHBondContact O-CG 3.14Å; H860-M864 PolarHBondContact O-N 3.18Å; L862-M864 VanDerWaalsContact C-N 3.35Å; L862-M864 PolarHBondContact O-N 3.04Å; M864-L867 HydrophobicContact CE-CD2 3.67Å; M864-L867 PolarHBondContact O-N 2.83Å; M864-L867 HydrophobicContact SD-CD2 4.13Å; M864-Y868 PolarHBondContact O-N 3.42Å
865	D	93	Very high	93.1	Very high	67 Å²	67	44.7 Å²	44.7	36%	0.358	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-43.6	174.6	170	74.6	0	0	0	111.8	S861 L862 K869	S861-D865 WeakPolarHBondContact O-CB 3.2Å; S861-D865 PolarHBondContact O-N 3.37Å; S861-D865 VanDerWaalsContact O-N 3.14Å; L862-D865 PolarHBondContact O-N 3.33Å; D865-K869 WeakPolarHBondContact O-CD 3.24Å; D865-K869 VanDerWaalsContact O-CG 3.29Å; D865-K869 WeakPolarHBondContact O-CG 3.44Å; D865-K869 PolarHBondContact O-N 2.97Å; D865-K869 WeakPolarHBondContact OD1-CE 3.45Å; D865-K869 IonicContact OD1-NZ 2.83Å; D865-K869 PolarHBondContact OD1-NZ 3.08Å; D865-K869 IonicContact OD2-NZ 3.38Å; D865-K869 PolarHBondContact OD2-NZ 3.17Å
866	A	95.6	Very high	93.5	Very high	14 Å²	14	40.1 Å²	40.1	12%	0.116	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-42.7	172	0	0	0	0	0	112.2	F807 P818 L862 Y868 K869 L870	F807-A866 HydrophobicContact CD2-CB 4.42Å; F807-A866 HydrophobicContact CE2-CB 3.88Å; P818-A866 HydrophobicContact CG-CB 3.41Å; P818-A866 VanDerWaalsContact CG-CB 3.41Å; L862-A866 WeakPolarHBondContact O-CB 3.41Å; L862-A866 PolarHBondContact O-N 3.37Å; A866-Y868 VanDerWaalsContact C-N 3.34Å; A866-Y868 PolarHBondContact O-N 3.01Å; A866-K869 PolarHBondContact O-N 2.93Å; A866-K869 VanDerWaalsContact O-N 3.16Å; A866-L870 WeakPolarHBondContact O-CB 3.45Å; A866-L870 WeakPolarHBondContact O-CG 3.45Å; A866-L870 PolarHBondContact O-N 2.96Å
867	L	95.1	Very high	94	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-56.2	-47.8	178.7	-177.4	60.5	0	0	0	111.5	V499 E500 L727 F807 R863 M864 S871	V499-L867 HydrophobicContact CG2-CD1 3.95Å; E500-L867 HydrophobicContact CB-CD1 3.86Å; L727-L867 HydrophobicContact CD1-CG 4.31Å; F807-L867 HydrophobicContact CE1-CD1 3.91Å; F807-L867 HydrophobicContact CZ-CB 3.99Å; F807-L867 HydrophobicContact CZ-CD1 3.88Å; R863-L867 VanDerWaalsContact O-CB 3.24Å; R863-L867 WeakPolarHBondContact O-CB 3.27Å; R863-L867 PolarHBondContact O-N 2.8Å; M864-L867 HydrophobicContact CE-CD2 3.67Å; M864-L867 PolarHBondContact O-N 2.83Å; M864-L867 HydrophobicContact SD-CD2 4.13Å; L867-S871 WeakPolarHBondContact O-CB 3.44Å; L867-S871 PolarHBondContact O-N 3.38Å; L867-S871 PolarHBondContact O-OG 3.2Å
868	Y	95.3	Very high	94.6	Very high	59 Å²	59	43.4 Å²	43.4	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-43.2	177.8	-66	-3.6	0	0	0	111.6	L727 F729 M864 A866 I872 Y899	L727-Y868 HydrophobicContact CD1-CD1 4.04Å; L727-Y868 HydrophobicContact CD1-CE1 4.41Å; L727-Y868 HydrophobicContact CD2-CE1 4.18Å; F729-Y868 HydrophobicContact CE1-CD1 4.31Å; F729-Y868 AromaticContact CE1-CD2 3.93Å; F729-Y868 HydrophobicContact CE1-CD2 3.93Å; F729-Y868 HydrophobicContact CE1-CE2 4.37Å; F729-Y868 AromaticContact CE1-CG 3.9Å; F729-Y868 HydrophobicContact CE1-CG 3.9Å; F729-Y868 AromaticContact CZ-CD1 3.93Å; F729-Y868 HydrophobicContact CZ-CD1 3.93Å; F729-Y868 HydrophobicContact CZ-CD2 4.35Å; F729-Y868 HydrophobicContact CZ-CE1 4.48Å; F729-Y868 AromaticContact CZ-CG 3.86Å; F729-Y868 HydrophobicContact CZ-CG 3.86Å; M864-Y868 PolarHBondContact O-N 3.42Å; A866-Y868 VanDerWaalsContact C-N 3.34Å; A866-Y868 PolarHBondContact O-N 3.01Å; Y868-I872 WeakPolarHBondContact O-CB 3.25Å; Y868-I872 WeakPolarHBondContact O-CD1 3.28Å; Y868-I872 WeakPolarHBondContact O-CG1 3.4Å; Y868-I872 PolarHBondContact O-N 2.65Å; Y868-Y899 HydrophobicContact CD2-CD1 4.43Å; Y868-Y899 HydrophobicContact CD2-CE1 4.13Å
869	K	96.5	Very high	95	Very high	40 Å²	40	42 Å²	42	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-47.8	177.8	-74.3	167.8	-174.3	167	0	112.9	D865 A866 A873 Y899	D865-K869 WeakPolarHBondContact O-CD 3.24Å; D865-K869 VanDerWaalsContact O-CG 3.29Å; D865-K869 WeakPolarHBondContact O-CG 3.44Å; D865-K869 PolarHBondContact O-N 2.97Å; D865-K869 WeakPolarHBondContact OD1-CE 3.45Å; D865-K869 IonicContact OD1-NZ 2.83Å; D865-K869 PolarHBondContact OD1-NZ 3.08Å; D865-K869 IonicContact OD2-NZ 3.38Å; D865-K869 PolarHBondContact OD2-NZ 3.17Å; A866-K869 PolarHBondContact O-N 2.93Å; A866-K869 VanDerWaalsContact O-N 3.16Å; K869-A873 WeakPolarHBondContact O-CB 3.35Å; K869-A873 PolarHBondContact O-N 3.46Å; K869-Y899 VanDerWaalsContact CE-O 3.29Å; K869-Y899 WeakPolarHBondContact CE-O 3.04Å; K869-Y899 WeakPolarHBondContact CG-O 3.47Å
870	L	97.7	Very high	95.4	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-72.9	-34.9	-177.8	-63	177.7	0	0	0	111.8	V499 L800 I803 F807 A866 A873 H874	V499-L870 HydrophobicContact CG2-CB 3.64Å; L800-L870 HydrophobicContact CD1-CD2 3.88Å; I803-L870 HydrophobicContact CG2-CD1 3.91Å; I803-L870 HydrophobicContact CG2-CD2 3.52Å; I803-L870 HydrophobicContact CG2-CG 4.38Å; F807-L870 HydrophobicContact CB-CD1 4.03Å; F807-L870 HydrophobicContact CD1-CD1 4.31Å; F807-L870 HydrophobicContact CD2-CD1 3.67Å; F807-L870 HydrophobicContact CE2-CD1 4.16Å; F807-L870 HydrophobicContact CG-CD1 3.75Å; A866-L870 WeakPolarHBondContact O-CB 3.45Å; A866-L870 WeakPolarHBondContact O-CG 3.45Å; A866-L870 PolarHBondContact O-N 2.96Å; L870-A873 PolarHBondContact O-N 2.83Å; L870-H874 VanDerWaalsContact O-CB 3.28Å; L870-H874 WeakPolarHBondContact O-CB 3.2Å; L870-H874 PolarHBondContact O-N 2.8Å
871	S	97.9	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-42.9	174.2	-53.9	0	0	0	0	111.5	V499 L867 H874 H875	V499-S871 PolarHBondContact N-OG 2.88Å; L867-S871 WeakPolarHBondContact O-CB 3.44Å; L867-S871 PolarHBondContact O-N 3.38Å; L867-S871 PolarHBondContact O-OG 3.2Å; S871-H874 PolarHBondContact O-N 2.88Å; S871-H875 WeakPolarHBondContact O-CB 3.43Å; S871-H875 PolarHBondContact O-N 2.94Å
872	I	98.1	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-43.7	172.9	-66.4	167.6	0	0	0	110.4	I496 F729 M734 Y868 H874 H875 M876 Y899 F900	I496-I872 HydrophobicContact CD1-CB 4.47Å; I496-I872 HydrophobicContact CD1-CG1 3.79Å; F729-I872 HydrophobicContact CE1-CD1 4.37Å; F729-I872 HydrophobicContact CE2-CG1 4.43Å; F729-I872 HydrophobicContact CZ-CD1 4.3Å; F729-I872 HydrophobicContact CZ-CG1 4.5Å; M734-I872 HydrophobicContact CE-CG1 4.16Å; M734-I872 HydrophobicContact SD-CD1 4.17Å; M734-I872 HydrophobicContact SD-CG1 3.88Å; M734-I872 HydrophobicContact SD-CG2 3.98Å; Y868-I872 WeakPolarHBondContact O-CB 3.25Å; Y868-I872 WeakPolarHBondContact O-CD1 3.28Å; Y868-I872 WeakPolarHBondContact O-CG1 3.4Å; Y868-I872 PolarHBondContact O-N 2.65Å; I872-H874 VanDerWaalsContact C-N 3.33Å; I872-H874 PolarHBondContact O-N 2.67Å; I872-H875 PolarHBondContact O-N 3.33Å; I872-M876 HydrophobicContact CG2-CG 4.45Å; I872-M876 WeakPolarHBondContact O-CB 3.43Å; I872-M876 WeakPolarHBondContact O-CG 3.46Å; I872-M876 PolarHBondContact O-N 3.32Å; I872-M876 VanDerWaalsContact O-N 3.08Å; I872-Y899 HydrophobicContact CD1-CD2 3.93Å; I872-Y899 HydrophobicContact CD1-CG 4.22Å; I872-F900 HydrophobicContact CB-CB 4.18Å; I872-F900 HydrophobicContact CG2-CB 3.79Å; I872-F900 HydrophobicContact CG2-CD1 4.07Å; I872-F900 HydrophobicContact CG2-CG 4.25Å
873	A	98.1	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-42.9	175.2	0	0	0	0	0	112.1	L800 K869 L870 M876 R877 F900 T911	L800-A873 HydrophobicContact CD1-CB 3.85Å; L800-A873 HydrophobicContact CD2-CB 3.97Å; K869-A873 WeakPolarHBondContact O-CB 3.35Å; K869-A873 PolarHBondContact O-N 3.46Å; L870-A873 PolarHBondContact O-N 2.83Å; A873-M876 CarbonylContact O-C 3.55Å; A873-M876 PolarHBondContact O-N 3.29Å; A873-M876 VanDerWaalsContact O-N 3.15Å; A873-R877 PolarHBondContact O-N 2.86Å; A873-F900 HydrophobicContact CB-CD2 4.01Å; A873-F900 HydrophobicContact CB-CE1 4.26Å; A873-F900 HydrophobicContact CB-CE2 3.63Å; A873-F900 HydrophobicContact CB-CG 4.5Å; A873-F900 HydrophobicContact CB-CZ 3.76Å; A873-T911 HydrophobicContact CB-CG2 3.98Å
874	H	97.9	Very high	96.9	Very high	84 Å²	84	32.4 Å²	32.4	39%	0.389	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-43.5	178.2	-170.3	83.6	0	0	0	112.2	V499 L800 I804 L870 S871 I872 M876 R877	V499-H874 HydrophobicContact CG1-CB 3.42Å; V499-H874 VanDerWaalsContact CG1-CB 3.42Å; L800-H874 HydrophobicContact CD2-CB 4.4Å; I804-H874 HydrophobicContact CD1-CB 4.29Å; L870-H874 VanDerWaalsContact O-CB 3.28Å; L870-H874 WeakPolarHBondContact O-CB 3.2Å; L870-H874 PolarHBondContact O-N 2.8Å; S871-H874 PolarHBondContact O-N 2.88Å; I872-H874 VanDerWaalsContact C-N 3.33Å; I872-H874 PolarHBondContact O-N 2.67Å; H874-M876 PolarHBondContact O-N 3.3Å; H874-M876 VanDerWaalsContact O-N 3.13Å; H874-R877 WeakPolarHBondContact O-CB 3.2Å; H874-R877 PolarHBondContact O-N 2.73Å
875	H	97.8	Very high	97.3	Very high	58 Å²	58	30.3 Å²	30.3	27%	0.269	15%	0.145	S	C	.	.	H	α-helix	trans	-60.9	-22.5	172.8	-176	81.8	0	0	0	113	I496 S871 I872 K879	I496-H875 HydrophobicContact CB-CB 4.06Å; I496-H875 HydrophobicContact CD1-CB 4.23Å; I496-H875 HydrophobicContact CG2-CB 3.98Å; I496-H875 VanDerWaalsContact CG2-CG 3.45Å; I496-H875 WeakPolarHBondContact CG2-ND1 3.32Å; S871-H875 WeakPolarHBondContact O-CB 3.43Å; S871-H875 PolarHBondContact O-N 2.94Å; I872-H875 PolarHBondContact O-N 3.33Å; H875-K879 PolarHBondContact CD2-NZ 2.9Å; H875-K879 VanDerWaalsContact CD2-NZ 3.3Å; H875-K879 PolarHBondContact CE1-NZ 3.06Å; H875-K879 VanDerWaalsContact CE1-NZ 3.34Å; H875-K879 PolarHBondContact NE2-NZ 3.09Å; H875-K879 WeakPolarHBondContact O-CD 3.16Å; H875-K879 WeakPolarHBondContact O-CE 3.24Å; H875-K879 PolarHBondContact O-NZ 3.02Å
876	M	97.9	Very high	97.4	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.02	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	4	178.2	-56.7	-63.6	-72.1	0	0	113.5	P735 L737 V795 I872 A873 H874 D878 K879 F881	P735-M876 HydrophobicContact CB-CE 3.94Å; P735-M876 HydrophobicContact CG-CE 4.07Å; P735-M876 HydrophobicContact CG-CG 4.39Å; L737-M876 HydrophobicContact CD2-CE 3.54Å; L737-M876 HydrophobicContact CD2-SD 4.23Å; V795-M876 HydrophobicContact CG2-CB 4.37Å; I872-M876 HydrophobicContact CG2-CG 4.45Å; I872-M876 WeakPolarHBondContact O-CB 3.43Å; I872-M876 WeakPolarHBondContact O-CG 3.46Å; I872-M876 PolarHBondContact O-N 3.32Å; I872-M876 VanDerWaalsContact O-N 3.08Å; A873-M876 CarbonylContact O-C 3.55Å; A873-M876 PolarHBondContact O-N 3.29Å; A873-M876 VanDerWaalsContact O-N 3.15Å; H874-M876 PolarHBondContact O-N 3.3Å; H874-M876 VanDerWaalsContact O-N 3.13Å; M876-D878 VanDerWaalsContact C-N 3.26Å; M876-D878 PolarHBondContact O-N 2.87Å; M876-K879 HydrophobicContact CE-CB 4.37Å; M876-K879 HydrophobicContact CE-CD 4.47Å; M876-K879 PolarHBondContact O-N 2.73Å; M876-K879 HydrophobicContact SD-CD 3.91Å; M876-F881 HydrophobicContact CB-CD1 4.07Å; M876-F881 HydrophobicContact CB-CE1 3.86Å; M876-F881 HydrophobicContact CE-CB 3.38Å; M876-F881 HydrophobicContact CE-CD1 3.54Å; M876-F881 HydrophobicContact CE-CD2 4.38Å; M876-F881 HydrophobicContact CE-CE1 4.42Å; M876-F881 HydrophobicContact CE-CG 3.51Å
877	R	97.5	Very high	97.4	Very high	65 Å²	65	28 Å²	28	25%	0.245	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.6	-172.3	-174.1	170	-178.8	-89.2	6.2	114	V795 K797 L800 D801 A873 H874	V795-R877 HydrophobicContact CG1-CG 4.45Å; K797-R877 HydrophobicContact CD-CG 4.14Å; K797-R877 VanDerWaalsContact CE-O 3.28Å; K797-R877 WeakPolarHBondContact CE-O 3.33Å; K797-R877 HydrophobicContact CG-CG 4.04Å; L800-R877 HydrophobicContact CD2-CG 4.46Å; D801-R877 VanDerWaalsContact CG-NH2 3.26Å; D801-R877 IonicContact OD1-CZ 2.72Å; D801-R877 IonicContact OD1-NE 3.86Å; D801-R877 PolarHBondContact OD1-NE 2.77Å; D801-R877 IonicContact OD1-NH2 2.62Å; D801-R877 PolarHBondContact OD1-NH2 3.29Å; D801-R877 IonicContact OD2-CZ 2.62Å; D801-R877 IonicContact OD2-NE 2.72Å; D801-R877 IonicContact OD2-NH2 2.77Å; D801-R877 PolarHBondContact OD2-NH2 2.85Å; A873-R877 PolarHBondContact O-N 2.86Å; H874-R877 WeakPolarHBondContact O-CB 3.2Å; H874-R877 PolarHBondContact O-N 2.73Å
878	D	97.3	Very high	97.3	Very high	113 Å²	113	28.1 Å²	28.1	60%	0.604	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	17.7	-176.9	-62	-76.5	0	0	0	112.7	K797 M876	K797-D878 WeakPolarHBondContact CE-OD1 3.43Å; K797-D878 IonicContact NZ-OD1 2.63Å; K797-D878 PolarHBondContact NZ-OD1 3.29Å; M876-D878 VanDerWaalsContact C-N 3.26Å; M876-D878 PolarHBondContact O-N 2.87Å
879	K	97.2	Very high	97.1	Very high	60 Å²	60	30.8 Å²	30.8	26%	0.261	14%	0.144	S	C	.	.			trans	-116	149.2	-177.4	-62.7	173.1	-173.8	152.2	0	110.9	L737 H875 M876 F881	L737-K879 HydrophobicContact CD2-CB 4.36Å; L737-K879 HydrophobicContact CD2-CD 3.96Å; H875-K879 PolarHBondContact CD2-NZ 2.9Å; H875-K879 VanDerWaalsContact CD2-NZ 3.3Å; H875-K879 PolarHBondContact CE1-NZ 3.06Å; H875-K879 VanDerWaalsContact CE1-NZ 3.34Å; H875-K879 PolarHBondContact NE2-NZ 3.09Å; H875-K879 WeakPolarHBondContact O-CD 3.16Å; H875-K879 WeakPolarHBondContact O-CE 3.24Å; H875-K879 PolarHBondContact O-NZ 3.02Å; M876-K879 HydrophobicContact CE-CB 4.37Å; M876-K879 HydrophobicContact CE-CD 4.47Å; M876-K879 PolarHBondContact O-N 2.73Å; M876-K879 HydrophobicContact SD-CD 3.91Å; K879-F881 HydrophobicContact CB-CD1 4.48Å; K879-F881 WeakPolarHBondContact O-CD1 3.35Å
880	L	98.1	Very high	96.8	Very high	53 Å²	53	35.2 Å²	35.2	28%	0.277	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.6	165	-49.9	-178.9	0	0	0	107.9	F473 R481 W793 R794 A915	F473-L880 HydrophobicContact CE1-CB 4.49Å; F473-L880 HydrophobicContact CE1-CD1 3.79Å; F473-L880 HydrophobicContact CZ-CB 4.22Å; F473-L880 HydrophobicContact CZ-CD1 3.72Å; R481-L880 PolarHBondContact NH1-O 2.9Å; W793-L880 WeakPolarHBondContact O-CA 3.49Å; R794-L880 HydrophobicContact CB-CD2 3.58Å; L880-A915 HydrophobicContact CB-CB 4.36Å; L880-A915 HydrophobicContact CD1-CB 4.41Å; L880-A915 HydrophobicContact CD2-CB 4Å; L880-A915 HydrophobicContact CG-CB 4.49Å
881	F	98.6	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166.9	-166.6	52.9	-93.8	0	0	0	113.9	P735 M736 W793 V795 M876 K879 F883 F900 L912	P735-F881 HydrophobicContact CB-CB 3.98Å; P735-F881 HydrophobicContact CB-CD2 3.58Å; P735-F881 HydrophobicContact CB-CE2 4.39Å; P735-F881 HydrophobicContact CB-CG 3.98Å; P735-F881 HydrophobicContact CG-CD2 4.12Å; P735-F881 HydrophobicContact CG-CE2 4.5Å; M736-F881 CarbonylContact O-C 3.59Å; M736-F881 WeakPolarHBondContact O-CA 3.24Å; M736-F881 VanDerWaalsContact O-CB 3.25Å; M736-F881 WeakPolarHBondContact O-CB 3.3Å; W793-F881 HydrophobicContact CB-CD2 3.94Å; W793-F881 HydrophobicContact CB-CE2 3.59Å; W793-F881 HydrophobicContact CB-CZ 4.16Å; W793-F881 PolarHBondContact N-O 2.92Å; W793-F881 PolarHBondContact O-N 3.02Å; V795-F881 HydrophobicContact CG2-CE1 4.02Å; V795-F881 HydrophobicContact CG2-CZ 4.1Å; M876-F881 HydrophobicContact CB-CD1 4.07Å; M876-F881 HydrophobicContact CB-CE1 3.86Å; M876-F881 HydrophobicContact CE-CB 3.38Å; M876-F881 HydrophobicContact CE-CD1 3.54Å; M876-F881 HydrophobicContact CE-CD2 4.38Å; M876-F881 HydrophobicContact CE-CE1 4.42Å; M876-F881 HydrophobicContact CE-CG 3.51Å; K879-F881 HydrophobicContact CB-CD1 4.48Å; K879-F881 WeakPolarHBondContact O-CD1 3.35Å; F881-F883 HydrophobicContact CD2-CE2 4.35Å; F881-F883 HydrophobicContact CD2-CZ 4.18Å; F881-F883 AromaticContact CE2-CE2 3.96Å; F881-F883 HydrophobicContact CE2-CE2 3.96Å; F881-F883 AromaticContact CE2-CZ 3.76Å; F881-F883 HydrophobicContact CE2-CZ 3.76Å; F881-F900 HydrophobicContact CE2-CE1 4.22Å; F881-F900 HydrophobicContact CZ-CE1 4.02Å; F881-L912 HydrophobicContact CE2-CD2 3.71Å; F881-L912 HydrophobicContact CZ-CD2 3.68Å
882	W	98.6	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.4	-175	-70.4	-97	0	0	0	112.2	L471 F473 M736 L737 P739 P740 N790 A792 P884	L471-W882 HydrophobicContact CD1-CZ2 4.24Å; F473-W882 HydrophobicContact CD2-CZ2 4.4Å; F473-W882 HydrophobicContact CE1-CH2 4Å; F473-W882 AromaticContact CE2-CH2 3.85Å; F473-W882 HydrophobicContact CE2-CH2 3.85Å; F473-W882 AromaticContact CE2-CZ2 3.69Å; F473-W882 HydrophobicContact CE2-CZ2 3.69Å; F473-W882 AromaticContact CZ-CH2 3.52Å; F473-W882 HydrophobicContact CZ-CH2 3.52Å; F473-W882 AromaticContact CZ-CZ2 3.84Å; F473-W882 HydrophobicContact CZ-CZ2 3.84Å; M736-W882 HydrophobicContact CB-CB 4.48Å; M736-W882 PolarHBondContact N-O 2.98Å; M736-W882 PolarHBondContact O-N 2.86Å; L737-W882 WeakPolarHBondContact O-CZ3 3.47Å; P739-W882 HydrophobicContact CG-CD2 4.4Å; P739-W882 HydrophobicContact CG-CH2 4.34Å; P739-W882 HydrophobicContact CG-CZ2 3.77Å; P740-W882 HydrophobicContact CG-CB 4Å; N790-W882 PolarHBondContact O-NE1 2.94Å; A792-W882 HydrophobicContact CB-CD2 4.44Å; A792-W882 HydrophobicContact CB-CZ2 3.76Å; W882-P884 WeakPolarHBondContact O-CD 3.34Å
883	F	98.4	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.			trans	-110.2	98.3	174.3	-70.6	-61.5	0	0	0	109.7	P735 S789 W793 F881 H885 P895 P897 F900 N901 H902 L912	P735-F883 HydrophobicContact CB-CD1 4.3Å; P735-F883 HydrophobicContact CB-CE1 3.91Å; P735-F883 HydrophobicContact CG-CE1 3.86Å; P735-F883 HydrophobicContact CG-CZ 4.41Å; S789-F883 WeakPolarHBondContact CA-O 3.36Å; W793-F883 HydrophobicContact CB-CE2 4.19Å; W793-F883 AromaticContact CD1-CD2 3.48Å; W793-F883 VanDerWaalsContact CD1-CD2 3.48Å; W793-F883 AromaticContact CD1-CE2 3.86Å; W793-F883 HydrophobicContact CD2-CD2 4.32Å; W793-F883 HydrophobicContact CD2-CE2 4.15Å; W793-F883 AromaticContact CG-CD2 3.91Å; W793-F883 HydrophobicContact CG-CD2 3.91Å; W793-F883 AromaticContact CG-CE2 3.79Å; W793-F883 HydrophobicContact CG-CE2 3.79Å; W793-F883 AromaticContact NE1-CD2 3.66Å; F881-F883 HydrophobicContact CD2-CE2 4.35Å; F881-F883 HydrophobicContact CD2-CZ 4.18Å; F881-F883 AromaticContact CE2-CE2 3.96Å; F881-F883 HydrophobicContact CE2-CE2 3.96Å; F881-F883 AromaticContact CE2-CZ 3.76Å; F881-F883 HydrophobicContact CE2-CZ 3.76Å; F883-H885 PolarHBondContact O-CE1 3.43Å; F883-H885 PolarHBondContact O-N 3.41Å; F883-H885 PolarHBondContact O-ND1 3.49Å; F883-P895 HydrophobicContact CB-CB 4.16Å; F883-P895 HydrophobicContact CB-CG 4.44Å; F883-P895 HydrophobicContact CD1-CB 4.35Å; F883-P895 HydrophobicContact CG-CB 4.43Å; F883-P897 HydrophobicContact CD1-CB 4.47Å; F883-P897 HydrophobicContact CD1-CG 4.24Å; F883-F900 WeakPolarHBondContact CE1-O 3.38Å; F883-N901 HydrophobicContact CD1-CB 4.09Å; F883-N901 HydrophobicContact CE1-CB 3.84Å; F883-N901 HydrophobicContact CZ-CB 4.21Å; F883-H902 AromaticContact CD2-ND1 3.87Å; F883-L912 HydrophobicContact CE2-CD1 4.11Å; F883-L912 HydrophobicContact CE2-CD2 4.14Å; F883-L912 HydrophobicContact CZ-CD1 4.12Å; F883-L912 HydrophobicContact CZ-CD2 4.21Å
884	P	98.1	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.			trans	-57.8	137.4	168.3	23.5	-32.8	0	0	0	110.2	M736 P740 A750 Y751 W882 P895 C896 P897	M736-P884 HydrophobicContact CG-CG 4.02Å; M736-P884 HydrophobicContact SD-CB 4.05Å; M736-P884 HydrophobicContact SD-CG 3.65Å; P740-P884 HydrophobicContact CB-CB 4.1Å; P740-P884 HydrophobicContact CG-CB 4.02Å; A750-P884 HydrophobicContact CB-CB 3.67Å; Y751-P884 HydrophobicContact CD1-CG 4.28Å; Y751-P884 HydrophobicContact CE1-CG 3.84Å; W882-P884 WeakPolarHBondContact O-CD 3.34Å; P884-P895 CarbonylContact O-C 3.47Å; P884-P895 WeakPolarHBondContact O-CA 3.44Å; P884-C896 HydrophobicContact CG-CB 4.32Å; P884-C896 PolarHBondContact O-N 3.07Å; P884-P897 HydrophobicContact CG-CG 4.47Å
885	H	98.2	Very high	96.3	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.9	-179.1	-74.7	73	0	0	0	112.7	W743 L785 L788 S789 F883 Y894 H902	W743-H885 PolarHBondContact NE1-O 2.93Å; L785-H885 HydrophobicContact CD2-CB 3.81Å; L788-H885 HydrophobicContact CB-CB 4.46Å; L788-H885 PolarHBondContact O-CE1 2.86Å; L788-H885 PolarHBondContact O-ND1 3.36Å; S789-H885 PolarHBondContact OG-N 3.41Å; F883-H885 PolarHBondContact O-CE1 3.43Å; F883-H885 PolarHBondContact O-N 3.41Å; F883-H885 PolarHBondContact O-ND1 3.49Å; H885-Y894 WeakPolarHBondContact CA-O 3.42Å; H885-H902 AromaticContact CE1-CE1 3.77Å; H885-H902 AromaticContact NE2-CE1 3.48Å; H885-H902 PolarHBondContact NE2-CE1 3.42Å; H885-H902 AromaticContact NE2-NE2 3.89Å
886	N	96.1	Very high	96.3	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	-170	163	68.4	4.2	0	0	0	109.6	W743 K757 L758 R760 T893 Y894 C896	W743-N886 HydrophobicContact CZ2-CB 4.32Å; K757-N886 WeakPolarHBondContact O-CB 3.29Å; K757-N886 PolarHBondContact O-ND2 2.93Å; K757-N886 VanDerWaalsContact O-ND2 3.08Å; L758-N886 WeakPolarHBondContact O-CB 3.49Å; R760-N886 PolarHBondContact NE-OD1 3.15Å; R760-N886 PolarHBondContact NH2-OD1 2.84Å; N886-T893 CarbonylContact O-C 3.49Å; N886-T893 VanDerWaalsContact O-CA 3.3Å; N886-T893 WeakPolarHBondContact O-CA 3.37Å; N886-Y894 PolarHBondContact N-O 3.18Å; N886-Y894 PolarHBondContact O-N 2.88Å; N886-Y894 PolarHBondContact OD1-O 2.86Å; N886-C896 VanDerWaalsContact CG-SG 3.52Å
887	M	95.4	Very high	96.2	Very high	19 Å²	19	42.3 Å²	42.3	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	163.5	-177.1	61	179.1	-129.6	0	0	115.2	L758 M759 R760 V781 R892	L758-M887 WeakPolarHBondContact O-CG 3.47Å; L758-M887 PolarHBondContact O-N 3.35Å; M759-M887 CarbonylContact C-O 3.56Å; M759-M887 VanDerWaalsContact CA-O 3.31Å; M759-M887 WeakPolarHBondContact CA-O 3.36Å; M759-M887 HydrophobicContact CE-CE 3.45Å; M759-M887 VanDerWaalsContact CE-CE 3.45Å; R760-M887 PolarHBondContact N-O 3.48Å; V781-M887 HydrophobicContact CG1-CE 4.48Å; V781-M887 HydrophobicContact CG1-SD 3.59Å; V781-M887 VanDerWaalsContact CG1-SD 3.59Å; M887-R892 CarbonylContact C-O 3.52Å; M887-R892 WeakPolarHBondContact CA-O 3.27Å; M887-R892 VanDerWaalsContact CB-O 3.31Å; M887-R892 WeakPolarHBondContact CB-O 3.16Å
888	D	93.1	Very high	96	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	172.9	166.7	75.8	4.2	0	0	0	112.5	R890 G891 R892 Y894	D888-R890 PolarHBondContact O-N 3.49Å; D888-R890 VanDerWaalsContact OD1-CA 3.32Å; D888-R890 WeakPolarHBondContact OD1-CA 3.45Å; D888-R890 WeakPolarHBondContact OD1-CB 3.5Å; D888-R890 PolarHBondContact OD1-N 2.91Å; D888-R890 IonicContact OD1-NE 3.47Å; D888-R890 IonicContact OD2-CZ 3.28Å; D888-R890 IonicContact OD2-NE 3.28Å; D888-R890 PolarHBondContact OD2-NE 3.3Å; D888-R890 IonicContact OD2-NH2 3.78Å; D888-R890 PolarHBondContact OD2-NH2 3.07Å; D888-G891 PolarHBondContact O-N 3.26Å; D888-G891 PolarHBondContact OD1-N 3.26Å; D888-R892 PolarHBondContact N-O 2.8Å; D888-R892 WeakPolarHBondContact OD1-CB 3.46Å; D888-R892 PolarHBondContact OD1-N 2.67Å; D888-R892 IonicContact OD2-NE 2.77Å; D888-Y894 HydrophobicContact CB-CE2 3.84Å
889	F	89.9	Confident	95.9	Very high	115 Å²	115	40.8 Å²	40.8	50%	0.504	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	1.6	175.7	76.5	-84.5	0	0	0	115.9	M759	M759-F889 HydrophobicContact SD-CB 4.05Å
890	R	91.5	Very high	95.9	Very high	132 Å²	132	38.2 Å²	38.2	50%	0.498	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	10.6	179.9	-50.4	170.6	-69	-146.2	-6	111.8	D888	D888-R890 PolarHBondContact O-N 3.49Å; D888-R890 VanDerWaalsContact OD1-CA 3.32Å; D888-R890 WeakPolarHBondContact OD1-CA 3.45Å; D888-R890 WeakPolarHBondContact OD1-CB 3.5Å; D888-R890 PolarHBondContact OD1-N 2.91Å; D888-R890 IonicContact OD1-NE 3.47Å; D888-R890 IonicContact OD2-CZ 3.28Å; D888-R890 IonicContact OD2-NE 3.28Å; D888-R890 PolarHBondContact OD2-NE 3.3Å; D888-R890 IonicContact OD2-NH2 3.78Å; D888-R890 PolarHBondContact OD2-NH2 3.07Å
891	G	91.4	Very high	95.8	Very high	44 Å²	44	36.4 Å²	36.4	45%	0.454	18%	0.178	S	C	.	.	S	Bend	trans	73.1	20.4	-179.6	0	0	0	0	0	114.9	D888	D888-G891 PolarHBondContact O-N 3.26Å; D888-G891 PolarHBondContact OD1-N 3.26Å
892	R	95.4	Very high	95.7	Very high	116 Å²	116	38.4 Å²	38.4	44%	0.438	19%	0.187	S	C	.	.			trans	-86.4	130.9	171.8	-55.4	-175.4	-164.7	170.7	10.4	110.1	M887 D888 Y894	M887-R892 CarbonylContact C-O 3.52Å; M887-R892 WeakPolarHBondContact CA-O 3.27Å; M887-R892 VanDerWaalsContact CB-O 3.31Å; M887-R892 WeakPolarHBondContact CB-O 3.16Å; D888-R892 PolarHBondContact N-O 2.8Å; D888-R892 WeakPolarHBondContact OD1-CB 3.46Å; D888-R892 PolarHBondContact OD1-N 2.67Å; D888-R892 IonicContact OD2-NE 2.77Å; R892-Y894 HydrophobicContact CB-CE2 3.77Å; R892-Y894 WeakPolarHBondContact O-CD2 3.45Å; R892-Y894 VanDerWaalsContact O-CE2 3.27Å; R892-Y894 WeakPolarHBondContact O-CE2 3.47Å
893	T	97.1	Very high	95.5	Very high	56 Å²	56	42.5 Å²	42.5	34%	0.344	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.9	-177.1	55.7	0	0	0	0	112.5	L785 L788 N886	L785-T893 HydrophobicContact CD2-CG2 3.67Å; L788-T893 HydrophobicContact CD1-CG2 3.71Å; N886-T893 CarbonylContact O-C 3.49Å; N886-T893 VanDerWaalsContact O-CA 3.3Å; N886-T893 WeakPolarHBondContact O-CA 3.37Å
894	Y	97.6	Very high	95.2	Very high	69 Å²	69	43.5 Å²	43.5	27%	0.271	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	137.2	178.1	-62	-89.1	0	0	0	110.8	R760 H885 N886 D888 R892 C896 L903	R760-Y894 VanDerWaalsContact NH2-CB 3.34Å; R760-Y894 PolarHBondContact NH2-O 2.81Å; H885-Y894 WeakPolarHBondContact CA-O 3.42Å; N886-Y894 PolarHBondContact N-O 3.18Å; N886-Y894 PolarHBondContact O-N 2.88Å; N886-Y894 PolarHBondContact OD1-O 2.86Å; D888-Y894 HydrophobicContact CB-CE2 3.84Å; R892-Y894 HydrophobicContact CB-CE2 3.77Å; R892-Y894 WeakPolarHBondContact O-CD2 3.45Å; R892-Y894 VanDerWaalsContact O-CE2 3.27Å; R892-Y894 WeakPolarHBondContact O-CE2 3.47Å; Y894-C896 PolarHBondContact O-N 2.84Å; Y894-L903 HydrophobicContact CD1-CD1 3.63Å; Y894-L903 HydrophobicContact CE1-CD1 4.34Å; Y894-L903 HydrophobicContact CG-CD1 4.31Å
895	P	97.7	Very high	95	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	132	167.2	-28.8	38.1	0	0	0	112.2	R760 F883 P884 N901 L903	R760-P895 VanDerWaalsContact NH2-C 3.3Å; R760-P895 PolarHBondContact NH2-O 2.62Å; F883-P895 HydrophobicContact CB-CB 4.16Å; F883-P895 HydrophobicContact CB-CG 4.44Å; F883-P895 HydrophobicContact CD1-CB 4.35Å; F883-P895 HydrophobicContact CG-CB 4.43Å; P884-P895 CarbonylContact O-C 3.47Å; P884-P895 WeakPolarHBondContact O-CA 3.44Å; P895-N901 HydrophobicContact CB-CB 3.79Å; P895-N901 HydrophobicContact CG-CB 3.96Å; P895-L903 HydrophobicContact CG-CG 4.49Å
896	C	96.8	Very high	95	Very high	17 Å²	17	46.5 Å²	46.5	12%	0.115	24%	0.238	C	C	.	.	S	Bend	trans	-63	-42.6	176.7	-60.5	0	0	0	0	112.8	Y751 P884 N886 Y894 P898	Y751-C896 HydrophobicContact CE2-CB 4.02Å; Y751-C896 WeakPolarHBondContact OH-CB 3.43Å; P884-C896 HydrophobicContact CG-CB 4.32Å; P884-C896 PolarHBondContact O-N 3.07Å; N886-C896 VanDerWaalsContact CG-SG 3.52Å; Y894-C896 PolarHBondContact O-N 2.84Å; C896-P898 WeakPolarHBondContact O-CD 3.44Å
897	P	96.6	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.			trans	-59.4	115.3	172.4	-27.3	38.8	0	0	0	111.7	M734 F883 P884 N901	M734-P897 VanDerWaalsContact O-CG 3.29Å; M734-P897 WeakPolarHBondContact O-CG 3.42Å; F883-P897 HydrophobicContact CD1-CB 4.47Å; F883-P897 HydrophobicContact CD1-CG 4.24Å; P884-P897 HydrophobicContact CG-CG 4.47Å; P897-N901 PolarHBondContact O-ND2 2.84Å
898	P	93.8	Very high	95	Very high	68 Å²	68	45.9 Å²	45.9	44%	0.442	24%	0.236	S	C	.	.	S	Bend	trans	-82.7	-30.4	-165.4	31.3	-35.1	0	0	0	114.4	V733 C896 N901	V733-P898 HydrophobicContact CB-CG 4.08Å; V733-P898 HydrophobicContact CG1-CG 4.13Å; C896-P898 WeakPolarHBondContact O-CD 3.44Å; P898-N901 PolarHBondContact O-ND2 3.29Å
899	Y	94.4	Very high	95.2	Very high	78 Å²	78	49 Å²	49	31%	0.306	25%	0.247	S	C	.	.	S	Bend	trans	-82.5	-67.1	-170.5	-58	-65.7	0	0	0	112.4	F729 V733 Y868 K869 I872	F729-Y899 HydrophobicContact CD1-CD2 4.46Å; F729-Y899 HydrophobicContact CD1-CE2 4.01Å; F729-Y899 HydrophobicContact CE1-CD2 4.42Å; F729-Y899 HydrophobicContact CE1-CE2 4.16Å; V733-Y899 HydrophobicContact CB-CD2 3.92Å; V733-Y899 HydrophobicContact CB-CE2 3.77Å; V733-Y899 HydrophobicContact CG1-CE2 4.11Å; V733-Y899 HydrophobicContact CG2-CD2 3.84Å; V733-Y899 HydrophobicContact CG2-CE2 3.66Å; Y868-Y899 HydrophobicContact CD2-CD1 4.43Å; Y868-Y899 HydrophobicContact CD2-CE1 4.13Å; K869-Y899 VanDerWaalsContact CE-O 3.29Å; K869-Y899 WeakPolarHBondContact CE-O 3.04Å; K869-Y899 WeakPolarHBondContact CG-O 3.47Å; I872-Y899 HydrophobicContact CD1-CD2 3.93Å; I872-Y899 HydrophobicContact CD1-CG 4.22Å
900	F	96.9	Very high	95.6	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	22%	0.224	C	C	.	.	S	Bend	trans	-104.5	108.6	-176.6	177.6	-113.9	0	0	0	109.9	P735 V795 I872 A873 F881 F883 T908 T911 L912	P735-F900 HydrophobicContact CG-CD1 4.28Å; V795-F900 HydrophobicContact CG2-CZ 4.39Å; I872-F900 HydrophobicContact CB-CB 4.18Å; I872-F900 HydrophobicContact CG2-CB 3.79Å; I872-F900 HydrophobicContact CG2-CD1 4.07Å; I872-F900 HydrophobicContact CG2-CG 4.25Å; A873-F900 HydrophobicContact CB-CD2 4.01Å; A873-F900 HydrophobicContact CB-CE1 4.26Å; A873-F900 HydrophobicContact CB-CE2 3.63Å; A873-F900 HydrophobicContact CB-CG 4.5Å; A873-F900 HydrophobicContact CB-CZ 3.76Å; F881-F900 HydrophobicContact CE2-CE1 4.22Å; F881-F900 HydrophobicContact CZ-CE1 4.02Å; F883-F900 WeakPolarHBondContact CE1-O 3.38Å; F900-T908 HydrophobicContact CD2-CG2 3.81Å; F900-T908 HydrophobicContact CE2-CG2 4.15Å; F900-T911 HydrophobicContact CE2-CG2 3.77Å; F900-T911 HydrophobicContact CZ-CG2 3.93Å; F900-L912 HydrophobicContact CE1-CD2 3.83Å; F900-L912 HydrophobicContact CE1-CG 4.35Å; F900-L912 HydrophobicContact CE2-CD1 4.3Å; F900-L912 HydrophobicContact CE2-CD2 4.48Å; F900-L912 HydrophobicContact CE2-CG 4.14Å; F900-L912 HydrophobicContact CZ-CD1 4.14Å; F900-L912 HydrophobicContact CZ-CD2 3.58Å; F900-L912 HydrophobicContact CZ-CG 3.69Å
901	N	96.6	Very high	95.9	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.08	20%	0.201	C	C	.	.	S	Bend	trans	-162.3	163.9	175.9	66	70.5	0	0	0	112.2	F883 P895 P897 P898 L903 G904 T908	F883-N901 HydrophobicContact CD1-CB 4.09Å; F883-N901 HydrophobicContact CE1-CB 3.84Å; F883-N901 HydrophobicContact CZ-CB 4.21Å; P895-N901 HydrophobicContact CB-CB 3.79Å; P895-N901 HydrophobicContact CG-CB 3.96Å; P897-N901 PolarHBondContact O-ND2 2.84Å; P898-N901 PolarHBondContact O-ND2 3.29Å; N901-L903 PolarHBondContact O-N 3.06Å; N901-L903 VanDerWaalsContact O-N 3.1Å; N901-L903 WeakPolarHBondContact OD1-CB 3.31Å; N901-L903 PolarHBondContact OD1-N 3.48Å; N901-G904 PolarHBondContact O-N 3.04Å; N901-T908 WeakPolarHBondContact O-CG2 3.5Å
902	H	95.3	Very high	96.2	Very high	43 Å²	43	35.6 Å²	35.6	20%	0.199	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.2	-174.7	67.8	-101	0	0	0	115.7	W793 F883 H885 G904 R909 L912	W793-H902 HydrophobicContact CH2-CB 3.87Å; W793-H902 HydrophobicContact CZ2-CB 4.17Å; W793-H902 AromaticContact CZ2-CG 3.94Å; W793-H902 AromaticContact CZ2-ND1 3.67Å; W793-H902 HydrophobicContact CZ3-CB 4.27Å; F883-H902 AromaticContact CD2-ND1 3.87Å; H885-H902 AromaticContact CE1-CE1 3.77Å; H885-H902 AromaticContact NE2-CE1 3.48Å; H885-H902 PolarHBondContact NE2-CE1 3.42Å; H885-H902 AromaticContact NE2-NE2 3.89Å; H902-G904 VanDerWaalsContact C-N 3.32Å; H902-R909 WeakPolarHBondContact O-CG 3.48Å; H902-L912 HydrophobicContact CB-CD1 4.08Å
903	L	95.2	Very high	96.4	Very high	86 Å²	86	30.4 Å²	30.4	45%	0.45	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.4	171.7	-65.3	-174.6	0	0	0	113.1	Y894 P895 N901	Y894-L903 HydrophobicContact CD1-CD1 3.63Å; Y894-L903 HydrophobicContact CE1-CD1 4.34Å; Y894-L903 HydrophobicContact CG-CD1 4.31Å; P895-L903 HydrophobicContact CG-CG 4.49Å; N901-L903 PolarHBondContact O-N 3.06Å; N901-L903 VanDerWaalsContact O-N 3.1Å; N901-L903 WeakPolarHBondContact OD1-CB 3.31Å; N901-L903 PolarHBondContact OD1-N 3.48Å
904	G	92.3	Very high	96.4	Very high	20 Å²	20	31.2 Å²	31.2	21%	0.206	16%	0.161	C	C	.	.	S	Bend	trans	-69.3	-162.5	178.8	0	0	0	0	0	115.5	N901 H902 R909	N901-G904 PolarHBondContact O-N 3.04Å; H902-G904 VanDerWaalsContact C-N 3.32Å; G904-R909 PolarHBondContact O-NE 3.38Å; G904-R909 PolarHBondContact O-NH2 3.41Å
905	S	94.3	Very high	96.4	Very high	47 Å²	47	28.6 Å²	28.6	33%	0.329	15%	0.153	S	C	.	.			trans	-66.8	169.5	173.7	55.8	0	0	0	0	112.1	V907 T908 R909	S905-V907 VanDerWaalsContact C-N 3.34Å; S905-V907 PolarHBondContact O-N 2.84Å; S905-T908 PolarHBondContact N-OG1 3.48Å; S905-T908 WeakPolarHBondContact O-CA 3.39Å; S905-T908 WeakPolarHBondContact O-CB 3.2Å; S905-T908 PolarHBondContact O-N 3.36Å; S905-T908 PolarHBondContact OG-OG1 3.17Å; S905-R909 PolarHBondContact O-N 2.83Å
906	D	97.4	Very high	96.3	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-48.6	-51.8	173.1	171.6	45.5	0	0	0	112.4	T908 R909 A910 E977 P978 W979 Q980	D906-T908 PolarHBondContact O-N 3.42Å; D906-T908 VanDerWaalsContact O-N 3.14Å; D906-R909 PolarHBondContact O-N 2.97Å; D906-A910 WeakPolarHBondContact O-CB 3.31Å; D906-A910 PolarHBondContact O-N 2.89Å; D906-E977 HydrophobicContact CB-CB 4.46Å; D906-P978 WeakPolarHBondContact OD2-CD 3.48Å; D906-P978 VanDerWaalsContact OD2-N 3.16Å; D906-W979 WeakPolarHBondContact OD2-CB 3.35Å; D906-W979 VanDerWaalsContact OD2-CD1 3.28Å; D906-W979 PolarHBondContact OD2-N 3.1Å; D906-Q980 WeakPolarHBondContact OD1-CB 3.39Å; D906-Q980 VanDerWaalsContact OD1-CG 3.32Å; D906-Q980 WeakPolarHBondContact OD1-CG 3.17Å; D906-Q980 PolarHBondContact OD1-N 3.09Å; D906-Q980 PolarHBondContact OD1-NE2 3.47Å
907	V	96.4	Very high	96.2	Very high	16 Å²	16	31.5 Å²	31.5	10%	0.097	17%	0.17	C	C	.	.	H	α-helix	trans	-43	-47.2	169.3	-176.7	0	0	0	0	112.2	I803 S905 T911 W979	I803-V907 HydrophobicContact CD1-CG1 3.84Å; I803-V907 HydrophobicContact CG1-CG1 4.36Å; I803-V907 HydrophobicContact CG2-CG1 3.9Å; S905-V907 VanDerWaalsContact C-N 3.34Å; S905-V907 PolarHBondContact O-N 2.84Å; V907-T911 WeakPolarHBondContact O-CB 3.4Å; V907-T911 PolarHBondContact O-N 3.27Å; V907-T911 PolarHBondContact O-OG1 2.84Å; V907-W979 HydrophobicContact CG2-CG 4.36Å
908	T	95.4	Very high	96.2	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-73.2	-35	-176.2	-41.5	0	0	0	0	111.9	F900 N901 S905 D906	F900-T908 HydrophobicContact CD2-CG2 3.81Å; F900-T908 HydrophobicContact CE2-CG2 4.15Å; N901-T908 WeakPolarHBondContact O-CG2 3.5Å; S905-T908 PolarHBondContact N-OG1 3.48Å; S905-T908 WeakPolarHBondContact O-CA 3.39Å; S905-T908 WeakPolarHBondContact O-CB 3.2Å; S905-T908 PolarHBondContact O-N 3.36Å; S905-T908 PolarHBondContact OG-OG1 3.17Å; D906-T908 PolarHBondContact O-N 3.42Å; D906-T908 VanDerWaalsContact O-N 3.14Å
909	R	97.4	Very high	96.4	Very high	76 Å²	76	38.6 Å²	38.6	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-75	-43.2	178.4	-64.2	-171.6	-149.1	125.7	17.5	112.3	H902 G904 S905 D906 T911 L912 E977 Q980	H902-R909 WeakPolarHBondContact O-CG 3.48Å; G904-R909 PolarHBondContact O-NE 3.38Å; G904-R909 PolarHBondContact O-NH2 3.41Å; S905-R909 PolarHBondContact O-N 2.83Å; D906-R909 PolarHBondContact O-N 2.97Å; R909-T911 PolarHBondContact O-N 2.97Å; R909-L912 PolarHBondContact O-N 3.09Å; R909-L912 VanDerWaalsContact O-O 3.04Å; R909-E977 IonicContact CZ-OE2 2.97Å; R909-E977 IonicContact NH1-OE1 3.31Å; R909-E977 IonicContact NH1-OE2 2.67Å; R909-E977 PolarHBondContact NH1-OE2 2.89Å; R909-Q980 HydrophobicContact CB-CG 3.98Å
910	A	97.9	Very high	96.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-32.1	177.5	0	0	0	0	0	112.9	N796 I799 D906 L912 W979 Q980 A983	N796-A910 VanDerWaalsContact CB-O 3.32Å; N796-A910 WeakPolarHBondContact CB-O 3.49Å; N796-A910 PolarHBondContact ND2-O 3.45Å; N796-A910 VanDerWaalsContact ND2-O 3.11Å; I799-A910 HydrophobicContact CG2-CB 3.85Å; D906-A910 WeakPolarHBondContact O-CB 3.31Å; D906-A910 PolarHBondContact O-N 2.89Å; A910-L912 PolarHBondContact O-N 3.13Å; A910-W979 HydrophobicContact CB-CB 3.44Å; A910-W979 VanDerWaalsContact CB-CB 3.44Å; A910-W979 WeakPolarHBondContact CB-O 3.32Å; A910-Q980 HydrophobicContact CB-CG 4.29Å; A910-A983 HydrophobicContact CB-CB 4.28Å
911	T	98.2	Very high	96.5	Very high	2 Å²	2	37 Å²	37	1%	0.012	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.2	174.3	-56.5	0	0	0	0	113.1	V795 N796 L800 A873 F900 V907 R909	V795-T911 CarbonylContact C-O 3.54Å; V795-T911 WeakPolarHBondContact CA-O 3.26Å; V795-T911 HydrophobicContact CG1-CG2 4.26Å; N796-T911 PolarHBondContact N-O 2.95Å; L800-T911 HydrophobicContact CB-CG2 4.22Å; L800-T911 HydrophobicContact CD1-CG2 4.08Å; A873-T911 HydrophobicContact CB-CG2 3.98Å; F900-T911 HydrophobicContact CE2-CG2 3.77Å; F900-T911 HydrophobicContact CZ-CG2 3.93Å; V907-T911 WeakPolarHBondContact O-CB 3.4Å; V907-T911 PolarHBondContact O-N 3.27Å; V907-T911 PolarHBondContact O-OG1 2.84Å; R909-T911 PolarHBondContact O-N 2.97Å
912	L	98.5	Very high	96.6	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.1	-172.1	-79.8	171.6	0	0	0	112.7	W793 F881 F883 F900 H902 R909 A910	W793-L912 HydrophobicContact CB-CD2 4.34Å; W793-L912 HydrophobicContact CE3-CB 3.93Å; W793-L912 HydrophobicContact CE3-CD2 4.32Å; W793-L912 HydrophobicContact CZ3-CB 4.09Å; F881-L912 HydrophobicContact CE2-CD2 3.71Å; F881-L912 HydrophobicContact CZ-CD2 3.68Å; F883-L912 HydrophobicContact CE2-CD1 4.11Å; F883-L912 HydrophobicContact CE2-CD2 4.14Å; F883-L912 HydrophobicContact CZ-CD1 4.12Å; F883-L912 HydrophobicContact CZ-CD2 4.21Å; F900-L912 HydrophobicContact CE1-CD2 3.83Å; F900-L912 HydrophobicContact CE1-CG 4.35Å; F900-L912 HydrophobicContact CE2-CD1 4.3Å; F900-L912 HydrophobicContact CE2-CD2 4.48Å; F900-L912 HydrophobicContact CE2-CG 4.14Å; F900-L912 HydrophobicContact CZ-CD1 4.14Å; F900-L912 HydrophobicContact CZ-CD2 3.58Å; F900-L912 HydrophobicContact CZ-CG 3.69Å; H902-L912 HydrophobicContact CB-CD1 4.08Å; R909-L912 PolarHBondContact O-N 3.09Å; R909-L912 VanDerWaalsContact O-O 3.04Å; A910-L912 PolarHBondContact O-N 3.13Å
913	V	98.5	Very high	96.7	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.3	172.8	-63.2	0	0	0	0	110.6	R794 N796 H1003 F1004	R794-V913 HydrophobicContact CG-CG2 3.58Å; R794-V913 PolarHBondContact N-O 3.22Å; R794-V913 PolarHBondContact O-N 3.02Å; R794-V913 VanDerWaalsContact O-N 3.11Å; N796-V913 HydrophobicContact CB-CG1 4.23Å; V913-H1003 HydrophobicContact CB-CB 4.23Å; V913-H1003 HydrophobicContact CG2-CB 4.24Å; V913-F1004 HydrophobicContact CG1-CD2 4.45Å
914	F	98.3	Very high	96.8	Very high	73 Å²	73	43 Å²	43	32%	0.32	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.6	179	-63.2	-54.1	0	0	0	111.1	W793 E916 H1003 P1005	W793-F914 HydrophobicContact CE3-CD1 4.48Å; W793-F914 HydrophobicContact CH2-CD1 4.29Å; W793-F914 AromaticContact CH2-CE1 3.83Å; W793-F914 HydrophobicContact CH2-CE1 3.83Å; W793-F914 HydrophobicContact CZ2-CD1 4.39Å; W793-F914 AromaticContact CZ2-CE1 3.95Å; W793-F914 HydrophobicContact CZ2-CE1 3.95Å; W793-F914 HydrophobicContact CZ3-CD1 4.32Å; W793-F914 HydrophobicContact CZ3-CE1 4.27Å; F914-E916 WeakPolarHBondContact CB-O 3.43Å; F914-H1003 PolarHBondContact N-O 2.91Å; F914-H1003 PolarHBondContact O-ND1 2.75Å; F914-P1005 HydrophobicContact CD2-CB 4.43Å; F914-P1005 HydrophobicContact CD2-CG 4.04Å; F914-P1005 HydrophobicContact CE1-CG 4.42Å; F914-P1005 HydrophobicContact CE2-CB 3.75Å; F914-P1005 HydrophobicContact CE2-CG 3.83Å; F914-P1005 HydrophobicContact CG-CG 4.45Å; F914-P1005 HydrophobicContact CZ-CB 3.9Å; F914-P1005 HydrophobicContact CZ-CG 4.03Å
915	A	97.1	Very high	97	Very high	13 Å²	13	43.5 Å²	43.5	11%	0.107	24%	0.24	C	C	.	.	S	Bend	trans	-68.2	-47.2	175.1	0	0	0	0	0	110.9	A792 L880 H1003	A792-A915 HydrophobicContact CB-CB 3.64Å; A792-A915 PolarHBondContact O-N 3Å; L880-A915 HydrophobicContact CB-CB 4.36Å; L880-A915 HydrophobicContact CD1-CB 4.41Å; L880-A915 HydrophobicContact CD2-CB 4Å; L880-A915 HydrophobicContact CG-CB 4.49Å; A915-H1003 PolarHBondContact O-CE1 3.06Å; A915-H1003 PolarHBondContact O-ND1 2.83Å
916	E	95.1	Very high	97.2	Very high	61 Å²	61	43.7 Å²	43.7	29%	0.285	24%	0.237	S	C	.	.	S	Bend	trans	-79.2	123.9	171.2	-175.2	-172.4	134.1	0	0	109.5	F914 K918	F914-E916 WeakPolarHBondContact CB-O 3.43Å; E916-K918 WeakPolarHBondContact OE1-CE 3.29Å; E916-K918 IonicContact OE1-NZ 2.81Å; E916-K918 PolarHBondContact OE1-NZ 3.01Å
917	G	95.4	Very high	97.3	Very high	20 Å²	20	47.5 Å²	47.5	21%	0.206	25%	0.25	C	S	.	.			trans	-97.3	161.3	173.9	0	0	0	0	0	111.5	S1002 H1003	G917-S1002 CarbonylContact C-O 3.57Å; G917-S1002 WeakPolarHBondContact CA-O 3.41Å; G917-H1003 PolarHBondContact N-CE1 3.27Å; G917-H1003 VanDerWaalsContact N-CE1 3.29Å; G917-H1003 PolarHBondContact N-ND1 3.37Å
918	K	95.4	Very high	97.4	Very high	128 Å²	128	46.8 Å²	46.8	56%	0.557	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.1	177.5	-64.2	-176.2	-171.7	-74.4	0	111	E916 L920 S1002	E916-K918 WeakPolarHBondContact OE1-CE 3.29Å; E916-K918 IonicContact OE1-NZ 2.81Å; E916-K918 PolarHBondContact OE1-NZ 3.01Å; K918-L920 PolarHBondContact O-N 3.12Å; K918-S1002 PolarHBondContact N-O 2.93Å; K918-S1002 PolarHBondContact O-N 2.87Å
919	P	97.8	Very high	97.5	Very high	90 Å²	90	47.9 Å²	47.9	58%	0.584	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	135	175	26.5	-34.1	0	0	0	110	G921 F1000	P919-G921 PolarHBondContact O-N 2.96Å; P919-F1000 WeakPolarHBondContact CA-O 3.3Å
920	L	97.4	Very high	97.5	Very high	26 Å²	26	44.8 Å²	44.8	14%	0.136	24%	0.239	C	C	.	.			trans	-60.8	-29.6	-178.7	-73.3	-179.6	0	0	0	113.2	K918 G924 L925 L928 A991 P997 F1000 S1002	K918-L920 PolarHBondContact O-N 3.12Å; L920-G924 WeakPolarHBondContact O-CA 3.43Å; L920-G924 PolarHBondContact O-N 2.85Å; L920-L925 HydrophobicContact CD1-CB 4.3Å; L920-L928 HydrophobicContact CD1-CD1 3.96Å; L920-L928 HydrophobicContact CD2-CD1 3.89Å; L920-L928 HydrophobicContact CD2-CG 4.28Å; L920-A991 HydrophobicContact CD1-CB 3.72Å; L920-P997 WeakPolarHBondContact CB-O 3.44Å; L920-F1000 HydrophobicContact CD1-CB 4.3Å; L920-F1000 HydrophobicContact CD1-CD1 3.79Å; L920-F1000 HydrophobicContact CD1-CG 4.48Å; L920-F1000 HydrophobicContact CG-CD1 4.13Å; L920-F1000 PolarHBondContact N-O 3.44Å; L920-S1002 VanDerWaalsContact CD2-CB 3.41Å
921	G	97.6	Very high	97.5	Very high	22 Å²	22	44.9 Å²	44.9	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	60.2	-164.3	-173.6	0	0	0	0	0	112.5	P919 K923 T998	P919-G921 PolarHBondContact O-N 2.96Å; G921-K923 PolarHBondContact O-N 3.42Å; G921-K923 VanDerWaalsContact O-N 3.08Å; G921-T998 WeakPolarHBondContact CA-O 3.4Å; G921-T998 PolarHBondContact N-O 3.35Å
922	P	97.3	Very high	97.6	Very high	120 Å²	120	44.8 Å²	44.8	78%	0.779	24%	0.239	S	C	*	.	H	α-helix	trans	-72.4	-3.2	-170.3	29.2	-36.8	0	0	0	115.2
923	K	97.1	Very high	97.5	Very high	139 Å²	139	44.6 Å²	44.6	60%	0.604	24%	0.238	S	C	*	.	H	α-helix	trans	-140.2	0.5	-177.9	-64.9	-166.6	177.3	-171.8	0	115	G921 D926 W927	G921-K923 PolarHBondContact O-N 3.42Å; G921-K923 VanDerWaalsContact O-N 3.08Å; K923-D926 PolarHBondContact O-N 3.03Å; K923-W927 VanDerWaalsContact O-CD1 3.23Å; K923-W927 PolarHBondContact O-N 3.24Å; K923-W927 VanDerWaalsContact O-N 3.1Å
924	G	97.6	Very high	97.4	Very high	13 Å²	13	46.7 Å²	46.7	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-39.5	-178.6	0	0	0	0	0	112.4	L920 D926 W927 L928	L920-G924 WeakPolarHBondContact O-CA 3.43Å; L920-G924 PolarHBondContact O-N 2.85Å; G924-D926 PolarHBondContact O-N 2.94Å; G924-W927 PolarHBondContact O-N 3.08Å; G924-W927 VanDerWaalsContact O-N 3.16Å; G924-L928 PolarHBondContact O-N 2.95Å
925	L	98.1	Very high	97.3	Very high	29 Å²	29	43.8 Å²	43.8	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-41.5	175.7	-179.3	59.5	0	0	0	111.9	L920 W927 L928 K929 I988 A991 V992 P997	L920-L925 HydrophobicContact CD1-CB 4.3Å; L925-W927 VanDerWaalsContact C-N 3.29Å; L925-W927 PolarHBondContact O-N 3.29Å; L925-L928 PolarHBondContact O-N 2.76Å; L925-K929 HydrophobicContact CG-CD 4.44Å; L925-K929 WeakPolarHBondContact O-CG 3.05Å; L925-K929 PolarHBondContact O-N 3.36Å; L925-I988 HydrophobicContact CD1-CG2 4.33Å; L925-A991 HydrophobicContact CD1-CB 4.11Å; L925-V992 HydrophobicContact CD1-CG2 4.02Å; L925-V992 HydrophobicContact CD2-CG2 4.02Å; L925-P997 HydrophobicContact CD2-CB 4.11Å
926	D	98.3	Very high	97.3	Very high	52 Å²	52	43.4 Å²	43.4	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-42.6	173.7	-58.2	-18.8	0	0	0	111.1	K923 G924 K929 I930 L948	K923-D926 PolarHBondContact O-N 3.03Å; G924-D926 PolarHBondContact O-N 2.94Å; D926-K929 PolarHBondContact O-N 3.4Å; D926-I930 VanDerWaalsContact O-CB 3.27Å; D926-I930 WeakPolarHBondContact O-CB 3.46Å; D926-I930 WeakPolarHBondContact O-CD1 3.35Å; D926-I930 WeakPolarHBondContact O-CG1 3.37Å; D926-I930 PolarHBondContact O-N 3.41Å; D926-L948 HydrophobicContact CB-CD1 4Å; D926-L948 HydrophobicContact CB-CD2 4.06Å
927	W	98.3	Very high	97.1	Very high	99 Å²	99	40.9 Å²	40.9	38%	0.375	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-36.2	177.1	-81.4	116.7	0	0	0	113.1	K923 G924 L925 I930 H931 L944 Q1008	K923-W927 VanDerWaalsContact O-CD1 3.23Å; K923-W927 PolarHBondContact O-N 3.24Å; K923-W927 VanDerWaalsContact O-N 3.1Å; G924-W927 PolarHBondContact O-N 3.08Å; G924-W927 VanDerWaalsContact O-N 3.16Å; L925-W927 VanDerWaalsContact C-N 3.29Å; L925-W927 PolarHBondContact O-N 3.29Å; W927-I930 HydrophobicContact CE3-CG2 4.21Å; W927-I930 HydrophobicContact CZ3-CG2 4.25Å; W927-H931 WeakPolarHBondContact O-CB 3.18Å; W927-H931 PolarHBondContact O-N 2.83Å; W927-L944 HydrophobicContact CH2-CD1 3.86Å; W927-L944 HydrophobicContact CZ3-CD1 4.3Å; W927-Q1008 VanDerWaalsContact CZ3-NE2 3.29Å
928	L	98.4	Very high	96.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-50.6	170.9	-70.6	177.8	0	0	0	111.1	L920 G924 L925 I930 H931 L932 E987 I988 F1004 V1006	L920-L928 HydrophobicContact CD1-CD1 3.96Å; L920-L928 HydrophobicContact CD2-CD1 3.89Å; L920-L928 HydrophobicContact CD2-CG 4.28Å; G924-L928 PolarHBondContact O-N 2.95Å; L925-L928 PolarHBondContact O-N 2.76Å; L928-I930 PolarHBondContact O-N 2.86Å; L928-H931 CarbonylContact O-C 3.58Å; L928-H931 WeakPolarHBondContact O-CA 3.36Å; L928-H931 WeakPolarHBondContact O-CB 3.29Å; L928-H931 PolarHBondContact O-N 3.46Å; L928-L932 PolarHBondContact O-N 2.84Å; L928-E987 HydrophobicContact CD1-CG 3.87Å; L928-E987 HydrophobicContact CD2-CG 4.31Å; L928-I988 HydrophobicContact CB-CD1 4.23Å; L928-I988 HydrophobicContact CB-CG1 3.75Å; L928-I988 HydrophobicContact CD1-CG1 4.41Å; L928-F1004 HydrophobicContact CD2-CB 4.16Å; L928-F1004 HydrophobicContact CD2-CD1 4.17Å; L928-F1004 HydrophobicContact CD2-CG 4.42Å; L928-V1006 HydrophobicContact CD2-CG2 3.92Å
929	K	98.4	Very high	96.6	Very high	27 Å²	27	42 Å²	42	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-48.8	176.5	-73.9	175.9	-178.2	-177.6	0	112.3	L925 D926 H931 L932 V933 L948 A951 D952 M955 I988	L925-K929 HydrophobicContact CG-CD 4.44Å; L925-K929 WeakPolarHBondContact O-CG 3.05Å; L925-K929 PolarHBondContact O-N 3.36Å; D926-K929 PolarHBondContact O-N 3.4Å; K929-H931 VanDerWaalsContact C-N 3.27Å; K929-H931 PolarHBondContact O-N 2.91Å; K929-L932 PolarHBondContact O-N 3.21Å; K929-V933 PolarHBondContact O-N 2.94Å; K929-V933 VanDerWaalsContact O-N 3.15Å; K929-L948 HydrophobicContact CB-CD1 3.78Å; K929-L948 HydrophobicContact CD-CD1 3.58Å; K929-L948 HydrophobicContact CG-CD1 4.35Å; K929-A951 HydrophobicContact CB-CB 3.7Å; K929-A951 HydrophobicContact CG-CB 4.19Å; K929-D952 WeakPolarHBondContact CD-OD1 3.19Å; K929-D952 VanDerWaalsContact CE-OD1 3.31Å; K929-D952 WeakPolarHBondContact CE-OD1 3.48Å; K929-D952 IonicContact NZ-OD1 2.62Å; K929-D952 PolarHBondContact NZ-OD1 2.81Å; K929-M955 HydrophobicContact CD-CE 4.26Å; K929-M955 HydrophobicContact CG-CE 4.47Å; K929-I988 HydrophobicContact CG-CD1 4.38Å
930	I	98	Very high	96.2	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.062	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-36.6	174.6	-71.9	164.7	0	0	0	111.1	D926 W927 L928 N934 L944 L948	D926-I930 VanDerWaalsContact O-CB 3.27Å; D926-I930 WeakPolarHBondContact O-CB 3.46Å; D926-I930 WeakPolarHBondContact O-CD1 3.35Å; D926-I930 WeakPolarHBondContact O-CG1 3.37Å; D926-I930 PolarHBondContact O-N 3.41Å; W927-I930 HydrophobicContact CE3-CG2 4.21Å; W927-I930 HydrophobicContact CZ3-CG2 4.25Å; L928-I930 PolarHBondContact O-N 2.86Å; I930-N934 VanDerWaalsContact O-CG 3.23Å; I930-N934 PolarHBondContact O-N 3.07Å; I930-N934 VanDerWaalsContact O-N 3.16Å; I930-N934 PolarHBondContact O-ND2 2.89Å; I930-L944 HydrophobicContact CD1-CB 4.27Å; I930-L944 HydrophobicContact CG2-CD2 4.07Å; I930-L948 HydrophobicContact CD1-CB 4.31Å; I930-L948 HydrophobicContact CG1-CB 4.05Å
931	H	97.9	Very high	95.9	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-46.9	178.6	-174.3	65.9	0	0	0	112.2	W927 L928 K929 V933 N934 L935 F1004 V1006 H1007	W927-H931 WeakPolarHBondContact O-CB 3.18Å; W927-H931 PolarHBondContact O-N 2.83Å; L928-H931 CarbonylContact O-C 3.58Å; L928-H931 WeakPolarHBondContact O-CA 3.36Å; L928-H931 WeakPolarHBondContact O-CB 3.29Å; L928-H931 PolarHBondContact O-N 3.46Å; K929-H931 VanDerWaalsContact C-N 3.27Å; K929-H931 PolarHBondContact O-N 2.91Å; H931-V933 VanDerWaalsContact C-N 3.3Å; H931-V933 PolarHBondContact O-N 2.8Å; H931-N934 WeakPolarHBondContact O-CA 3.37Å; H931-N934 VanDerWaalsContact O-CB 3.29Å; H931-N934 WeakPolarHBondContact O-CB 3.47Å; H931-N934 PolarHBondContact O-N 2.77Å; H931-L935 WeakPolarHBondContact NE2-CD1 3.35Å; H931-L935 PolarHBondContact O-N 2.94Å; H931-L935 VanDerWaalsContact O-N 3.08Å; H931-F1004 AromaticContact CD2-CE1 3.58Å; H931-F1004 AromaticContact NE2-CE1 3.75Å; H931-V1006 HydrophobicContact CB-CG1 4.08Å; H931-V1006 HydrophobicContact CB-CG2 4.39Å; H931-H1007 AromaticContact CE1-CG 3.81Å; H931-H1007 PolarHBondContact CE1-N 3.21Å; H931-H1007 AromaticContact CE1-ND1 3.51Å; H931-H1007 PolarHBondContact ND1-N 3.37Å; H931-H1007 AromaticContact NE2-ND1 3.74Å
932	L	98.4	Very high	95.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-52.7	-48.5	172.3	176.6	58.8	0	0	0	111.2	L928 K929 N934 L935 T936 I958 W971 A981 C984 I988	L928-L932 PolarHBondContact O-N 2.84Å; K929-L932 PolarHBondContact O-N 3.21Å; L932-N934 PolarHBondContact O-N 3.4Å; L932-L935 WeakPolarHBondContact O-CA 3.37Å; L932-L935 WeakPolarHBondContact O-CB 3.35Å; L932-L935 PolarHBondContact O-N 3.35Å; L932-T936 WeakPolarHBondContact O-CG2 3.46Å; L932-T936 PolarHBondContact O-N 2.97Å; L932-I958 HydrophobicContact CD2-CB 4.48Å; L932-I958 HydrophobicContact CD2-CD1 3.64Å; L932-I958 HydrophobicContact CD2-CG1 3.72Å; L932-I958 HydrophobicContact CD2-CG2 4Å; L932-W971 HydrophobicContact CD1-CH2 4.24Å; L932-W971 HydrophobicContact CD1-CZ3 4.18Å; L932-W971 HydrophobicContact CD2-CH2 4.22Å; L932-W971 HydrophobicContact CD2-CZ3 4.23Å; L932-W971 HydrophobicContact CG-CH2 4.21Å; L932-W971 HydrophobicContact CG-CZ3 4.47Å; L932-A981 HydrophobicContact CD1-CB 3.81Å; L932-A981 WeakPolarHBondContact CD1-O 3.41Å; L932-C984 HydrophobicContact CB-CB 4.39Å; L932-C984 HydrophobicContact CD1-CB 4.23Å; L932-I988 HydrophobicContact CB-CD1 3.97Å; L932-I988 HydrophobicContact CD2-CD1 3.83Å
933	V	97.9	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-26.7	177.7	174.5	0	0	0	0	112.6	K929 H931 T936 K939 R947 Y950 A951	K929-V933 PolarHBondContact O-N 2.94Å; K929-V933 VanDerWaalsContact O-N 3.15Å; H931-V933 VanDerWaalsContact C-N 3.3Å; H931-V933 PolarHBondContact O-N 2.8Å; V933-T936 PolarHBondContact O-OG1 3.34Å; V933-K939 HydrophobicContact CG1-CB 3.91Å; V933-K939 HydrophobicContact CG1-CG 4.09Å; V933-R947 HydrophobicContact CB-CB 4.17Å; V933-R947 HydrophobicContact CG1-CB 3.78Å; V933-R947 HydrophobicContact CG1-CG 3.71Å; V933-Y950 HydrophobicContact CB-CD1 4.48Å; V933-Y950 HydrophobicContact CG1-CD1 3.81Å; V933-Y950 HydrophobicContact CG1-CE1 4.45Å; V933-Y950 HydrophobicContact CG2-CD1 3.78Å; V933-Y950 HydrophobicContact CG2-CE1 4.42Å; V933-A951 HydrophobicContact CG2-CB 3.77Å
934	N	95.9	Very high	95.5	Very high	53 Å²	53	48.6 Å²	48.6	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-68.9	-38.9	169.4	-61.4	-47.6	0	0	0	112.4	I930 H931 L932 G937 R947	I930-N934 VanDerWaalsContact O-CG 3.23Å; I930-N934 PolarHBondContact O-N 3.07Å; I930-N934 VanDerWaalsContact O-N 3.16Å; I930-N934 PolarHBondContact O-ND2 2.89Å; H931-N934 WeakPolarHBondContact O-CA 3.37Å; H931-N934 VanDerWaalsContact O-CB 3.29Å; H931-N934 WeakPolarHBondContact O-CB 3.47Å; H931-N934 PolarHBondContact O-N 2.77Å; L932-N934 PolarHBondContact O-N 3.4Å; N934-G937 PolarHBondContact O-N 3.05Å; N934-R947 PolarHBondContact OD1-NH1 2.72Å
935	L	96.7	Very high	95.5	Very high	12 Å²	12	53 Å²	53	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-70.3	-33.4	179.2	-63.1	169.1	0	0	0	112.8	H931 L932 G937 D976 E977 Q980 A981 C984	H931-L935 WeakPolarHBondContact NE2-CD1 3.35Å; H931-L935 PolarHBondContact O-N 2.94Å; H931-L935 VanDerWaalsContact O-N 3.08Å; L932-L935 WeakPolarHBondContact O-CA 3.37Å; L932-L935 WeakPolarHBondContact O-CB 3.35Å; L932-L935 PolarHBondContact O-N 3.35Å; L935-G937 PolarHBondContact O-N 2.88Å; L935-G937 VanDerWaalsContact O-N 3.14Å; L935-D976 WeakPolarHBondContact O-CB 3.13Å; L935-D976 PolarHBondContact O-N 3.48Å; L935-E977 HydrophobicContact CD2-CB 4.26Å; L935-E977 PolarHBondContact O-N 2.89Å; L935-E977 VanDerWaalsContact O-N 3.08Å; L935-Q980 HydrophobicContact CD1-CB 3.8Å; L935-Q980 WeakPolarHBondContact CD1-O 3.29Å; L935-Q980 HydrophobicContact CD2-CB 3.75Å; L935-Q980 HydrophobicContact CG-CB 4.35Å; L935-A981 HydrophobicContact CB-CB 4.19Å; L935-C984 HydrophobicContact CD1-CB 4.09Å
936	T	95.6	Very high	95.4	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.031	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	169.7	68.1	0	0	0	0	113	L932 V933 L938 W971 D976	L932-T936 WeakPolarHBondContact O-CG2 3.46Å; L932-T936 PolarHBondContact O-N 2.97Å; V933-T936 PolarHBondContact O-OG1 3.34Å; T936-L938 PolarHBondContact O-N 3.08Å; T936-L938 VanDerWaalsContact O-N 3.13Å; T936-L938 WeakPolarHBondContact OG1-CB 3.45Å; T936-L938 PolarHBondContact OG1-N 2.79Å; T936-W971 HydrophobicContact CG2-CH2 3.32Å; T936-W971 HydrophobicContact CG2-CZ2 3.49Å; T936-W971 VanDerWaalsContact CG2-CZ2 3.49Å; T936-W971 HydrophobicContact CG2-CZ3 4.4Å; T936-D976 PolarHBondContact O-N 3.39Å
937	G	91.4	Very high	95.4	Very high	7 Å²	7	51.4 Å²	51.4	7%	0.072	25%	0.246	C	C	.	.			trans	68.1	2.4	-170.3	0	0	0	0	0	114.8	N934 L935 K940	N934-G937 PolarHBondContact O-N 3.05Å; L935-G937 PolarHBondContact O-N 2.88Å; L935-G937 VanDerWaalsContact O-N 3.14Å; G937-K940 VanDerWaalsContact CA-CE 3.42Å; G937-K940 WeakPolarHBondContact O-CD 3.26Å; G937-K940 WeakPolarHBondContact O-CE 3.27Å; G937-K940 WeakPolarHBondContact O-CG 3.19Å; G937-K940 PolarHBondContact O-NZ 3.48Å
938	L	90.4	Very high	95.3	Very high	81 Å²	81	47.6 Å²	47.6	42%	0.424	23%	0.234	S	C	.	.			trans	-81.3	172.9	174.6	-56.5	177	0	0	0	110.5	T936 K940 Y950	T936-L938 PolarHBondContact O-N 3.08Å; T936-L938 VanDerWaalsContact O-N 3.13Å; T936-L938 WeakPolarHBondContact OG1-CB 3.45Å; T936-L938 PolarHBondContact OG1-N 2.79Å; L938-K940 PolarHBondContact O-N 3Å; L938-Y950 HydrophobicContact CB-CE1 4.19Å; L938-Y950 HydrophobicContact CD1-CE1 4.08Å; L938-Y950 VanDerWaalsContact CD1-OH 3.28Å; L938-Y950 WeakPolarHBondContact CD1-OH 3.25Å
939	K	91.3	Very high	95.3	Very high	92 Å²	92	52.7 Å²	52.7	40%	0.4	26%	0.257	S	S	.	.	S	Bend	trans	46.6	26.1	178.8	-53.9	-61.8	-175.6	174.1	0	114.5	V933 R941 S942 R947 Y950	V933-K939 HydrophobicContact CG1-CB 3.91Å; V933-K939 HydrophobicContact CG1-CG 4.09Å; K939-R941 PolarHBondContact O-N 3.41Å; K939-S942 WeakPolarHBondContact O-CB 3.39Å; K939-S942 PolarHBondContact O-N 3.39Å; K939-R947 HydrophobicContact CB-CG 3.88Å; K939-R947 PolarHBondContact O-NE 3.15Å; K939-R947 VanDerWaalsContact O-NE 3.16Å; K939-Y950 HydrophobicContact CD-CD1 4.23Å; K939-Y950 HydrophobicContact CD-CD2 4.44Å; K939-Y950 HydrophobicContact CD-CG 4.07Å; K939-Y950 HydrophobicContact CG-CD1 3.45Å; K939-Y950 VanDerWaalsContact CG-CD1 3.45Å; K939-Y950 HydrophobicContact CG-CD2 4.5Å; K939-Y950 HydrophobicContact CG-CE1 4.04Å; K939-Y950 HydrophobicContact CG-CG 3.71Å
940	K	89.2	Confident	95.3	Very high	84 Å²	84	53.3 Å²	53.3	37%	0.365	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-13.8	-179.1	-88.7	171.5	-174.9	131	0	113.6	G937 L938 D976 R1011	G937-K940 VanDerWaalsContact CA-CE 3.42Å; G937-K940 WeakPolarHBondContact O-CD 3.26Å; G937-K940 WeakPolarHBondContact O-CE 3.27Å; G937-K940 WeakPolarHBondContact O-CG 3.19Å; G937-K940 PolarHBondContact O-NZ 3.48Å; L938-K940 PolarHBondContact O-N 3Å; K940-D976 WeakPolarHBondContact CE-OD2 3.29Å; K940-D976 IonicContact NZ-OD1 2.75Å; K940-D976 PolarHBondContact NZ-OD1 2.92Å; K940-D976 IonicContact NZ-OD2 3.36Å; K940-D976 PolarHBondContact NZ-OD2 2.88Å; K940-R1011 PolarHBondContact O-NH1 3.16Å; K940-R1011 PolarHBondContact O-NH2 3.25Å
941	R	91.3	Very high	95.3	Very high	250 Å²	250	52.7 Å²	52.7	94%	0.943	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-14.1	175.7	-61.3	-174.5	-173.2	-178.3	4.2	114	K939	K939-R941 PolarHBondContact O-N 3.41Å
942	S	92.6	Very high	95.3	Very high	43 Å²	43	55.9 Å²	55.9	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-69.9	160.6	-179.8	-53.9	0	0	0	0	112.8	K939 G946 R947	K939-S942 WeakPolarHBondContact O-CB 3.39Å; K939-S942 PolarHBondContact O-N 3.39Å; S942-G946 VanDerWaalsContact CB-O 3.32Å; S942-G946 WeakPolarHBondContact CB-O 3.18Å; S942-G946 PolarHBondContact OG-O 2.74Å; S942-R947 PolarHBondContact O-NH2 3.39Å
943	S	95.3	Very high	95.3	Very high	76 Å²	76	60 Å²	60	53%	0.531	30%	0.302	S	S	.	.			trans	-60.6	175.1	162.2	58.8	0	0	0	0	111.5	G946 R947	S943-G946 PolarHBondContact OG-N 3.14Å; S943-R947 WeakPolarHBondContact O-CG 3.22Å; S943-R947 PolarHBondContact O-N 2.79Å
944	L	95.1	Very high	95.2	Very high	82 Å²	82	60.8 Å²	60.8	43%	0.429	31%	0.306	S	S	.	.	S	Bend	trans	-67.2	-41.9	171.8	-62.3	-179.3	0	0	0	111.1	W927 I930 R947 L948	W927-L944 HydrophobicContact CH2-CD1 3.86Å; W927-L944 HydrophobicContact CZ3-CD1 4.3Å; I930-L944 HydrophobicContact CD1-CB 4.27Å; I930-L944 HydrophobicContact CG2-CD2 4.07Å; L944-R947 WeakPolarHBondContact O-CB 3.45Å; L944-R947 PolarHBondContact O-N 3.36Å; L944-L948 PolarHBondContact O-N 3.18Å
945	Q	96.6	Very high	95.3	Very high	105 Å²	105	60 Å²	60	49%	0.491	30%	0.301	S	S	.	.	H	α-helix	trans	-56.2	-51.9	175	-177.3	57.8	29.8	0	0	111.8	R947 L948 E949	Q945-R947 PolarHBondContact O-N 2.79Å; Q945-L948 WeakPolarHBondContact O-CB 3.26Å; Q945-L948 PolarHBondContact O-N 2.82Å; Q945-E949 VanDerWaalsContact CG-OE1 3.24Å; Q945-E949 WeakPolarHBondContact CG-OE1 3.26Å; Q945-E949 PolarHBondContact NE2-OE1 3.4Å; Q945-E949 WeakPolarHBondContact O-CG 3.24Å; Q945-E949 PolarHBondContact O-N 3.39Å
946	G	96.7	Very high	95.4	Very high	14 Å²	14	66.5 Å²	66.5	14%	0.144	33%	0.331	C	S	.	.	H	α-helix	trans	-72.8	17.7	174.3	0	0	0	0	0	115.6	S942 S943 E949	S942-G946 VanDerWaalsContact CB-O 3.32Å; S942-G946 WeakPolarHBondContact CB-O 3.18Å; S942-G946 PolarHBondContact OG-O 2.74Å; S943-G946 PolarHBondContact OG-N 3.14Å; G946-E949 WeakPolarHBondContact CA-OE2 3.46Å
947	R	97.7	Very high	95.5	Very high	33 Å²	33	68.1 Å²	68.1	13%	0.125	34%	0.34	C	S	.	.	H	α-helix	trans	-114.3	-37.9	162	-70	-177.8	-161.6	147.9	24.2	111.2	V933 N934 K939 S942 S943 L944 Q945 Y950 A951	V933-R947 HydrophobicContact CB-CB 4.17Å; V933-R947 HydrophobicContact CG1-CB 3.78Å; V933-R947 HydrophobicContact CG1-CG 3.71Å; N934-R947 PolarHBondContact OD1-NH1 2.72Å; K939-R947 HydrophobicContact CB-CG 3.88Å; K939-R947 PolarHBondContact O-NE 3.15Å; K939-R947 VanDerWaalsContact O-NE 3.16Å; S942-R947 PolarHBondContact O-NH2 3.39Å; S943-R947 WeakPolarHBondContact O-CG 3.22Å; S943-R947 PolarHBondContact O-N 2.79Å; L944-R947 WeakPolarHBondContact O-CB 3.45Å; L944-R947 PolarHBondContact O-N 3.36Å; Q945-R947 PolarHBondContact O-N 2.79Å; R947-Y950 PolarHBondContact O-N 3.36Å; R947-A951 PolarHBondContact O-N 3.5Å
948	L	97.6	Very high	95.9	Very high	20 Å²	20	67.8 Å²	67.8	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-55.1	171.1	-176	57.5	0	0	0	110.4	D926 K929 I930 L944 Q945 Y950 A951 D952	D926-L948 HydrophobicContact CB-CD1 4Å; D926-L948 HydrophobicContact CB-CD2 4.06Å; K929-L948 HydrophobicContact CB-CD1 3.78Å; K929-L948 HydrophobicContact CD-CD1 3.58Å; K929-L948 HydrophobicContact CG-CD1 4.35Å; I930-L948 HydrophobicContact CD1-CB 4.31Å; I930-L948 HydrophobicContact CG1-CB 4.05Å; L944-L948 PolarHBondContact O-N 3.18Å; Q945-L948 WeakPolarHBondContact O-CB 3.26Å; Q945-L948 PolarHBondContact O-N 2.82Å; L948-Y950 PolarHBondContact O-N 3.48Å; L948-Y950 VanDerWaalsContact O-N 3.08Å; L948-A951 WeakPolarHBondContact O-CA 3.32Å; L948-A951 WeakPolarHBondContact O-CB 3.42Å; L948-A951 PolarHBondContact O-N 3.48Å; L948-D952 PolarHBondContact O-N 2.93Å; L948-D952 VanDerWaalsContact O-OD2 3.12Å
949	E	97.9	Very high	96.3	Very high	108 Å²	108	66 Å²	66	51%	0.505	33%	0.327	S	S	.	.	H	α-helix	trans	-53.2	-33.9	174.8	-67.5	161.1	176	0	0	112.9	Q945 G946 S953	Q945-E949 VanDerWaalsContact CG-OE1 3.24Å; Q945-E949 WeakPolarHBondContact CG-OE1 3.26Å; Q945-E949 PolarHBondContact NE2-OE1 3.4Å; Q945-E949 WeakPolarHBondContact O-CG 3.24Å; Q945-E949 PolarHBondContact O-N 3.39Å; G946-E949 WeakPolarHBondContact CA-OE2 3.46Å; E949-S953 WeakPolarHBondContact O-CB 3.38Å; E949-S953 PolarHBondContact O-N 2.83Å; E949-S953 VanDerWaalsContact O-N 3.07Å; E949-S953 PolarHBondContact O-OG 2.93Å
950	Y	97.6	Very high	96.6	Very high	39 Å²	39	63.3 Å²	63.3	15%	0.153	32%	0.317	C	S	.	.	H	α-helix	trans	-75.2	-41.9	176.7	178.3	-120.6	0	0	0	112.6	V933 L938 K939 R947 L948 D952 S953 I954	V933-Y950 HydrophobicContact CB-CD1 4.48Å; V933-Y950 HydrophobicContact CG1-CD1 3.81Å; V933-Y950 HydrophobicContact CG1-CE1 4.45Å; V933-Y950 HydrophobicContact CG2-CD1 3.78Å; V933-Y950 HydrophobicContact CG2-CE1 4.42Å; L938-Y950 HydrophobicContact CB-CE1 4.19Å; L938-Y950 HydrophobicContact CD1-CE1 4.08Å; L938-Y950 VanDerWaalsContact CD1-OH 3.28Å; L938-Y950 WeakPolarHBondContact CD1-OH 3.25Å; K939-Y950 HydrophobicContact CD-CD1 4.23Å; K939-Y950 HydrophobicContact CD-CD2 4.44Å; K939-Y950 HydrophobicContact CD-CG 4.07Å; K939-Y950 HydrophobicContact CG-CD1 3.45Å; K939-Y950 VanDerWaalsContact CG-CD1 3.45Å; K939-Y950 HydrophobicContact CG-CD2 4.5Å; K939-Y950 HydrophobicContact CG-CE1 4.04Å; K939-Y950 HydrophobicContact CG-CG 3.71Å; R947-Y950 PolarHBondContact O-N 3.36Å; L948-Y950 PolarHBondContact O-N 3.48Å; L948-Y950 VanDerWaalsContact O-N 3.08Å; Y950-D952 VanDerWaalsContact C-N 3.28Å; Y950-D952 PolarHBondContact O-N 3.26Å; Y950-S953 WeakPolarHBondContact CA-OG 3.26Å; Y950-S953 WeakPolarHBondContact CD2-OG 3.32Å; Y950-S953 PolarHBondContact O-N 3.32Å; Y950-S953 PolarHBondContact O-OG 3.27Å; Y950-I954 HydrophobicContact CD1-CD1 4.44Å; Y950-I954 HydrophobicContact CD2-CG2 4.34Å; Y950-I954 HydrophobicContact CE1-CD1 3.95Å; Y950-I954 HydrophobicContact CE2-CG2 3.8Å; Y950-I954 WeakPolarHBondContact O-CG1 3.28Å; Y950-I954 PolarHBondContact O-N 3.46Å
951	A	97.8	Very high	97	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-43	174.3	0	0	0	0	0	110.9	K929 V933 R947 L948 S953 I954 M955 I958	K929-A951 HydrophobicContact CB-CB 3.7Å; K929-A951 HydrophobicContact CG-CB 4.19Å; V933-A951 HydrophobicContact CG2-CB 3.77Å; R947-A951 PolarHBondContact O-N 3.5Å; L948-A951 WeakPolarHBondContact O-CA 3.32Å; L948-A951 WeakPolarHBondContact O-CB 3.42Å; L948-A951 PolarHBondContact O-N 3.48Å; A951-S953 VanDerWaalsContact C-N 3.35Å; A951-S953 PolarHBondContact O-N 2.72Å; A951-I954 WeakPolarHBondContact O-CG1 3.3Å; A951-I954 PolarHBondContact O-N 2.73Å; A951-M955 WeakPolarHBondContact O-CE 3.31Å; A951-M955 PolarHBondContact O-N 2.71Å; A951-I958 HydrophobicContact CB-CD1 4.49Å; A951-I958 WeakPolarHBondContact O-CD1 3.48Å
952	D	97.9	Very high	97.4	Very high	70 Å²	70	48 Å²	48	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-40.2	175.8	-64.6	-43.2	0	0	0	111.7	K929 L948 Y950 I954 M955	K929-D952 WeakPolarHBondContact CD-OD1 3.19Å; K929-D952 VanDerWaalsContact CE-OD1 3.31Å; K929-D952 WeakPolarHBondContact CE-OD1 3.48Å; K929-D952 IonicContact NZ-OD1 2.62Å; K929-D952 PolarHBondContact NZ-OD1 2.81Å; L948-D952 PolarHBondContact O-N 2.93Å; L948-D952 VanDerWaalsContact O-OD2 3.12Å; Y950-D952 VanDerWaalsContact C-N 3.28Å; Y950-D952 PolarHBondContact O-N 3.26Å; D952-I954 PolarHBondContact O-N 2.92Å; D952-I954 VanDerWaalsContact O-N 3.13Å; D952-M955 PolarHBondContact O-N 3.44Å
953	S	98	Very high	97.6	Very high	86 Å²	86	50.5 Å²	50.5	60%	0.601	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.3	176.5	72.2	0	0	0	0	115.7	E949 Y950 A951	E949-S953 WeakPolarHBondContact O-CB 3.38Å; E949-S953 PolarHBondContact O-N 2.83Å; E949-S953 VanDerWaalsContact O-N 3.07Å; E949-S953 PolarHBondContact O-OG 2.93Å; Y950-S953 WeakPolarHBondContact CA-OG 3.26Å; Y950-S953 WeakPolarHBondContact CD2-OG 3.32Å; Y950-S953 PolarHBondContact O-N 3.32Å; Y950-S953 PolarHBondContact O-OG 3.27Å; A951-S953 VanDerWaalsContact C-N 3.35Å; A951-S953 PolarHBondContact O-N 2.72Å
954	I	97.3	Very high	97.7	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.087	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	17.9	179	67.5	178.9	0	0	0	112.6	Y950 A951 D952 E956 D957 I958 W971	Y950-I954 HydrophobicContact CD1-CD1 4.44Å; Y950-I954 HydrophobicContact CD2-CG2 4.34Å; Y950-I954 HydrophobicContact CE1-CD1 3.95Å; Y950-I954 HydrophobicContact CE2-CG2 3.8Å; Y950-I954 WeakPolarHBondContact O-CG1 3.28Å; Y950-I954 PolarHBondContact O-N 3.46Å; A951-I954 WeakPolarHBondContact O-CG1 3.3Å; A951-I954 PolarHBondContact O-N 2.73Å; D952-I954 PolarHBondContact O-N 2.92Å; D952-I954 VanDerWaalsContact O-N 3.13Å; I954-E956 PolarHBondContact O-N 2.93Å; I954-E956 VanDerWaalsContact O-N 3.1Å; I954-D957 PolarHBondContact O-N 3.48Å; I954-I958 HydrophobicContact CG1-CD1 3.96Å; I954-I958 HydrophobicContact CG1-CG1 4.1Å; I954-I958 PolarHBondContact O-N 3.48Å; I954-W971 HydrophobicContact CD1-CH2 3.85Å; I954-W971 HydrophobicContact CD1-CZ2 3.36Å
955	M	98.3	Very high	97.8	Very high	37 Å²	37	46.5 Å²	46.5	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-32.4	-171.8	-162.8	58.6	50.3	0	0	113.5	K929 A951 D952 D957 I958 L959 I988	K929-M955 HydrophobicContact CD-CE 4.26Å; K929-M955 HydrophobicContact CG-CE 4.47Å; A951-M955 WeakPolarHBondContact O-CE 3.31Å; A951-M955 PolarHBondContact O-N 2.71Å; D952-M955 PolarHBondContact O-N 3.44Å; M955-D957 PolarHBondContact O-N 3.28Å; M955-I958 HydrophobicContact CE-CD1 3.98Å; M955-I958 WeakPolarHBondContact O-CB 3.41Å; M955-I958 PolarHBondContact O-N 2.69Å; M955-I958 HydrophobicContact SD-CB 4.38Å; M955-I958 HydrophobicContact SD-CD1 4.1Å; M955-I958 HydrophobicContact SD-CG2 4.48Å; M955-L959 HydrophobicContact CG-CD1 4.42Å; M955-L959 WeakPolarHBondContact O-CG 3.08Å; M955-L959 PolarHBondContact O-N 3.18Å; M955-I988 HydrophobicContact SD-CG2 4.15Å
956	E	98.1	Very high	97.7	Very high	148 Å²	148	44.1 Å²	44.1	69%	0.692	23%	0.234	S	C	*	.	H	α-helix	trans	-60.4	-42.9	173	-65.1	-176.3	-173.7	0	0	113	I954 I958 L959 D960 K969	I954-E956 PolarHBondContact O-N 2.93Å; I954-E956 VanDerWaalsContact O-N 3.1Å; E956-I958 VanDerWaalsContact C-N 3.3Å; E956-I958 PolarHBondContact O-N 3.29Å; E956-L959 PolarHBondContact O-N 2.82Å; E956-D960 VanDerWaalsContact O-CB 3.3Å; E956-D960 WeakPolarHBondContact O-CB 3.16Å; E956-D960 PolarHBondContact O-N 2.81Å; E956-K969 IonicContact OE2-NZ 3.24Å
957	D	98.3	Very high	97.6	Very high	39 Å²	39	49.5 Å²	49.5	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-72.7	-27	-179.7	-61.9	-23.9	0	0	0	111.8	I954 M955 S961 K969 W971	I954-D957 PolarHBondContact O-N 3.48Å; M955-D957 PolarHBondContact O-N 3.28Å; D957-S961 WeakPolarHBondContact O-CB 3.32Å; D957-S961 PolarHBondContact O-N 2.81Å; D957-S961 VanDerWaalsContact O-N 3.08Å; D957-S961 PolarHBondContact O-OG 2.91Å; D957-K969 WeakPolarHBondContact OD1-CD 3.41Å; D957-K969 WeakPolarHBondContact OD1-CE 3.39Å; D957-K969 IonicContact OD1-NZ 2.73Å; D957-K969 PolarHBondContact OD1-NZ 3.32Å; D957-W971 HydrophobicContact CB-CB 4.01Å; D957-W971 HydrophobicContact CB-CD2 4.18Å; D957-W971 HydrophobicContact CB-CG 3.83Å
958	I	98.5	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-46.5	171.9	-60.2	176.8	0	0	0	110	L932 A951 I954 M955 E956 A962 C985 I988	L932-I958 HydrophobicContact CD2-CB 4.48Å; L932-I958 HydrophobicContact CD2-CD1 3.64Å; L932-I958 HydrophobicContact CD2-CG1 3.72Å; L932-I958 HydrophobicContact CD2-CG2 4Å; A951-I958 HydrophobicContact CB-CD1 4.49Å; A951-I958 WeakPolarHBondContact O-CD1 3.48Å; I954-I958 HydrophobicContact CG1-CD1 3.96Å; I954-I958 HydrophobicContact CG1-CG1 4.1Å; I954-I958 PolarHBondContact O-N 3.48Å; M955-I958 HydrophobicContact CE-CD1 3.98Å; M955-I958 WeakPolarHBondContact O-CB 3.41Å; M955-I958 PolarHBondContact O-N 2.69Å; M955-I958 HydrophobicContact SD-CB 4.38Å; M955-I958 HydrophobicContact SD-CD1 4.1Å; M955-I958 HydrophobicContact SD-CG2 4.48Å; E956-I958 VanDerWaalsContact C-N 3.3Å; E956-I958 PolarHBondContact O-N 3.29Å; I958-A962 PolarHBondContact O-N 3.04Å; I958-A962 VanDerWaalsContact O-N 3.17Å; I958-C985 HydrophobicContact CG2-CB 3.96Å; I958-C985 WeakPolarHBondContact O-CB 3.49Å; I958-I988 HydrophobicContact CG2-CB 4.29Å; I958-I988 HydrophobicContact CG2-CG2 4.05Å
959	L	98.6	Very high	97.5	Very high	42 Å²	42	53.3 Å²	53.3	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-71.1	-45.1	-179.8	-64.4	176.2	0	0	0	111.8	M955 E956 S961 A962 D963 A989	M955-L959 HydrophobicContact CG-CD1 4.42Å; M955-L959 WeakPolarHBondContact O-CG 3.08Å; M955-L959 PolarHBondContact O-N 3.18Å; E956-L959 PolarHBondContact O-N 2.82Å; L959-S961 VanDerWaalsContact C-N 3.32Å; L959-S961 PolarHBondContact O-N 3.37Å; L959-A962 WeakPolarHBondContact O-CB 3.22Å; L959-A962 PolarHBondContact O-N 3.46Å; L959-D963 VanDerWaalsContact O-CG 3.29Å; L959-D963 PolarHBondContact O-N 3.02Å; L959-A989 HydrophobicContact CD2-CB 3.65Å
960	D	98.6	Very high	97.4	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.193	27%	0.273	C	S	.	.	H	α-helix	trans	-53.1	-48.1	171.3	167.5	100.6	0	0	0	111.6	E956 A962 D963 D964 K969	E956-D960 VanDerWaalsContact O-CB 3.3Å; E956-D960 WeakPolarHBondContact O-CB 3.16Å; E956-D960 PolarHBondContact O-N 2.81Å; D960-A962 PolarHBondContact O-N 3.09Å; D960-D963 PolarHBondContact O-N 2.8Å; D960-D964 PolarHBondContact O-N 3.27Å; D960-K969 HydrophobicContact CB-CD 4.42Å; D960-K969 WeakPolarHBondContact OD1-CG 3.31Å; D960-K969 PolarHBondContact OD1-N 3.32Å; D960-K969 WeakPolarHBondContact OD2-CA 3.37Å; D960-K969 VanDerWaalsContact OD2-CB 3.24Å; D960-K969 WeakPolarHBondContact OD2-CB 3.24Å; D960-K969 PolarHBondContact OD2-N 2.83Å
961	S	98.4	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-27.5	177.7	-65.9	0	0	0	0	113.1	D957 L959 P965 W972 L982	D957-S961 WeakPolarHBondContact O-CB 3.32Å; D957-S961 PolarHBondContact O-N 2.81Å; D957-S961 VanDerWaalsContact O-N 3.08Å; D957-S961 PolarHBondContact O-OG 2.91Å; L959-S961 VanDerWaalsContact C-N 3.32Å; L959-S961 PolarHBondContact O-N 3.37Å; S961-P965 WeakPolarHBondContact O-CG 3.36Å; S961-W972 PolarHBondContact OG-N 3.38Å; S961-L982 WeakPolarHBondContact O-CD1 3.47Å
962	A	98.3	Very high	97.4	Very high	13 Å²	13	52 Å²	52	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-83.4	-35.9	178.3	0	0	0	0	0	112.8	I958 L959 D960 C985 M986 A989	I958-A962 PolarHBondContact O-N 3.04Å; I958-A962 VanDerWaalsContact O-N 3.17Å; L959-A962 WeakPolarHBondContact O-CB 3.22Å; L959-A962 PolarHBondContact O-N 3.46Å; D960-A962 PolarHBondContact O-N 3.09Å; A962-C985 HydrophobicContact CB-CB 4.32Å; A962-M986 HydrophobicContact CB-CG 4.14Å; A962-A989 HydrophobicContact CB-CB 3.71Å
963	D	97.8	Very high	97.3	Very high	96 Å²	96	50.2 Å²	50.2	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-85.1	-43.6	-173.5	-66.4	-22.2	0	0	0	113	L959 D960 R993	L959-D963 VanDerWaalsContact O-CG 3.29Å; L959-D963 PolarHBondContact O-N 3.02Å; D960-D963 PolarHBondContact O-N 2.8Å; D963-R993 IonicContact OD1-CZ 2.89Å; D963-R993 VanDerWaalsContact OD1-CZ 3.25Å; D963-R993 IonicContact OD1-NH1 2.67Å; D963-R993 PolarHBondContact OD1-NH1 3.34Å; D963-R993 IonicContact OD1-NH2 3.98Å; D963-R993 PolarHBondContact OD1-NH2 2.86Å; D963-R993 IonicContact OD2-CZ 2.56Å; D963-R993 IonicContact OD2-NH1 3.21Å; D963-R993 IonicContact OD2-NH2 2.67Å; D963-R993 PolarHBondContact OD2-NH2 3.38Å
964	D	96.8	Very high	97.2	Very high	58 Å²	58	52.6 Å²	52.6	31%	0.31	27%	0.265	S	S	.	.			trans	-131.1	74.2	176.5	-169.2	-8.2	0	0	0	111.6	D960 L966 N967 G968	D960-D964 PolarHBondContact O-N 3.27Å; D964-L966 PolarHBondContact O-N 2.93Å; D964-N967 WeakPolarHBondContact OD1-CA 3.48Å; D964-N967 WeakPolarHBondContact OD1-CB 3.18Å; D964-N967 PolarHBondContact OD1-N 3.21Å; D964-N967 PolarHBondContact OD1-ND2 3.45Å; D964-N967 VanDerWaalsContact OD2-CB 3.3Å; D964-N967 WeakPolarHBondContact OD2-CB 3.24Å; D964-G968 VanDerWaalsContact CG-N 3.3Å; D964-G968 PolarHBondContact O-N 3.19Å; D964-G968 VanDerWaalsContact O-N 3.09Å; D964-G968 PolarHBondContact OD2-N 3.35Å
965	P	96.8	Very high	97.2	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.104	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.4	-175.1	-24.6	34.1	0	0	0	115	I802 S961 W972 L982 M986	I802-P965 HydrophobicContact CD1-CB 4.07Å; I802-P965 HydrophobicContact CD1-CG 3.89Å; S961-P965 WeakPolarHBondContact O-CG 3.36Å; P965-W972 PolarHBondContact O-NE1 2.94Å; P965-L982 HydrophobicContact CB-CD1 3.82Å; P965-L982 HydrophobicContact CB-CD2 4.12Å; P965-L982 HydrophobicContact CG-CD1 4.01Å; P965-M986 HydrophobicContact CG-CE 3.69Å
966	L	94.4	Very high	97	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.288	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-22.4	-170.1	-63.4	-175.1	0	0	0	114.4	I802 I806 D964 K970 M973	I802-L966 HydrophobicContact CG2-CD1 4.28Å; I802-L966 HydrophobicContact CG2-CD2 3.98Å; I802-L966 HydrophobicContact CG2-CG 4.31Å; I806-L966 HydrophobicContact CD1-CD2 3.98Å; I806-L966 HydrophobicContact CG1-CD2 4.5Å; D964-L966 PolarHBondContact O-N 2.93Å; L966-K970 WeakPolarHBondContact O-CD 3.48Å; L966-K970 WeakPolarHBondContact O-CE 3.24Å; L966-K970 PolarHBondContact O-NZ 3.06Å; L966-M973 HydrophobicContact CD2-CE 4.28Å
967	N	95.3	Very high	97	Very high	126 Å²	126	52 Å²	52	67%	0.674	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-16.4	-179.3	-31.4	-89.6	0	0	0	113.9	D964	D964-N967 WeakPolarHBondContact OD1-CA 3.48Å; D964-N967 WeakPolarHBondContact OD1-CB 3.18Å; D964-N967 PolarHBondContact OD1-N 3.21Å; D964-N967 PolarHBondContact OD1-ND2 3.45Å; D964-N967 VanDerWaalsContact OD2-CB 3.3Å; D964-N967 WeakPolarHBondContact OD2-CB 3.24Å
968	G	95.6	Very high	97	Very high	19 Å²	19	50.9 Å²	50.9	20%	0.196	26%	0.262	C	S	.	.	S	Bend	trans	-69.8	-158.5	173.6	0	0	0	0	0	114.5	D964 K970	D964-G968 VanDerWaalsContact CG-N 3.3Å; D964-G968 PolarHBondContact O-N 3.19Å; D964-G968 VanDerWaalsContact O-N 3.09Å; D964-G968 PolarHBondContact OD2-N 3.35Å; G968-K970 WeakPolarHBondContact O-CE 3.37Å; G968-K970 PolarHBondContact O-N 2.87Å; G968-K970 VanDerWaalsContact O-N 3.15Å
969	K	96.6	Very high	97	Very high	115 Å²	115	51 Å²	51	50%	0.5	26%	0.263	S	S	.	.			trans	-62.8	-20.4	-179.7	-55.7	173.7	-161.3	-177.6	0	113.2	E956 D957 D960 W971	E956-K969 IonicContact OE2-NZ 3.24Å; D957-K969 WeakPolarHBondContact OD1-CD 3.41Å; D957-K969 WeakPolarHBondContact OD1-CE 3.39Å; D957-K969 IonicContact OD1-NZ 2.73Å; D957-K969 PolarHBondContact OD1-NZ 3.32Å; D960-K969 HydrophobicContact CB-CD 4.42Å; D960-K969 WeakPolarHBondContact OD1-CG 3.31Å; D960-K969 PolarHBondContact OD1-N 3.32Å; D960-K969 WeakPolarHBondContact OD2-CA 3.37Å; D960-K969 VanDerWaalsContact OD2-CB 3.24Å; D960-K969 WeakPolarHBondContact OD2-CB 3.24Å; D960-K969 PolarHBondContact OD2-N 2.83Å; K969-W971 PolarHBondContact O-N 2.81Å
970	K	96.4	Very high	97	Very high	76 Å²	76	49.1 Å²	49.1	33%	0.33	25%	0.253	S	S	.	.			trans	59.4	25.2	176.7	-71.9	166.2	-106.8	-155.9	0	114.3	L966 G968 W972 M973	L966-K970 WeakPolarHBondContact O-CD 3.48Å; L966-K970 WeakPolarHBondContact O-CE 3.24Å; L966-K970 PolarHBondContact O-NZ 3.06Å; G968-K970 WeakPolarHBondContact O-CE 3.37Å; G968-K970 PolarHBondContact O-N 2.87Å; G968-K970 VanDerWaalsContact O-N 3.15Å; K970-W972 PolarHBondContact O-N 3.48Å; K970-W972 VanDerWaalsContact O-N 3.09Å; K970-M973 HydrophobicContact CB-CE 4.26Å; K970-M973 HydrophobicContact CB-CG 4.23Å; K970-M973 HydrophobicContact CB-SD 4.04Å; K970-M973 HydrophobicContact CD-CE 3.94Å; K970-M973 HydrophobicContact CD-SD 4.26Å; K970-M973 HydrophobicContact CG-CE 3.89Å; K970-M973 HydrophobicContact CG-SD 4.27Å; K970-M973 WeakPolarHBondContact O-CB 3.5Å; K970-M973 PolarHBondContact O-N 3.46Å
971	W	97.6	Very high	96.9	Very high	42 Å²	42	47.4 Å²	47.4	16%	0.159	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-50.4	-38.4	-177.4	169.1	91.4	0	0	0	113.6	L932 T936 I954 D957 K969 M973 E974	L932-W971 HydrophobicContact CD1-CH2 4.24Å; L932-W971 HydrophobicContact CD1-CZ3 4.18Å; L932-W971 HydrophobicContact CD2-CH2 4.22Å; L932-W971 HydrophobicContact CD2-CZ3 4.23Å; L932-W971 HydrophobicContact CG-CH2 4.21Å; L932-W971 HydrophobicContact CG-CZ3 4.47Å; T936-W971 HydrophobicContact CG2-CH2 3.32Å; T936-W971 HydrophobicContact CG2-CZ2 3.49Å; T936-W971 VanDerWaalsContact CG2-CZ2 3.49Å; T936-W971 HydrophobicContact CG2-CZ3 4.4Å; I954-W971 HydrophobicContact CD1-CH2 3.85Å; I954-W971 HydrophobicContact CD1-CZ2 3.36Å; D957-W971 HydrophobicContact CB-CB 4.01Å; D957-W971 HydrophobicContact CB-CD2 4.18Å; D957-W971 HydrophobicContact CB-CG 3.83Å; K969-W971 PolarHBondContact O-N 2.81Å; W971-M973 PolarHBondContact O-N 3.25Å; W971-M973 VanDerWaalsContact O-N 3.12Å; W971-E974 PolarHBondContact O-N 3.21Å; W971-E974 VanDerWaalsContact O-N 3.1Å
972	W	97.6	Very high	97	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-56	-26.6	177.3	69.6	-91.3	0	0	0	114.4	L815 S961 P965 K970 E974 A975 P978 W979 L982	L815-W972 HydrophobicContact CD1-CH2 3.93Å; L815-W972 HydrophobicContact CD1-CZ3 4.47Å; L815-W972 HydrophobicContact CD2-CH2 4.14Å; L815-W972 HydrophobicContact CD2-CZ3 3.86Å; S961-W972 PolarHBondContact OG-N 3.38Å; P965-W972 PolarHBondContact O-NE1 2.94Å; K970-W972 PolarHBondContact O-N 3.48Å; K970-W972 VanDerWaalsContact O-N 3.09Å; W972-E974 PolarHBondContact O-N 2.84Å; W972-A975 WeakPolarHBondContact O-CB 3.21Å; W972-A975 PolarHBondContact O-N 3.2Å; W972-P978 HydrophobicContact CE3-CB 3.89Å; W972-P978 HydrophobicContact CZ3-CB 4.07Å; W972-P978 WeakPolarHBondContact O-CB 3.36Å; W972-W979 HydrophobicContact CH2-CD2 4.41Å; W972-W979 HydrophobicContact CH2-CE3 4.09Å; W972-W979 AromaticContact CH2-CH2 3.72Å; W972-W979 HydrophobicContact CH2-CH2 3.72Å; W972-W979 HydrophobicContact CH2-CZ2 4.04Å; W972-W979 AromaticContact CH2-CZ3 3.74Å; W972-W979 HydrophobicContact CH2-CZ3 3.74Å; W972-W979 HydrophobicContact CZ3-CD2 4.13Å; W972-W979 HydrophobicContact CZ3-CE3 4.08Å; W972-W979 HydrophobicContact CZ3-CH2 4.38Å; W972-W979 HydrophobicContact CZ3-CZ2 4.4Å; W972-W979 HydrophobicContact CZ3-CZ3 4.21Å; W972-L982 HydrophobicContact CB-CB 4.22Å; W972-L982 HydrophobicContact CD2-CB 3.8Å; W972-L982 HydrophobicContact CD2-CD1 4.13Å; W972-L982 HydrophobicContact CD2-CD2 4.12Å; W972-L982 HydrophobicContact CD2-CG 4.23Å; W972-L982 HydrophobicContact CE3-CB 3.75Å; W972-L982 HydrophobicContact CE3-CD2 4.24Å; W972-L982 HydrophobicContact CE3-CG 4.48Å; W972-L982 HydrophobicContact CG-CB 4.04Å; W972-L982 HydrophobicContact CG-CD1 3.98Å; W972-L982 HydrophobicContact CG-CG 4.48Å; W972-L982 HydrophobicContact CH2-CD2 3.91Å; W972-L982 HydrophobicContact CZ2-CD2 3.79Å; W972-L982 HydrophobicContact CZ3-CB 4.29Å; W972-L982 HydrophobicContact CZ3-CD2 4.14Å
973	M	97	Very high	97	Very high	34 Å²	34	46.9 Å²	46.9	17%	0.167	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-71.5	-11.2	179.7	-60.2	-170.1	-179.4	0	0	113.5	K814 L815 L966 K970 W971	K814-M973 WeakPolarHBondContact CE-O 3.12Å; L815-M973 HydrophobicContact CD1-CE 4.2Å; L815-M973 HydrophobicContact CD1-SD 4.32Å; L815-M973 HydrophobicContact CD2-CB 4.28Å; L815-M973 HydrophobicContact CD2-CG 4.11Å; L966-M973 HydrophobicContact CD2-CE 4.28Å; K970-M973 HydrophobicContact CB-CE 4.26Å; K970-M973 HydrophobicContact CB-CG 4.23Å; K970-M973 HydrophobicContact CB-SD 4.04Å; K970-M973 HydrophobicContact CD-CE 3.94Å; K970-M973 HydrophobicContact CD-SD 4.26Å; K970-M973 HydrophobicContact CG-CE 3.89Å; K970-M973 HydrophobicContact CG-SD 4.27Å; K970-M973 WeakPolarHBondContact O-CB 3.5Å; K970-M973 PolarHBondContact O-N 3.46Å; W971-M973 PolarHBondContact O-N 3.25Å; W971-M973 VanDerWaalsContact O-N 3.12Å
974	E	95.4	Very high	97	Very high	136 Å²	136	42.3 Å²	42.3	64%	0.636	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-95.4	5.6	178.2	-50	-51.1	145.4	0	0	113.7	K814 W971 W972	K814-E974 IonicContact NZ-OE1 2.92Å; K814-E974 PolarHBondContact NZ-OE1 3.41Å; K814-E974 IonicContact NZ-OE2 2.9Å; K814-E974 PolarHBondContact NZ-OE2 3.23Å; W971-E974 PolarHBondContact O-N 3.21Å; W971-E974 VanDerWaalsContact O-N 3.1Å; W972-E974 PolarHBondContact O-N 2.84Å
975	A	96.1	Very high	97.1	Very high	16 Å²	16	39.6 Å²	39.6	13%	0.132	20%	0.2	C	C	.	.	S	Bend	trans	-79.7	154	-179.5	0	0	0	0	0	113.9	W972 E977 A981	W972-A975 WeakPolarHBondContact O-CB 3.21Å; W972-A975 PolarHBondContact O-N 3.2Å; A975-E977 VanDerWaalsContact C-N 3.29Å; A975-E977 PolarHBondContact O-N 3.24Å; A975-A981 HydrophobicContact CB-CB 3.8Å
976	D	95.3	Very high	97.2	Very high	104 Å²	104	40.1 Å²	40.1	56%	0.556	20%	0.202	S	C	*	.	S	Bend	trans	-54.6	-40.8	169.5	-99.8	48.6	0	0	0	112	L935 T936 K940	L935-D976 WeakPolarHBondContact O-CB 3.13Å; L935-D976 PolarHBondContact O-N 3.48Å; T936-D976 PolarHBondContact O-N 3.39Å; K940-D976 WeakPolarHBondContact CE-OD2 3.29Å; K940-D976 IonicContact NZ-OD1 2.75Å; K940-D976 PolarHBondContact NZ-OD1 2.92Å; K940-D976 IonicContact NZ-OD2 3.36Å; K940-D976 PolarHBondContact NZ-OD2 2.88Å
977	E	97.3	Very high	97.4	Very high	69 Å²	69	38.6 Å²	38.6	32%	0.322	19%	0.193	S	C	.	.	S	Bend	trans	-129.8	83.7	176.4	-50.4	-134.8	177.4	0	0	109.5	D906 R909 L935 A975 Q980 A981	D906-E977 HydrophobicContact CB-CB 4.46Å; R909-E977 IonicContact CZ-OE2 2.97Å; R909-E977 IonicContact NH1-OE1 3.31Å; R909-E977 IonicContact NH1-OE2 2.67Å; R909-E977 PolarHBondContact NH1-OE2 2.89Å; L935-E977 HydrophobicContact CD2-CB 4.26Å; L935-E977 PolarHBondContact O-N 2.89Å; L935-E977 VanDerWaalsContact O-N 3.08Å; A975-E977 VanDerWaalsContact C-N 3.29Å; A975-E977 PolarHBondContact O-N 3.24Å; E977-Q980 PolarHBondContact OE2-NE2 2.81Å; E977-A981 WeakPolarHBondContact O-CB 3.38Å; E977-A981 PolarHBondContact O-N 3.43Å
978	P	98.1	Very high	97.6	Very high	16 Å²	16	32.6 Å²	32.6	10%	0.104	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-38.9	-163	26	-35.5	0	0	0	115.4	L815 D906 W972 A981 L982	L815-P978 HydrophobicContact CD2-CB 4.23Å; L815-P978 HydrophobicContact CD2-CG 4.17Å; D906-P978 WeakPolarHBondContact OD2-CD 3.48Å; D906-P978 VanDerWaalsContact OD2-N 3.16Å; W972-P978 HydrophobicContact CE3-CB 3.89Å; W972-P978 HydrophobicContact CZ3-CB 4.07Å; W972-P978 WeakPolarHBondContact O-CB 3.36Å; P978-A981 WeakPolarHBondContact O-CB 3.49Å; P978-A981 PolarHBondContact O-N 3.32Å; P978-L982 PolarHBondContact O-N 3.06Å
979	W	98.5	Very high	97.7	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-41.6	-179.3	-66.9	101.4	0	0	0	111.8	I799 I802 I803 I806 L815 I817 D906 V907 A910 W972 A981 L982 A983	I799-W979 HydrophobicContact CG2-CE3 4.39Å; I802-W979 HydrophobicContact CB-CZ3 4.37Å; I802-W979 HydrophobicContact CG2-CH2 3.9Å; I802-W979 HydrophobicContact CG2-CZ3 3.73Å; I803-W979 HydrophobicContact CD1-CD2 4.24Å; I803-W979 HydrophobicContact CD1-CE3 4Å; I803-W979 HydrophobicContact CD1-CZ3 4.36Å; I803-W979 HydrophobicContact CG1-CD2 3.94Å; I803-W979 HydrophobicContact CG1-CE3 3.61Å; I803-W979 HydrophobicContact CG1-CH2 3.74Å; I803-W979 HydrophobicContact CG1-CZ2 4.08Å; I803-W979 HydrophobicContact CG1-CZ3 3.5Å; I803-W979 VanDerWaalsContact CG1-CZ3 3.5Å; I806-W979 HydrophobicContact CD1-CH2 3.87Å; I806-W979 HydrophobicContact CD1-CZ2 4.24Å; L815-W979 HydrophobicContact CB-CZ2 3.86Å; L815-W979 HydrophobicContact CD1-CH2 4.43Å; L815-W979 HydrophobicContact CD1-CZ2 3.85Å; L815-W979 HydrophobicContact CG-CZ2 4.35Å; L815-W979 PolarHBondContact O-NE1 2.86Å; I817-W979 HydrophobicContact CD1-CH2 3.97Å; I817-W979 HydrophobicContact CD1-CZ2 3.37Å; I817-W979 HydrophobicContact CG1-CZ2 4.13Å; D906-W979 WeakPolarHBondContact OD2-CB 3.35Å; D906-W979 VanDerWaalsContact OD2-CD1 3.28Å; D906-W979 PolarHBondContact OD2-N 3.1Å; V907-W979 HydrophobicContact CG2-CG 4.36Å; A910-W979 HydrophobicContact CB-CB 3.44Å; A910-W979 VanDerWaalsContact CB-CB 3.44Å; A910-W979 WeakPolarHBondContact CB-O 3.32Å; W972-W979 HydrophobicContact CH2-CD2 4.41Å; W972-W979 HydrophobicContact CH2-CE3 4.09Å; W972-W979 AromaticContact CH2-CH2 3.72Å; W972-W979 HydrophobicContact CH2-CH2 3.72Å; W972-W979 HydrophobicContact CH2-CZ2 4.04Å; W972-W979 AromaticContact CH2-CZ3 3.74Å; W972-W979 HydrophobicContact CH2-CZ3 3.74Å; W972-W979 HydrophobicContact CZ3-CD2 4.13Å; W972-W979 HydrophobicContact CZ3-CE3 4.08Å; W972-W979 HydrophobicContact CZ3-CH2 4.38Å; W972-W979 HydrophobicContact CZ3-CZ2 4.4Å; W972-W979 HydrophobicContact CZ3-CZ3 4.21Å; W979-A981 VanDerWaalsContact C-N 3.27Å; W979-A981 PolarHBondContact O-N 2.94Å; W979-L982 HydrophobicContact CE3-CD2 4.16Å; W979-L982 HydrophobicContact CZ3-CD2 4.06Å; W979-L982 PolarHBondContact O-N 2.89Å; W979-A983 VanDerWaalsContact O-CB 3.28Å; W979-A983 WeakPolarHBondContact O-CB 3.25Å; W979-A983 PolarHBondContact O-N 2.9Å
980	Q	98.4	Very high	97.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-35.9	170.9	-78.7	161.3	102.4	0	0	110.9	D906 R909 A910 L935 E977 C984 H1007	D906-Q980 WeakPolarHBondContact OD1-CB 3.39Å; D906-Q980 VanDerWaalsContact OD1-CG 3.32Å; D906-Q980 WeakPolarHBondContact OD1-CG 3.17Å; D906-Q980 PolarHBondContact OD1-N 3.09Å; D906-Q980 PolarHBondContact OD1-NE2 3.47Å; R909-Q980 HydrophobicContact CB-CG 3.98Å; A910-Q980 HydrophobicContact CB-CG 4.29Å; L935-Q980 HydrophobicContact CD1-CB 3.8Å; L935-Q980 WeakPolarHBondContact CD1-O 3.29Å; L935-Q980 HydrophobicContact CD2-CB 3.75Å; L935-Q980 HydrophobicContact CG-CB 4.35Å; E977-Q980 PolarHBondContact OE2-NE2 2.81Å; Q980-C984 VanDerWaalsContact O-CB 3.29Å; Q980-C984 WeakPolarHBondContact O-CB 3.47Å; Q980-C984 PolarHBondContact O-N 3.4Å; Q980-H1007 PolarHBondContact OE1-CE1 3.15Å
981	A	98.4	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-51.1	176.4	0	0	0	0	0	111.2	L932 L935 A975 E977 P978 W979 A983 C984 C985	L932-A981 HydrophobicContact CD1-CB 3.81Å; L932-A981 WeakPolarHBondContact CD1-O 3.41Å; L935-A981 HydrophobicContact CB-CB 4.19Å; A975-A981 HydrophobicContact CB-CB 3.8Å; E977-A981 WeakPolarHBondContact O-CB 3.38Å; E977-A981 PolarHBondContact O-N 3.43Å; P978-A981 WeakPolarHBondContact O-CB 3.49Å; P978-A981 PolarHBondContact O-N 3.32Å; W979-A981 VanDerWaalsContact C-N 3.27Å; W979-A981 PolarHBondContact O-N 2.94Å; A981-A983 VanDerWaalsContact C-N 3.34Å; A981-A983 PolarHBondContact O-N 3.02Å; A981-C984 PolarHBondContact O-N 2.79Å; A981-C984 VanDerWaalsContact O-N 3.11Å; A981-C985 PolarHBondContact O-N 3.44Å; A981-C985 PolarHBondContact O-SG 3.38Å
982	L	98.8	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-54.9	-48	174.6	176.7	61.3	0	0	0	112.2	I799 I802 S961 P965 W972 P978 W979 C984 C985 M986	I799-L982 HydrophobicContact CD1-CB 4.26Å; I799-L982 HydrophobicContact CD1-CD2 3.67Å; I799-L982 HydrophobicContact CD1-CG 3.64Å; I802-L982 HydrophobicContact CD1-CD2 4.32Å; S961-L982 WeakPolarHBondContact O-CD1 3.47Å; P965-L982 HydrophobicContact CB-CD1 3.82Å; P965-L982 HydrophobicContact CB-CD2 4.12Å; P965-L982 HydrophobicContact CG-CD1 4.01Å; W972-L982 HydrophobicContact CB-CB 4.22Å; W972-L982 HydrophobicContact CD2-CB 3.8Å; W972-L982 HydrophobicContact CD2-CD1 4.13Å; W972-L982 HydrophobicContact CD2-CD2 4.12Å; W972-L982 HydrophobicContact CD2-CG 4.23Å; W972-L982 HydrophobicContact CE3-CB 3.75Å; W972-L982 HydrophobicContact CE3-CD2 4.24Å; W972-L982 HydrophobicContact CE3-CG 4.48Å; W972-L982 HydrophobicContact CG-CB 4.04Å; W972-L982 HydrophobicContact CG-CD1 3.98Å; W972-L982 HydrophobicContact CG-CG 4.48Å; W972-L982 HydrophobicContact CH2-CD2 3.91Å; W972-L982 HydrophobicContact CZ2-CD2 3.79Å; W972-L982 HydrophobicContact CZ3-CB 4.29Å; W972-L982 HydrophobicContact CZ3-CD2 4.14Å; P978-L982 PolarHBondContact O-N 3.06Å; W979-L982 HydrophobicContact CE3-CD2 4.16Å; W979-L982 HydrophobicContact CZ3-CD2 4.06Å; W979-L982 PolarHBondContact O-N 2.89Å; L982-C984 VanDerWaalsContact C-N 3.26Å; L982-C984 PolarHBondContact O-N 3.39Å; L982-C985 WeakPolarHBondContact O-CB 3.31Å; L982-C985 PolarHBondContact O-N 3.46Å; L982-C985 VanDerWaalsContact O-N 3.16Å; L982-M986 HydrophobicContact CD1-CE 4.12Å; L982-M986 HydrophobicContact CG-CE 4.27Å; L982-M986 PolarHBondContact O-N 2.78Å
983	A	98.6	Very high	97.9	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-33.8	178.8	0	0	0	0	0	112.6	I799 A910 W979 A981 E987 F1004	I799-A983 HydrophobicContact CD1-CB 3.88Å; I799-A983 HydrophobicContact CG1-CB 3.8Å; A910-A983 HydrophobicContact CB-CB 4.28Å; W979-A983 VanDerWaalsContact O-CB 3.28Å; W979-A983 WeakPolarHBondContact O-CB 3.25Å; W979-A983 PolarHBondContact O-N 2.9Å; A981-A983 VanDerWaalsContact C-N 3.34Å; A981-A983 PolarHBondContact O-N 3.02Å; A983-E987 PolarHBondContact O-N 2.89Å; A983-F1004 HydrophobicContact CB-CE2 3.69Å; A983-F1004 HydrophobicContact CB-CZ 4.5Å
984	C	98.7	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-76	-35.1	174.8	-164.7	0	0	0	0	112	L932 L935 Q980 A981 L982 M986 E987 I988 F1004	L932-C984 HydrophobicContact CB-CB 4.39Å; L932-C984 HydrophobicContact CD1-CB 4.23Å; L935-C984 HydrophobicContact CD1-CB 4.09Å; Q980-C984 VanDerWaalsContact O-CB 3.29Å; Q980-C984 WeakPolarHBondContact O-CB 3.47Å; Q980-C984 PolarHBondContact O-N 3.4Å; A981-C984 PolarHBondContact O-N 2.79Å; A981-C984 VanDerWaalsContact O-N 3.11Å; L982-C984 VanDerWaalsContact C-N 3.26Å; L982-C984 PolarHBondContact O-N 3.39Å; C984-M986 VanDerWaalsContact C-N 3.34Å; C984-M986 PolarHBondContact O-N 3.37Å; C984-E987 PolarHBondContact O-N 2.87Å; C984-I988 WeakPolarHBondContact O-CB 3.33Å; C984-I988 VanDerWaalsContact O-CG1 3.29Å; C984-I988 WeakPolarHBondContact O-CG1 3.37Å; C984-I988 PolarHBondContact O-N 3.45Å; C984-F1004 HydrophobicContact CB-CE1 4.1Å; C984-F1004 HydrophobicContact CB-CE2 4.1Å; C984-F1004 HydrophobicContact CB-CZ 3.74Å
985	C	98.8	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-46	170.7	-66.5	0	0	0	0	111.3	I958 A962 A981 L982 I988 A989	I958-C985 HydrophobicContact CG2-CB 3.96Å; I958-C985 WeakPolarHBondContact O-CB 3.49Å; A962-C985 HydrophobicContact CB-CB 4.32Å; A981-C985 PolarHBondContact O-N 3.44Å; A981-C985 PolarHBondContact O-SG 3.38Å; L982-C985 WeakPolarHBondContact O-CB 3.31Å; L982-C985 PolarHBondContact O-N 3.46Å; L982-C985 VanDerWaalsContact O-N 3.16Å; C985-I988 PolarHBondContact O-N 3.14Å; C985-A989 WeakPolarHBondContact O-CB 3.3Å; C985-A989 PolarHBondContact O-N 2.76Å
986	M	98.7	Very high	98	Very high	27 Å²	27	35.1 Å²	35.1	13%	0.133	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-44.8	175.8	-69.4	178.7	172	0	0	112.4	P798 I799 I802 A962 P965 L982 C984 I988 A989 N990	P798-M986 HydrophobicContact CB-CE 4.47Å; P798-M986 HydrophobicContact CB-SD 4.15Å; I799-M986 HydrophobicContact CD1-CE 4.25Å; I799-M986 HydrophobicContact CD1-SD 3.77Å; I799-M986 HydrophobicContact CG1-SD 4.21Å; I802-M986 HydrophobicContact CD1-CE 3.84Å; A962-M986 HydrophobicContact CB-CG 4.14Å; P965-M986 HydrophobicContact CG-CE 3.69Å; L982-M986 HydrophobicContact CD1-CE 4.12Å; L982-M986 HydrophobicContact CG-CE 4.27Å; L982-M986 PolarHBondContact O-N 2.78Å; C984-M986 VanDerWaalsContact C-N 3.34Å; C984-M986 PolarHBondContact O-N 3.37Å; M986-I988 PolarHBondContact O-N 3.05Å; M986-A989 PolarHBondContact O-N 2.86Å; M986-N990 WeakPolarHBondContact O-CB 3.42Å; M986-N990 PolarHBondContact O-N 3.2Å; M986-N990 PolarHBondContact O-ND2 3.37Å; M986-N990 VanDerWaalsContact O-ND2 3.13Å
987	E	98.6	Very high	98.1	Very high	23 Å²	23	32.1 Å²	32.1	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-40.1	177.1	-165.6	84.7	149.8	0	0	112	L928 A983 C984 N990 A991 F1000 S1002 H1003 F1004	L928-E987 HydrophobicContact CD1-CG 3.87Å; L928-E987 HydrophobicContact CD2-CG 4.31Å; A983-E987 PolarHBondContact O-N 2.89Å; C984-E987 PolarHBondContact O-N 2.87Å; E987-N990 PolarHBondContact O-N 2.99Å; E987-A991 WeakPolarHBondContact O-CB 3.46Å; E987-A991 PolarHBondContact O-N 3.48Å; E987-F1000 HydrophobicContact CG-CE1 4.29Å; E987-S1002 VanDerWaalsContact OE1-CA 3.23Å; E987-S1002 WeakPolarHBondContact OE1-CA 3.08Å; E987-S1002 VanDerWaalsContact OE1-CB 3.31Å; E987-S1002 WeakPolarHBondContact OE1-CB 3.46Å; E987-S1002 PolarHBondContact OE1-OG 2.86Å; E987-H1003 PolarHBondContact OE1-N 3.47Å; E987-F1004 HydrophobicContact CB-CB 4.17Å; E987-F1004 HydrophobicContact CB-CD2 4.3Å; E987-F1004 HydrophobicContact CB-CG 4.39Å; E987-F1004 HydrophobicContact CG-CB 3.67Å; E987-F1004 HydrophobicContact CG-CG 4.4Å; E987-F1004 WeakPolarHBondContact OE1-CB 3.26Å; E987-F1004 PolarHBondContact OE1-N 2.86Å; E987-F1004 VanDerWaalsContact OE1-N 3.13Å
988	I	98.7	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-44.2	175.8	-69.9	164.6	0	0	0	111	L925 L928 K929 L932 M955 I958 C984 C985 M986 A991 V992	L925-I988 HydrophobicContact CD1-CG2 4.33Å; L928-I988 HydrophobicContact CB-CD1 4.23Å; L928-I988 HydrophobicContact CB-CG1 3.75Å; L928-I988 HydrophobicContact CD1-CG1 4.41Å; K929-I988 HydrophobicContact CG-CD1 4.38Å; L932-I988 HydrophobicContact CB-CD1 3.97Å; L932-I988 HydrophobicContact CD2-CD1 3.83Å; M955-I988 HydrophobicContact SD-CG2 4.15Å; I958-I988 HydrophobicContact CG2-CB 4.29Å; I958-I988 HydrophobicContact CG2-CG2 4.05Å; C984-I988 WeakPolarHBondContact O-CB 3.33Å; C984-I988 VanDerWaalsContact O-CG1 3.29Å; C984-I988 WeakPolarHBondContact O-CG1 3.37Å; C984-I988 PolarHBondContact O-N 3.45Å; C985-I988 PolarHBondContact O-N 3.14Å; M986-I988 PolarHBondContact O-N 3.05Å; I988-A991 PolarHBondContact O-N 2.92Å; I988-V992 HydrophobicContact CG2-CG2 4.2Å; I988-V992 WeakPolarHBondContact O-CB 3.44Å; I988-V992 VanDerWaalsContact O-CG2 3.31Å; I988-V992 WeakPolarHBondContact O-CG2 3.24Å; I988-V992 PolarHBondContact O-N 2.96Å
989	A	98.6	Very high	98.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-60.2	-46.3	177.1	0	0	0	0	0	111.3	L959 A962 C985 M986 A991 V992 R993	L959-A989 HydrophobicContact CD2-CB 3.65Å; A962-A989 HydrophobicContact CB-CB 3.71Å; C985-A989 WeakPolarHBondContact O-CB 3.3Å; C985-A989 PolarHBondContact O-N 2.76Å; M986-A989 PolarHBondContact O-N 2.86Å; A989-A991 PolarHBondContact O-N 2.89Å; A989-V992 PolarHBondContact O-N 2.88Å; A989-R993 VanDerWaalsContact O-CB 3.29Å; A989-R993 WeakPolarHBondContact O-CB 3.39Å; A989-R993 WeakPolarHBondContact O-CD 3.47Å; A989-R993 WeakPolarHBondContact O-CG 3.38Å; A989-R993 PolarHBondContact O-N 3.44Å
990	N	98.3	Very high	98.1	Very high	84 Å²	84	39.8 Å²	39.8	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-42.6	175.5	-69.8	-27.6	0	0	0	112.3	M986 E987 S994 F1000	M986-N990 WeakPolarHBondContact O-CB 3.42Å; M986-N990 PolarHBondContact O-N 3.2Å; M986-N990 PolarHBondContact O-ND2 3.37Å; M986-N990 VanDerWaalsContact O-ND2 3.13Å; E987-N990 PolarHBondContact O-N 2.99Å; N990-S994 PolarHBondContact O-N 3.09Å; N990-F1000 HydrophobicContact CB-CE2 3.77Å; N990-F1000 HydrophobicContact CB-CZ 3.65Å
991	A	98.2	Very high	98.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-47.3	178.6	0	0	0	0	0	112.4	L920 L925 E987 I988 A989 R993 S994 P997 F1000	L920-A991 HydrophobicContact CD1-CB 3.72Å; L925-A991 HydrophobicContact CD1-CB 4.11Å; E987-A991 WeakPolarHBondContact O-CB 3.46Å; E987-A991 PolarHBondContact O-N 3.48Å; I988-A991 PolarHBondContact O-N 2.92Å; A989-A991 PolarHBondContact O-N 2.89Å; A991-R993 VanDerWaalsContact C-N 3.32Å; A991-R993 PolarHBondContact O-N 2.92Å; A991-S994 WeakPolarHBondContact O-CB 3.42Å; A991-S994 PolarHBondContact O-N 3.16Å; A991-S994 PolarHBondContact O-OG 3.07Å; A991-P997 WeakPolarHBondContact O-CB 3.08Å; A991-P997 WeakPolarHBondContact O-CG 3.36Å; A991-F1000 HydrophobicContact CB-CB 4.43Å; A991-F1000 HydrophobicContact CB-CD1 3.7Å; A991-F1000 HydrophobicContact CB-CE1 4.04Å; A991-F1000 HydrophobicContact CB-CG 3.96Å
992	V	97.9	Very high	98.1	Very high	59 Å²	59	43.8 Å²	43.8	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-67.2	-31.3	-179.3	171.5	0	0	0	0	112.3	L925 I988 A989 S994	L925-V992 HydrophobicContact CD1-CG2 4.02Å; L925-V992 HydrophobicContact CD2-CG2 4.02Å; I988-V992 HydrophobicContact CG2-CG2 4.2Å; I988-V992 WeakPolarHBondContact O-CB 3.44Å; I988-V992 VanDerWaalsContact O-CG2 3.31Å; I988-V992 WeakPolarHBondContact O-CG2 3.24Å; I988-V992 PolarHBondContact O-N 2.96Å; A989-V992 PolarHBondContact O-N 2.88Å; V992-S994 VanDerWaalsContact C-N 3.35Å
993	R	98.2	Very high	98	Very high	130 Å²	130	45.3 Å²	45.3	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.5	176.6	-67.1	168.2	-177.6	164.4	-1.6	114	D963 A989 A991	D963-R993 IonicContact OD1-CZ 2.89Å; D963-R993 VanDerWaalsContact OD1-CZ 3.25Å; D963-R993 IonicContact OD1-NH1 2.67Å; D963-R993 PolarHBondContact OD1-NH1 3.34Å; D963-R993 IonicContact OD1-NH2 3.98Å; D963-R993 PolarHBondContact OD1-NH2 2.86Å; D963-R993 IonicContact OD2-CZ 2.56Å; D963-R993 IonicContact OD2-NH1 3.21Å; D963-R993 IonicContact OD2-NH2 2.67Å; D963-R993 PolarHBondContact OD2-NH2 3.38Å; A989-R993 VanDerWaalsContact O-CB 3.29Å; A989-R993 WeakPolarHBondContact O-CB 3.39Å; A989-R993 WeakPolarHBondContact O-CD 3.47Å; A989-R993 WeakPolarHBondContact O-CG 3.38Å; A989-R993 PolarHBondContact O-N 3.44Å; A991-R993 VanDerWaalsContact C-N 3.32Å; A991-R993 PolarHBondContact O-N 2.92Å
994	S	97.3	Very high	98	Very high	26 Å²	26	46 Å²	46	18%	0.182	25%	0.245	C	C	.	.	S	Bend	trans	-74.6	152.1	175.8	76.8	0	0	0	0	111.5	N990 A991 V992 D996 P997	N990-S994 PolarHBondContact O-N 3.09Å; A991-S994 WeakPolarHBondContact O-CB 3.42Å; A991-S994 PolarHBondContact O-N 3.16Å; A991-S994 PolarHBondContact O-OG 3.07Å; V992-S994 VanDerWaalsContact C-N 3.35Å; S994-D996 PolarHBondContact O-N 3.32Å; S994-D996 VanDerWaalsContact O-N 3.13Å; S994-D996 PolarHBondContact OG-O 2.89Å; S994-P997 WeakPolarHBondContact OG-CA 3.23Å
995	P	96.5	Very high	97.9	Very high	146 Å²	146	46.5 Å²	46.5	95%	0.948	25%	0.248	S	C	*	.	S	Bend	trans	-61.8	-22.2	-179.4	-24.8	34.9	0	0	0	114.7
996	D	96.8	Very high	97.8	Very high	45 Å²	45	49.2 Å²	49.2	24%	0.241	26%	0.264	C	S	.	.			trans	-149.4	101.4	173.4	-179.6	-18.1	0	0	0	108.9	S994 T998 K999 F1000	S994-D996 PolarHBondContact O-N 3.32Å; S994-D996 VanDerWaalsContact O-N 3.13Å; S994-D996 PolarHBondContact OG-O 2.89Å; D996-T998 PolarHBondContact O-N 3.34Å; D996-T998 WeakPolarHBondContact OD1-CA 3.35Å; D996-T998 VanDerWaalsContact OD1-CB 3.31Å; D996-T998 WeakPolarHBondContact OD1-CB 3.47Å; D996-T998 PolarHBondContact OD1-N 3.31Å; D996-T998 PolarHBondContact OD1-OG1 2.99Å; D996-T998 PolarHBondContact OD2-OG1 2.84Å; D996-K999 HydrophobicContact CB-CB 4.21Å; D996-K999 HydrophobicContact CB-CD 4.32Å; D996-K999 HydrophobicContact CB-CG 4.24Å; D996-K999 PolarHBondContact O-N 3.46Å; D996-K999 PolarHBondContact OD1-N 3.39Å; D996-K999 WeakPolarHBondContact OD2-CG 3.4Å; D996-K999 IonicContact OD2-NZ 3.99Å; D996-K999 PolarHBondContact OD2-NZ 3.15Å; D996-F1000 PolarHBondContact O-N 3.49Å
997	P	97	Very high	97.5	Very high	41 Å²	41	51.5 Å²	51.5	27%	0.266	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	179.9	-24.9	33.4	0	0	0	114.6	L920 L925 A991 S994	L920-P997 WeakPolarHBondContact CB-O 3.44Å; L925-P997 HydrophobicContact CD2-CB 4.11Å; A991-P997 WeakPolarHBondContact O-CB 3.08Å; A991-P997 WeakPolarHBondContact O-CG 3.36Å; S994-P997 WeakPolarHBondContact OG-CA 3.23Å
998	T	97.4	Very high	97.1	Very high	60 Å²	60	56.2 Å²	56.2	37%	0.368	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-25.8	174.9	75.9	0	0	0	0	112.4	G921 D996	G921-T998 WeakPolarHBondContact CA-O 3.4Å; G921-T998 PolarHBondContact N-O 3.35Å; D996-T998 PolarHBondContact O-N 3.34Å; D996-T998 WeakPolarHBondContact OD1-CA 3.35Å; D996-T998 VanDerWaalsContact OD1-CB 3.31Å; D996-T998 WeakPolarHBondContact OD1-CB 3.47Å; D996-T998 PolarHBondContact OD1-N 3.31Å; D996-T998 PolarHBondContact OD1-OG1 2.99Å; D996-T998 PolarHBondContact OD2-OG1 2.84Å
999	K	97.9	Very high	96.2	Very high	148 Å²	148	62.3 Å²	62.3	64%	0.643	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.2	176	-64.4	-174.6	-177.1	91.4	0	113.1	D996 V1001	D996-K999 HydrophobicContact CB-CB 4.21Å; D996-K999 HydrophobicContact CB-CD 4.32Å; D996-K999 HydrophobicContact CB-CG 4.24Å; D996-K999 PolarHBondContact O-N 3.46Å; D996-K999 PolarHBondContact OD1-N 3.39Å; D996-K999 WeakPolarHBondContact OD2-CG 3.4Å; D996-K999 IonicContact OD2-NZ 3.99Å; D996-K999 PolarHBondContact OD2-NZ 3.15Å; K999-V1001 PolarHBondContact O-N 3.19Å
1000	F	98.3	Very high	94.8	Very high	39 Å²	39	67.2 Å²	67.2	17%	0.171	36%	0.359	C	S	.	.			trans	-54.5	123.4	175.6	180	-97.4	0	0	0	111.6	P919 L920 E987 N990 A991 D996 S1002	P919-F1000 WeakPolarHBondContact CA-O 3.3Å; L920-F1000 HydrophobicContact CD1-CB 4.3Å; L920-F1000 HydrophobicContact CD1-CD1 3.79Å; L920-F1000 HydrophobicContact CD1-CG 4.48Å; L920-F1000 HydrophobicContact CG-CD1 4.13Å; L920-F1000 PolarHBondContact N-O 3.44Å; E987-F1000 HydrophobicContact CG-CE1 4.29Å; N990-F1000 HydrophobicContact CB-CE2 3.77Å; N990-F1000 HydrophobicContact CB-CZ 3.65Å; A991-F1000 HydrophobicContact CB-CB 4.43Å; A991-F1000 HydrophobicContact CB-CD1 3.7Å; A991-F1000 HydrophobicContact CB-CE1 4.04Å; A991-F1000 HydrophobicContact CB-CG 3.96Å; D996-F1000 PolarHBondContact O-N 3.49Å; F1000-S1002 PolarHBondContact O-N 3.08Å
1001	V	98.1	Very high	93.4	Very high	76 Å²	76	70.5 Å²	70.5	46%	0.461	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	97.1	-179.2	179.7	0	0	0	0	109.1	K999	K999-V1001 PolarHBondContact O-N 3.19Å
1002	S	98.1	Very high	92	Very high	13 Å²	13	78.3 Å²	78.3	9%	0.091	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	143.3	179.5	178	0	0	0	0	111.5	G917 K918 L920 E987 F1000 F1004	G917-S1002 CarbonylContact C-O 3.57Å; G917-S1002 WeakPolarHBondContact CA-O 3.41Å; K918-S1002 PolarHBondContact N-O 2.93Å; K918-S1002 PolarHBondContact O-N 2.87Å; L920-S1002 VanDerWaalsContact CD2-CB 3.41Å; E987-S1002 VanDerWaalsContact OE1-CA 3.23Å; E987-S1002 WeakPolarHBondContact OE1-CA 3.08Å; E987-S1002 VanDerWaalsContact OE1-CB 3.31Å; E987-S1002 WeakPolarHBondContact OE1-CB 3.46Å; E987-S1002 PolarHBondContact OE1-OG 2.86Å; F1000-S1002 PolarHBondContact O-N 3.08Å; S1002-F1004 PolarHBondContact OG-N 2.96Å
1003	H	97.8	Very high	90.5	Very high	31 Å²	31	82.6 Å²	82.6	14%	0.144	41%	0.413	C	S	.	.			trans	-112.2	-6.4	175.2	-69.1	-105.9	0	0	0	112.5	R794 V913 F914 A915 G917 E987 P1005	R794-H1003 VanDerWaalsContact CZ-CE1 3.46Å; R794-H1003 PolarHBondContact NH1-CE1 3.3Å; R794-H1003 VanDerWaalsContact NH1-CE1 3.33Å; R794-H1003 PolarHBondContact NH2-CD2 3.33Å; R794-H1003 PolarHBondContact NH2-NE2 3Å; V913-H1003 HydrophobicContact CB-CB 4.23Å; V913-H1003 HydrophobicContact CG2-CB 4.24Å; F914-H1003 PolarHBondContact N-O 2.91Å; F914-H1003 PolarHBondContact O-ND1 2.75Å; A915-H1003 PolarHBondContact O-CE1 3.06Å; A915-H1003 PolarHBondContact O-ND1 2.83Å; G917-H1003 PolarHBondContact N-CE1 3.27Å; G917-H1003 VanDerWaalsContact N-CE1 3.29Å; G917-H1003 PolarHBondContact N-ND1 3.37Å; E987-H1003 PolarHBondContact OE1-N 3.47Å; H1003-P1005 WeakPolarHBondContact O-CD 3.4Å
1004	F	97.9	Very high	88.7	Confident	17 Å²	17	84.5 Å²	84.5	8%	0.075	43%	0.425	C	S	.	.			trans	-74.4	125.4	-170	-165.7	-82.2	0	0	0	113.7	V913 L928 H931 A983 C984 E987 S1002 V1006	V913-F1004 HydrophobicContact CG1-CD2 4.45Å; L928-F1004 HydrophobicContact CD2-CB 4.16Å; L928-F1004 HydrophobicContact CD2-CD1 4.17Å; L928-F1004 HydrophobicContact CD2-CG 4.42Å; H931-F1004 AromaticContact CD2-CE1 3.58Å; H931-F1004 AromaticContact NE2-CE1 3.75Å; A983-F1004 HydrophobicContact CB-CE2 3.69Å; A983-F1004 HydrophobicContact CB-CZ 4.5Å; C984-F1004 HydrophobicContact CB-CE1 4.1Å; C984-F1004 HydrophobicContact CB-CE2 4.1Å; C984-F1004 HydrophobicContact CB-CZ 3.74Å; E987-F1004 HydrophobicContact CB-CB 4.17Å; E987-F1004 HydrophobicContact CB-CD2 4.3Å; E987-F1004 HydrophobicContact CB-CG 4.39Å; E987-F1004 HydrophobicContact CG-CB 3.67Å; E987-F1004 HydrophobicContact CG-CG 4.4Å; E987-F1004 WeakPolarHBondContact OE1-CB 3.26Å; E987-F1004 PolarHBondContact OE1-N 2.86Å; E987-F1004 VanDerWaalsContact OE1-N 3.13Å; S1002-F1004 PolarHBondContact OG-N 2.96Å; F1004-V1006 PolarHBondContact O-N 3.28Å
1005	P	97.1	Very high	86.9	Confident	11 Å²	11	90.7 Å²	90.7	7%	0.071	45%	0.448	C	S	.	.			trans	-70.8	113.2	178.1	-20.1	33.5	0	0	0	114.1	W793 F914 H1003 H1007	W793-P1005 HydrophobicContact CZ3-CG 4.17Å; F914-P1005 HydrophobicContact CD2-CB 4.43Å; F914-P1005 HydrophobicContact CD2-CG 4.04Å; F914-P1005 HydrophobicContact CE1-CG 4.42Å; F914-P1005 HydrophobicContact CE2-CB 3.75Å; F914-P1005 HydrophobicContact CE2-CG 3.83Å; F914-P1005 HydrophobicContact CG-CG 4.45Å; F914-P1005 HydrophobicContact CZ-CB 3.9Å; F914-P1005 HydrophobicContact CZ-CG 4.03Å; H1003-P1005 WeakPolarHBondContact O-CD 3.4Å; P1005-H1007 PolarHBondContact O-N 3.25Å
1006	V	95.9	Very high	85.5	Confident	56 Å²	56	89.1 Å²	89.1	34%	0.339	43%	0.426	S	S	.	.			trans	-85.6	106.2	175.5	172.5	0	0	0	0	111.8	L928 H931 F1004	L928-V1006 HydrophobicContact CD2-CG2 3.92Å; H931-V1006 HydrophobicContact CB-CG1 4.08Å; H931-V1006 HydrophobicContact CB-CG2 4.39Å; F1004-V1006 PolarHBondContact O-N 3.28Å
1007	H	93.4	Very high	84.1	Confident	76 Å²	76	90.5 Å²	90.5	35%	0.352	44%	0.437	S	S	.	.			trans	-78.8	136.1	-179	-49.4	123.1	0	0	0	114.2	H931 Q980 P1005	H931-H1007 AromaticContact CE1-CG 3.81Å; H931-H1007 PolarHBondContact CE1-N 3.21Å; H931-H1007 AromaticContact CE1-ND1 3.51Å; H931-H1007 PolarHBondContact ND1-N 3.37Å; H931-H1007 AromaticContact NE2-ND1 3.74Å; Q980-H1007 PolarHBondContact OE1-CE1 3.15Å; P1005-H1007 PolarHBondContact O-N 3.25Å
1008	Q	89	Confident	82.7	Confident	121 Å²	121	95.1 Å²	95.1	57%	0.565	45%	0.453	S	S	*	.			trans	-121.7	108.5	172.6	-70.4	-61.1	-34.2	0	0	111.7	W927	W927-Q1008 VanDerWaalsContact CZ3-NE2 3.29Å
1009	V	79.7	Confident	81.2	Confident	128 Å²	128	99.7 Å²	99.7	78%	0.776	47%	0.468	S	S	*	.			trans	-112.4	115.2	-169.1	-175.4	0	0	0	0	113.3	R1011	V1009-R1011 PolarHBondContact O-N 3.2Å
1010	L	71	Confident	80	Confident	104 Å²	104	98.3 Å²	98.3	55%	0.545	47%	0.466	S	S	.	.			trans	-71.8	98.6	177.2	-77.1	171	0	0	0	112.8	K1012 K1013	L1010-K1012 PolarHBondContact O-N 3.39Å; L1010-K1013 PolarHBondContact O-N 3.25Å
1011	R	68.9	Low	78.4	Confident	153 Å²	153	99.9 Å²	99.9	58%	0.577	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	124.7	172.5	-78.4	-172	173.9	160.4	5.4	112.5	K940 V1009 K1013	K940-R1011 PolarHBondContact O-NH1 3.16Å; K940-R1011 PolarHBondContact O-NH2 3.25Å; V1009-R1011 PolarHBondContact O-N 3.2Å; R1011-K1013 VanDerWaalsContact C-N 3.34Å; R1011-K1013 PolarHBondContact O-N 3.46Å
1012	K	67.9	Low	76.9	Confident	165 Å²	165	98.3 Å²	98.3	72%	0.717	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	43.4	176.6	-60.5	175	178	170.9	0	112.9	L1010 K1014 K1015 K1016	L1010-K1012 PolarHBondContact O-N 3.39Å; K1012-K1014 VanDerWaalsContact C-N 3.28Å; K1012-K1014 PolarHBondContact O-N 3.13Å; K1012-K1014 VanDerWaalsContact O-N 3.08Å; K1012-K1015 HydrophobicContact CB-CB 4.24Å; K1012-K1015 WeakPolarHBondContact O-CA 3.19Å; K1012-K1015 PolarHBondContact O-N 3.03Å; K1012-K1016 PolarHBondContact O-N 2.88Å; K1012-K1016 VanDerWaalsContact O-N 3.15Å
1013	K	66.2	Low	75.2	Confident	148 Å²	148	107.3 Å²	107.3	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-37	-52.3	178.8	-169.6	172.5	-178.8	175.7	0	113.3	L1010 R1011 K1015 K1016 T1017	L1010-K1013 PolarHBondContact O-N 3.25Å; R1011-K1013 VanDerWaalsContact C-N 3.34Å; R1011-K1013 PolarHBondContact O-N 3.46Å; K1013-K1015 PolarHBondContact O-N 3.35Å; K1013-K1016 WeakPolarHBondContact O-CA 3.48Å; K1013-K1016 WeakPolarHBondContact O-CB 3.2Å; K1013-K1016 PolarHBondContact O-N 3.05Å; K1013-T1017 PolarHBondContact O-N 2.92Å; K1013-T1017 PolarHBondContact O-OG1 2.88Å
1014	K	59.8	Low	73.1	Confident	171 Å²	171	111.8 Å²	111.8	74%	0.743	52%	0.524	S	S	*	.	H	α-helix	trans	-52.8	-43.5	175	-70.9	-172.3	176.3	-176	0	114.7	K1012 T1017 F1018	K1012-K1014 VanDerWaalsContact C-N 3.28Å; K1012-K1014 PolarHBondContact O-N 3.13Å; K1012-K1014 VanDerWaalsContact O-N 3.08Å; K1014-T1017 PolarHBondContact O-N 3.44Å; K1014-F1018 WeakPolarHBondContact O-CB 3.25Å; K1014-F1018 PolarHBondContact O-N 2.75Å
1015	K	60.2	Low	71	Confident	155 Å²	155	113.3 Å²	113.3	67%	0.674	54%	0.536	S	S	*	.	H	α-helix	trans	-73.8	-26.6	177.8	-64	-154.6	178.6	-160.8	0	112.5	K1012 K1013 K1019	K1012-K1015 HydrophobicContact CB-CB 4.24Å; K1012-K1015 WeakPolarHBondContact O-CA 3.19Å; K1012-K1015 PolarHBondContact O-N 3.03Å; K1013-K1015 PolarHBondContact O-N 3.35Å; K1015-K1019 PolarHBondContact O-N 3.28Å; K1015-K1019 VanDerWaalsContact O-N 3.12Å
1016	K	66.4	Low	68.7	Low	113 Å²	113	117.7 Å²	117.7	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-67.2	-50.1	167.8	-71.3	-166.2	175.4	-168	0	110.4	K1012 K1013 F1018 K1019 I1020	K1012-K1016 PolarHBondContact O-N 2.88Å; K1012-K1016 VanDerWaalsContact O-N 3.15Å; K1013-K1016 WeakPolarHBondContact O-CA 3.48Å; K1013-K1016 WeakPolarHBondContact O-CB 3.2Å; K1013-K1016 PolarHBondContact O-N 3.05Å; K1016-F1018 VanDerWaalsContact C-N 3.34Å; K1016-F1018 PolarHBondContact O-N 3.45Å; K1016-K1019 PolarHBondContact O-N 3.09Å; K1016-K1019 VanDerWaalsContact O-N 3.16Å; K1016-I1020 WeakPolarHBondContact O-CG1 3.37Å; K1016-I1020 PolarHBondContact O-N 3.29Å
1017	T	68	Low	66.5	Low	75 Å²	75	124.5 Å²	124.5	46%	0.46	58%	0.579	S	S	.	*	H	α-helix	trans	-53.5	-49.5	175	-51	0	0	0	0	111.4	K1013 K1014 K1019 I1020 T1021	K1013-T1017 PolarHBondContact O-N 2.92Å; K1013-T1017 PolarHBondContact O-OG1 2.88Å; K1014-T1017 PolarHBondContact O-N 3.44Å; T1017-K1019 PolarHBondContact O-N 3.1Å; T1017-I1020 WeakPolarHBondContact O-CB 3.46Å; T1017-I1020 PolarHBondContact O-N 3.31Å; T1017-T1021 PolarHBondContact O-N 3.08Å; T1017-T1021 PolarHBondContact O-OG1 2.8Å
1018	F	68.2	Low	64.4	Low	138 Å²	138	124.5 Å²	124.5	61%	0.605	59%	0.586	S	S	*	*	H	α-helix	trans	-60.2	-40.5	178.1	-171	-96.8	0	0	0	113.4	K1014 K1016 I1020 T1021 C1022	K1014-F1018 WeakPolarHBondContact O-CB 3.25Å; K1014-F1018 PolarHBondContact O-N 2.75Å; K1016-F1018 VanDerWaalsContact C-N 3.34Å; K1016-F1018 PolarHBondContact O-N 3.45Å; F1018-I1020 VanDerWaalsContact C-N 3.3Å; F1018-I1020 PolarHBondContact O-N 2.68Å; F1018-T1021 WeakPolarHBondContact CA-OG1 3.43Å; F1018-T1021 PolarHBondContact O-N 2.94Å; F1018-T1021 PolarHBondContact O-OG1 3.38Å; F1018-T1021 VanDerWaalsContact O-OG1 3.05Å; F1018-C1022 VanDerWaalsContact CE1-SG 3.51Å; F1018-C1022 WeakPolarHBondContact O-CB 3.37Å; F1018-C1022 PolarHBondContact O-N 2.99Å; F1018-C1022 PolarHBondContact O-SG 3.38Å
1019	K	65.2	Low	62.5	Low	156 Å²	156	125.4 Å²	125.4	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-65.9	-30.6	173.8	-83.1	-164.5	171.2	-165	0	113.1	K1015 K1016 T1017 R1023	K1015-K1019 PolarHBondContact O-N 3.28Å; K1015-K1019 VanDerWaalsContact O-N 3.12Å; K1016-K1019 PolarHBondContact O-N 3.09Å; K1016-K1019 VanDerWaalsContact O-N 3.16Å; T1017-K1019 PolarHBondContact O-N 3.1Å; K1019-R1023 WeakPolarHBondContact O-CB 3.45Å; K1019-R1023 WeakPolarHBondContact O-CG 3.47Å; K1019-R1023 PolarHBondContact O-N 3.21Å
1020	I	72.9	Confident	61	Low	118 Å²	118	128.4 Å²	128.4	61%	0.605	60%	0.597	S	S	*	*	H	α-helix	trans	-73.5	-48.7	176.2	-66.2	162.4	0	0	0	109.7	K1016 T1017 F1018 C1022 R1023 H1024	K1016-I1020 WeakPolarHBondContact O-CG1 3.37Å; K1016-I1020 PolarHBondContact O-N 3.29Å; T1017-I1020 WeakPolarHBondContact O-CB 3.46Å; T1017-I1020 PolarHBondContact O-N 3.31Å; F1018-I1020 VanDerWaalsContact C-N 3.3Å; F1018-I1020 PolarHBondContact O-N 2.68Å; I1020-C1022 PolarHBondContact O-N 3.21Å; I1020-R1023 PolarHBondContact O-N 2.93Å; I1020-R1023 VanDerWaalsContact O-N 3.13Å; I1020-H1024 PolarHBondContact O-N 2.93Å
1021	T	65.1	Low	59.3	Low	72 Å²	72	129.1 Å²	129.1	44%	0.442	63%	0.63	S	S	.	*	H	α-helix	trans	-61.9	-42.2	178.7	55.3	0	0	0	0	112	T1017 F1018 R1023 H1024 S1025	T1017-T1021 PolarHBondContact O-N 3.08Å; T1017-T1021 PolarHBondContact O-OG1 2.8Å; F1018-T1021 WeakPolarHBondContact CA-OG1 3.43Å; F1018-T1021 PolarHBondContact O-N 2.94Å; F1018-T1021 PolarHBondContact O-OG1 3.38Å; F1018-T1021 VanDerWaalsContact O-OG1 3.05Å; T1021-R1023 VanDerWaalsContact C-N 3.3Å; T1021-R1023 PolarHBondContact O-N 3.16Å; T1021-H1024 PolarHBondContact O-N 3.43Å; T1021-H1024 VanDerWaalsContact O-N 3.13Å; T1021-S1025 PolarHBondContact O-N 3.07Å; T1021-S1025 PolarHBondContact O-OG 2.57Å
1022	C	65.3	Low	58.8	Low	44 Å²	44	128 Å²	128	30%	0.297	63%	0.633	S	S	.	*	H	α-helix	trans	-67.1	-28.8	176.1	-62.2	0	0	0	0	113.2	F1018 I1020 S1025 N1026	F1018-C1022 VanDerWaalsContact CE1-SG 3.51Å; F1018-C1022 WeakPolarHBondContact O-CB 3.37Å; F1018-C1022 PolarHBondContact O-N 2.99Å; F1018-C1022 PolarHBondContact O-SG 3.38Å; I1020-C1022 PolarHBondContact O-N 3.21Å; C1022-S1025 WeakPolarHBondContact CA-OG 3.45Å; C1022-S1025 PolarHBondContact O-OG 3.27Å; C1022-S1025 VanDerWaalsContact O-OG 3.09Å; C1022-N1026 VanDerWaalsContact O-CB 3.29Å; C1022-N1026 WeakPolarHBondContact O-CB 3.48Å; C1022-N1026 PolarHBondContact O-N 2.83Å; C1022-N1026 VanDerWaalsContact O-N 3.15Å; C1022-N1026 PolarHBondContact O-OD1 2.97Å; C1022-N1026 VanDerWaalsContact O-OD1 3.11Å
1023	R	63.2	Low	58.3	Low	201 Å²	201	126 Å²	126	76%	0.758	63%	0.628	S	S	*	*	H	α-helix	trans	-75.2	-27.6	172.3	-82.8	-179.3	167	-165.7	-5.6	112.6	K1019 I1020 T1021 R1027	K1019-R1023 WeakPolarHBondContact O-CB 3.45Å; K1019-R1023 WeakPolarHBondContact O-CG 3.47Å; K1019-R1023 PolarHBondContact O-N 3.21Å; I1020-R1023 PolarHBondContact O-N 2.93Å; I1020-R1023 VanDerWaalsContact O-N 3.13Å; T1021-R1023 VanDerWaalsContact C-N 3.3Å; T1021-R1023 PolarHBondContact O-N 3.16Å; R1023-R1027 PolarHBondContact O-N 2.97Å
1024	H	53.9	Low	57.9	Low	126 Å²	126	124.8 Å²	124.8	58%	0.583	63%	0.627	S	S	*	*	H	α-helix	trans	-76.4	-47.7	174.4	-171.2	60	0	0	0	111	I1020 T1021 N1026 R1027 C1028	I1020-H1024 PolarHBondContact O-N 2.93Å; T1021-H1024 PolarHBondContact O-N 3.43Å; T1021-H1024 VanDerWaalsContact O-N 3.13Å; H1024-N1026 VanDerWaalsContact C-N 3.3Å; H1024-N1026 PolarHBondContact O-N 2.76Å; H1024-R1027 WeakPolarHBondContact O-CA 3.41Å; H1024-R1027 WeakPolarHBondContact O-CB 3.33Å; H1024-R1027 PolarHBondContact O-N 3Å; H1024-C1028 PolarHBondContact O-N 3.07Å; H1024-C1028 PolarHBondContact O-SG 2.7Å; H1024-C1028 VanDerWaalsContact O-SG 3.34Å
1025	S	53.1	Low	57.8	Low	48 Å²	48	122.1 Å²	122.1	34%	0.336	62%	0.621	S	S	.	*	H	α-helix	trans	-57.6	-41.7	174	60.6	0	0	0	0	112	T1021 C1022 R1027 C1028 L1029	T1021-S1025 PolarHBondContact O-N 3.07Å; T1021-S1025 PolarHBondContact O-OG 2.57Å; C1022-S1025 WeakPolarHBondContact CA-OG 3.45Å; C1022-S1025 PolarHBondContact O-OG 3.27Å; C1022-S1025 VanDerWaalsContact O-OG 3.09Å; S1025-R1027 PolarHBondContact O-N 3.17Å; S1025-C1028 CarbonylContact O-C 3.6Å; S1025-C1028 PolarHBondContact O-N 3.45Å; S1025-L1029 WeakPolarHBondContact O-CB 3.23Å; S1025-L1029 WeakPolarHBondContact O-CG 3.32Å; S1025-L1029 PolarHBondContact O-N 3.29Å
1026	N	49.7	Very low	57.6	Low	104 Å²	104	120 Å²	120	56%	0.556	62%	0.617	S	S	*	*	H	α-helix	trans	-74.5	-1.3	177.4	-67.9	24.8	0	0	0	114.1	C1022 H1024	C1022-N1026 VanDerWaalsContact O-CB 3.29Å; C1022-N1026 WeakPolarHBondContact O-CB 3.48Å; C1022-N1026 PolarHBondContact O-N 2.83Å; C1022-N1026 VanDerWaalsContact O-N 3.15Å; C1022-N1026 PolarHBondContact O-OD1 2.97Å; C1022-N1026 VanDerWaalsContact O-OD1 3.11Å; H1024-N1026 VanDerWaalsContact C-N 3.3Å; H1024-N1026 PolarHBondContact O-N 2.76Å
1027	R	50.3	Low	57.1	Low	198 Å²	198	120.5 Å²	120.5	75%	0.747	63%	0.626	S	S	*	*	H	α-helix	trans	-96.2	-43.2	163.9	-78.6	-177.5	171.6	-168.7	-4.1	111.1	R1023 H1024 S1025 L1029 K1030 G1031	R1023-R1027 PolarHBondContact O-N 2.97Å; H1024-R1027 WeakPolarHBondContact O-CA 3.41Å; H1024-R1027 WeakPolarHBondContact O-CB 3.33Å; H1024-R1027 PolarHBondContact O-N 3Å; S1025-R1027 PolarHBondContact O-N 3.17Å; R1027-L1029 PolarHBondContact O-N 3.46Å; R1027-K1030 PolarHBondContact O-N 3.4Å; R1027-G1031 PolarHBondContact O-N 3.1Å
1028	C	49	Very low	56.3	Low	76 Å²	76	123.7 Å²	123.7	51%	0.514	64%	0.637	S	S	.	*	H	α-helix	trans	-73.8	1.2	175.7	-49.5	0	0	0	0	114.4	H1024 S1025	H1024-C1028 PolarHBondContact O-N 3.07Å; H1024-C1028 PolarHBondContact O-SG 2.7Å; H1024-C1028 VanDerWaalsContact O-SG 3.34Å; S1025-C1028 CarbonylContact O-C 3.6Å; S1025-C1028 PolarHBondContact O-N 3.45Å
1029	L	48.3	Very low	55.4	Low	141 Å²	141	122.6 Å²	122.6	74%	0.738	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	12.5	167.8	-71.1	167.6	0	0	0	111.6	S1025 R1027	S1025-L1029 WeakPolarHBondContact O-CB 3.23Å; S1025-L1029 WeakPolarHBondContact O-CG 3.32Å; S1025-L1029 PolarHBondContact O-N 3.29Å; R1027-L1029 PolarHBondContact O-N 3.46Å
1030	K	47.7	Very low	54.5	Low	190 Å²	190	119.8 Å²	119.8	83%	0.826	64%	0.637	S	S	*	*			trans	-134.1	0.8	-176.7	-83.2	-158.9	168.1	-147.2	0	114.2	R1027	R1027-K1030 PolarHBondContact O-N 3.4Å
1031	G	35.9	Very low	52.9	Low	120 Å²	120	120 Å²	120	100%	1.237	64%	0.64	S	S	*	*			trans	-141	0	163.8	0	0	0	0	0	107.4	R1027	R1027-G1031 PolarHBondContact O-N 3.1Å

Retrieved 1,031 of 1,031 residues in 272.4 ms (Link to these results)

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