A0A077ZCP3_TRITR Loading...

CBM 14 and Glyco hydro 18 domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZCP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 986 aa.

						>A0A077ZCP3_TRITR|A0A077ZCP3
MKFLSFVEILKGQVFEWDFDLFQVSAAARTSDRHSEKHQSKDNFVRGCYMVNWAQYRPYNGSYFAKDYETGLCTHVFLAFATLSDKYEVTTSEWNDIGSFYDVMKEFKRQDPNLKVLLSLGGWSFGTKKFKKVASSSKLKNSFVASLMRFLRKHSFDGFDLDWEYPDTESDRRAMAIAERIHWEKTRGRRPQLILTAAVAASQDKIEKGYDVPALARYVDFVNVMTYDFHGSWEKRTGINSPLFAGNHRSYSEATMSTSSAVNFWVAKGMPREKIIVGLPTYGRGWTLLNPSDFSVGSKAIDASLPLNYTRAPGVIAFYESCELLKQGAKSFRDKETGSVILVRENQWFSYDDTESFTQKLRWIKENHFGGAFVWSLDTDDFKGIFCPQYKGMTYPLVRTMSAILSNKENGLGVSERRVFLRSTHPSPVKVLPDSFSCPDDGLFANPLDDHSFYNCSNRIPVKKYCENGTSFSSENKICSQPSQPTLRPFLKPQNWSMVSSTAFGVLEMAVFFVCLSYAENIFLCPSDGIFPDPATCDSFYSCAFDRAYLMTCSAGTLFNPEIGTCDHAYNVSCLATASGAVYLKKTDVAILDVTNRSWLYFQCEPFSAEEEKKNVFIRGCYFTNWSQYRPESGKYLPENYEDGLCDYIFFAFAWMKDTFEITNFEWNDIDTLYKGIAKLKSRDSNLKTLLSIGGWTFGTRKFKTMAFNSENRQTFIKSVIEYLRRHEFDGLDIDWEYPENEEDKRNMVKLFQEVRDSFIREKRDHGKSRLLLTAAVSASQSKIDTVYDVPNLAKLLDFINLMSYDFYGSWDLQTGTNSPLFSQLCDSSSSSPSTMAGAAAHWNARGMPKKKIIIGLPTYGRGWRLKNASTKNLGSPANGPSQSLKYTRESGIASYYECCEMLANGAEQYWNNETRTPYLVKDDQWFSYDNEESFTHKIDWIIREGYGGAFVWSLDMDDFGGTFCANKSDNKKYPLTRLLKALNNV
					

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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	39.7	Very low	35.1	Very low	238 Å²	238	156.5 Å²	156.5	100%	1.172	77%	0.766	S	S	*	*				0	92.4	0	-86.6	169.2	164.1	0	0	107.3
2	K	35.5	Very low	34.6	Very low	189 Å²	189	149.9 Å²	149.9	82%	0.822	77%	0.769	S	S	*	*				76.3	99.4	104.4	-84.8	-166.6	177.8	-176.6	0	112.4
3	F	33.7	Very low	34.4	Very low	178 Å²	178	152.2 Å²	152.2	78%	0.781	77%	0.774	S	S	*	*				91.5	114.3	82.6	-102.1	-115.4	0	0	0	109.3
4	L	35.3	Very low	34.1	Very low	132 Å²	132	150.9 Å²	150.9	69%	0.691	78%	0.777	S	S	*	*				88.7	135.9	73.7	-89.8	165.1	0	0	0	114.3
5	S	36.3	Very low	33.8	Very low	88 Å²	88	153.1 Å²	153.1	62%	0.615	78%	0.779	S	S	*	*			trans	73.5	130	140.4	69.6	0	0	0	0	121.8
6	F	35.7	Very low	33.3	Very low	188 Å²	188	154.2 Å²	154.2	83%	0.825	78%	0.78	S	S	*	*				-179.5	113	115.8	-117.6	-103.7	0	0	0	108.5
7	V	35.9	Very low	33.1	Very low	100 Å²	100	158.1 Å²	158.1	61%	0.606	78%	0.783	S	S	*	*				64.3	101.3	74.5	-179.8	0	0	0	0	111.1
8	E	32.1	Very low	33	Very low	167 Å²	167	157.1 Å²	157.1	78%	0.78	78%	0.781	S	S	*	*				93.3	147.5	74.3	-148.6	-169.5	-154.7	0	0	113.6
9	I	32.7	Very low	32.9	Very low	126 Å²	126	158.9 Å²	158.9	65%	0.646	78%	0.784	S	S	*	*			trans	84.3	117.3	154.9	-27.5	177.8	0	0	0	120.1
10	L	34.3	Very low	33	Very low	131 Å²	131	158 Å²	158	69%	0.686	78%	0.783	S	S	*	*				154.9	120.1	112.9	-76.9	170.9	0	0	0	115.6
11	K	34.9	Very low	32.9	Very low	185 Å²	185	157.1 Å²	157.1	80%	0.804	78%	0.78	S	S	*	*			trans	72	102.7	134	-65.3	174.1	173.1	170	0	121.6
12	G	29.6	Very low	32.5	Very low	77 Å²	77	155.6 Å²	155.6	79%	0.794	77%	0.768	S	S	*	*				75.2	106.7	108.1	0	0	0	0	0	119.9
13	Q	31.3	Very low	32.2	Very low	179 Å²	179	154.9 Å²	154.9	84%	0.836	77%	0.767	S	S	*	*			trans	-154	127.8	142.9	-112.2	176.3	-6.9	0	0	110.5
14	V	29.8	Very low	32.1	Very low	134 Å²	134	152.5 Å²	152.5	81%	0.812	77%	0.767	S	S	*	*			trans	-82	131.1	173	172	0	0	0	0	107.7
15	F	29.9	Very low	31.8	Very low	184 Å²	184	151.6 Å²	151.6	81%	0.807	77%	0.771	S	S	*	*			trans	-137.7	114.2	160.1	-96.4	-83.2	0	0	0	108.6
16	E	25.6	Very low	31.7	Very low	171 Å²	171	151.9 Å²	151.9	80%	0.799	78%	0.779	S	S	*	*			trans	-133.5	105.1	170.2	-168.9	177.6	-136	0	0	104
17	W	30.8	Very low	31.4	Very low	221 Å²	221	147.8 Å²	147.8	84%	0.837	78%	0.78	S	S	*	*			trans	-157.6	114.5	164.2	-79.3	103.7	0	0	0	110.5
18	D	31.7	Very low	31.1	Very low	139 Å²	139	148 Å²	148	74%	0.743	79%	0.792	S	S	*	*			trans	66.5	130.7	136.8	-76.2	-14.9	0	0	0	125.6
19	F	29.8	Very low	31	Very low	192 Å²	192	151.2 Å²	151.2	84%	0.842	80%	0.797	S	S	*	*			trans	-58.7	134.4	159.5	-83.4	-109.2	0	0	0	111.6
20	D	35	Very low	31	Very low	141 Å²	141	151.8 Å²	151.8	75%	0.754	81%	0.807	S	S	*	*				-179.5	142.3	122.1	-100.7	-25.7	0	0	0	113
21	L	30.8	Very low	30.7	Very low	140 Å²	140	150.6 Å²	150.6	73%	0.733	81%	0.809	S	S	*	*			trans	56.4	103.8	149.1	-66.6	159.2	0	0	0	119.7
22	F	31	Very low	30.5	Very low	206 Å²	206	149.5 Å²	149.5	90%	0.904	81%	0.812	S	S	*	*			trans	-125.2	97.5	142.7	-101.4	-86.5	0	0	0	110.1	V24	F22-V24 HydrophobicContact CD1-CG2 4.23Å
23	Q	29.6	Very low	30.4	Very low	174 Å²	174	157.1 Å²	157.1	81%	0.813	82%	0.817	S	S	*	*			trans	-74.5	126.7	151.2	-83.8	-173.2	-28.7	0	0	108.2
24	V	32.9	Very low	30.6	Very low	128 Å²	128	157 Å²	157	78%	0.776	82%	0.816	S	S	*	*			trans	-139.2	102.9	149.4	-176.9	0	0	0	0	107.9	F22	F22-V24 HydrophobicContact CD1-CG2 4.23Å
25	S	28.3	Very low	30.5	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	81%	0.81	S	S	*	*			trans	-93.2	126.2	155.7	50.6	0	0	0	0	107.8
26	A	33.2	Very low	30.3	Very low	94 Å²	94	154.9 Å²	154.9	78%	0.777	81%	0.811	S	S	*	*			trans	-173.5	125	149.8	0	0	0	0	0	110.9
27	A	29.6	Very low	30.5	Very low	102 Å²	102	156.1 Å²	156.1	84%	0.843	81%	0.814	S	S	*	*			trans	-40.4	139.5	171.5	0	0	0	0	0	116.8
28	A	31.3	Very low	30.3	Very low	104 Å²	104	153.5 Å²	153.5	86%	0.86	81%	0.81	S	S	*	*			trans	-141.5	102.7	143.1	0	0	0	0	0	108.9
29	R	29.7	Very low	30.2	Very low	235 Å²	235	155.5 Å²	155.5	89%	0.887	82%	0.815	S	S	*	*			trans	-80.5	125.5	158.3	-73.1	178.9	-175.3	179	1.3	106.8
30	T	32.1	Very low	30.3	Very low	138 Å²	138	149.6 Å²	149.6	85%	0.847	80%	0.798	S	S	*	*				170.9	127.8	130	32.5	0	0	0	0	110
31	S	27.9	Very low	30.6	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	80%	0.802	S	S	*	*			trans	18	112.8	162.9	62.4	0	0	0	0	119.5
32	D	31.4	Very low	31.7	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	79%	0.793	S	S	*	*			trans	-151.2	131.2	134.4	-107.3	-27.4	0	0	0	112.3	H34	D32-H34 PolarHBondContact O-N 3.3Å
33	R	27.5	Very low	34	Very low	237 Å²	237	146.2 Å²	146.2	89%	0.894	78%	0.78	S	S	*	*			trans	-73.4	109.5	176.9	-68.8	174.5	-178.2	-173.4	-0.3	108.7
34	H	34.1	Very low	37.1	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.815	75%	0.749	S	S	*	*			trans	-147.6	102.8	161.7	-93.2	-43.7	0	0	0	113.5	D32	D32-H34 PolarHBondContact O-N 3.3Å
35	S	27.5	Very low	40.1	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	72%	0.718	S	S	*	*			trans	34.8	95.2	150.7	66.9	0	0	0	0	118.8	K37	S35-K37 PolarHBondContact O-N 3.3Å; S35-K37 VanDerWaalsContact O-N 3.09Å
36	E	27	Very low	43.4	Very low	174 Å²	174	130.9 Å²	130.9	81%	0.813	69%	0.687	S	S	*	*			trans	-61.2	103.4	145.8	-75.3	177.8	155.8	0	0	108.3	H38	E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 3.15Å
37	K	29.1	Very low	46.5	Very low	198 Å²	198	126.4 Å²	126.4	86%	0.861	65%	0.65	S	S	*	*			trans	-69.2	94.8	160	-89.6	-177	175.1	179	0	106.9	S35 Q39	S35-K37 PolarHBondContact O-N 3.3Å; S35-K37 VanDerWaalsContact O-N 3.09Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 3.42Å
38	H	27.1	Very low	49.8	Very low	165 Å²	165	121.6 Å²	121.6	76%	0.764	61%	0.61	S	S	*	*			trans	-52.5	100.1	159.1	-87	-61.1	0	0	0	108.6	E36 S40	E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 3.15Å; H38-S40 PolarHBondContact O-N 3.3Å
39	Q	30.5	Very low	53	Low	181 Å²	181	116.7 Å²	116.7	85%	0.846	57%	0.57	S	S	*	*			trans	-66	115.5	159.6	-158.2	166	7.7	0	0	105.1	K37 K41	K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 3.42Å; Q39-K41 PolarHBondContact O-N 3.17Å
40	S	31.2	Very low	56.2	Low	68 Å²	68	105.6 Å²	105.6	48%	0.476	53%	0.528	S	S	.	.			trans	-48.5	117.8	-175.2	57.9	0	0	0	0	109.4	H38 D42 N43	H38-S40 PolarHBondContact O-N 3.3Å; S40-D42 PolarHBondContact O-N 2.89Å; S40-N43 PolarHBondContact OG-ND2 2.63Å
41	K	41.8	Very low	59.2	Low	196 Å²	196	99 Å²	99	85%	0.852	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	1.3	-173.8	-95.5	-177.5	172.5	-178.8	0	115.3	Q39	Q39-K41 PolarHBondContact O-N 3.17Å
42	D	53.6	Low	62.3	Low	99 Å²	99	94.2 Å²	94.2	53%	0.529	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-18.4	-168.4	-57.5	-42.9	0	0	0	114.1	S40 F44 N407	S40-D42 PolarHBondContact O-N 2.89Å; D42-F44 VanDerWaalsContact O-CD2 3.32Å; D42-F44 WeakPolarHBondContact O-CD2 3.45Å; D42-F44 PolarHBondContact O-N 2.99Å; D42-N407 HydrophobicContact CB-CB 4.38Å; D42-N407 WeakPolarHBondContact CB-ND2 3.32Å; D42-N407 PolarHBondContact O-ND2 3.12Å; D42-N407 PolarHBondContact O-OD1 3.15Å
43	N	79.3	Confident	65.1	Low	121 Å²	121	91.2 Å²	91.2	65%	0.647	43%	0.43	S	S	*	.			trans	-77.8	87.1	-170.4	-78.7	-12.6	0	0	0	114.5	S40 N407	S40-N43 PolarHBondContact OG-ND2 2.63Å; N43-N407 WeakPolarHBondContact CA-ND2 3.14Å; N43-N407 PolarHBondContact N-ND2 3.28Å; N43-N407 PolarHBondContact OD1-ND2 3.24Å
44	F	93.9	Very high	68.3	Low	35 Å²	35	79.9 Å²	79.9	15%	0.154	39%	0.387	C	S	.	.			trans	-63.9	138.5	172.4	-67.6	-80.9	0	0	0	112.8	D42 R46 K365 F369 G370 L405	D42-F44 VanDerWaalsContact O-CD2 3.32Å; D42-F44 WeakPolarHBondContact O-CD2 3.45Å; D42-F44 PolarHBondContact O-N 2.99Å; F44-R46 PolarHBondContact O-N 2.86Å; F44-K365 HydrophobicContact CE1-CG 4.11Å; F44-K365 HydrophobicContact CE2-CD 4.42Å; F44-K365 HydrophobicContact CE2-CG 4.06Å; F44-K365 HydrophobicContact CZ-CB 4.11Å; F44-K365 HydrophobicContact CZ-CG 3.71Å; F44-F369 WeakPolarHBondContact CE1-O 3.35Å; F44-G370 WeakPolarHBondContact CA-O 3.31Å; F44-L405 HydrophobicContact CB-CB 3.96Å; F44-L405 HydrophobicContact CB-CD1 4.45Å; F44-L405 HydrophobicContact CB-CD2 4.31Å; F44-L405 HydrophobicContact CB-CG 4.47Å; F44-L405 HydrophobicContact CD1-CD2 4.13Å; F44-L405 HydrophobicContact CD2-CD2 4.35Å; F44-L405 HydrophobicContact CG-CB 4.38Å; F44-L405 HydrophobicContact CG-CD2 4Å
45	V	96.7	Very high	71	Confident	19 Å²	19	72.5 Å²	72.5	12%	0.115	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.2	167.2	176.5	0	0	0	0	109	F221 I276 G370 G371 A372	V45-F221 HydrophobicContact CG1-CE1 4.42Å; V45-F221 HydrophobicContact CG1-CE2 4.32Å; V45-F221 HydrophobicContact CG1-CZ 3.98Å; V45-F221 HydrophobicContact CG2-CD1 4.23Å; V45-F221 HydrophobicContact CG2-CE1 4.01Å; V45-F221 HydrophobicContact CG2-CZ 4.38Å; V45-I276 HydrophobicContact CB-CD1 3.67Å; V45-I276 HydrophobicContact CB-CG1 4.14Å; V45-I276 HydrophobicContact CB-CG2 4.37Å; V45-I276 HydrophobicContact CG1-CD1 4.29Å; V45-I276 HydrophobicContact CG1-CG1 4.21Å; V45-I276 HydrophobicContact CG1-CG2 4.12Å; V45-I276 HydrophobicContact CG2-CD1 3.84Å; V45-I276 HydrophobicContact CG2-CG1 4.45Å; V45-G370 PolarHBondContact N-O 2.86Å; V45-G371 CarbonylContact O-C 3.53Å; V45-G371 VanDerWaalsContact O-CA 3.26Å; V45-G371 WeakPolarHBondContact O-CA 3.24Å; V45-A372 PolarHBondContact O-N 2.93Å
46	R	97.2	Very high	74	Confident	39 Å²	39	73.6 Å²	73.6	15%	0.147	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	95.2	166.2	-62.2	174.7	-71	165.4	16	107.3	F44 C73 T74 H75 A372 M401 S402 L405	F44-R46 PolarHBondContact O-N 2.86Å; R46-C73 CarbonylContact O-C 3.52Å; R46-C73 WeakPolarHBondContact O-CA 3.48Å; R46-T74 HydrophobicContact CB-CG2 4.23Å; R46-T74 PolarHBondContact N-OG1 3.17Å; R46-T74 PolarHBondContact O-N 2.8Å; R46-T74 PolarHBondContact O-OG1 2.93Å; R46-H75 PolarHBondContact O-N 3.17Å; R46-H75 VanDerWaalsContact O-N 3.09Å; R46-A372 WeakPolarHBondContact CA-O 3.48Å; R46-M401 HydrophobicContact CB-CE 4.18Å; R46-M401 HydrophobicContact CG-CG 4.49Å; R46-S402 PolarHBondContact NH1-O 3.34Å; R46-S402 PolarHBondContact NH1-OG 2.9Å; R46-L405 HydrophobicContact CG-CB 3.82Å; R46-L405 HydrophobicContact CG-CD1 4.16Å
47	G	97.8	Very high	77.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	142.9	-175	0	0	0	0	0	112.7	H75 A372 F373 V374	G47-H75 CarbonylContact C-O 3.5Å; G47-H75 WeakPolarHBondContact CA-O 3.19Å; G47-A372 PolarHBondContact N-O 2.92Å; G47-F373 CarbonylContact O-C 3.48Å; G47-F373 WeakPolarHBondContact O-CA 3.5Å; G47-V374 PolarHBondContact O-N 3.01Å
48	C	98.5	Very high	79.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.5	179.6	-64.9	0	0	0	0	110.8	C73 H75 V76 F77 V374 L377	C48-C73 HydrophobicContact CB-CB 3.74Å; C48-C73 WeakPolarHBondContact CB-SG 3.24Å; C48-C73 WeakPolarHBondContact SG-CB 3.22Å; C48-C73 CovalentContact SG-SG 2.01Å; C48-C73 PolarHBondContact SG-SG 2.85Å; C48-H75 PolarHBondContact N-O 3.3Å; C48-V76 HydrophobicContact CB-CG2 4.41Å; C48-V76 CarbonylContact O-C 3.51Å; C48-V76 VanDerWaalsContact O-CA 3.29Å; C48-V76 WeakPolarHBondContact O-CA 3.24Å; C48-F77 PolarHBondContact O-N 3.39Å; C48-V374 HydrophobicContact CB-CG2 4.02Å; C48-L377 HydrophobicContact CB-CD1 3.94Å; C48-L377 HydrophobicContact CB-CD2 3.87Å; C48-L377 HydrophobicContact CB-CG 3.87Å
49	Y	98.5	Very high	82.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.3	170.1	-77.1	-98.8	0	0	0	110.2	F77 A79 D160 N223 F373 V374 W375 L377	Y49-F77 WeakPolarHBondContact CA-O 3.4Å; Y49-F77 HydrophobicContact CD1-CB 3.58Å; Y49-F77 HydrophobicContact CD1-CG 4.36Å; Y49-F77 HydrophobicContact CD2-CB 4.3Å; Y49-F77 AromaticContact CD2-CD2 3.93Å; Y49-F77 HydrophobicContact CD2-CD2 3.93Å; Y49-F77 HydrophobicContact CD2-CG 4.37Å; Y49-F77 HydrophobicContact CE1-CB 3.62Å; Y49-F77 HydrophobicContact CE1-CG 4.09Å; Y49-F77 HydrophobicContact CE2-CB 4.33Å; Y49-F77 AromaticContact CE2-CD2 3.79Å; Y49-F77 HydrophobicContact CE2-CD2 3.79Å; Y49-F77 HydrophobicContact CE2-CE2 4.33Å; Y49-F77 HydrophobicContact CE2-CG 4.1Å; Y49-F77 HydrophobicContact CG-CB 3.95Å; Y49-F77 HydrophobicContact CG-CD2 4.39Å; Y49-F77 AromaticContact CZ-CG 3.96Å; Y49-A79 HydrophobicContact CD1-CB 4.17Å; Y49-D160 PolarHBondContact OH-OD2 3.46Å; Y49-D160 VanDerWaalsContact OH-OD2 3.09Å; Y49-N223 PolarHBondContact OH-ND2 3.4Å; Y49-N223 VanDerWaalsContact OH-ND2 3.16Å; Y49-F373 AromaticContact CD2-CD2 3.57Å; Y49-F373 HydrophobicContact CD2-CD2 3.57Å; Y49-F373 AromaticContact CD2-CE2 3.92Å; Y49-F373 HydrophobicContact CD2-CE2 3.92Å; Y49-F373 AromaticContact CE2-CD2 3.4Å; Y49-F373 HydrophobicContact CE2-CD2 3.4Å; Y49-F373 AromaticContact CE2-CE2 3.56Å; Y49-F373 HydrophobicContact CE2-CE2 3.56Å; Y49-F373 HydrophobicContact CE2-CG 4.19Å; Y49-F373 HydrophobicContact CE2-CZ 4.49Å; Y49-V374 PolarHBondContact N-O 3.43Å; Y49-V374 VanDerWaalsContact N-O 3.09Å; Y49-W375 AromaticContact CD1-CE3 3.79Å; Y49-W375 HydrophobicContact CD1-CE3 3.79Å; Y49-W375 AromaticContact CD1-CZ3 3.61Å; Y49-W375 HydrophobicContact CD1-CZ3 3.61Å; Y49-W375 HydrophobicContact CD2-CE3 4.15Å; Y49-W375 HydrophobicContact CE1-CZ3 4.36Å; Y49-W375 AromaticContact CG-CE3 3.55Å; Y49-W375 HydrophobicContact CG-CE3 3.55Å; Y49-W375 AromaticContact CG-CZ3 3.85Å; Y49-W375 HydrophobicContact CG-CZ3 3.85Å; Y49-L377 PolarHBondContact O-N 2.7Å
50	M	97.6	Very high	85.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.1	175.8	179.8	-179.7	-70.4	0	0	108.3	Y63 A65 Y68 V76 F77 L78 A79 F100 M104 L377	M50-Y63 HydrophobicContact CE-CE1 4.25Å; M50-Y63 HydrophobicContact CG-CE1 3.86Å; M50-Y63 HydrophobicContact SD-CE1 4.36Å; M50-A65 HydrophobicContact CE-CB 4.34Å; M50-A65 HydrophobicContact SD-CB 3.69Å; M50-Y68 HydrophobicContact CE-CD2 4.19Å; M50-Y68 HydrophobicContact CE-CG 4.11Å; M50-V76 HydrophobicContact CB-CG1 4.09Å; M50-V76 HydrophobicContact CE-CG1 4.35Å; M50-F77 PolarHBondContact N-O 3.06Å; M50-L78 HydrophobicContact CB-CD2 3.75Å; M50-L78 HydrophobicContact CG-CD2 3.96Å; M50-L78 HydrophobicContact SD-CD2 3.5Å; M50-L78 WeakPolarHBondContact SD-CD2 3.32Å; M50-A79 PolarHBondContact O-N 3.09Å; M50-F100 HydrophobicContact CG-CD1 4.28Å; M50-F100 HydrophobicContact CG-CE1 4.32Å; M50-F100 HydrophobicContact SD-CD1 3.84Å; M50-F100 HydrophobicContact SD-CE1 4.26Å; M50-M104 HydrophobicContact CE-SD 3.69Å; M50-M104 HydrophobicContact SD-CG 4.38Å; M50-M104 HydrophobicContact SD-SD 4.17Å; M50-L377 HydrophobicContact CB-CD1 4.11Å; M50-L377 HydrophobicContact CE-CD1 3.93Å
51	V	95.8	Very high	88.2	Confident	1 Å²	1	50 Å²	50	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.2	-175.4	-56.6	0	0	0	0	111.4	W53 A54 A79 W375 D378	V51-W53 HydrophobicContact CB-CD2 3.98Å; V51-W53 HydrophobicContact CB-CE3 3.99Å; V51-W53 HydrophobicContact CB-CH2 3.53Å; V51-W53 HydrophobicContact CB-CZ2 3.53Å; V51-W53 HydrophobicContact CB-CZ3 3.76Å; V51-W53 HydrophobicContact CG1-CH2 3.37Å; V51-W53 HydrophobicContact CG1-CZ2 3.48Å; V51-W53 VanDerWaalsContact CG1-CZ2 3.48Å; V51-W53 HydrophobicContact CG1-CZ3 4.02Å; V51-W53 HydrophobicContact CG2-CD2 4.36Å; V51-W53 HydrophobicContact CG2-CZ2 4.06Å; V51-A54 HydrophobicContact CG2-CB 3.58Å; V51-A79 CarbonylContact C-O 3.55Å; V51-A79 VanDerWaalsContact CA-O 3.3Å; V51-A79 WeakPolarHBondContact CA-O 3.37Å; V51-A79 HydrophobicContact CG1-CB 4.17Å; V51-W375 HydrophobicContact CG1-CH2 3.84Å; V51-W375 HydrophobicContact CG1-CZ2 4.17Å; V51-W375 HydrophobicContact CG1-CZ3 4.28Å; V51-D378 HydrophobicContact CG2-CB 4.29Å; V51-D378 VanDerWaalsContact CG2-CG 3.45Å; V51-D378 VanDerWaalsContact CG2-OD1 3.22Å; V51-D378 WeakPolarHBondContact CG2-OD1 3.47Å
52	N	91.7	Very high	90.6	Very high	5 Å²	5	42 Å²	42	3%	0.027	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-79.7	-23.4	-175.5	58.3	8.3	0	0	0	114.3	A54 Q55 A79 F80 S92 E93 D96 F100	N52-A54 VanDerWaalsContact C-N 3.34Å; N52-Q55 WeakPolarHBondContact O-CG 3.4Å; N52-Q55 PolarHBondContact O-NE2 3.34Å; N52-A79 PolarHBondContact N-O 3.49Å; N52-A79 PolarHBondContact OD1-O 2.63Å; N52-F80 PolarHBondContact ND2-O 2.89Å; N52-S92 PolarHBondContact ND2-OG 3.24Å; N52-E93 HydrophobicContact CB-CG 4.15Å; N52-D96 WeakPolarHBondContact CB-OD1 3.35Å; N52-D96 PolarHBondContact ND2-OD1 2.76Å; N52-D96 PolarHBondContact ND2-OD2 2.82Å; N52-F100 HydrophobicContact CB-CD1 4.45Å; N52-F100 HydrophobicContact CB-CD2 4.27Å; N52-F100 HydrophobicContact CB-CE1 4.26Å; N52-F100 HydrophobicContact CB-CE2 4.06Å; N52-F100 HydrophobicContact CB-CG 4.49Å; N52-F100 HydrophobicContact CB-CZ 4.07Å
53	W	91.4	Very high	92.6	Very high	99 Å²	99	37.3 Å²	37.3	38%	0.375	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-79.3	-12.8	178.4	64.1	85.6	0	0	0	113.9	V51 Q55 Y56 F80 W375	V51-W53 HydrophobicContact CB-CD2 3.98Å; V51-W53 HydrophobicContact CB-CE3 3.99Å; V51-W53 HydrophobicContact CB-CH2 3.53Å; V51-W53 HydrophobicContact CB-CZ2 3.53Å; V51-W53 HydrophobicContact CB-CZ3 3.76Å; V51-W53 HydrophobicContact CG1-CH2 3.37Å; V51-W53 HydrophobicContact CG1-CZ2 3.48Å; V51-W53 VanDerWaalsContact CG1-CZ2 3.48Å; V51-W53 HydrophobicContact CG1-CZ3 4.02Å; V51-W53 HydrophobicContact CG2-CD2 4.36Å; V51-W53 HydrophobicContact CG2-CZ2 4.06Å; W53-Q55 PolarHBondContact O-N 2.86Å; W53-Q55 VanDerWaalsContact O-N 3.12Å; W53-Y56 HydrophobicContact CB-CD2 4.23Å; W53-Y56 VanDerWaalsContact O-CD2 3.31Å; W53-Y56 WeakPolarHBondContact O-CD2 3.34Å; W53-Y56 PolarHBondContact O-N 3.22Å; W53-F80 AromaticContact CH2-CD2 3.97Å; W53-F80 HydrophobicContact CH2-CD2 3.97Å; W53-F80 AromaticContact CH2-CE2 3.79Å; W53-F80 HydrophobicContact CH2-CE2 3.79Å; W53-F80 AromaticContact CZ3-CD2 3.7Å; W53-F80 HydrophobicContact CZ3-CD2 3.7Å; W53-F80 HydrophobicContact CZ3-CE2 4.03Å; W53-W375 AromaticContact CH2-CH2 3.96Å; W53-W375 HydrophobicContact CH2-CH2 3.96Å; W53-W375 HydrophobicContact CH2-CZ2 4.24Å; W53-W375 HydrophobicContact CZ2-CH2 4.43Å; W53-W375 HydrophobicContact CZ2-CZ2 4.27Å
54	A	93.8	Very high	93.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.2	-14.5	177.9	0	0	0	0	0	112.8	V51 N52 Y56 R57 Y63 D378	V51-A54 HydrophobicContact CG2-CB 3.58Å; N52-A54 VanDerWaalsContact C-N 3.34Å; A54-Y56 PolarHBondContact O-N 3.41Å; A54-R57 WeakPolarHBondContact O-CB 3.37Å; A54-R57 PolarHBondContact O-N 3.09Å; A54-R57 VanDerWaalsContact O-N 3.15Å; A54-Y63 CarbonylContact C-O 3.54Å; A54-Y63 PolarHBondContact O-N 3.49Å; A54-Y63 VanDerWaalsContact O-N 3.11Å; A54-D378 HydrophobicContact CB-CB 3.63Å
55	Q	91.7	Very high	93.2	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.093	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.3	169.2	71.3	-178.9	-60.4	0	0	113.3	N52 W53 Y63 F64 N95	N52-Q55 WeakPolarHBondContact O-CG 3.4Å; N52-Q55 PolarHBondContact O-NE2 3.34Å; W53-Q55 PolarHBondContact O-N 2.86Å; W53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-Y63 VanDerWaalsContact CA-O 3.22Å; Q55-Y63 WeakPolarHBondContact CA-O 3.47Å; Q55-Y63 PolarHBondContact N-O 2.93Å; Q55-Y63 VanDerWaalsContact N-O 3.11Å; Q55-F64 HydrophobicContact CB-CD1 4.08Å; Q55-F64 HydrophobicContact CB-CE1 3.7Å; Q55-F64 HydrophobicContact CB-CZ 3.97Å; Q55-N95 PolarHBondContact NE2-OD1 2.94Å; Q55-N95 PolarHBondContact OE1-ND2 3.24Å
56	Y	91	Very high	93	Very high	123 Å²	123	38.9 Å²	38.9	48%	0.482	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-91.5	-1.2	-178.9	-53.9	-58.5	0	0	0	113.7	W53 A54 E93 W94	W53-Y56 HydrophobicContact CB-CD2 4.23Å; W53-Y56 VanDerWaalsContact O-CD2 3.31Å; W53-Y56 WeakPolarHBondContact O-CD2 3.34Å; W53-Y56 PolarHBondContact O-N 3.22Å; A54-Y56 PolarHBondContact O-N 3.41Å; Y56-E93 WeakPolarHBondContact CE2-OE2 3.43Å; Y56-E93 PolarHBondContact OH-OE2 3.39Å; Y56-W94 PolarHBondContact OH-NE1 3.04Å
57	R	91.6	Very high	92.9	Very high	37 Å²	37	39.1 Å²	39.1	14%	0.14	17%	0.173	C	C	.	.	S	Bend	trans	-66.2	141.9	173.7	-74.6	-171.2	180	156.6	15.7	110	A54 G61 S62 Y309 Y319 D378	A54-R57 WeakPolarHBondContact O-CB 3.37Å; A54-R57 PolarHBondContact O-N 3.09Å; A54-R57 VanDerWaalsContact O-N 3.15Å; R57-G61 VanDerWaalsContact CB-C 3.42Å; R57-G61 VanDerWaalsContact CB-O 3.23Å; R57-G61 WeakPolarHBondContact CB-O 3.49Å; R57-G61 WeakPolarHBondContact CD-O 3.36Å; R57-S62 WeakPolarHBondContact O-CA 3.41Å; R57-S62 WeakPolarHBondContact O-CB 3.16Å; R57-S62 PolarHBondContact O-N 3.38Å; R57-Y309 WeakPolarHBondContact CG-O 3.43Å; R57-Y319 PolarHBondContact NH1-OH 3.11Å; R57-Y319 VanDerWaalsContact NH1-OH 3.14Å; R57-D378 IonicContact CZ-OD2 2.82Å; R57-D378 IonicContact NE-OD2 2.88Å; R57-D378 PolarHBondContact NH1-O 3.47Å; R57-D378 IonicContact NH1-OD2 3.19Å; R57-D378 PolarHBondContact NH1-OD2 3.15Å; R57-D378 IonicContact NH2-OD2 3.85Å; R57-D378 PolarHBondContact NH2-OD2 3.07Å
58	P	82.6	Confident	92.7	Very high	22 Å²	22	39.3 Å²	39.3	14%	0.143	17%	0.173	C	C	.	.			trans	-71.8	160.6	-176.1	35.8	-41.5	0	0	0	111.5	N60 G61 N308 Y309	P58-N60 PolarHBondContact O-N 3.48Å; P58-G61 WeakPolarHBondContact O-CA 3.32Å; P58-G61 PolarHBondContact O-N 3.05Å; P58-N308 WeakPolarHBondContact CG-O 3.33Å; P58-Y309 WeakPolarHBondContact CD-O 3.22Å
59	Y	88.7	Confident	92.3	Very high	160 Å²	160	40.6 Å²	40.6	63%	0.627	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	52.8	-132.9	167.8	-44.2	-59.1	0	0	0	112.5	G61 S62 Y309	Y59-G61 PolarHBondContact O-N 3.46Å; Y59-S62 PolarHBondContact O-N 3.3Å; Y59-S62 PolarHBondContact O-OG 3.39Å; Y59-Y309 HydrophobicContact CD2-CD1 4.47Å; Y59-Y309 HydrophobicContact CD2-CE1 4.25Å
60	N	89.6	Confident	91.8	Very high	72 Å²	72	41.8 Å²	41.8	39%	0.385	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-70.4	-8.7	177.4	-68	-28.7	0	0	0	114.1	P58 Y309 K383 I385 F386	P58-N60 PolarHBondContact O-N 3.48Å; N60-Y309 HydrophobicContact CB-CE1 4.15Å; N60-K383 HydrophobicContact CB-CD 4.28Å; N60-K383 VanDerWaalsContact O-CD 3.24Å; N60-K383 WeakPolarHBondContact O-CD 3.18Å; N60-K383 WeakPolarHBondContact O-CE 3.17Å; N60-K383 PolarHBondContact O-NZ 2.81Å; N60-I385 HydrophobicContact CB-CD1 3.94Å; N60-I385 WeakPolarHBondContact ND2-CD1 3.22Å; N60-F386 HydrophobicContact CB-CE1 3.93Å; N60-F386 HydrophobicContact CB-CE2 4.34Å; N60-F386 HydrophobicContact CB-CZ 3.41Å; N60-F386 VanDerWaalsContact CB-CZ 3.41Å
61	G	89.7	Confident	91.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-80.2	-13.2	177.3	0	0	0	0	0	114.6	R57 P58 Y59 Y63	R57-G61 VanDerWaalsContact CB-C 3.42Å; R57-G61 VanDerWaalsContact CB-O 3.23Å; R57-G61 WeakPolarHBondContact CB-O 3.49Å; R57-G61 WeakPolarHBondContact CD-O 3.36Å; P58-G61 WeakPolarHBondContact O-CA 3.32Å; P58-G61 PolarHBondContact O-N 3.05Å; Y59-G61 PolarHBondContact O-N 3.46Å; G61-Y63 PolarHBondContact O-N 3.22Å
62	S	92.2	Very high	91.1	Very high	28 Å²	28	43.5 Å²	43.5	20%	0.196	20%	0.204	C	C	.	.			trans	-61.7	128.9	176.9	50.6	0	0	0	0	111.6	R57 Y59 F382 K383	R57-S62 WeakPolarHBondContact O-CA 3.41Å; R57-S62 WeakPolarHBondContact O-CB 3.16Å; R57-S62 PolarHBondContact O-N 3.38Å; Y59-S62 PolarHBondContact O-N 3.3Å; Y59-S62 PolarHBondContact O-OG 3.39Å; S62-F382 WeakPolarHBondContact O-CE2 3.3Å; S62-F382 VanDerWaalsContact O-CZ 3.3Å; S62-F382 WeakPolarHBondContact O-CZ 3.24Å; S62-K383 WeakPolarHBondContact O-CE 3.45Å; S62-K383 PolarHBondContact O-NZ 3.33Å
63	Y	94.7	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.			trans	-127	131.7	-178.3	-174.9	-84.4	0	0	0	111.7	M50 A54 Q55 G61 D67 L377 D378 F382 Y395	M50-Y63 HydrophobicContact CE-CE1 4.25Å; M50-Y63 HydrophobicContact CG-CE1 3.86Å; M50-Y63 HydrophobicContact SD-CE1 4.36Å; A54-Y63 CarbonylContact C-O 3.54Å; A54-Y63 PolarHBondContact O-N 3.49Å; A54-Y63 VanDerWaalsContact O-N 3.11Å; Q55-Y63 VanDerWaalsContact CA-O 3.22Å; Q55-Y63 WeakPolarHBondContact CA-O 3.47Å; Q55-Y63 PolarHBondContact N-O 2.93Å; Q55-Y63 VanDerWaalsContact N-O 3.11Å; G61-Y63 PolarHBondContact O-N 3.22Å; Y63-D67 HydrophobicContact CD2-CB 4.23Å; Y63-D67 HydrophobicContact CE2-CB 4Å; Y63-L377 HydrophobicContact CE2-CB 4.31Å; Y63-D378 HydrophobicContact CD1-CB 3.97Å; Y63-D378 HydrophobicContact CD2-CB 3.77Å; Y63-D378 HydrophobicContact CE2-CB 4.44Å; Y63-D378 HydrophobicContact CG-CB 3.51Å; Y63-F382 HydrophobicContact CD2-CB 4.26Å; Y63-F382 AromaticContact CD2-CD1 3.84Å; Y63-F382 HydrophobicContact CD2-CD1 3.84Å; Y63-F382 AromaticContact CD2-CD2 3.5Å; Y63-F382 HydrophobicContact CD2-CD2 3.5Å; Y63-F382 AromaticContact CD2-CE1 3.98Å; Y63-F382 HydrophobicContact CD2-CE1 3.98Å; Y63-F382 AromaticContact CD2-CE2 3.58Å; Y63-F382 HydrophobicContact CD2-CE2 3.58Å; Y63-F382 AromaticContact CD2-CG 3.62Å; Y63-F382 HydrophobicContact CD2-CG 3.62Å; Y63-F382 AromaticContact CD2-CZ 3.86Å; Y63-F382 HydrophobicContact CD2-CZ 3.86Å; Y63-F382 HydrophobicContact CE2-CB 4.03Å; Y63-F382 HydrophobicContact CE2-CD1 4.39Å; Y63-F382 AromaticContact CE2-CD2 3.94Å; Y63-F382 HydrophobicContact CE2-CD2 3.94Å; Y63-F382 HydrophobicContact CE2-CE2 4.45Å; Y63-F382 AromaticContact CE2-CG 3.9Å; Y63-F382 HydrophobicContact CE2-CG 3.9Å; Y63-F382 HydrophobicContact CG-CE2 4.34Å; Y63-F382 HydrophobicContact CG-CZ 4.43Å; Y63-Y395 HydrophobicContact CE2-CE1 4.15Å; Y63-Y395 WeakPolarHBondContact CE2-OH 3.21Å; Y63-Y395 PolarHBondContact OH-OH 2.91Å
64	F	93.3	Very high	91.5	Very high	62 Å²	62	40.1 Å²	40.1	27%	0.272	19%	0.194	S	C	.	.			trans	-126.1	161	175.6	-66	-91.5	0	0	0	110.4	Q55 K66 D67	Q55-F64 HydrophobicContact CB-CD1 4.08Å; Q55-F64 HydrophobicContact CB-CE1 3.7Å; Q55-F64 HydrophobicContact CB-CZ 3.97Å; F64-K66 HydrophobicContact CB-CG 3.8Å; F64-K66 PolarHBondContact O-N 3.17Å; F64-K66 VanDerWaalsContact O-N 3.07Å; F64-D67 PolarHBondContact N-OD2 3.45Å; F64-D67 WeakPolarHBondContact O-CB 3.43Å; F64-D67 PolarHBondContact O-N 3.41Å
65	A	93.7	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.8	-26.9	176.1	0	0	0	0	0	113.6	M50 D67 Y68 S99 F100 V103 M104 F107	M50-A65 HydrophobicContact CE-CB 4.34Å; M50-A65 HydrophobicContact SD-CB 3.69Å; A65-D67 PolarHBondContact O-N 3.32Å; A65-Y68 WeakPolarHBondContact O-CB 3.32Å; A65-Y68 PolarHBondContact O-N 3.35Å; A65-Y68 VanDerWaalsContact O-N 3.16Å; A65-S99 WeakPolarHBondContact CB-O 3.43Å; A65-F100 HydrophobicContact CB-CB 4.32Å; A65-F100 HydrophobicContact CB-CD1 3.77Å; A65-F100 HydrophobicContact CB-CE1 4.35Å; A65-F100 HydrophobicContact CB-CG 4.19Å; A65-V103 HydrophobicContact CB-CB 3.96Å; A65-V103 HydrophobicContact CB-CG1 3.8Å; A65-M104 HydrophobicContact CB-CG 4.36Å; A65-M104 HydrophobicContact CB-SD 4.33Å; A65-F107 WeakPolarHBondContact O-CE2 3.32Å
66	K	92.4	Very high	91.9	Very high	146 Å²	146	40.3 Å²	40.3	64%	0.635	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-66	-17.8	175.4	65.9	172.1	-175.7	177.3	0	114.1	F64 V103	F64-K66 HydrophobicContact CB-CG 3.8Å; F64-K66 PolarHBondContact O-N 3.17Å; F64-K66 VanDerWaalsContact O-N 3.07Å; K66-V103 HydrophobicContact CB-CG1 4.49Å
67	D	93.8	Very high	92.3	Very high	43 Å²	43	34.4 Å²	34.4	23%	0.23	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-79.9	-9.8	177.1	-57.5	-44.1	0	0	0	111.1	Y63 F64 A65 F382 Y395	Y63-D67 HydrophobicContact CD2-CB 4.23Å; Y63-D67 HydrophobicContact CE2-CB 4Å; F64-D67 PolarHBondContact N-OD2 3.45Å; F64-D67 WeakPolarHBondContact O-CB 3.43Å; F64-D67 PolarHBondContact O-N 3.41Å; A65-D67 PolarHBondContact O-N 3.32Å; D67-F382 HydrophobicContact CB-CD2 4.15Å; D67-Y395 WeakPolarHBondContact O-CE2 3.43Å; D67-Y395 PolarHBondContact O-OH 3.13Å
68	Y	94.4	Very high	92.6	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.02	17%	0.167	C	C	.	.			trans	-66.8	145.6	174.8	176.3	-104.2	0	0	0	112.3	M50 A65 V76 M104 F107 L114 L377	M50-Y68 HydrophobicContact CE-CD2 4.19Å; M50-Y68 HydrophobicContact CE-CG 4.11Å; A65-Y68 WeakPolarHBondContact O-CB 3.32Å; A65-Y68 PolarHBondContact O-N 3.35Å; A65-Y68 VanDerWaalsContact O-N 3.16Å; Y68-V76 HydrophobicContact CE2-CG2 3.82Å; Y68-M104 HydrophobicContact CD1-CE 3.99Å; Y68-M104 HydrophobicContact CD1-SD 4.25Å; Y68-M104 HydrophobicContact CE1-CE 4.04Å; Y68-M104 HydrophobicContact CG-CE 4.45Å; Y68-M104 HydrophobicContact CG-SD 4.43Å; Y68-F107 HydrophobicContact CD1-CB 4.42Å; Y68-F107 HydrophobicContact CD1-CD1 4.06Å; Y68-F107 AromaticContact CD1-CD2 3.87Å; Y68-F107 HydrophobicContact CD1-CD2 3.87Å; Y68-F107 HydrophobicContact CD1-CE1 4.2Å; Y68-F107 HydrophobicContact CD1-CE2 4.04Å; Y68-F107 AromaticContact CD1-CG 3.86Å; Y68-F107 HydrophobicContact CD1-CG 3.86Å; Y68-F107 HydrophobicContact CD1-CZ 4.18Å; Y68-F107 HydrophobicContact CE1-CB 4.46Å; Y68-F107 HydrophobicContact CE1-CD1 4.46Å; Y68-F107 HydrophobicContact CE1-CG 4.31Å; Y68-F107 WeakPolarHBondContact O-CZ 3.15Å; Y68-L114 HydrophobicContact CE1-CD2 4.01Å; Y68-L377 HydrophobicContact CD2-CD1 3.96Å; Y68-L377 HydrophobicContact CE2-CD1 4.43Å
69	E	90.8	Very high	93.2	Very high	27 Å²	27	32 Å²	32	13%	0.126	16%	0.161	C	C	.	.			trans	-116.8	132.3	173.4	-64.5	-177.8	-153.2	0	0	111.8	L72 T394 Y395 R399 L825	E69-L72 HydrophobicContact CB-CD1 3.86Å; E69-L72 HydrophobicContact CB-CG 4.16Å; E69-L72 WeakPolarHBondContact O-CG 3.49Å; E69-T394 VanDerWaalsContact OE1-CB 3.3Å; E69-T394 WeakPolarHBondContact OE1-CB 3.41Å; E69-T394 PolarHBondContact OE1-OG1 3.44Å; E69-Y395 HydrophobicContact CG-CE2 4.23Å; E69-R399 IonicContact OE1-NH2 2.9Å; E69-R399 PolarHBondContact OE1-NH2 3.46Å; E69-R399 IonicContact OE2-CZ 3.55Å; E69-R399 IonicContact OE2-NH1 3.04Å; E69-R399 IonicContact OE2-NH2 2.8Å; E69-R399 PolarHBondContact OE2-NH2 3.48Å; E69-L825 HydrophobicContact CG-CD2 4.18Å
70	T	86.8	Confident	93.5	Very high	26 Å²	26	25.3 Å²	25.3	16%	0.16	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	149.6	177.1	51.7	0	0	0	0	112.4	L72 F107 Q110 D111 S828	T70-L72 VanDerWaalsContact C-N 3.26Å; T70-L72 PolarHBondContact O-N 2.83Å; T70-F107 HydrophobicContact CG2-CD1 3.46Å; T70-F107 VanDerWaalsContact CG2-CD1 3.46Å; T70-F107 HydrophobicContact CG2-CE1 4.05Å; T70-F107 HydrophobicContact CG2-CG 4.44Å; T70-Q110 HydrophobicContact CG2-CB 4.37Å; T70-D111 HydrophobicContact CG2-CB 4.42Å; T70-S828 WeakPolarHBondContact OG1-CB 3.42Å
71	G	86.9	Confident	93.8	Very high	34 Å²	34	21.9 Å²	21.9	35%	0.351	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-10.7	176.7	0	0	0	0	0	115.4	S402	G71-S402 PolarHBondContact O-OG 3.28Å
72	L	91.7	Very high	94	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	-67.9	-44.2	173.8	-67.5	-175.9	0	0	0	112.3	E69 T70 Y395 V398 R399 S402	E69-L72 HydrophobicContact CB-CD1 3.86Å; E69-L72 HydrophobicContact CB-CG 4.16Å; E69-L72 WeakPolarHBondContact O-CG 3.49Å; T70-L72 VanDerWaalsContact C-N 3.26Å; T70-L72 PolarHBondContact O-N 2.83Å; L72-Y395 HydrophobicContact CD1-CD2 3.63Å; L72-Y395 HydrophobicContact CD1-CE2 4.12Å; L72-Y395 HydrophobicContact CD1-CG 3.85Å; L72-V398 HydrophobicContact CB-CG1 4.04Å; L72-V398 HydrophobicContact CD1-CG1 4.42Å; L72-R399 HydrophobicContact CD2-CG 3.6Å; L72-S402 WeakPolarHBondContact O-CB 3.32Å; L72-S402 PolarHBondContact O-OG 3.29Å
73	C	95.4	Very high	94.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.119	C	C	.	.			trans	-127.9	145.2	-170.7	-41.1	0	0	0	0	110.2	R46 C48 V76 L114	R46-C73 CarbonylContact O-C 3.52Å; R46-C73 WeakPolarHBondContact O-CA 3.48Å; C48-C73 HydrophobicContact CB-CB 3.74Å; C48-C73 WeakPolarHBondContact CB-SG 3.24Å; C48-C73 WeakPolarHBondContact SG-CB 3.22Å; C48-C73 CovalentContact SG-SG 2.01Å; C48-C73 PolarHBondContact SG-SG 2.85Å; C73-V76 HydrophobicContact CB-CG2 4.22Å; C73-L114 WeakPolarHBondContact O-CD1 3.45Å
74	T	95.8	Very high	94.1	Very high	32 Å²	32	24.1 Å²	24.1	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	-83.3	-29.9	169.2	57.3	0	0	0	0	111.9	R46 K115	R46-T74 HydrophobicContact CB-CG2 4.23Å; R46-T74 PolarHBondContact N-OG1 3.17Å; R46-T74 PolarHBondContact O-N 2.8Å; R46-T74 PolarHBondContact O-OG1 2.93Å; T74-K115 PolarHBondContact O-N 2.97Å
75	H	97.6	Very high	93.9	Very high	24 Å²	24	28.2 Å²	28.2	11%	0.111	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.2	-177.4	-66	72.2	0	0	0	108.9	R46 G47 C48 F77 K115	R46-H75 PolarHBondContact O-N 3.17Å; R46-H75 VanDerWaalsContact O-N 3.09Å; G47-H75 CarbonylContact C-O 3.5Å; G47-H75 WeakPolarHBondContact CA-O 3.19Å; C48-H75 PolarHBondContact N-O 3.3Å; H75-F77 HydrophobicContact CB-CE2 4.11Å; H75-F77 HydrophobicContact CB-CZ 4.06Å; H75-K115 CarbonylContact C-O 3.47Å; H75-K115 VanDerWaalsContact CA-O 3.23Å; H75-K115 WeakPolarHBondContact CA-O 3.2Å
76	V	98	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.1	170.6	171.4	0	0	0	0	108.7	C48 M50 Y68 C73 L78 M104 L114 K115 V116 L117	C48-V76 HydrophobicContact CB-CG2 4.41Å; C48-V76 CarbonylContact O-C 3.51Å; C48-V76 VanDerWaalsContact O-CA 3.29Å; C48-V76 WeakPolarHBondContact O-CA 3.24Å; M50-V76 HydrophobicContact CB-CG1 4.09Å; M50-V76 HydrophobicContact CE-CG1 4.35Å; Y68-V76 HydrophobicContact CE2-CG2 3.82Å; C73-V76 HydrophobicContact CB-CG2 4.22Å; V76-L78 HydrophobicContact CG1-CD2 3.89Å; V76-M104 HydrophobicContact CB-CE 4.11Å; V76-M104 HydrophobicContact CG1-CE 4Å; V76-M104 HydrophobicContact CG2-CE 4.05Å; V76-L114 HydrophobicContact CG2-CD1 3.98Å; V76-K115 PolarHBondContact N-O 2.81Å; V76-V116 CarbonylContact O-C 3.58Å; V76-V116 WeakPolarHBondContact O-CA 3.45Å; V76-L117 PolarHBondContact O-N 3.42Å
77	F	98.2	Very high	93.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.8	177.3	-53.8	-87.8	0	0	0	108.2	C48 Y49 M50 H75 A79 L117 D160 T196 F221 N223	C48-F77 PolarHBondContact O-N 3.39Å; Y49-F77 WeakPolarHBondContact CA-O 3.4Å; Y49-F77 HydrophobicContact CD1-CB 3.58Å; Y49-F77 HydrophobicContact CD1-CG 4.36Å; Y49-F77 HydrophobicContact CD2-CB 4.3Å; Y49-F77 AromaticContact CD2-CD2 3.93Å; Y49-F77 HydrophobicContact CD2-CD2 3.93Å; Y49-F77 HydrophobicContact CD2-CG 4.37Å; Y49-F77 HydrophobicContact CE1-CB 3.62Å; Y49-F77 HydrophobicContact CE1-CG 4.09Å; Y49-F77 HydrophobicContact CE2-CB 4.33Å; Y49-F77 AromaticContact CE2-CD2 3.79Å; Y49-F77 HydrophobicContact CE2-CD2 3.79Å; Y49-F77 HydrophobicContact CE2-CE2 4.33Å; Y49-F77 HydrophobicContact CE2-CG 4.1Å; Y49-F77 HydrophobicContact CG-CB 3.95Å; Y49-F77 HydrophobicContact CG-CD2 4.39Å; Y49-F77 AromaticContact CZ-CG 3.96Å; M50-F77 PolarHBondContact N-O 3.06Å; H75-F77 HydrophobicContact CB-CE2 4.11Å; H75-F77 HydrophobicContact CB-CZ 4.06Å; F77-A79 PolarHBondContact O-N 2.97Å; F77-L117 HydrophobicContact CD1-CB 3.98Å; F77-L117 HydrophobicContact CD1-CD2 4.31Å; F77-L117 HydrophobicContact CE1-CB 4.41Å; F77-L117 HydrophobicContact CE1-CD2 3.94Å; F77-D160 HydrophobicContact CD1-CB 3.72Å; F77-D160 HydrophobicContact CE1-CB 4.22Å; F77-T196 HydrophobicContact CE1-CG2 4.36Å; F77-F221 HydrophobicContact CE1-CE2 4.4Å; F77-F221 HydrophobicContact CE1-CZ 4.5Å; F77-F221 AromaticContact CZ-CE2 3.88Å; F77-F221 HydrophobicContact CZ-CE2 3.88Å; F77-F221 HydrophobicContact CZ-CZ 4.01Å; F77-N223 WeakPolarHBondContact CE1-ND2 3.39Å; F77-N223 VanDerWaalsContact CZ-ND2 3.34Å; F77-N223 WeakPolarHBondContact CZ-ND2 3.42Å
78	L	97.3	Very high	93.9	Very high	5 Å²	5	33 Å²	33	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	108	177.6	-66	-169.7	0	0	0	109.6	M50 V76 Y101 M104 V116 L117 S119 F156	M50-L78 HydrophobicContact CB-CD2 3.75Å; M50-L78 HydrophobicContact CG-CD2 3.96Å; M50-L78 HydrophobicContact SD-CD2 3.5Å; M50-L78 WeakPolarHBondContact SD-CD2 3.32Å; V76-L78 HydrophobicContact CG1-CD2 3.89Å; L78-Y101 HydrophobicContact CB-CE1 4.49Å; L78-Y101 HydrophobicContact CD1-CD1 3.5Å; L78-Y101 HydrophobicContact CD1-CE1 3.95Å; L78-Y101 HydrophobicContact CD1-CG 4.5Å; L78-M104 HydrophobicContact CD1-CB 4.39Å; L78-M104 HydrophobicContact CD1-CG 4.08Å; L78-M104 HydrophobicContact CD2-CG 4Å; L78-V116 HydrophobicContact CD1-CG1 3.97Å; L78-V116 HydrophobicContact CG-CG1 3.93Å; L78-L117 PolarHBondContact N-O 2.94Å; L78-S119 PolarHBondContact O-N 3.37Å; L78-F156 HydrophobicContact CB-CE1 4.45Å; L78-F156 HydrophobicContact CD1-CE1 3.85Å; L78-F156 HydrophobicContact CD1-CZ 4.1Å; L78-F156 HydrophobicContact CG-CE1 4.34Å
79	A	96.2	Very high	94	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.2	-177	0	0	0	0	0	110.4	Y49 M50 V51 N52 F77 W375	Y49-A79 HydrophobicContact CD1-CB 4.17Å; M50-A79 PolarHBondContact O-N 3.09Å; V51-A79 CarbonylContact C-O 3.55Å; V51-A79 VanDerWaalsContact CA-O 3.3Å; V51-A79 WeakPolarHBondContact CA-O 3.37Å; V51-A79 HydrophobicContact CG1-CB 4.17Å; N52-A79 PolarHBondContact N-O 3.49Å; N52-A79 PolarHBondContact OD1-O 2.63Å; F77-A79 PolarHBondContact O-N 2.97Å; A79-W375 HydrophobicContact CB-CH2 4.47Å; A79-W375 HydrophobicContact CB-CZ3 4.26Å
80	F	95.4	Very high	94.2	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.088	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-136	152.3	-5.8	-64.7	-78.2	0	0	0	111.1	N52 W53 S92 S119 D162 W375	N52-F80 PolarHBondContact ND2-O 2.89Å; W53-F80 AromaticContact CH2-CD2 3.97Å; W53-F80 HydrophobicContact CH2-CD2 3.97Å; W53-F80 AromaticContact CH2-CE2 3.79Å; W53-F80 HydrophobicContact CH2-CE2 3.79Å; W53-F80 AromaticContact CZ3-CD2 3.7Å; W53-F80 HydrophobicContact CZ3-CD2 3.7Å; W53-F80 HydrophobicContact CZ3-CE2 4.03Å; F80-S92 VanDerWaalsContact O-CB 3.26Å; F80-S92 WeakPolarHBondContact O-CB 3.3Å; F80-S92 PolarHBondContact O-OG 2.91Å; F80-S119 WeakPolarHBondContact CA-O 3.3Å; F80-S119 WeakPolarHBondContact CD1-OG 3.13Å; F80-S119 VanDerWaalsContact CE1-OG 3.29Å; F80-S119 WeakPolarHBondContact CE1-OG 3.49Å; F80-D162 HydrophobicContact CE1-CB 4Å; F80-D162 VanDerWaalsContact CE1-OD2 3.24Å; F80-D162 WeakPolarHBondContact CE1-OD2 3.1Å; F80-D162 VanDerWaalsContact CZ-OD2 3.23Å; F80-D162 WeakPolarHBondContact CZ-OD2 3.29Å; F80-W375 AromaticContact CE2-CH2 3.65Å; F80-W375 HydrophobicContact CE2-CH2 3.65Å; F80-W375 HydrophobicContact CE2-CZ3 4.24Å; F80-W375 AromaticContact CZ-CH2 3.6Å; F80-W375 HydrophobicContact CZ-CH2 3.6Å; F80-W375 AromaticContact CZ-CZ3 3.75Å; F80-W375 HydrophobicContact CZ-CZ3 3.75Å
81	A	96	Very high	94.6	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	165.2	155	0	0	0	0	0	110.9	V89 T90 L118 S119 L120	A81-V89 HydrophobicContact CB-CG1 4.15Å; A81-T90 WeakPolarHBondContact CB-O 3.3Å; A81-L118 HydrophobicContact CB-CD1 3.76Å; A81-L118 HydrophobicContact CB-CD2 3.85Å; A81-L118 HydrophobicContact CB-CG 3.85Å; A81-S119 PolarHBondContact N-O 2.81Å; A81-L120 HydrophobicContact CB-CB 4.43Å; A81-L120 HydrophobicContact CB-CD1 4.44Å
82	T	94.3	Very high	94.8	Very high	35 Å²	35	35.8 Å²	35.8	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-177.7	175.8	-166.3	0	0	0	0	111.5	T90 T91 F125	T82-T90 HydrophobicContact CG2-CG2 3.67Å; T82-T90 PolarHBondContact N-O 2.89Å; T82-T90 PolarHBondContact O-N 3.45Å; T82-T91 WeakPolarHBondContact CG2-O 3.34Å; T82-F125 WeakPolarHBondContact OG1-CE2 3.34Å
83	L	94.2	Very high	94.8	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.2	174.5	-67.1	-175.4	0	0	0	110.8	Y87 E88 V89 L120 F125 K129 V133 F143	L83-Y87 HydrophobicContact CD1-CD1 4.41Å; L83-E88 WeakPolarHBondContact CA-O 3.42Å; L83-V89 HydrophobicContact CD2-CG2 4.09Å; L83-L120 HydrophobicContact CD2-CD1 3.84Å; L83-L120 HydrophobicContact CG-CD1 4.29Å; L83-L120 HydrophobicContact CG-CD2 4.4Å; L83-F125 HydrophobicContact CB-CE2 4.35Å; L83-F125 HydrophobicContact CB-CZ 4.13Å; L83-F125 HydrophobicContact CD1-CZ 3.93Å; L83-F125 HydrophobicContact CG-CE2 4.4Å; L83-F125 HydrophobicContact CG-CZ 3.87Å; L83-K129 HydrophobicContact CB-CD 4.07Å; L83-K129 HydrophobicContact CD1-CB 4.23Å; L83-K129 PolarHBondContact O-NZ 3.22Å; L83-V133 HydrophobicContact CD1-CG2 4.09Å; L83-F143 HydrophobicContact CD1-CD2 4.49Å; L83-F143 HydrophobicContact CD2-CD2 3.69Å; L83-F143 HydrophobicContact CD2-CE2 3.69Å
84	S	93.2	Very high	94.5	Very high	36 Å²	36	47.7 Å²	47.7	25%	0.252	24%	0.235	S	C	.	.			trans	-61.1	170.8	166.5	63.4	0	0	0	0	111.9	K86 Y87 E88	S84-K86 PolarHBondContact O-N 3.21Å; S84-K86 VanDerWaalsContact O-N 3.13Å; S84-Y87 WeakPolarHBondContact O-CA 3.34Å; S84-Y87 PolarHBondContact O-N 3.45Å; S84-E88 PolarHBondContact N-O 3.47Å; S84-E88 PolarHBondContact OG-N 3.16Å; S84-E88 VanDerWaalsContact OG-N 3.17Å; S84-E88 PolarHBondContact OG-O 2.85Å; S84-E88 VanDerWaalsContact OG-O 3.08Å
85	D	89.7	Confident	94.1	Very high	148 Å²	148	46.8 Å²	46.8	79%	0.791	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.4	175.3	-63.3	-29.3	0	0	0	113.4	Y87	D85-Y87 VanDerWaalsContact C-N 3.28Å
86	K	92.3	Very high	93.9	Very high	165 Å²	165	45.6 Å²	45.6	72%	0.717	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	5.7	173.6	-64.3	-178.1	-178	175.1	0	113.3	S84 E88	S84-K86 PolarHBondContact O-N 3.21Å; S84-K86 VanDerWaalsContact O-N 3.13Å; K86-E88 HydrophobicContact CB-CG 4.41Å; K86-E88 PolarHBondContact O-N 3.45Å
87	Y	93.7	Very high	93.7	Very high	61 Å²	61	48.8 Å²	48.8	24%	0.239	24%	0.24	C	C	.	.	S	Bend	trans	61.4	27.6	-175.8	-54.7	-90.7	0	0	0	113.9	L83 S84 D85 K129 K132 V133 L139	L83-Y87 HydrophobicContact CD1-CD1 4.41Å; S84-Y87 WeakPolarHBondContact O-CA 3.34Å; S84-Y87 PolarHBondContact O-N 3.45Å; D85-Y87 VanDerWaalsContact C-N 3.28Å; Y87-K129 HydrophobicContact CE1-CB 4.29Å; Y87-K129 HydrophobicContact CE1-CG 4.21Å; Y87-K132 HydrophobicContact CE1-CB 3.89Å; Y87-K132 HydrophobicContact CE1-CG 3.77Å; Y87-K132 HydrophobicContact CE2-CG 4.38Å; Y87-K132 WeakPolarHBondContact OH-CG 3.22Å; Y87-V133 HydrophobicContact CD1-CG2 3.51Å; Y87-V133 HydrophobicContact CE1-CG2 4.44Å; Y87-V133 HydrophobicContact CG-CG2 3.97Å; Y87-L139 HydrophobicContact CD2-CD1 4.39Å; Y87-L139 HydrophobicContact CD2-CD2 4.12Å
88	E	95	Very high	93.2	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	26%	0.261	S	S	.	.			trans	-96.1	143.2	171	-62	-168.2	124.3	0	0	110.9	L83 S84 K86 S146 R149	L83-E88 WeakPolarHBondContact CA-O 3.42Å; S84-E88 PolarHBondContact N-O 3.47Å; S84-E88 PolarHBondContact OG-N 3.16Å; S84-E88 VanDerWaalsContact OG-N 3.17Å; S84-E88 PolarHBondContact OG-O 2.85Å; S84-E88 VanDerWaalsContact OG-O 3.08Å; K86-E88 HydrophobicContact CB-CG 4.41Å; K86-E88 PolarHBondContact O-N 3.45Å; E88-S146 WeakPolarHBondContact CA-OG 3.49Å; E88-R149 IonicContact OE1-NH2 3.72Å; E88-R149 PolarHBondContact OE1-NH2 3.37Å
89	V	96	Very high	92.8	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	131.7	178	-179.4	0	0	0	0	111.3	A81 L83 L118 L120 F143 S146 L147 F150	A81-V89 HydrophobicContact CB-CG1 4.15Å; L83-V89 HydrophobicContact CD2-CG2 4.09Å; V89-L118 HydrophobicContact CG1-CD2 3.95Å; V89-L120 HydrophobicContact CB-CD1 4.47Å; V89-L120 HydrophobicContact CG1-CD1 4.15Å; V89-L120 HydrophobicContact CG2-CD1 3.81Å; V89-F143 HydrophobicContact CG2-CD2 4.06Å; V89-F143 HydrophobicContact CG2-CE2 3.63Å; V89-S146 PolarHBondContact N-OG 2.72Å; V89-L147 HydrophobicContact CG2-CB 3.89Å; V89-L147 HydrophobicContact CG2-CD1 4.04Å; V89-F150 HydrophobicContact CB-CB 4.38Å; V89-F150 HydrophobicContact CB-CG 4.43Å; V89-F150 HydrophobicContact CG1-CB 4.22Å; V89-F150 HydrophobicContact CG1-CD1 4.1Å; V89-F150 HydrophobicContact CG1-CD2 4.14Å; V89-F150 HydrophobicContact CG1-CG 3.9Å
90	T	95.3	Very high	92.7	Very high	54 Å²	54	52.5 Å²	52.5	33%	0.331	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	167.5	177.8	-169.8	0	0	0	0	111	A81 T82	A81-T90 WeakPolarHBondContact CB-O 3.3Å; T82-T90 HydrophobicContact CG2-CG2 3.67Å; T82-T90 PolarHBondContact N-O 2.89Å; T82-T90 PolarHBondContact O-N 3.45Å
91	T	94.3	Very high	92.7	Very high	34 Å²	34	51.9 Å²	51.9	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	148.8	174.2	54.7	0	0	0	0	111.6	T82 E93 D96 I97 Y101 F150	T82-T91 WeakPolarHBondContact CG2-O 3.34Å; T91-E93 WeakPolarHBondContact CB-O 3.42Å; T91-E93 PolarHBondContact OG1-O 3.39Å; T91-D96 WeakPolarHBondContact CB-OD2 3.45Å; T91-D96 HydrophobicContact CG2-CB 3.61Å; T91-I97 HydrophobicContact CG2-CD1 4.19Å; T91-I97 HydrophobicContact CG2-CG1 3.87Å; T91-Y101 HydrophobicContact CG2-CE2 3.96Å; T91-F150 HydrophobicContact CG2-CZ 4.13Å
92	S	91.5	Very high	92.7	Very high	50 Å²	50	55.5 Å²	55.5	35%	0.35	29%	0.289	S	S	.	.	S	Bend	trans	-88.3	-36.4	172.2	72.8	0	0	0	0	111.4	N52 F80 D96	N52-S92 PolarHBondContact ND2-OG 3.24Å; F80-S92 VanDerWaalsContact O-CB 3.26Å; F80-S92 WeakPolarHBondContact O-CB 3.3Å; F80-S92 PolarHBondContact O-OG 2.91Å; S92-D96 PolarHBondContact N-OD2 2.88Å
93	E	91.1	Very high	92.6	Very high	43 Å²	43	55.7 Å²	55.7	20%	0.201	29%	0.29	C	S	.	.	S	Bend	trans	-104.9	152.6	178.4	-60.9	-62.1	148	0	0	111.1	N52 Y56 T91 N95 D96	N52-E93 HydrophobicContact CB-CG 4.15Å; Y56-E93 WeakPolarHBondContact CE2-OE2 3.43Å; Y56-E93 PolarHBondContact OH-OE2 3.39Å; T91-E93 WeakPolarHBondContact CB-O 3.42Å; T91-E93 PolarHBondContact OG1-O 3.39Å; E93-N95 PolarHBondContact O-N 3.28Å; E93-D96 PolarHBondContact N-OD2 3.11Å; E93-D96 PolarHBondContact O-N 3.36Å
94	W	88.5	Confident	92.6	Very high	211 Å²	211	55.6 Å²	55.6	80%	0.799	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	-178.8	65.9	-86.3	0	0	0	112.8	Y56	Y56-W94 PolarHBondContact OH-NE1 3.04Å
95	N	89.2	Confident	92.6	Very high	13 Å²	13	58 Å²	58	7%	0.07	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	5.9	-176.7	67.3	-23.5	0	0	0	114.8	Q55 E93 I97 G98 S99	Q55-N95 PolarHBondContact NE2-OD1 2.94Å; Q55-N95 PolarHBondContact OE1-ND2 3.24Å; E93-N95 PolarHBondContact O-N 3.28Å; N95-I97 PolarHBondContact O-N 3.38Å; N95-I97 VanDerWaalsContact O-N 3.1Å; N95-G98 PolarHBondContact O-N 3.5Å; N95-G98 VanDerWaalsContact O-N 3.16Å; N95-S99 WeakPolarHBondContact ND2-CB 3.38Å; N95-S99 PolarHBondContact ND2-OG 2.68Å; N95-S99 VanDerWaalsContact ND2-OG 3.14Å; N95-S99 WeakPolarHBondContact O-CB 3.38Å; N95-S99 PolarHBondContact O-N 3.2Å
96	D	93.2	Very high	92.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-47.6	-44.6	-177.9	-88.2	-21.7	0	0	0	113	N52 T91 S92 E93 F100 Y101	N52-D96 WeakPolarHBondContact CB-OD1 3.35Å; N52-D96 PolarHBondContact ND2-OD1 2.76Å; N52-D96 PolarHBondContact ND2-OD2 2.82Å; T91-D96 WeakPolarHBondContact CB-OD2 3.45Å; T91-D96 HydrophobicContact CG2-CB 3.61Å; S92-D96 PolarHBondContact N-OD2 2.88Å; E93-D96 PolarHBondContact N-OD2 3.11Å; E93-D96 PolarHBondContact O-N 3.36Å; D96-F100 WeakPolarHBondContact O-CA 3.44Å; D96-F100 WeakPolarHBondContact O-CB 3.39Å; D96-F100 PolarHBondContact O-N 3.31Å; D96-F100 VanDerWaalsContact O-N 3.1Å; D96-Y101 HydrophobicContact CB-CE1 3.97Å; D96-Y101 HydrophobicContact CB-CE2 4.19Å; D96-Y101 WeakPolarHBondContact O-CD1 3.26Å; D96-Y101 PolarHBondContact O-N 2.84Å
97	I	92.2	Very high	92.7	Very high	67 Å²	67	48.4 Å²	48.4	34%	0.344	25%	0.248	S	C	.	.	I	π-helix	trans	-62.5	-55.6	-177.9	-65.7	167.5	0	0	0	110.7	T91 N95 Y101 D102	T91-I97 HydrophobicContact CG2-CD1 4.19Å; T91-I97 HydrophobicContact CG2-CG1 3.87Å; N95-I97 PolarHBondContact O-N 3.38Å; N95-I97 VanDerWaalsContact O-N 3.1Å; I97-Y101 HydrophobicContact CG1-CD2 4.1Å; I97-Y101 HydrophobicContact CG1-CE2 4.42Å; I97-Y101 PolarHBondContact O-N 3.33Å; I97-D102 WeakPolarHBondContact O-CB 3.34Å; I97-D102 VanDerWaalsContact O-CG 3.32Å; I97-D102 PolarHBondContact O-N 2.72Å
98	G	88.3	Confident	92.6	Very high	42 Å²	42	47.3 Å²	47.3	43%	0.433	25%	0.245	S	C	.	.	I	π-helix	trans	-78	-39.7	-173.2	0	0	0	0	0	113.7	N95	N95-G98 PolarHBondContact O-N 3.5Å; N95-G98 VanDerWaalsContact O-N 3.16Å
99	S	89.1	Confident	92.4	Very high	40 Å²	40	52.8 Å²	52.8	28%	0.28	26%	0.263	S	S	.	.	I	π-helix	trans	-89.6	-19.8	-172.7	-62.8	0	0	0	0	113.9	A65 N95 V103	A65-S99 WeakPolarHBondContact CB-O 3.43Å; N95-S99 WeakPolarHBondContact ND2-CB 3.38Å; N95-S99 PolarHBondContact ND2-OG 2.68Å; N95-S99 VanDerWaalsContact ND2-OG 3.14Å; N95-S99 WeakPolarHBondContact O-CB 3.38Å; N95-S99 PolarHBondContact O-N 3.2Å; S99-V103 WeakPolarHBondContact O-CG2 3.19Å
100	F	94.1	Very high	91.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	28%	0.276	C	S	.	.	I	π-helix	trans	-123.2	-55.6	-179.8	-68.1	-98.8	0	0	0	112.2	M50 N52 A65 D96 V103 M104	M50-F100 HydrophobicContact CG-CD1 4.28Å; M50-F100 HydrophobicContact CG-CE1 4.32Å; M50-F100 HydrophobicContact SD-CD1 3.84Å; M50-F100 HydrophobicContact SD-CE1 4.26Å; N52-F100 HydrophobicContact CB-CD1 4.45Å; N52-F100 HydrophobicContact CB-CD2 4.27Å; N52-F100 HydrophobicContact CB-CE1 4.26Å; N52-F100 HydrophobicContact CB-CE2 4.06Å; N52-F100 HydrophobicContact CB-CG 4.49Å; N52-F100 HydrophobicContact CB-CZ 4.07Å; A65-F100 HydrophobicContact CB-CB 4.32Å; A65-F100 HydrophobicContact CB-CD1 3.77Å; A65-F100 HydrophobicContact CB-CE1 4.35Å; A65-F100 HydrophobicContact CB-CG 4.19Å; D96-F100 WeakPolarHBondContact O-CA 3.44Å; D96-F100 WeakPolarHBondContact O-CB 3.39Å; D96-F100 PolarHBondContact O-N 3.31Å; D96-F100 VanDerWaalsContact O-N 3.1Å; F100-V103 PolarHBondContact O-N 3.4Å; F100-M104 WeakPolarHBondContact O-CB 3.38Å; F100-M104 WeakPolarHBondContact O-CG 3.36Å; F100-M104 PolarHBondContact O-N 3.05Å
101	Y	95.9	Very high	91.5	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.027	27%	0.268	C	S	.	.	I	π-helix	trans	-71.7	-45.5	-168.7	-56.8	-4.2	0	0	0	111.7	L78 T91 D96 I97 M104 K105 L118 F150 H154 F156	L78-Y101 HydrophobicContact CB-CE1 4.49Å; L78-Y101 HydrophobicContact CD1-CD1 3.5Å; L78-Y101 HydrophobicContact CD1-CE1 3.95Å; L78-Y101 HydrophobicContact CD1-CG 4.5Å; T91-Y101 HydrophobicContact CG2-CE2 3.96Å; D96-Y101 HydrophobicContact CB-CE1 3.97Å; D96-Y101 HydrophobicContact CB-CE2 4.19Å; D96-Y101 WeakPolarHBondContact O-CD1 3.26Å; D96-Y101 PolarHBondContact O-N 2.84Å; I97-Y101 HydrophobicContact CG1-CD2 4.1Å; I97-Y101 HydrophobicContact CG1-CE2 4.42Å; I97-Y101 PolarHBondContact O-N 3.33Å; Y101-M104 PolarHBondContact O-N 2.8Å; Y101-K105 WeakPolarHBondContact O-CB 3.49Å; Y101-K105 PolarHBondContact O-N 3Å; Y101-L118 HydrophobicContact CE1-CD1 4.39Å; Y101-F150 AromaticContact CE2-CE1 3.82Å; Y101-F150 HydrophobicContact CE2-CE1 3.82Å; Y101-F150 AromaticContact CE2-CZ 3.87Å; Y101-F150 HydrophobicContact CE2-CZ 3.87Å; Y101-H154 HydrophobicContact CD2-CB 4.38Å; Y101-F156 AromaticContact CD1-CZ 3.82Å; Y101-F156 HydrophobicContact CD1-CZ 3.82Å; Y101-F156 AromaticContact CD2-CE2 3.97Å; Y101-F156 HydrophobicContact CD2-CE2 3.97Å; Y101-F156 AromaticContact CD2-CZ 3.97Å; Y101-F156 HydrophobicContact CD2-CZ 3.97Å; Y101-F156 HydrophobicContact CE1-CZ 4.05Å; Y101-F156 HydrophobicContact CE2-CE2 4.2Å; Y101-F156 HydrophobicContact CE2-CZ 4.16Å; Y101-F156 HydrophobicContact CG-CE2 4.21Å; Y101-F156 AromaticContact CG-CZ 3.8Å; Y101-F156 HydrophobicContact CG-CZ 3.8Å
102	D	94.8	Very high	91.1	Very high	78 Å²	78	57.6 Å²	57.6	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-68.5	-35.6	177.8	-71.5	-26.3	0	0	0	111.7	I97 K105 E106	I97-D102 WeakPolarHBondContact O-CB 3.34Å; I97-D102 VanDerWaalsContact O-CG 3.32Å; I97-D102 PolarHBondContact O-N 2.72Å; D102-K105 WeakPolarHBondContact O-CB 3.47Å; D102-K105 PolarHBondContact O-N 2.81Å; D102-E106 PolarHBondContact O-N 3.07Å; D102-E106 VanDerWaalsContact O-N 3.17Å
103	V	93.4	Very high	91	Very high	38 Å²	38	61.4 Å²	61.4	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-48.2	174.6	177.5	0	0	0	0	111	A65 K66 S99 F100 K105 E106 F107	A65-V103 HydrophobicContact CB-CB 3.96Å; A65-V103 HydrophobicContact CB-CG1 3.8Å; K66-V103 HydrophobicContact CB-CG1 4.49Å; S99-V103 WeakPolarHBondContact O-CG2 3.19Å; F100-V103 PolarHBondContact O-N 3.4Å; V103-K105 VanDerWaalsContact C-N 3.26Å; V103-K105 PolarHBondContact O-N 2.59Å; V103-E106 WeakPolarHBondContact O-CB 3.28Å; V103-E106 PolarHBondContact O-N 3.05Å; V103-F107 HydrophobicContact CG1-CD2 4Å; V103-F107 HydrophobicContact CG1-CE2 3.74Å; V103-F107 WeakPolarHBondContact O-CD2 3.49Å; V103-F107 PolarHBondContact O-N 3.04Å
104	M	94.6	Very high	91.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-28.4	177.5	-71.2	-49.8	-58.9	0	0	113	M50 A65 Y68 V76 L78 F100 Y101 E106 F107 K108 L114 V116	M50-M104 HydrophobicContact CE-SD 3.69Å; M50-M104 HydrophobicContact SD-CG 4.38Å; M50-M104 HydrophobicContact SD-SD 4.17Å; A65-M104 HydrophobicContact CB-CG 4.36Å; A65-M104 HydrophobicContact CB-SD 4.33Å; Y68-M104 HydrophobicContact CD1-CE 3.99Å; Y68-M104 HydrophobicContact CD1-SD 4.25Å; Y68-M104 HydrophobicContact CE1-CE 4.04Å; Y68-M104 HydrophobicContact CG-CE 4.45Å; Y68-M104 HydrophobicContact CG-SD 4.43Å; V76-M104 HydrophobicContact CB-CE 4.11Å; V76-M104 HydrophobicContact CG1-CE 4Å; V76-M104 HydrophobicContact CG2-CE 4.05Å; L78-M104 HydrophobicContact CD1-CB 4.39Å; L78-M104 HydrophobicContact CD1-CG 4.08Å; L78-M104 HydrophobicContact CD2-CG 4Å; F100-M104 WeakPolarHBondContact O-CB 3.38Å; F100-M104 WeakPolarHBondContact O-CG 3.36Å; F100-M104 PolarHBondContact O-N 3.05Å; Y101-M104 PolarHBondContact O-N 2.8Å; M104-E106 VanDerWaalsContact C-N 3.27Å; M104-E106 PolarHBondContact O-N 3.46Å; M104-F107 HydrophobicContact CE-CB 4.28Å; M104-F107 HydrophobicContact CE-CD2 4.44Å; M104-F107 PolarHBondContact O-N 2.75Å; M104-F107 HydrophobicContact SD-CD2 3.83Å; M104-K108 WeakPolarHBondContact O-CG 3.28Å; M104-K108 PolarHBondContact O-N 3.11Å; M104-L114 HydrophobicContact CE-CD2 3.96Å; M104-V116 HydrophobicContact CB-CG1 4.12Å; M104-V116 HydrophobicContact CB-CG2 4.2Å; M104-V116 HydrophobicContact CE-CG2 3.92Å
105	K	93.1	Very high	91.5	Very high	86 Å²	86	52.6 Å²	52.6	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-35.1	170.9	-175.3	-178.7	179.3	-177.2	0	111.8	Y101 D102 V103 R109	Y101-K105 WeakPolarHBondContact O-CB 3.49Å; Y101-K105 PolarHBondContact O-N 3Å; D102-K105 WeakPolarHBondContact O-CB 3.47Å; D102-K105 PolarHBondContact O-N 2.81Å; V103-K105 VanDerWaalsContact C-N 3.26Å; V103-K105 PolarHBondContact O-N 2.59Å; K105-R109 PolarHBondContact O-N 2.98Å
106	E	91.9	Very high	91.9	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-71.5	-41.9	174	-168.7	53.9	-145.3	0	0	111.6	D102 V103 M104 K108 R109 Q110	D102-E106 PolarHBondContact O-N 3.07Å; D102-E106 VanDerWaalsContact O-N 3.17Å; V103-E106 WeakPolarHBondContact O-CB 3.28Å; V103-E106 PolarHBondContact O-N 3.05Å; M104-E106 VanDerWaalsContact C-N 3.27Å; M104-E106 PolarHBondContact O-N 3.46Å; E106-K108 VanDerWaalsContact C-N 3.28Å; E106-K108 PolarHBondContact O-N 3.37Å; E106-R109 WeakPolarHBondContact O-CA 3.09Å; E106-R109 VanDerWaalsContact O-CB 3.31Å; E106-R109 WeakPolarHBondContact O-CB 3.36Å; E106-R109 PolarHBondContact O-N 3.26Å; E106-R109 VanDerWaalsContact OE2-CD 3.22Å; E106-R109 WeakPolarHBondContact OE2-CD 3.4Å; E106-R109 IonicContact OE2-NH1 2.71Å; E106-R109 PolarHBondContact OE2-NH1 3.16Å; E106-Q110 PolarHBondContact O-N 3.46Å
107	F	91.8	Very high	92.1	Very high	28 Å²	28	52.2 Å²	52.2	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-37.8	172.4	-78.7	-61.9	0	0	0	113.2	A65 Y68 T70 V103 M104 R109 Q110 D111 L114	A65-F107 WeakPolarHBondContact O-CE2 3.32Å; Y68-F107 HydrophobicContact CD1-CB 4.42Å; Y68-F107 HydrophobicContact CD1-CD1 4.06Å; Y68-F107 AromaticContact CD1-CD2 3.87Å; Y68-F107 HydrophobicContact CD1-CD2 3.87Å; Y68-F107 HydrophobicContact CD1-CE1 4.2Å; Y68-F107 HydrophobicContact CD1-CE2 4.04Å; Y68-F107 AromaticContact CD1-CG 3.86Å; Y68-F107 HydrophobicContact CD1-CG 3.86Å; Y68-F107 HydrophobicContact CD1-CZ 4.18Å; Y68-F107 HydrophobicContact CE1-CB 4.46Å; Y68-F107 HydrophobicContact CE1-CD1 4.46Å; Y68-F107 HydrophobicContact CE1-CG 4.31Å; Y68-F107 WeakPolarHBondContact O-CZ 3.15Å; T70-F107 HydrophobicContact CG2-CD1 3.46Å; T70-F107 VanDerWaalsContact CG2-CD1 3.46Å; T70-F107 HydrophobicContact CG2-CE1 4.05Å; T70-F107 HydrophobicContact CG2-CG 4.44Å; V103-F107 HydrophobicContact CG1-CD2 4Å; V103-F107 HydrophobicContact CG1-CE2 3.74Å; V103-F107 WeakPolarHBondContact O-CD2 3.49Å; V103-F107 PolarHBondContact O-N 3.04Å; M104-F107 HydrophobicContact CE-CB 4.28Å; M104-F107 HydrophobicContact CE-CD2 4.44Å; M104-F107 PolarHBondContact O-N 2.75Å; M104-F107 HydrophobicContact SD-CD2 3.83Å; F107-R109 PolarHBondContact O-N 3.37Å; F107-Q110 PolarHBondContact O-N 2.77Å; F107-Q110 VanDerWaalsContact O-N 3.13Å; F107-D111 PolarHBondContact O-N 3.26Å; F107-L114 HydrophobicContact CB-CD2 4.15Å
108	K	92.1	Very high	92.4	Very high	38 Å²	38	49 Å²	49	17%	0.165	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-26.5	172.5	-76.2	177.4	55.7	168.1	0	114	M104 E106 Q110 D111 L114 V116 S155 D157	M104-K108 WeakPolarHBondContact O-CG 3.28Å; M104-K108 PolarHBondContact O-N 3.11Å; E106-K108 VanDerWaalsContact C-N 3.28Å; E106-K108 PolarHBondContact O-N 3.37Å; K108-Q110 VanDerWaalsContact C-N 3.35Å; K108-D111 CarbonylContact O-C 3.51Å; K108-L114 HydrophobicContact CG-CD2 4.32Å; K108-L114 HydrophobicContact CG-CG 4.38Å; K108-V116 HydrophobicContact CD-CB 3.85Å; K108-V116 HydrophobicContact CD-CG2 3.52Å; K108-V116 HydrophobicContact CG-CB 4.47Å; K108-V116 HydrophobicContact CG-CG2 3.6Å; K108-S155 PolarHBondContact NZ-O 3.03Å; K108-D157 WeakPolarHBondContact CE-OD2 3.37Å; K108-D157 IonicContact NZ-OD1 3.66Å; K108-D157 PolarHBondContact NZ-OD1 3.39Å; K108-D157 IonicContact NZ-OD2 3.69Å; K108-D157 PolarHBondContact NZ-OD2 2.86Å
109	R	89.4	Confident	92.8	Very high	180 Å²	180	47 Å²	47	68%	0.679	23%	0.232	S	C	*	.	H	α-helix	trans	-73.2	-33.5	173.9	-71.9	172.9	137.5	173.4	-5.7	111.2	K105 E106 F107	K105-R109 PolarHBondContact O-N 2.98Å; E106-R109 WeakPolarHBondContact O-CA 3.09Å; E106-R109 VanDerWaalsContact O-CB 3.31Å; E106-R109 WeakPolarHBondContact O-CB 3.36Å; E106-R109 PolarHBondContact O-N 3.26Å; E106-R109 VanDerWaalsContact OE2-CD 3.22Å; E106-R109 WeakPolarHBondContact OE2-CD 3.4Å; E106-R109 IonicContact OE2-NH1 2.71Å; E106-R109 PolarHBondContact OE2-NH1 3.16Å; F107-R109 PolarHBondContact O-N 3.37Å
110	Q	85.3	Confident	93.1	Very high	77 Å²	77	45.1 Å²	45.1	36%	0.36	22%	0.218	S	C	.	.	H	α-helix	trans	-77.9	-39.9	177.8	-61.5	175.3	15.5	0	0	112.4	T70 E106 F107 K108 P112	T70-Q110 HydrophobicContact CG2-CB 4.37Å; E106-Q110 PolarHBondContact O-N 3.46Å; F107-Q110 PolarHBondContact O-N 2.77Å; F107-Q110 VanDerWaalsContact O-N 3.13Å; K108-Q110 VanDerWaalsContact C-N 3.35Å; Q110-P112 WeakPolarHBondContact O-CD 3.24Å
111	D	87.2	Confident	93	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.15	22%	0.22	C	C	.	.			trans	-117.7	93	173.1	-177.9	1.2	0	0	0	110.8	T70 F107 K108 N113 L114	T70-D111 HydrophobicContact CG2-CB 4.42Å; F107-D111 PolarHBondContact O-N 3.26Å; K108-D111 CarbonylContact O-C 3.51Å; D111-N113 PolarHBondContact O-N 3.18Å; D111-N113 WeakPolarHBondContact OD1-CB 3.41Å; D111-N113 PolarHBondContact OD1-N 2.96Å; D111-L114 HydrophobicContact CB-CB 4.1Å; D111-L114 VanDerWaalsContact O-CB 3.3Å; D111-L114 WeakPolarHBondContact O-CB 3.41Å; D111-L114 PolarHBondContact O-N 2.81Å
112	P	87.2	Confident	92.8	Very high	95 Å²	95	45 Å²	45	62%	0.617	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.9	179.6	-25.8	35.2	0	0	0	115	Q110	Q110-P112 WeakPolarHBondContact O-CD 3.24Å
113	N	88.9	Confident	92.4	Very high	130 Å²	130	50.2 Å²	50.2	70%	0.695	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-20.2	178.1	-60.3	-59.1	0	0	0	112.4	D111 K115	D111-N113 PolarHBondContact O-N 3.18Å; D111-N113 WeakPolarHBondContact OD1-CB 3.41Å; D111-N113 PolarHBondContact OD1-N 2.96Å; N113-K115 PolarHBondContact O-N 2.64Å
114	L	93.9	Very high	92	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.264	C	S	.	.			trans	-63.6	129.3	178.9	-179	62.4	0	0	0	111	Y68 C73 V76 M104 F107 K108 D111 V116	Y68-L114 HydrophobicContact CE1-CD2 4.01Å; C73-L114 WeakPolarHBondContact O-CD1 3.45Å; V76-L114 HydrophobicContact CG2-CD1 3.98Å; M104-L114 HydrophobicContact CE-CD2 3.96Å; F107-L114 HydrophobicContact CB-CD2 4.15Å; K108-L114 HydrophobicContact CG-CD2 4.32Å; K108-L114 HydrophobicContact CG-CG 4.38Å; D111-L114 HydrophobicContact CB-CB 4.1Å; D111-L114 VanDerWaalsContact O-CB 3.3Å; D111-L114 WeakPolarHBondContact O-CB 3.41Å; D111-L114 PolarHBondContact O-N 2.81Å; L114-V116 HydrophobicContact CD2-CG2 4.25Å; L114-V116 HydrophobicContact CG-CG2 4.17Å
115	K	96	Very high	91.8	Very high	69 Å²	69	56.1 Å²	56.1	30%	0.3	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.8	171.6	-54.9	-56.8	171	-154.2	0	110	T74 H75 V76 N113 L117 D157 I194	T74-K115 PolarHBondContact O-N 2.97Å; H75-K115 CarbonylContact C-O 3.47Å; H75-K115 VanDerWaalsContact CA-O 3.23Å; H75-K115 WeakPolarHBondContact CA-O 3.2Å; V76-K115 PolarHBondContact N-O 2.81Å; N113-K115 PolarHBondContact O-N 2.64Å; K115-L117 HydrophobicContact CB-CD1 3.99Å; K115-D157 VanDerWaalsContact CA-OD2 3.31Å; K115-D157 WeakPolarHBondContact CA-OD2 3.28Å; K115-D157 HydrophobicContact CB-CB 4.13Å; K115-D157 HydrophobicContact CD-CB 3.99Å; K115-I194 HydrophobicContact CB-CD1 4.08Å; K115-I194 HydrophobicContact CD-CD1 4.31Å; K115-I194 HydrophobicContact CG-CD1 3.85Å
116	V	96.9	Very high	91.5	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.4	176.8	-176.8	0	0	0	0	108.4	V76 L78 M104 K108 L114 F156 D157	V76-V116 CarbonylContact O-C 3.58Å; V76-V116 WeakPolarHBondContact O-CA 3.45Å; L78-V116 HydrophobicContact CD1-CG1 3.97Å; L78-V116 HydrophobicContact CG-CG1 3.93Å; M104-V116 HydrophobicContact CB-CG1 4.12Å; M104-V116 HydrophobicContact CB-CG2 4.2Å; M104-V116 HydrophobicContact CE-CG2 3.92Å; K108-V116 HydrophobicContact CD-CB 3.85Å; K108-V116 HydrophobicContact CD-CG2 3.52Å; K108-V116 HydrophobicContact CG-CB 4.47Å; K108-V116 HydrophobicContact CG-CG2 3.6Å; L114-V116 HydrophobicContact CD2-CG2 4.25Å; L114-V116 HydrophobicContact CG-CG2 4.17Å; V116-F156 HydrophobicContact CG1-CD1 4.04Å; V116-F156 HydrophobicContact CG1-CE1 3.93Å; V116-F156 WeakPolarHBondContact O-CD1 3.29Å; V116-D157 PolarHBondContact N-OD2 2.89Å; V116-D157 PolarHBondContact O-N 3.17Å
117	L	97.9	Very high	91.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.3	-178.8	-75.2	76.8	0	0	0	109.7	V76 F77 L78 K115 G158 I194 T196	V76-L117 PolarHBondContact O-N 3.42Å; F77-L117 HydrophobicContact CD1-CB 3.98Å; F77-L117 HydrophobicContact CD1-CD2 4.31Å; F77-L117 HydrophobicContact CE1-CB 4.41Å; F77-L117 HydrophobicContact CE1-CD2 3.94Å; L78-L117 PolarHBondContact N-O 2.94Å; K115-L117 HydrophobicContact CB-CD1 3.99Å; L117-G158 WeakPolarHBondContact CA-O 3.34Å; L117-I194 HydrophobicContact CD1-CD1 4.5Å; L117-I194 HydrophobicContact CD2-CB 4.11Å; L117-I194 HydrophobicContact CD2-CG2 3.98Å; L117-T196 HydrophobicContact CD2-CG2 3.88Å
118	L	97.9	Very high	91.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.3	169.8	-173.3	66.6	0	0	0	108.3	A81 V89 Y101 F150 L151 F156 G158 F159 D160	A81-L118 HydrophobicContact CB-CD1 3.76Å; A81-L118 HydrophobicContact CB-CD2 3.85Å; A81-L118 HydrophobicContact CB-CG 3.85Å; V89-L118 HydrophobicContact CG1-CD2 3.95Å; Y101-L118 HydrophobicContact CE1-CD1 4.39Å; L118-F150 HydrophobicContact CD1-CE1 4.45Å; L118-F150 HydrophobicContact CD2-CD1 3.57Å; L118-F150 HydrophobicContact CD2-CE1 3.69Å; L118-L151 HydrophobicContact CB-CD2 3.68Å; L118-L151 HydrophobicContact CD2-CD2 4.06Å; L118-F156 HydrophobicContact CB-CD1 3.93Å; L118-F156 HydrophobicContact CB-CD2 4.27Å; L118-F156 HydrophobicContact CB-CE1 3.94Å; L118-F156 HydrophobicContact CB-CE2 4.28Å; L118-F156 HydrophobicContact CB-CG 4.11Å; L118-F156 HydrophobicContact CB-CZ 4.14Å; L118-F156 HydrophobicContact CD1-CE1 4.1Å; L118-F156 HydrophobicContact CD1-CE2 4.03Å; L118-F156 HydrophobicContact CD1-CZ 3.66Å; L118-F156 HydrophobicContact CG-CZ 4.45Å; L118-G158 PolarHBondContact N-O 3.32Å; L118-G158 VanDerWaalsContact N-O 3.1Å; L118-F159 WeakPolarHBondContact O-CA 3.31Å; L118-F159 VanDerWaalsContact O-CD2 3.26Å; L118-F159 WeakPolarHBondContact O-CD2 3.45Å; L118-D160 PolarHBondContact O-N 3.07Å
119	S	97.7	Very high	91.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.7	170.4	-168.8	0	0	0	0	109.9	L78 F80 A81 D160	L78-S119 PolarHBondContact O-N 3.37Å; F80-S119 WeakPolarHBondContact CA-O 3.3Å; F80-S119 WeakPolarHBondContact CD1-OG 3.13Å; F80-S119 VanDerWaalsContact CE1-OG 3.29Å; F80-S119 WeakPolarHBondContact CE1-OG 3.49Å; A81-S119 PolarHBondContact N-O 2.81Å; S119-D160 WeakPolarHBondContact CA-O 3.47Å; S119-D160 WeakPolarHBondContact CB-OD2 3.47Å; S119-D160 PolarHBondContact OG-OD2 2.86Å
120	L	96.2	Very high	91.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.1	177.4	-176.1	158.8	0	0	0	109.4	A81 L83 V89 F125 F130 F143 F159 D160 D162	A81-L120 HydrophobicContact CB-CB 4.43Å; A81-L120 HydrophobicContact CB-CD1 4.44Å; L83-L120 HydrophobicContact CD2-CD1 3.84Å; L83-L120 HydrophobicContact CG-CD1 4.29Å; L83-L120 HydrophobicContact CG-CD2 4.4Å; V89-L120 HydrophobicContact CB-CD1 4.47Å; V89-L120 HydrophobicContact CG1-CD1 4.15Å; V89-L120 HydrophobicContact CG2-CD1 3.81Å; L120-F125 HydrophobicContact CD2-CE1 4.43Å; L120-F125 HydrophobicContact CD2-CZ 4.28Å; L120-F130 HydrophobicContact CD2-CE1 3.5Å; L120-F130 VanDerWaalsContact CD2-CE1 3.5Å; L120-F130 HydrophobicContact CD2-CZ 3.41Å; L120-F130 VanDerWaalsContact CD2-CZ 3.41Å; L120-F130 WeakPolarHBondContact O-CZ 3.37Å; L120-F143 HydrophobicContact CD1-CE2 4.11Å; L120-F159 HydrophobicContact CB-CE2 3.57Å; L120-F159 HydrophobicContact CB-CZ 3.93Å; L120-F159 HydrophobicContact CD1-CE2 4.45Å; L120-D160 PolarHBondContact N-O 2.91Å; L120-D160 VanDerWaalsContact N-O 3.08Å; L120-D162 PolarHBondContact O-N 3.07Å
121	G	91.6	Very high	91.7	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126.2	-121.1	178.6	0	0	0	0	0	111.4	F125 D162	G121-F125 VanDerWaalsContact O-CB 3.23Å; G121-F125 WeakPolarHBondContact O-CB 3.42Å; G121-D162 CarbonylContact C-O 3.58Å; G121-D162 VanDerWaalsContact CA-O 3.28Å; G121-D162 WeakPolarHBondContact CA-O 3.28Å
122	G	90.3	Very high	91.9	Very high	1 Å²	1	54 Å²	54	1%	0.01	27%	0.274	C	S	.	.			trans	81.8	164.9	-174.5	0	0	0	0	0	113.2	S124 F125 D162 E164	G122-S124 VanDerWaalsContact C-N 3.32Å; G122-S124 PolarHBondContact O-N 2.88Å; G122-S124 VanDerWaalsContact O-N 3.16Å; G122-F125 WeakPolarHBondContact O-CB 3.34Å; G122-F125 PolarHBondContact O-N 3.41Å; G122-D162 VanDerWaalsContact CA-OD2 3.29Å; G122-D162 WeakPolarHBondContact CA-OD2 3.46Å; G122-D162 PolarHBondContact N-O 3.44Å; G122-D162 PolarHBondContact N-OD2 3.49Å; G122-E164 WeakPolarHBondContact CA-OE1 3.49Å
123	W	88.2	Confident	92.1	Very high	187 Å²	187	49.6 Å²	49.6	71%	0.708	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-43.3	-51.1	-176.5	-178.8	-107.2	0	0	0	114.7	F125 G126 E164 Y165	W123-F125 VanDerWaalsContact C-N 3.26Å; W123-F125 PolarHBondContact O-N 3.44Å; W123-G126 PolarHBondContact O-N 2.93Å; W123-E164 PolarHBondContact N-OE1 3.26Å; W123-Y165 HydrophobicContact CZ3-CE2 4.32Å
124	S	84.5	Confident	92	Very high	125 Å²	125	43.8 Å²	43.8	87%	0.874	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-69.3	-19.7	-176.2	-58.4	0	0	0	0	114	G122	G122-S124 VanDerWaalsContact C-N 3.32Å; G122-S124 PolarHBondContact O-N 2.88Å; G122-S124 VanDerWaalsContact O-N 3.16Å
125	F	89.7	Confident	91.6	Very high	39 Å²	39	47.8 Å²	47.8	17%	0.171	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-76.8	-29.2	177.1	-172.5	-96	0	0	0	112	T82 L83 L120 G121 G122 W123 K129 F130	T82-F125 WeakPolarHBondContact OG1-CE2 3.34Å; L83-F125 HydrophobicContact CB-CE2 4.35Å; L83-F125 HydrophobicContact CB-CZ 4.13Å; L83-F125 HydrophobicContact CD1-CZ 3.93Å; L83-F125 HydrophobicContact CG-CE2 4.4Å; L83-F125 HydrophobicContact CG-CZ 3.87Å; L120-F125 HydrophobicContact CD2-CE1 4.43Å; L120-F125 HydrophobicContact CD2-CZ 4.28Å; G121-F125 VanDerWaalsContact O-CB 3.23Å; G121-F125 WeakPolarHBondContact O-CB 3.42Å; G122-F125 WeakPolarHBondContact O-CB 3.34Å; G122-F125 PolarHBondContact O-N 3.41Å; W123-F125 VanDerWaalsContact C-N 3.26Å; W123-F125 PolarHBondContact O-N 3.44Å; F125-K129 HydrophobicContact CE1-CB 3.85Å; F125-K129 HydrophobicContact CE2-CD 4.07Å; F125-K129 HydrophobicContact CZ-CB 3.74Å; F125-K129 HydrophobicContact CZ-CD 3.8Å; F125-K129 HydrophobicContact CZ-CG 4.33Å; F125-F130 AromaticContact CD1-CD2 3.81Å; F125-F130 HydrophobicContact CD1-CD2 3.81Å; F125-F130 AromaticContact CD1-CE2 3.46Å; F125-F130 HydrophobicContact CD1-CE2 3.46Å; F125-F130 VanDerWaalsContact CD1-CE2 3.46Å; F125-F130 HydrophobicContact CD1-CZ 4.12Å; F125-F130 AromaticContact CE1-CD2 3.72Å; F125-F130 HydrophobicContact CE1-CD2 3.72Å; F125-F130 HydrophobicContact CE1-CE1 4.36Å; F125-F130 AromaticContact CE1-CE2 3.56Å; F125-F130 HydrophobicContact CE1-CE2 3.56Å; F125-F130 HydrophobicContact CE1-CG 4.21Å; F125-F130 AromaticContact CE1-CZ 3.91Å; F125-F130 HydrophobicContact CE1-CZ 3.91Å
126	G	87.9	Confident	91.3	Very high	24 Å²	24	46.4 Å²	46.4	25%	0.247	24%	0.242	C	C	.	.			trans	62	-163	-178	0	0	0	0	0	113.6	W123	W123-G126 PolarHBondContact O-N 2.93Å
127	T	90.3	Very high	90.8	Very high	39 Å²	39	50.4 Å²	50.4	24%	0.239	27%	0.27	C	S	.	.	S	Bend	trans	-102.8	-20	-169.3	64.5	0	0	0	0	114.4	K129 F130 K131 E164 Y165	T127-K129 PolarHBondContact O-N 3.28Å; T127-F130 PolarHBondContact O-N 2.9Å; T127-K131 WeakPolarHBondContact O-CG 3.35Å; T127-K131 PolarHBondContact O-N 2.96Å; T127-E164 VanDerWaalsContact CG2-O 3.28Å; T127-E164 WeakPolarHBondContact CG2-O 3.42Å; T127-Y165 VanDerWaalsContact CG2-O 3.27Å; T127-Y165 WeakPolarHBondContact CG2-O 3.43Å
128	K	90.6	Very high	90.4	Very high	182 Å²	182	58.6 Å²	58.6	79%	0.791	31%	0.306	S	S	*	.	H	α-helix	trans	-57.1	-48.2	-166.7	-176.3	178.9	178.5	-179.9	0	113.5	K132	K128-K132 PolarHBondContact O-N 3.22Å; K128-K132 VanDerWaalsContact O-N 3.11Å
129	K	91.9	Very high	90.2	Very high	62 Å²	62	60.4 Å²	60.4	27%	0.27	32%	0.316	S	S	.	.	H	α-helix	trans	-70	-38.6	-179	-71.5	-174.1	176	177.5	0	111.5	L83 Y87 F125 T127 K132 V133	L83-K129 HydrophobicContact CB-CD 4.07Å; L83-K129 HydrophobicContact CD1-CB 4.23Å; L83-K129 PolarHBondContact O-NZ 3.22Å; Y87-K129 HydrophobicContact CE1-CB 4.29Å; Y87-K129 HydrophobicContact CE1-CG 4.21Å; F125-K129 HydrophobicContact CE1-CB 3.85Å; F125-K129 HydrophobicContact CE2-CD 4.07Å; F125-K129 HydrophobicContact CZ-CB 3.74Å; F125-K129 HydrophobicContact CZ-CD 3.8Å; F125-K129 HydrophobicContact CZ-CG 4.33Å; T127-K129 PolarHBondContact O-N 3.28Å; K129-K132 PolarHBondContact O-N 3.09Å; K129-V133 WeakPolarHBondContact O-CG2 3.45Å; K129-V133 PolarHBondContact O-N 3.25Å
130	F	90.9	Very high	89.8	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-50.2	174	-74.8	-56.9	0	0	0	112.2	L120 F125 T127 K132 V133 A134 L161 W163	L120-F130 HydrophobicContact CD2-CE1 3.5Å; L120-F130 VanDerWaalsContact CD2-CE1 3.5Å; L120-F130 HydrophobicContact CD2-CZ 3.41Å; L120-F130 VanDerWaalsContact CD2-CZ 3.41Å; L120-F130 WeakPolarHBondContact O-CZ 3.37Å; F125-F130 AromaticContact CD1-CD2 3.81Å; F125-F130 HydrophobicContact CD1-CD2 3.81Å; F125-F130 AromaticContact CD1-CE2 3.46Å; F125-F130 HydrophobicContact CD1-CE2 3.46Å; F125-F130 VanDerWaalsContact CD1-CE2 3.46Å; F125-F130 HydrophobicContact CD1-CZ 4.12Å; F125-F130 AromaticContact CE1-CD2 3.72Å; F125-F130 HydrophobicContact CE1-CD2 3.72Å; F125-F130 HydrophobicContact CE1-CE1 4.36Å; F125-F130 AromaticContact CE1-CE2 3.56Å; F125-F130 HydrophobicContact CE1-CE2 3.56Å; F125-F130 HydrophobicContact CE1-CG 4.21Å; F125-F130 AromaticContact CE1-CZ 3.91Å; F125-F130 HydrophobicContact CE1-CZ 3.91Å; T127-F130 PolarHBondContact O-N 2.9Å; F130-K132 PolarHBondContact O-N 3.4Å; F130-V133 PolarHBondContact O-N 3.47Å; F130-A134 VanDerWaalsContact O-CB 3.23Å; F130-A134 WeakPolarHBondContact O-CB 3.35Å; F130-A134 PolarHBondContact O-N 2.89Å; F130-L161 HydrophobicContact CD1-CD1 4.11Å; F130-L161 HydrophobicContact CE1-CD1 3.34Å; F130-L161 HydrophobicContact CZ-CD1 3.74Å; F130-W163 HydrophobicContact CB-CD2 3.5Å; F130-W163 VanDerWaalsContact CB-CD2 3.5Å; F130-W163 HydrophobicContact CB-CE3 3.75Å; F130-W163 HydrophobicContact CB-CG 3.95Å; F130-W163 HydrophobicContact CB-CH2 4.2Å; F130-W163 HydrophobicContact CB-CZ2 3.99Å; F130-W163 HydrophobicContact CB-CZ3 4.09Å; F130-W163 HydrophobicContact CD1-CE3 4.49Å; F130-W163 HydrophobicContact CD2-CB 3.79Å; F130-W163 AromaticContact CD2-CD1 3.77Å; F130-W163 HydrophobicContact CD2-CD2 4.1Å; F130-W163 AromaticContact CD2-CG 3.59Å; F130-W163 HydrophobicContact CD2-CG 3.59Å; F130-W163 HydrophobicContact CE2-CB 3.87Å; F130-W163 HydrophobicContact CE2-CG 4.19Å; F130-W163 HydrophobicContact CG-CB 4.17Å; F130-W163 AromaticContact CG-CD2 3.85Å; F130-W163 HydrophobicContact CG-CD2 3.85Å; F130-W163 HydrophobicContact CG-CE3 4.15Å; F130-W163 AromaticContact CG-CG 3.83Å; F130-W163 HydrophobicContact CG-CG 3.83Å; F130-W163 HydrophobicContact CZ-CB 4.33Å
131	K	90.4	Very high	89.5	Confident	58 Å²	58	65.5 Å²	65.5	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-54.4	-41.6	175.3	-68.8	-170.6	179.3	-158.9	0	111.8	T127 S135 W163 D167 D171	T127-K131 WeakPolarHBondContact O-CG 3.35Å; T127-K131 PolarHBondContact O-N 2.96Å; K131-S135 VanDerWaalsContact O-CB 3.26Å; K131-S135 WeakPolarHBondContact O-CB 3.39Å; K131-S135 PolarHBondContact O-N 3.23Å; K131-S135 PolarHBondContact O-OG 2.88Å; K131-W163 HydrophobicContact CG-CH2 4.27Å; K131-W163 HydrophobicContact CG-CZ2 3.62Å; K131-D167 IonicContact NZ-OD1 2.67Å; K131-D167 PolarHBondContact NZ-OD1 3.36Å; K131-D171 WeakPolarHBondContact CE-OD1 3.45Å; K131-D171 WeakPolarHBondContact CE-OD2 3.11Å; K131-D171 WeakPolarHBondContact CG-OD1 3.29Å; K131-D171 IonicContact NZ-OD2 2.73Å; K131-D171 PolarHBondContact NZ-OD2 3.49Å
132	K	91.4	Very high	89.5	Confident	104 Å²	104	67.6 Å²	67.6	45%	0.452	36%	0.355	S	S	.	.	H	α-helix	trans	-68.3	-43.6	179.1	-172.3	59.2	171.7	-175.3	0	113.4	Y87 K128 K129 F130 S135 L139	Y87-K132 HydrophobicContact CE1-CB 3.89Å; Y87-K132 HydrophobicContact CE1-CG 3.77Å; Y87-K132 HydrophobicContact CE2-CG 4.38Å; Y87-K132 WeakPolarHBondContact OH-CG 3.22Å; K128-K132 PolarHBondContact O-N 3.22Å; K128-K132 VanDerWaalsContact O-N 3.11Å; K129-K132 PolarHBondContact O-N 3.09Å; F130-K132 PolarHBondContact O-N 3.4Å; K132-S135 PolarHBondContact O-OG 3.37Å; K132-S135 VanDerWaalsContact O-OG 3.06Å; K132-L139 HydrophobicContact CD-CD1 4.4Å; K132-L139 HydrophobicContact CG-CD1 4.02Å
133	V	90.7	Very high	89.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.012	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-44.7	175.6	172.5	0	0	0	0	110.5	L83 Y87 K129 F130 S135 S136 K140 F143 I177	L83-V133 HydrophobicContact CD1-CG2 4.09Å; Y87-V133 HydrophobicContact CD1-CG2 3.51Å; Y87-V133 HydrophobicContact CE1-CG2 4.44Å; Y87-V133 HydrophobicContact CG-CG2 3.97Å; K129-V133 WeakPolarHBondContact O-CG2 3.45Å; K129-V133 PolarHBondContact O-N 3.25Å; F130-V133 PolarHBondContact O-N 3.47Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 2.76Å; V133-S136 PolarHBondContact O-N 3.1Å; V133-K140 PolarHBondContact O-N 3.42Å; V133-F143 HydrophobicContact CG1-CB 3.67Å; V133-F143 HydrophobicContact CG1-CD1 3.95Å; V133-F143 HydrophobicContact CG1-CG 3.83Å; V133-I177 HydrophobicContact CG1-CD1 3.93Å
134	A	87	Confident	89.8	Confident	8 Å²	8	58.9 Å²	58.9	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-74.1	-26.2	-171.4	0	0	0	0	0	113	F130 W163 A174	F130-A134 VanDerWaalsContact O-CB 3.23Å; F130-A134 WeakPolarHBondContact O-CB 3.35Å; F130-A134 PolarHBondContact O-N 2.89Å; A134-W163 HydrophobicContact CB-CH2 4.27Å; A134-W163 HydrophobicContact CB-CZ3 4.14Å; A134-A174 HydrophobicContact CB-CB 3.35Å
135	S	85.9	Confident	90.2	Very high	85 Å²	85	55.5 Å²	55.5	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.3	176.2	55.3	0	0	0	0	115.5	K131 K132 V133	K131-S135 VanDerWaalsContact O-CB 3.26Å; K131-S135 WeakPolarHBondContact O-CB 3.39Å; K131-S135 PolarHBondContact O-N 3.23Å; K131-S135 PolarHBondContact O-OG 2.88Å; K132-S135 PolarHBondContact O-OG 3.37Å; K132-S135 VanDerWaalsContact O-OG 3.06Å; V133-S135 VanDerWaalsContact C-N 3.34Å; V133-S135 PolarHBondContact O-N 2.76Å
136	S	88.8	Confident	90.4	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	29%	0.294	S	S	.	.			trans	-129.1	118	180	175.6	0	0	0	0	111.5	V133 K138 L139 K140	V133-S136 PolarHBondContact O-N 3.1Å; S136-K138 PolarHBondContact O-N 3.48Å; S136-L139 PolarHBondContact O-N 3.21Å; S136-L139 VanDerWaalsContact O-N 3.11Å; S136-L139 PolarHBondContact OG-N 3.39Å; S136-K140 VanDerWaalsContact O-CB 3.32Å; S136-K140 WeakPolarHBondContact O-CB 3.48Å; S136-K140 PolarHBondContact O-N 2.92Å
137	S	86.5	Confident	90.8	Very high	88 Å²	88	52.6 Å²	52.6	62%	0.615	28%	0.282	S	S	*	.	H	α-helix	trans	-55.6	-35.8	175.9	-58.7	0	0	0	0	112.6	N141	S137-N141 WeakPolarHBondContact O-CB 3.25Å; S137-N141 PolarHBondContact O-N 3.2Å; S137-N141 PolarHBondContact O-ND2 2.91Å
138	K	91	Very high	90.8	Very high	173 Å²	173	52 Å²	52	75%	0.752	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-49.2	175.5	-175.6	-179.8	178.8	-179.2	0	111.9	S136 N141 S142	S136-K138 PolarHBondContact O-N 3.48Å; K138-N141 PolarHBondContact O-N 3.27Å; K138-S142 PolarHBondContact O-N 2.91Å
139	L	92.2	Very high	91	Very high	38 Å²	38	50.1 Å²	50.1	20%	0.199	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-40.3	178.9	-66.2	178.6	0	0	0	111.4	Y87 K132 S136 N141 S142 F143	Y87-L139 HydrophobicContact CD2-CD1 4.39Å; Y87-L139 HydrophobicContact CD2-CD2 4.12Å; K132-L139 HydrophobicContact CD-CD1 4.4Å; K132-L139 HydrophobicContact CG-CD1 4.02Å; S136-L139 PolarHBondContact O-N 3.21Å; S136-L139 VanDerWaalsContact O-N 3.11Å; S136-L139 PolarHBondContact OG-N 3.39Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-N141 PolarHBondContact O-N 2.92Å; L139-S142 PolarHBondContact O-N 3.29Å; L139-F143 VanDerWaalsContact O-CB 3.27Å; L139-F143 WeakPolarHBondContact O-CB 3.46Å; L139-F143 PolarHBondContact O-N 3.15Å
140	K	89.9	Confident	91.2	Very high	35 Å²	35	48.2 Å²	48.2	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-54.2	-49.5	173.6	-171.1	-178.6	-63	179.9	0	111.3	V133 S136 F143 V144 I177	V133-K140 PolarHBondContact O-N 3.42Å; S136-K140 VanDerWaalsContact O-CB 3.32Å; S136-K140 WeakPolarHBondContact O-CB 3.48Å; S136-K140 PolarHBondContact O-N 2.92Å; K140-F143 PolarHBondContact O-N 3.42Å; K140-V144 VanDerWaalsContact O-CG2 3.27Å; K140-V144 WeakPolarHBondContact O-CG2 3.35Å; K140-V144 PolarHBondContact O-N 2.94Å; K140-I177 HydrophobicContact CD-CG1 4.49Å; K140-I177 HydrophobicContact CG-CD1 4.26Å; K140-I177 HydrophobicContact CG-CG1 4.01Å
141	N	89.3	Confident	91.3	Very high	71 Å²	71	47.8 Å²	47.8	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-42.3	178.1	-71	-20.2	0	0	0	112.5	S137 K138 L139 V144 A145	S137-N141 WeakPolarHBondContact O-CB 3.25Å; S137-N141 PolarHBondContact O-N 3.2Å; S137-N141 PolarHBondContact O-ND2 2.91Å; K138-N141 PolarHBondContact O-N 3.27Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-N141 PolarHBondContact O-N 2.92Å; N141-V144 PolarHBondContact O-N 3.38Å; N141-A145 WeakPolarHBondContact O-CB 3.24Å; N141-A145 PolarHBondContact O-N 3.42Å
142	S	91.8	Very high	91.4	Very high	50 Å²	50	48.2 Å²	48.2	35%	0.35	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-45.4	177.6	-166.8	0	0	0	0	112	K138 L139 A145 S146	K138-S142 PolarHBondContact O-N 2.91Å; L139-S142 PolarHBondContact O-N 3.29Å; S142-A145 PolarHBondContact O-N 3.48Å; S142-S146 WeakPolarHBondContact O-CB 3.35Å; S142-S146 PolarHBondContact O-N 2.71Å
143	F	93.8	Very high	91.5	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-51.9	176.1	164.5	-103.5	0	0	0	110.7	L83 V89 L120 V133 L139 K140 A145 S146 L147 F159 I177 I181	L83-F143 HydrophobicContact CD1-CD2 4.49Å; L83-F143 HydrophobicContact CD2-CD2 3.69Å; L83-F143 HydrophobicContact CD2-CE2 3.69Å; V89-F143 HydrophobicContact CG2-CD2 4.06Å; V89-F143 HydrophobicContact CG2-CE2 3.63Å; L120-F143 HydrophobicContact CD1-CE2 4.11Å; V133-F143 HydrophobicContact CG1-CB 3.67Å; V133-F143 HydrophobicContact CG1-CD1 3.95Å; V133-F143 HydrophobicContact CG1-CG 3.83Å; L139-F143 VanDerWaalsContact O-CB 3.27Å; L139-F143 WeakPolarHBondContact O-CB 3.46Å; L139-F143 PolarHBondContact O-N 3.15Å; K140-F143 PolarHBondContact O-N 3.42Å; F143-A145 VanDerWaalsContact C-N 3.33Å; F143-A145 PolarHBondContact O-N 3.28Å; F143-S146 PolarHBondContact O-N 3.13Å; F143-S146 VanDerWaalsContact O-N 3.11Å; F143-S146 PolarHBondContact O-OG 2.74Å; F143-L147 HydrophobicContact CE1-CD2 4.38Å; F143-L147 HydrophobicContact CZ-CD2 4.26Å; F143-L147 WeakPolarHBondContact O-CB 3.47Å; F143-L147 PolarHBondContact O-N 3.03Å; F143-F159 HydrophobicContact CZ-CZ 4.19Å; F143-I177 HydrophobicContact CD1-CD1 3.68Å; F143-I177 HydrophobicContact CD1-CG1 4.5Å; F143-I177 HydrophobicContact CE1-CD1 3.68Å; F143-I177 HydrophobicContact CE1-CG1 4.41Å; F143-I181 HydrophobicContact CE1-CD1 4.41Å
144	V	91.7	Very high	91.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-40.4	-179.4	176.1	0	0	0	0	111.5	K140 N141 S146 L147 M148 I177 R180 I181 E184	K140-V144 VanDerWaalsContact O-CG2 3.27Å; K140-V144 WeakPolarHBondContact O-CG2 3.35Å; K140-V144 PolarHBondContact O-N 2.94Å; N141-V144 PolarHBondContact O-N 3.38Å; V144-S146 PolarHBondContact O-N 3.41Å; V144-L147 PolarHBondContact O-N 2.93Å; V144-M148 HydrophobicContact CG1-CE 4.44Å; V144-M148 HydrophobicContact CG1-CG 4.37Å; V144-M148 VanDerWaalsContact O-CG 3.27Å; V144-M148 WeakPolarHBondContact O-CG 3.28Å; V144-M148 PolarHBondContact O-N 2.9Å; V144-I177 HydrophobicContact CG2-CG1 4.46Å; V144-R180 HydrophobicContact CB-CG 4.32Å; V144-R180 HydrophobicContact CG1-CG 4.27Å; V144-R180 HydrophobicContact CG2-CB 4.44Å; V144-R180 HydrophobicContact CG2-CG 3.91Å; V144-I181 HydrophobicContact CG1-CG1 4.31Å; V144-I181 HydrophobicContact CG2-CG1 3.76Å; V144-E184 HydrophobicContact CG1-CB 4.09Å; V144-E184 HydrophobicContact CG1-CG 3.72Å
145	A	91.8	Very high	91.9	Very high	54 Å²	54	53.4 Å²	53.4	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-42.2	174.7	0	0	0	0	0	112.1	N141 S142 F143 R149	N141-A145 WeakPolarHBondContact O-CB 3.24Å; N141-A145 PolarHBondContact O-N 3.42Å; S142-A145 PolarHBondContact O-N 3.48Å; F143-A145 VanDerWaalsContact C-N 3.33Å; F143-A145 PolarHBondContact O-N 3.28Å; A145-R149 WeakPolarHBondContact O-CB 3.34Å; A145-R149 PolarHBondContact O-N 2.88Å; A145-R149 VanDerWaalsContact O-N 3.09Å
146	S	95.5	Very high	92.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-42.6	176.7	80.2	0	0	0	0	112	E88 V89 S142 F143 V144 R149 F150	E88-S146 WeakPolarHBondContact CA-OG 3.49Å; V89-S146 PolarHBondContact N-OG 2.72Å; S142-S146 WeakPolarHBondContact O-CB 3.35Å; S142-S146 PolarHBondContact O-N 2.71Å; F143-S146 PolarHBondContact O-N 3.13Å; F143-S146 VanDerWaalsContact O-N 3.11Å; F143-S146 PolarHBondContact O-OG 2.74Å; V144-S146 PolarHBondContact O-N 3.41Å; S146-R149 PolarHBondContact O-N 3.43Å; S146-F150 WeakPolarHBondContact O-CB 3.33Å; S146-F150 PolarHBondContact O-N 2.97Å
147	L	94.8	Very high	92.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-51.5	176.8	173.9	63.1	0	0	0	110.4	V89 F143 V144 R149 F150 L151 F159 I181	V89-L147 HydrophobicContact CG2-CB 3.89Å; V89-L147 HydrophobicContact CG2-CD1 4.04Å; F143-L147 HydrophobicContact CE1-CD2 4.38Å; F143-L147 HydrophobicContact CZ-CD2 4.26Å; F143-L147 WeakPolarHBondContact O-CB 3.47Å; F143-L147 PolarHBondContact O-N 3.03Å; V144-L147 PolarHBondContact O-N 2.93Å; L147-R149 VanDerWaalsContact C-N 3.28Å; L147-R149 PolarHBondContact O-N 2.88Å; L147-F150 PolarHBondContact O-N 2.87Å; L147-F150 VanDerWaalsContact O-N 3.08Å; L147-L151 HydrophobicContact CD1-CD1 3.87Å; L147-L151 HydrophobicContact CD1-CD2 4.14Å; L147-L151 HydrophobicContact CD1-CG 3.83Å; L147-L151 HydrophobicContact CG-CD1 3.91Å; L147-L151 HydrophobicContact CG-CG 4.27Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.45Å; L147-L151 PolarHBondContact O-N 3.41Å; L147-F159 HydrophobicContact CD1-CB 4.43Å; L147-F159 HydrophobicContact CD1-CD2 3.42Å; L147-F159 VanDerWaalsContact CD1-CD2 3.42Å; L147-F159 HydrophobicContact CD1-CE2 3.69Å; L147-F159 HydrophobicContact CD1-CG 3.9Å; L147-F159 HydrophobicContact CD1-CZ 4.39Å; L147-F159 HydrophobicContact CD2-CB 4.37Å; L147-F159 HydrophobicContact CD2-CD1 3.65Å; L147-F159 HydrophobicContact CD2-CD2 4.03Å; L147-F159 HydrophobicContact CD2-CE1 3.85Å; L147-F159 HydrophobicContact CD2-CE2 4.21Å; L147-F159 HydrophobicContact CD2-CG 3.74Å; L147-F159 HydrophobicContact CD2-CZ 4.13Å; L147-F159 HydrophobicContact CG-CD2 4.34Å; L147-F159 HydrophobicContact CG-CG 4.38Å; L147-I181 HydrophobicContact CD2-CD1 4.15Å; L147-I181 HydrophobicContact CD2-CG1 4.35Å
148	M	91.6	Very high	93	Very high	25 Å²	25	45.4 Å²	45.4	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-40	179.4	-70.2	-65.8	160	0	0	112.1	V144 R152 I181 E184 K185 L193	V144-M148 HydrophobicContact CG1-CE 4.44Å; V144-M148 HydrophobicContact CG1-CG 4.37Å; V144-M148 VanDerWaalsContact O-CG 3.27Å; V144-M148 WeakPolarHBondContact O-CG 3.28Å; V144-M148 PolarHBondContact O-N 2.9Å; M148-R152 WeakPolarHBondContact O-CB 3.41Å; M148-R152 WeakPolarHBondContact O-CG 3.48Å; M148-R152 PolarHBondContact O-N 3.06Å; M148-I181 HydrophobicContact CE-CG2 3.82Å; M148-E184 HydrophobicContact CE-CB 3.71Å; M148-E184 HydrophobicContact CG-CB 4.19Å; M148-E184 HydrophobicContact SD-CB 4.3Å; M148-K185 HydrophobicContact CE-CB 4.29Å; M148-L193 HydrophobicContact SD-CD1 3.8Å
149	R	93.4	Very high	93.3	Very high	143 Å²	143	37.3 Å²	37.3	54%	0.54	19%	0.187	S	C	.	.	H	α-helix	trans	-64.7	-43.8	175.1	-179	173.2	56.5	-131.9	0.3	111.5	E88 A145 S146 L147 K153	E88-R149 IonicContact OE1-NH2 3.72Å; E88-R149 PolarHBondContact OE1-NH2 3.37Å; A145-R149 WeakPolarHBondContact O-CB 3.34Å; A145-R149 PolarHBondContact O-N 2.88Å; A145-R149 VanDerWaalsContact O-N 3.09Å; S146-R149 PolarHBondContact O-N 3.43Å; L147-R149 VanDerWaalsContact C-N 3.28Å; L147-R149 PolarHBondContact O-N 2.88Å; R149-K153 VanDerWaalsContact O-CB 3.27Å; R149-K153 WeakPolarHBondContact O-CB 3.5Å; R149-K153 PolarHBondContact O-N 2.97Å
150	F	95.8	Very high	93.5	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.096	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-51.3	-179.3	-163.3	-81.9	0	0	0	112	V89 T91 Y101 L118 S146 L147 R152 K153 H154 F156	V89-F150 HydrophobicContact CB-CB 4.38Å; V89-F150 HydrophobicContact CB-CG 4.43Å; V89-F150 HydrophobicContact CG1-CB 4.22Å; V89-F150 HydrophobicContact CG1-CD1 4.1Å; V89-F150 HydrophobicContact CG1-CD2 4.14Å; V89-F150 HydrophobicContact CG1-CG 3.9Å; T91-F150 HydrophobicContact CG2-CZ 4.13Å; Y101-F150 AromaticContact CE2-CE1 3.82Å; Y101-F150 HydrophobicContact CE2-CE1 3.82Å; Y101-F150 AromaticContact CE2-CZ 3.87Å; Y101-F150 HydrophobicContact CE2-CZ 3.87Å; L118-F150 HydrophobicContact CD1-CE1 4.45Å; L118-F150 HydrophobicContact CD2-CD1 3.57Å; L118-F150 HydrophobicContact CD2-CE1 3.69Å; S146-F150 WeakPolarHBondContact O-CB 3.33Å; S146-F150 PolarHBondContact O-N 2.97Å; L147-F150 PolarHBondContact O-N 2.87Å; L147-F150 VanDerWaalsContact O-N 3.08Å; F150-R152 VanDerWaalsContact C-N 3.31Å; F150-R152 PolarHBondContact O-N 3.5Å; F150-K153 PolarHBondContact O-N 3.49Å; F150-H154 AromaticContact CD1-CD2 3.88Å; F150-H154 AromaticContact CE1-CD2 3.75Å; F150-H154 AromaticContact CZ-CD2 3.89Å; F150-H154 PolarHBondContact O-CD2 2.95Å; F150-H154 PolarHBondContact O-N 3.5Å; F150-F156 HydrophobicContact CE1-CE2 4.29Å
151	L	94.7	Very high	93.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-45.8	179.6	-65.7	174.6	0	0	0	111.7	L118 L147 S155 F156 G158 F159 L193	L118-L151 HydrophobicContact CB-CD2 3.68Å; L118-L151 HydrophobicContact CD2-CD2 4.06Å; L147-L151 HydrophobicContact CD1-CD1 3.87Å; L147-L151 HydrophobicContact CD1-CD2 4.14Å; L147-L151 HydrophobicContact CD1-CG 3.83Å; L147-L151 HydrophobicContact CG-CD1 3.91Å; L147-L151 HydrophobicContact CG-CG 4.27Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.45Å; L147-L151 PolarHBondContact O-N 3.41Å; L151-S155 PolarHBondContact O-N 3.14Å; L151-F156 HydrophobicContact CB-CB 4.29Å; L151-F156 HydrophobicContact CD2-CB 3.73Å; L151-F156 HydrophobicContact CD2-CD2 4.24Å; L151-F156 HydrophobicContact CD2-CG 4.09Å; L151-F156 PolarHBondContact O-N 3.37Å; L151-G158 WeakPolarHBondContact CD2-O 3.23Å; L151-F159 HydrophobicContact CD1-CB 3.98Å; L151-F159 HydrophobicContact CD2-CB 4.47Å; L151-L193 HydrophobicContact CD1-CD1 3.94Å
152	R	91.6	Very high	94	Very high	66 Å²	66	31 Å²	31	25%	0.249	16%	0.155	C	C	.	.	H	α-helix	trans	-70.4	-39.1	-179.1	-62.2	-64.2	-174.6	-173.2	5.4	112.1	M148 F150 H154 S155 P191	M148-R152 WeakPolarHBondContact O-CB 3.41Å; M148-R152 WeakPolarHBondContact O-CG 3.48Å; M148-R152 PolarHBondContact O-N 3.06Å; F150-R152 VanDerWaalsContact C-N 3.31Å; F150-R152 PolarHBondContact O-N 3.5Å; R152-H154 VanDerWaalsContact C-N 3.31Å; R152-H154 PolarHBondContact O-N 3.18Å; R152-S155 PolarHBondContact O-N 3.12Å; R152-P191 VanDerWaalsContact CZ-O 3.28Å; R152-P191 PolarHBondContact NH1-O 2.95Å; R152-P191 PolarHBondContact NH2-O 3.13Å
153	K	93.9	Very high	94.1	Very high	155 Å²	155	28.9 Å²	28.9	67%	0.674	14%	0.14	S	C	*	.	H	α-helix	trans	-60.3	-42.4	176.7	-178.6	-178.8	175	-169	0	111.4	R149 F150	R149-K153 VanDerWaalsContact O-CB 3.27Å; R149-K153 WeakPolarHBondContact O-CB 3.5Å; R149-K153 PolarHBondContact O-N 2.97Å; F150-K153 PolarHBondContact O-N 3.49Å
154	H	93.6	Very high	94	Very high	21 Å²	21	29.9 Å²	29.9	10%	0.097	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	12	-175.4	-64.3	-73.6	0	0	0	114	Y101 F150 R152 F156	Y101-H154 HydrophobicContact CD2-CB 4.38Å; F150-H154 AromaticContact CD1-CD2 3.88Å; F150-H154 AromaticContact CE1-CD2 3.75Å; F150-H154 AromaticContact CZ-CD2 3.89Å; F150-H154 PolarHBondContact O-CD2 2.95Å; F150-H154 PolarHBondContact O-N 3.5Å; R152-H154 VanDerWaalsContact C-N 3.31Å; R152-H154 PolarHBondContact O-N 3.18Å; H154-F156 VanDerWaalsContact C-N 3.3Å; H154-F156 HydrophobicContact CB-CD2 3.72Å; H154-F156 HydrophobicContact CB-CE2 3.56Å; H154-F156 PolarHBondContact O-N 2.83Å
155	S	91.5	Very high	93.9	Very high	48 Å²	48	31.7 Å²	31.7	34%	0.336	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	32.7	173.8	-51	0	0	0	0	115	K108 L151 R152	K108-S155 PolarHBondContact NZ-O 3.03Å; L151-S155 PolarHBondContact O-N 3.14Å; R152-S155 PolarHBondContact O-N 3.12Å
156	F	95.3	Very high	93.8	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.048	13%	0.13	C	C	.	.			trans	-71.3	146.9	172.2	-75	-80.1	0	0	0	111.5	L78 Y101 V116 L118 F150 L151 H154 L193	L78-F156 HydrophobicContact CB-CE1 4.45Å; L78-F156 HydrophobicContact CD1-CE1 3.85Å; L78-F156 HydrophobicContact CD1-CZ 4.1Å; L78-F156 HydrophobicContact CG-CE1 4.34Å; Y101-F156 AromaticContact CD1-CZ 3.82Å; Y101-F156 HydrophobicContact CD1-CZ 3.82Å; Y101-F156 AromaticContact CD2-CE2 3.97Å; Y101-F156 HydrophobicContact CD2-CE2 3.97Å; Y101-F156 AromaticContact CD2-CZ 3.97Å; Y101-F156 HydrophobicContact CD2-CZ 3.97Å; Y101-F156 HydrophobicContact CE1-CZ 4.05Å; Y101-F156 HydrophobicContact CE2-CE2 4.2Å; Y101-F156 HydrophobicContact CE2-CZ 4.16Å; Y101-F156 HydrophobicContact CG-CE2 4.21Å; Y101-F156 AromaticContact CG-CZ 3.8Å; Y101-F156 HydrophobicContact CG-CZ 3.8Å; V116-F156 HydrophobicContact CG1-CD1 4.04Å; V116-F156 HydrophobicContact CG1-CE1 3.93Å; V116-F156 WeakPolarHBondContact O-CD1 3.29Å; L118-F156 HydrophobicContact CB-CD1 3.93Å; L118-F156 HydrophobicContact CB-CD2 4.27Å; L118-F156 HydrophobicContact CB-CE1 3.94Å; L118-F156 HydrophobicContact CB-CE2 4.28Å; L118-F156 HydrophobicContact CB-CG 4.11Å; L118-F156 HydrophobicContact CB-CZ 4.14Å; L118-F156 HydrophobicContact CD1-CE1 4.1Å; L118-F156 HydrophobicContact CD1-CE2 4.03Å; L118-F156 HydrophobicContact CD1-CZ 3.66Å; L118-F156 HydrophobicContact CG-CZ 4.45Å; F150-F156 HydrophobicContact CE1-CE2 4.29Å; L151-F156 HydrophobicContact CB-CB 4.29Å; L151-F156 HydrophobicContact CD2-CB 3.73Å; L151-F156 HydrophobicContact CD2-CD2 4.24Å; L151-F156 HydrophobicContact CD2-CG 4.09Å; L151-F156 PolarHBondContact O-N 3.37Å; H154-F156 VanDerWaalsContact C-N 3.3Å; H154-F156 HydrophobicContact CB-CD2 3.72Å; H154-F156 HydrophobicContact CB-CE2 3.56Å; H154-F156 PolarHBondContact O-N 2.83Å; F156-L193 WeakPolarHBondContact O-CD2 3.25Å
157	D	94.8	Very high	93.4	Very high	34 Å²	34	33 Å²	33	18%	0.182	15%	0.15	C	C	.	.	S	Bend	trans	-86	-12.8	175.2	-56.2	-63.1	0	0	0	112.6	K108 K115 V116 L193 I194	K108-D157 WeakPolarHBondContact CE-OD2 3.37Å; K108-D157 IonicContact NZ-OD1 3.66Å; K108-D157 PolarHBondContact NZ-OD1 3.39Å; K108-D157 IonicContact NZ-OD2 3.69Å; K108-D157 PolarHBondContact NZ-OD2 2.86Å; K115-D157 VanDerWaalsContact CA-OD2 3.31Å; K115-D157 WeakPolarHBondContact CA-OD2 3.28Å; K115-D157 HydrophobicContact CB-CB 4.13Å; K115-D157 HydrophobicContact CD-CB 3.99Å; V116-D157 PolarHBondContact N-OD2 2.89Å; V116-D157 PolarHBondContact O-N 3.17Å; D157-L193 CarbonylContact O-C 3.39Å; D157-L193 VanDerWaalsContact O-CA 3.26Å; D157-L193 WeakPolarHBondContact O-CA 3.24Å; D157-I194 PolarHBondContact O-N 2.79Å
158	G	95.1	Very high	93	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-173.1	-178.4	0	0	0	0	0	114.6	L117 L118 L151 I194	L117-G158 WeakPolarHBondContact CA-O 3.34Å; L118-G158 PolarHBondContact N-O 3.32Å; L118-G158 VanDerWaalsContact N-O 3.1Å; L151-G158 WeakPolarHBondContact CD2-O 3.23Å; G158-I194 CarbonylContact C-O 3.56Å; G158-I194 WeakPolarHBondContact CA-O 3.49Å
159	F	96.4	Very high	92.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.6	-177.4	177.5	-115.6	0	0	0	110.3	L118 L120 F143 L147 L151 L161 I181 I194 L195 T196	L118-F159 WeakPolarHBondContact O-CA 3.31Å; L118-F159 VanDerWaalsContact O-CD2 3.26Å; L118-F159 WeakPolarHBondContact O-CD2 3.45Å; L120-F159 HydrophobicContact CB-CE2 3.57Å; L120-F159 HydrophobicContact CB-CZ 3.93Å; L120-F159 HydrophobicContact CD1-CE2 4.45Å; F143-F159 HydrophobicContact CZ-CZ 4.19Å; L147-F159 HydrophobicContact CD1-CB 4.43Å; L147-F159 HydrophobicContact CD1-CD2 3.42Å; L147-F159 VanDerWaalsContact CD1-CD2 3.42Å; L147-F159 HydrophobicContact CD1-CE2 3.69Å; L147-F159 HydrophobicContact CD1-CG 3.9Å; L147-F159 HydrophobicContact CD1-CZ 4.39Å; L147-F159 HydrophobicContact CD2-CB 4.37Å; L147-F159 HydrophobicContact CD2-CD1 3.65Å; L147-F159 HydrophobicContact CD2-CD2 4.03Å; L147-F159 HydrophobicContact CD2-CE1 3.85Å; L147-F159 HydrophobicContact CD2-CE2 4.21Å; L147-F159 HydrophobicContact CD2-CG 3.74Å; L147-F159 HydrophobicContact CD2-CZ 4.13Å; L147-F159 HydrophobicContact CG-CD2 4.34Å; L147-F159 HydrophobicContact CG-CG 4.38Å; L151-F159 HydrophobicContact CD1-CB 3.98Å; L151-F159 HydrophobicContact CD2-CB 4.47Å; F159-L161 HydrophobicContact CE1-CB 3.89Å; F159-L161 HydrophobicContact CE1-CD1 4.29Å; F159-L161 HydrophobicContact CZ-CB 4.39Å; F159-L161 HydrophobicContact CZ-CD1 4.28Å; F159-I181 HydrophobicContact CD1-CD1 4.11Å; F159-I181 HydrophobicContact CE1-CD1 3.98Å; F159-I194 PolarHBondContact N-O 2.88Å; F159-L195 HydrophobicContact CB-CD1 4.47Å; F159-L195 HydrophobicContact CD1-CD1 3.77Å; F159-L195 WeakPolarHBondContact O-CA 3.31Å; F159-T196 PolarHBondContact O-N 2.87Å
160	D	97.2	Very high	92.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.5	174.1	178.9	69.3	0	0	0	109.4	Y49 F77 L118 S119 L120 T196 N223	Y49-D160 PolarHBondContact OH-OD2 3.46Å; Y49-D160 VanDerWaalsContact OH-OD2 3.09Å; F77-D160 HydrophobicContact CD1-CB 3.72Å; F77-D160 HydrophobicContact CE1-CB 4.22Å; L118-D160 PolarHBondContact O-N 3.07Å; S119-D160 WeakPolarHBondContact CA-O 3.47Å; S119-D160 WeakPolarHBondContact CB-OD2 3.47Å; S119-D160 PolarHBondContact OG-OD2 2.86Å; L120-D160 PolarHBondContact N-O 2.91Å; L120-D160 VanDerWaalsContact N-O 3.08Å; D160-T196 WeakPolarHBondContact CA-O 3.23Å; D160-T196 WeakPolarHBondContact CA-OG1 3.44Å; D160-T196 WeakPolarHBondContact CB-OG1 3.49Å; D160-T196 VanDerWaalsContact CG-OG1 3.31Å; D160-T196 WeakPolarHBondContact OD1-CB 3.18Å; D160-T196 PolarHBondContact OD1-OG1 3.21Å; D160-N223 PolarHBondContact OD1-ND2 2.94Å
161	L	95.1	Very high	91.6	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.4	178.4	177.8	63.3	0	0	0	109.9	F130 F159 M175 I177 T196 A197 A198	F130-L161 HydrophobicContact CD1-CD1 4.11Å; F130-L161 HydrophobicContact CE1-CD1 3.34Å; F130-L161 HydrophobicContact CZ-CD1 3.74Å; F159-L161 HydrophobicContact CE1-CB 3.89Å; F159-L161 HydrophobicContact CE1-CD1 4.29Å; F159-L161 HydrophobicContact CZ-CB 4.39Å; F159-L161 HydrophobicContact CZ-CD1 4.28Å; L161-M175 HydrophobicContact CD2-CE 4.33Å; L161-I177 HydrophobicContact CD2-CG2 4.27Å; L161-T196 PolarHBondContact N-O 2.88Å; L161-A197 HydrophobicContact CB-CB 4.38Å; L161-A197 CarbonylContact O-C 3.46Å; L161-A197 VanDerWaalsContact O-CA 3.24Å; L161-A197 WeakPolarHBondContact O-CA 3.37Å; L161-A198 PolarHBondContact O-N 3.39Å
162	D	95.1	Very high	91	Very high	2 Å²	2	41 Å²	41	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	73	178.8	-168.9	7.2	0	0	0	111.5	F80 L120 G121 G122 E164 A198	F80-D162 HydrophobicContact CE1-CB 4Å; F80-D162 VanDerWaalsContact CE1-OD2 3.24Å; F80-D162 WeakPolarHBondContact CE1-OD2 3.1Å; F80-D162 VanDerWaalsContact CZ-OD2 3.23Å; F80-D162 WeakPolarHBondContact CZ-OD2 3.29Å; L120-D162 PolarHBondContact O-N 3.07Å; G121-D162 CarbonylContact C-O 3.58Å; G121-D162 VanDerWaalsContact CA-O 3.28Å; G121-D162 WeakPolarHBondContact CA-O 3.28Å; G122-D162 VanDerWaalsContact CA-OD2 3.29Å; G122-D162 WeakPolarHBondContact CA-OD2 3.46Å; G122-D162 PolarHBondContact N-O 3.44Å; G122-D162 PolarHBondContact N-OD2 3.49Å; D162-E164 VanDerWaalsContact OD1-CG 3.29Å; D162-E164 WeakPolarHBondContact OD1-CG 3.32Å; D162-A198 HydrophobicContact CB-CB 3.96Å; D162-A198 WeakPolarHBondContact OD1-CB 3.38Å
163	W	93.2	Very high	90.3	Very high	6 Å²	6	45 Å²	45	2%	0.023	22%	0.216	C	C	.	.			trans	-90.5	105.1	177.1	-179.2	-8.2	0	0	0	110	F130 K131 A134 Y165 P166 D171 A174 M175	F130-W163 HydrophobicContact CB-CD2 3.5Å; F130-W163 VanDerWaalsContact CB-CD2 3.5Å; F130-W163 HydrophobicContact CB-CE3 3.75Å; F130-W163 HydrophobicContact CB-CG 3.95Å; F130-W163 HydrophobicContact CB-CH2 4.2Å; F130-W163 HydrophobicContact CB-CZ2 3.99Å; F130-W163 HydrophobicContact CB-CZ3 4.09Å; F130-W163 HydrophobicContact CD1-CE3 4.49Å; F130-W163 HydrophobicContact CD2-CB 3.79Å; F130-W163 AromaticContact CD2-CD1 3.77Å; F130-W163 HydrophobicContact CD2-CD2 4.1Å; F130-W163 AromaticContact CD2-CG 3.59Å; F130-W163 HydrophobicContact CD2-CG 3.59Å; F130-W163 HydrophobicContact CE2-CB 3.87Å; F130-W163 HydrophobicContact CE2-CG 4.19Å; F130-W163 HydrophobicContact CG-CB 4.17Å; F130-W163 AromaticContact CG-CD2 3.85Å; F130-W163 HydrophobicContact CG-CD2 3.85Å; F130-W163 HydrophobicContact CG-CE3 4.15Å; F130-W163 AromaticContact CG-CG 3.83Å; F130-W163 HydrophobicContact CG-CG 3.83Å; F130-W163 HydrophobicContact CZ-CB 4.33Å; K131-W163 HydrophobicContact CG-CH2 4.27Å; K131-W163 HydrophobicContact CG-CZ2 3.62Å; A134-W163 HydrophobicContact CB-CH2 4.27Å; A134-W163 HydrophobicContact CB-CZ3 4.14Å; W163-Y165 WeakPolarHBondContact O-CA 3.39Å; W163-P166 HydrophobicContact CD2-CB 4.3Å; W163-P166 HydrophobicContact CH2-CB 4.5Å; W163-P166 HydrophobicContact CZ2-CB 4.13Å; W163-P166 WeakPolarHBondContact O-CD 3.49Å; W163-D171 HydrophobicContact CH2-CB 3.9Å; W163-D171 HydrophobicContact CZ2-CB 3.91Å; W163-A174 HydrophobicContact CH2-CB 4.45Å; W163-M175 HydrophobicContact CE3-SD 4.12Å; W163-M175 HydrophobicContact CZ3-SD 4.36Å
164	E	91.7	Very high	89.4	Confident	24 Å²	24	38 Å²	38	11%	0.112	19%	0.188	C	C	.	.	S	Bend	trans	-106.5	96.8	178.4	-61.4	-164.6	-112.4	0	0	113.5	G122 W123 T127 D162 M225	G122-E164 WeakPolarHBondContact CA-OE1 3.49Å; W123-E164 PolarHBondContact N-OE1 3.26Å; T127-E164 VanDerWaalsContact CG2-O 3.28Å; T127-E164 WeakPolarHBondContact CG2-O 3.42Å; D162-E164 VanDerWaalsContact OD1-CG 3.29Å; D162-E164 WeakPolarHBondContact OD1-CG 3.32Å; E164-M225 HydrophobicContact CG-CE 3.99Å
165	Y	89	Confident	88.5	Confident	39 Å²	39	37.7 Å²	37.7	15%	0.153	19%	0.186	C	C	.	.			cis	-132.3	149.1	-10.8	-61.3	-84.2	0	0	0	110.9	W123 T127 W163 D167 A200 K205 M225	W123-Y165 HydrophobicContact CZ3-CE2 4.32Å; T127-Y165 VanDerWaalsContact CG2-O 3.27Å; T127-Y165 WeakPolarHBondContact CG2-O 3.43Å; W163-Y165 WeakPolarHBondContact O-CA 3.39Å; Y165-D167 PolarHBondContact O-N 3.48Å; Y165-A200 HydrophobicContact CD1-CB 3.74Å; Y165-A200 HydrophobicContact CE1-CB 3.73Å; Y165-K205 HydrophobicContact CD1-CD 4.2Å; Y165-K205 HydrophobicContact CD2-CD 3.84Å; Y165-K205 HydrophobicContact CE2-CD 4.33Å; Y165-K205 HydrophobicContact CG-CD 3.75Å; Y165-M225 HydrophobicContact CE1-CE 3.5Å; Y165-M225 VanDerWaalsContact CE1-CE 3.5Å; Y165-M225 VanDerWaalsContact OH-CE 3.32Å; Y165-M225 WeakPolarHBondContact OH-CE 3.36Å
166	P	90	Very high	87.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.			trans	-62.5	128.3	161.9	28.3	-33.5	0	0	0	108.4	W163 D171 M175 G209 Y210	W163-P166 HydrophobicContact CD2-CB 4.3Å; W163-P166 HydrophobicContact CH2-CB 4.5Å; W163-P166 HydrophobicContact CZ2-CB 4.13Å; W163-P166 WeakPolarHBondContact O-CD 3.49Å; P166-D171 HydrophobicContact CB-CB 3.56Å; P166-M175 HydrophobicContact CG-SD 4.43Å; P166-G209 WeakPolarHBondContact O-CA 3.42Å; P166-Y210 HydrophobicContact CG-CD1 4.39Å; P166-Y210 HydrophobicContact CG-CE1 3.89Å; P166-Y210 HydrophobicContact CG-CE2 4.06Å
167	D	87.3	Confident	86.9	Confident	83 Å²	83	37 Å²	37	44%	0.444	19%	0.185	S	C	.	.			trans	-136.1	2.5	-169.8	64.4	-9.2	0	0	0	113.7	K131 Y165 D171	K131-D167 IonicContact NZ-OD1 2.67Å; K131-D167 PolarHBondContact NZ-OD1 3.36Å; Y165-D167 PolarHBondContact O-N 3.48Å; D167-D171 PolarHBondContact N-OD2 3.5Å; D167-D171 VanDerWaalsContact OD1-OD2 3.08Å
168	T	85.9	Confident	86.2	Confident	58 Å²	58	35.6 Å²	35.6	36%	0.356	18%	0.178	S	C	.	.	S	Bend	trans	-124.9	159.3	175.9	67.8	0	0	0	0	111.8	S170 D171 R172 K208	T168-S170 PolarHBondContact O-N 2.91Å; T168-D171 PolarHBondContact N-OD2 2.88Å; T168-D171 WeakPolarHBondContact O-CA 3.46Å; T168-D171 WeakPolarHBondContact O-CB 3.26Å; T168-D171 PolarHBondContact O-N 2.93Å; T168-D171 PolarHBondContact OG1-N 2.96Å; T168-D171 VanDerWaalsContact OG1-N 3.14Å; T168-D171 PolarHBondContact OG1-OD2 3.39Å; T168-R172 PolarHBondContact O-N 2.83Å; T168-K208 CarbonylContact C-O 3.59Å
169	E	82.5	Confident	85.7	Confident	132 Å²	132	40.1 Å²	40.1	62%	0.617	20%	0.198	S	C	*	.	H	α-helix	trans	-58.1	-32.1	172.5	-162.1	-165.5	156.4	0	0	112.4	R172 R173	E169-R172 WeakPolarHBondContact O-CB 3.36Å; E169-R172 PolarHBondContact O-N 3.31Å; E169-R173 PolarHBondContact O-N 3.3Å; E169-R173 IonicContact OE1-CZ 2.9Å; E169-R173 IonicContact OE1-NH1 3.45Å; E169-R173 PolarHBondContact OE1-NH1 2.95Å
170	S	84	Confident	85	Confident	65 Å²	65	44 Å²	44	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-46.3	172.4	-178.2	0	0	0	0	111.1	T168 R172 R173 A174	T168-S170 PolarHBondContact O-N 2.91Å; S170-R172 VanDerWaalsContact C-N 3.32Å; S170-R172 PolarHBondContact O-N 3.06Å; S170-R173 PolarHBondContact O-N 3.41Å; S170-A174 WeakPolarHBondContact O-CB 3.46Å; S170-A174 PolarHBondContact O-N 3.03Å
171	D	85.1	Confident	84.3	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-39.8	177.8	-56.3	-38.4	0	0	0	111.2	K131 W163 P166 D167 T168 R173 A174 M175	K131-D171 WeakPolarHBondContact CE-OD1 3.45Å; K131-D171 WeakPolarHBondContact CE-OD2 3.11Å; K131-D171 WeakPolarHBondContact CG-OD1 3.29Å; K131-D171 IonicContact NZ-OD2 2.73Å; K131-D171 PolarHBondContact NZ-OD2 3.49Å; W163-D171 HydrophobicContact CH2-CB 3.9Å; W163-D171 HydrophobicContact CZ2-CB 3.91Å; P166-D171 HydrophobicContact CB-CB 3.56Å; D167-D171 PolarHBondContact N-OD2 3.5Å; D167-D171 VanDerWaalsContact OD1-OD2 3.08Å; T168-D171 PolarHBondContact N-OD2 2.88Å; T168-D171 WeakPolarHBondContact O-CA 3.46Å; T168-D171 WeakPolarHBondContact O-CB 3.26Å; T168-D171 PolarHBondContact O-N 2.93Å; T168-D171 PolarHBondContact OG1-N 2.96Å; T168-D171 VanDerWaalsContact OG1-N 3.14Å; T168-D171 PolarHBondContact OG1-OD2 3.39Å; D171-R173 PolarHBondContact O-N 3.07Å; D171-A174 CarbonylContact O-C 3.43Å; D171-A174 WeakPolarHBondContact O-CA 3.35Å; D171-A174 VanDerWaalsContact O-CB 3.3Å; D171-A174 WeakPolarHBondContact O-CB 3.33Å; D171-A174 PolarHBondContact O-N 3.02Å; D171-M175 PolarHBondContact O-N 2.71Å
172	R	83	Confident	83.6	Confident	99 Å²	99	46.4 Å²	46.4	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-45.2	174.2	-178.8	171.8	174.2	-174.3	-6.2	112.6	T168 E169 S170 A174 M175 E207 K208 G209 Y210 D211	T168-R172 PolarHBondContact O-N 2.83Å; E169-R172 WeakPolarHBondContact O-CB 3.36Å; E169-R172 PolarHBondContact O-N 3.31Å; S170-R172 VanDerWaalsContact C-N 3.32Å; S170-R172 PolarHBondContact O-N 3.06Å; R172-A174 VanDerWaalsContact C-N 3.31Å; R172-M175 WeakPolarHBondContact O-CB 3.5Å; R172-M175 PolarHBondContact O-N 2.61Å; R172-E207 PolarHBondContact NH1-O 3.36Å; R172-K208 WeakPolarHBondContact CB-O 3.38Å; R172-G209 VanDerWaalsContact CA-O 3.32Å; R172-G209 WeakPolarHBondContact CA-O 3.39Å; R172-Y210 PolarHBondContact NE-O 3.31Å; R172-Y210 VanDerWaalsContact NE-O 3.14Å; R172-D211 HydrophobicContact CG-CB 4.22Å
173	R	77.7	Confident	82.8	Confident	150 Å²	150	51.9 Å²	51.9	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-66.5	-34.9	171.4	-74	-172.5	-73.5	-91.1	-0.7	112.1	E169 S170 D171 M175 A176	E169-R173 PolarHBondContact O-N 3.3Å; E169-R173 IonicContact OE1-CZ 2.9Å; E169-R173 IonicContact OE1-NH1 3.45Å; E169-R173 PolarHBondContact OE1-NH1 2.95Å; S170-R173 PolarHBondContact O-N 3.41Å; D171-R173 PolarHBondContact O-N 3.07Å; R173-M175 PolarHBondContact O-N 3.5Å; R173-A176 VanDerWaalsContact O-CB 3.28Å; R173-A176 WeakPolarHBondContact O-CB 3.29Å; R173-A176 PolarHBondContact O-N 2.84Å; R173-A176 VanDerWaalsContact O-N 3.14Å
174	A	73.7	Confident	82.1	Confident	9 Å²	9	54 Å²	54	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-68.4	-18	-178.2	0	0	0	0	0	113.4	A134 W163 S170 D171 R172 A176 I177	A134-A174 HydrophobicContact CB-CB 3.35Å; W163-A174 HydrophobicContact CH2-CB 4.45Å; S170-A174 WeakPolarHBondContact O-CB 3.46Å; S170-A174 PolarHBondContact O-N 3.03Å; D171-A174 CarbonylContact O-C 3.43Å; D171-A174 WeakPolarHBondContact O-CA 3.35Å; D171-A174 VanDerWaalsContact O-CB 3.3Å; D171-A174 WeakPolarHBondContact O-CB 3.33Å; D171-A174 PolarHBondContact O-N 3.02Å; R172-A174 VanDerWaalsContact C-N 3.31Å; A174-A176 PolarHBondContact O-N 2.88Å; A174-I177 PolarHBondContact O-N 2.88Å
175	M	75.9	Confident	81.4	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.069	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-11.7	168.4	-67.7	-58.2	-67.6	0	0	113.7	L161 W163 P166 D171 R172 R173 I177 A178 Y210 L215	L161-M175 HydrophobicContact CD2-CE 4.33Å; W163-M175 HydrophobicContact CE3-SD 4.12Å; W163-M175 HydrophobicContact CZ3-SD 4.36Å; P166-M175 HydrophobicContact CG-SD 4.43Å; D171-M175 PolarHBondContact O-N 2.71Å; R172-M175 WeakPolarHBondContact O-CB 3.5Å; R172-M175 PolarHBondContact O-N 2.61Å; R173-M175 PolarHBondContact O-N 3.5Å; M175-I177 PolarHBondContact O-N 2.91Å; M175-A178 VanDerWaalsContact O-CB 3.31Å; M175-A178 WeakPolarHBondContact O-CB 3.33Å; M175-A178 PolarHBondContact O-N 3.01Å; M175-Y210 HydrophobicContact CE-CD1 4.29Å; M175-Y210 HydrophobicContact CE-CE1 4.47Å; M175-L215 HydrophobicContact CE-CD1 3.95Å
176	A	71.8	Confident	80.5	Confident	38 Å²	38	54.8 Å²	54.8	31%	0.314	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-10	163.3	0	0	0	0	0	114	R173 A174 A178 E179 R180	R173-A176 VanDerWaalsContact O-CB 3.28Å; R173-A176 WeakPolarHBondContact O-CB 3.29Å; R173-A176 PolarHBondContact O-N 2.84Å; R173-A176 VanDerWaalsContact O-N 3.14Å; A174-A176 PolarHBondContact O-N 2.88Å; A176-A178 PolarHBondContact O-N 2.85Å; A176-E179 VanDerWaalsContact O-CB 3.3Å; A176-E179 WeakPolarHBondContact O-CB 3.43Å; A176-E179 PolarHBondContact O-N 2.9Å; A176-E179 VanDerWaalsContact O-N 3.17Å; A176-R180 PolarHBondContact O-N 2.76Å
177	I	80.8	Confident	79.7	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-32.8	165.5	-164	164.6	0	0	0	112.2	V133 K140 F143 V144 L161 A174 M175 E179 R180 I181	V133-I177 HydrophobicContact CG1-CD1 3.93Å; K140-I177 HydrophobicContact CD-CG1 4.49Å; K140-I177 HydrophobicContact CG-CD1 4.26Å; K140-I177 HydrophobicContact CG-CG1 4.01Å; F143-I177 HydrophobicContact CD1-CD1 3.68Å; F143-I177 HydrophobicContact CD1-CG1 4.5Å; F143-I177 HydrophobicContact CE1-CD1 3.68Å; F143-I177 HydrophobicContact CE1-CG1 4.41Å; V144-I177 HydrophobicContact CG2-CG1 4.46Å; L161-I177 HydrophobicContact CD2-CG2 4.27Å; A174-I177 PolarHBondContact O-N 2.88Å; M175-I177 PolarHBondContact O-N 2.91Å; I177-E179 VanDerWaalsContact C-N 3.31Å; I177-E179 PolarHBondContact O-N 2.92Å; I177-R180 PolarHBondContact O-N 3.28Å; I177-I181 HydrophobicContact CG1-CD1 4.24Å; I177-I181 WeakPolarHBondContact O-CG1 3.15Å; I177-I181 PolarHBondContact O-N 3.36Å
178	A	80.6	Confident	78.8	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-38.3	175	0	0	0	0	0	111.8	M175 A176 I181 H182 L195 L215 Y218	M175-A178 VanDerWaalsContact O-CB 3.31Å; M175-A178 WeakPolarHBondContact O-CB 3.33Å; M175-A178 PolarHBondContact O-N 3.01Å; A176-A178 PolarHBondContact O-N 2.85Å; A178-I181 PolarHBondContact O-N 3.09Å; A178-H182 WeakPolarHBondContact O-CB 3.4Å; A178-H182 PolarHBondContact O-N 3.08Å; A178-L195 HydrophobicContact CB-CD2 4.4Å; A178-L195 WeakPolarHBondContact O-CD2 3.46Å; A178-L215 HydrophobicContact CB-CD1 4.15Å; A178-Y218 HydrophobicContact CB-CD2 4.48Å
179	E	82.9	Confident	77.9	Confident	94 Å²	94	71 Å²	71	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-46.5	173.6	-177.1	175.1	166.8	0	0	111.5	A176 I177 I181 H182 W183 Y218	A176-E179 VanDerWaalsContact O-CB 3.3Å; A176-E179 WeakPolarHBondContact O-CB 3.43Å; A176-E179 PolarHBondContact O-N 2.9Å; A176-E179 VanDerWaalsContact O-N 3.17Å; I177-E179 VanDerWaalsContact C-N 3.31Å; I177-E179 PolarHBondContact O-N 2.92Å; E179-I181 VanDerWaalsContact C-N 3.34Å; E179-I181 PolarHBondContact O-N 3.39Å; E179-H182 WeakPolarHBondContact O-CB 3.42Å; E179-H182 PolarHBondContact O-N 3.27Å; E179-W183 PolarHBondContact O-N 3.35Å; E179-Y218 HydrophobicContact CB-CD1 4.12Å; E179-Y218 HydrophobicContact CB-CD2 3.88Å; E179-Y218 HydrophobicContact CB-CE1 3.86Å; E179-Y218 HydrophobicContact CB-CE2 3.57Å; E179-Y218 HydrophobicContact CB-CG 4.14Å; E179-Y218 HydrophobicContact CG-CD1 4.22Å; E179-Y218 HydrophobicContact CG-CE1 3.6Å; E179-Y218 HydrophobicContact CG-CE2 4.06Å; E179-Y218 VanDerWaalsContact CG-CZ 3.49Å; E179-Y218 PolarHBondContact OE2-OH 3.24Å
180	R	82.7	Confident	77.4	Confident	84 Å²	84	72.7 Å²	72.7	32%	0.317	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-41.9	179.7	-177.8	60.6	-171.4	-152.3	6.6	111.7	V144 A176 I177 H182 W183 E184	V144-R180 HydrophobicContact CB-CG 4.32Å; V144-R180 HydrophobicContact CG1-CG 4.27Å; V144-R180 HydrophobicContact CG2-CB 4.44Å; V144-R180 HydrophobicContact CG2-CG 3.91Å; A176-R180 PolarHBondContact O-N 2.76Å; I177-R180 PolarHBondContact O-N 3.28Å; R180-H182 VanDerWaalsContact C-N 3.34Å; R180-W183 PolarHBondContact O-N 3.4Å; R180-E184 IonicContact CZ-OE1 3.92Å; R180-E184 IonicContact NE-OE1 2.8Å; R180-E184 PolarHBondContact NE-OE1 3.22Å; R180-E184 IonicContact NH2-OE1 2.79Å; R180-E184 PolarHBondContact NH2-OE1 2.86Å; R180-E184 WeakPolarHBondContact O-CG 3.44Å; R180-E184 PolarHBondContact O-N 3.33Å
181	I	81.8	Confident	76.8	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-40.9	175.5	-62.4	165.8	0	0	0	110.2	F143 V144 L147 M148 F159 I177 A178 E179 W183 E184 K185 L195	F143-I181 HydrophobicContact CE1-CD1 4.41Å; V144-I181 HydrophobicContact CG1-CG1 4.31Å; V144-I181 HydrophobicContact CG2-CG1 3.76Å; L147-I181 HydrophobicContact CD2-CD1 4.15Å; L147-I181 HydrophobicContact CD2-CG1 4.35Å; M148-I181 HydrophobicContact CE-CG2 3.82Å; F159-I181 HydrophobicContact CD1-CD1 4.11Å; F159-I181 HydrophobicContact CE1-CD1 3.98Å; I177-I181 HydrophobicContact CG1-CD1 4.24Å; I177-I181 WeakPolarHBondContact O-CG1 3.15Å; I177-I181 PolarHBondContact O-N 3.36Å; A178-I181 PolarHBondContact O-N 3.09Å; E179-I181 VanDerWaalsContact C-N 3.34Å; E179-I181 PolarHBondContact O-N 3.39Å; I181-W183 PolarHBondContact O-N 3.13Å; I181-E184 PolarHBondContact O-N 3.08Å; I181-K185 WeakPolarHBondContact O-CG 3.42Å; I181-K185 PolarHBondContact O-N 2.86Å; I181-L195 HydrophobicContact CB-CD1 4.44Å; I181-L195 HydrophobicContact CB-CD2 4Å; I181-L195 HydrophobicContact CD1-CD1 4.44Å; I181-L195 HydrophobicContact CG2-CD1 3.78Å; I181-L195 HydrophobicContact CG2-CD2 3.88Å; I181-L195 HydrophobicContact CG2-CG 4.34Å
182	H	81.8	Confident	76.6	Confident	56 Å²	56	80.6 Å²	80.6	26%	0.259	37%	0.372	S	S	.	.	H	α-helix	trans	-59.8	-42.7	177.5	-178.8	94.1	0	0	0	112.6	A178 E179 R180 K185 T186 L195 Y218	A178-H182 WeakPolarHBondContact O-CB 3.4Å; A178-H182 PolarHBondContact O-N 3.08Å; E179-H182 WeakPolarHBondContact O-CB 3.42Å; E179-H182 PolarHBondContact O-N 3.27Å; R180-H182 VanDerWaalsContact C-N 3.34Å; H182-K185 VanDerWaalsContact ND1-CE 3.29Å; H182-K185 WeakPolarHBondContact ND1-CE 3.46Å; H182-K185 WeakPolarHBondContact O-CG 3.23Å; H182-T186 PolarHBondContact O-N 3.09Å; H182-T186 PolarHBondContact O-OG1 2.64Å; H182-L195 HydrophobicContact CB-CD2 4.48Å; H182-Y218 HydrophobicContact CB-CD1 4.14Å; H182-Y218 HydrophobicContact CB-CG 4.44Å; H182-Y218 PolarHBondContact ND1-O 3.19Å
183	W	78.3	Confident	77	Confident	117 Å²	117	76.2 Å²	76.2	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-68	-41.1	177	-174.7	95.1	0	0	0	112.1	E179 R180 I181 T186 R187	E179-W183 PolarHBondContact O-N 3.35Å; R180-W183 PolarHBondContact O-N 3.4Å; I181-W183 PolarHBondContact O-N 3.13Å; W183-T186 PolarHBondContact O-N 3.35Å; W183-T186 PolarHBondContact O-OG1 3.43Å; W183-T186 VanDerWaalsContact O-OG1 3.04Å; W183-R187 PolarHBondContact O-N 3.28Å
184	E	78.1	Confident	77.7	Confident	51 Å²	51	70.5 Å²	70.5	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-71.2	-33.4	179.4	-70.4	-72.1	178.2	0	0	112.5	V144 M148 R180 I181 T186 R187	V144-E184 HydrophobicContact CG1-CB 4.09Å; V144-E184 HydrophobicContact CG1-CG 3.72Å; M148-E184 HydrophobicContact CE-CB 3.71Å; M148-E184 HydrophobicContact CG-CB 4.19Å; M148-E184 HydrophobicContact SD-CB 4.3Å; R180-E184 IonicContact CZ-OE1 3.92Å; R180-E184 IonicContact NE-OE1 2.8Å; R180-E184 PolarHBondContact NE-OE1 3.22Å; R180-E184 IonicContact NH2-OE1 2.79Å; R180-E184 PolarHBondContact NH2-OE1 2.86Å; R180-E184 WeakPolarHBondContact O-CG 3.44Å; R180-E184 PolarHBondContact O-N 3.33Å; I181-E184 PolarHBondContact O-N 3.08Å; E184-T186 VanDerWaalsContact C-N 3.27Å; E184-T186 PolarHBondContact O-N 3.29Å; E184-R187 PolarHBondContact O-N 2.73Å
185	K	76.4	Confident	78.7	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-68.7	-24.3	177.2	69.4	175.8	-168.5	165	0	113.7	M148 I181 H182 L193 L195 D220	M148-K185 HydrophobicContact CE-CB 4.29Å; I181-K185 WeakPolarHBondContact O-CG 3.42Å; I181-K185 PolarHBondContact O-N 2.86Å; H182-K185 VanDerWaalsContact ND1-CE 3.29Å; H182-K185 WeakPolarHBondContact ND1-CE 3.46Å; H182-K185 WeakPolarHBondContact O-CG 3.23Å; K185-L193 HydrophobicContact CB-CB 4.01Å; K185-L193 WeakPolarHBondContact CD-O 3.2Å; K185-L195 HydrophobicContact CD-CB 4.02Å; K185-D220 IonicContact NZ-OD1 2.75Å; K185-D220 IonicContact NZ-OD2 3.54Å; K185-D220 PolarHBondContact NZ-OD2 3.22Å
186	T	70.9	Confident	79.7	Confident	72 Å²	72	69.6 Å²	69.6	44%	0.442	33%	0.33	S	S	.	.	H	α-helix	trans	-95.8	-8.3	-180	52.3	0	0	0	0	113	H182 W183 E184	H182-T186 PolarHBondContact O-N 3.09Å; H182-T186 PolarHBondContact O-OG1 2.64Å; W183-T186 PolarHBondContact O-N 3.35Å; W183-T186 PolarHBondContact O-OG1 3.43Å; W183-T186 VanDerWaalsContact O-OG1 3.04Å; E184-T186 VanDerWaalsContact C-N 3.27Å; E184-T186 PolarHBondContact O-N 3.29Å
187	R	72.9	Confident	80.8	Confident	159 Å²	159	68 Å²	68	60%	0.6	32%	0.316	S	S	*	.	S	Bend	trans	-80.3	125	-176.3	-172.8	171.6	169.4	105	-2.7	112.4	W183 E184	W183-R187 PolarHBondContact O-N 3.28Å; E184-R187 PolarHBondContact O-N 2.73Å
188	G	67.2	Low	81.6	Confident	62 Å²	62	67.8 Å²	67.8	64%	0.639	32%	0.316	S	S	*	.	S	Bend	trans	90.4	-172.4	173.5	0	0	0	0	0	114.1	R190	G188-R190 VanDerWaalsContact C-N 3.3Å; G188-R190 PolarHBondContact O-N 2.81Å
189	R	68.2	Low	82.4	Confident	261 Å²	261	67.6 Å²	67.6	99%	0.985	31%	0.314	S	S	*	.	S	Bend	trans	-89.9	18	-178.2	-64	-174.2	178.1	176.1	-0.5	113.8
190	R	70.5	Confident	83	Confident	168 Å²	168	63.2 Å²	63.2	63%	0.634	29%	0.294	S	S	*	.	S	Bend	trans	-82.1	153.8	-178.4	-66.3	-174.1	178.3	-173.6	-0.7	110.1	G188 Q192	G188-R190 VanDerWaalsContact C-N 3.3Å; G188-R190 PolarHBondContact O-N 2.81Å; R190-Q192 PolarHBondContact O-N 3.25Å
191	P	72	Confident	83.6	Confident	101 Å²	101	59.6 Å²	59.6	66%	0.656	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-52.7	133.7	172.8	-25.3	33.9	0	0	0	111	R152 L193	R152-P191 VanDerWaalsContact CZ-O 3.28Å; R152-P191 PolarHBondContact NH1-O 2.95Å; R152-P191 PolarHBondContact NH2-O 3.13Å; P191-L193 PolarHBondContact O-N 3.06Å
192	Q	80.9	Confident	84	Confident	136 Å²	136	62 Å²	62	64%	0.636	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-60.4	129.8	179.5	-172.2	175.8	6.1	0	0	109.6	R190	R190-Q192 PolarHBondContact O-N 3.25Å
193	L	91	Very high	84.4	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-86.5	153.3	172.6	-65.4	166.4	0	0	0	110	M148 L151 F156 D157 K185 P191	M148-L193 HydrophobicContact SD-CD1 3.8Å; L151-L193 HydrophobicContact CD1-CD1 3.94Å; F156-L193 WeakPolarHBondContact O-CD2 3.25Å; D157-L193 CarbonylContact O-C 3.39Å; D157-L193 VanDerWaalsContact O-CA 3.26Å; D157-L193 WeakPolarHBondContact O-CA 3.24Å; K185-L193 HydrophobicContact CB-CB 4.01Å; K185-L193 WeakPolarHBondContact CD-O 3.2Å; P191-L193 PolarHBondContact O-N 3.06Å
194	I	92.8	Very high	84.9	Confident	31 Å²	31	59 Å²	59	16%	0.159	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	141	171.4	-53.9	176	0	0	0	108.4	K115 L117 D157 G158 F159 T196 D220 F221	K115-I194 HydrophobicContact CB-CD1 4.08Å; K115-I194 HydrophobicContact CD-CD1 4.31Å; K115-I194 HydrophobicContact CG-CD1 3.85Å; L117-I194 HydrophobicContact CD1-CD1 4.5Å; L117-I194 HydrophobicContact CD2-CB 4.11Å; L117-I194 HydrophobicContact CD2-CG2 3.98Å; D157-I194 PolarHBondContact O-N 2.79Å; G158-I194 CarbonylContact C-O 3.56Å; G158-I194 WeakPolarHBondContact CA-O 3.49Å; F159-I194 PolarHBondContact N-O 2.88Å; I194-T196 HydrophobicContact CG2-CG2 3.85Å; I194-D220 WeakPolarHBondContact CA-OD2 3.43Å; I194-D220 HydrophobicContact CG2-CB 3.88Å; I194-F221 HydrophobicContact CG2-CE1 4.38Å
195	L	94.6	Very high	85.6	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.9	173.2	176.8	60.7	0	0	0	109.1	F159 A178 I181 H182 K185 V219 D220	F159-L195 HydrophobicContact CB-CD1 4.47Å; F159-L195 HydrophobicContact CD1-CD1 3.77Å; F159-L195 WeakPolarHBondContact O-CA 3.31Å; A178-L195 HydrophobicContact CB-CD2 4.4Å; A178-L195 WeakPolarHBondContact O-CD2 3.46Å; I181-L195 HydrophobicContact CB-CD1 4.44Å; I181-L195 HydrophobicContact CB-CD2 4Å; I181-L195 HydrophobicContact CD1-CD1 4.44Å; I181-L195 HydrophobicContact CG2-CD1 3.78Å; I181-L195 HydrophobicContact CG2-CD2 3.88Å; I181-L195 HydrophobicContact CG2-CG 4.34Å; H182-L195 HydrophobicContact CB-CD2 4.48Å; K185-L195 HydrophobicContact CD-CB 4.02Å; L195-V219 HydrophobicContact CG-CG1 4.31Å; L195-V219 CarbonylContact O-C 3.54Å; L195-V219 WeakPolarHBondContact O-CA 3.47Å; L195-V219 WeakPolarHBondContact O-CB 3.43Å; L195-D220 PolarHBondContact N-OD2 2.93Å; L195-D220 PolarHBondContact O-N 3.18Å
196	T	96.6	Very high	86.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	168.7	177.4	62.3	0	0	0	0	110.2	F77 L117 F159 D160 L161 I194 F221	F77-T196 HydrophobicContact CE1-CG2 4.36Å; L117-T196 HydrophobicContact CD2-CG2 3.88Å; F159-T196 PolarHBondContact O-N 2.87Å; D160-T196 WeakPolarHBondContact CA-O 3.23Å; D160-T196 WeakPolarHBondContact CA-OG1 3.44Å; D160-T196 WeakPolarHBondContact CB-OG1 3.49Å; D160-T196 VanDerWaalsContact CG-OG1 3.31Å; D160-T196 WeakPolarHBondContact OD1-CB 3.18Å; D160-T196 PolarHBondContact OD1-OG1 3.21Å; L161-T196 PolarHBondContact N-O 2.88Å; I194-T196 HydrophobicContact CG2-CG2 3.85Å; T196-F221 WeakPolarHBondContact CA-O 3.23Å; T196-F221 HydrophobicContact CG2-CD1 4.09Å; T196-F221 HydrophobicContact CG2-CD2 3.69Å; T196-F221 HydrophobicContact CG2-CE1 3.73Å; T196-F221 HydrophobicContact CG2-CE2 3.31Å; T196-F221 HydrophobicContact CG2-CG 4.08Å; T196-F221 HydrophobicContact CG2-CZ 3.35Å
197	A	96.2	Very high	87.2	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135	170.4	0	0	0	0	0	110.3	L161 V199 V222 N223	L161-A197 HydrophobicContact CB-CB 4.38Å; L161-A197 CarbonylContact O-C 3.46Å; L161-A197 VanDerWaalsContact O-CA 3.24Å; L161-A197 WeakPolarHBondContact O-CA 3.37Å; A197-V199 HydrophobicContact CB-CG1 3.98Å; A197-V222 WeakPolarHBondContact O-CA 3.46Å; A197-N223 PolarHBondContact O-N 2.92Å
198	A	97.3	Very high	88	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.9	162.6	0	0	0	0	0	108.8	L161 D162 N223 M225	L161-A198 PolarHBondContact O-N 3.39Å; D162-A198 HydrophobicContact CB-CB 3.96Å; D162-A198 WeakPolarHBondContact OD1-CB 3.38Å; A198-N223 WeakPolarHBondContact CA-O 3.13Å; A198-M225 HydrophobicContact CB-CE 4.39Å; A198-M225 HydrophobicContact CB-SD 4.24Å
199	V	96.5	Very high	89.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.2	-170	-58.5	0	0	0	0	112.3	A197 Y210 L215 V222 N223 V224 M225 W265	A197-V199 HydrophobicContact CB-CG1 3.98Å; V199-Y210 HydrophobicContact CB-CE1 4.09Å; V199-Y210 HydrophobicContact CG1-CD1 4.42Å; V199-Y210 HydrophobicContact CG1-CE1 3.83Å; V199-L215 HydrophobicContact CG1-CD2 4.35Å; V199-V222 HydrophobicContact CG1-CB 4.28Å; V199-V222 HydrophobicContact CG1-CG1 4.15Å; V199-V222 HydrophobicContact CG2-CB 3.9Å; V199-V222 HydrophobicContact CG2-CG2 4.26Å; V199-N223 PolarHBondContact N-O 3.34Å; V199-V224 HydrophobicContact CG2-CB 4.32Å; V199-V224 HydrophobicContact CG2-CG2 3.82Å; V199-M225 PolarHBondContact O-N 3.14Å; V199-W265 HydrophobicContact CB-CH2 3.73Å; V199-W265 HydrophobicContact CB-CZ2 3.44Å; V199-W265 VanDerWaalsContact CB-CZ2 3.44Å; V199-W265 HydrophobicContact CG1-CH2 3.98Å; V199-W265 HydrophobicContact CG1-CZ2 4.21Å; V199-W265 HydrophobicContact CG2-CD2 4.42Å; V199-W265 HydrophobicContact CG2-CH2 3.8Å; V199-W265 HydrophobicContact CG2-CZ2 3.34Å; V199-W265 HydrophobicContact CG2-CZ3 4.49Å
200	A	95.8	Very high	90.2	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	21%	0.21	C	C	.	.			trans	-65.3	146.7	-175.5	0	0	0	0	0	113.6	Y165 K205 Y210 W265	Y165-A200 HydrophobicContact CD1-CB 3.74Å; Y165-A200 HydrophobicContact CE1-CB 3.73Å; A200-K205 HydrophobicContact CB-CB 3.73Å; A200-K205 HydrophobicContact CB-CD 3.99Å; A200-Y210 HydrophobicContact CB-CE2 4.21Å; A200-Y210 PolarHBondContact N-OH 3.14Å; A200-W265 PolarHBondContact O-NE1 3.27Å
201	A	95.3	Very high	91.2	Very high	9 Å²	9	37.6 Å²	37.6	7%	0.074	20%	0.196	C	C	.	.			trans	-86.5	-23.3	168.4	0	0	0	0	0	113.7	Q203 V224 M225 T226 F229 A261	A201-Q203 PolarHBondContact O-N 2.84Å; A201-V224 HydrophobicContact CB-CG1 4.46Å; A201-M225 WeakPolarHBondContact CB-O 3.34Å; A201-T226 HydrophobicContact CB-CG2 4.37Å; A201-F229 HydrophobicContact CB-CE1 3.92Å; A201-F229 HydrophobicContact CB-CZ 3.89Å; A201-A261 HydrophobicContact CB-CB 3.69Å; A201-A261 WeakPolarHBondContact O-CB 3.31Å
202	S	91.1	Very high	92.1	Very high	55 Å²	55	32.9 Å²	32.9	39%	0.385	17%	0.166	S	C	.	.			trans	-70.4	125.7	-178.1	173.7	0	0	0	0	112	D204 K205 I206	S202-D204 VanDerWaalsContact C-N 3.3Å; S202-D204 PolarHBondContact O-N 2.84Å; S202-K205 PolarHBondContact O-N 3.06Å; S202-I206 VanDerWaalsContact O-CG1 3.23Å; S202-I206 WeakPolarHBondContact O-CG1 3.39Å; S202-I206 PolarHBondContact O-N 2.61Å
203	Q	90.4	Very high	92.7	Very high	30 Å²	30	29.3 Å²	29.3	14%	0.14	15%	0.154	C	C	.	.	H	α-helix	trans	-56.3	-42	179	-62.7	-168.3	-2	0	0	112.8	A201 K205 I206 E207 T255 F264	A201-Q203 PolarHBondContact O-N 2.84Å; Q203-K205 PolarHBondContact O-N 3.33Å; Q203-I206 WeakPolarHBondContact O-CB 3.32Å; Q203-I206 PolarHBondContact O-N 3.02Å; Q203-I206 VanDerWaalsContact O-N 3.16Å; Q203-E207 WeakPolarHBondContact O-CG 3.48Å; Q203-E207 PolarHBondContact O-N 3.3Å; Q203-T255 HydrophobicContact CG-CG2 4.41Å; Q203-F264 HydrophobicContact CB-CD1 3.98Å; Q203-F264 HydrophobicContact CB-CD2 4.5Å; Q203-F264 HydrophobicContact CB-CE1 3.68Å; Q203-F264 HydrophobicContact CB-CE2 4.24Å; Q203-F264 HydrophobicContact CB-CG 4.35Å; Q203-F264 HydrophobicContact CB-CZ 3.8Å; Q203-F264 VanDerWaalsContact CD-CD2 3.44Å; Q203-F264 HydrophobicContact CG-CB 4.13Å; Q203-F264 HydrophobicContact CG-CD1 3.7Å; Q203-F264 HydrophobicContact CG-CD2 3.87Å; Q203-F264 HydrophobicContact CG-CE1 3.92Å; Q203-F264 HydrophobicContact CG-CE2 4.08Å; Q203-F264 HydrophobicContact CG-CG 3.64Å; Q203-F264 HydrophobicContact CG-CZ 4.08Å
204	D	89.3	Confident	92.7	Very high	80 Å²	80	29.7 Å²	29.7	43%	0.428	16%	0.158	S	C	.	.	H	α-helix	trans	-59.8	-45.3	178.2	-178.9	74.3	0	0	0	112.1	S202 E207 K208	S202-D204 VanDerWaalsContact C-N 3.3Å; S202-D204 PolarHBondContact O-N 2.84Å; D204-E207 PolarHBondContact O-N 2.62Å; D204-K208 WeakPolarHBondContact O-CB 3.46Å; D204-K208 WeakPolarHBondContact O-CG 3.15Å; D204-K208 PolarHBondContact O-N 3.47Å; D204-K208 VanDerWaalsContact O-N 3.08Å; D204-K208 WeakPolarHBondContact OD1-CE 3.3Å; D204-K208 IonicContact OD1-NZ 2.69Å; D204-K208 PolarHBondContact OD1-NZ 2.99Å; D204-K208 WeakPolarHBondContact OD2-CE 3.33Å; D204-K208 IonicContact OD2-NZ 2.77Å; D204-K208 PolarHBondContact OD2-NZ 3.03Å
205	K	91	Very high	92.6	Very high	70 Å²	70	28.6 Å²	28.6	30%	0.304	15%	0.152	S	C	.	.	H	α-helix	trans	-65.7	-39.1	175.7	-68.7	-175.5	177.3	174.1	0	111.6	Y165 A200 S202 Q203 E207 G209 Y210	Y165-K205 HydrophobicContact CD1-CD 4.2Å; Y165-K205 HydrophobicContact CD2-CD 3.84Å; Y165-K205 HydrophobicContact CE2-CD 4.33Å; Y165-K205 HydrophobicContact CG-CD 3.75Å; A200-K205 HydrophobicContact CB-CB 3.73Å; A200-K205 HydrophobicContact CB-CD 3.99Å; S202-K205 PolarHBondContact O-N 3.06Å; Q203-K205 PolarHBondContact O-N 3.33Å; K205-E207 VanDerWaalsContact C-N 3.35Å; K205-E207 PolarHBondContact O-N 3.33Å; K205-G209 WeakPolarHBondContact O-CA 3.42Å; K205-G209 PolarHBondContact O-N 3.38Å; K205-Y210 WeakPolarHBondContact O-CD2 3.36Å
206	I	91.7	Very high	92.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-47.5	177.8	-65.3	163.6	0	0	0	110	S202 Q203 Y210 V212 F264 W265 K268	S202-I206 VanDerWaalsContact O-CG1 3.23Å; S202-I206 WeakPolarHBondContact O-CG1 3.39Å; S202-I206 PolarHBondContact O-N 2.61Å; Q203-I206 WeakPolarHBondContact O-CB 3.32Å; Q203-I206 PolarHBondContact O-N 3.02Å; Q203-I206 VanDerWaalsContact O-N 3.16Å; I206-Y210 PolarHBondContact O-N 2.93Å; I206-V212 HydrophobicContact CG2-CG2 4.04Å; I206-F264 HydrophobicContact CB-CD1 4.13Å; I206-F264 HydrophobicContact CB-CE1 3.97Å; I206-F264 HydrophobicContact CD1-CD1 3.75Å; I206-F264 HydrophobicContact CD1-CE1 4.4Å; I206-F264 HydrophobicContact CG2-CD1 3.95Å; I206-F264 HydrophobicContact CG2-CE1 3.88Å; I206-W265 HydrophobicContact CD1-CD2 4.44Å; I206-W265 HydrophobicContact CD1-CG 4.3Å; I206-W265 HydrophobicContact CD1-CZ2 4.33Å; I206-W265 HydrophobicContact CG1-CZ2 3.74Å; I206-W265 HydrophobicContact CG2-CZ2 4.31Å; I206-K268 HydrophobicContact CG2-CG 4.23Å
207	E	89.6	Confident	92.3	Very high	90 Å²	90	36.2 Å²	36.2	42%	0.421	18%	0.183	S	C	.	.	H	α-helix	trans	-68.6	-41.5	-177.7	-69.6	-171.7	142.5	0	0	113.7	R172 Q203 D204 K205 F264 K268	R172-E207 PolarHBondContact NH1-O 3.36Å; Q203-E207 WeakPolarHBondContact O-CG 3.48Å; Q203-E207 PolarHBondContact O-N 3.3Å; D204-E207 PolarHBondContact O-N 2.62Å; K205-E207 VanDerWaalsContact C-N 3.35Å; K205-E207 PolarHBondContact O-N 3.33Å; E207-F264 HydrophobicContact CG-CE1 3.92Å; E207-F264 HydrophobicContact CG-CZ 3.77Å; E207-K268 WeakPolarHBondContact OE1-CE 3.38Å; E207-K268 IonicContact OE1-NZ 3.49Å; E207-K268 PolarHBondContact OE1-NZ 3.13Å
208	K	90.1	Very high	92.1	Very high	99 Å²	99	37.9 Å²	37.9	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-76.8	-38.8	-178.5	-70.2	173.7	-179.3	163.3	0	112.7	T168 R172 D204	T168-K208 CarbonylContact C-O 3.59Å; R172-K208 WeakPolarHBondContact CB-O 3.38Å; D204-K208 WeakPolarHBondContact O-CB 3.46Å; D204-K208 WeakPolarHBondContact O-CG 3.15Å; D204-K208 PolarHBondContact O-N 3.47Å; D204-K208 VanDerWaalsContact O-N 3.08Å; D204-K208 WeakPolarHBondContact OD1-CE 3.3Å; D204-K208 IonicContact OD1-NZ 2.69Å; D204-K208 PolarHBondContact OD1-NZ 2.99Å; D204-K208 WeakPolarHBondContact OD2-CE 3.33Å; D204-K208 IonicContact OD2-NZ 2.77Å; D204-K208 PolarHBondContact OD2-NZ 3.03Å
209	G	89.8	Confident	91.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-99.1	-19.3	-165.3	0	0	0	0	0	116.6	P166 R172 K205	P166-G209 WeakPolarHBondContact O-CA 3.42Å; R172-G209 VanDerWaalsContact CA-O 3.32Å; R172-G209 WeakPolarHBondContact CA-O 3.39Å; K205-G209 WeakPolarHBondContact O-CA 3.42Å; K205-G209 PolarHBondContact O-N 3.38Å
210	Y	91	Very high	91.8	Very high	6 Å²	6	40.5 Å²	40.5	2%	0.024	20%	0.203	C	C	.	.			trans	-131.5	129.9	-166.4	-53.8	-95.5	0	0	0	113.3	P166 R172 M175 V199 A200 K205 I206 V212 L215 W265	P166-Y210 HydrophobicContact CG-CD1 4.39Å; P166-Y210 HydrophobicContact CG-CE1 3.89Å; P166-Y210 HydrophobicContact CG-CE2 4.06Å; R172-Y210 PolarHBondContact NE-O 3.31Å; R172-Y210 VanDerWaalsContact NE-O 3.14Å; M175-Y210 HydrophobicContact CE-CD1 4.29Å; M175-Y210 HydrophobicContact CE-CE1 4.47Å; V199-Y210 HydrophobicContact CB-CE1 4.09Å; V199-Y210 HydrophobicContact CG1-CD1 4.42Å; V199-Y210 HydrophobicContact CG1-CE1 3.83Å; A200-Y210 HydrophobicContact CB-CE2 4.21Å; A200-Y210 PolarHBondContact N-OH 3.14Å; K205-Y210 WeakPolarHBondContact O-CD2 3.36Å; I206-Y210 PolarHBondContact O-N 2.93Å; Y210-V212 PolarHBondContact O-N 2.92Å; Y210-L215 HydrophobicContact CD1-CD2 4.29Å; Y210-W265 AromaticContact CD1-CH2 3.81Å; Y210-W265 HydrophobicContact CD1-CH2 3.81Å; Y210-W265 HydrophobicContact CD2-CH2 4.18Å; Y210-W265 HydrophobicContact CD2-CZ2 4.4Å; Y210-W265 HydrophobicContact CE1-CH2 4.25Å; Y210-W265 AromaticContact CG-CH2 3.75Å; Y210-W265 HydrophobicContact CG-CH2 3.75Å; Y210-W265 HydrophobicContact CG-CZ2 4.4Å
211	D	91.6	Very high	91.9	Very high	63 Å²	63	41 Å²	41	34%	0.337	21%	0.205	S	C	.	.			trans	-86.5	86.1	160.3	-174	-15.8	0	0	0	107.8	R172 P213 A214 L215	R172-D211 HydrophobicContact CG-CB 4.22Å; D211-P213 WeakPolarHBondContact OD1-CD 3.4Å; D211-A214 HydrophobicContact CB-CB 3.95Å; D211-A214 PolarHBondContact O-N 2.84Å; D211-A214 PolarHBondContact OD1-N 3Å; D211-A214 WeakPolarHBondContact OD2-CB 3.3Å; D211-L215 WeakPolarHBondContact O-CB 3.37Å; D211-L215 PolarHBondContact O-N 3.2Å
212	V	92.7	Very high	92	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-46.3	-172.2	179.9	0	0	0	0	112.5	I206 Y210 A214 L215 A216 W265 K268 M270	I206-V212 HydrophobicContact CG2-CG2 4.04Å; Y210-V212 PolarHBondContact O-N 2.92Å; V212-A214 PolarHBondContact O-N 2.73Å; V212-L215 PolarHBondContact O-N 2.8Å; V212-A216 WeakPolarHBondContact O-CB 3.44Å; V212-A216 PolarHBondContact O-N 2.82Å; V212-W265 HydrophobicContact CB-CE3 4.38Å; V212-W265 HydrophobicContact CB-CZ3 4.2Å; V212-W265 HydrophobicContact CG1-CE3 3.67Å; V212-W265 HydrophobicContact CG1-CZ3 3.87Å; V212-W265 HydrophobicContact CG2-CE3 3.83Å; V212-W265 HydrophobicContact CG2-CH2 4.23Å; V212-W265 HydrophobicContact CG2-CZ3 3.53Å; V212-K268 HydrophobicContact CB-CB 3.84Å; V212-K268 WeakPolarHBondContact CB-O 3.3Å; V212-K268 HydrophobicContact CG1-CB 4.01Å; V212-K268 HydrophobicContact CG2-CB 3.74Å; V212-M270 HydrophobicContact CG1-CB 3.75Å; V212-M270 HydrophobicContact CG1-CE 4.36Å
213	P	91.8	Very high	92.3	Very high	61 Å²	61	38 Å²	38	40%	0.396	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-39.4	175.5	-25.1	36.1	0	0	0	113.4	D211 K268	D211-P213 WeakPolarHBondContact OD1-CD 3.4Å; P213-K268 WeakPolarHBondContact CD-O 3.22Å; P213-K268 WeakPolarHBondContact CG-O 3.37Å
214	A	91	Very high	92.7	Very high	14 Å²	14	36.5 Å²	36.5	12%	0.116	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-45.1	175.9	0	0	0	0	0	111.4	D211 V212 A216 R217 Y218	D211-A214 HydrophobicContact CB-CB 3.95Å; D211-A214 PolarHBondContact O-N 2.84Å; D211-A214 PolarHBondContact OD1-N 3Å; D211-A214 WeakPolarHBondContact OD2-CB 3.3Å; V212-A214 PolarHBondContact O-N 2.73Å; A214-A216 VanDerWaalsContact C-N 3.33Å; A214-A216 PolarHBondContact O-N 2.61Å; A214-R217 WeakPolarHBondContact O-CB 3.27Å; A214-R217 PolarHBondContact O-N 2.87Å; A214-R217 VanDerWaalsContact O-N 3.16Å; A214-Y218 HydrophobicContact CB-CE2 4.35Å; A214-Y218 WeakPolarHBondContact O-CD2 3.45Å; A214-Y218 WeakPolarHBondContact O-CE2 3.31Å
215	L	91.9	Very high	93.1	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	16%	0.159	C	C	.	.	H	α-helix	trans	-58.6	-45.3	178.4	-172.3	65.1	0	0	0	111.3	M175 A178 V199 Y210 D211 V212 R217 Y218 V219 V222 W265 M270	M175-L215 HydrophobicContact CE-CD1 3.95Å; A178-L215 HydrophobicContact CB-CD1 4.15Å; V199-L215 HydrophobicContact CG1-CD2 4.35Å; Y210-L215 HydrophobicContact CD1-CD2 4.29Å; D211-L215 WeakPolarHBondContact O-CB 3.37Å; D211-L215 PolarHBondContact O-N 3.2Å; V212-L215 PolarHBondContact O-N 2.8Å; L215-R217 PolarHBondContact O-N 3.24Å; L215-R217 VanDerWaalsContact O-N 3.12Å; L215-Y218 PolarHBondContact O-N 3.2Å; L215-V219 HydrophobicContact CD1-CG1 3.56Å; L215-V219 HydrophobicContact CG-CG1 4.06Å; L215-V219 HydrophobicContact CG-CG2 4.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.34Å; L215-V219 PolarHBondContact O-N 3.19Å; L215-V222 HydrophobicContact CD2-CG1 3.98Å; L215-V222 HydrophobicContact CG-CG1 4.49Å; L215-W265 HydrophobicContact CD2-CH2 4.43Å; L215-W265 HydrophobicContact CD2-CZ3 4.27Å; L215-M270 HydrophobicContact CD2-CE 4.4Å; L215-M270 HydrophobicContact CG-CE 4.43Å
216	A	93.4	Very high	93.5	Very high	11 Å²	11	30 Å²	30	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-25.7	179	0	0	0	0	0	113.9	V212 A214 M270 K274	V212-A216 WeakPolarHBondContact O-CB 3.44Å; V212-A216 PolarHBondContact O-N 2.82Å; A214-A216 VanDerWaalsContact C-N 3.33Å; A214-A216 PolarHBondContact O-N 2.61Å; A216-M270 HydrophobicContact CB-CE 3.86Å; A216-M270 HydrophobicContact CB-SD 3.73Å; A216-K274 PolarHBondContact O-NZ 2.71Å
217	R	91.7	Very high	93.7	Very high	154 Å²	154	30.8 Å²	30.8	58%	0.581	15%	0.147	S	C	*	.	H	α-helix	trans	-75.2	-32.1	174.3	-67.2	-170.7	-66	-110.7	3.4	113	A214 L215	A214-R217 WeakPolarHBondContact O-CB 3.27Å; A214-R217 PolarHBondContact O-N 2.87Å; A214-R217 VanDerWaalsContact O-N 3.16Å; L215-R217 PolarHBondContact O-N 3.24Å; L215-R217 VanDerWaalsContact O-N 3.12Å
218	Y	90.9	Very high	94	Very high	37 Å²	37	29.1 Å²	29.1	15%	0.145	14%	0.142	C	C	.	.	H	α-helix	trans	-99.8	-35	-167.6	-57.6	-47.7	0	0	0	113.8	A178 E179 H182 A214 L215	A178-Y218 HydrophobicContact CB-CD2 4.48Å; E179-Y218 HydrophobicContact CB-CD1 4.12Å; E179-Y218 HydrophobicContact CB-CD2 3.88Å; E179-Y218 HydrophobicContact CB-CE1 3.86Å; E179-Y218 HydrophobicContact CB-CE2 3.57Å; E179-Y218 HydrophobicContact CB-CG 4.14Å; E179-Y218 HydrophobicContact CG-CD1 4.22Å; E179-Y218 HydrophobicContact CG-CE1 3.6Å; E179-Y218 HydrophobicContact CG-CE2 4.06Å; E179-Y218 VanDerWaalsContact CG-CZ 3.49Å; E179-Y218 PolarHBondContact OE2-OH 3.24Å; H182-Y218 HydrophobicContact CB-CD1 4.14Å; H182-Y218 HydrophobicContact CB-CG 4.44Å; H182-Y218 PolarHBondContact ND1-O 3.19Å; A214-Y218 HydrophobicContact CB-CE2 4.35Å; A214-Y218 WeakPolarHBondContact O-CD2 3.45Å; A214-Y218 WeakPolarHBondContact O-CE2 3.31Å; L215-Y218 PolarHBondContact O-N 3.2Å
219	V	93.6	Very high	94.3	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	13%	0.125	C	C	.	.			trans	-86.2	149.9	178.1	-53.6	0	0	0	0	111.6	L195 L215 V222 K274	L195-V219 HydrophobicContact CG-CG1 4.31Å; L195-V219 CarbonylContact O-C 3.54Å; L195-V219 WeakPolarHBondContact O-CA 3.47Å; L195-V219 WeakPolarHBondContact O-CB 3.43Å; L215-V219 HydrophobicContact CD1-CG1 3.56Å; L215-V219 HydrophobicContact CG-CG1 4.06Å; L215-V219 HydrophobicContact CG-CG2 4.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.34Å; L215-V219 PolarHBondContact O-N 3.19Å; V219-V222 HydrophobicContact CG2-CG1 3.86Å; V219-K274 PolarHBondContact O-NZ 3.33Å
220	D	94.2	Very high	94.5	Very high	54 Å²	54	27 Å²	27	29%	0.289	13%	0.133	S	C	.	.	S	Bend	trans	-70.6	-44	171.2	-63.6	-82.6	0	0	0	109.8	K185 I194 L195 K274	K185-D220 IonicContact NZ-OD1 2.75Å; K185-D220 IonicContact NZ-OD2 3.54Å; K185-D220 PolarHBondContact NZ-OD2 3.22Å; I194-D220 WeakPolarHBondContact CA-OD2 3.43Å; I194-D220 HydrophobicContact CG2-CB 3.88Å; L195-D220 PolarHBondContact N-OD2 2.93Å; L195-D220 PolarHBondContact O-N 3.18Å; D220-K274 WeakPolarHBondContact O-CD 3.36Å; D220-K274 WeakPolarHBondContact O-CE 3.47Å; D220-K274 WeakPolarHBondContact O-CG 3.48Å
221	F	97.1	Very high	94.6	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.057	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	168.2	170.6	56.6	-99.8	0	0	0	111.5	V45 F77 I194 T196 N223 K274 I276	V45-F221 HydrophobicContact CG1-CE1 4.42Å; V45-F221 HydrophobicContact CG1-CE2 4.32Å; V45-F221 HydrophobicContact CG1-CZ 3.98Å; V45-F221 HydrophobicContact CG2-CD1 4.23Å; V45-F221 HydrophobicContact CG2-CE1 4.01Å; V45-F221 HydrophobicContact CG2-CZ 4.38Å; F77-F221 HydrophobicContact CE1-CE2 4.4Å; F77-F221 HydrophobicContact CE1-CZ 4.5Å; F77-F221 AromaticContact CZ-CE2 3.88Å; F77-F221 HydrophobicContact CZ-CE2 3.88Å; F77-F221 HydrophobicContact CZ-CZ 4.01Å; I194-F221 HydrophobicContact CG2-CE1 4.38Å; T196-F221 WeakPolarHBondContact CA-O 3.23Å; T196-F221 HydrophobicContact CG2-CD1 4.09Å; T196-F221 HydrophobicContact CG2-CD2 3.69Å; T196-F221 HydrophobicContact CG2-CE1 3.73Å; T196-F221 HydrophobicContact CG2-CE2 3.31Å; T196-F221 HydrophobicContact CG2-CG 4.08Å; T196-F221 HydrophobicContact CG2-CZ 3.35Å; F221-N223 WeakPolarHBondContact CE2-OD1 3.32Å; F221-K274 CarbonylContact C-O 3.53Å; F221-K274 VanDerWaalsContact CA-O 3.3Å; F221-K274 WeakPolarHBondContact CA-O 3.45Å; F221-K274 HydrophobicContact CB-CB 4.45Å; F221-K274 VanDerWaalsContact CB-O 3.26Å; F221-K274 WeakPolarHBondContact CB-O 3.44Å; F221-I276 HydrophobicContact CB-CD1 4.24Å; F221-I276 HydrophobicContact CB-CG1 3.96Å; F221-I276 HydrophobicContact CD2-CB 4.34Å; F221-I276 HydrophobicContact CD2-CD1 4.28Å; F221-I276 HydrophobicContact CD2-CG1 3.3Å; F221-I276 HydrophobicContact CE2-CG1 3.83Å; F221-I276 HydrophobicContact CG-CD1 4.24Å; F221-I276 HydrophobicContact CG-CG1 3.73Å
222	V	98	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	172.2	-65.4	0	0	0	0	111.3	A197 V199 L215 V219 V224 M270 K274 I275 I276	A197-V222 WeakPolarHBondContact O-CA 3.46Å; V199-V222 HydrophobicContact CG1-CB 4.28Å; V199-V222 HydrophobicContact CG1-CG1 4.15Å; V199-V222 HydrophobicContact CG2-CB 3.9Å; V199-V222 HydrophobicContact CG2-CG2 4.26Å; L215-V222 HydrophobicContact CD2-CG1 3.98Å; L215-V222 HydrophobicContact CG-CG1 4.49Å; V219-V222 HydrophobicContact CG2-CG1 3.86Å; V222-V224 HydrophobicContact CG2-CG2 4.05Å; V222-M270 HydrophobicContact CB-CE 4.46Å; V222-M270 HydrophobicContact CG1-CE 3.56Å; V222-M270 HydrophobicContact CG1-SD 4.45Å; V222-M270 HydrophobicContact CG2-CE 3.99Å; V222-M270 HydrophobicContact CG2-CG 3.98Å; V222-M270 HydrophobicContact CG2-SD 4.17Å; V222-K274 PolarHBondContact N-O 3.3Å; V222-I275 HydrophobicContact CG2-CG1 4.19Å; V222-I276 PolarHBondContact O-N 2.9Å
223	N	98.5	Very high	94.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	97.1	173.2	-68.4	-37.9	0	0	0	108.1	Y49 F77 D160 A197 A198 V199 F221 M225 F373	Y49-N223 PolarHBondContact OH-ND2 3.4Å; Y49-N223 VanDerWaalsContact OH-ND2 3.16Å; F77-N223 WeakPolarHBondContact CE1-ND2 3.39Å; F77-N223 VanDerWaalsContact CZ-ND2 3.34Å; F77-N223 WeakPolarHBondContact CZ-ND2 3.42Å; D160-N223 PolarHBondContact OD1-ND2 2.94Å; A197-N223 PolarHBondContact O-N 2.92Å; A198-N223 WeakPolarHBondContact CA-O 3.13Å; V199-N223 PolarHBondContact N-O 3.34Å; F221-N223 WeakPolarHBondContact CE2-OD1 3.32Å; N223-M225 PolarHBondContact O-N 3.39Å; N223-F373 VanDerWaalsContact C-CE1 3.49Å; N223-F373 HydrophobicContact CB-CD1 3.76Å; N223-F373 HydrophobicContact CB-CE1 3.51Å; N223-F373 HydrophobicContact CB-CG 4.39Å; N223-F373 HydrophobicContact CB-CZ 3.92Å
224	V	98.4	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.6	-178.5	-172.4	0	0	0	0	109.6	V199 A201 V222 T226 V262 W265 I275 I276 G278 F373	V199-V224 HydrophobicContact CG2-CB 4.32Å; V199-V224 HydrophobicContact CG2-CG2 3.82Å; A201-V224 HydrophobicContact CB-CG1 4.46Å; V222-V224 HydrophobicContact CG2-CG2 4.05Å; V224-T226 VanDerWaalsContact C-N 3.29Å; V224-T226 HydrophobicContact CB-CG2 4.4Å; V224-T226 HydrophobicContact CG1-CG2 3.84Å; V224-T226 PolarHBondContact O-N 3.19Å; V224-V262 HydrophobicContact CB-CG1 4.37Å; V224-V262 HydrophobicContact CG1-CG1 4.33Å; V224-W265 HydrophobicContact CG2-CG 4.27Å; V224-I275 HydrophobicContact CG2-CG2 3.81Å; V224-I276 PolarHBondContact N-O 3.05Å; V224-G278 WeakPolarHBondContact O-CA 3.28Å; V224-G278 PolarHBondContact O-N 3.32Å; V224-F373 WeakPolarHBondContact O-CE1 3.19Å
225	M	98.1	Very high	95.1	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.059	16%	0.162	C	C	.	.			trans	-75.7	75.1	-176.1	-62.4	-171.5	-76.9	0	0	111.9	E164 Y165 A198 V199 A201 N223 Y227 F373	E164-M225 HydrophobicContact CG-CE 3.99Å; Y165-M225 HydrophobicContact CE1-CE 3.5Å; Y165-M225 VanDerWaalsContact CE1-CE 3.5Å; Y165-M225 VanDerWaalsContact OH-CE 3.32Å; Y165-M225 WeakPolarHBondContact OH-CE 3.36Å; A198-M225 HydrophobicContact CB-CE 4.39Å; A198-M225 HydrophobicContact CB-SD 4.24Å; V199-M225 PolarHBondContact O-N 3.14Å; A201-M225 WeakPolarHBondContact CB-O 3.34Å; N223-M225 PolarHBondContact O-N 3.39Å; M225-Y227 HydrophobicContact CB-CD2 4.46Å; M225-Y227 HydrophobicContact CB-CE1 4.25Å; M225-Y227 HydrophobicContact CB-CE2 3.8Å; M225-Y227 HydrophobicContact CG-CE2 4.23Å; M225-Y227 WeakPolarHBondContact CG-OH 3.45Å; M225-Y227 PolarHBondContact O-N 2.87Å; M225-Y227 HydrophobicContact SD-CE2 4.42Å; M225-F373 HydrophobicContact CG-CZ 4.17Å
226	T	97.6	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	18%	0.183	C	C	.	.			trans	-81.8	51.4	-177.2	44.9	0	0	0	0	113.1	A201 V224 F229 S241 T258 A261 V262 V277 G278	A201-T226 HydrophobicContact CB-CG2 4.37Å; V224-T226 VanDerWaalsContact C-N 3.29Å; V224-T226 HydrophobicContact CB-CG2 4.4Å; V224-T226 HydrophobicContact CG1-CG2 3.84Å; V224-T226 PolarHBondContact O-N 3.19Å; T226-F229 VanDerWaalsContact C-CE2 3.45Å; T226-F229 HydrophobicContact CG2-CZ 4.48Å; T226-F229 WeakPolarHBondContact O-CE2 3.41Å; T226-S241 WeakPolarHBondContact O-CB 3.31Å; T226-S241 PolarHBondContact O-OG 3.38Å; T226-T258 HydrophobicContact CG2-CG2 4.03Å; T226-A261 HydrophobicContact CG2-CB 3.98Å; T226-V262 HydrophobicContact CG2-CG1 3.98Å; T226-V277 WeakPolarHBondContact OG1-CG1 3.42Å; T226-G278 PolarHBondContact OG1-N 3.01Å; T226-G278 VanDerWaalsContact OG1-N 3.16Å; T226-G278 PolarHBondContact OG1-O 2.69Å
227	Y	97.1	Very high	95.2	Very high	18 Å²	18	41.9 Å²	41.9	7%	0.071	18%	0.18	C	C	.	.			trans	-146.2	179	175.6	41.7	-103.8	0	0	0	108.7	M225 F229 N240 P280 Y282 F373 W375	M225-Y227 HydrophobicContact CB-CD2 4.46Å; M225-Y227 HydrophobicContact CB-CE1 4.25Å; M225-Y227 HydrophobicContact CB-CE2 3.8Å; M225-Y227 HydrophobicContact CG-CE2 4.23Å; M225-Y227 WeakPolarHBondContact CG-OH 3.45Å; M225-Y227 PolarHBondContact O-N 2.87Å; M225-Y227 HydrophobicContact SD-CE2 4.42Å; Y227-F229 PolarHBondContact O-N 2.78Å; Y227-N240 CarbonylContact C-O 3.57Å; Y227-P280 HydrophobicContact CD1-CB 4.3Å; Y227-P280 HydrophobicContact CG-CB 4.23Å; Y227-Y282 VanDerWaalsContact CD2-OH 3.28Å; Y227-Y282 WeakPolarHBondContact CD2-OH 3.36Å; Y227-F373 AromaticContact CE1-CE2 3.99Å; Y227-F373 HydrophobicContact CE1-CE2 3.99Å; Y227-F373 HydrophobicContact CE1-CZ 4.01Å; Y227-W375 HydrophobicContact CE1-CB 3.92Å; Y227-W375 HydrophobicContact CE2-CB 4.46Å; Y227-W375 WeakPolarHBondContact OH-CB 3.43Å
228	D	96.2	Very high	95.3	Very high	56 Å²	56	34.6 Å²	34.6	30%	0.299	15%	0.153	S	C	.	.			trans	57.9	31.8	-173.7	-64.8	-22.2	0	0	0	113.3	H230 W233 N240 Y282 R284	D228-H230 VanDerWaalsContact C-N 3.28Å; D228-W233 HydrophobicContact CB-CH2 4.07Å; D228-N240 WeakPolarHBondContact CA-OD1 3.43Å; D228-N240 PolarHBondContact N-O 2.77Å; D228-N240 PolarHBondContact N-OD1 2.98Å; D228-N240 PolarHBondContact OD1-OD1 2.95Å; D228-Y282 PolarHBondContact OD1-OH 3.01Å; D228-Y282 PolarHBondContact OD2-OH 3.35Å; D228-R284 IonicContact OD1-CZ 3.03Å; D228-R284 IonicContact OD1-NE 2.78Å; D228-R284 PolarHBondContact OD1-NE 2.7Å; D228-R284 IonicContact OD1-NH2 2.68Å; D228-R284 PolarHBondContact OD1-NH2 3.09Å; D228-R284 IonicContact OD2-CZ 3.74Å; D228-R284 IonicContact OD2-NH2 3.82Å; D228-R284 PolarHBondContact OD2-NH2 2.87Å
229	F	95	Very high	95.5	Very high	20 Å²	20	33.2 Å²	33.2	9%	0.088	15%	0.148	C	C	.	.	S	Bend	trans	-66.7	-34.2	173.5	-73.8	-71.7	0	0	0	111.7	A201 T226 Y227 N240 M256 S257 A261	A201-F229 HydrophobicContact CB-CE1 3.92Å; A201-F229 HydrophobicContact CB-CZ 3.89Å; T226-F229 VanDerWaalsContact C-CE2 3.45Å; T226-F229 HydrophobicContact CG2-CZ 4.48Å; T226-F229 WeakPolarHBondContact O-CE2 3.41Å; Y227-F229 PolarHBondContact O-N 2.78Å; F229-N240 WeakPolarHBondContact CD2-O 2.99Å; F229-N240 PolarHBondContact N-O 3.18Å; F229-M256 HydrophobicContact CB-CB 4.22Å; F229-M256 VanDerWaalsContact CD1-CA 3.47Å; F229-M256 HydrophobicContact CD1-CB 3.89Å; F229-M256 HydrophobicContact CD1-CG 4.29Å; F229-M256 HydrophobicContact CG-CB 4.35Å; F229-S257 WeakPolarHBondContact CZ-O 3.45Å; F229-A261 HydrophobicContact CZ-CB 4.22Å
230	H	94	Very high	95.6	Very high	34 Å²	34	33 Å²	33	16%	0.157	15%	0.147	C	C	.	.	S	Bend	trans	-136	145.2	174.5	-66.6	-76.1	0	0	0	110.3	D228 E234 I239 M256 R284 W286	D228-H230 VanDerWaalsContact C-N 3.28Å; H230-E234 IonicContact CE1-OE2 3.76Å; H230-E234 IonicContact CG-OE2 2.73Å; H230-E234 IonicContact ND1-OE1 3.6Å; H230-E234 IonicContact ND1-OE2 2.79Å; H230-E234 PolarHBondContact ND1-OE2 2.87Å; H230-I239 PolarHBondContact CD2-O 3.18Å; H230-M256 VanDerWaalsContact CE1-SD 3.53Å; H230-R284 WeakPolarHBondContact O-CG 2.99Å; H230-W286 HydrophobicContact CB-CH2 3.97Å; H230-W286 HydrophobicContact CB-CZ2 4.16Å
231	G	94.3	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.134	C	C	.	.			trans	-162.7	179.7	176.8	0	0	0	0	0	112.7	W233 E234 W286	G231-W233 PolarHBondContact O-N 3.46Å; G231-E234 WeakPolarHBondContact O-CB 3.3Å; G231-E234 PolarHBondContact O-N 3.48Å; G231-W286 VanDerWaalsContact C-CE2 3.45Å; G231-W286 VanDerWaalsContact N-CZ2 3.31Å; G231-W286 WeakPolarHBondContact O-CZ2 3.38Å; G231-W286 PolarHBondContact O-NE1 3.01Å
232	S	95	Very high	95.6	Very high	25 Å²	25	30.1 Å²	30.1	18%	0.175	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.8	-172.8	55	0	0	0	0	116.1	E234 A303	S232-E234 PolarHBondContact O-N 3.5Å; S232-A303 VanDerWaalsContact CB-CA 3.42Å; S232-A303 VanDerWaalsContact CB-CB 3.45Å
233	W	94	Very high	95.4	Very high	143 Å²	143	30.8 Å²	30.8	54%	0.542	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.8	165.4	53.9	82.6	0	0	0	112.2	D228 G231	D228-W233 HydrophobicContact CB-CH2 4.07Å; G231-W233 PolarHBondContact O-N 3.46Å
234	E	93.6	Very high	94.9	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.257	16%	0.157	S	C	.	.	S	Bend	trans	-92.2	140.7	169.9	-71.8	156.4	-138.2	0	0	111.4	H230 G231 S232 R236 W286	H230-E234 IonicContact CE1-OE2 3.76Å; H230-E234 IonicContact CG-OE2 2.73Å; H230-E234 IonicContact ND1-OE1 3.6Å; H230-E234 IonicContact ND1-OE2 2.79Å; H230-E234 PolarHBondContact ND1-OE2 2.87Å; G231-E234 WeakPolarHBondContact O-CB 3.3Å; G231-E234 PolarHBondContact O-N 3.48Å; S232-E234 PolarHBondContact O-N 3.5Å; E234-R236 PolarHBondContact O-N 3.31Å; E234-W286 PolarHBondContact O-NE1 3.12Å
235	K	94.6	Very high	94.1	Very high	121 Å²	121	37 Å²	37	53%	0.526	17%	0.169	S	C	.	.	S	Bend	trans	-83.2	22.9	173.7	-61.2	-57.7	-173.9	-176	0	113.3	A300 I301	K235-A300 PolarHBondContact O-N 2.77Å; K235-I301 PolarHBondContact NZ-O 2.87Å
236	R	93.8	Very high	92.9	Very high	129 Å²	129	37.6 Å²	37.6	49%	0.487	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-142.8	146	175.8	-67.1	-174.1	174.6	-152.1	0.6	109.7	E234 W286 S298	E234-R236 PolarHBondContact O-N 3.31Å; R236-W286 PolarHBondContact O-NE1 3.3Å; R236-S298 CarbonylContact C-O 3.55Å; R236-S298 WeakPolarHBondContact CA-O 3.24Å
237	T	94.6	Very high	91.6	Very high	5 Å²	5	44 Å²	44	3%	0.031	21%	0.212	C	C	.	.			trans	-66.8	146.8	176.9	56.7	0	0	0	0	111.2	W286 L288 S295 G297 S298 W348	T237-W286 HydrophobicContact CG2-CB 4.1Å; T237-W286 HydrophobicContact CG2-CD2 4.4Å; T237-W286 HydrophobicContact CG2-CG 4.22Å; T237-L288 HydrophobicContact CG2-CD2 3.54Å; T237-S295 PolarHBondContact OG1-O 2.99Å; T237-G297 VanDerWaalsContact O-CA 3.28Å; T237-G297 WeakPolarHBondContact O-CA 3.38Å; T237-G297 PolarHBondContact O-N 3.35Å; T237-G297 PolarHBondContact OG1-N 3.43Å; T237-S298 PolarHBondContact N-O 3.22Å; T237-S298 PolarHBondContact OG1-N 3.17Å; T237-W348 HydrophobicContact CG2-CB 4.33Å; T237-W348 HydrophobicContact CG2-CD2 3.59Å; T237-W348 HydrophobicContact CG2-CE3 3.8Å; T237-W348 HydrophobicContact CG2-CG 3.85Å; T237-W348 HydrophobicContact CG2-CZ2 4.47Å; T237-W348 HydrophobicContact CG2-CZ3 4.33Å
238	G	93	Very high	90.1	Very high	1 Å²	1	48 Å²	48	1%	0.01	23%	0.231	C	C	.	.			trans	-154.8	165.4	178.5	0	0	0	0	0	111.9	W286 W348	G238-W286 WeakPolarHBondContact O-CH2 3.06Å; G238-W286 WeakPolarHBondContact O-CZ3 3.38Å; G238-W348 VanDerWaalsContact O-CH2 3.31Å; G238-W348 WeakPolarHBondContact O-CH2 3.18Å; G238-W348 VanDerWaalsContact O-CZ3 3.32Å; G238-W348 WeakPolarHBondContact O-CZ3 3.37Å
239	I	94.7	Very high	88.3	Confident	7 Å²	7	56 Å²	56	4%	0.036	26%	0.257	C	S	.	.			trans	-86.6	128.6	-177.2	-58.9	-57.3	0	0	0	110.4	H230 P242 V296 D334 T337 S339 I341 W348 S350	H230-I239 PolarHBondContact CD2-O 3.18Å; I239-P242 HydrophobicContact CB-CB 4.34Å; I239-P242 HydrophobicContact CB-CG 4.39Å; I239-P242 HydrophobicContact CG2-CB 3.79Å; I239-P242 HydrophobicContact CG2-CG 4.15Å; I239-V296 HydrophobicContact CD1-CG1 4.46Å; I239-V296 HydrophobicContact CD1-CG2 3.67Å; I239-V296 HydrophobicContact CG1-CG1 4.15Å; I239-V296 HydrophobicContact CG1-CG2 4.1Å; I239-D334 HydrophobicContact CD1-CB 4.47Å; I239-T337 HydrophobicContact CG1-CG2 4.39Å; I239-S339 VanDerWaalsContact CG2-CB 3.45Å; I239-S339 WeakPolarHBondContact CG2-OG 3.28Å; I239-I341 HydrophobicContact CD1-CG1 4.28Å; I239-W348 HydrophobicContact CD1-CH2 4.28Å; I239-S350 WeakPolarHBondContact CA-OG 3.4Å
240	N	96	Very high	87.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-63.1	-48.6	-174.6	-179.6	32	0	0	0	113.1	Y227 D228 F229 Y282 R284 S350	Y227-N240 CarbonylContact C-O 3.57Å; D228-N240 WeakPolarHBondContact CA-OD1 3.43Å; D228-N240 PolarHBondContact N-O 2.77Å; D228-N240 PolarHBondContact N-OD1 2.98Å; D228-N240 PolarHBondContact OD1-OD1 2.95Å; F229-N240 WeakPolarHBondContact CD2-O 2.99Å; F229-N240 PolarHBondContact N-O 3.18Å; N240-Y282 PolarHBondContact ND2-O 3.37Å; N240-R284 HydrophobicContact CB-CB 4.18Å; N240-R284 HydrophobicContact CB-CG 4.1Å; N240-R284 WeakPolarHBondContact OD1-CG 3.37Å; N240-S350 PolarHBondContact N-OG 2.84Å
241	S	96.1	Very high	85.9	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.014	29%	0.291	C	S	.	.	S	Bend	trans	-141.9	72.1	-174.3	179.5	0	0	0	0	110.7	T226 K360	T226-S241 WeakPolarHBondContact O-CB 3.31Å; T226-S241 PolarHBondContact O-OG 3.38Å; S241-K360 VanDerWaalsContact O-CE 3.22Å; S241-K360 WeakPolarHBondContact O-CE 3.32Å; S241-K360 PolarHBondContact O-NZ 3.38Å; S241-K360 PolarHBondContact OG-NZ 3.49Å
242	P	94.9	Very high	85	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.026	31%	0.313	C	S	.	.			trans	-74	142.3	177.1	30	-31.5	0	0	0	110.7	I239 F244 M256 T258 T337	I239-P242 HydrophobicContact CB-CB 4.34Å; I239-P242 HydrophobicContact CB-CG 4.39Å; I239-P242 HydrophobicContact CG2-CB 3.79Å; I239-P242 HydrophobicContact CG2-CG 4.15Å; P242-F244 WeakPolarHBondContact CB-O 3.26Å; P242-M256 VanDerWaalsContact CG-O 3.26Å; P242-M256 WeakPolarHBondContact CG-O 3.48Å; P242-T258 WeakPolarHBondContact O-CB 3.24Å; P242-T258 PolarHBondContact O-N 2.83Å; P242-T258 PolarHBondContact O-OG1 3.14Å; P242-T337 HydrophobicContact CB-CG2 3.94Å
243	L	93.9	Very high	84	Confident	13 Å²	13	69.1 Å²	69.1	7%	0.068	32%	0.321	C	S	.	.	S	Bend	trans	-66.7	-47	172.8	177.1	56.6	0	0	0	110.8	T258 S259 K360 W363	L243-T258 HydrophobicContact CD1-CG2 4.3Å; L243-S259 VanDerWaalsContact O-CB 3.29Å; L243-S259 WeakPolarHBondContact O-CB 3.02Å; L243-S259 PolarHBondContact O-N 3.02Å; L243-K360 HydrophobicContact CB-CG 4.1Å; L243-K360 HydrophobicContact CD1-CG 4.18Å; L243-K360 HydrophobicContact CD2-CG 4.42Å; L243-K360 HydrophobicContact CG-CG 4.45Å; L243-W363 HydrophobicContact CD1-CB 4.26Å; L243-W363 HydrophobicContact CD1-CD2 3.72Å; L243-W363 HydrophobicContact CD1-CE3 3.74Å; L243-W363 HydrophobicContact CD1-CG 3.95Å; L243-W363 HydrophobicContact CD1-CZ3 4.34Å; L243-W363 HydrophobicContact CD2-CB 4.02Å; L243-W363 HydrophobicContact CD2-CG 4.16Å
244	F	88.9	Confident	83.1	Confident	101 Å²	101	63.3 Å²	63.3	44%	0.443	30%	0.304	S	S	.	.	S	Bend	trans	-122.3	147.3	174.7	-58.3	-71.7	0	0	0	109.8	P242 G246 S257 W363	P242-F244 WeakPolarHBondContact CB-O 3.26Å; F244-G246 PolarHBondContact O-N 2.9Å; F244-S257 VanDerWaalsContact C-CB 3.48Å; F244-W363 AromaticContact CE1-NE1 3.77Å; F244-W363 AromaticContact CZ-CD1 3.66Å; F244-W363 AromaticContact CZ-NE1 3.51Å
245	A	81.5	Confident	82.6	Confident	31 Å²	31	62 Å²	62	26%	0.256	30%	0.299	S	S	.	.			trans	-62.9	136.2	173	0	0	0	0	0	109.5	S257	A245-S257 PolarHBondContact N-OG 3.03Å
246	G	72.6	Confident	82.3	Confident	23 Å²	23	58.7 Å²	58.7	24%	0.237	29%	0.287	C	S	.	.			trans	-70.8	-162	170.2	0	0	0	0	0	112	F244 H248	F244-G246 PolarHBondContact O-N 2.9Å; G246-H248 PolarHBondContact O-N 3.46Å; G246-H248 PolarHBondContact O-ND1 2.64Å; G246-H248 VanDerWaalsContact O-ND1 3.1Å
247	N	69.1	Low	82.3	Confident	135 Å²	135	52.7 Å²	52.7	72%	0.722	26%	0.264	S	S	*	.	S	Bend	trans	-63.1	108	171.2	-80.5	-32.2	0	0	0	109.6	E336	N247-E336 WeakPolarHBondContact CB-OE2 3.34Å; N247-E336 PolarHBondContact N-OE2 3.26Å; N247-E336 PolarHBondContact ND2-OE1 3.37Å
248	H	66.1	Low	82.3	Confident	103 Å²	103	52.5 Å²	52.5	48%	0.477	26%	0.263	S	S	.	.			trans	-100.9	143.4	-178.2	49.1	-86	0	0	0	110.5	G246 E253 A254	G246-H248 PolarHBondContact O-N 3.46Å; G246-H248 PolarHBondContact O-ND1 2.64Å; G246-H248 VanDerWaalsContact O-ND1 3.1Å; H248-E253 HydrophobicContact CB-CB 3.61Å; H248-A254 HydrophobicContact CB-CB 4.32Å; H248-A254 VanDerWaalsContact CD2-CB 3.46Å; H248-A254 WeakPolarHBondContact CD2-CB 3.35Å
249	R	59.2	Low	82.4	Confident	223 Å²	223	53.3 Å²	53.3	84%	0.842	27%	0.269	S	S	*	.	S	Bend	trans	-97.6	-12.1	175.6	-59.2	-177.5	-175	-160.7	0.7	112.2	E253	R249-E253 PolarHBondContact N-OE2 3.24Å
250	S	69.7	Low	82.2	Confident	40 Å²	40	54.6 Å²	54.6	28%	0.28	28%	0.279	S	S	.	.	S	Bend	trans	-139.9	158	-176.9	65.6	0	0	0	0	111.8	S252 E253 A254	S250-S252 VanDerWaalsContact C-N 3.26Å; S250-S252 PolarHBondContact O-N 3Å; S250-S252 PolarHBondContact OG-OG 2.96Å; S250-E253 PolarHBondContact O-N 2.66Å; S250-E253 VanDerWaalsContact OG-CG 3.31Å; S250-E253 WeakPolarHBondContact OG-CG 3.17Å; S250-E253 PolarHBondContact OG-N 3.39Å; S250-A254 PolarHBondContact O-N 2.57Å; S250-A254 VanDerWaalsContact O-N 3.12Å
251	Y	69.1	Low	82.2	Confident	174 Å²	174	54.6 Å²	54.6	68%	0.682	28%	0.278	S	S	*	.	H	α-helix	trans	-59.2	-39.3	173.1	-179.4	-99.1	0	0	0	111.7	E253 A254 T255	Y251-E253 PolarHBondContact O-N 3.48Å; Y251-A254 WeakPolarHBondContact O-CB 3.22Å; Y251-A254 PolarHBondContact O-N 3.05Å; Y251-A254 VanDerWaalsContact O-N 3.16Å; Y251-T255 HydrophobicContact CD1-CG2 4.42Å; Y251-T255 HydrophobicContact CE1-CG2 4.02Å; Y251-T255 WeakPolarHBondContact O-CG2 3.39Å; Y251-T255 PolarHBondContact O-N 3.27Å
252	S	74.3	Confident	82.3	Confident	66 Å²	66	54.5 Å²	54.5	46%	0.462	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-45.1	177.1	43.7	0	0	0	0	112.1	S250 A254 T255 M256	S250-S252 VanDerWaalsContact C-N 3.26Å; S250-S252 PolarHBondContact O-N 3Å; S250-S252 PolarHBondContact OG-OG 2.96Å; S252-A254 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 2.85Å; S252-T255 PolarHBondContact O-N 2.81Å; S252-T255 VanDerWaalsContact O-N 3.16Å; S252-T255 PolarHBondContact O-OG1 3.26Å; S252-M256 WeakPolarHBondContact O-CG 3.23Å
253	E	74.7	Confident	82.3	Confident	74 Å²	74	56.7 Å²	56.7	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-35.4	176.5	-74.2	167.1	-162.8	0	0	112.1	H248 R249 S250 Y251 T255 M256	H248-E253 HydrophobicContact CB-CB 3.61Å; R249-E253 PolarHBondContact N-OE2 3.24Å; S250-E253 PolarHBondContact O-N 2.66Å; S250-E253 VanDerWaalsContact OG-CG 3.31Å; S250-E253 WeakPolarHBondContact OG-CG 3.17Å; S250-E253 PolarHBondContact OG-N 3.39Å; Y251-E253 PolarHBondContact O-N 3.48Å; E253-T255 PolarHBondContact O-N 3.25Å; E253-M256 PolarHBondContact O-N 3.18Å; E253-M256 VanDerWaalsContact O-N 3.12Å
254	A	74.5	Confident	82.3	Confident	21 Å²	21	57.5 Å²	57.5	17%	0.174	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-25	175.8	0	0	0	0	0	113.1	H248 S250 Y251 S252 S260	H248-A254 HydrophobicContact CB-CB 4.32Å; H248-A254 VanDerWaalsContact CD2-CB 3.46Å; H248-A254 WeakPolarHBondContact CD2-CB 3.35Å; S250-A254 PolarHBondContact O-N 2.57Å; S250-A254 VanDerWaalsContact O-N 3.12Å; Y251-A254 WeakPolarHBondContact O-CB 3.22Å; Y251-A254 PolarHBondContact O-N 3.05Å; Y251-A254 VanDerWaalsContact O-N 3.16Å; S252-A254 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 2.85Å; A254-S260 PolarHBondContact O-OG 2.63Å
255	T	84	Confident	82.7	Confident	27 Å²	27	52.7 Å²	52.7	17%	0.166	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.9	179.3	67.4	0	0	0	0	113.9	Q203 Y251 S252 E253 S257 S260	Q203-T255 HydrophobicContact CG-CG2 4.41Å; Y251-T255 HydrophobicContact CD1-CG2 4.42Å; Y251-T255 HydrophobicContact CE1-CG2 4.02Å; Y251-T255 WeakPolarHBondContact O-CG2 3.39Å; Y251-T255 PolarHBondContact O-N 3.27Å; S252-T255 PolarHBondContact O-N 2.81Å; S252-T255 VanDerWaalsContact O-N 3.16Å; S252-T255 PolarHBondContact O-OG1 3.26Å; E253-T255 PolarHBondContact O-N 3.25Å; T255-S257 VanDerWaalsContact C-N 3.27Å; T255-S257 PolarHBondContact O-N 2.53Å; T255-S260 WeakPolarHBondContact O-CB 3.49Å
256	M	88.2	Confident	83.5	Confident	53 Å²	53	53.1 Å²	53.1	26%	0.261	27%	0.27	S	S	.	.			trans	-85.4	60.2	-175.6	-71.4	172.5	167	0	0	112.1	F229 H230 P242 S252 E253	F229-M256 HydrophobicContact CB-CB 4.22Å; F229-M256 VanDerWaalsContact CD1-CA 3.47Å; F229-M256 HydrophobicContact CD1-CB 3.89Å; F229-M256 HydrophobicContact CD1-CG 4.29Å; F229-M256 HydrophobicContact CG-CB 4.35Å; H230-M256 VanDerWaalsContact CE1-SD 3.53Å; P242-M256 VanDerWaalsContact CG-O 3.26Å; P242-M256 WeakPolarHBondContact CG-O 3.48Å; S252-M256 WeakPolarHBondContact O-CG 3.23Å; E253-M256 PolarHBondContact O-N 3.18Å; E253-M256 VanDerWaalsContact O-N 3.12Å
257	S	93	Very high	84.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	29%	0.291	C	S	.	.	S	Bend	trans	-150	159.9	173.9	73.8	0	0	0	0	113	F229 F244 A245 T255 S259 S260 A261	F229-S257 WeakPolarHBondContact CZ-O 3.45Å; F244-S257 VanDerWaalsContact C-CB 3.48Å; A245-S257 PolarHBondContact N-OG 3.03Å; T255-S257 VanDerWaalsContact C-N 3.27Å; T255-S257 PolarHBondContact O-N 2.53Å; S257-S259 VanDerWaalsContact C-N 3.34Å; S257-S259 PolarHBondContact O-N 2.66Å; S257-S260 PolarHBondContact O-N 2.94Å; S257-S260 WeakPolarHBondContact OG-CB 3.47Å; S257-S260 PolarHBondContact OG-N 2.67Å; S257-S260 PolarHBondContact OG-OG 2.83Å; S257-S260 VanDerWaalsContact OG-OG 3.06Å; S257-A261 WeakPolarHBondContact O-CB 3.43Å; S257-A261 PolarHBondContact O-N 3.04Å
258	T	95.6	Very high	85.7	Confident	1 Å²	1	53 Å²	53	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-53	-52.4	176	-57.4	0	0	0	0	110.8	T226 P242 L243 S260 A261 V262 V277 W363	T226-T258 HydrophobicContact CG2-CG2 4.03Å; P242-T258 WeakPolarHBondContact O-CB 3.24Å; P242-T258 PolarHBondContact O-N 2.83Å; P242-T258 PolarHBondContact O-OG1 3.14Å; L243-T258 HydrophobicContact CD1-CG2 4.3Å; T258-S260 PolarHBondContact O-N 3.15Å; T258-A261 PolarHBondContact O-N 2.85Å; T258-V262 WeakPolarHBondContact O-CG2 3.45Å; T258-V262 PolarHBondContact O-N 3.04Å; T258-V262 VanDerWaalsContact O-N 3.09Å; T258-V277 HydrophobicContact CG2-CG1 3.42Å; T258-V277 VanDerWaalsContact CG2-CG1 3.42Å; T258-W363 HydrophobicContact CG2-CZ3 4.47Å
259	S	93.8	Very high	87.1	Confident	19 Å²	19	50 Å²	50	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-45.2	-179.6	179.2	0	0	0	0	112.7	L243 S257 N263 W363	L243-S259 VanDerWaalsContact O-CB 3.29Å; L243-S259 WeakPolarHBondContact O-CB 3.02Å; L243-S259 PolarHBondContact O-N 3.02Å; S257-S259 VanDerWaalsContact C-N 3.34Å; S257-S259 PolarHBondContact O-N 2.66Å; S259-N263 VanDerWaalsContact O-CB 3.29Å; S259-N263 WeakPolarHBondContact O-CB 3.39Å; S259-N263 PolarHBondContact O-N 3Å; S259-N263 VanDerWaalsContact O-N 3.14Å; S259-N263 PolarHBondContact O-ND2 2.84Å; S259-N263 PolarHBondContact OG-ND2 3.15Å; S259-W363 WeakPolarHBondContact OG-CZ2 3.22Å
260	S	91.9	Very high	88.9	Confident	34 Å²	34	39.5 Å²	39.5	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-44.1	178.7	-63.8	0	0	0	0	111.8	A254 T255 S257 T258 F264	A254-S260 PolarHBondContact O-OG 2.63Å; T255-S260 WeakPolarHBondContact O-CB 3.49Å; S257-S260 PolarHBondContact O-N 2.94Å; S257-S260 WeakPolarHBondContact OG-CB 3.47Å; S257-S260 PolarHBondContact OG-N 2.67Å; S257-S260 PolarHBondContact OG-OG 2.83Å; S257-S260 VanDerWaalsContact OG-OG 3.06Å; T258-S260 PolarHBondContact O-N 3.15Å; S260-F264 WeakPolarHBondContact O-CB 3.29Å; S260-F264 PolarHBondContact O-N 3.26Å; S260-F264 VanDerWaalsContact O-N 3.12Å
261	A	95.7	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-52.5	-178.4	0	0	0	0	0	112.3	A201 T226 F229 S257 T258 F264 W265	A201-A261 HydrophobicContact CB-CB 3.69Å; A201-A261 WeakPolarHBondContact O-CB 3.31Å; T226-A261 HydrophobicContact CG2-CB 3.98Å; F229-A261 HydrophobicContact CZ-CB 4.22Å; S257-A261 WeakPolarHBondContact O-CB 3.43Å; S257-A261 PolarHBondContact O-N 3.04Å; T258-A261 PolarHBondContact O-N 2.85Å; A261-F264 WeakPolarHBondContact O-CB 3.31Å; A261-F264 PolarHBondContact O-N 3.13Å; A261-W265 PolarHBondContact O-N 3.2Å; A261-W265 VanDerWaalsContact O-N 3.13Å
262	V	97.5	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.8	-35.3	-175.6	-58.7	0	0	0	0	112.3	V224 T226 T258 F264 W265 V266 I275 V277 W363 F369	V224-V262 HydrophobicContact CB-CG1 4.37Å; V224-V262 HydrophobicContact CG1-CG1 4.33Å; T226-V262 HydrophobicContact CG2-CG1 3.98Å; T258-V262 WeakPolarHBondContact O-CG2 3.45Å; T258-V262 PolarHBondContact O-N 3.04Å; T258-V262 VanDerWaalsContact O-N 3.09Å; V262-F264 VanDerWaalsContact C-N 3.27Å; V262-F264 PolarHBondContact O-N 3.01Å; V262-W265 WeakPolarHBondContact O-CB 3.45Å; V262-W265 PolarHBondContact O-N 3.05Å; V262-V266 WeakPolarHBondContact O-CG2 3.4Å; V262-V266 PolarHBondContact O-N 3Å; V262-I275 HydrophobicContact CB-CG2 4.09Å; V262-I275 HydrophobicContact CG1-CG2 3.95Å; V262-V277 HydrophobicContact CG1-CG2 4.08Å; V262-W363 HydrophobicContact CG2-CH2 3.55Å; V262-W363 HydrophobicContact CG2-CZ3 3.96Å; V262-F369 HydrophobicContact CB-CE1 3.9Å; V262-F369 HydrophobicContact CB-CZ 3.99Å; V262-F369 HydrophobicContact CG2-CE1 3.76Å; V262-F369 HydrophobicContact CG2-CE2 3.87Å; V262-F369 HydrophobicContact CG2-CZ 3.31Å
263	N	94.5	Very high	92.5	Very high	51 Å²	51	38.1 Å²	38.1	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-69	-28.3	174.9	-74.7	-53.4	0	0	0	111.9	S259 V266 A267 R272	S259-N263 VanDerWaalsContact O-CB 3.29Å; S259-N263 WeakPolarHBondContact O-CB 3.39Å; S259-N263 PolarHBondContact O-N 3Å; S259-N263 VanDerWaalsContact O-N 3.14Å; S259-N263 PolarHBondContact O-ND2 2.84Å; S259-N263 PolarHBondContact OG-ND2 3.15Å; N263-V266 PolarHBondContact O-N 2.97Å; N263-A267 WeakPolarHBondContact O-CB 3.48Å; N263-A267 PolarHBondContact O-N 2.92Å; N263-R272 PolarHBondContact OD1-NH2 2.96Å
264	F	95.6	Very high	93.6	Very high	29 Å²	29	37.1 Å²	37.1	13%	0.127	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-40	172.3	-167.2	-103.6	0	0	0	112.2	Q203 I206 E207 S260 A261 V262 V266 A267 K268	Q203-F264 HydrophobicContact CB-CD1 3.98Å; Q203-F264 HydrophobicContact CB-CD2 4.5Å; Q203-F264 HydrophobicContact CB-CE1 3.68Å; Q203-F264 HydrophobicContact CB-CE2 4.24Å; Q203-F264 HydrophobicContact CB-CG 4.35Å; Q203-F264 HydrophobicContact CB-CZ 3.8Å; Q203-F264 VanDerWaalsContact CD-CD2 3.44Å; Q203-F264 HydrophobicContact CG-CB 4.13Å; Q203-F264 HydrophobicContact CG-CD1 3.7Å; Q203-F264 HydrophobicContact CG-CD2 3.87Å; Q203-F264 HydrophobicContact CG-CE1 3.92Å; Q203-F264 HydrophobicContact CG-CE2 4.08Å; Q203-F264 HydrophobicContact CG-CG 3.64Å; Q203-F264 HydrophobicContact CG-CZ 4.08Å; I206-F264 HydrophobicContact CB-CD1 4.13Å; I206-F264 HydrophobicContact CB-CE1 3.97Å; I206-F264 HydrophobicContact CD1-CD1 3.75Å; I206-F264 HydrophobicContact CD1-CE1 4.4Å; I206-F264 HydrophobicContact CG2-CD1 3.95Å; I206-F264 HydrophobicContact CG2-CE1 3.88Å; E207-F264 HydrophobicContact CG-CE1 3.92Å; E207-F264 HydrophobicContact CG-CZ 3.77Å; S260-F264 WeakPolarHBondContact O-CB 3.29Å; S260-F264 PolarHBondContact O-N 3.26Å; S260-F264 VanDerWaalsContact O-N 3.12Å; A261-F264 WeakPolarHBondContact O-CB 3.31Å; A261-F264 PolarHBondContact O-N 3.13Å; V262-F264 VanDerWaalsContact C-N 3.27Å; V262-F264 PolarHBondContact O-N 3.01Å; F264-V266 VanDerWaalsContact C-N 3.3Å; F264-V266 PolarHBondContact O-N 3.31Å; F264-A267 PolarHBondContact O-N 3.42Å; F264-K268 HydrophobicContact CD1-CG 4.13Å; F264-K268 HydrophobicContact CE1-CD 4.39Å; F264-K268 VanDerWaalsContact CE1-CE 3.46Å; F264-K268 HydrophobicContact CE1-CG 3.95Å; F264-K268 HydrophobicContact CZ-CD 4.4Å; F264-K268 HydrophobicContact CZ-CG 4.38Å; F264-K268 WeakPolarHBondContact O-CG 3.3Å; F264-K268 PolarHBondContact O-N 3.07Å
265	W	97.3	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-43.3	170	-85.6	98.5	0	0	0	112.2	V199 A200 I206 Y210 V212 L215 V224 A261 V262 K268 G269 M270 I275	V199-W265 HydrophobicContact CB-CH2 3.73Å; V199-W265 HydrophobicContact CB-CZ2 3.44Å; V199-W265 VanDerWaalsContact CB-CZ2 3.44Å; V199-W265 HydrophobicContact CG1-CH2 3.98Å; V199-W265 HydrophobicContact CG1-CZ2 4.21Å; V199-W265 HydrophobicContact CG2-CD2 4.42Å; V199-W265 HydrophobicContact CG2-CH2 3.8Å; V199-W265 HydrophobicContact CG2-CZ2 3.34Å; V199-W265 HydrophobicContact CG2-CZ3 4.49Å; A200-W265 PolarHBondContact O-NE1 3.27Å; I206-W265 HydrophobicContact CD1-CD2 4.44Å; I206-W265 HydrophobicContact CD1-CG 4.3Å; I206-W265 HydrophobicContact CD1-CZ2 4.33Å; I206-W265 HydrophobicContact CG1-CZ2 3.74Å; I206-W265 HydrophobicContact CG2-CZ2 4.31Å; Y210-W265 AromaticContact CD1-CH2 3.81Å; Y210-W265 HydrophobicContact CD1-CH2 3.81Å; Y210-W265 HydrophobicContact CD2-CH2 4.18Å; Y210-W265 HydrophobicContact CD2-CZ2 4.4Å; Y210-W265 HydrophobicContact CE1-CH2 4.25Å; Y210-W265 AromaticContact CG-CH2 3.75Å; Y210-W265 HydrophobicContact CG-CH2 3.75Å; Y210-W265 HydrophobicContact CG-CZ2 4.4Å; V212-W265 HydrophobicContact CB-CE3 4.38Å; V212-W265 HydrophobicContact CB-CZ3 4.2Å; V212-W265 HydrophobicContact CG1-CE3 3.67Å; V212-W265 HydrophobicContact CG1-CZ3 3.87Å; V212-W265 HydrophobicContact CG2-CE3 3.83Å; V212-W265 HydrophobicContact CG2-CH2 4.23Å; V212-W265 HydrophobicContact CG2-CZ3 3.53Å; L215-W265 HydrophobicContact CD2-CH2 4.43Å; L215-W265 HydrophobicContact CD2-CZ3 4.27Å; V224-W265 HydrophobicContact CG2-CG 4.27Å; A261-W265 PolarHBondContact O-N 3.2Å; A261-W265 VanDerWaalsContact O-N 3.13Å; V262-W265 WeakPolarHBondContact O-CB 3.45Å; V262-W265 PolarHBondContact O-N 3.05Å; W265-K268 PolarHBondContact O-N 3.48Å; W265-G269 PolarHBondContact O-N 3.18Å; W265-M270 HydrophobicContact CB-CB 4.37Å; W265-M270 HydrophobicContact CE3-CB 4.2Å; W265-M270 HydrophobicContact CE3-CE 4.41Å; W265-M270 HydrophobicContact CZ3-CE 4.35Å; W265-M270 WeakPolarHBondContact O-CB 3.47Å; W265-M270 PolarHBondContact O-N 3.22Å; W265-I275 HydrophobicContact CB-CD1 3.89Å
266	V	96.8	Very high	95.4	Very high	40 Å²	40	34.9 Å²	34.9	24%	0.242	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-47.6	173.6	176.7	0	0	0	0	111	V262 N263 F264 K268 G269 M270 R272 I275 F369	V262-V266 WeakPolarHBondContact O-CG2 3.4Å; V262-V266 PolarHBondContact O-N 3Å; N263-V266 PolarHBondContact O-N 2.97Å; F264-V266 VanDerWaalsContact C-N 3.3Å; F264-V266 PolarHBondContact O-N 3.31Å; V266-K268 PolarHBondContact O-N 2.95Å; V266-G269 PolarHBondContact O-N 2.88Å; V266-M270 WeakPolarHBondContact CA-O 3.43Å; V266-R272 HydrophobicContact CG1-CG 4.26Å; V266-R272 HydrophobicContact CG2-CG 3.61Å; V266-I275 HydrophobicContact CG2-CD1 3.5Å; V266-I275 VanDerWaalsContact CG2-CD1 3.5Å; V266-F369 HydrophobicContact CG2-CE1 4.11Å
267	A	93.8	Very high	95.9	Very high	82 Å²	82	32.3 Å²	32.3	68%	0.678	18%	0.184	S	C	*	.	H	α-helix	trans	-62.4	-29	179.2	0	0	0	0	0	113.3	N263 F264 G269	N263-A267 WeakPolarHBondContact O-CB 3.48Å; N263-A267 PolarHBondContact O-N 2.92Å; F264-A267 PolarHBondContact O-N 3.42Å; A267-G269 VanDerWaalsContact C-N 3.33Å
268	K	95.2	Very high	96.1	Very high	75 Å²	75	32.2 Å²	32.2	33%	0.326	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.7	174.2	-64.5	-65.3	-177.2	179.7	0	113.7	I206 E207 V212 P213 F264 W265 V266	I206-K268 HydrophobicContact CG2-CG 4.23Å; E207-K268 WeakPolarHBondContact OE1-CE 3.38Å; E207-K268 IonicContact OE1-NZ 3.49Å; E207-K268 PolarHBondContact OE1-NZ 3.13Å; V212-K268 HydrophobicContact CB-CB 3.84Å; V212-K268 WeakPolarHBondContact CB-O 3.3Å; V212-K268 HydrophobicContact CG1-CB 4.01Å; V212-K268 HydrophobicContact CG2-CB 3.74Å; P213-K268 WeakPolarHBondContact CD-O 3.22Å; P213-K268 WeakPolarHBondContact CG-O 3.37Å; F264-K268 HydrophobicContact CD1-CG 4.13Å; F264-K268 HydrophobicContact CE1-CD 4.39Å; F264-K268 VanDerWaalsContact CE1-CE 3.46Å; F264-K268 HydrophobicContact CE1-CG 3.95Å; F264-K268 HydrophobicContact CZ-CD 4.4Å; F264-K268 HydrophobicContact CZ-CG 4.38Å; F264-K268 WeakPolarHBondContact O-CG 3.3Å; F264-K268 PolarHBondContact O-N 3.07Å; W265-K268 PolarHBondContact O-N 3.48Å; V266-K268 PolarHBondContact O-N 2.95Å
269	G	94.4	Very high	96.3	Very high	39 Å²	39	32.2 Å²	32.2	40%	0.402	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	12.4	169.8	0	0	0	0	0	116.2	W265 V266 A267	W265-G269 PolarHBondContact O-N 3.18Å; V266-G269 PolarHBondContact O-N 2.88Å; A267-G269 VanDerWaalsContact C-N 3.33Å
270	M	96.8	Very high	96.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.177	C	C	.	.			trans	-81.7	125.9	171.8	-174.9	61.9	65.7	0	0	110.4	V212 L215 A216 V222 W265 V266 K274 I275	V212-M270 HydrophobicContact CG1-CB 3.75Å; V212-M270 HydrophobicContact CG1-CE 4.36Å; L215-M270 HydrophobicContact CD2-CE 4.4Å; L215-M270 HydrophobicContact CG-CE 4.43Å; A216-M270 HydrophobicContact CB-CE 3.86Å; A216-M270 HydrophobicContact CB-SD 3.73Å; V222-M270 HydrophobicContact CB-CE 4.46Å; V222-M270 HydrophobicContact CG1-CE 3.56Å; V222-M270 HydrophobicContact CG1-SD 4.45Å; V222-M270 HydrophobicContact CG2-CE 3.99Å; V222-M270 HydrophobicContact CG2-CG 3.98Å; V222-M270 HydrophobicContact CG2-SD 4.17Å; W265-M270 HydrophobicContact CB-CB 4.37Å; W265-M270 HydrophobicContact CE3-CB 4.2Å; W265-M270 HydrophobicContact CE3-CE 4.41Å; W265-M270 HydrophobicContact CZ3-CE 4.35Å; W265-M270 WeakPolarHBondContact O-CB 3.47Å; W265-M270 PolarHBondContact O-N 3.22Å; V266-M270 WeakPolarHBondContact CA-O 3.43Å; M270-K274 HydrophobicContact CG-CB 4.46Å; M270-K274 HydrophobicContact SD-CB 3.82Å; M270-K274 HydrophobicContact SD-CD 4.43Å; M270-I275 HydrophobicContact CB-CD1 4.15Å; M270-I275 HydrophobicContact CB-CG1 4.25Å; M270-I275 HydrophobicContact CG-CD1 3.93Å; M270-I275 HydrophobicContact CG-CG1 3.48Å; M270-I275 VanDerWaalsContact CG-CG1 3.48Å
271	P	97	Very high	96.8	Very high	43 Å²	43	29.7 Å²	29.7	28%	0.279	17%	0.166	S	C	.	.			trans	-60.6	141.8	174.6	-22.3	33.2	0	0	0	112.1	E273 K274	P271-E273 VanDerWaalsContact C-N 3.29Å; P271-E273 VanDerWaalsContact CB-CD 3.43Å; P271-E273 HydrophobicContact CB-CG 4.3Å; P271-E273 WeakPolarHBondContact CB-OE1 3.47Å; P271-E273 WeakPolarHBondContact CB-OE2 3.49Å; P271-E273 PolarHBondContact O-N 2.95Å; P271-K274 HydrophobicContact CB-CB 4.39Å; P271-K274 HydrophobicContact CB-CG 4.31Å; P271-K274 HydrophobicContact CG-CD 4.35Å; P271-K274 HydrophobicContact CG-CG 4.48Å; P271-K274 WeakPolarHBondContact O-CB 3.46Å; P271-K274 PolarHBondContact O-N 3.39Å
272	R	96.1	Very high	96.9	Very high	78 Å²	78	30.2 Å²	30.2	29%	0.294	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-59.8	-41.6	-176.5	-75	179.7	174.5	-85.7	-10.7	111.8	N263 V266 K274 I275 N367 H368 F369 G370	N263-R272 PolarHBondContact OD1-NH2 2.96Å; V266-R272 HydrophobicContact CG1-CG 4.26Å; V266-R272 HydrophobicContact CG2-CG 3.61Å; R272-K274 PolarHBondContact O-N 3Å; R272-K274 VanDerWaalsContact O-N 3.17Å; R272-I275 PolarHBondContact O-N 2.75Å; R272-N367 PolarHBondContact NH1-O 2.04Å; R272-H368 WeakPolarHBondContact CB-O 3.42Å; R272-F369 HydrophobicContact CB-CD1 4.26Å; R272-F369 HydrophobicContact CG-CD1 4.43Å; R272-F369 HydrophobicContact CG-CE1 4.18Å; R272-F369 WeakPolarHBondContact O-CA 3.37Å; R272-G370 PolarHBondContact O-N 3.3Å; R272-G370 VanDerWaalsContact O-N 3.1Å
273	E	95.9	Very high	96.9	Very high	130 Å²	130	30.2 Å²	30.2	61%	0.607	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-64.5	-15.3	177.3	68	-85.7	-157.6	0	0	113.7	P271 G370	P271-E273 VanDerWaalsContact C-N 3.29Å; P271-E273 VanDerWaalsContact CB-CD 3.43Å; P271-E273 HydrophobicContact CB-CG 4.3Å; P271-E273 WeakPolarHBondContact CB-OE1 3.47Å; P271-E273 WeakPolarHBondContact CB-OE2 3.49Å; P271-E273 PolarHBondContact O-N 2.95Å; E273-G370 VanDerWaalsContact O-CA 3.25Å; E273-G370 WeakPolarHBondContact O-CA 3.39Å
274	K	97.5	Very high	97	Very high	53 Å²	53	29.8 Å²	29.8	23%	0.23	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-98.8	2.7	174.1	-70.4	-161.2	171.9	-165.9	0	113.5	A216 V219 D220 F221 V222 M270 P271 R272	A216-K274 PolarHBondContact O-NZ 2.71Å; V219-K274 PolarHBondContact O-NZ 3.33Å; D220-K274 WeakPolarHBondContact O-CD 3.36Å; D220-K274 WeakPolarHBondContact O-CE 3.47Å; D220-K274 WeakPolarHBondContact O-CG 3.48Å; F221-K274 CarbonylContact C-O 3.53Å; F221-K274 VanDerWaalsContact CA-O 3.3Å; F221-K274 WeakPolarHBondContact CA-O 3.45Å; F221-K274 HydrophobicContact CB-CB 4.45Å; F221-K274 VanDerWaalsContact CB-O 3.26Å; F221-K274 WeakPolarHBondContact CB-O 3.44Å; V222-K274 PolarHBondContact N-O 3.3Å; M270-K274 HydrophobicContact CG-CB 4.46Å; M270-K274 HydrophobicContact SD-CB 3.82Å; M270-K274 HydrophobicContact SD-CD 4.43Å; P271-K274 HydrophobicContact CB-CB 4.39Å; P271-K274 HydrophobicContact CB-CG 4.31Å; P271-K274 HydrophobicContact CG-CD 4.35Å; P271-K274 HydrophobicContact CG-CG 4.48Å; P271-K274 WeakPolarHBondContact O-CB 3.46Å; P271-K274 PolarHBondContact O-N 3.39Å; R272-K274 PolarHBondContact O-N 3Å; R272-K274 VanDerWaalsContact O-N 3.17Å
275	I	98.3	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.5	177.8	-65.8	169.3	0	0	0	108.8	V222 V224 V262 W265 V266 M270 R272 V277 F369 G370	V222-I275 HydrophobicContact CG2-CG1 4.19Å; V224-I275 HydrophobicContact CG2-CG2 3.81Å; V262-I275 HydrophobicContact CB-CG2 4.09Å; V262-I275 HydrophobicContact CG1-CG2 3.95Å; W265-I275 HydrophobicContact CB-CD1 3.89Å; V266-I275 HydrophobicContact CG2-CD1 3.5Å; V266-I275 VanDerWaalsContact CG2-CD1 3.5Å; M270-I275 HydrophobicContact CB-CD1 4.15Å; M270-I275 HydrophobicContact CB-CG1 4.25Å; M270-I275 HydrophobicContact CG-CD1 3.93Å; M270-I275 HydrophobicContact CG-CG1 3.48Å; M270-I275 VanDerWaalsContact CG-CG1 3.48Å; R272-I275 PolarHBondContact O-N 2.75Å; I275-V277 HydrophobicContact CG2-CG2 4.4Å; I275-F369 HydrophobicContact CB-CD1 3.93Å; I275-F369 HydrophobicContact CB-CE1 4.49Å; I275-F369 HydrophobicContact CD1-CD1 4.43Å; I275-F369 HydrophobicContact CD1-CE1 4.22Å; I275-F369 HydrophobicContact CG2-CD1 3.91Å; I275-F369 HydrophobicContact CG2-CE1 4.31Å; I275-G370 PolarHBondContact O-N 3.04Å
276	I	98.5	Very high	97.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.2	173.5	-47	-47.3	0	0	0	107.5	V45 F221 V222 V224 F373	V45-I276 HydrophobicContact CB-CD1 3.67Å; V45-I276 HydrophobicContact CB-CG1 4.14Å; V45-I276 HydrophobicContact CB-CG2 4.37Å; V45-I276 HydrophobicContact CG1-CD1 4.29Å; V45-I276 HydrophobicContact CG1-CG1 4.21Å; V45-I276 HydrophobicContact CG1-CG2 4.12Å; V45-I276 HydrophobicContact CG2-CD1 3.84Å; V45-I276 HydrophobicContact CG2-CG1 4.45Å; F221-I276 HydrophobicContact CB-CD1 4.24Å; F221-I276 HydrophobicContact CB-CG1 3.96Å; F221-I276 HydrophobicContact CD2-CB 4.34Å; F221-I276 HydrophobicContact CD2-CD1 4.28Å; F221-I276 HydrophobicContact CD2-CG1 3.3Å; F221-I276 HydrophobicContact CE2-CG1 3.83Å; F221-I276 HydrophobicContact CG-CD1 4.24Å; F221-I276 HydrophobicContact CG-CG1 3.73Å; V222-I276 PolarHBondContact O-N 2.9Å; V224-I276 PolarHBondContact N-O 3.05Å; I276-F373 HydrophobicContact CB-CD1 4.39Å; I276-F373 HydrophobicContact CG2-CB 4.03Å; I276-F373 HydrophobicContact CG2-CD1 3.99Å
277	V	98.6	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.4	-170.4	-176.3	0	0	0	0	111.2	T226 T258 V262 I275 I364 F369 G371 A372 F373	T226-V277 WeakPolarHBondContact OG1-CG1 3.42Å; T258-V277 HydrophobicContact CG2-CG1 3.42Å; T258-V277 VanDerWaalsContact CG2-CG1 3.42Å; V262-V277 HydrophobicContact CG1-CG2 4.08Å; I275-V277 HydrophobicContact CG2-CG2 4.4Å; V277-I364 HydrophobicContact CB-CD1 3.6Å; V277-I364 HydrophobicContact CB-CG1 3.98Å; V277-I364 HydrophobicContact CG1-CD1 3.92Å; V277-I364 HydrophobicContact CG1-CG1 4.31Å; V277-I364 HydrophobicContact CG2-CD1 4.03Å; V277-I364 HydrophobicContact CG2-CG1 3.83Å; V277-F369 HydrophobicContact CG2-CB 4.25Å; V277-F369 HydrophobicContact CG2-CG 4.29Å; V277-G371 PolarHBondContact N-O 2.97Å; V277-A372 CarbonylContact O-C 3.6Å; V277-A372 VanDerWaalsContact O-CA 3.22Å; V277-A372 WeakPolarHBondContact O-CA 3.31Å; V277-F373 PolarHBondContact O-N 3.32Å
278	G	98.4	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.9	-177.9	0	0	0	0	0	113.8	V224 T226 F373	V224-G278 WeakPolarHBondContact O-CA 3.28Å; V224-G278 PolarHBondContact O-N 3.32Å; T226-G278 PolarHBondContact OG1-N 3.01Å; T226-G278 VanDerWaalsContact OG1-N 3.16Å; T226-G278 PolarHBondContact OG1-O 2.69Å; G278-F373 CarbonylContact C-O 3.58Å; G278-F373 VanDerWaalsContact CA-CZ 3.43Å; G278-F373 VanDerWaalsContact N-CE1 3.34Å
279	L	98.3	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.7	177.2	-56.4	180	0	0	0	109.7	F357 K360 L361 A372 F373 V374 W375	L279-F357 HydrophobicContact CB-CE1 3.95Å; L279-F357 HydrophobicContact CB-CE2 4.09Å; L279-F357 HydrophobicContact CB-CZ 3.62Å; L279-F357 HydrophobicContact CD1-CD1 4.05Å; L279-F357 HydrophobicContact CD1-CE1 4Å; L279-F357 HydrophobicContact CD1-CG 4.48Å; L279-F357 HydrophobicContact CD1-CZ 4.41Å; L279-K360 HydrophobicContact CD2-CB 3.94Å; L279-K360 HydrophobicContact CD2-CD 3.51Å; L279-K360 HydrophobicContact CD2-CG 4.34Å; L279-L361 HydrophobicContact CD1-CD2 3.77Å; L279-L361 HydrophobicContact CD1-CG 4.03Å; L279-A372 HydrophobicContact CD1-CB 3.99Å; L279-A372 HydrophobicContact CG-CB 4.41Å; L279-F373 PolarHBondContact N-O 2.82Å; L279-V374 HydrophobicContact CB-CG1 4.49Å; L279-V374 VanDerWaalsContact O-CA 3.27Å; L279-V374 WeakPolarHBondContact O-CA 3.35Å; L279-W375 PolarHBondContact O-N 2.83Å
280	P	98	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.9	178.3	33.6	-34.9	0	0	0	111.2	Y227 Y282 D352 F357 W375	Y227-P280 HydrophobicContact CD1-CB 4.3Å; Y227-P280 HydrophobicContact CG-CB 4.23Å; P280-Y282 HydrophobicContact CB-CD1 3.57Å; P280-Y282 HydrophobicContact CB-CE1 3.32Å; P280-Y282 HydrophobicContact CB-CG 4.41Å; P280-Y282 PolarHBondContact O-N 2.92Å; P280-D352 WeakPolarHBondContact CD-OD2 2.92Å; P280-F357 WeakPolarHBondContact O-CE2 3.33Å; P280-W375 WeakPolarHBondContact CA-O 3.48Å
281	T	98.2	Very high	97.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.148	C	C	.	.	S	Bend	trans	-90.3	23.4	166.2	48.4	0	0	0	0	111.2	F318 F357 V374 W375 S376 T379 D380 L397	T281-F318 VanDerWaalsContact O-CB 3.29Å; T281-F318 WeakPolarHBondContact O-CB 3.5Å; T281-F318 PolarHBondContact O-N 2.83Å; T281-F357 HydrophobicContact CG2-CE1 4.47Å; T281-F357 HydrophobicContact CG2-CZ 4.06Å; T281-V374 HydrophobicContact CG2-CB 4.14Å; T281-V374 HydrophobicContact CG2-CG1 4.21Å; T281-W375 PolarHBondContact N-O 2.86Å; T281-W375 PolarHBondContact OG1-O 2.74Å; T281-S376 PolarHBondContact OG1-N 2.77Å; T281-S376 PolarHBondContact OG1-O 2.69Å; T281-T379 CarbonylContact O-C 3.58Å; T281-T379 VanDerWaalsContact O-CB 3.29Å; T281-T379 WeakPolarHBondContact O-CB 3.46Å; T281-T379 VanDerWaalsContact O-O 3.04Å; T281-T379 PolarHBondContact O-OG1 2.88Å; T281-T379 PolarHBondContact OG1-OG1 2.89Å; T281-D380 HydrophobicContact CG2-CB 4.11Å; T281-L397 HydrophobicContact CG2-CB 4.04Å; T281-L397 HydrophobicContact CG2-CD1 3.86Å
282	Y	98	Very high	97	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	170.9	177.1	75.9	-78.3	0	0	0	109.7	Y227 D228 N240 P280 R284 V315 I316 W375	Y227-Y282 VanDerWaalsContact CD2-OH 3.28Å; Y227-Y282 WeakPolarHBondContact CD2-OH 3.36Å; D228-Y282 PolarHBondContact OD1-OH 3.01Å; D228-Y282 PolarHBondContact OD2-OH 3.35Å; N240-Y282 PolarHBondContact ND2-O 3.37Å; P280-Y282 HydrophobicContact CB-CD1 3.57Å; P280-Y282 HydrophobicContact CB-CE1 3.32Å; P280-Y282 HydrophobicContact CB-CG 4.41Å; P280-Y282 PolarHBondContact O-N 2.92Å; Y282-R284 HydrophobicContact CE2-CG 4.41Å; Y282-V315 HydrophobicContact CD2-CG1 4.11Å; Y282-I316 CarbonylContact C-O 3.54Å; Y282-I316 WeakPolarHBondContact CA-O 3.15Å; Y282-I316 VanDerWaalsContact CB-O 3.29Å; Y282-I316 WeakPolarHBondContact CB-O 3.37Å; Y282-W375 AromaticContact CD1-CD1 3.94Å; Y282-W375 WeakPolarHBondContact CD1-O 3.41Å; Y282-W375 AromaticContact CE1-CD1 3.51Å
283	G	97.7	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	168.8	175.5	0	0	0	0	0	113.6	V315 I316 S350	G283-V315 WeakPolarHBondContact O-CA 3.36Å; G283-I316 PolarHBondContact N-O 3.15Å; G283-I316 PolarHBondContact O-N 2.7Å; G283-S350 CarbonylContact C-O 3.49Å; G283-S350 WeakPolarHBondContact CA-O 3.09Å
284	R	97.8	Very high	96.5	Very high	43 Å²	43	29.5 Å²	29.5	16%	0.162	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.6	174.8	-69.6	-68.9	-174.5	-177.7	-2.4	110.6	D228 H230 N240 Y282 W286 G314 F349 S350	D228-R284 IonicContact OD1-CZ 3.03Å; D228-R284 IonicContact OD1-NE 2.78Å; D228-R284 PolarHBondContact OD1-NE 2.7Å; D228-R284 IonicContact OD1-NH2 2.68Å; D228-R284 PolarHBondContact OD1-NH2 3.09Å; D228-R284 IonicContact OD2-CZ 3.74Å; D228-R284 IonicContact OD2-NH2 3.82Å; D228-R284 PolarHBondContact OD2-NH2 2.87Å; H230-R284 WeakPolarHBondContact O-CG 2.99Å; N240-R284 HydrophobicContact CB-CB 4.18Å; N240-R284 HydrophobicContact CB-CG 4.1Å; N240-R284 WeakPolarHBondContact OD1-CG 3.37Å; Y282-R284 HydrophobicContact CE2-CG 4.41Å; R284-W286 HydrophobicContact CB-CH2 4.09Å; R284-W286 HydrophobicContact CB-CZ3 3.89Å; R284-W286 WeakPolarHBondContact O-CZ3 3.31Å; R284-G314 CarbonylContact C-O 3.51Å; R284-G314 WeakPolarHBondContact CA-O 3.37Å; R284-F349 CarbonylContact O-C 3.44Å; R284-F349 VanDerWaalsContact O-CA 3.29Å; R284-F349 WeakPolarHBondContact O-CA 3.46Å; R284-S350 PolarHBondContact N-O 3.3Å; R284-S350 PolarHBondContact O-N 3.06Å
285	G	97.7	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.8	-170.6	0	0	0	0	0	115.9	S304 G314 W348	G285-S304 WeakPolarHBondContact CA-OG 3.31Å; G285-S304 PolarHBondContact O-N 2.95Å; G285-G314 PolarHBondContact N-O 3.17Å; G285-G314 VanDerWaalsContact O-CA 3.31Å; G285-G314 WeakPolarHBondContact O-CA 3.27Å; G285-W348 CarbonylContact C-O 3.46Å; G285-W348 WeakPolarHBondContact CA-O 3.45Å
286	W	98.2	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.3	-177.8	-69.9	-99.9	0	0	0	110.9	H230 G231 E234 R236 T237 G238 R284 A300 D302 W348	H230-W286 HydrophobicContact CB-CH2 3.97Å; H230-W286 HydrophobicContact CB-CZ2 4.16Å; G231-W286 VanDerWaalsContact C-CE2 3.45Å; G231-W286 VanDerWaalsContact N-CZ2 3.31Å; G231-W286 WeakPolarHBondContact O-CZ2 3.38Å; G231-W286 PolarHBondContact O-NE1 3.01Å; E234-W286 PolarHBondContact O-NE1 3.12Å; R236-W286 PolarHBondContact O-NE1 3.3Å; T237-W286 HydrophobicContact CG2-CB 4.1Å; T237-W286 HydrophobicContact CG2-CD2 4.4Å; T237-W286 HydrophobicContact CG2-CG 4.22Å; G238-W286 WeakPolarHBondContact O-CH2 3.06Å; G238-W286 WeakPolarHBondContact O-CZ3 3.38Å; R284-W286 HydrophobicContact CB-CH2 4.09Å; R284-W286 HydrophobicContact CB-CZ3 3.89Å; R284-W286 WeakPolarHBondContact O-CZ3 3.31Å; W286-A300 HydrophobicContact CB-CB 3.77Å; W286-A300 VanDerWaalsContact CD1-CB 3.48Å; W286-A300 HydrophobicContact CG-CB 3.94Å; W286-D302 CarbonylContact C-O 3.53Å; W286-D302 WeakPolarHBondContact CA-O 3.34Å; W286-W348 HydrophobicContact CD2-CE3 4.42Å; W286-W348 AromaticContact CE3-CE3 3.49Å; W286-W348 HydrophobicContact CE3-CE3 3.49Å; W286-W348 VanDerWaalsContact CE3-CE3 3.49Å; W286-W348 AromaticContact CE3-CZ3 3.54Å; W286-W348 HydrophobicContact CE3-CZ3 3.54Å; W286-W348 HydrophobicContact CH2-CZ3 4.38Å; W286-W348 AromaticContact CZ3-CE3 3.9Å; W286-W348 HydrophobicContact CZ3-CE3 3.9Å; W286-W348 AromaticContact CZ3-CZ3 3.44Å; W286-W348 HydrophobicContact CZ3-CZ3 3.44Å; W286-W348 VanDerWaalsContact CZ3-CZ3 3.44Å; W286-W348 PolarHBondContact N-O 3.37Å; W286-W348 PolarHBondContact O-N 3.21Å
287	T	97.9	Very high	95.4	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.3	162.6	-62.5	0	0	0	0	108.7	A300 I301 D302 A303 N346 Q347	T287-A300 CarbonylContact O-C 3.57Å; T287-A300 VanDerWaalsContact O-CA 3.26Å; T287-A300 WeakPolarHBondContact O-CA 3.35Å; T287-A300 WeakPolarHBondContact O-CB 3.07Å; T287-I301 HydrophobicContact CG2-CD1 3.82Å; T287-I301 HydrophobicContact CG2-CG1 3.74Å; T287-I301 WeakPolarHBondContact O-CG1 3.38Å; T287-I301 PolarHBondContact O-N 2.8Å; T287-D302 PolarHBondContact N-O 2.99Å; T287-A303 PolarHBondContact OG1-O 3.45Å; T287-N346 CarbonylContact C-O 3.52Å; T287-N346 WeakPolarHBondContact CA-O 3.27Å; T287-N346 HydrophobicContact CG2-CB 4.46Å; T287-N346 WeakPolarHBondContact CG2-ND2 3.34Å; T287-Q347 PolarHBondContact OG1-NE2 2.9Å; T287-Q347 VanDerWaalsContact OG1-NE2 3.09Å
288	L	97.5	Very high	95.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.2	179.5	-65.9	173.7	0	0	0	111.5	T237 F294 V343 N346 W348	T237-L288 HydrophobicContact CG2-CD2 3.54Å; L288-F294 HydrophobicContact CD1-CB 4.09Å; L288-V343 HydrophobicContact CD1-CG1 4.47Å; L288-N346 PolarHBondContact N-O 3.5Å; L288-W348 HydrophobicContact CD1-CB 4.07Å; L288-W348 HydrophobicContact CD1-CG 4.47Å; L288-W348 HydrophobicContact CD2-CB 4.01Å; L288-W348 HydrophobicContact CD2-CG 4.2Å; L288-W348 HydrophobicContact CG-CB 3.83Å; L288-W348 HydrophobicContact CG-CG 4.44Å
289	L	95.9	Very high	95.1	Very high	105 Å²	105	40.2 Å²	40.2	55%	0.55	23%	0.227	S	C	.	.	S	Bend	trans	-69.8	-37.5	168.9	178.6	65.2	0	0	0	111.4	K299 I301	L289-K299 HydrophobicContact CB-CB 4.07Å; L289-K299 WeakPolarHBondContact CB-O 3.41Å; L289-K299 HydrophobicContact CD2-CB 4.02Å; L289-K299 HydrophobicContact CD2-CD 4.01Å; L289-K299 PolarHBondContact N-O 3.47Å; L289-I301 HydrophobicContact CB-CG2 3.95Å; L289-I301 HydrophobicContact CD1-CG2 3.45Å; L289-I301 VanDerWaalsContact CD1-CG2 3.45Å; L289-I301 HydrophobicContact CG-CG2 4.27Å
290	N	94.9	Very high	95	Very high	83 Å²	83	40.5 Å²	40.5	44%	0.444	23%	0.23	S	C	.	.	S	Bend	trans	-128.6	109	177.4	179.5	7.3	0	0	0	109.3	S292 D293	N290-S292 PolarHBondContact O-N 2.92Å; N290-S292 VanDerWaalsContact O-N 3.1Å; N290-S292 PolarHBondContact OD1-N 3.32Å; N290-S292 VanDerWaalsContact OD1-N 3.17Å; N290-D293 HydrophobicContact CB-CB 4.4Å; N290-D293 PolarHBondContact O-N 2.99Å
291	P	90.8	Very high	94.9	Very high	64 Å²	64	44.8 Å²	44.8	42%	0.416	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.4	-179	-25	35	0	0	0	114.5	D293 N346	P291-D293 VanDerWaalsContact C-N 3.32Å; P291-N346 HydrophobicContact CB-CB 4.45Å; P291-N346 HydrophobicContact CG-CB 3.85Å
292	S	92	Very high	94.8	Very high	99 Å²	99	49.3 Å²	49.3	69%	0.692	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.8	178.8	-55.9	0	0	0	0	113.4	N290	N290-S292 PolarHBondContact O-N 2.92Å; N290-S292 VanDerWaalsContact O-N 3.1Å; N290-S292 PolarHBondContact OD1-N 3.32Å; N290-S292 VanDerWaalsContact OD1-N 3.17Å
293	D	92.3	Very high	94.8	Very high	65 Å²	65	49.5 Å²	49.5	35%	0.348	28%	0.28	S	S	.	.			trans	-109.7	91.7	175.5	177	18.6	0	0	0	109.3	N290 P291 S295 S298	N290-D293 HydrophobicContact CB-CB 4.4Å; N290-D293 PolarHBondContact O-N 2.99Å; P291-D293 VanDerWaalsContact C-N 3.32Å; D293-S295 PolarHBondContact OD1-OG 2.81Å; D293-S298 WeakPolarHBondContact O-CB 3.22Å; D293-S298 PolarHBondContact O-OG 3.05Å; D293-S298 VanDerWaalsContact O-OG 3.1Å; D293-S298 PolarHBondContact OD1-OG 3.05Å; D293-S298 PolarHBondContact OD2-OG 3.13Å
294	F	90.6	Very high	94.7	Very high	82 Å²	82	49.6 Å²	49.6	36%	0.36	28%	0.28	S	S	.	.			trans	-111.3	18.9	-176.5	57.8	-92.9	0	0	0	113	L288 F332 V343 W348	L288-F294 HydrophobicContact CD1-CB 4.09Å; F294-F332 HydrophobicContact CD2-CD2 4.43Å; F294-F332 HydrophobicContact CD2-CE2 4.35Å; F294-F332 HydrophobicContact CE2-CD1 4.5Å; F294-F332 HydrophobicContact CE2-CD2 4.31Å; F294-F332 HydrophobicContact CE2-CE1 4.33Å; F294-F332 HydrophobicContact CE2-CE2 4.14Å; F294-F332 HydrophobicContact CE2-CG 4.48Å; F294-F332 HydrophobicContact CE2-CZ 4.15Å; F294-F332 HydrophobicContact CZ-CZ 4.38Å; F294-V343 HydrophobicContact CB-CG1 4.23Å; F294-V343 HydrophobicContact CB-CG2 3.87Å; F294-V343 HydrophobicContact CD2-CG2 4.36Å; F294-V343 HydrophobicContact CG-CG2 4.31Å; F294-W348 PolarHBondContact O-NE1 3.16Å
295	S	90.4	Very high	94.7	Very high	64 Å²	64	52.8 Å²	52.8	45%	0.448	30%	0.3	S	S	.	.	S	Bend	trans	-69.4	167.4	176.1	63.8	0	0	0	0	111.9	T237 D293 G297 S298	T237-S295 PolarHBondContact OG1-O 2.99Å; D293-S295 PolarHBondContact OD1-OG 2.81Å; S295-G297 PolarHBondContact O-N 2.89Å; S295-S298 PolarHBondContact N-OG 3.49Å; S295-S298 WeakPolarHBondContact O-CB 3.28Å; S295-S298 PolarHBondContact O-N 2.75Å; S295-S298 PolarHBondContact O-OG 3.31Å; S295-S298 PolarHBondContact OG-OG 2.96Å
296	V	90.5	Very high	94.5	Very high	59 Å²	59	56 Å²	56	36%	0.358	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	129.8	169.2	-176.9	0	0	0	0	108.2	I239 D334 I341 W348	I239-V296 HydrophobicContact CD1-CG1 4.46Å; I239-V296 HydrophobicContact CD1-CG2 3.67Å; I239-V296 HydrophobicContact CG1-CG1 4.15Å; I239-V296 HydrophobicContact CG1-CG2 4.1Å; V296-D334 HydrophobicContact CG2-CB 4.36Å; V296-I341 HydrophobicContact CG2-CD1 3.7Å; V296-W348 HydrophobicContact CG2-CZ2 4.42Å
297	G	90.4	Very high	94.3	Very high	31 Å²	31	57.4 Å²	57.4	32%	0.32	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	0.7	-176.6	0	0	0	0	0	115.1	T237 S295	T237-G297 VanDerWaalsContact O-CA 3.28Å; T237-G297 WeakPolarHBondContact O-CA 3.38Å; T237-G297 PolarHBondContact O-N 3.35Å; T237-G297 PolarHBondContact OG1-N 3.43Å; S295-G297 PolarHBondContact O-N 2.89Å
298	S	93.1	Very high	94	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.014	35%	0.35	C	S	.	.			trans	-59.7	147	173.9	-59.9	0	0	0	0	111.5	R236 T237 D293 S295	R236-S298 CarbonylContact C-O 3.55Å; R236-S298 WeakPolarHBondContact CA-O 3.24Å; T237-S298 PolarHBondContact N-O 3.22Å; T237-S298 PolarHBondContact OG1-N 3.17Å; D293-S298 WeakPolarHBondContact O-CB 3.22Å; D293-S298 PolarHBondContact O-OG 3.05Å; D293-S298 VanDerWaalsContact O-OG 3.1Å; D293-S298 PolarHBondContact OD1-OG 3.05Å; D293-S298 PolarHBondContact OD2-OG 3.13Å; S295-S298 PolarHBondContact N-OG 3.49Å; S295-S298 WeakPolarHBondContact O-CB 3.28Å; S295-S298 PolarHBondContact O-N 2.75Å; S295-S298 PolarHBondContact O-OG 3.31Å; S295-S298 PolarHBondContact OG-OG 2.96Å
299	K	96.3	Very high	93.7	Very high	122 Å²	122	62.8 Å²	62.8	53%	0.53	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-68.2	135.2	-178.1	-67.9	-179.6	-178.8	177.1	0	111.1	L289	L289-K299 HydrophobicContact CB-CB 4.07Å; L289-K299 WeakPolarHBondContact CB-O 3.41Å; L289-K299 HydrophobicContact CD2-CB 4.02Å; L289-K299 HydrophobicContact CD2-CD 4.01Å; L289-K299 PolarHBondContact N-O 3.47Å
300	A	96.3	Very high	93.5	Very high	7 Å²	7	58.8 Å²	58.8	6%	0.058	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.5	176.5	0	0	0	0	0	110.8	K235 W286 T287	K235-A300 PolarHBondContact O-N 2.77Å; W286-A300 HydrophobicContact CB-CB 3.77Å; W286-A300 VanDerWaalsContact CD1-CB 3.48Å; W286-A300 HydrophobicContact CG-CB 3.94Å; T287-A300 CarbonylContact O-C 3.57Å; T287-A300 VanDerWaalsContact O-CA 3.26Å; T287-A300 WeakPolarHBondContact O-CA 3.35Å; T287-A300 WeakPolarHBondContact O-CB 3.07Å
301	I	96.2	Very high	93.4	Very high	89 Å²	89	61.9 Å²	61.9	46%	0.456	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-33.3	176.8	55.6	174.4	0	0	0	111.8	K235 T287 L289	K235-I301 PolarHBondContact NZ-O 2.87Å; T287-I301 HydrophobicContact CG2-CD1 3.82Å; T287-I301 HydrophobicContact CG2-CG1 3.74Å; T287-I301 WeakPolarHBondContact O-CG1 3.38Å; T287-I301 PolarHBondContact O-N 2.8Å; L289-I301 HydrophobicContact CB-CG2 3.95Å; L289-I301 HydrophobicContact CD1-CG2 3.45Å; L289-I301 VanDerWaalsContact CD1-CG2 3.45Å; L289-I301 HydrophobicContact CG-CG2 4.27Å
302	D	96.1	Very high	93.4	Very high	97 Å²	97	60.5 Å²	60.5	52%	0.519	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-178.7	-175.3	-144.4	-21.8	0	0	0	112.3	W286 T287	W286-D302 CarbonylContact C-O 3.53Å; W286-D302 WeakPolarHBondContact CA-O 3.34Å; T287-D302 PolarHBondContact N-O 2.99Å
303	A	97.3	Very high	93.6	Very high	14 Å²	14	59.6 Å²	59.6	12%	0.116	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	153.5	163.7	0	0	0	0	0	111.4	S232 T287 P313	S232-A303 VanDerWaalsContact CB-CA 3.42Å; S232-A303 VanDerWaalsContact CB-CB 3.45Å; T287-A303 PolarHBondContact OG1-O 3.45Å; A303-P313 HydrophobicContact CB-CB 4.03Å
304	S	97.4	Very high	93.8	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.3	153.6	166.7	61.8	0	0	0	0	110.4	G285 P313 G314 Q347 F349	G285-S304 WeakPolarHBondContact CA-OG 3.31Å; G285-S304 PolarHBondContact O-N 2.95Å; S304-P313 CarbonylContact O-C 3.52Å; S304-P313 WeakPolarHBondContact O-CA 3.43Å; S304-G314 PolarHBondContact O-N 3.3Å; S304-G314 VanDerWaalsContact OG-CA 3.25Å; S304-G314 WeakPolarHBondContact OG-CA 3.2Å; S304-G314 PolarHBondContact OG-N 2.94Å; S304-Q347 VanDerWaalsContact CB-OE1 3.29Å; S304-F349 VanDerWaalsContact CB-CZ 3.49Å; S304-F349 WeakPolarHBondContact OG-CE1 3.33Å; S304-F349 WeakPolarHBondContact OG-CZ 3.08Å
305	L	96.4	Very high	94.1	Very high	110 Å²	110	53.9 Å²	53.9	58%	0.576	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-61.4	145.7	177.2	-62.9	175.8	0	0	0	111
306	P	94.3	Very high	94.5	Very high	68 Å²	68	50.8 Å²	50.8	44%	0.442	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63	138.8	174.5	26.8	-33.4	0	0	0	110.7	P313	P306-P313 HydrophobicContact CB-CG 4.36Å; P306-P313 HydrophobicContact CG-CG 4.41Å
307	L	94.2	Very high	94.8	Very high	30 Å²	30	48 Å²	48	16%	0.157	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-93.9	171.9	177.4	-62.2	178.1	0	0	0	111.9	Y309 R311 I316 E320 L324 F349	L307-Y309 VanDerWaalsContact C-N 3.27Å; L307-Y309 PolarHBondContact O-N 2.79Å; L307-Y309 VanDerWaalsContact O-N 3.16Å; L307-R311 VanDerWaalsContact O-CA 3.3Å; L307-R311 WeakPolarHBondContact O-CA 3.13Å; L307-R311 WeakPolarHBondContact O-CG 3.18Å; L307-R311 PolarHBondContact O-N 3.37Å; L307-R311 VanDerWaalsContact O-N 3.11Å; L307-I316 HydrophobicContact CD1-CB 4.16Å; L307-I316 HydrophobicContact CD1-CD1 3.76Å; L307-I316 HydrophobicContact CD1-CG1 3.65Å; L307-E320 HydrophobicContact CB-CG 4.31Å; L307-E320 VanDerWaalsContact CB-OE1 3.3Å; L307-E320 WeakPolarHBondContact CB-OE1 3.48Å; L307-E320 HydrophobicContact CD1-CB 3.78Å; L307-E320 HydrophobicContact CD1-CG 4.26Å; L307-L324 HydrophobicContact CD1-CD1 3.97Å; L307-L324 HydrophobicContact CD1-CG 4.36Å; L307-L324 HydrophobicContact CD2-CD1 4.25Å; L307-L324 HydrophobicContact CD2-CD2 4.12Å; L307-L324 HydrophobicContact CD2-CG 4.44Å; L307-F349 HydrophobicContact CD1-CZ 4.33Å
308	N	90.2	Very high	95.2	Very high	100 Å²	100	46.7 Å²	46.7	54%	0.535	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32	-166.2	-71.7	-10	0	0	0	114.5	P58 R311	P58-N308 WeakPolarHBondContact CG-O 3.33Å; N308-R311 PolarHBondContact O-NE 3.06Å
309	Y	92.6	Very high	95.3	Very high	26 Å²	26	46.6 Å²	46.6	10%	0.102	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-52.1	-169.5	-53.2	-80.8	0	0	0	112.4	R57 P58 Y59 N60 L307 R311 Y319 E320 E323 F386	R57-Y309 WeakPolarHBondContact CG-O 3.43Å; P58-Y309 WeakPolarHBondContact CD-O 3.22Å; Y59-Y309 HydrophobicContact CD2-CD1 4.47Å; Y59-Y309 HydrophobicContact CD2-CE1 4.25Å; N60-Y309 HydrophobicContact CB-CE1 4.15Å; L307-Y309 VanDerWaalsContact C-N 3.27Å; L307-Y309 PolarHBondContact O-N 2.79Å; L307-Y309 VanDerWaalsContact O-N 3.16Å; Y309-R311 VanDerWaalsContact C-N 3.33Å; Y309-Y319 WeakPolarHBondContact CB-OH 3.43Å; Y309-Y319 HydrophobicContact CD2-CD2 4.28Å; Y309-Y319 AromaticContact CD2-CE2 3.64Å; Y309-Y319 HydrophobicContact CD2-CE2 3.64Å; Y309-Y319 HydrophobicContact CE2-CE2 4.44Å; Y309-Y319 AromaticContact CG-CE2 3.76Å; Y309-Y319 HydrophobicContact CG-CE2 3.76Å; Y309-E320 WeakPolarHBondContact CA-OE1 3.34Å; Y309-E320 WeakPolarHBondContact CB-OE1 3.48Å; Y309-E320 HydrophobicContact CD2-CG 3.81Å; Y309-E320 PolarHBondContact N-OE1 3.49Å; Y309-E323 HydrophobicContact CE2-CG 4.4Å; Y309-F386 HydrophobicContact CE1-CE1 4.19Å; Y309-F386 HydrophobicContact CE1-CZ 4.42Å; Y309-F386 AromaticContact CE2-CE1 3.87Å; Y309-F386 HydrophobicContact CE2-CE1 3.87Å; Y309-F386 AromaticContact CZ-CE1 3.64Å
310	T	92.2	Very high	95.3	Very high	21 Å²	21	41 Å²	41	13%	0.129	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-33.5	178.1	54	0	0	0	0	111.8	A312 A317 E320	T310-A312 PolarHBondContact O-N 3.48Å; T310-A317 HydrophobicContact CG2-CB 3.64Å; T310-E320 WeakPolarHBondContact CB-OE2 3.22Å; T310-E320 WeakPolarHBondContact CG2-OE2 3.45Å; T310-E320 PolarHBondContact N-OE1 3.27Å; T310-E320 PolarHBondContact OG1-OE1 3.35Å; T310-E320 PolarHBondContact OG1-OE2 3.49Å
311	R	92.2	Very high	95.4	Very high	149 Å²	149	40.7 Å²	40.7	56%	0.562	22%	0.22	S	C	*	.			trans	52.4	25.1	179.6	-61.8	-175.5	175.8	-178	-0.1	114.4	L307 N308 Y309	L307-R311 VanDerWaalsContact O-CA 3.3Å; L307-R311 WeakPolarHBondContact O-CA 3.13Å; L307-R311 WeakPolarHBondContact O-CG 3.18Å; L307-R311 PolarHBondContact O-N 3.37Å; L307-R311 VanDerWaalsContact O-N 3.11Å; N308-R311 PolarHBondContact O-NE 3.06Å; Y309-R311 VanDerWaalsContact C-N 3.33Å
312	A	90.7	Very high	95.3	Very high	34 Å²	34	36.6 Å²	36.6	28%	0.281	20%	0.199	S	C	.	.			trans	-110.8	119	-179.7	0	0	0	0	0	110	T310 G314 V315	T310-A312 PolarHBondContact O-N 3.48Å; A312-G314 PolarHBondContact O-N 2.84Å; A312-V315 HydrophobicContact CB-CB 4.02Å; A312-V315 HydrophobicContact CB-CG2 4.18Å; A312-V315 PolarHBondContact O-N 2.77Å
313	P	95.8	Very high	95.2	Very high	81 Å²	81	33.8 Å²	33.8	53%	0.526	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	136.7	175.4	-24.1	33.4	0	0	0	111.6	A303 S304 P306 V315	A303-P313 HydrophobicContact CB-CB 4.03Å; S304-P313 CarbonylContact O-C 3.52Å; S304-P313 WeakPolarHBondContact O-CA 3.43Å; P306-P313 HydrophobicContact CB-CG 4.36Å; P306-P313 HydrophobicContact CG-CG 4.41Å; P313-V315 VanDerWaalsContact C-N 3.28Å; P313-V315 PolarHBondContact O-N 3.19Å
314	G	96.9	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	12.2	179.3	0	0	0	0	0	115.6	R284 G285 S304 A312	R284-G314 CarbonylContact C-O 3.51Å; R284-G314 WeakPolarHBondContact CA-O 3.37Å; G285-G314 PolarHBondContact N-O 3.17Å; G285-G314 VanDerWaalsContact O-CA 3.31Å; G285-G314 WeakPolarHBondContact O-CA 3.27Å; S304-G314 PolarHBondContact O-N 3.3Å; S304-G314 VanDerWaalsContact OG-CA 3.25Å; S304-G314 WeakPolarHBondContact OG-CA 3.2Å; S304-G314 PolarHBondContact OG-N 2.94Å; A312-G314 PolarHBondContact O-N 2.84Å
315	V	96.9	Very high	95	Very high	26 Å²	26	36.4 Å²	36.4	16%	0.158	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.3	178.3	179.9	0	0	0	0	109.7	Y282 G283 A312 P313	Y282-V315 HydrophobicContact CD2-CG1 4.11Å; G283-V315 WeakPolarHBondContact O-CA 3.36Å; A312-V315 HydrophobicContact CB-CB 4.02Å; A312-V315 HydrophobicContact CB-CG2 4.18Å; A312-V315 PolarHBondContact O-N 2.77Å; P313-V315 VanDerWaalsContact C-N 3.28Å; P313-V315 PolarHBondContact O-N 3.19Å
316	I	97.5	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.4	172.5	-175.3	163.1	0	0	0	109.6	Y282 G283 L307 E320 L324 L342 F349	Y282-I316 CarbonylContact C-O 3.54Å; Y282-I316 WeakPolarHBondContact CA-O 3.15Å; Y282-I316 VanDerWaalsContact CB-O 3.29Å; Y282-I316 WeakPolarHBondContact CB-O 3.37Å; G283-I316 PolarHBondContact N-O 3.15Å; G283-I316 PolarHBondContact O-N 2.7Å; L307-I316 HydrophobicContact CD1-CB 4.16Å; L307-I316 HydrophobicContact CD1-CD1 3.76Å; L307-I316 HydrophobicContact CD1-CG1 3.65Å; I316-E320 HydrophobicContact CD1-CB 4.43Å; I316-E320 HydrophobicContact CG1-CB 3.73Å; I316-L324 HydrophobicContact CD1-CD1 3.66Å; I316-L342 HydrophobicContact CD1-CD2 3.97Å; I316-F349 HydrophobicContact CB-CD1 3.56Å; I316-F349 HydrophobicContact CB-CE1 3.75Å; I316-F349 HydrophobicContact CB-CG 4.28Å; I316-F349 HydrophobicContact CD1-CD1 4.07Å; I316-F349 HydrophobicContact CD1-CD2 4.19Å; I316-F349 HydrophobicContact CD1-CE1 4.25Å; I316-F349 HydrophobicContact CD1-CE2 4.4Å; I316-F349 HydrophobicContact CD1-CG 4.03Å; I316-F349 HydrophobicContact CD1-CZ 4.42Å; I316-F349 HydrophobicContact CG1-CD1 4.42Å; I316-F349 HydrophobicContact CG2-CB 3.94Å; I316-F349 HydrophobicContact CG2-CD1 3.43Å; I316-F349 VanDerWaalsContact CG2-CD1 3.43Å; I316-F349 HydrophobicContact CG2-CE1 4.17Å; I316-F349 HydrophobicContact CG2-CG 3.94Å
317	A	97.8	Very high	94.7	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	153.6	168	0	0	0	0	0	110.9	T310 Y319 E320 S321 T379	T310-A317 HydrophobicContact CG2-CB 3.64Å; A317-Y319 HydrophobicContact CB-CD1 3.63Å; A317-Y319 HydrophobicContact CB-CD2 4.3Å; A317-Y319 HydrophobicContact CB-CE1 3.31Å; A317-Y319 HydrophobicContact CB-CE2 4.02Å; A317-Y319 HydrophobicContact CB-CG 4.09Å; A317-Y319 PolarHBondContact O-N 3.27Å; A317-E320 HydrophobicContact CB-CB 4.27Å; A317-E320 HydrophobicContact CB-CG 4.21Å; A317-E320 PolarHBondContact N-OE2 3.39Å; A317-E320 WeakPolarHBondContact O-CA 3.18Å; A317-E320 WeakPolarHBondContact O-CB 2.97Å; A317-E320 PolarHBondContact O-N 2.87Å; A317-S321 PolarHBondContact O-N 2.8Å; A317-S321 VanDerWaalsContact O-N 3.09Å; A317-T379 HydrophobicContact CB-CG2 4.11Å
318	F	97.8	Very high	94.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-54.6	-42.8	175.1	177.1	-105.8	0	0	0	111.6	T281 E320 S321 C322 Y351 D352 D353 T379 D380 Y390 P396 L397	T281-F318 VanDerWaalsContact O-CB 3.29Å; T281-F318 WeakPolarHBondContact O-CB 3.5Å; T281-F318 PolarHBondContact O-N 2.83Å; F318-E320 VanDerWaalsContact C-N 3.29Å; F318-E320 PolarHBondContact O-N 2.92Å; F318-S321 WeakPolarHBondContact O-CB 3.41Å; F318-S321 PolarHBondContact O-N 2Å; F318-S321 VanDerWaalsContact O-N 3.12Å; F318-S321 PolarHBondContact O-OG 3.06Å; F318-C322 PolarHBondContact O-N 3.09Å; F318-Y351 AromaticContact CD2-CD2 3.97Å; F318-Y351 HydrophobicContact CD2-CD2 3.97Å; F318-Y351 AromaticContact CD2-CE2 3.95Å; F318-Y351 HydrophobicContact CD2-CE2 3.95Å; F318-Y351 HydrophobicContact CE2-CD2 4.41Å; F318-Y351 AromaticContact CE2-CE2 3.99Å; F318-Y351 HydrophobicContact CE2-CE2 3.99Å; F318-D352 WeakPolarHBondContact CD2-O 3.36Å; F318-D353 HydrophobicContact CE2-CB 4.3Å; F318-T379 WeakPolarHBondContact CB-O 3.42Å; F318-T379 PolarHBondContact N-O 2.6Å; F318-D380 WeakPolarHBondContact CD1-OD1 3.15Å; F318-Y390 AromaticContact CE1-CE2 3.87Å; F318-Y390 HydrophobicContact CE1-CE2 3.87Å; F318-Y390 AromaticContact CZ-CE2 3.63Å; F318-Y390 HydrophobicContact CZ-CE2 3.63Å; F318-P396 HydrophobicContact CD1-CG 4.26Å; F318-P396 HydrophobicContact CE1-CG 3.58Å; F318-P396 HydrophobicContact CZ-CG 4.47Å; F318-L397 HydrophobicContact CB-CD1 3.89Å; F318-L397 HydrophobicContact CD1-CD1 4.04Å; F318-L397 HydrophobicContact CD1-CG 4.04Å; F318-L397 HydrophobicContact CD2-CD1 3.63Å; F318-L397 HydrophobicContact CD2-CD2 4.32Å; F318-L397 HydrophobicContact CD2-CG 4.15Å; F318-L397 HydrophobicContact CE1-CD1 4.5Å; F318-L397 HydrophobicContact CE1-CD2 4.42Å; F318-L397 HydrophobicContact CE1-CG 4.1Å; F318-L397 HydrophobicContact CE2-CD1 4.13Å; F318-L397 HydrophobicContact CE2-CD2 3.96Å; F318-L397 HydrophobicContact CE2-CG 4.19Å; F318-L397 HydrophobicContact CG-CD1 3.56Å; F318-L397 HydrophobicContact CG-CG 4.06Å; F318-L397 HydrophobicContact CZ-CD2 3.99Å; F318-L397 HydrophobicContact CZ-CG 4.14Å
319	Y	96.4	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-29.8	176.6	67.9	-105.2	0	0	0	113.8	R57 Y309 A317 S321 C322 E323 D378 T379 D380 F382 F386	R57-Y319 PolarHBondContact NH1-OH 3.11Å; R57-Y319 VanDerWaalsContact NH1-OH 3.14Å; Y309-Y319 WeakPolarHBondContact CB-OH 3.43Å; Y309-Y319 HydrophobicContact CD2-CD2 4.28Å; Y309-Y319 AromaticContact CD2-CE2 3.64Å; Y309-Y319 HydrophobicContact CD2-CE2 3.64Å; Y309-Y319 HydrophobicContact CE2-CE2 4.44Å; Y309-Y319 AromaticContact CG-CE2 3.76Å; Y309-Y319 HydrophobicContact CG-CE2 3.76Å; A317-Y319 HydrophobicContact CB-CD1 3.63Å; A317-Y319 HydrophobicContact CB-CD2 4.3Å; A317-Y319 HydrophobicContact CB-CE1 3.31Å; A317-Y319 HydrophobicContact CB-CE2 4.02Å; A317-Y319 HydrophobicContact CB-CG 4.09Å; A317-Y319 PolarHBondContact O-N 3.27Å; Y319-S321 VanDerWaalsContact C-N 3.33Å; Y319-C322 PolarHBondContact O-N 2.87Å; Y319-E323 PolarHBondContact O-N 3.41Å; Y319-D378 VanDerWaalsContact CE1-O 3.26Å; Y319-D378 WeakPolarHBondContact CE1-O 3.47Å; Y319-T379 WeakPolarHBondContact CD1-O 3.26Å; Y319-T379 PolarHBondContact N-O 3.3Å; Y319-D380 WeakPolarHBondContact CD1-O 3.28Å; Y319-F382 HydrophobicContact CE1-CE1 4.3Å; Y319-F386 VanDerWaalsContact CB-CD2 3.48Å; Y319-F386 HydrophobicContact CD2-CD1 4.13Å; Y319-F386 AromaticContact CD2-CD2 3.99Å; Y319-F386 HydrophobicContact CD2-CD2 3.99Å; Y319-F386 HydrophobicContact CD2-CE1 4.08Å; Y319-F386 AromaticContact CD2-CE2 3.94Å; Y319-F386 HydrophobicContact CD2-CE2 3.94Å; Y319-F386 HydrophobicContact CD2-CG 4.08Å; Y319-F386 AromaticContact CD2-CZ 3.95Å; Y319-F386 HydrophobicContact CD2-CZ 3.95Å; Y319-F386 HydrophobicContact CE2-CZ 4.32Å; Y319-F386 AromaticContact CG-CD2 3.84Å; Y319-F386 HydrophobicContact CG-CD2 3.84Å; Y319-F386 HydrophobicContact CG-CE2 4.03Å; Y319-F386 HydrophobicContact CG-CG 4.18Å
320	E	96.8	Very high	95.1	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-71.2	-29.1	174	-79.7	174.9	152.2	0	0	112.2	L307 Y309 T310 I316 A317 F318 C322 E323 L324	L307-E320 HydrophobicContact CB-CG 4.31Å; L307-E320 VanDerWaalsContact CB-OE1 3.3Å; L307-E320 WeakPolarHBondContact CB-OE1 3.48Å; L307-E320 HydrophobicContact CD1-CB 3.78Å; L307-E320 HydrophobicContact CD1-CG 4.26Å; Y309-E320 WeakPolarHBondContact CA-OE1 3.34Å; Y309-E320 WeakPolarHBondContact CB-OE1 3.48Å; Y309-E320 HydrophobicContact CD2-CG 3.81Å; Y309-E320 PolarHBondContact N-OE1 3.49Å; T310-E320 WeakPolarHBondContact CB-OE2 3.22Å; T310-E320 WeakPolarHBondContact CG2-OE2 3.45Å; T310-E320 PolarHBondContact N-OE1 3.27Å; T310-E320 PolarHBondContact OG1-OE1 3.35Å; T310-E320 PolarHBondContact OG1-OE2 3.49Å; I316-E320 HydrophobicContact CD1-CB 4.43Å; I316-E320 HydrophobicContact CG1-CB 3.73Å; A317-E320 HydrophobicContact CB-CB 4.27Å; A317-E320 HydrophobicContact CB-CG 4.21Å; A317-E320 PolarHBondContact N-OE2 3.39Å; A317-E320 WeakPolarHBondContact O-CA 3.18Å; A317-E320 WeakPolarHBondContact O-CB 2.97Å; A317-E320 PolarHBondContact O-N 2.87Å; F318-E320 VanDerWaalsContact C-N 3.29Å; F318-E320 PolarHBondContact O-N 2.92Å; E320-C322 VanDerWaalsContact C-N 3.28Å; E320-C322 PolarHBondContact O-N 2.99Å; E320-E323 PolarHBondContact O-N 2.6Å; E320-L324 PolarHBondContact O-N 2.9Å
321	S	96.7	Very high	95.1	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-39.1	173.1	80.9	0	0	0	0	111.6	A317 F318 Y319 L324 L325 Y351	A317-S321 PolarHBondContact O-N 2.8Å; A317-S321 VanDerWaalsContact O-N 3.09Å; F318-S321 WeakPolarHBondContact O-CB 3.41Å; F318-S321 PolarHBondContact O-N 2Å; F318-S321 VanDerWaalsContact O-N 3.12Å; F318-S321 PolarHBondContact O-OG 3.06Å; Y319-S321 VanDerWaalsContact C-N 3.33Å; S321-L324 PolarHBondContact O-N 3.38Å; S321-L325 WeakPolarHBondContact O-CG 3.16Å; S321-L325 PolarHBondContact O-N 2.9Å; S321-Y351 WeakPolarHBondContact OG-CE2 3.43Å
322	C	95.9	Very high	95.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-67.1	-38.3	176.1	-62.1	0	0	0	0	112.2	F318 Y319 E320 L325 K326 F386 C387 Q389	F318-C322 PolarHBondContact O-N 3.09Å; Y319-C322 PolarHBondContact O-N 2.87Å; E320-C322 VanDerWaalsContact C-N 3.28Å; E320-C322 PolarHBondContact O-N 2.99Å; C322-L325 PolarHBondContact O-N 2.86Å; C322-K326 WeakPolarHBondContact O-CG 3.4Å; C322-K326 PolarHBondContact O-N 2.91Å; C322-K326 VanDerWaalsContact O-N 3.08Å; C322-F386 VanDerWaalsContact CB-O 3.29Å; C322-F386 WeakPolarHBondContact CB-O 3.46Å; C322-C387 HydrophobicContact CB-CB 3.85Å; C322-C387 WeakPolarHBondContact CB-SG 3.31Å; C322-C387 WeakPolarHBondContact SG-CB 3.25Å; C322-C387 CovalentContact SG-SG 2.03Å; C322-C387 PolarHBondContact SG-SG 3.15Å; C322-Q389 PolarHBondContact SG-NE2 2.78Å
323	E	93.5	Very high	95.2	Very high	38 Å²	38	40.8 Å²	40.8	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-43.2	174.5	-70.8	-72.2	108.2	0	0	111.8	Y309 Y319 E320 L325 K326 Q327 F386	Y309-E323 HydrophobicContact CE2-CG 4.4Å; Y319-E323 PolarHBondContact O-N 3.41Å; E320-E323 PolarHBondContact O-N 2.6Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-L325 PolarHBondContact O-N 3.24Å; E323-K326 WeakPolarHBondContact O-CB 3.39Å; E323-K326 PolarHBondContact O-N 3.43Å; E323-K326 IonicContact OE1-NZ 2.7Å; E323-K326 PolarHBondContact OE1-NZ 2.73Å; E323-Q327 VanDerWaalsContact O-CG 3.29Å; E323-Q327 WeakPolarHBondContact O-CG 3.45Å; E323-Q327 PolarHBondContact O-N 2.78Å; E323-F386 HydrophobicContact CG-CD1 3.9Å
324	L	94.9	Very high	94.9	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-37.6	175.4	-75.9	-172.5	0	0	0	112.3	L307 I316 E320 S321 Q327 G328 A329 L342 F349	L307-L324 HydrophobicContact CD1-CD1 3.97Å; L307-L324 HydrophobicContact CD1-CG 4.36Å; L307-L324 HydrophobicContact CD2-CD1 4.25Å; L307-L324 HydrophobicContact CD2-CD2 4.12Å; L307-L324 HydrophobicContact CD2-CG 4.44Å; I316-L324 HydrophobicContact CD1-CD1 3.66Å; E320-L324 PolarHBondContact O-N 2.9Å; S321-L324 PolarHBondContact O-N 3.38Å; L324-Q327 CarbonylContact O-C 3.24Å; L324-Q327 WeakPolarHBondContact O-CA 3.32Å; L324-Q327 PolarHBondContact O-N 2.9Å; L324-Q327 VanDerWaalsContact O-N 3.09Å; L324-G328 PolarHBondContact O-N 3.45Å; L324-A329 VanDerWaalsContact C-CB 3.5Å; L324-A329 HydrophobicContact CB-CB 3.96Å; L324-A329 WeakPolarHBondContact O-CB 3.39Å; L324-A329 PolarHBondContact O-N 3.09Å; L324-L342 HydrophobicContact CB-CD2 3.82Å; L324-L342 HydrophobicContact CD1-CD2 3.87Å; L324-L342 HydrophobicContact CG-CD2 4.49Å; L324-F349 HydrophobicContact CD1-CD2 4.27Å; L324-F349 HydrophobicContact CD1-CE2 3.75Å; L324-F349 HydrophobicContact CD1-CZ 4.3Å
325	L	95.2	Very high	94.2	Very high	60 Å²	60	48.2 Å²	48.2	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-43.6	173.4	-76.8	169	0	0	0	111.9	S321 C322 E323 Q327 G328 L342	S321-L325 WeakPolarHBondContact O-CG 3.16Å; S321-L325 PolarHBondContact O-N 2.9Å; C322-L325 PolarHBondContact O-N 2.86Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-L325 PolarHBondContact O-N 3.24Å; L325-Q327 PolarHBondContact O-N 3.25Å; L325-G328 PolarHBondContact O-N 3.46Å; L325-G328 VanDerWaalsContact O-N 3.1Å; L325-L342 HydrophobicContact CD2-CD1 3.57Å; L325-L342 HydrophobicContact CG-CD1 3.8Å
326	K	92	Very high	93.3	Very high	106 Å²	106	52 Å²	52	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-32.2	173.1	-67.4	173.9	-169.3	167.1	0	112.2	C322 E323 G328 F386	C322-K326 WeakPolarHBondContact O-CG 3.4Å; C322-K326 PolarHBondContact O-N 2.91Å; C322-K326 VanDerWaalsContact O-N 3.08Å; E323-K326 WeakPolarHBondContact O-CB 3.39Å; E323-K326 PolarHBondContact O-N 3.43Å; E323-K326 IonicContact OE1-NZ 2.7Å; E323-K326 PolarHBondContact OE1-NZ 2.73Å; K326-G328 PolarHBondContact O-N 3.17Å; K326-F386 WeakPolarHBondContact CE-O 3.42Å; K326-F386 PolarHBondContact NZ-O 3.22Å
327	Q	92.4	Very high	92.6	Very high	84 Å²	84	52.9 Å²	52.9	39%	0.393	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	14.3	177.8	-63.1	171.9	30.5	0	0	113.6	E323 L324 L325	E323-Q327 VanDerWaalsContact O-CG 3.29Å; E323-Q327 WeakPolarHBondContact O-CG 3.45Å; E323-Q327 PolarHBondContact O-N 2.78Å; L324-Q327 CarbonylContact O-C 3.24Å; L324-Q327 WeakPolarHBondContact O-CA 3.32Å; L324-Q327 PolarHBondContact O-N 2.9Å; L324-Q327 VanDerWaalsContact O-N 3.09Å; L325-Q327 PolarHBondContact O-N 3.25Å
328	G	93.8	Very high	91.8	Very high	56 Å²	56	53.5 Å²	53.5	58%	0.577	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	12.8	173.5	0	0	0	0	0	115.4	L324 L325 K326	L324-G328 PolarHBondContact O-N 3.45Å; L325-G328 PolarHBondContact O-N 3.46Å; L325-G328 VanDerWaalsContact O-N 3.1Å; K326-G328 PolarHBondContact O-N 3.17Å
329	A	95.8	Very high	91.4	Very high	9 Å²	9	53.5 Å²	53.5	7%	0.074	27%	0.269	C	S	.	.			trans	-61.7	149.7	168.6	0	0	0	0	0	111	L324 L342 V343 R344	L324-A329 VanDerWaalsContact C-CB 3.5Å; L324-A329 HydrophobicContact CB-CB 3.96Å; L324-A329 WeakPolarHBondContact O-CB 3.39Å; L324-A329 PolarHBondContact O-N 3.09Å; A329-L342 HydrophobicContact CB-CD1 3.83Å; A329-L342 HydrophobicContact CB-CD2 4.38Å; A329-L342 HydrophobicContact CB-CG 4.02Å; A329-V343 WeakPolarHBondContact CA-O 3.26Å; A329-R344 HydrophobicContact CB-CB 3.82Å; A329-R344 HydrophobicContact CB-CG 4.34Å
330	K	95.1	Very high	91.3	Very high	142 Å²	142	53.6 Å²	53.6	62%	0.617	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.3	177.1	-63	-177.5	-177.9	178.3	0	109.7	F332 L342 V343	K330-F332 HydrophobicContact CB-CE2 3.51Å; K330-F332 HydrophobicContact CB-CZ 3.61Å; K330-F332 HydrophobicContact CD-CZ 4.1Å; K330-F332 HydrophobicContact CG-CZ 4.49Å; K330-L342 CarbonylContact O-C 3.55Å; K330-L342 WeakPolarHBondContact O-CA 3.4Å; K330-V343 PolarHBondContact N-O 3.06Å; K330-V343 PolarHBondContact O-N 2.95Å
331	S	93.9	Very high	91.3	Very high	56 Å²	56	53.9 Å²	53.9	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.7	175.6	179.5	0	0	0	0	110.9	V340 I341	S331-V340 WeakPolarHBondContact OG-CG1 3.47Å; S331-I341 CarbonylContact C-O 3.4Å; S331-I341 WeakPolarHBondContact CA-O 3.37Å
332	F	92.6	Very high	91.3	Very high	79 Å²	79	53.8 Å²	53.8	35%	0.346	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.1	179.1	-51.5	-88	0	0	0	108.9	F294 K330 V340 I341 V343	F294-F332 HydrophobicContact CD2-CD2 4.43Å; F294-F332 HydrophobicContact CD2-CE2 4.35Å; F294-F332 HydrophobicContact CE2-CD1 4.5Å; F294-F332 HydrophobicContact CE2-CD2 4.31Å; F294-F332 HydrophobicContact CE2-CE1 4.33Å; F294-F332 HydrophobicContact CE2-CE2 4.14Å; F294-F332 HydrophobicContact CE2-CG 4.48Å; F294-F332 HydrophobicContact CE2-CZ 4.15Å; F294-F332 HydrophobicContact CZ-CZ 4.38Å; K330-F332 HydrophobicContact CB-CE2 3.51Å; K330-F332 HydrophobicContact CB-CZ 3.61Å; K330-F332 HydrophobicContact CD-CZ 4.1Å; K330-F332 HydrophobicContact CG-CZ 4.49Å; F332-V340 WeakPolarHBondContact O-CA 3.35Å; F332-I341 HydrophobicContact CB-CB 4.48Å; F332-I341 PolarHBondContact N-O 3.29Å; F332-I341 PolarHBondContact O-N 3.01Å; F332-V343 HydrophobicContact CD2-CG2 4.28Å; F332-V343 HydrophobicContact CE2-CB 4.42Å; F332-V343 HydrophobicContact CE2-CG2 4.17Å
333	R	92.3	Very high	91.3	Very high	99 Å²	99	54.3 Å²	54.3	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	170.7	-163.9	173	-64.4	-78.5	-3.3	108.8	K335 G338 S339 D353	R333-K335 PolarHBondContact O-N 3.2Å; R333-G338 VanDerWaalsContact CD-O 3.23Å; R333-G338 WeakPolarHBondContact CD-O 3.06Å; R333-G338 VanDerWaalsContact CG-C 3.49Å; R333-G338 WeakPolarHBondContact CG-O 3.49Å; R333-G338 PolarHBondContact NH1-O 3.01Å; R333-S339 WeakPolarHBondContact CA-O 3.49Å; R333-D353 IonicContact CZ-OD1 2.7Å; R333-D353 IonicContact CZ-OD2 3.01Å; R333-D353 IonicContact NH1-OD1 2.94Å; R333-D353 PolarHBondContact NH1-OD1 2.02Å; R333-D353 IonicContact NH1-OD2 3.72Å; R333-D353 IonicContact NH2-OD1 2.65Å; R333-D353 IonicContact NH2-OD2 2.91Å; R333-D353 PolarHBondContact NH2-OD2 3.22Å
334	D	88.1	Confident	91.4	Very high	25 Å²	25	56.4 Å²	56.4	13%	0.134	28%	0.28	C	S	.	.			trans	-62.6	130.8	172.1	174.9	45.3	0	0	0	109.8	I239 V296 E336 T337 G338 S339 I341	I239-D334 HydrophobicContact CD1-CB 4.47Å; V296-D334 HydrophobicContact CG2-CB 4.36Å; D334-E336 VanDerWaalsContact C-N 3.28Å; D334-E336 PolarHBondContact O-N 3.46Å; D334-E336 PolarHBondContact OD2-N 2.98Å; D334-T337 VanDerWaalsContact OD2-CB 3.31Å; D334-T337 WeakPolarHBondContact OD2-CB 3.37Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.4Å; D334-T337 PolarHBondContact OD2-N 3Å; D334-T337 PolarHBondContact OD2-OG1 3.43Å; D334-G338 VanDerWaalsContact O-CA 3.27Å; D334-G338 WeakPolarHBondContact O-CA 3.37Å; D334-G338 PolarHBondContact O-N 2.86Å; D334-S339 PolarHBondContact N-O 3.07Å; D334-I341 HydrophobicContact CB-CD1 4.04Å
335	K	82.6	Confident	91.4	Very high	212 Å²	212	63.3 Å²	63.3	92%	0.922	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-25	-174.8	-67.6	-175.9	-179.4	177.4	0	112.4	R333	R333-K335 PolarHBondContact O-N 3.2Å
336	E	78.4	Confident	91.4	Very high	104 Å²	104	62.9 Å²	62.9	49%	0.486	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-45.4	-174.7	-60.6	-175	173.2	0	0	111.7	N247 D334	N247-E336 WeakPolarHBondContact CB-OE2 3.34Å; N247-E336 PolarHBondContact N-OE2 3.26Å; N247-E336 PolarHBondContact ND2-OE1 3.37Å; D334-E336 VanDerWaalsContact C-N 3.28Å; D334-E336 PolarHBondContact O-N 3.46Å; D334-E336 PolarHBondContact OD2-N 2.98Å
337	T	83.3	Confident	91.7	Very high	19 Å²	19	59 Å²	59	12%	0.117	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-15.5	-174.9	66.1	0	0	0	0	113.9	I239 P242 D334 S339	I239-T337 HydrophobicContact CG1-CG2 4.39Å; P242-T337 HydrophobicContact CB-CG2 3.94Å; D334-T337 VanDerWaalsContact OD2-CB 3.31Å; D334-T337 WeakPolarHBondContact OD2-CB 3.37Å; D334-T337 WeakPolarHBondContact OD2-CG2 3.4Å; D334-T337 PolarHBondContact OD2-N 3Å; D334-T337 PolarHBondContact OD2-OG1 3.43Å; T337-S339 PolarHBondContact O-N 3.38Å; T337-S339 WeakPolarHBondContact OG1-CB 3.12Å; T337-S339 PolarHBondContact OG1-N 3.21Å; T337-S339 PolarHBondContact OG1-OG 3.04Å; T337-S339 VanDerWaalsContact OG1-OG 3.05Å
338	G	81	Confident	91.9	Very high	15 Å²	15	55 Å²	55	16%	0.155	27%	0.274	C	S	.	.			trans	72.6	5	-173.1	0	0	0	0	0	114.2	R333 D334	R333-G338 VanDerWaalsContact CD-O 3.23Å; R333-G338 WeakPolarHBondContact CD-O 3.06Å; R333-G338 VanDerWaalsContact CG-C 3.49Å; R333-G338 WeakPolarHBondContact CG-O 3.49Å; R333-G338 PolarHBondContact NH1-O 3.01Å; D334-G338 VanDerWaalsContact O-CA 3.27Å; D334-G338 WeakPolarHBondContact O-CA 3.37Å; D334-G338 PolarHBondContact O-N 2.86Å
339	S	88.2	Confident	92.1	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.021	25%	0.247	C	C	.	.			trans	-80.2	154.7	-176.3	-51.3	0	0	0	0	111.8	I239 R333 D334 T337	I239-S339 VanDerWaalsContact CG2-CB 3.45Å; I239-S339 WeakPolarHBondContact CG2-OG 3.28Å; R333-S339 WeakPolarHBondContact CA-O 3.49Å; D334-S339 PolarHBondContact N-O 3.07Å; T337-S339 PolarHBondContact O-N 3.38Å; T337-S339 WeakPolarHBondContact OG1-CB 3.12Å; T337-S339 PolarHBondContact OG1-N 3.21Å; T337-S339 PolarHBondContact OG1-OG 3.04Å; T337-S339 VanDerWaalsContact OG1-OG 3.05Å
340	V	94.7	Very high	92.2	Very high	2 Å²	2	52 Å²	52	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.9	-177.7	-165.7	0	0	0	0	110.5	S331 F332 S350 Y351 D353	S331-V340 WeakPolarHBondContact OG-CG1 3.47Å; F332-V340 WeakPolarHBondContact O-CA 3.35Å; V340-S350 VanDerWaalsContact O-CA 3.32Å; V340-S350 WeakPolarHBondContact O-CA 3.18Å; V340-Y351 HydrophobicContact CB-CD1 4.04Å; V340-Y351 HydrophobicContact CB-CE1 3.69Å; V340-Y351 WeakPolarHBondContact CB-O 3.42Å; V340-Y351 HydrophobicContact CG1-CD1 4.14Å; V340-Y351 HydrophobicContact CG1-CE1 3.32Å; V340-Y351 PolarHBondContact N-O 3.25Å; V340-Y351 PolarHBondContact O-N 2.83Å; V340-Y351 VanDerWaalsContact O-N 3.15Å; V340-D353 HydrophobicContact CG2-CB 3.99Å; V340-D353 VanDerWaalsContact CG2-CG 3.42Å
341	I	96.1	Very high	92.2	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.9	174.1	-62.7	170.9	0	0	0	107.9	I239 V296 S331 F332 D334 V343 W348 F349	I239-I341 HydrophobicContact CD1-CG1 4.28Å; V296-I341 HydrophobicContact CG2-CD1 3.7Å; S331-I341 CarbonylContact C-O 3.4Å; S331-I341 WeakPolarHBondContact CA-O 3.37Å; F332-I341 HydrophobicContact CB-CB 4.48Å; F332-I341 PolarHBondContact N-O 3.29Å; F332-I341 PolarHBondContact O-N 3.01Å; D334-I341 HydrophobicContact CB-CD1 4.04Å; I341-V343 HydrophobicContact CG2-CG2 3.84Å; I341-W348 HydrophobicContact CB-CZ2 4.38Å; I341-W348 HydrophobicContact CD1-CZ2 3.88Å; I341-W348 HydrophobicContact CG1-CH2 4.38Å; I341-W348 HydrophobicContact CG1-CZ2 3.77Å; I341-W348 HydrophobicContact CG2-CD2 4.28Å; I341-W348 VanDerWaalsContact CG2-CE2 3.49Å; I341-W348 HydrophobicContact CG2-CZ2 3.77Å; I341-W348 VanDerWaalsContact CG2-NE1 3.26Å; I341-F349 CarbonylContact C-O 3.52Å; I341-F349 VanDerWaalsContact CA-O 3.3Å; I341-F349 WeakPolarHBondContact CA-O 3.32Å
342	L	97	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.9	174.2	-169.7	73.8	0	0	0	109.8	I316 L324 L325 A329 K330 W348 F349 Y351	I316-L342 HydrophobicContact CD1-CD2 3.97Å; L324-L342 HydrophobicContact CB-CD2 3.82Å; L324-L342 HydrophobicContact CD1-CD2 3.87Å; L324-L342 HydrophobicContact CG-CD2 4.49Å; L325-L342 HydrophobicContact CD2-CD1 3.57Å; L325-L342 HydrophobicContact CG-CD1 3.8Å; A329-L342 HydrophobicContact CB-CD1 3.83Å; A329-L342 HydrophobicContact CB-CD2 4.38Å; A329-L342 HydrophobicContact CB-CG 4.02Å; K330-L342 CarbonylContact O-C 3.55Å; K330-L342 WeakPolarHBondContact O-CA 3.4Å; L342-W348 CarbonylContact O-C 3.56Å; L342-W348 WeakPolarHBondContact O-CA 3.34Å; L342-F349 HydrophobicContact CB-CB 4.28Å; L342-F349 PolarHBondContact N-O 2.8Å; L342-F349 PolarHBondContact O-N 2.86Å; L342-Y351 HydrophobicContact CB-CD1 4.38Å; L342-Y351 HydrophobicContact CB-CE1 3.96Å
343	V	96.7	Very high	92.4	Very high	13 Å²	13	40.8 Å²	40.8	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.6	-178.6	-168.7	0	0	0	0	110.1	L288 F294 A329 K330 F332 I341 Q347	L288-V343 HydrophobicContact CD1-CG1 4.47Å; F294-V343 HydrophobicContact CB-CG1 4.23Å; F294-V343 HydrophobicContact CB-CG2 3.87Å; F294-V343 HydrophobicContact CD2-CG2 4.36Å; F294-V343 HydrophobicContact CG-CG2 4.31Å; A329-V343 WeakPolarHBondContact CA-O 3.26Å; K330-V343 PolarHBondContact N-O 3.06Å; K330-V343 PolarHBondContact O-N 2.95Å; F332-V343 HydrophobicContact CD2-CG2 4.28Å; F332-V343 HydrophobicContact CE2-CB 4.42Å; F332-V343 HydrophobicContact CE2-CG2 4.17Å; I341-V343 HydrophobicContact CG2-CG2 3.84Å; V343-Q347 CarbonylContact C-O 3.49Å; V343-Q347 VanDerWaalsContact CA-O 3.29Å; V343-Q347 WeakPolarHBondContact CA-O 3.37Å
344	R	94.9	Very high	92.6	Very high	83 Å²	83	37.6 Å²	37.6	31%	0.313	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	114	169.1	-172.3	-179.7	176.1	-159.2	4	108.5	A329 N346 Q347	A329-R344 HydrophobicContact CB-CB 3.82Å; A329-R344 HydrophobicContact CB-CG 4.34Å; R344-N346 PolarHBondContact O-N 3.09Å; R344-N346 VanDerWaalsContact O-N 3.15Å; R344-Q347 PolarHBondContact N-O 3.17Å; R344-Q347 WeakPolarHBondContact O-CA 3.44Å; R344-Q347 VanDerWaalsContact O-CB 3.31Å; R344-Q347 WeakPolarHBondContact O-CB 3.4Å; R344-Q347 PolarHBondContact O-N 2.84Å
345	E	94.5	Very high	92.8	Very high	154 Å²	154	40.6 Å²	40.6	72%	0.72	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	-117.3	-172.8	-57.1	174.6	-176.3	0	0	110.7
346	N	96.3	Very high	93.3	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.273	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	175.9	70.3	-11.4	0	0	0	113.5	T287 L288 P291 R344	T287-N346 CarbonylContact C-O 3.52Å; T287-N346 WeakPolarHBondContact CA-O 3.27Å; T287-N346 HydrophobicContact CG2-CB 4.46Å; T287-N346 WeakPolarHBondContact CG2-ND2 3.34Å; L288-N346 PolarHBondContact N-O 3.5Å; P291-N346 HydrophobicContact CB-CB 4.45Å; P291-N346 HydrophobicContact CG-CB 3.85Å; R344-N346 PolarHBondContact O-N 3.09Å; R344-N346 VanDerWaalsContact O-N 3.15Å
347	Q	97.4	Very high	94.1	Very high	23 Å²	23	25.8 Å²	25.8	11%	0.107	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124	178.7	-55.4	-59.5	-61.3	0	0	109.6	T287 S304 V343 R344 F349	T287-Q347 PolarHBondContact OG1-NE2 2.9Å; T287-Q347 VanDerWaalsContact OG1-NE2 3.09Å; S304-Q347 VanDerWaalsContact CB-OE1 3.29Å; V343-Q347 CarbonylContact C-O 3.49Å; V343-Q347 VanDerWaalsContact CA-O 3.29Å; V343-Q347 WeakPolarHBondContact CA-O 3.37Å; R344-Q347 PolarHBondContact N-O 3.17Å; R344-Q347 WeakPolarHBondContact O-CA 3.44Å; R344-Q347 VanDerWaalsContact O-CB 3.31Å; R344-Q347 WeakPolarHBondContact O-CB 3.4Å; R344-Q347 PolarHBondContact O-N 2.84Å; Q347-F349 HydrophobicContact CB-CE2 3.94Å
348	W	97.6	Very high	94.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.5	-175.8	-173.3	104.5	0	0	0	109.7	T237 G238 I239 G285 W286 L288 F294 V296 I341 L342	T237-W348 HydrophobicContact CG2-CB 4.33Å; T237-W348 HydrophobicContact CG2-CD2 3.59Å; T237-W348 HydrophobicContact CG2-CE3 3.8Å; T237-W348 HydrophobicContact CG2-CG 3.85Å; T237-W348 HydrophobicContact CG2-CZ2 4.47Å; T237-W348 HydrophobicContact CG2-CZ3 4.33Å; G238-W348 VanDerWaalsContact O-CH2 3.31Å; G238-W348 WeakPolarHBondContact O-CH2 3.18Å; G238-W348 VanDerWaalsContact O-CZ3 3.32Å; G238-W348 WeakPolarHBondContact O-CZ3 3.37Å; I239-W348 HydrophobicContact CD1-CH2 4.28Å; G285-W348 CarbonylContact C-O 3.46Å; G285-W348 WeakPolarHBondContact CA-O 3.45Å; W286-W348 HydrophobicContact CD2-CE3 4.42Å; W286-W348 AromaticContact CE3-CE3 3.49Å; W286-W348 HydrophobicContact CE3-CE3 3.49Å; W286-W348 VanDerWaalsContact CE3-CE3 3.49Å; W286-W348 AromaticContact CE3-CZ3 3.54Å; W286-W348 HydrophobicContact CE3-CZ3 3.54Å; W286-W348 HydrophobicContact CH2-CZ3 4.38Å; W286-W348 AromaticContact CZ3-CE3 3.9Å; W286-W348 HydrophobicContact CZ3-CE3 3.9Å; W286-W348 AromaticContact CZ3-CZ3 3.44Å; W286-W348 HydrophobicContact CZ3-CZ3 3.44Å; W286-W348 VanDerWaalsContact CZ3-CZ3 3.44Å; W286-W348 PolarHBondContact N-O 3.37Å; W286-W348 PolarHBondContact O-N 3.21Å; L288-W348 HydrophobicContact CD1-CB 4.07Å; L288-W348 HydrophobicContact CD1-CG 4.47Å; L288-W348 HydrophobicContact CD2-CB 4.01Å; L288-W348 HydrophobicContact CD2-CG 4.2Å; L288-W348 HydrophobicContact CG-CB 3.83Å; L288-W348 HydrophobicContact CG-CG 4.44Å; F294-W348 PolarHBondContact O-NE1 3.16Å; V296-W348 HydrophobicContact CG2-CZ2 4.42Å; I341-W348 HydrophobicContact CB-CZ2 4.38Å; I341-W348 HydrophobicContact CD1-CZ2 3.88Å; I341-W348 HydrophobicContact CG1-CH2 4.38Å; I341-W348 HydrophobicContact CG1-CZ2 3.77Å; I341-W348 HydrophobicContact CG2-CD2 4.28Å; I341-W348 VanDerWaalsContact CG2-CE2 3.49Å; I341-W348 HydrophobicContact CG2-CZ2 3.77Å; I341-W348 VanDerWaalsContact CG2-NE1 3.26Å; L342-W348 CarbonylContact O-C 3.56Å; L342-W348 WeakPolarHBondContact O-CA 3.34Å
349	F	98	Very high	95.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.2	178.8	-57.8	-94.5	0	0	0	111.6	R284 S304 L307 I316 L324 I341 L342 Q347	R284-F349 CarbonylContact O-C 3.44Å; R284-F349 VanDerWaalsContact O-CA 3.29Å; R284-F349 WeakPolarHBondContact O-CA 3.46Å; S304-F349 VanDerWaalsContact CB-CZ 3.49Å; S304-F349 WeakPolarHBondContact OG-CE1 3.33Å; S304-F349 WeakPolarHBondContact OG-CZ 3.08Å; L307-F349 HydrophobicContact CD1-CZ 4.33Å; I316-F349 HydrophobicContact CB-CD1 3.56Å; I316-F349 HydrophobicContact CB-CE1 3.75Å; I316-F349 HydrophobicContact CB-CG 4.28Å; I316-F349 HydrophobicContact CD1-CD1 4.07Å; I316-F349 HydrophobicContact CD1-CD2 4.19Å; I316-F349 HydrophobicContact CD1-CE1 4.25Å; I316-F349 HydrophobicContact CD1-CE2 4.4Å; I316-F349 HydrophobicContact CD1-CG 4.03Å; I316-F349 HydrophobicContact CD1-CZ 4.42Å; I316-F349 HydrophobicContact CG1-CD1 4.42Å; I316-F349 HydrophobicContact CG2-CB 3.94Å; I316-F349 HydrophobicContact CG2-CD1 3.43Å; I316-F349 VanDerWaalsContact CG2-CD1 3.43Å; I316-F349 HydrophobicContact CG2-CE1 4.17Å; I316-F349 HydrophobicContact CG2-CG 3.94Å; L324-F349 HydrophobicContact CD1-CD2 4.27Å; L324-F349 HydrophobicContact CD1-CE2 3.75Å; L324-F349 HydrophobicContact CD1-CZ 4.3Å; I341-F349 CarbonylContact C-O 3.52Å; I341-F349 VanDerWaalsContact CA-O 3.3Å; I341-F349 WeakPolarHBondContact CA-O 3.32Å; L342-F349 HydrophobicContact CB-CB 4.28Å; L342-F349 PolarHBondContact N-O 2.8Å; L342-F349 PolarHBondContact O-N 2.86Å; Q347-F349 HydrophobicContact CB-CE2 3.94Å
350	S	96.9	Very high	95.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.4	164.7	174.8	0	0	0	0	110.1	I239 N240 G283 R284 V340	I239-S350 WeakPolarHBondContact CA-OG 3.4Å; N240-S350 PolarHBondContact N-OG 2.84Å; G283-S350 CarbonylContact C-O 3.49Å; G283-S350 WeakPolarHBondContact CA-O 3.09Å; R284-S350 PolarHBondContact N-O 3.3Å; R284-S350 PolarHBondContact O-N 3.06Å; V340-S350 VanDerWaalsContact O-CA 3.32Å; V340-S350 WeakPolarHBondContact O-CA 3.18Å
351	Y	96.4	Very high	95.8	Very high	12 Å²	12	28.6 Å²	28.6	5%	0.047	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	172.8	-178.4	75.5	-72.5	0	0	0	110.9	F318 S321 V340 L342 D353	F318-Y351 AromaticContact CD2-CD2 3.97Å; F318-Y351 HydrophobicContact CD2-CD2 3.97Å; F318-Y351 AromaticContact CD2-CE2 3.95Å; F318-Y351 HydrophobicContact CD2-CE2 3.95Å; F318-Y351 HydrophobicContact CE2-CD2 4.41Å; F318-Y351 AromaticContact CE2-CE2 3.99Å; F318-Y351 HydrophobicContact CE2-CE2 3.99Å; S321-Y351 WeakPolarHBondContact OG-CE2 3.43Å; V340-Y351 HydrophobicContact CB-CD1 4.04Å; V340-Y351 HydrophobicContact CB-CE1 3.69Å; V340-Y351 WeakPolarHBondContact CB-O 3.42Å; V340-Y351 HydrophobicContact CG1-CD1 4.14Å; V340-Y351 HydrophobicContact CG1-CE1 3.32Å; V340-Y351 PolarHBondContact N-O 3.25Å; V340-Y351 PolarHBondContact O-N 2.83Å; V340-Y351 VanDerWaalsContact O-N 3.15Å; L342-Y351 HydrophobicContact CB-CD1 4.38Å; L342-Y351 HydrophobicContact CB-CE1 3.96Å; Y351-D353 HydrophobicContact CE2-CB 4.42Å
352	D	95.8	Very high	95.7	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.027	15%	0.149	C	C	.	.			trans	-104.3	139	174.6	-79.1	-25.1	0	0	0	111.7	P280 F318 S356 F357 K360	P280-D352 WeakPolarHBondContact CD-OD2 2.92Å; F318-D352 WeakPolarHBondContact CD2-O 3.36Å; D352-S356 VanDerWaalsContact CA-OG 3.24Å; D352-S356 WeakPolarHBondContact CA-OG 3.33Å; D352-S356 VanDerWaalsContact CB-OG 3.28Å; D352-S356 WeakPolarHBondContact CB-OG 3.42Å; D352-S356 PolarHBondContact OD1-OG 3.09Å; D352-F357 HydrophobicContact CB-CD2 3.66Å; D352-F357 HydrophobicContact CB-CE2 3.47Å; D352-F357 VanDerWaalsContact CB-CE2 3.47Å; D352-K360 IonicContact OD1-NZ 3.32Å; D352-K360 PolarHBondContact OD1-NZ 3.5Å; D352-K360 IonicContact OD2-NZ 2.73Å; D352-K360 PolarHBondContact OD2-NZ 3.23Å
353	D	95	Very high	95.6	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.128	15%	0.153	C	C	.	.			trans	-111.2	180	168.7	69.9	-8.9	0	0	0	112.3	F318 R333 V340 Y351 E355 S356 F357 L397	F318-D353 HydrophobicContact CE2-CB 4.3Å; R333-D353 IonicContact CZ-OD1 2.7Å; R333-D353 IonicContact CZ-OD2 3.01Å; R333-D353 IonicContact NH1-OD1 2.94Å; R333-D353 PolarHBondContact NH1-OD1 2.02Å; R333-D353 IonicContact NH1-OD2 3.72Å; R333-D353 IonicContact NH2-OD1 2.65Å; R333-D353 IonicContact NH2-OD2 2.91Å; R333-D353 PolarHBondContact NH2-OD2 3.22Å; V340-D353 HydrophobicContact CG2-CB 3.99Å; V340-D353 VanDerWaalsContact CG2-CG 3.42Å; Y351-D353 HydrophobicContact CE2-CB 4.42Å; D353-E355 PolarHBondContact O-N 3.29Å; D353-E355 VanDerWaalsContact O-N 3.14Å; D353-E355 WeakPolarHBondContact OD1-CB 3.19Å; D353-E355 PolarHBondContact OD1-N 2.8Å; D353-S356 PolarHBondContact N-OG 3.11Å; D353-S356 PolarHBondContact O-N 3.05Å; D353-S356 PolarHBondContact O-OG 3.16Å; D353-S356 PolarHBondContact OD1-N 2.83Å; D353-S356 PolarHBondContact OD1-OG 2.88Å; D353-F357 PolarHBondContact O-N 2.98Å; D353-L397 VanDerWaalsContact C-CD2 3.4Å
354	T	94.8	Very high	95.6	Very high	32 Å²	32	32.1 Å²	32.1	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-28.8	178.9	47.4	0	0	0	0	113.4	T358 Y390 P396 L397 T400	T354-T358 WeakPolarHBondContact O-CB 3.17Å; T354-T358 PolarHBondContact O-N 2.86Å; T354-T358 PolarHBondContact O-OG1 2.86Å; T354-Y390 HydrophobicContact CG2-CE1 3.61Å; T354-Y390 VanDerWaalsContact CG2-OH 3.29Å; T354-Y390 WeakPolarHBondContact CG2-OH 3.42Å; T354-Y390 PolarHBondContact OG1-OH 2.97Å; T354-P396 HydrophobicContact CG2-CB 4.34Å; T354-L397 HydrophobicContact CG2-CD2 3.86Å; T354-T400 WeakPolarHBondContact CG2-OG1 2.99Å
355	E	93.8	Very high	95.4	Very high	87 Å²	87	31.7 Å²	31.7	41%	0.407	15%	0.149	S	C	.	.	H	α-helix	trans	-72.2	-50.3	177.4	179.2	57.7	-147.7	0	0	111.1	D353 F357 T358 Q359	D353-E355 PolarHBondContact O-N 3.29Å; D353-E355 VanDerWaalsContact O-N 3.14Å; D353-E355 WeakPolarHBondContact OD1-CB 3.19Å; D353-E355 PolarHBondContact OD1-N 2.8Å; E355-F357 VanDerWaalsContact C-N 3.33Å; E355-F357 PolarHBondContact O-N 2.76Å; E355-T358 WeakPolarHBondContact O-CB 3.45Å; E355-T358 PolarHBondContact O-N 2.79Å; E355-T358 VanDerWaalsContact O-N 3.15Å; E355-Q359 WeakPolarHBondContact O-CG 3.31Å; E355-Q359 PolarHBondContact O-N 2.88Å; E355-Q359 PolarHBondContact OE1-NE2 2.98Å
356	S	93.2	Very high	95.3	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-38.5	175.5	63.6	0	0	0	0	112.4	D352 D353 Q359 K360	D352-S356 VanDerWaalsContact CA-OG 3.24Å; D352-S356 WeakPolarHBondContact CA-OG 3.33Å; D352-S356 VanDerWaalsContact CB-OG 3.28Å; D352-S356 WeakPolarHBondContact CB-OG 3.42Å; D352-S356 PolarHBondContact OD1-OG 3.09Å; D353-S356 PolarHBondContact N-OG 3.11Å; D353-S356 PolarHBondContact O-N 3.05Å; D353-S356 PolarHBondContact O-OG 3.16Å; D353-S356 PolarHBondContact OD1-N 2.83Å; D353-S356 PolarHBondContact OD1-OG 2.88Å; S356-Q359 PolarHBondContact O-N 3.25Å; S356-K360 WeakPolarHBondContact O-CG 3.14Å; S356-K360 PolarHBondContact O-N 2.91Å
357	F	95.2	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-48.6	171.3	-95.7	-129	0	0	0	110.9	L279 P280 T281 D352 D353 E355 Q359 K360 L361 V374 L397 T400	L279-F357 HydrophobicContact CB-CE1 3.95Å; L279-F357 HydrophobicContact CB-CE2 4.09Å; L279-F357 HydrophobicContact CB-CZ 3.62Å; L279-F357 HydrophobicContact CD1-CD1 4.05Å; L279-F357 HydrophobicContact CD1-CE1 4Å; L279-F357 HydrophobicContact CD1-CG 4.48Å; L279-F357 HydrophobicContact CD1-CZ 4.41Å; P280-F357 WeakPolarHBondContact O-CE2 3.33Å; T281-F357 HydrophobicContact CG2-CE1 4.47Å; T281-F357 HydrophobicContact CG2-CZ 4.06Å; D352-F357 HydrophobicContact CB-CD2 3.66Å; D352-F357 HydrophobicContact CB-CE2 3.47Å; D352-F357 VanDerWaalsContact CB-CE2 3.47Å; D353-F357 PolarHBondContact O-N 2.98Å; E355-F357 VanDerWaalsContact C-N 3.33Å; E355-F357 PolarHBondContact O-N 2.76Å; F357-Q359 VanDerWaalsContact C-N 3.31Å; F357-Q359 PolarHBondContact O-N 3.18Å; F357-K360 PolarHBondContact O-N 2.84Å; F357-L361 HydrophobicContact CB-CD1 4.21Å; F357-L361 HydrophobicContact CD1-CD1 4.45Å; F357-L361 VanDerWaalsContact O-CB 3.32Å; F357-L361 WeakPolarHBondContact O-CB 3.48Å; F357-L361 VanDerWaalsContact O-CD1 3.29Å; F357-L361 WeakPolarHBondContact O-CD1 3.38Å; F357-L361 WeakPolarHBondContact O-CG 3.31Å; F357-L361 PolarHBondContact O-N 3.32Å; F357-V374 HydrophobicContact CE1-CG1 4.04Å; F357-V374 HydrophobicContact CZ-CG1 4.47Å; F357-L397 HydrophobicContact CD1-CB 3.91Å; F357-L397 HydrophobicContact CD1-CD2 4.49Å; F357-L397 WeakPolarHBondContact CD1-O 3.36Å; F357-L397 HydrophobicContact CD2-CD2 4.25Å; F357-L397 HydrophobicContact CE1-CB 3.64Å; F357-L397 HydrophobicContact CE2-CD1 4.07Å; F357-L397 HydrophobicContact CG-CB 4.47Å; F357-L397 HydrophobicContact CG-CD2 4.24Å; F357-L397 HydrophobicContact CZ-CB 3.98Å; F357-L397 HydrophobicContact CZ-CD1 4.01Å; F357-L397 HydrophobicContact CZ-CG 4.48Å; F357-T400 HydrophobicContact CB-CG2 4.09Å
358	T	95.3	Very high	94.8	Very high	21 Å²	21	36 Å²	36	13%	0.129	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-45.8	179.7	-65.3	0	0	0	0	111.6	T354 E355 L361 R362 T400 I404	T354-T358 WeakPolarHBondContact O-CB 3.17Å; T354-T358 PolarHBondContact O-N 2.86Å; T354-T358 PolarHBondContact O-OG1 2.86Å; E355-T358 WeakPolarHBondContact O-CB 3.45Å; E355-T358 PolarHBondContact O-N 2.79Å; E355-T358 VanDerWaalsContact O-N 3.15Å; T358-L361 PolarHBondContact O-N 3.04Å; T358-R362 VanDerWaalsContact CG2-CZ 3.44Å; T358-R362 WeakPolarHBondContact O-CB 3.44Å; T358-R362 WeakPolarHBondContact O-CG 3.28Å; T358-R362 PolarHBondContact O-N 3.35Å; T358-T400 WeakPolarHBondContact OG1-CG2 3.27Å; T358-I404 HydrophobicContact CG2-CD1 3.9Å
359	Q	92.7	Very high	94.8	Very high	74 Å²	74	36.1 Å²	36.1	35%	0.346	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-47.1	178.4	-66.9	174.7	27	0	0	111.9	E355 S356 F357 W363	E355-Q359 WeakPolarHBondContact O-CG 3.31Å; E355-Q359 PolarHBondContact O-N 2.88Å; E355-Q359 PolarHBondContact OE1-NE2 2.98Å; S356-Q359 PolarHBondContact O-N 3.25Å; F357-Q359 VanDerWaalsContact C-N 3.31Å; F357-Q359 PolarHBondContact O-N 3.18Å; Q359-W363 WeakPolarHBondContact O-CB 3.19Å; Q359-W363 PolarHBondContact O-N 2.98Å
360	K	96.6	Very high	94.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-44.8	177.7	-68.7	176.5	-174.7	-178.5	0	112	S241 L243 L279 D352 S356 F357 W363 I364	S241-K360 VanDerWaalsContact O-CE 3.22Å; S241-K360 WeakPolarHBondContact O-CE 3.32Å; S241-K360 PolarHBondContact O-NZ 3.38Å; S241-K360 PolarHBondContact OG-NZ 3.49Å; L243-K360 HydrophobicContact CB-CG 4.1Å; L243-K360 HydrophobicContact CD1-CG 4.18Å; L243-K360 HydrophobicContact CD2-CG 4.42Å; L243-K360 HydrophobicContact CG-CG 4.45Å; L279-K360 HydrophobicContact CD2-CB 3.94Å; L279-K360 HydrophobicContact CD2-CD 3.51Å; L279-K360 HydrophobicContact CD2-CG 4.34Å; D352-K360 IonicContact OD1-NZ 3.32Å; D352-K360 PolarHBondContact OD1-NZ 3.5Å; D352-K360 IonicContact OD2-NZ 2.73Å; D352-K360 PolarHBondContact OD2-NZ 3.23Å; S356-K360 WeakPolarHBondContact O-CG 3.14Å; S356-K360 PolarHBondContact O-N 2.91Å; F357-K360 PolarHBondContact O-N 2.84Å; K360-W363 PolarHBondContact O-N 3.48Å; K360-I364 WeakPolarHBondContact O-CB 3.48Å; K360-I364 WeakPolarHBondContact O-CD1 3.15Å; K360-I364 WeakPolarHBondContact O-CG1 3.28Å; K360-I364 PolarHBondContact O-N 2.95Å
361	L	96.8	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-38.9	-178.2	-68.9	161	0	0	0	112.3	L279 F357 T358 I364 K365 A372 T400 M401 I404 L405	L279-L361 HydrophobicContact CD1-CD2 3.77Å; L279-L361 HydrophobicContact CD1-CG 4.03Å; F357-L361 HydrophobicContact CB-CD1 4.21Å; F357-L361 HydrophobicContact CD1-CD1 4.45Å; F357-L361 VanDerWaalsContact O-CB 3.32Å; F357-L361 WeakPolarHBondContact O-CB 3.48Å; F357-L361 VanDerWaalsContact O-CD1 3.29Å; F357-L361 WeakPolarHBondContact O-CD1 3.38Å; F357-L361 WeakPolarHBondContact O-CG 3.31Å; F357-L361 PolarHBondContact O-N 3.32Å; T358-L361 PolarHBondContact O-N 3.04Å; L361-I364 HydrophobicContact CD2-CD1 4.48Å; L361-I364 PolarHBondContact O-N 2.91Å; L361-K365 WeakPolarHBondContact O-CG 3.33Å; L361-K365 PolarHBondContact O-N 3.04Å; L361-K365 VanDerWaalsContact O-N 3.15Å; L361-A372 HydrophobicContact CD2-CB 3.74Å; L361-T400 HydrophobicContact CD1-CG2 4.01Å; L361-M401 VanDerWaalsContact CD1-CA 3.44Å; L361-M401 HydrophobicContact CD1-CB 4.05Å; L361-M401 HydrophobicContact CD2-CB 4.07Å; L361-M401 HydrophobicContact CD2-CG 3.8Å; L361-I404 HydrophobicContact CB-CB 4.19Å; L361-I404 HydrophobicContact CB-CD1 4Å; L361-I404 HydrophobicContact CB-CG2 3.77Å; L361-I404 HydrophobicContact CD1-CB 4.46Å; L361-I404 HydrophobicContact CD1-CD1 3.94Å; L361-L405 HydrophobicContact CD2-CD1 3.79Å; L361-L405 HydrophobicContact CD2-CD2 4.42Å; L361-L405 HydrophobicContact CD2-CG 3.96Å
362	R	94.8	Very high	94.8	Very high	75 Å²	75	36 Å²	36	28%	0.283	17%	0.172	S	C	.	.	H	α-helix	trans	-63.2	-46.9	171.7	-72.8	-178	-175.2	155.5	7.5	111.1	T358 I364 K365 E366 E416	T358-R362 VanDerWaalsContact CG2-CZ 3.44Å; T358-R362 WeakPolarHBondContact O-CB 3.44Å; T358-R362 WeakPolarHBondContact O-CG 3.28Å; T358-R362 PolarHBondContact O-N 3.35Å; R362-I364 VanDerWaalsContact C-N 3.3Å; R362-I364 PolarHBondContact O-N 3.17Å; R362-K365 PolarHBondContact O-N 2.86Å; R362-K365 VanDerWaalsContact O-N 3.14Å; R362-E366 WeakPolarHBondContact O-CB 3.04Å; R362-E366 VanDerWaalsContact O-CG 3.32Å; R362-E366 WeakPolarHBondContact O-CG 3.1Å; R362-E366 PolarHBondContact O-N 2.95Å; R362-E416 WeakPolarHBondContact CD-OE1 3.39Å; R362-E416 IonicContact CZ-OE1 3.35Å; R362-E416 IonicContact NE-OE1 3.73Å; R362-E416 PolarHBondContact NE-OE1 3Å; R362-E416 IonicContact NH1-OE1 3.5Å; R362-E416 PolarHBondContact NH1-OE1 2.91Å
363	W	94.4	Very high	95	Very high	21 Å²	21	35.7 Å²	35.7	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-40	176.4	-178.1	88.1	0	0	0	112.6	L243 F244 T258 S259 V262 Q359 K360 E366 N367 F369	L243-W363 HydrophobicContact CD1-CB 4.26Å; L243-W363 HydrophobicContact CD1-CD2 3.72Å; L243-W363 HydrophobicContact CD1-CE3 3.74Å; L243-W363 HydrophobicContact CD1-CG 3.95Å; L243-W363 HydrophobicContact CD1-CZ3 4.34Å; L243-W363 HydrophobicContact CD2-CB 4.02Å; L243-W363 HydrophobicContact CD2-CG 4.16Å; F244-W363 AromaticContact CE1-NE1 3.77Å; F244-W363 AromaticContact CZ-CD1 3.66Å; F244-W363 AromaticContact CZ-NE1 3.51Å; T258-W363 HydrophobicContact CG2-CZ3 4.47Å; S259-W363 WeakPolarHBondContact OG-CZ2 3.22Å; V262-W363 HydrophobicContact CG2-CH2 3.55Å; V262-W363 HydrophobicContact CG2-CZ3 3.96Å; Q359-W363 WeakPolarHBondContact O-CB 3.19Å; Q359-W363 PolarHBondContact O-N 2.98Å; K360-W363 PolarHBondContact O-N 3.48Å; W363-E366 PolarHBondContact O-N 3.31Å; W363-N367 PolarHBondContact NE1-ND2 2.91Å; W363-N367 VanDerWaalsContact NE1-ND2 3.13Å; W363-N367 WeakPolarHBondContact O-CB 3.41Å; W363-N367 PolarHBondContact O-N 3.2Å; W363-N367 PolarHBondContact O-ND2 2.85Å; W363-F369 HydrophobicContact CE3-CD2 4.39Å; W363-F369 HydrophobicContact CE3-CE2 4.22Å; W363-F369 HydrophobicContact CH2-CD2 4.2Å; W363-F369 AromaticContact CH2-CE2 3.3Å; W363-F369 HydrophobicContact CH2-CE2 3.3Å; W363-F369 AromaticContact CH2-CZ 3.91Å; W363-F369 HydrophobicContact CH2-CZ 3.91Å; W363-F369 HydrophobicContact CZ2-CE2 4.08Å; W363-F369 AromaticContact CZ3-CD2 3.81Å; W363-F369 HydrophobicContact CZ3-CD2 3.81Å; W363-F369 AromaticContact CZ3-CE2 3.38Å; W363-F369 HydrophobicContact CZ3-CE2 3.38Å; W363-F369 HydrophobicContact CZ3-CZ 4.27Å
364	I	96.3	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-47.8	174.9	-74.2	163.8	0	0	0	111	V277 K360 L361 R362 H368 F369 G371 A372	V277-I364 HydrophobicContact CB-CD1 3.6Å; V277-I364 HydrophobicContact CB-CG1 3.98Å; V277-I364 HydrophobicContact CG1-CD1 3.92Å; V277-I364 HydrophobicContact CG1-CG1 4.31Å; V277-I364 HydrophobicContact CG2-CD1 4.03Å; V277-I364 HydrophobicContact CG2-CG1 3.83Å; K360-I364 WeakPolarHBondContact O-CB 3.48Å; K360-I364 WeakPolarHBondContact O-CD1 3.15Å; K360-I364 WeakPolarHBondContact O-CG1 3.28Å; K360-I364 PolarHBondContact O-N 2.95Å; L361-I364 HydrophobicContact CD2-CD1 4.48Å; L361-I364 PolarHBondContact O-N 2.91Å; R362-I364 VanDerWaalsContact C-N 3.3Å; R362-I364 PolarHBondContact O-N 3.17Å; I364-H368 PolarHBondContact O-N 3.13Å; I364-F369 HydrophobicContact CG2-CB 4.06Å; I364-F369 PolarHBondContact O-N 2.98Å; I364-F369 VanDerWaalsContact O-N 3.11Å; I364-G371 WeakPolarHBondContact CG2-O 3.32Å; I364-A372 HydrophobicContact CD1-CB 3.92Å
365	K	91.7	Very high	95.3	Very high	74 Å²	74	35.4 Å²	35.4	32%	0.322	17%	0.165	S	C	.	.	H	α-helix	trans	-64.4	-48.2	177.3	-67.6	-177.5	75.4	167.9	0	111.8	F44 L361 R362 N367 H368 I404 L405	F44-K365 HydrophobicContact CE1-CG 4.11Å; F44-K365 HydrophobicContact CE2-CD 4.42Å; F44-K365 HydrophobicContact CE2-CG 4.06Å; F44-K365 HydrophobicContact CZ-CB 4.11Å; F44-K365 HydrophobicContact CZ-CG 3.71Å; L361-K365 WeakPolarHBondContact O-CG 3.33Å; L361-K365 PolarHBondContact O-N 3.04Å; L361-K365 VanDerWaalsContact O-N 3.15Å; R362-K365 PolarHBondContact O-N 2.86Å; R362-K365 VanDerWaalsContact O-N 3.14Å; K365-N367 VanDerWaalsContact C-N 3.26Å; K365-N367 PolarHBondContact O-N 2.84Å; K365-H368 PolarHBondContact O-N 2.9Å; K365-H368 VanDerWaalsContact O-N 3.16Å; K365-I404 HydrophobicContact CD-CG2 3.81Å; K365-I404 WeakPolarHBondContact CD-O 3.48Å; K365-I404 PolarHBondContact NZ-O 2.94Å; K365-L405 HydrophobicContact CD-CD2 3.99Å; K365-L405 HydrophobicContact CG-CD2 3.6Å
366	E	91.8	Very high	95.4	Very high	123 Å²	123	31.5 Å²	31.5	58%	0.575	15%	0.147	S	C	*	.	H	α-helix	trans	-63.3	-30.9	-178.2	-72.2	173.2	178.1	0	0	112.9	R362 W363	R362-E366 WeakPolarHBondContact O-CB 3.04Å; R362-E366 VanDerWaalsContact O-CG 3.32Å; R362-E366 WeakPolarHBondContact O-CG 3.1Å; R362-E366 PolarHBondContact O-N 2.95Å; W363-E366 PolarHBondContact O-N 3.31Å
367	N	91.5	Very high	95.7	Very high	49 Å²	49	31.2 Å²	31.2	26%	0.262	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	11	179	-70.5	-95.8	0	0	0	113.4	R272 W363 K365 F369	R272-N367 PolarHBondContact NH1-O 2.04Å; W363-N367 PolarHBondContact NE1-ND2 2.91Å; W363-N367 VanDerWaalsContact NE1-ND2 3.13Å; W363-N367 WeakPolarHBondContact O-CB 3.41Å; W363-N367 PolarHBondContact O-N 3.2Å; W363-N367 PolarHBondContact O-ND2 2.85Å; K365-N367 VanDerWaalsContact C-N 3.26Å; K365-N367 PolarHBondContact O-N 2.84Å; N367-F369 VanDerWaalsContact C-N 3.31Å; N367-F369 HydrophobicContact CB-CD2 3.73Å; N367-F369 HydrophobicContact CB-CE2 3.45Å; N367-F369 VanDerWaalsContact CB-CE2 3.45Å; N367-F369 HydrophobicContact CB-CZ 4.47Å; N367-F369 PolarHBondContact O-N 3.4Å
368	H	93.3	Very high	95.7	Very high	146 Å²	146	31.2 Å²	31.2	68%	0.676	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	37.1	173.5	-53.1	-63.2	0	0	0	114.6	R272 I364 K365	R272-H368 WeakPolarHBondContact CB-O 3.42Å; I364-H368 PolarHBondContact O-N 3.13Å; K365-H368 PolarHBondContact O-N 2.9Å; K365-H368 VanDerWaalsContact O-N 3.16Å
369	F	96.4	Very high	95.9	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.013	14%	0.141	C	C	.	.			trans	-76.4	155.2	170.3	-67.8	-70.6	0	0	0	110.9	F44 V262 V266 R272 I275 V277 W363 I364 N367 G371	F44-F369 WeakPolarHBondContact CE1-O 3.35Å; V262-F369 HydrophobicContact CB-CE1 3.9Å; V262-F369 HydrophobicContact CB-CZ 3.99Å; V262-F369 HydrophobicContact CG2-CE1 3.76Å; V262-F369 HydrophobicContact CG2-CE2 3.87Å; V262-F369 HydrophobicContact CG2-CZ 3.31Å; V266-F369 HydrophobicContact CG2-CE1 4.11Å; R272-F369 HydrophobicContact CB-CD1 4.26Å; R272-F369 HydrophobicContact CG-CD1 4.43Å; R272-F369 HydrophobicContact CG-CE1 4.18Å; R272-F369 WeakPolarHBondContact O-CA 3.37Å; I275-F369 HydrophobicContact CB-CD1 3.93Å; I275-F369 HydrophobicContact CB-CE1 4.49Å; I275-F369 HydrophobicContact CD1-CD1 4.43Å; I275-F369 HydrophobicContact CD1-CE1 4.22Å; I275-F369 HydrophobicContact CG2-CD1 3.91Å; I275-F369 HydrophobicContact CG2-CE1 4.31Å; V277-F369 HydrophobicContact CG2-CB 4.25Å; V277-F369 HydrophobicContact CG2-CG 4.29Å; W363-F369 HydrophobicContact CE3-CD2 4.39Å; W363-F369 HydrophobicContact CE3-CE2 4.22Å; W363-F369 HydrophobicContact CH2-CD2 4.2Å; W363-F369 AromaticContact CH2-CE2 3.3Å; W363-F369 HydrophobicContact CH2-CE2 3.3Å; W363-F369 AromaticContact CH2-CZ 3.91Å; W363-F369 HydrophobicContact CH2-CZ 3.91Å; W363-F369 HydrophobicContact CZ2-CE2 4.08Å; W363-F369 AromaticContact CZ3-CD2 3.81Å; W363-F369 HydrophobicContact CZ3-CD2 3.81Å; W363-F369 AromaticContact CZ3-CE2 3.38Å; W363-F369 HydrophobicContact CZ3-CE2 3.38Å; W363-F369 HydrophobicContact CZ3-CZ 4.27Å; I364-F369 HydrophobicContact CG2-CB 4.06Å; I364-F369 PolarHBondContact O-N 2.98Å; I364-F369 VanDerWaalsContact O-N 3.11Å; N367-F369 VanDerWaalsContact C-N 3.31Å; N367-F369 HydrophobicContact CB-CD2 3.73Å; N367-F369 HydrophobicContact CB-CE2 3.45Å; N367-F369 VanDerWaalsContact CB-CE2 3.45Å; N367-F369 HydrophobicContact CB-CZ 4.47Å; N367-F369 PolarHBondContact O-N 3.4Å; F369-G371 PolarHBondContact O-N 3.11Å; F369-G371 VanDerWaalsContact O-N 3.12Å
370	G	96	Very high	96.1	Very high	12 Å²	12	27 Å²	27	12%	0.124	12%	0.124	C	C	.	.	S	Bend	trans	-66.2	-13.6	-173.2	0	0	0	0	0	115.5	F44 V45 R272 E273 I275	F44-G370 WeakPolarHBondContact CA-O 3.31Å; V45-G370 PolarHBondContact N-O 2.86Å; R272-G370 PolarHBondContact O-N 3.3Å; R272-G370 VanDerWaalsContact O-N 3.1Å; E273-G370 VanDerWaalsContact O-CA 3.25Å; E273-G370 WeakPolarHBondContact O-CA 3.39Å; I275-G370 PolarHBondContact O-N 3.04Å
371	G	97.5	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-159.7	179.6	0	0	0	0	0	113.1	V45 V277 I364 F369	V45-G371 CarbonylContact O-C 3.53Å; V45-G371 VanDerWaalsContact O-CA 3.26Å; V45-G371 WeakPolarHBondContact O-CA 3.24Å; V277-G371 PolarHBondContact N-O 2.97Å; I364-G371 WeakPolarHBondContact CG2-O 3.32Å; F369-G371 PolarHBondContact O-N 3.11Å; F369-G371 VanDerWaalsContact O-N 3.12Å
372	A	98.4	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.9	177.6	0	0	0	0	0	111.1	V45 R46 G47 V277 L279 L361 I364 M401 L405	V45-A372 PolarHBondContact O-N 2.93Å; R46-A372 WeakPolarHBondContact CA-O 3.48Å; G47-A372 PolarHBondContact N-O 2.92Å; V277-A372 CarbonylContact O-C 3.6Å; V277-A372 VanDerWaalsContact O-CA 3.22Å; V277-A372 WeakPolarHBondContact O-CA 3.31Å; L279-A372 HydrophobicContact CD1-CB 3.99Å; L279-A372 HydrophobicContact CG-CB 4.41Å; L361-A372 HydrophobicContact CD2-CB 3.74Å; I364-A372 HydrophobicContact CD1-CB 3.92Å; A372-M401 HydrophobicContact CB-CG 4.3Å; A372-M401 HydrophobicContact CB-SD 3.86Å; A372-L405 HydrophobicContact CB-CD1 3.73Å
373	F	98.6	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.5	168.5	77.9	-89.3	0	0	0	111.4	G47 Y49 N223 V224 M225 Y227 I276 V277 G278 L279	G47-F373 CarbonylContact O-C 3.48Å; G47-F373 WeakPolarHBondContact O-CA 3.5Å; Y49-F373 AromaticContact CD2-CD2 3.57Å; Y49-F373 HydrophobicContact CD2-CD2 3.57Å; Y49-F373 AromaticContact CD2-CE2 3.92Å; Y49-F373 HydrophobicContact CD2-CE2 3.92Å; Y49-F373 AromaticContact CE2-CD2 3.4Å; Y49-F373 HydrophobicContact CE2-CD2 3.4Å; Y49-F373 AromaticContact CE2-CE2 3.56Å; Y49-F373 HydrophobicContact CE2-CE2 3.56Å; Y49-F373 HydrophobicContact CE2-CG 4.19Å; Y49-F373 HydrophobicContact CE2-CZ 4.49Å; N223-F373 VanDerWaalsContact C-CE1 3.49Å; N223-F373 HydrophobicContact CB-CD1 3.76Å; N223-F373 HydrophobicContact CB-CE1 3.51Å; N223-F373 HydrophobicContact CB-CG 4.39Å; N223-F373 HydrophobicContact CB-CZ 3.92Å; V224-F373 WeakPolarHBondContact O-CE1 3.19Å; M225-F373 HydrophobicContact CG-CZ 4.17Å; Y227-F373 AromaticContact CE1-CE2 3.99Å; Y227-F373 HydrophobicContact CE1-CE2 3.99Å; Y227-F373 HydrophobicContact CE1-CZ 4.01Å; I276-F373 HydrophobicContact CB-CD1 4.39Å; I276-F373 HydrophobicContact CG2-CB 4.03Å; I276-F373 HydrophobicContact CG2-CD1 3.99Å; V277-F373 PolarHBondContact O-N 3.32Å; G278-F373 CarbonylContact C-O 3.58Å; G278-F373 VanDerWaalsContact CA-CZ 3.43Å; G278-F373 VanDerWaalsContact N-CE1 3.34Å; L279-F373 PolarHBondContact N-O 2.82Å
374	V	98.6	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.4	175	-61.9	0	0	0	0	112.4	G47 C48 Y49 L279 T281 F357 L377 V398 M401	G47-V374 PolarHBondContact O-N 3.01Å; C48-V374 HydrophobicContact CB-CG2 4.02Å; Y49-V374 PolarHBondContact N-O 3.43Å; Y49-V374 VanDerWaalsContact N-O 3.09Å; L279-V374 HydrophobicContact CB-CG1 4.49Å; L279-V374 VanDerWaalsContact O-CA 3.27Å; L279-V374 WeakPolarHBondContact O-CA 3.35Å; T281-V374 HydrophobicContact CG2-CB 4.14Å; T281-V374 HydrophobicContact CG2-CG1 4.21Å; F357-V374 HydrophobicContact CE1-CG1 4.04Å; F357-V374 HydrophobicContact CZ-CG1 4.47Å; V374-L377 HydrophobicContact CG2-CD2 4.48Å; V374-V398 HydrophobicContact CG1-CG2 4.31Å; V374-V398 HydrophobicContact CG2-CG2 4.01Å; V374-M401 HydrophobicContact CG1-CE 4Å; V374-M401 HydrophobicContact CG1-SD 4.09Å
375	W	97.9	Very high	95.7	Very high	50 Å²	50	30 Å²	30	19%	0.189	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	105.9	160.9	-179.5	-87.9	0	0	0	107.8	Y49 V51 W53 A79 F80 Y227 L279 P280 T281 Y282	Y49-W375 AromaticContact CD1-CE3 3.79Å; Y49-W375 HydrophobicContact CD1-CE3 3.79Å; Y49-W375 AromaticContact CD1-CZ3 3.61Å; Y49-W375 HydrophobicContact CD1-CZ3 3.61Å; Y49-W375 HydrophobicContact CD2-CE3 4.15Å; Y49-W375 HydrophobicContact CE1-CZ3 4.36Å; Y49-W375 AromaticContact CG-CE3 3.55Å; Y49-W375 HydrophobicContact CG-CE3 3.55Å; Y49-W375 AromaticContact CG-CZ3 3.85Å; Y49-W375 HydrophobicContact CG-CZ3 3.85Å; V51-W375 HydrophobicContact CG1-CH2 3.84Å; V51-W375 HydrophobicContact CG1-CZ2 4.17Å; V51-W375 HydrophobicContact CG1-CZ3 4.28Å; W53-W375 AromaticContact CH2-CH2 3.96Å; W53-W375 HydrophobicContact CH2-CH2 3.96Å; W53-W375 HydrophobicContact CH2-CZ2 4.24Å; W53-W375 HydrophobicContact CZ2-CH2 4.43Å; W53-W375 HydrophobicContact CZ2-CZ2 4.27Å; A79-W375 HydrophobicContact CB-CH2 4.47Å; A79-W375 HydrophobicContact CB-CZ3 4.26Å; F80-W375 AromaticContact CE2-CH2 3.65Å; F80-W375 HydrophobicContact CE2-CH2 3.65Å; F80-W375 HydrophobicContact CE2-CZ3 4.24Å; F80-W375 AromaticContact CZ-CH2 3.6Å; F80-W375 HydrophobicContact CZ-CH2 3.6Å; F80-W375 AromaticContact CZ-CZ3 3.75Å; F80-W375 HydrophobicContact CZ-CZ3 3.75Å; Y227-W375 HydrophobicContact CE1-CB 3.92Å; Y227-W375 HydrophobicContact CE2-CB 4.46Å; Y227-W375 WeakPolarHBondContact OH-CB 3.43Å; L279-W375 PolarHBondContact O-N 2.83Å; P280-W375 WeakPolarHBondContact CA-O 3.48Å; T281-W375 PolarHBondContact N-O 2.86Å; T281-W375 PolarHBondContact OG1-O 2.74Å; Y282-W375 AromaticContact CD1-CD1 3.94Å; Y282-W375 WeakPolarHBondContact CD1-O 3.41Å; Y282-W375 AromaticContact CE1-CD1 3.51Å
376	S	97.3	Very high	95.7	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	13%	0.131	C	C	.	.			cis	-145.2	158.9	-2.2	53.3	0	0	0	0	111.1	T281 D378 T379	T281-S376 PolarHBondContact OG1-N 2.77Å; T281-S376 PolarHBondContact OG1-O 2.69Å; S376-D378 VanDerWaalsContact CB-OD1 3.25Å; S376-D378 WeakPolarHBondContact CB-OD1 3.47Å; S376-D378 PolarHBondContact O-N 2.98Å; S376-D378 PolarHBondContact OG-OD1 2.99Å; S376-T379 PolarHBondContact N-OG1 2.88Å; S376-T379 PolarHBondContact O-N 2.89Å; S376-T379 PolarHBondContact O-OG1 3.13Å
377	L	97.9	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-48.7	-39.2	-172.9	-74.9	172.4	0	0	0	114.6	C48 Y49 M50 Y63 Y68 V374 T379 D380 Y395 V398	C48-L377 HydrophobicContact CB-CD1 3.94Å; C48-L377 HydrophobicContact CB-CD2 3.87Å; C48-L377 HydrophobicContact CB-CG 3.87Å; Y49-L377 PolarHBondContact O-N 2.7Å; M50-L377 HydrophobicContact CB-CD1 4.11Å; M50-L377 HydrophobicContact CE-CD1 3.93Å; Y63-L377 HydrophobicContact CE2-CB 4.31Å; Y68-L377 HydrophobicContact CD2-CD1 3.96Å; Y68-L377 HydrophobicContact CE2-CD1 4.43Å; V374-L377 HydrophobicContact CG2-CD2 4.48Å; L377-T379 PolarHBondContact O-N 2.59Å; L377-D380 PolarHBondContact O-N 3.2Å; L377-Y395 HydrophobicContact CB-CE1 4.17Å; L377-Y395 HydrophobicContact CD2-CD1 4.19Å; L377-Y395 HydrophobicContact CD2-CE1 3.96Å; L377-V398 HydrophobicContact CD2-CG1 4.31Å; L377-V398 HydrophobicContact CD2-CG2 4Å
378	D	97	Very high	95.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-72.8	-6.3	-177.1	68.7	-67.1	0	0	0	114.4	V51 A54 R57 Y63 Y319 S376 F382	V51-D378 HydrophobicContact CG2-CB 4.29Å; V51-D378 VanDerWaalsContact CG2-CG 3.45Å; V51-D378 VanDerWaalsContact CG2-OD1 3.22Å; V51-D378 WeakPolarHBondContact CG2-OD1 3.47Å; A54-D378 HydrophobicContact CB-CB 3.63Å; R57-D378 IonicContact CZ-OD2 2.82Å; R57-D378 IonicContact NE-OD2 2.88Å; R57-D378 PolarHBondContact NH1-O 3.47Å; R57-D378 IonicContact NH1-OD2 3.19Å; R57-D378 PolarHBondContact NH1-OD2 3.15Å; R57-D378 IonicContact NH2-OD2 3.85Å; R57-D378 PolarHBondContact NH2-OD2 3.07Å; Y63-D378 HydrophobicContact CD1-CB 3.97Å; Y63-D378 HydrophobicContact CD2-CB 3.77Å; Y63-D378 HydrophobicContact CE2-CB 4.44Å; Y63-D378 HydrophobicContact CG-CB 3.51Å; Y319-D378 VanDerWaalsContact CE1-O 3.26Å; Y319-D378 WeakPolarHBondContact CE1-O 3.47Å; S376-D378 VanDerWaalsContact CB-OD1 3.25Å; S376-D378 WeakPolarHBondContact CB-OD1 3.47Å; S376-D378 PolarHBondContact O-N 2.98Å; S376-D378 PolarHBondContact OG-OD1 2.99Å; D378-F382 WeakPolarHBondContact O-CE1 3.39Å
379	T	97.8	Very high	95.5	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.037	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-105.2	-10.3	178.6	52.7	0	0	0	0	113.4	T281 A317 F318 Y319 S376 L377	T281-T379 CarbonylContact O-C 3.58Å; T281-T379 VanDerWaalsContact O-CB 3.29Å; T281-T379 WeakPolarHBondContact O-CB 3.46Å; T281-T379 VanDerWaalsContact O-O 3.04Å; T281-T379 PolarHBondContact O-OG1 2.88Å; T281-T379 PolarHBondContact OG1-OG1 2.89Å; A317-T379 HydrophobicContact CB-CG2 4.11Å; F318-T379 WeakPolarHBondContact CB-O 3.42Å; F318-T379 PolarHBondContact N-O 2.6Å; Y319-T379 WeakPolarHBondContact CD1-O 3.26Å; Y319-T379 PolarHBondContact N-O 3.3Å; S376-T379 PolarHBondContact N-OG1 2.88Å; S376-T379 PolarHBondContact O-N 2.89Å; S376-T379 PolarHBondContact O-OG1 3.13Å; L377-T379 PolarHBondContact O-N 2.59Å
380	D	98	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-75.7	169	166.2	-157.8	-6.8	0	0	0	110.7	T281 F318 Y319 L377 F382 Y395 P396 L397 V398	T281-D380 HydrophobicContact CG2-CB 4.11Å; F318-D380 WeakPolarHBondContact CD1-OD1 3.15Å; Y319-D380 WeakPolarHBondContact CD1-O 3.28Å; L377-D380 PolarHBondContact O-N 3.2Å; D380-F382 VanDerWaalsContact O-CD1 3.32Å; D380-F382 WeakPolarHBondContact O-CD1 3.06Å; D380-F382 PolarHBondContact O-N 3.02Å; D380-Y395 HydrophobicContact CB-CD1 4.25Å; D380-Y395 VanDerWaalsContact OD2-CA 3.22Å; D380-Y395 WeakPolarHBondContact OD2-CA 3.4Å; D380-P396 WeakPolarHBondContact OD1-CD 3.43Å; D380-P396 WeakPolarHBondContact OD1-CG 3.25Å; D380-L397 PolarHBondContact OD1-N 2.76Å; D380-L397 WeakPolarHBondContact OD2-CA 3.21Å; D380-L397 WeakPolarHBondContact OD2-CB 3.44Å; D380-L397 PolarHBondContact OD2-N 2.94Å; D380-V398 HydrophobicContact CB-CG2 4.45Å; D380-V398 WeakPolarHBondContact OD2-CG2 3.45Å; D380-V398 PolarHBondContact OD2-N 3.1Å
381	D	96.6	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.			trans	-74.3	68.2	173.4	-173	1.7	0	0	0	110.9	K383 G384 I385 F386 C387 T394 Y395 P396	D381-K383 PolarHBondContact O-N 3.17Å; D381-G384 PolarHBondContact O-N 2.68Å; D381-G384 VanDerWaalsContact OD1-CA 3.3Å; D381-G384 WeakPolarHBondContact OD1-CA 3.39Å; D381-G384 PolarHBondContact OD1-N 3.3Å; D381-I385 PolarHBondContact OD1-N 3.22Å; D381-F386 VanDerWaalsContact OD1-CD2 3.23Å; D381-F386 WeakPolarHBondContact OD1-CD2 3.38Å; D381-F386 PolarHBondContact OD1-N 3.24Å; D381-F386 PolarHBondContact OD2-N 3.07Å; D381-F386 VanDerWaalsContact OD2-N 3.1Å; D381-C387 HydrophobicContact CB-CB 4.43Å; D381-C387 WeakPolarHBondContact OD2-CB 3.27Å; D381-C387 PolarHBondContact OD2-N 3.03Å; D381-T394 CarbonylContact O-C 3.53Å; D381-T394 VanDerWaalsContact O-CA 3.28Å; D381-T394 WeakPolarHBondContact O-CA 3.32Å; D381-Y395 PolarHBondContact O-N 2.85Å; D381-P396 HydrophobicContact CB-CG 4.05Å
382	F	95.6	Very high	94.2	Very high	7 Å²	7	30 Å²	30	3%	0.031	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.9	-176.1	66.3	-90.8	0	0	0	113.7	S62 Y63 D67 Y319 D378 D380 T394 Y395	S62-F382 WeakPolarHBondContact O-CE2 3.3Å; S62-F382 VanDerWaalsContact O-CZ 3.3Å; S62-F382 WeakPolarHBondContact O-CZ 3.24Å; Y63-F382 HydrophobicContact CD2-CB 4.26Å; Y63-F382 AromaticContact CD2-CD1 3.84Å; Y63-F382 HydrophobicContact CD2-CD1 3.84Å; Y63-F382 AromaticContact CD2-CD2 3.5Å; Y63-F382 HydrophobicContact CD2-CD2 3.5Å; Y63-F382 AromaticContact CD2-CE1 3.98Å; Y63-F382 HydrophobicContact CD2-CE1 3.98Å; Y63-F382 AromaticContact CD2-CE2 3.58Å; Y63-F382 HydrophobicContact CD2-CE2 3.58Å; Y63-F382 AromaticContact CD2-CG 3.62Å; Y63-F382 HydrophobicContact CD2-CG 3.62Å; Y63-F382 AromaticContact CD2-CZ 3.86Å; Y63-F382 HydrophobicContact CD2-CZ 3.86Å; Y63-F382 HydrophobicContact CE2-CB 4.03Å; Y63-F382 HydrophobicContact CE2-CD1 4.39Å; Y63-F382 AromaticContact CE2-CD2 3.94Å; Y63-F382 HydrophobicContact CE2-CD2 3.94Å; Y63-F382 HydrophobicContact CE2-CE2 4.45Å; Y63-F382 AromaticContact CE2-CG 3.9Å; Y63-F382 HydrophobicContact CE2-CG 3.9Å; Y63-F382 HydrophobicContact CG-CE2 4.34Å; Y63-F382 HydrophobicContact CG-CZ 4.43Å; D67-F382 HydrophobicContact CB-CD2 4.15Å; Y319-F382 HydrophobicContact CE1-CE1 4.3Å; D378-F382 WeakPolarHBondContact O-CE1 3.39Å; D380-F382 VanDerWaalsContact O-CD1 3.32Å; D380-F382 WeakPolarHBondContact O-CD1 3.06Å; D380-F382 PolarHBondContact O-N 3.02Å; F382-T394 VanDerWaalsContact O-CG2 3.3Å; F382-T394 WeakPolarHBondContact O-CG2 3.25Å; F382-Y395 HydrophobicContact CB-CD1 3.83Å; F382-Y395 HydrophobicContact CB-CD2 4.43Å; F382-Y395 HydrophobicContact CB-CE1 3.31Å; F382-Y395 HydrophobicContact CB-CE2 3.97Å; F382-Y395 HydrophobicContact CB-CG 4.37Å; F382-Y395 VanDerWaalsContact CB-CZ 3.41Å
383	K	92.2	Very high	93.9	Very high	61 Å²	61	34.3 Å²	34.3	27%	0.265	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-15.3	176.1	-63.8	-164.6	178.8	178	0	113.3	N60 S62 D381 I385 F386	N60-K383 HydrophobicContact CB-CD 4.28Å; N60-K383 VanDerWaalsContact O-CD 3.24Å; N60-K383 WeakPolarHBondContact O-CD 3.18Å; N60-K383 WeakPolarHBondContact O-CE 3.17Å; N60-K383 PolarHBondContact O-NZ 2.81Å; S62-K383 WeakPolarHBondContact O-CE 3.45Å; S62-K383 PolarHBondContact O-NZ 3.33Å; D381-K383 PolarHBondContact O-N 3.17Å; K383-I385 HydrophobicContact CB-CD1 4.06Å; K383-I385 HydrophobicContact CB-CG1 3.86Å; K383-I385 HydrophobicContact CB-CG2 4.49Å; K383-I385 HydrophobicContact CD-CD1 4.3Å; K383-I385 PolarHBondContact O-N 3.25Å; K383-F386 HydrophobicContact CB-CE2 4.35Å
384	G	93	Very high	93.7	Very high	8 Å²	8	35.4 Å²	35.4	8%	0.082	19%	0.187	C	C	.	.	S	Bend	trans	69.7	13.6	-177.1	0	0	0	0	0	114.4	D381 G392	D381-G384 PolarHBondContact O-N 2.68Å; D381-G384 VanDerWaalsContact OD1-CA 3.3Å; D381-G384 WeakPolarHBondContact OD1-CA 3.39Å; D381-G384 PolarHBondContact OD1-N 3.3Å; G384-G392 WeakPolarHBondContact O-CA 3.16Å
385	I	92.8	Very high	93.7	Very high	87 Å²	87	35.4 Å²	35.4	45%	0.446	19%	0.187	S	C	.	.			trans	-107.8	-15.3	-172.9	65.4	179.5	0	0	0	113.1	N60 D381 K383	N60-I385 HydrophobicContact CB-CD1 3.94Å; N60-I385 WeakPolarHBondContact ND2-CD1 3.22Å; D381-I385 PolarHBondContact OD1-N 3.22Å; K383-I385 HydrophobicContact CB-CD1 4.06Å; K383-I385 HydrophobicContact CB-CG1 3.86Å; K383-I385 HydrophobicContact CB-CG2 4.49Å; K383-I385 HydrophobicContact CD-CD1 4.3Å; K383-I385 PolarHBondContact O-N 3.25Å
386	F	92.5	Very high	93.6	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	18%	0.178	C	C	.	.	S	Bend	trans	-88.2	-38.5	-172	-62.7	-73.9	0	0	0	111.7	N60 Y309 Y319 C322 E323 K326 D381 K383 P388	N60-F386 HydrophobicContact CB-CE1 3.93Å; N60-F386 HydrophobicContact CB-CE2 4.34Å; N60-F386 HydrophobicContact CB-CZ 3.41Å; N60-F386 VanDerWaalsContact CB-CZ 3.41Å; Y309-F386 HydrophobicContact CE1-CE1 4.19Å; Y309-F386 HydrophobicContact CE1-CZ 4.42Å; Y309-F386 AromaticContact CE2-CE1 3.87Å; Y309-F386 HydrophobicContact CE2-CE1 3.87Å; Y309-F386 AromaticContact CZ-CE1 3.64Å; Y319-F386 VanDerWaalsContact CB-CD2 3.48Å; Y319-F386 HydrophobicContact CD2-CD1 4.13Å; Y319-F386 AromaticContact CD2-CD2 3.99Å; Y319-F386 HydrophobicContact CD2-CD2 3.99Å; Y319-F386 HydrophobicContact CD2-CE1 4.08Å; Y319-F386 AromaticContact CD2-CE2 3.94Å; Y319-F386 HydrophobicContact CD2-CE2 3.94Å; Y319-F386 HydrophobicContact CD2-CG 4.08Å; Y319-F386 AromaticContact CD2-CZ 3.95Å; Y319-F386 HydrophobicContact CD2-CZ 3.95Å; Y319-F386 HydrophobicContact CE2-CZ 4.32Å; Y319-F386 AromaticContact CG-CD2 3.84Å; Y319-F386 HydrophobicContact CG-CD2 3.84Å; Y319-F386 HydrophobicContact CG-CE2 4.03Å; Y319-F386 HydrophobicContact CG-CG 4.18Å; C322-F386 VanDerWaalsContact CB-O 3.29Å; C322-F386 WeakPolarHBondContact CB-O 3.46Å; E323-F386 HydrophobicContact CG-CD1 3.9Å; K326-F386 WeakPolarHBondContact CE-O 3.42Å; K326-F386 PolarHBondContact NZ-O 3.22Å; D381-F386 VanDerWaalsContact OD1-CD2 3.23Å; D381-F386 WeakPolarHBondContact OD1-CD2 3.38Å; D381-F386 PolarHBondContact OD1-N 3.24Å; D381-F386 PolarHBondContact OD2-N 3.07Å; D381-F386 VanDerWaalsContact OD2-N 3.1Å; K383-F386 HydrophobicContact CB-CE2 4.35Å; F386-P388 WeakPolarHBondContact O-CD 3.29Å
387	C	93.5	Very high	93.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.			trans	-108.4	89.1	-172.5	-60.3	0	0	0	0	111.7	C322 D381 Q389 Y390	C322-C387 HydrophobicContact CB-CB 3.85Å; C322-C387 WeakPolarHBondContact CB-SG 3.31Å; C322-C387 WeakPolarHBondContact SG-CB 3.25Å; C322-C387 CovalentContact SG-SG 2.03Å; C322-C387 PolarHBondContact SG-SG 3.15Å; D381-C387 HydrophobicContact CB-CB 4.43Å; D381-C387 WeakPolarHBondContact OD2-CB 3.27Å; D381-C387 PolarHBondContact OD2-N 3.03Å; C387-Q389 PolarHBondContact O-N 3.06Å; C387-Q389 VanDerWaalsContact O-N 3.09Å; C387-Y390 HydrophobicContact CB-CD2 3.5Å; C387-Y390 VanDerWaalsContact CB-CD2 3.5Å; C387-Y390 HydrophobicContact CB-CE2 3.97Å; C387-Y390 PolarHBondContact O-N 3.32Å
388	P	88.4	Confident	93.7	Very high	84 Å²	84	32.9 Å²	32.9	55%	0.545	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-60.7	-26.3	-172.9	25.3	-35.6	0	0	0	113.4	F386 Y390 K391	F386-P388 WeakPolarHBondContact O-CD 3.29Å; P388-Y390 PolarHBondContact O-N 3.24Å; P388-K391 PolarHBondContact O-N 2.81Å
389	Q	90	Very high	93.6	Very high	104 Å²	104	36.8 Å²	36.8	49%	0.486	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-61.1	-22.6	176.3	70.5	-84.4	27	0	0	113.4	C322 C387	C322-Q389 PolarHBondContact SG-NE2 2.78Å; C387-Q389 PolarHBondContact O-N 3.06Å; C387-Q389 VanDerWaalsContact O-N 3.09Å
390	Y	90.5	Very high	93.6	Very high	43 Å²	43	37.6 Å²	37.6	17%	0.169	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-97.9	8.8	176	-54.2	-68.1	0	0	0	113.4	F318 T354 C387 P388 G392 M393 P396	F318-Y390 AromaticContact CE1-CE2 3.87Å; F318-Y390 HydrophobicContact CE1-CE2 3.87Å; F318-Y390 AromaticContact CZ-CE2 3.63Å; F318-Y390 HydrophobicContact CZ-CE2 3.63Å; T354-Y390 HydrophobicContact CG2-CE1 3.61Å; T354-Y390 VanDerWaalsContact CG2-OH 3.29Å; T354-Y390 WeakPolarHBondContact CG2-OH 3.42Å; T354-Y390 PolarHBondContact OG1-OH 2.97Å; C387-Y390 HydrophobicContact CB-CD2 3.5Å; C387-Y390 VanDerWaalsContact CB-CD2 3.5Å; C387-Y390 HydrophobicContact CB-CE2 3.97Å; C387-Y390 PolarHBondContact O-N 3.32Å; P388-Y390 PolarHBondContact O-N 3.24Å; Y390-G392 PolarHBondContact O-N 2.75Å; Y390-M393 WeakPolarHBondContact O-CB 3.43Å; Y390-M393 PolarHBondContact O-N 3.15Å; Y390-P396 HydrophobicContact CD1-CB 3.91Å; Y390-P396 HydrophobicContact CD2-CB 3.68Å; Y390-P396 HydrophobicContact CD2-CG 3.75Å; Y390-P396 HydrophobicContact CE1-CB 4.11Å; Y390-P396 HydrophobicContact CE2-CB 3.92Å; Y390-P396 HydrophobicContact CE2-CG 4.01Å; Y390-P396 HydrophobicContact CG-CB 3.69Å; Y390-P396 HydrophobicContact CG-CG 4.21Å
391	K	87.2	Confident	93.5	Very high	125 Å²	125	37.6 Å²	37.6	54%	0.543	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.8	166	-58.4	-177.2	165.7	-163.2	0	115.6	P388 M393 E945	P388-K391 PolarHBondContact O-N 2.81Å; K391-M393 VanDerWaalsContact C-N 3.34Å; K391-E945 IonicContact NZ-OE1 3.5Å; K391-E945 IonicContact NZ-OE2 3.84Å; K391-E945 PolarHBondContact NZ-OE2 2.78Å
392	G	84.8	Confident	93.4	Very high	49 Å²	49	38.5 Å²	38.5	51%	0.505	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-3.2	-179.5	0	0	0	0	0	114.6	G384 Y390 T394	G384-G392 WeakPolarHBondContact O-CA 3.16Å; Y390-G392 PolarHBondContact O-N 2.75Å; G392-T394 PolarHBondContact O-N 2.89Å
393	M	91.2	Very high	93.2	Very high	90 Å²	90	41.2 Å²	41.2	44%	0.443	23%	0.226	S	C	.	.			trans	-68.2	120.8	178.4	-178	-175.6	-61.9	0	0	110.5	Y390 K391	Y390-M393 WeakPolarHBondContact O-CB 3.43Å; Y390-M393 PolarHBondContact O-N 3.15Å; K391-M393 VanDerWaalsContact C-N 3.34Å
394	T	95.5	Very high	93.3	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.135	22%	0.221	C	C	.	.	S	Bend	trans	-71.3	149.2	170.1	56.2	0	0	0	0	110.8	E69 D381 F382 G392 R399	E69-T394 VanDerWaalsContact OE1-CB 3.3Å; E69-T394 WeakPolarHBondContact OE1-CB 3.41Å; E69-T394 PolarHBondContact OE1-OG1 3.44Å; D381-T394 CarbonylContact O-C 3.53Å; D381-T394 VanDerWaalsContact O-CA 3.28Å; D381-T394 WeakPolarHBondContact O-CA 3.32Å; F382-T394 VanDerWaalsContact O-CG2 3.3Å; F382-T394 WeakPolarHBondContact O-CG2 3.25Å; G392-T394 PolarHBondContact O-N 2.89Å; T394-R399 VanDerWaalsContact O-CD 3.25Å; T394-R399 WeakPolarHBondContact O-CD 3.22Å; T394-R399 PolarHBondContact O-NE 3.2Å; T394-R399 PolarHBondContact OG1-NH2 3.17Å
395	Y	97.3	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.			trans	50.4	50.4	174.1	-56.7	-82.6	0	0	0	115.8	Y63 D67 E69 L72 L377 D380 D381 F382 L397 V398 R399	Y63-Y395 HydrophobicContact CE2-CE1 4.15Å; Y63-Y395 WeakPolarHBondContact CE2-OH 3.21Å; Y63-Y395 PolarHBondContact OH-OH 2.91Å; D67-Y395 WeakPolarHBondContact O-CE2 3.43Å; D67-Y395 PolarHBondContact O-OH 3.13Å; E69-Y395 HydrophobicContact CG-CE2 4.23Å; L72-Y395 HydrophobicContact CD1-CD2 3.63Å; L72-Y395 HydrophobicContact CD1-CE2 4.12Å; L72-Y395 HydrophobicContact CD1-CG 3.85Å; L377-Y395 HydrophobicContact CB-CE1 4.17Å; L377-Y395 HydrophobicContact CD2-CD1 4.19Å; L377-Y395 HydrophobicContact CD2-CE1 3.96Å; D380-Y395 HydrophobicContact CB-CD1 4.25Å; D380-Y395 VanDerWaalsContact OD2-CA 3.22Å; D380-Y395 WeakPolarHBondContact OD2-CA 3.4Å; D381-Y395 PolarHBondContact O-N 2.85Å; F382-Y395 HydrophobicContact CB-CD1 3.83Å; F382-Y395 HydrophobicContact CB-CD2 4.43Å; F382-Y395 HydrophobicContact CB-CE1 3.31Å; F382-Y395 HydrophobicContact CB-CE2 3.97Å; F382-Y395 HydrophobicContact CB-CG 4.37Å; F382-Y395 VanDerWaalsContact CB-CZ 3.41Å; Y395-L397 VanDerWaalsContact C-N 3.29Å; Y395-L397 PolarHBondContact O-N 2.76Å; Y395-V398 HydrophobicContact CD1-CG2 4.32Å; Y395-V398 PolarHBondContact O-N 2.92Å; Y395-R399 VanDerWaalsContact O-CB 3.3Å; Y395-R399 WeakPolarHBondContact O-CB 3.2Å; Y395-R399 VanDerWaalsContact O-CG 3.29Å; Y395-R399 WeakPolarHBondContact O-CG 3.46Å; Y395-R399 PolarHBondContact O-N 3.16Å
396	P	97.4	Very high	92.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-36.1	-175.5	22.9	-35.3	0	0	0	114.4	F318 T354 D380 D381 Y390 T400	F318-P396 HydrophobicContact CD1-CG 4.26Å; F318-P396 HydrophobicContact CE1-CG 3.58Å; F318-P396 HydrophobicContact CZ-CG 4.47Å; T354-P396 HydrophobicContact CG2-CB 4.34Å; D380-P396 WeakPolarHBondContact OD1-CD 3.43Å; D380-P396 WeakPolarHBondContact OD1-CG 3.25Å; D381-P396 HydrophobicContact CB-CG 4.05Å; Y390-P396 HydrophobicContact CD1-CB 3.91Å; Y390-P396 HydrophobicContact CD2-CB 3.68Å; Y390-P396 HydrophobicContact CD2-CG 3.75Å; Y390-P396 HydrophobicContact CE1-CB 4.11Å; Y390-P396 HydrophobicContact CE2-CB 3.92Å; Y390-P396 HydrophobicContact CE2-CG 4.01Å; Y390-P396 HydrophobicContact CG-CB 3.69Å; Y390-P396 HydrophobicContact CG-CG 4.21Å; P396-T400 PolarHBondContact O-N 3.01Å; P396-T400 VanDerWaalsContact O-N 3.14Å; P396-T400 PolarHBondContact O-OG1 3.32Å
397	L	97.9	Very high	91.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.8	-45.8	178.2	-61.2	-175.9	0	0	0	111.6	T281 F318 D353 T354 F357 D380 Y395 R399 T400 M401	T281-L397 HydrophobicContact CG2-CB 4.04Å; T281-L397 HydrophobicContact CG2-CD1 3.86Å; F318-L397 HydrophobicContact CB-CD1 3.89Å; F318-L397 HydrophobicContact CD1-CD1 4.04Å; F318-L397 HydrophobicContact CD1-CG 4.04Å; F318-L397 HydrophobicContact CD2-CD1 3.63Å; F318-L397 HydrophobicContact CD2-CD2 4.32Å; F318-L397 HydrophobicContact CD2-CG 4.15Å; F318-L397 HydrophobicContact CE1-CD1 4.5Å; F318-L397 HydrophobicContact CE1-CD2 4.42Å; F318-L397 HydrophobicContact CE1-CG 4.1Å; F318-L397 HydrophobicContact CE2-CD1 4.13Å; F318-L397 HydrophobicContact CE2-CD2 3.96Å; F318-L397 HydrophobicContact CE2-CG 4.19Å; F318-L397 HydrophobicContact CG-CD1 3.56Å; F318-L397 HydrophobicContact CG-CG 4.06Å; F318-L397 HydrophobicContact CZ-CD2 3.99Å; F318-L397 HydrophobicContact CZ-CG 4.14Å; D353-L397 VanDerWaalsContact C-CD2 3.4Å; T354-L397 HydrophobicContact CG2-CD2 3.86Å; F357-L397 HydrophobicContact CD1-CB 3.91Å; F357-L397 HydrophobicContact CD1-CD2 4.49Å; F357-L397 WeakPolarHBondContact CD1-O 3.36Å; F357-L397 HydrophobicContact CD2-CD2 4.25Å; F357-L397 HydrophobicContact CE1-CB 3.64Å; F357-L397 HydrophobicContact CE2-CD1 4.07Å; F357-L397 HydrophobicContact CG-CB 4.47Å; F357-L397 HydrophobicContact CG-CD2 4.24Å; F357-L397 HydrophobicContact CZ-CB 3.98Å; F357-L397 HydrophobicContact CZ-CD1 4.01Å; F357-L397 HydrophobicContact CZ-CG 4.48Å; D380-L397 PolarHBondContact OD1-N 2.76Å; D380-L397 WeakPolarHBondContact OD2-CA 3.21Å; D380-L397 WeakPolarHBondContact OD2-CB 3.44Å; D380-L397 PolarHBondContact OD2-N 2.94Å; Y395-L397 VanDerWaalsContact C-N 3.29Å; Y395-L397 PolarHBondContact O-N 2.76Å; L397-R399 VanDerWaalsContact C-N 3.31Å; L397-R399 PolarHBondContact O-N 2.64Å; L397-T400 VanDerWaalsContact O-CB 3.31Å; L397-T400 WeakPolarHBondContact O-CB 3.15Å; L397-T400 PolarHBondContact O-N 3.22Å; L397-T400 VanDerWaalsContact O-N 3.14Å; L397-M401 PolarHBondContact O-N 2.81Å; L397-M401 VanDerWaalsContact O-N 3.08Å
398	V	98	Very high	89.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-35.8	178	-175.3	0	0	0	0	111.2	L72 V374 L377 D380 Y395 T400 M401 S402	L72-V398 HydrophobicContact CB-CG1 4.04Å; L72-V398 HydrophobicContact CD1-CG1 4.42Å; V374-V398 HydrophobicContact CG1-CG2 4.31Å; V374-V398 HydrophobicContact CG2-CG2 4.01Å; L377-V398 HydrophobicContact CD2-CG1 4.31Å; L377-V398 HydrophobicContact CD2-CG2 4Å; D380-V398 HydrophobicContact CB-CG2 4.45Å; D380-V398 WeakPolarHBondContact OD2-CG2 3.45Å; D380-V398 PolarHBondContact OD2-N 3.1Å; Y395-V398 HydrophobicContact CD1-CG2 4.32Å; Y395-V398 PolarHBondContact O-N 2.92Å; V398-T400 VanDerWaalsContact C-N 3.33Å; V398-M401 HydrophobicContact CG1-CE 4.02Å; V398-M401 WeakPolarHBondContact O-CB 3.37Å; V398-M401 PolarHBondContact O-N 2.78Å; V398-S402 WeakPolarHBondContact O-CB 3.4Å; V398-S402 PolarHBondContact O-N 3.34Å
399	R	96.5	Very high	86.4	Confident	81 Å²	81	52.1 Å²	52.1	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-37.5	172.9	-75.9	-174.3	-170.1	-77.7	5.2	112.1	E69 L72 T394 Y395 L397 M401 S402 A403	E69-R399 IonicContact OE1-NH2 2.9Å; E69-R399 PolarHBondContact OE1-NH2 3.46Å; E69-R399 IonicContact OE2-CZ 3.55Å; E69-R399 IonicContact OE2-NH1 3.04Å; E69-R399 IonicContact OE2-NH2 2.8Å; E69-R399 PolarHBondContact OE2-NH2 3.48Å; L72-R399 HydrophobicContact CD2-CG 3.6Å; T394-R399 VanDerWaalsContact O-CD 3.25Å; T394-R399 WeakPolarHBondContact O-CD 3.22Å; T394-R399 PolarHBondContact O-NE 3.2Å; T394-R399 PolarHBondContact OG1-NH2 3.17Å; Y395-R399 VanDerWaalsContact O-CB 3.3Å; Y395-R399 WeakPolarHBondContact O-CB 3.2Å; Y395-R399 VanDerWaalsContact O-CG 3.29Å; Y395-R399 WeakPolarHBondContact O-CG 3.46Å; Y395-R399 PolarHBondContact O-N 3.16Å; L397-R399 VanDerWaalsContact C-N 3.31Å; L397-R399 PolarHBondContact O-N 2.64Å; R399-M401 VanDerWaalsContact C-N 3.34Å; R399-M401 PolarHBondContact O-N 3.24Å; R399-S402 PolarHBondContact O-N 3.49Å; R399-A403 WeakPolarHBondContact O-CB 3.26Å; R399-A403 PolarHBondContact O-N 3.28Å
400	T	96.3	Very high	83.5	Confident	24 Å²	24	54.6 Å²	54.6	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-45.9	171.6	-58.7	0	0	0	0	111.1	T354 F357 T358 L361 P396 L397 V398 A403 I404	T354-T400 WeakPolarHBondContact CG2-OG1 2.99Å; F357-T400 HydrophobicContact CB-CG2 4.09Å; T358-T400 WeakPolarHBondContact OG1-CG2 3.27Å; L361-T400 HydrophobicContact CD1-CG2 4.01Å; P396-T400 PolarHBondContact O-N 3.01Å; P396-T400 VanDerWaalsContact O-N 3.14Å; P396-T400 PolarHBondContact O-OG1 3.32Å; L397-T400 VanDerWaalsContact O-CB 3.31Å; L397-T400 WeakPolarHBondContact O-CB 3.15Å; L397-T400 PolarHBondContact O-N 3.22Å; L397-T400 VanDerWaalsContact O-N 3.14Å; V398-T400 VanDerWaalsContact C-N 3.33Å; T400-A403 PolarHBondContact O-N 2.89Å; T400-I404 HydrophobicContact CG2-CD1 3.92Å; T400-I404 WeakPolarHBondContact O-CG1 3.38Å; T400-I404 PolarHBondContact O-N 2.84Å; T400-I404 VanDerWaalsContact O-N 3.16Å
401	M	96.8	Very high	80.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-47.1	172.5	178.9	-178.8	65.7	0	0	112.3	R46 L361 A372 V374 L397 V398 R399 A403 I404 L405	R46-M401 HydrophobicContact CB-CE 4.18Å; R46-M401 HydrophobicContact CG-CG 4.49Å; L361-M401 VanDerWaalsContact CD1-CA 3.44Å; L361-M401 HydrophobicContact CD1-CB 4.05Å; L361-M401 HydrophobicContact CD2-CB 4.07Å; L361-M401 HydrophobicContact CD2-CG 3.8Å; A372-M401 HydrophobicContact CB-CG 4.3Å; A372-M401 HydrophobicContact CB-SD 3.86Å; V374-M401 HydrophobicContact CG1-CE 4Å; V374-M401 HydrophobicContact CG1-SD 4.09Å; L397-M401 PolarHBondContact O-N 2.81Å; L397-M401 VanDerWaalsContact O-N 3.08Å; V398-M401 HydrophobicContact CG1-CE 4.02Å; V398-M401 WeakPolarHBondContact O-CB 3.37Å; V398-M401 PolarHBondContact O-N 2.78Å; R399-M401 VanDerWaalsContact C-N 3.34Å; R399-M401 PolarHBondContact O-N 3.24Å; M401-A403 PolarHBondContact O-N 2.81Å; M401-I404 PolarHBondContact O-N 2.73Å; M401-L405 HydrophobicContact CG-CD1 3.89Å; M401-L405 WeakPolarHBondContact O-CB 3.43Å; M401-L405 PolarHBondContact O-N 2.78Å; M401-L405 VanDerWaalsContact O-N 3.07Å
402	S	93.9	Very high	77.8	Confident	19 Å²	19	57.9 Å²	57.9	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-45.9	-179.2	-174	0	0	0	0	112.4	R46 G71 L72 V398 R399 S406	R46-S402 PolarHBondContact NH1-O 3.34Å; R46-S402 PolarHBondContact NH1-OG 2.9Å; G71-S402 PolarHBondContact O-OG 3.28Å; L72-S402 WeakPolarHBondContact O-CB 3.32Å; L72-S402 PolarHBondContact O-OG 3.29Å; V398-S402 WeakPolarHBondContact O-CB 3.4Å; V398-S402 PolarHBondContact O-N 3.34Å; R399-S402 PolarHBondContact O-N 3.49Å; S402-S406 WeakPolarHBondContact O-CB 3.42Å; S402-S406 PolarHBondContact O-N 3.37Å; S402-S406 VanDerWaalsContact O-N 3.15Å; S402-S406 PolarHBondContact O-OG 2.93Å
403	A	92.4	Very high	74.9	Confident	63 Å²	63	59.2 Å²	59.2	52%	0.521	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-48.1	179.9	0	0	0	0	0	111.9	R399 T400 M401 S406	R399-A403 WeakPolarHBondContact O-CB 3.26Å; R399-A403 PolarHBondContact O-N 3.28Å; T400-A403 PolarHBondContact O-N 2.89Å; M401-A403 PolarHBondContact O-N 2.81Å; A403-S406 PolarHBondContact O-OG 2.92Å
404	I	93.1	Very high	72.1	Confident	31 Å²	31	59.8 Å²	59.8	16%	0.159	35%	0.354	C	S	.	.	H	α-helix	trans	-74.1	-38.4	-173.6	-65.8	173.3	0	0	0	112.4	T358 L361 K365 T400 M401	T358-I404 HydrophobicContact CG2-CD1 3.9Å; L361-I404 HydrophobicContact CB-CB 4.19Å; L361-I404 HydrophobicContact CB-CD1 4Å; L361-I404 HydrophobicContact CB-CG2 3.77Å; L361-I404 HydrophobicContact CD1-CB 4.46Å; L361-I404 HydrophobicContact CD1-CD1 3.94Å; K365-I404 HydrophobicContact CD-CG2 3.81Å; K365-I404 WeakPolarHBondContact CD-O 3.48Å; K365-I404 PolarHBondContact NZ-O 2.94Å; T400-I404 HydrophobicContact CG2-CD1 3.92Å; T400-I404 WeakPolarHBondContact O-CG1 3.38Å; T400-I404 PolarHBondContact O-N 2.84Å; T400-I404 VanDerWaalsContact O-N 3.16Å; M401-I404 PolarHBondContact O-N 2.73Å
405	L	92.9	Very high	68.8	Low	2 Å²	2	63.8 Å²	63.8	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-90.7	-2.7	-176.5	-62.8	-175.6	0	0	0	114.2	F44 R46 L361 K365 A372 M401	F44-L405 HydrophobicContact CB-CB 3.96Å; F44-L405 HydrophobicContact CB-CD1 4.45Å; F44-L405 HydrophobicContact CB-CD2 4.31Å; F44-L405 HydrophobicContact CB-CG 4.47Å; F44-L405 HydrophobicContact CD1-CD2 4.13Å; F44-L405 HydrophobicContact CD2-CD2 4.35Å; F44-L405 HydrophobicContact CG-CB 4.38Å; F44-L405 HydrophobicContact CG-CD2 4Å; R46-L405 HydrophobicContact CG-CB 3.82Å; R46-L405 HydrophobicContact CG-CD1 4.16Å; L361-L405 HydrophobicContact CD2-CD1 3.79Å; L361-L405 HydrophobicContact CD2-CD2 4.42Å; L361-L405 HydrophobicContact CD2-CG 3.96Å; K365-L405 HydrophobicContact CD-CD2 3.99Å; K365-L405 HydrophobicContact CG-CD2 3.6Å; A372-L405 HydrophobicContact CB-CD1 3.73Å; M401-L405 HydrophobicContact CG-CD1 3.89Å; M401-L405 WeakPolarHBondContact O-CB 3.43Å; M401-L405 PolarHBondContact O-N 2.78Å; M401-L405 VanDerWaalsContact O-N 3.07Å
406	S	85.1	Confident	65.5	Low	38 Å²	38	69 Å²	69	27%	0.266	41%	0.407	S	S	.	.			trans	-78.8	138	174.5	70.4	0	0	0	0	112.3	S402 A403 K408	S402-S406 WeakPolarHBondContact O-CB 3.42Å; S402-S406 PolarHBondContact O-N 3.37Å; S402-S406 VanDerWaalsContact O-N 3.15Å; S402-S406 PolarHBondContact O-OG 2.93Å; A403-S406 PolarHBondContact O-OG 2.92Å; S406-K408 PolarHBondContact O-N 2.95Å
407	N	58.1	Low	62.4	Low	64 Å²	64	80.2 Å²	80.2	34%	0.342	45%	0.449	S	S	.	.			trans	-81.3	17.6	-178.8	-63.3	-30.9	0	0	0	115	D42 N43 E409	D42-N407 HydrophobicContact CB-CB 4.38Å; D42-N407 WeakPolarHBondContact CB-ND2 3.32Å; D42-N407 PolarHBondContact O-ND2 3.12Å; D42-N407 PolarHBondContact O-OD1 3.15Å; N43-N407 WeakPolarHBondContact CA-ND2 3.14Å; N43-N407 PolarHBondContact N-ND2 3.28Å; N43-N407 PolarHBondContact OD1-ND2 3.24Å; N407-E409 VanDerWaalsContact C-N 3.33Å; N407-E409 PolarHBondContact O-N 3.04Å; N407-E409 VanDerWaalsContact O-N 3.09Å
408	K	50.2	Low	59.1	Low	149 Å²	149	90.9 Å²	90.9	65%	0.648	49%	0.489	S	S	*	.			trans	-84.4	86.9	175	-69.6	-172.3	177.2	-177.1	0	107.3	S406 N410	S406-K408 PolarHBondContact O-N 2.95Å; K408-N410 PolarHBondContact O-N 2.85Å
409	E	30	Very low	55.8	Low	189 Å²	189	97.3 Å²	97.3	88%	0.883	53%	0.528	S	S	*	.			trans	-59.4	92.8	160.4	-76.7	-168.9	153.4	0	0	108.1	N407	N407-E409 VanDerWaalsContact C-N 3.33Å; N407-E409 PolarHBondContact O-N 3.04Å; N407-E409 VanDerWaalsContact O-N 3.09Å
410	N	29.7	Very low	52.6	Low	156 Å²	156	102.3 Å²	102.3	83%	0.834	55%	0.552	S	S	*	*			trans	-159.6	95.9	163.7	-90.6	-27.7	0	0	0	109.3	K408 L412	K408-N410 PolarHBondContact O-N 2.85Å; N410-L412 PolarHBondContact O-N 2.82Å
411	G	26.2	Very low	49.3	Very low	75 Å²	75	108.5 Å²	108.5	77%	0.773	58%	0.584	S	S	*	*				93.6	-1.2	128.2	0	0	0	0	0	121.9	G413	G411-G413 VanDerWaalsContact C-N 3.3Å; G411-G413 PolarHBondContact O-N 2.87Å; G411-G413 VanDerWaalsContact O-N 3.17Å
412	L	30.1	Very low	46	Very low	162 Å²	162	120 Å²	120	85%	0.848	63%	0.627	S	S	*	*			trans	-86.6	78.3	162.3	-81.5	167.2	0	0	0	109.5	N410 V414	N410-L412 PolarHBondContact O-N 2.82Å; L412-V414 PolarHBondContact O-N 2.62Å
413	G	24.6	Very low	42.8	Very low	76 Å²	76	124.2 Å²	124.2	78%	0.784	66%	0.656	S	S	*	*			trans	-66.5	75.6	164.1	0	0	0	0	0	110.5	G411 S415	G411-G413 VanDerWaalsContact C-N 3.3Å; G411-G413 PolarHBondContact O-N 2.87Å; G411-G413 VanDerWaalsContact O-N 3.17Å; G413-S415 PolarHBondContact O-N 3.1Å
414	V	31.5	Very low	39.9	Very low	103 Å²	103	127.1 Å²	127.1	62%	0.624	67%	0.668	S	S	*	*			trans	-73.1	102.7	149.2	-179.4	0	0	0	0	104.4	L412 E416	L412-V414 PolarHBondContact O-N 2.62Å; V414-E416 VanDerWaalsContact C-N 3.33Å; V414-E416 PolarHBondContact O-N 2.8Å
415	S	26.8	Very low	36.9	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	70%	0.701	S	S	*	*			trans	-61.3	96.1	175.5	67.4	0	0	0	0	109.5	G413 R417	G413-S415 PolarHBondContact O-N 3.1Å; S415-R417 PolarHBondContact O-N 2.95Å; S415-R417 VanDerWaalsContact O-N 3.11Å
416	E	29.1	Very low	34.1	Very low	110 Å²	110	139.3 Å²	139.3	51%	0.514	73%	0.732	S	S	.	*			trans	-69.7	97.9	158	-78.8	-173	140.4	0	0	108	R362 V414 R418	R362-E416 WeakPolarHBondContact CD-OE1 3.39Å; R362-E416 IonicContact CZ-OE1 3.35Å; R362-E416 IonicContact NE-OE1 3.73Å; R362-E416 PolarHBondContact NE-OE1 3Å; R362-E416 IonicContact NH1-OE1 3.5Å; R362-E416 PolarHBondContact NH1-OE1 2.91Å; V414-E416 VanDerWaalsContact C-N 3.33Å; V414-E416 PolarHBondContact O-N 2.8Å; E416-R418 PolarHBondContact O-N 2.84Å
417	R	31	Very low	31.6	Very low	236 Å²	236	142.7 Å²	142.7	89%	0.891	76%	0.756	S	S	*	*			trans	-76.2	101.6	152.2	-81.4	-168.4	-171.8	-161.1	4.1	107.7	S415 V419	S415-R417 PolarHBondContact O-N 2.95Å; S415-R417 VanDerWaalsContact O-N 3.11Å; R417-V419 PolarHBondContact O-N 2.95Å
418	R	28.3	Very low	30.5	Very low	225 Å²	225	145 Å²	145	85%	0.849	77%	0.774	S	S	*	*			trans	-32.1	127.4	164.8	-63.3	173.5	-150.3	-174.2	4	112.1	E416	E416-R418 PolarHBondContact O-N 2.84Å
419	V	29.6	Very low	29.6	Very low	135 Å²	135	144 Å²	144	82%	0.818	78%	0.78	S	S	*	*			trans	-119.9	83	149.2	-177.5	0	0	0	0	106.9	R417 L421	R417-V419 PolarHBondContact O-N 2.95Å; V419-L421 PolarHBondContact O-N 3.08Å
420	F	28.6	Very low	29.8	Very low	186 Å²	186	142.5 Å²	142.5	82%	0.816	77%	0.771	S	S	*	*			trans	-70.3	119.4	157.5	-107.7	-91.1	0	0	0	107.5	R422	F420-R422 PolarHBondContact O-N 3.16Å
421	L	26.6	Very low	29.9	Very low	154 Å²	154	141.7 Å²	141.7	81%	0.806	77%	0.772	S	S	*	*			trans	-59.1	115.6	162.6	-77.9	151.7	0	0	0	109.3	V419	V419-L421 PolarHBondContact O-N 3.08Å
422	R	28.3	Very low	30.3	Very low	242 Å²	242	144.7 Å²	144.7	91%	0.913	77%	0.769	S	S	*	*			trans	-179.3	106.9	138	-97.8	163.3	-165.7	-130.5	4.5	111.3	F420	F420-R422 PolarHBondContact O-N 3.16Å
423	S	26.8	Very low	30.8	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	76%	0.764	S	S	*	*			trans	46.8	127.8	130.1	-171.7	0	0	0	0	121.1
424	T	30.9	Very low	31.6	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	77%	0.767	S	S	*	*			trans	91.6	92.8	159.1	74.5	0	0	0	0	120.5
425	H	31.3	Very low	32.9	Very low	187 Å²	187	146.4 Å²	146.4	87%	0.866	77%	0.772	S	S	*	*				22.5	155.7	129.7	-72.2	-41.8	0	0	0	122.2
426	P	32.6	Very low	35.1	Very low	102 Å²	102	143.4 Å²	143.4	66%	0.662	75%	0.746	S	S	*	*				-142.4	161.6	-54.6	37.3	-17.3	0	0	0	114.9
427	S	32.7	Very low	37.5	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	75%	0.753	S	S	*	*			trans	81.1	155.4	139.7	-72.3	0	0	0	0	121.8
428	P	35.3	Very low	40	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	71%	0.712	S	S	*	*				-145.4	-173.9	-58.2	37.3	-16.4	0	0	0	113.4
429	V	30.9	Very low	42.6	Very low	128 Å²	128	124.9 Å²	124.9	78%	0.776	70%	0.697	S	S	*	*			trans	137.7	95.3	149.9	172.9	0	0	0	0	109.9
430	K	35.2	Very low	45.4	Very low	158 Å²	158	123.1 Å²	123.1	69%	0.687	68%	0.683	S	S	*	*				76.3	129.2	90.6	-90.9	-173.2	-177.9	-176.5	0	112.5
431	V	32.1	Very low	48.3	Very low	140 Å²	140	117.8 Å²	117.8	85%	0.848	66%	0.663	S	S	*	*			cis	-162.7	158.7	43.2	177.7	0	0	0	0	112.2
432	L	34.3	Very low	51.4	Low	138 Å²	138	111.8 Å²	111.8	72%	0.723	64%	0.639	S	S	*	*			trans	-84.9	-179.1	-175	-83.7	148.6	0	0	0	117.4
433	P	39.6	Very low	54.5	Low	114 Å²	114	102.4 Å²	102.4	74%	0.74	61%	0.607	S	S	*	*	S	Bend		-139.2	118.7	116.7	34.8	-19.2	0	0	0	116.3
434	D	42.3	Very low	57.7	Low	159 Å²	159	99.3 Å²	99.3	85%	0.85	58%	0.58	S	S	*	*	S	Bend	trans	-158.2	75.5	134.6	-97.5	-14.8	0	0	0	103.5	F436	D434-F436 PolarHBondContact O-N 2.78Å
435	S	59.2	Low	60.5	Low	104 Å²	104	95.3 Å²	95.3	73%	0.727	56%	0.559	S	S	*	*			trans	-91.2	76.4	-147.6	63.8	0	0	0	0	113.5	S437	S435-S437 PolarHBondContact O-N 3.3Å
436	F	72.8	Confident	63.2	Low	42 Å²	42	86.7 Å²	86.7	18%	0.184	52%	0.52	C	S	.	.			trans	-62.4	119.7	144.7	174.6	-89.9	0	0	0	106.9	D434 F444 Y454 P461	D434-F436 PolarHBondContact O-N 2.78Å; F436-F444 HydrophobicContact CE1-CB 4.29Å; F436-F444 HydrophobicContact CE2-CB 3.97Å; F436-F444 HydrophobicContact CZ-CB 3.35Å; F436-F444 HydrophobicContact CZ-CD1 4.5Å; F436-F444 HydrophobicContact CZ-CD2 4.23Å; F436-F444 AromaticContact CZ-CG 3.79Å; F436-F444 HydrophobicContact CZ-CG 3.79Å; F436-Y454 HydrophobicContact CB-CD1 4.4Å; F436-Y454 HydrophobicContact CB-CD2 4.06Å; F436-Y454 HydrophobicContact CB-CE1 3.96Å; F436-Y454 HydrophobicContact CB-CE2 3.58Å; F436-Y454 HydrophobicContact CB-CG 4.43Å; F436-Y454 AromaticContact CD1-CD1 3.66Å; F436-Y454 HydrophobicContact CD1-CD1 3.66Å; F436-Y454 AromaticContact CD1-CD2 3.39Å; F436-Y454 HydrophobicContact CD1-CD2 3.39Å; F436-Y454 HydrophobicContact CD1-CE1 4.09Å; F436-Y454 AromaticContact CD1-CE2 3.85Å; F436-Y454 HydrophobicContact CD1-CE2 3.85Å; F436-Y454 AromaticContact CD1-CG 3.27Å; F436-Y454 HydrophobicContact CD1-CG 3.27Å; F436-Y454 AromaticContact CD2-CD2 3.4Å; F436-Y454 HydrophobicContact CD2-CD2 3.4Å; F436-Y454 VanDerWaalsContact CD2-CD2 3.4Å; F436-Y454 AromaticContact CD2-CE2 3.49Å; F436-Y454 HydrophobicContact CD2-CE2 3.49Å; F436-Y454 VanDerWaalsContact CD2-CE2 3.49Å; F436-Y454 HydrophobicContact CD2-CG 4.19Å; F436-Y454 HydrophobicContact CE1-CD1 4.22Å; F436-Y454 AromaticContact CE1-CD2 3.64Å; F436-Y454 HydrophobicContact CE1-CD2 3.64Å; F436-Y454 HydrophobicContact CE1-CE2 4.5Å; F436-Y454 AromaticContact CE1-CG 3.46Å; F436-Y454 HydrophobicContact CE1-CG 3.46Å; F436-Y454 VanDerWaalsContact CE1-CG 3.46Å; F436-Y454 AromaticContact CE2-CD2 3.64Å; F436-Y454 HydrophobicContact CE2-CD2 3.64Å; F436-Y454 HydrophobicContact CE2-CE2 4.18Å; F436-Y454 HydrophobicContact CE2-CG 4.33Å; F436-Y454 HydrophobicContact CG-CD1 4.1Å; F436-Y454 AromaticContact CG-CD2 3.3Å; F436-Y454 HydrophobicContact CG-CD2 3.3Å; F436-Y454 HydrophobicContact CG-CE1 4.12Å; F436-Y454 AromaticContact CG-CE2 3.32Å; F436-Y454 HydrophobicContact CG-CE2 3.32Å; F436-Y454 AromaticContact CG-CG 3.7Å; F436-Y454 HydrophobicContact CG-CG 3.7Å; F436-Y454 AromaticContact CG-CZ 3.76Å; F436-Y454 AromaticContact CZ-CD2 3.78Å; F436-Y454 HydrophobicContact CZ-CD2 3.78Å; F436-Y454 HydrophobicContact CZ-CG 4.03Å; F436-P461 HydrophobicContact CD1-CB 3.5Å; F436-P461 VanDerWaalsContact CD1-CB 3.5Å; F436-P461 HydrophobicContact CD1-CG 4.22Å; F436-P461 HydrophobicContact CE1-CB 3.92Å; F436-P461 WeakPolarHBondContact O-CG 3.36Å
437	S	79.3	Confident	65.4	Low	94 Å²	94	86.6 Å²	86.6	66%	0.657	52%	0.519	S	S	*	.			trans	-105.2	124.8	177.3	-179.2	0	0	0	0	108.5	S435 P439	S435-S437 PolarHBondContact O-N 3.3Å; S437-P439 WeakPolarHBondContact O-CD 3.48Å
438	C	83.9	Confident	67.5	Low	4 Å²	4	88.9 Å²	88.9	3%	0.027	52%	0.522	C	S	.	.			trans	-60.2	116.7	174.7	-68.1	0	0	0	0	110.6	D440 C456 R459 P461	C438-D440 VanDerWaalsContact C-N 3.25Å; C438-C456 VanDerWaalsContact CA-SG 3.54Å; C438-C456 HydrophobicContact CB-CB 3.61Å; C438-C456 WeakPolarHBondContact CB-SG 3.38Å; C438-C456 WeakPolarHBondContact SG-CB 3.39Å; C438-C456 CovalentContact SG-SG 2.02Å; C438-C456 PolarHBondContact SG-SG 2.91Å; C438-R459 HydrophobicContact CB-CB 4.06Å; C438-P461 WeakPolarHBondContact SG-CA 3.48Å; C438-P461 VanDerWaalsContact SG-CB 3.56Å
439	P	83.3	Confident	69.9	Low	85 Å²	85	85.5 Å²	85.5	55%	0.552	50%	0.498	S	S	*	.	S	Bend	trans	-63	-38.2	171.8	-18.1	31.3	0	0	0	111.1	S437 F444	S437-P439 WeakPolarHBondContact O-CD 3.48Å; P439-F444 HydrophobicContact CB-CE1 3.96Å; P439-F444 HydrophobicContact CB-CZ 4.22Å; P439-F444 HydrophobicContact CG-CD1 3.87Å; P439-F444 HydrophobicContact CG-CE1 3.49Å; P439-F444 VanDerWaalsContact CG-CE1 3.49Å; P439-F444 HydrophobicContact CG-CZ 4.04Å
440	D	88	Confident	72.4	Confident	97 Å²	97	85 Å²	85	52%	0.519	49%	0.491	S	S	.	.	S	Bend	trans	-154.1	-178	176.8	-150.9	-13.7	0	0	0	109.6	C438 F444 C456	C438-D440 VanDerWaalsContact C-N 3.25Å; D440-F444 HydrophobicContact CB-CZ 4.32Å; D440-F444 WeakPolarHBondContact O-CE2 3.36Å; D440-C456 WeakPolarHBondContact O-CB 3.42Å
441	D	88.9	Confident	74.9	Confident	74 Å²	74	82.2 Å²	82.2	40%	0.396	48%	0.48	S	S	.	.	S	Bend	trans	-73.9	141	167.2	-74.7	-0.5	0	0	0	110.7	C456 N458 R459	D441-C456 WeakPolarHBondContact CA-O 3.31Å; D441-N458 VanDerWaalsContact CG-N 3.26Å; D441-N458 WeakPolarHBondContact OD1-CA 3.26Å; D441-N458 PolarHBondContact OD1-N 3.43Å; D441-N458 PolarHBondContact OD2-N 3.11Å; D441-R459 PolarHBondContact OD1-N 3.3Å
442	G	91.4	Very high	77.8	Confident	29 Å²	29	75.6 Å²	75.6	30%	0.299	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.8	-168.5	-175.8	0	0	0	0	0	114.1	F444 C456	G442-F444 WeakPolarHBondContact O-CD2 2.97Å; G442-C456 PolarHBondContact N-O 2.96Å; G442-C456 WeakPolarHBondContact O-CB 3.41Å; G442-C456 PolarHBondContact O-N 3.43Å
443	L	93.6	Very high	80.6	Confident	45 Å²	45	70.2 Å²	70.2	24%	0.236	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.5	-177.2	-52.5	-176	0	0	0	111.6	F453 Y454 N455 F472 K477	L443-F453 HydrophobicContact CB-CD2 4.23Å; L443-F453 HydrophobicContact CD1-CD2 4.37Å; L443-F453 HydrophobicContact CD1-CE2 3.99Å; L443-F453 HydrophobicContact CD2-CD2 3.93Å; L443-F453 HydrophobicContact CD2-CE2 3.66Å; L443-F453 HydrophobicContact CG-CD2 4.4Å; L443-F453 HydrophobicContact CG-CE2 4.29Å; L443-Y454 CarbonylContact C-O 3.39Å; L443-Y454 WeakPolarHBondContact CA-O 3.32Å; L443-N455 HydrophobicContact CD2-CB 3.6Å; L443-N455 VanDerWaalsContact CD2-CG 3.48Å; L443-F472 HydrophobicContact CB-CE2 4.1Å; L443-F472 HydrophobicContact CB-CZ 3.56Å; L443-F472 HydrophobicContact CD1-CE2 4.12Å; L443-F472 HydrophobicContact CD1-CZ 4.36Å; L443-K477 HydrophobicContact CB-CB 4.47Å; L443-K477 HydrophobicContact CB-CD 4.31Å; L443-K477 HydrophobicContact CD1-CB 4.43Å; L443-K477 WeakPolarHBondContact CD1-O 3.34Å; L443-K477 VanDerWaalsContact O-CD 3.31Å; L443-K477 WeakPolarHBondContact O-CD 3.31Å; L443-K477 WeakPolarHBondContact O-CE 3.49Å; L443-K477 PolarHBondContact O-NZ 3.44Å
444	F	93.2	Very high	83.2	Confident	41 Å²	41	66.4 Å²	66.4	18%	0.18	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.5	-177.9	-63.1	-90	0	0	0	110.3	F436 P439 D440 G442 F453 Y454 C456	F436-F444 HydrophobicContact CE1-CB 4.29Å; F436-F444 HydrophobicContact CE2-CB 3.97Å; F436-F444 HydrophobicContact CZ-CB 3.35Å; F436-F444 HydrophobicContact CZ-CD1 4.5Å; F436-F444 HydrophobicContact CZ-CD2 4.23Å; F436-F444 AromaticContact CZ-CG 3.79Å; F436-F444 HydrophobicContact CZ-CG 3.79Å; P439-F444 HydrophobicContact CB-CE1 3.96Å; P439-F444 HydrophobicContact CB-CZ 4.22Å; P439-F444 HydrophobicContact CG-CD1 3.87Å; P439-F444 HydrophobicContact CG-CE1 3.49Å; P439-F444 VanDerWaalsContact CG-CE1 3.49Å; P439-F444 HydrophobicContact CG-CZ 4.04Å; D440-F444 HydrophobicContact CB-CZ 4.32Å; D440-F444 WeakPolarHBondContact O-CE2 3.36Å; G442-F444 WeakPolarHBondContact O-CD2 2.97Å; F444-F453 CarbonylContact O-C 3.43Å; F444-F453 VanDerWaalsContact O-CA 3.29Å; F444-F453 WeakPolarHBondContact O-CA 3.2Å; F444-F453 VanDerWaalsContact O-CB 3.31Å; F444-F453 WeakPolarHBondContact O-CB 3.31Å; F444-Y454 PolarHBondContact N-O 3.23Å; F444-Y454 PolarHBondContact O-N 2.85Å; F444-C456 HydrophobicContact CD2-CB 4.06Å; F444-C456 WeakPolarHBondContact CD2-SG 3.43Å; F444-C456 HydrophobicContact CE2-CB 3.88Å
445	A	90.4	Very high	85.6	Confident	40 Å²	40	61.9 Å²	61.9	33%	0.331	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143	177	0	0	0	0	0	110.5	P447 F472	A445-P447 WeakPolarHBondContact O-CD 3.39Å; A445-F472 HydrophobicContact CB-CD1 3.97Å; A445-F472 HydrophobicContact CB-CE1 4.35Å
446	N	88.8	Confident	87.1	Confident	5 Å²	5	57 Å²	57	3%	0.027	32%	0.324	C	S	.	.			trans	-81.7	116.8	170.4	-178.7	3.8	0	0	0	109.1	L448 D449 S452 Y454 K463	N446-L448 PolarHBondContact O-N 3.34Å; N446-L448 PolarHBondContact OD1-N 2.94Å; N446-L448 VanDerWaalsContact OD1-N 3.17Å; N446-D449 PolarHBondContact O-N 3.33Å; N446-S452 WeakPolarHBondContact CB-O 3.39Å; N446-S452 WeakPolarHBondContact CB-OG 3.19Å; N446-S452 PolarHBondContact N-O 3.35Å; N446-S452 PolarHBondContact ND2-OG 2.85Å; N446-Y454 HydrophobicContact CB-CD2 4.11Å; N446-Y454 HydrophobicContact CB-CE2 3.69Å; N446-Y454 WeakPolarHBondContact OD1-CE2 3.46Å; N446-Y454 PolarHBondContact OD1-OH 3.19Å; N446-K463 WeakPolarHBondContact ND2-CE 3.34Å; N446-K463 PolarHBondContact ND2-NZ 3.13Å
447	P	78.4	Confident	87.8	Confident	101 Å²	101	58.2 Å²	58.2	66%	0.656	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.1	-177.7	28.6	-35.7	0	0	0	114.2	A445	A445-P447 WeakPolarHBondContact O-CD 3.39Å
448	L	77.2	Confident	88.1	Confident	156 Å²	156	59.6 Å²	59.6	82%	0.817	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-5.5	-178.4	-59.5	176.7	0	0	0	113.7	N446	N446-L448 PolarHBondContact O-N 3.34Å; N446-L448 PolarHBondContact OD1-N 2.94Å; N446-L448 VanDerWaalsContact OD1-N 3.17Å
449	D	84.3	Confident	88	Confident	42 Å²	42	66.8 Å²	66.8	23%	0.225	36%	0.364	C	S	.	.			trans	-166.3	98.8	-171.4	170.2	10.9	0	0	0	110.7	N446 H451 S452 K463	N446-D449 PolarHBondContact O-N 3.33Å; D449-H451 PolarHBondContact O-N 3.21Å; D449-H451 VanDerWaalsContact O-N 3.12Å; D449-H451 WeakPolarHBondContact OD1-CB 3.29Å; D449-H451 PolarHBondContact OD1-N 2.97Å; D449-H451 VanDerWaalsContact OD1-N 3.12Å; D449-S452 VanDerWaalsContact CB-OG 3.31Å; D449-S452 WeakPolarHBondContact CB-OG 3.22Å; D449-S452 PolarHBondContact O-N 2.89Å; D449-S452 VanDerWaalsContact O-O 3.12Å; D449-S452 PolarHBondContact O-OG 2.8Å; D449-S452 WeakPolarHBondContact OD2-CB 3.28Å; D449-S452 PolarHBondContact OD2-OG 3.5Å; D449-K463 IonicContact OD2-NZ 3.13Å; D449-K463 PolarHBondContact OD2-NZ 2.96Å
450	D	84	Confident	87.8	Confident	117 Å²	117	67.2 Å²	67.2	63%	0.626	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.3	-177.8	-66.8	-10.4	0	0	0	114	S471 F472	D450-S471 CarbonylContact O-C 3.54Å; D450-S471 WeakPolarHBondContact O-CA 3.49Å; D450-F472 PolarHBondContact O-N 2.93Å
451	H	88.7	Confident	87.8	Confident	100 Å²	100	64.5 Å²	64.5	46%	0.463	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	14.1	172.8	-58.4	-64.4	0	0	0	112.1	D449 Y465 C466 T470 S471	D449-H451 PolarHBondContact O-N 3.21Å; D449-H451 VanDerWaalsContact O-N 3.12Å; D449-H451 WeakPolarHBondContact OD1-CB 3.29Å; D449-H451 PolarHBondContact OD1-N 2.97Å; D449-H451 VanDerWaalsContact OD1-N 3.12Å; H451-Y465 WeakPolarHBondContact O-CA 3.15Å; H451-C466 PolarHBondContact O-N 2.92Å; H451-T470 PolarHBondContact ND1-O 2.9Å; H451-S471 PolarHBondContact CE1-OG 3.43Å
452	S	91.5	Very high	87.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.8	179.2	73.6	0	0	0	0	112.6	N446 D449 K463 K464	N446-S452 WeakPolarHBondContact CB-O 3.39Å; N446-S452 WeakPolarHBondContact CB-OG 3.19Å; N446-S452 PolarHBondContact N-O 3.35Å; N446-S452 PolarHBondContact ND2-OG 2.85Å; D449-S452 VanDerWaalsContact CB-OG 3.31Å; D449-S452 WeakPolarHBondContact CB-OG 3.22Å; D449-S452 PolarHBondContact O-N 2.89Å; D449-S452 VanDerWaalsContact O-O 3.12Å; D449-S452 PolarHBondContact O-OG 2.8Å; D449-S452 WeakPolarHBondContact OD2-CB 3.28Å; D449-S452 PolarHBondContact OD2-OG 3.5Å; S452-K463 WeakPolarHBondContact OG-CE 3.5Å; S452-K464 CarbonylContact C-O 3.47Å; S452-K464 WeakPolarHBondContact CA-O 3.4Å; S452-K464 WeakPolarHBondContact CB-O 3.38Å
453	F	94.1	Very high	87.8	Confident	26 Å²	26	66.4 Å²	66.4	11%	0.114	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.5	179.9	63.1	-82.6	0	0	0	110.4	L443 F444 N455 K463 K464 F472 C479	L443-F453 HydrophobicContact CB-CD2 4.23Å; L443-F453 HydrophobicContact CD1-CD2 4.37Å; L443-F453 HydrophobicContact CD1-CE2 3.99Å; L443-F453 HydrophobicContact CD2-CD2 3.93Å; L443-F453 HydrophobicContact CD2-CE2 3.66Å; L443-F453 HydrophobicContact CG-CD2 4.4Å; L443-F453 HydrophobicContact CG-CE2 4.29Å; F444-F453 CarbonylContact O-C 3.43Å; F444-F453 VanDerWaalsContact O-CA 3.29Å; F444-F453 WeakPolarHBondContact O-CA 3.2Å; F444-F453 VanDerWaalsContact O-CB 3.31Å; F444-F453 WeakPolarHBondContact O-CB 3.31Å; F453-N455 HydrophobicContact CE2-CB 4.48Å; F453-K463 CarbonylContact O-C 3.57Å; F453-K463 WeakPolarHBondContact O-CA 3.41Å; F453-K464 HydrophobicContact CD1-CB 4.07Å; F453-K464 HydrophobicContact CD2-CB 4.05Å; F453-K464 HydrophobicContact CE1-CB 3.63Å; F453-K464 HydrophobicContact CE2-CB 3.62Å; F453-K464 HydrophobicContact CE2-CG 3.99Å; F453-K464 HydrophobicContact CG-CB 4.26Å; F453-K464 HydrophobicContact CZ-CB 3.4Å; F453-K464 HydrophobicContact CZ-CG 4.08Å; F453-K464 PolarHBondContact N-O 3.02Å; F453-K464 PolarHBondContact O-N 3.04Å; F453-F472 HydrophobicContact CB-CB 4.03Å; F453-F472 HydrophobicContact CB-CD1 3.56Å; F453-F472 HydrophobicContact CB-CD2 3.45Å; F453-F472 VanDerWaalsContact CB-CD2 3.45Å; F453-F472 HydrophobicContact CB-CE1 3.79Å; F453-F472 HydrophobicContact CB-CE2 3.69Å; F453-F472 HydrophobicContact CB-CG 3.38Å; F453-F472 HydrophobicContact CB-CZ 3.86Å; F453-F472 HydrophobicContact CD1-CB 4.26Å; F453-F472 AromaticContact CD1-CD2 3.34Å; F453-F472 HydrophobicContact CD1-CD2 3.34Å; F453-F472 AromaticContact CD1-CE2 3.86Å; F453-F472 HydrophobicContact CD1-CE2 3.86Å; F453-F472 AromaticContact CD1-CG 3.94Å; F453-F472 HydrophobicContact CD1-CG 3.94Å; F453-F472 HydrophobicContact CD2-CD2 4.02Å; F453-F472 AromaticContact CD2-CE2 3.66Å; F453-F472 HydrophobicContact CD2-CE2 3.66Å; F453-F472 HydrophobicContact CD2-CZ 4.15Å; F453-F472 HydrophobicContact CE1-CD2 4.03Å; F453-F472 HydrophobicContact CE1-CE2 4.38Å; F453-F472 HydrophobicContact CE2-CE2 4.2Å; F453-F472 HydrophobicContact CG-CD1 4.37Å; F453-F472 AromaticContact CG-CD2 3.33Å; F453-F472 HydrophobicContact CG-CD2 3.33Å; F453-F472 HydrophobicContact CG-CE1 4.47Å; F453-F472 AromaticContact CG-CE2 3.46Å; F453-F472 HydrophobicContact CG-CE2 3.46Å; F453-F472 VanDerWaalsContact CG-CE2 3.46Å; F453-F472 AromaticContact CG-CG 3.83Å; F453-F472 HydrophobicContact CG-CG 3.83Å; F453-F472 HydrophobicContact CG-CZ 4.06Å; F453-C479 VanDerWaalsContact CE1-SG 3.57Å
454	Y	93.8	Very high	87.7	Confident	33 Å²	33	68.9 Å²	68.9	13%	0.129	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.2	172.2	-64.7	-78.8	0	0	0	109.7	F436 L443 F444 N446 P461 K463	F436-Y454 HydrophobicContact CB-CD1 4.4Å; F436-Y454 HydrophobicContact CB-CD2 4.06Å; F436-Y454 HydrophobicContact CB-CE1 3.96Å; F436-Y454 HydrophobicContact CB-CE2 3.58Å; F436-Y454 HydrophobicContact CB-CG 4.43Å; F436-Y454 AromaticContact CD1-CD1 3.66Å; F436-Y454 HydrophobicContact CD1-CD1 3.66Å; F436-Y454 AromaticContact CD1-CD2 3.39Å; F436-Y454 HydrophobicContact CD1-CD2 3.39Å; F436-Y454 HydrophobicContact CD1-CE1 4.09Å; F436-Y454 AromaticContact CD1-CE2 3.85Å; F436-Y454 HydrophobicContact CD1-CE2 3.85Å; F436-Y454 AromaticContact CD1-CG 3.27Å; F436-Y454 HydrophobicContact CD1-CG 3.27Å; F436-Y454 AromaticContact CD2-CD2 3.4Å; F436-Y454 HydrophobicContact CD2-CD2 3.4Å; F436-Y454 VanDerWaalsContact CD2-CD2 3.4Å; F436-Y454 AromaticContact CD2-CE2 3.49Å; F436-Y454 HydrophobicContact CD2-CE2 3.49Å; F436-Y454 VanDerWaalsContact CD2-CE2 3.49Å; F436-Y454 HydrophobicContact CD2-CG 4.19Å; F436-Y454 HydrophobicContact CE1-CD1 4.22Å; F436-Y454 AromaticContact CE1-CD2 3.64Å; F436-Y454 HydrophobicContact CE1-CD2 3.64Å; F436-Y454 HydrophobicContact CE1-CE2 4.5Å; F436-Y454 AromaticContact CE1-CG 3.46Å; F436-Y454 HydrophobicContact CE1-CG 3.46Å; F436-Y454 VanDerWaalsContact CE1-CG 3.46Å; F436-Y454 AromaticContact CE2-CD2 3.64Å; F436-Y454 HydrophobicContact CE2-CD2 3.64Å; F436-Y454 HydrophobicContact CE2-CE2 4.18Å; F436-Y454 HydrophobicContact CE2-CG 4.33Å; F436-Y454 HydrophobicContact CG-CD1 4.1Å; F436-Y454 AromaticContact CG-CD2 3.3Å; F436-Y454 HydrophobicContact CG-CD2 3.3Å; F436-Y454 HydrophobicContact CG-CE1 4.12Å; F436-Y454 AromaticContact CG-CE2 3.32Å; F436-Y454 HydrophobicContact CG-CE2 3.32Å; F436-Y454 AromaticContact CG-CG 3.7Å; F436-Y454 HydrophobicContact CG-CG 3.7Å; F436-Y454 AromaticContact CG-CZ 3.76Å; F436-Y454 AromaticContact CZ-CD2 3.78Å; F436-Y454 HydrophobicContact CZ-CD2 3.78Å; F436-Y454 HydrophobicContact CZ-CG 4.03Å; L443-Y454 CarbonylContact C-O 3.39Å; L443-Y454 WeakPolarHBondContact CA-O 3.32Å; F444-Y454 PolarHBondContact N-O 3.23Å; F444-Y454 PolarHBondContact O-N 2.85Å; N446-Y454 HydrophobicContact CB-CD2 4.11Å; N446-Y454 HydrophobicContact CB-CE2 3.69Å; N446-Y454 WeakPolarHBondContact OD1-CE2 3.46Å; N446-Y454 PolarHBondContact OD1-OH 3.19Å; Y454-P461 HydrophobicContact CD1-CB 3.83Å; Y454-P461 HydrophobicContact CG-CB 4.34Å; Y454-K463 HydrophobicContact CD1-CB 4.17Å; Y454-K463 HydrophobicContact CE1-CB 3.98Å; Y454-K463 HydrophobicContact CE1-CG 4.42Å
455	N	93.6	Very high	87.7	Confident	64 Å²	64	74.4 Å²	74.4	34%	0.342	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.9	165.1	-174.7	-8.1	0	0	0	108.6	L443 F453 V462 K464	L443-N455 HydrophobicContact CD2-CB 3.6Å; L443-N455 VanDerWaalsContact CD2-CG 3.48Å; F453-N455 HydrophobicContact CE2-CB 4.48Å; N455-V462 PolarHBondContact N-O 2.7Å; N455-V462 WeakPolarHBondContact O-CB 3.16Å; N455-V462 PolarHBondContact O-N 3.26Å; N455-K464 HydrophobicContact CB-CG 4.01Å
456	C	89.5	Confident	87.7	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.02	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.2	-178.4	-72.4	0	0	0	0	111.2	C438 D440 D441 G442 F444 I460	C438-C456 VanDerWaalsContact CA-SG 3.54Å; C438-C456 HydrophobicContact CB-CB 3.61Å; C438-C456 WeakPolarHBondContact CB-SG 3.38Å; C438-C456 WeakPolarHBondContact SG-CB 3.39Å; C438-C456 CovalentContact SG-SG 2.02Å; C438-C456 PolarHBondContact SG-SG 2.91Å; D440-C456 WeakPolarHBondContact O-CB 3.42Å; D441-C456 WeakPolarHBondContact CA-O 3.31Å; G442-C456 PolarHBondContact N-O 2.96Å; G442-C456 WeakPolarHBondContact O-CB 3.41Å; G442-C456 PolarHBondContact O-N 3.43Å; F444-C456 HydrophobicContact CD2-CB 4.06Å; F444-C456 WeakPolarHBondContact CD2-SG 3.43Å; F444-C456 HydrophobicContact CE2-CB 3.88Å; C456-I460 WeakPolarHBondContact CA-O 3.27Å
457	S	87.3	Confident	87.5	Confident	67 Å²	67	80.9 Å²	80.9	47%	0.469	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130	170.2	-179.7	0	0	0	0	109.8	R459 I460	S457-R459 PolarHBondContact O-N 3.34Å; S457-I460 PolarHBondContact N-O 2.91Å; S457-I460 VanDerWaalsContact N-O 3.16Å; S457-I460 WeakPolarHBondContact O-CB 3.43Å; S457-I460 PolarHBondContact O-N 3.04Å
458	N	86.7	Confident	87.4	Confident	123 Å²	123	84.6 Å²	84.6	66%	0.658	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.5	-169.2	-63.1	-62.2	0	0	0	113.2	D441 I460	D441-N458 VanDerWaalsContact CG-N 3.26Å; D441-N458 WeakPolarHBondContact OD1-CA 3.26Å; D441-N458 PolarHBondContact OD1-N 3.43Å; D441-N458 PolarHBondContact OD2-N 3.11Å; N458-I460 PolarHBondContact O-N 3.34Å
459	R	80.3	Confident	87.2	Confident	155 Å²	155	79.4 Å²	79.4	59%	0.585	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	24.2	-172.9	-55.1	-177.2	177.7	-149.8	-3.6	114.6	C438 D441 S457	C438-R459 HydrophobicContact CB-CB 4.06Å; D441-R459 PolarHBondContact OD1-N 3.3Å; S457-R459 PolarHBondContact O-N 3.34Å
460	I	79	Confident	87.3	Confident	93 Å²	93	78.2 Å²	78.2	48%	0.477	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.3	174.2	-58.7	173.3	0	0	0	107.5	C456 S457 N458	C456-I460 WeakPolarHBondContact CA-O 3.27Å; S457-I460 PolarHBondContact N-O 2.91Å; S457-I460 VanDerWaalsContact N-O 3.16Å; S457-I460 WeakPolarHBondContact O-CB 3.43Å; S457-I460 PolarHBondContact O-N 3.04Å; N458-I460 PolarHBondContact O-N 3.34Å
461	P	89.3	Confident	87.4	Confident	41 Å²	41	74.2 Å²	74.2	27%	0.266	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.8	-179	31.8	-36	0	0	0	111.1	F436 C438 Y454	F436-P461 HydrophobicContact CD1-CB 3.5Å; F436-P461 VanDerWaalsContact CD1-CB 3.5Å; F436-P461 HydrophobicContact CD1-CG 4.22Å; F436-P461 HydrophobicContact CE1-CB 3.92Å; F436-P461 WeakPolarHBondContact O-CG 3.36Å; C438-P461 WeakPolarHBondContact SG-CA 3.48Å; C438-P461 VanDerWaalsContact SG-CB 3.56Å; Y454-P461 HydrophobicContact CD1-CB 3.83Å; Y454-P461 HydrophobicContact CG-CB 4.34Å
462	V	88.4	Confident	87.5	Confident	69 Å²	69	70.4 Å²	70.4	42%	0.418	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	111.4	170	-178.2	0	0	0	0	108.4	N455 K464	N455-V462 PolarHBondContact N-O 2.7Å; N455-V462 WeakPolarHBondContact O-CB 3.16Å; N455-V462 PolarHBondContact O-N 3.26Å; V462-K464 PolarHBondContact O-N 3.44Å
463	K	92.3	Very high	87.2	Confident	74 Å²	74	71.5 Å²	71.5	32%	0.322	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.2	175.3	-171	178.2	179.3	179.9	0	110	N446 D449 S452 F453 Y454 Y465	N446-K463 WeakPolarHBondContact ND2-CE 3.34Å; N446-K463 PolarHBondContact ND2-NZ 3.13Å; D449-K463 IonicContact OD2-NZ 3.13Å; D449-K463 PolarHBondContact OD2-NZ 2.96Å; S452-K463 WeakPolarHBondContact OG-CE 3.5Å; F453-K463 CarbonylContact O-C 3.57Å; F453-K463 WeakPolarHBondContact O-CA 3.41Å; Y454-K463 HydrophobicContact CD1-CB 4.17Å; Y454-K463 HydrophobicContact CE1-CB 3.98Å; Y454-K463 HydrophobicContact CE1-CG 4.42Å; K463-Y465 HydrophobicContact CD-CE2 4.32Å; K463-Y465 VanDerWaalsContact CE-CZ 3.46Å; K463-Y465 WeakPolarHBondContact CE-OH 3.46Å; K463-Y465 HydrophobicContact CG-CE2 4.44Å; K463-Y465 PolarHBondContact NZ-OH 3.05Å
464	K	91.8	Very high	86.6	Confident	96 Å²	96	73.9 Å²	73.9	42%	0.417	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.8	175.3	-65.7	-64	-175.4	179.4	0	108.5	S452 F453 N455 V462	S452-K464 CarbonylContact C-O 3.47Å; S452-K464 WeakPolarHBondContact CA-O 3.4Å; S452-K464 WeakPolarHBondContact CB-O 3.38Å; F453-K464 HydrophobicContact CD1-CB 4.07Å; F453-K464 HydrophobicContact CD2-CB 4.05Å; F453-K464 HydrophobicContact CE1-CB 3.63Å; F453-K464 HydrophobicContact CE2-CB 3.62Å; F453-K464 HydrophobicContact CE2-CG 3.99Å; F453-K464 HydrophobicContact CG-CB 4.26Å; F453-K464 HydrophobicContact CZ-CB 3.4Å; F453-K464 HydrophobicContact CZ-CG 4.08Å; F453-K464 PolarHBondContact N-O 3.02Å; F453-K464 PolarHBondContact O-N 3.04Å; N455-K464 HydrophobicContact CB-CG 4.01Å; V462-K464 PolarHBondContact O-N 3.44Å
465	Y	92.4	Very high	86.1	Confident	157 Å²	157	80.2 Å²	80.2	62%	0.616	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.9	-179.8	-67.8	-89.6	0	0	0	109.8	H451 K463	H451-Y465 WeakPolarHBondContact O-CA 3.15Å; K463-Y465 HydrophobicContact CD-CE2 4.32Å; K463-Y465 VanDerWaalsContact CE-CZ 3.46Å; K463-Y465 WeakPolarHBondContact CE-OH 3.46Å; K463-Y465 HydrophobicContact CG-CE2 4.44Å; K463-Y465 PolarHBondContact NZ-OH 3.05Å
466	C	89.5	Confident	85.6	Confident	19 Å²	19	82.1 Å²	82.1	13%	0.128	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-74.3	158.7	170.5	-73.3	0	0	0	0	111.4	H451 T470 C479	H451-C466 PolarHBondContact O-N 2.92Å; C466-T470 WeakPolarHBondContact CB-O 3.38Å; C466-T470 WeakPolarHBondContact CB-OG1 3.3Å; C466-C479 WeakPolarHBondContact CA-SG 3.45Å; C466-C479 HydrophobicContact CB-CB 3.62Å; C466-C479 WeakPolarHBondContact CB-SG 2.96Å; C466-C479 WeakPolarHBondContact SG-CB 3.49Å; C466-C479 CovalentContact SG-SG 2.04Å; C466-C479 PolarHBondContact SG-SG 3.31Å
467	E	85.2	Confident	85.6	Confident	163 Å²	163	86.6 Å²	86.6	76%	0.762	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-66.8	151.7	174.5	-65.5	-178.5	177.5	0	0	110.4	G469 T470	E467-G469 PolarHBondContact O-N 3.36Å; E467-G469 VanDerWaalsContact O-N 3.15Å; E467-T470 PolarHBondContact N-OG1 3.27Å; E467-T470 PolarHBondContact O-N 3.46Å; E467-T470 PolarHBondContact O-OG1 2.9Å
468	N	75.5	Confident	85.8	Confident	179 Å²	179	88 Å²	88	96%	0.957	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	119.3	-170.7	-149.4	16.8	0	0	0	111.5
469	G	73.4	Confident	86	Confident	46 Å²	46	84 Å²	84	47%	0.474	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	10	-176.8	0	0	0	0	0	116.1	E467	E467-G469 PolarHBondContact O-N 3.36Å; E467-G469 VanDerWaalsContact O-N 3.15Å
470	T	86.8	Confident	86.1	Confident	17 Å²	17	78.4 Å²	78.4	10%	0.104	42%	0.416	C	S	.	.			trans	-115.2	153.4	172.5	61.8	0	0	0	0	111.5	H451 C466 E467 S480 Q481	H451-T470 PolarHBondContact ND1-O 2.9Å; C466-T470 WeakPolarHBondContact CB-O 3.38Å; C466-T470 WeakPolarHBondContact CB-OG1 3.3Å; E467-T470 PolarHBondContact N-OG1 3.27Å; E467-T470 PolarHBondContact O-N 3.46Å; E467-T470 PolarHBondContact O-OG1 2.9Å; T470-S480 WeakPolarHBondContact CA-O 3.4Å; T470-S480 WeakPolarHBondContact CB-O 3.29Å; T470-Q481 HydrophobicContact CG2-CG 4.46Å
471	S	85.3	Confident	85.8	Confident	34 Å²	34	80.5 Å²	80.5	24%	0.238	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.1	176.9	-58.7	0	0	0	0	110	D450 H451 S473 S480	D450-S471 CarbonylContact O-C 3.54Å; D450-S471 WeakPolarHBondContact O-CA 3.49Å; H451-S471 PolarHBondContact CE1-OG 3.43Å; S471-S473 PolarHBondContact O-N 3.23Å; S471-S480 PolarHBondContact N-O 3.01Å; S471-S480 PolarHBondContact O-N 2.86Å
472	F	91.2	Very high	84.3	Confident	19 Å²	19	83.1 Å²	83.1	8%	0.083	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.7	-178.2	-175.2	-99	0	0	0	111.2	L443 A445 D450 F453 K477	L443-F472 HydrophobicContact CB-CE2 4.1Å; L443-F472 HydrophobicContact CB-CZ 3.56Å; L443-F472 HydrophobicContact CD1-CE2 4.12Å; L443-F472 HydrophobicContact CD1-CZ 4.36Å; A445-F472 HydrophobicContact CB-CD1 3.97Å; A445-F472 HydrophobicContact CB-CE1 4.35Å; D450-F472 PolarHBondContact O-N 2.93Å; F453-F472 HydrophobicContact CB-CB 4.03Å; F453-F472 HydrophobicContact CB-CD1 3.56Å; F453-F472 HydrophobicContact CB-CD2 3.45Å; F453-F472 VanDerWaalsContact CB-CD2 3.45Å; F453-F472 HydrophobicContact CB-CE1 3.79Å; F453-F472 HydrophobicContact CB-CE2 3.69Å; F453-F472 HydrophobicContact CB-CG 3.38Å; F453-F472 HydrophobicContact CB-CZ 3.86Å; F453-F472 HydrophobicContact CD1-CB 4.26Å; F453-F472 AromaticContact CD1-CD2 3.34Å; F453-F472 HydrophobicContact CD1-CD2 3.34Å; F453-F472 AromaticContact CD1-CE2 3.86Å; F453-F472 HydrophobicContact CD1-CE2 3.86Å; F453-F472 AromaticContact CD1-CG 3.94Å; F453-F472 HydrophobicContact CD1-CG 3.94Å; F453-F472 HydrophobicContact CD2-CD2 4.02Å; F453-F472 AromaticContact CD2-CE2 3.66Å; F453-F472 HydrophobicContact CD2-CE2 3.66Å; F453-F472 HydrophobicContact CD2-CZ 4.15Å; F453-F472 HydrophobicContact CE1-CD2 4.03Å; F453-F472 HydrophobicContact CE1-CE2 4.38Å; F453-F472 HydrophobicContact CE2-CE2 4.2Å; F453-F472 HydrophobicContact CG-CD1 4.37Å; F453-F472 AromaticContact CG-CD2 3.33Å; F453-F472 HydrophobicContact CG-CD2 3.33Å; F453-F472 HydrophobicContact CG-CE1 4.47Å; F453-F472 AromaticContact CG-CE2 3.46Å; F453-F472 HydrophobicContact CG-CE2 3.46Å; F453-F472 VanDerWaalsContact CG-CE2 3.46Å; F453-F472 AromaticContact CG-CG 3.83Å; F453-F472 HydrophobicContact CG-CG 3.83Å; F453-F472 HydrophobicContact CG-CZ 4.06Å; F472-K477 HydrophobicContact CZ-CD 4.38Å
473	S	85.9	Confident	82.4	Confident	24 Å²	24	84.8 Å²	84.8	17%	0.168	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.5	173.3	175	0	0	0	0	110.8	S471 E475 N476 K477 I478	S471-S473 PolarHBondContact O-N 3.23Å; S473-E475 PolarHBondContact O-N 3.03Å; S473-E475 PolarHBondContact OG-N 3.28Å; S473-N476 PolarHBondContact OG-N 2.91Å; S473-N476 VanDerWaalsContact OG-N 3.09Å; S473-K477 WeakPolarHBondContact O-CA 3.5Å; S473-K477 PolarHBondContact O-N 3.36Å; S473-I478 PolarHBondContact N-O 3.04Å
474	S	81.8	Confident	79.7	Confident	75 Å²	75	89.6 Å²	89.6	52%	0.524	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.5	173.4	53.3	0	0	0	0	113.4	K477	S474-K477 WeakPolarHBondContact O-CD 3.39Å; S474-K477 VanDerWaalsContact O-CE 3.32Å; S474-K477 WeakPolarHBondContact O-CE 3.49Å; S474-K477 PolarHBondContact O-NZ 3.11Å
475	E	82.7	Confident	77	Confident	166 Å²	166	90.9 Å²	90.9	78%	0.776	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-50	179.6	-174.1	174.1	-166.2	0	0	111.3	S473	S473-E475 PolarHBondContact O-N 3.03Å; S473-E475 PolarHBondContact OG-N 3.28Å
476	N	83.5	Confident	74	Confident	104 Å²	104	89.8 Å²	89.8	56%	0.556	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.4	-174.7	-64.1	-42.7	0	0	0	114	S473 I478	S473-N476 PolarHBondContact OG-N 2.91Å; S473-N476 VanDerWaalsContact OG-N 3.09Å; N476-I478 HydrophobicContact CB-CG2 3.64Å; N476-I478 PolarHBondContact O-N 3.31Å
477	K	90.1	Very high	71	Confident	97 Å²	97	97.1 Å²	97.1	42%	0.422	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.7	-177.8	-54.2	-58.2	-172.5	-176.7	0	113.1	L443 F472 S473 S474	L443-K477 HydrophobicContact CB-CB 4.47Å; L443-K477 HydrophobicContact CB-CD 4.31Å; L443-K477 HydrophobicContact CD1-CB 4.43Å; L443-K477 WeakPolarHBondContact CD1-O 3.34Å; L443-K477 VanDerWaalsContact O-CD 3.31Å; L443-K477 WeakPolarHBondContact O-CD 3.31Å; L443-K477 WeakPolarHBondContact O-CE 3.49Å; L443-K477 PolarHBondContact O-NZ 3.44Å; F472-K477 HydrophobicContact CZ-CD 4.38Å; S473-K477 WeakPolarHBondContact O-CA 3.5Å; S473-K477 PolarHBondContact O-N 3.36Å; S474-K477 WeakPolarHBondContact O-CD 3.39Å; S474-K477 VanDerWaalsContact O-CE 3.32Å; S474-K477 WeakPolarHBondContact O-CE 3.49Å; S474-K477 PolarHBondContact O-NZ 3.11Å
478	I	90.9	Very high	68.4	Low	97 Å²	97	99.9 Å²	99.9	50%	0.497	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.5	-175.4	-165.4	169.7	0	0	0	110	S473 N476 S480	S473-I478 PolarHBondContact N-O 3.04Å; N476-I478 HydrophobicContact CB-CG2 3.64Å; N476-I478 PolarHBondContact O-N 3.31Å; I478-S480 PolarHBondContact O-N 3.32Å
479	C	90.4	Very high	66.2	Low	38 Å²	38	97.3 Å²	97.3	26%	0.257	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.7	164.3	-63.9	0	0	0	0	108.4	F453 C466	F453-C479 VanDerWaalsContact CE1-SG 3.57Å; C466-C479 WeakPolarHBondContact CA-SG 3.45Å; C466-C479 HydrophobicContact CB-CB 3.62Å; C466-C479 WeakPolarHBondContact CB-SG 2.96Å; C466-C479 WeakPolarHBondContact SG-CB 3.49Å; C466-C479 CovalentContact SG-SG 2.04Å; C466-C479 PolarHBondContact SG-SG 3.31Å
480	S	82.5	Confident	64	Low	39 Å²	39	105.3 Å²	105.3	27%	0.273	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	156.1	178.5	56.5	0	0	0	0	110.2	T470 S471 I478	T470-S480 WeakPolarHBondContact CA-O 3.4Å; T470-S480 WeakPolarHBondContact CB-O 3.29Å; S471-S480 PolarHBondContact N-O 3.01Å; S471-S480 PolarHBondContact O-N 2.86Å; I478-S480 PolarHBondContact O-N 3.32Å
481	Q	73.6	Confident	61.4	Low	136 Å²	136	112.7 Å²	112.7	64%	0.636	60%	0.6	S	S	*	*			trans	-52.7	142.3	159.7	-74.2	-94.6	-41.7	0	0	108.3	T470 S483	T470-Q481 HydrophobicContact CG2-CG 4.46Å; Q481-S483 PolarHBondContact O-N 3.28Å
482	P	57.8	Low	58.8	Low	97 Å²	97	120.7 Å²	120.7	63%	0.63	63%	0.631	S	S	*	*			trans	-55.9	109.7	173.5	2.8	-1.8	0	0	0	108.4	Q484	P482-Q484 PolarHBondContact O-N 3.2Å
483	S	48.5	Very low	56	Low	103 Å²	103	125.3 Å²	125.3	72%	0.72	66%	0.663	S	S	*	*			trans	-66.4	122.5	178.6	48.7	0	0	0	0	108.3	Q481	Q481-S483 PolarHBondContact O-N 3.28Å
484	Q	36	Very low	53.6	Low	176 Å²	176	132.3 Å²	132.3	82%	0.822	69%	0.693	S	S	*	*			trans	-44.4	139.4	169.9	-76.1	-179.5	-33.5	0	0	110.3	P482 T486	P482-Q484 PolarHBondContact O-N 3.2Å; Q484-T486 PolarHBondContact O-N 3.2Å
485	P	33.4	Very low	51.2	Low	123 Å²	123	134 Å²	134	80%	0.799	70%	0.696	S	S	*	*			trans	-61.5	117.5	177.3	-4.1	15.2	0	0	0	108.7	L487	P485-L487 PolarHBondContact O-N 2.88Å
486	T	29.6	Very low	48.7	Very low	134 Å²	134	136.6 Å²	136.6	82%	0.822	70%	0.699	S	S	*	*			trans	-61.7	106.7	168.8	44.4	0	0	0	0	108.8	Q484 R488	Q484-T486 PolarHBondContact O-N 3.2Å; T486-R488 PolarHBondContact O-N 3.29Å; T486-R488 VanDerWaalsContact O-N 3.15Å
487	L	27.3	Very low	46.1	Very low	172 Å²	172	136 Å²	136	90%	0.901	70%	0.703	S	S	*	*			trans	-54.1	112.5	168.7	-83.8	152.3	0	0	0	109.7	P485	P485-L487 PolarHBondContact O-N 2.88Å
488	R	29.8	Very low	43.2	Very low	221 Å²	221	140 Å²	140	83%	0.834	73%	0.725	S	S	*	*			trans	-72.7	140.5	161.3	-71.3	-170	-167.7	-150.6	3.9	108.7	T486 F490	T486-R488 PolarHBondContact O-N 3.29Å; T486-R488 VanDerWaalsContact O-N 3.15Å; R488-F490 PolarHBondContact O-N 2.98Å
489	P	29.4	Very low	40.5	Very low	125 Å²	125	142.5 Å²	142.5	81%	0.812	75%	0.745	S	S	*	*			trans	-74.2	114.2	-169.5	29.8	-32.8	0	0	0	110.1
490	F	28.5	Very low	37.7	Very low	214 Å²	214	144.9 Å²	144.9	94%	0.939	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-87.8	127.6	163.4	-106.1	-89.5	0	0	0	110	R488	R488-F490 PolarHBondContact O-N 2.98Å
491	L	31.5	Very low	35.4	Very low	172 Å²	172	147 Å²	147	90%	0.901	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.5	147.6	178	-78.8	139	0	0	0	112.2
492	K	29.6	Very low	33.6	Very low	202 Å²	202	146.8 Å²	146.8	88%	0.878	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-52.1	156.2	-168.5	-77.3	179.9	174.5	178.7	0	116.9
493	P	33.8	Very low	32.5	Very low	117 Å²	117	145.9 Å²	145.9	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.4	149.9	178.4	36.7	-32.3	0	0	0	112.2
494	Q	34.2	Very low	31.9	Very low	171 Å²	171	151.2 Å²	151.2	80%	0.799	80%	0.796	S	S	*	*			trans	-146.9	126.9	154.2	-90.8	-167.4	-7.3	0	0	110.3
495	N	32.3	Very low	31.7	Very low	111 Å²	111	146 Å²	146	59%	0.594	79%	0.79	S	S	*	*				100.4	111.6	125.4	-86.5	6.5	0	0	0	121.9
496	W	29.6	Very low	31.8	Very low	219 Å²	219	146.9 Å²	146.9	83%	0.83	79%	0.793	S	S	*	*			trans	66.1	142.6	144.8	-51	106.2	0	0	0	118.3
497	S	30.2	Very low	31.8	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	79%	0.792	S	S	*	*			cis	-178.3	134.4	-8.6	44.8	0	0	0	0	107.7
498	M	28.1	Very low	32.2	Very low	179 Å²	179	147.2 Å²	147.2	88%	0.882	78%	0.784	S	S	*	*			trans	29	117.8	136.6	-162.2	-178.9	-99.4	0	0	119.6
499	V	34.1	Very low	32.2	Very low	150 Å²	150	145.9 Å²	145.9	91%	0.909	79%	0.79	S	S	*	*			trans	-142.5	132.9	132.9	-175.8	0	0	0	0	109.3
500	S	32.8	Very low	32.3	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	78%	0.783	S	S	*	*			trans	-94.6	171.3	-172	63.1	0	0	0	0	114.8
501	S	34.5	Very low	32.6	Very low	84 Å²	84	139.9 Å²	139.9	59%	0.587	78%	0.777	S	S	*	*			trans	79.2	109	133.1	69.3	0	0	0	0	118.2
502	T	34.4	Very low	32.4	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	77%	0.772	S	S	*	*				97.1	121.8	94.5	52	0	0	0	0	111.7
503	A	34.4	Very low	32.4	Very low	77 Å²	77	139.9 Å²	139.9	64%	0.636	77%	0.77	S	S	*	*				159.3	154.1	106.9	0	0	0	0	0	111.9
504	F	36.9	Very low	32.2	Very low	215 Å²	215	140.6 Å²	140.6	94%	0.943	77%	0.772	S	S	*	*			trans	78.4	123	169.1	-62.7	-84.3	0	0	0	116.6
505	G	31.7	Very low	31.9	Very low	67 Å²	67	138.7 Å²	138.7	69%	0.691	78%	0.776	S	S	*	*			cis	137.1	98.2	12.4	0	0	0	0	0	109.6
506	V	34.4	Very low	31.8	Very low	142 Å²	142	141.2 Å²	141.2	86%	0.861	79%	0.789	S	S	*	*			trans	27.3	115	145.3	-162.9	0	0	0	0	118.5
507	L	29.6	Very low	31.8	Very low	154 Å²	154	135.6 Å²	135.6	81%	0.806	78%	0.783	S	S	*	*			trans	-158.4	138.7	136.8	-140.8	78	0	0	0	110.9
508	E	36.3	Very low	31.7	Very low	158 Å²	158	142 Å²	142	74%	0.738	79%	0.794	S	S	*	*			trans	97.3	62.7	158	-52	-112.5	149.5	0	0	118.8
509	M	30.8	Very low	31.8	Very low	194 Å²	194	137.6 Å²	137.6	96%	0.956	79%	0.786	S	S	*	*			trans	-91.9	103.6	135.8	-81.5	-111.3	-75.1	0	0	107.9
510	A	30.8	Very low	31.9	Very low	79 Å²	79	138.9 Å²	138.9	65%	0.653	78%	0.782	S	S	*	*			trans	163.7	89.9	151.1	0	0	0	0	0	112.7
511	V	34.8	Very low	32.7	Very low	134 Å²	134	141.5 Å²	141.5	81%	0.812	79%	0.789	S	S	*	*			trans	-133.9	87.6	150.5	178.5	0	0	0	0	105
512	F	27.6	Very low	33.9	Very low	182 Å²	182	144 Å²	144	80%	0.798	80%	0.795	S	S	*	*				105.8	101.1	79.7	-113.7	-96.6	0	0	0	109.5	V514	F512-V514 PolarHBondContact O-N 3.42Å
513	F	29.3	Very low	36	Very low	191 Å²	191	139.8 Å²	139.8	84%	0.838	77%	0.765	S	S	*	*			trans	-36.6	128.8	147.2	-90	-113	0	0	0	110.2
514	V	30.2	Very low	38.2	Very low	132 Å²	132	143 Å²	143	80%	0.8	77%	0.771	S	S	*	*			trans	163.3	93.5	143.4	163.4	0	0	0	0	108.7	F512	F512-V514 PolarHBondContact O-N 3.42Å
515	C	28	Very low	40.4	Very low	131 Å²	131	133.8 Å²	133.8	89%	0.885	73%	0.733	S	S	*	*			trans	-174.9	73	133.9	-95.5	0	0	0	0	108.4
516	L	30.4	Very low	42.7	Very low	165 Å²	165	135 Å²	135	86%	0.864	73%	0.729	S	S	*	*			trans	-75.9	114.4	158.3	-90	156.4	0	0	0	107.8
517	S	29.1	Very low	45.2	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	71%	0.71	S	S	*	*			trans	168.2	136.1	131.3	45.3	0	0	0	0	108.6
518	Y	28	Very low	47.7	Very low	228 Å²	228	128.7 Å²	128.7	89%	0.894	70%	0.696	S	S	*	*	S	Bend	trans	82.8	81.8	-178.4	-57.3	-84.6	0	0	0	116.9
519	A	30	Very low	50.1	Low	86 Å²	86	122.6 Å²	122.6	71%	0.711	68%	0.675	S	S	*	*				179.2	109.3	124.3	0	0	0	0	0	109.2
520	E	35.7	Very low	53	Low	177 Å²	177	116.7 Å²	116.7	83%	0.827	65%	0.647	S	S	*	*			trans	-68.1	141.2	175.1	-64.4	173.9	153.3	0	0	111
521	N	50.8	Low	55.9	Low	144 Å²	144	114.9 Å²	114.9	77%	0.77	63%	0.625	S	S	*	*			trans	50.3	63.1	155.7	-57.6	-24.2	0	0	0	118.7
522	I	57.7	Low	58.5	Low	136 Å²	136	110.6 Å²	110.6	70%	0.697	60%	0.599	S	S	*	*			trans	-91.5	108.8	166.2	-60.1	173.1	0	0	0	109.5
523	F	79.6	Confident	61.4	Low	43 Å²	43	102.4 Å²	102.4	19%	0.189	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-73.6	126.5	168.8	-179.8	-88.6	0	0	0	110.3	F531 P534 Y541 A548	F523-F531 HydrophobicContact CE1-CB 4.25Å; F523-F531 HydrophobicContact CE2-CB 4.44Å; F523-F531 HydrophobicContact CZ-CB 3.56Å; F523-F531 HydrophobicContact CZ-CD2 4.48Å; F523-F531 HydrophobicContact CZ-CG 4.05Å; F523-P534 HydrophobicContact CD2-CG 4.36Å; F523-Y541 HydrophobicContact CB-CD1 3.92Å; F523-Y541 HydrophobicContact CB-CD2 3.91Å; F523-Y541 HydrophobicContact CB-CE1 3.51Å; F523-Y541 HydrophobicContact CB-CE2 3.55Å; F523-Y541 HydrophobicContact CB-CG 4.09Å; F523-Y541 AromaticContact CD1-CD1 3.72Å; F523-Y541 HydrophobicContact CD1-CD1 3.72Å; F523-Y541 AromaticContact CD1-CD2 3.65Å; F523-Y541 HydrophobicContact CD1-CD2 3.65Å; F523-Y541 HydrophobicContact CD1-CE1 4.23Å; F523-Y541 HydrophobicContact CD1-CE2 4.22Å; F523-Y541 AromaticContact CD1-CG 3.38Å; F523-Y541 HydrophobicContact CD1-CG 3.38Å; F523-Y541 AromaticContact CD2-CD2 3.37Å; F523-Y541 HydrophobicContact CD2-CD2 3.37Å; F523-Y541 AromaticContact CD2-CE2 3.51Å; F523-Y541 HydrophobicContact CD2-CE2 3.51Å; F523-Y541 HydrophobicContact CD2-CG 4.03Å; F523-Y541 HydrophobicContact CE1-CD1 4.42Å; F523-Y541 AromaticContact CE1-CD2 3.96Å; F523-Y541 HydrophobicContact CE1-CD2 3.96Å; F523-Y541 AromaticContact CE1-CG 3.7Å; F523-Y541 HydrophobicContact CE1-CG 3.7Å; F523-Y541 AromaticContact CE2-CD2 3.7Å; F523-Y541 HydrophobicContact CE2-CD2 3.7Å; F523-Y541 HydrophobicContact CE2-CE2 4.25Å; F523-Y541 HydrophobicContact CE2-CG 4.31Å; F523-Y541 AromaticContact CG-CD1 3.88Å; F523-Y541 HydrophobicContact CG-CD1 3.88Å; F523-Y541 AromaticContact CG-CD2 3.35Å; F523-Y541 HydrophobicContact CG-CD2 3.35Å; F523-Y541 AromaticContact CG-CE1 3.96Å; F523-Y541 HydrophobicContact CG-CE1 3.96Å; F523-Y541 AromaticContact CG-CE2 3.49Å; F523-Y541 HydrophobicContact CG-CE2 3.49Å; F523-Y541 VanDerWaalsContact CG-CE2 3.49Å; F523-Y541 AromaticContact CG-CG 3.56Å; F523-Y541 HydrophobicContact CG-CG 3.56Å; F523-Y541 AromaticContact CG-CZ 3.79Å; F523-Y541 AromaticContact CZ-CD2 3.99Å; F523-Y541 HydrophobicContact CZ-CD2 3.99Å; F523-Y541 HydrophobicContact CZ-CG 4.17Å; F523-A548 HydrophobicContact CB-CB 4.45Å; F523-A548 HydrophobicContact CD1-CB 3.69Å; F523-A548 WeakPolarHBondContact O-CB 3.46Å
524	L	81.4	Confident	63.8	Low	146 Å²	146	97 Å²	97	76%	0.764	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-95.5	126.8	174.2	-82.9	125.8	0	0	0	110.2	P526	L524-P526 VanDerWaalsContact O-CD 3.27Å; L524-P526 WeakPolarHBondContact O-CD 3.36Å
525	C	83	Confident	66.1	Low	21 Å²	21	93.5 Å²	93.5	14%	0.142	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-65.9	120.6	176.4	-72.1	0	0	0	0	111.6	S527 C543 R547 A548	C525-S527 VanDerWaalsContact C-N 3.3Å; C525-C543 WeakPolarHBondContact CA-SG 3.43Å; C525-C543 HydrophobicContact CB-CB 3.54Å; C525-C543 WeakPolarHBondContact CB-SG 3.44Å; C525-C543 WeakPolarHBondContact SG-CA 3.33Å; C525-C543 WeakPolarHBondContact SG-CB 3.2Å; C525-C543 CovalentContact SG-SG 2.03Å; C525-C543 PolarHBondContact SG-SG 3.12Å; C525-R547 PolarHBondContact SG-O 3.49Å; C525-R547 VanDerWaalsContact SG-O 3.37Å; C525-A548 WeakPolarHBondContact SG-CA 3.18Å; C525-A548 VanDerWaalsContact SG-CB 3.58Å; C525-A548 PolarHBondContact SG-N 2.85Å; C525-A548 VanDerWaalsContact SG-N 3.42Å
526	P	79.3	Confident	68.8	Low	92 Å²	92	89.8 Å²	89.8	60%	0.597	51%	0.506	S	S	*	.	S	Bend	trans	-68.7	-31.5	174.7	-19.2	32.8	0	0	0	112.8	L524 F531	L524-P526 VanDerWaalsContact O-CD 3.27Å; L524-P526 WeakPolarHBondContact O-CD 3.36Å; P526-F531 HydrophobicContact CB-CE1 3.91Å; P526-F531 HydrophobicContact CB-CZ 4.05Å; P526-F531 HydrophobicContact CG-CD1 3.86Å; P526-F531 HydrophobicContact CG-CE1 3.6Å; P526-F531 HydrophobicContact CG-CG 4.42Å; P526-F531 HydrophobicContact CG-CZ 3.97Å
527	S	86.3	Confident	71.6	Confident	66 Å²	66	83.1 Å²	83.1	46%	0.462	47%	0.473	S	S	.	.	S	Bend	trans	-167.8	177.1	175.1	54.6	0	0	0	0	108.4	C525 G529 F531 C543	C525-S527 VanDerWaalsContact C-N 3.3Å; S527-G529 PolarHBondContact O-N 3.44Å; S527-F531 WeakPolarHBondContact O-CE2 3.25Å; S527-C543 WeakPolarHBondContact O-CB 3.47Å
528	D	82.1	Confident	74.5	Confident	98 Å²	98	81.7 Å²	81.7	52%	0.524	46%	0.458	S	S	.	.	S	Bend	trans	-62.2	130.1	165.8	-70.8	-12.3	0	0	0	109.6	C543 A544 F545	D528-C543 WeakPolarHBondContact CA-O 3.34Å; D528-A544 VanDerWaalsContact OD1-CA 3.29Å; D528-A544 WeakPolarHBondContact OD1-CA 3.18Å; D528-F545 PolarHBondContact OD1-N 3.07Å
529	G	87.7	Confident	77.5	Confident	29 Å²	29	71.1 Å²	71.1	30%	0.299	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-175.2	-175	0	0	0	0	0	114.6	S527 C543	S527-G529 PolarHBondContact O-N 3.44Å; G529-C543 PolarHBondContact N-O 3.47Å; G529-C543 WeakPolarHBondContact O-CB 3.47Å; G529-C543 PolarHBondContact O-N 3.49Å
530	I	91.4	Very high	80.5	Confident	70 Å²	70	68.3 Å²	68.3	36%	0.359	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.4	174.6	-52.1	-65.6	0	0	0	108.4	F540 Y541 F559	I530-F540 HydrophobicContact CD1-CE2 4.3Å; I530-F540 HydrophobicContact CG2-CB 4.42Å; I530-F540 HydrophobicContact CG2-CD2 3.37Å; I530-F540 HydrophobicContact CG2-CE2 3.82Å; I530-F540 HydrophobicContact CG2-CG 4.14Å; I530-Y541 CarbonylContact C-O 3.48Å; I530-Y541 WeakPolarHBondContact CA-O 3.45Å; I530-F559 HydrophobicContact CB-CZ 4.47Å; I530-F559 HydrophobicContact CG2-CE2 3.56Å; I530-F559 HydrophobicContact CG2-CZ 3.46Å; I530-F559 VanDerWaalsContact CG2-CZ 3.46Å
531	F	90.8	Very high	83.2	Confident	42 Å²	42	61 Å²	61	18%	0.184	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.2	-176.6	-60.7	-87.6	0	0	0	110.6	F523 P526 S527 F540 Y541 C543	F523-F531 HydrophobicContact CE1-CB 4.25Å; F523-F531 HydrophobicContact CE2-CB 4.44Å; F523-F531 HydrophobicContact CZ-CB 3.56Å; F523-F531 HydrophobicContact CZ-CD2 4.48Å; F523-F531 HydrophobicContact CZ-CG 4.05Å; P526-F531 HydrophobicContact CB-CE1 3.91Å; P526-F531 HydrophobicContact CB-CZ 4.05Å; P526-F531 HydrophobicContact CG-CD1 3.86Å; P526-F531 HydrophobicContact CG-CE1 3.6Å; P526-F531 HydrophobicContact CG-CG 4.42Å; P526-F531 HydrophobicContact CG-CZ 3.97Å; S527-F531 WeakPolarHBondContact O-CE2 3.25Å; F531-F540 CarbonylContact O-C 3.53Å; F531-F540 VanDerWaalsContact O-CA 3.31Å; F531-F540 WeakPolarHBondContact O-CA 3.33Å; F531-F540 VanDerWaalsContact O-CB 3.31Å; F531-F540 WeakPolarHBondContact O-CB 3.49Å; F531-Y541 PolarHBondContact N-O 2.9Å; F531-Y541 PolarHBondContact O-N 3.41Å; F531-C543 HydrophobicContact CD2-CB 4Å; F531-C543 HydrophobicContact CE2-CB 3.8Å
532	P	90	Very high	85.1	Confident	43 Å²	43	55.9 Å²	55.9	28%	0.279	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	144.5	174.6	23.7	-31.3	0	0	0	111.4	P534 F559 P561 Y583	P532-P534 WeakPolarHBondContact O-CD 3.35Å; P532-F559 HydrophobicContact CB-CD1 3.85Å; P532-F559 HydrophobicContact CB-CE1 4.02Å; P532-P561 HydrophobicContact CG-CB 4.49Å; P532-Y583 HydrophobicContact CB-CD2 3.96Å; P532-Y583 HydrophobicContact CB-CE2 3.45Å; P532-Y583 VanDerWaalsContact CB-CE2 3.45Å; P532-Y583 HydrophobicContact CG-CD2 4.47Å; P532-Y583 HydrophobicContact CG-CE2 4.41Å
533	D	88.4	Confident	86.5	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.053	30%	0.297	C	S	.	.			trans	-72.2	124.5	168.5	-171.2	-26.2	0	0	0	108.6	A535 S539 Y541 L550	D533-A535 PolarHBondContact O-N 3.49Å; D533-A535 VanDerWaalsContact OD1-CB 3.3Å; D533-A535 WeakPolarHBondContact OD1-CB 3.44Å; D533-A535 PolarHBondContact OD1-N 2.8Å; D533-S539 WeakPolarHBondContact CB-O 3.44Å; D533-S539 WeakPolarHBondContact CB-OG 3.38Å; D533-S539 VanDerWaalsContact CG-OG 3.25Å; D533-S539 PolarHBondContact N-O 2.87Å; D533-S539 PolarHBondContact OD2-OG 2.84Å; D533-Y541 HydrophobicContact CB-CD2 4.28Å; D533-Y541 HydrophobicContact CB-CE2 3.99Å; D533-L550 HydrophobicContact CB-CD1 4.4Å; D533-L550 WeakPolarHBondContact OD2-CD1 3.41Å
534	P	80.1	Confident	86.5	Confident	77 Å²	77	49 Å²	49	50%	0.5	30%	0.3	S	S	.	.	S	Bend	trans	-65.6	-17.6	175.7	27.1	-35.5	0	0	0	113.9	F523 P532 G580 A581	F523-P534 HydrophobicContact CD2-CG 4.36Å; P532-P534 WeakPolarHBondContact O-CD 3.35Å; P534-G580 WeakPolarHBondContact O-CA 3.01Å; P534-A581 PolarHBondContact O-N 3.33Å
535	A	77.5	Confident	86.1	Confident	59 Å²	59	50.3 Å²	50.3	49%	0.488	30%	0.3	S	S	.	.	S	Bend	trans	-91.1	-35	-176.9	0	0	0	0	0	113.4	D533	D533-A535 PolarHBondContact O-N 3.49Å; D533-A535 VanDerWaalsContact OD1-CB 3.3Å; D533-A535 WeakPolarHBondContact OD1-CB 3.44Å; D533-A535 PolarHBondContact OD1-N 2.8Å
536	T	85.3	Confident	85.2	Confident	54 Å²	54	56.1 Å²	56.1	33%	0.331	33%	0.33	S	S	.	.			trans	-141.6	148.3	-176.9	82.5	0	0	0	0	114	D538 S539	T536-D538 VanDerWaalsContact C-N 3.31Å; T536-D538 WeakPolarHBondContact CB-OD1 3.42Å; T536-D538 PolarHBondContact OG1-OD1 3.36Å; T536-S539 WeakPolarHBondContact OG1-CB 3.35Å; T536-S539 PolarHBondContact OG1-OG 3.34Å
537	C	89.1	Confident	84.9	Confident	24 Å²	24	60 Å²	60	16%	0.162	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-19.2	179.4	-56.2	0	0	0	0	113.3	L558 F559 C574 Y583	C537-L558 HydrophobicContact CB-CD1 4.16Å; C537-L558 HydrophobicContact CB-CD2 3.74Å; C537-L558 HydrophobicContact CB-CG 4.36Å; C537-L558 CarbonylContact O-C 3.54Å; C537-L558 WeakPolarHBondContact O-CA 3.41Å; C537-L558 WeakPolarHBondContact O-CB 3.23Å; C537-F559 PolarHBondContact O-N 3.43Å; C537-C574 HydrophobicContact CB-CB 3.75Å; C537-C574 WeakPolarHBondContact CB-SG 3.36Å; C537-C574 WeakPolarHBondContact SG-CB 3.4Å; C537-C574 CovalentContact SG-SG 2.01Å; C537-C574 PolarHBondContact SG-SG 2.86Å; C537-Y583 WeakPolarHBondContact CA-OH 3.3Å; C537-Y583 PolarHBondContact O-OH 2.8Å
538	D	91.4	Very high	84.8	Confident	71 Å²	71	58.6 Å²	58.6	38%	0.38	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	13	-176.9	66.8	-22.7	0	0	0	112.2	T536 T552 C553 L558	T536-D538 VanDerWaalsContact C-N 3.31Å; T536-D538 WeakPolarHBondContact CB-OD1 3.42Å; T536-D538 PolarHBondContact OG1-OD1 3.36Å; D538-T552 CarbonylContact O-C 3.51Å; D538-T552 WeakPolarHBondContact O-CA 3.46Å; D538-T552 WeakPolarHBondContact O-CG2 3.39Å; D538-C553 WeakPolarHBondContact O-CB 3.32Å; D538-C553 PolarHBondContact O-N 3.1Å; D538-L558 HydrophobicContact CB-CD2 4.23Å
539	S	89.9	Confident	85	Confident	5 Å²	5	59.4 Å²	59.4	4%	0.035	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.7	178.9	70.3	0	0	0	0	113.2	D533 T536 M551	D533-S539 WeakPolarHBondContact CB-O 3.44Å; D533-S539 WeakPolarHBondContact CB-OG 3.38Å; D533-S539 VanDerWaalsContact CG-OG 3.25Å; D533-S539 PolarHBondContact N-O 2.87Å; D533-S539 PolarHBondContact OD2-OG 2.84Å; T536-S539 WeakPolarHBondContact OG1-CB 3.35Å; T536-S539 PolarHBondContact OG1-OG 3.34Å; S539-M551 CarbonylContact C-O 3.49Å; S539-M551 WeakPolarHBondContact CA-O 3.38Å; S539-M551 WeakPolarHBondContact CB-O 3.31Å
540	F	93.6	Very high	85.2	Confident	27 Å²	27	62.7 Å²	62.7	12%	0.118	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.7	-178	65.6	-90.8	0	0	0	110.7	I530 F531 M551 F559	I530-F540 HydrophobicContact CD1-CE2 4.3Å; I530-F540 HydrophobicContact CG2-CB 4.42Å; I530-F540 HydrophobicContact CG2-CD2 3.37Å; I530-F540 HydrophobicContact CG2-CE2 3.82Å; I530-F540 HydrophobicContact CG2-CG 4.14Å; F531-F540 CarbonylContact O-C 3.53Å; F531-F540 VanDerWaalsContact O-CA 3.31Å; F531-F540 WeakPolarHBondContact O-CA 3.33Å; F531-F540 VanDerWaalsContact O-CB 3.31Å; F531-F540 WeakPolarHBondContact O-CB 3.49Å; F540-M551 HydrophobicContact CD1-CB 4Å; F540-M551 HydrophobicContact CD2-CB 3.78Å; F540-M551 HydrophobicContact CD2-CG 4.12Å; F540-M551 HydrophobicContact CE1-CB 3.64Å; F540-M551 HydrophobicContact CE2-CB 3.44Å; F540-M551 VanDerWaalsContact CE2-CB 3.44Å; F540-M551 HydrophobicContact CE2-CG 3.61Å; F540-M551 HydrophobicContact CG-CB 4.08Å; F540-M551 HydrophobicContact CZ-CB 3.37Å; F540-M551 HydrophobicContact CZ-CG 3.9Å; F540-M551 PolarHBondContact N-O 2.98Å; F540-M551 WeakPolarHBondContact O-CA 3.17Å; F540-M551 WeakPolarHBondContact O-CB 3.29Å; F540-M551 PolarHBondContact O-N 3.34Å; F540-F559 HydrophobicContact CB-CB 4.26Å; F540-F559 HydrophobicContact CB-CD1 3.96Å; F540-F559 HydrophobicContact CB-CD2 3.5Å; F540-F559 HydrophobicContact CB-CE1 4.17Å; F540-F559 HydrophobicContact CB-CE2 3.74Å; F540-F559 HydrophobicContact CB-CG 3.62Å; F540-F559 HydrophobicContact CB-CZ 4.08Å; F540-F559 HydrophobicContact CD1-CB 4.37Å; F540-F559 AromaticContact CD1-CD2 3.39Å; F540-F559 HydrophobicContact CD1-CD2 3.39Å; F540-F559 AromaticContact CD1-CE2 3.96Å; F540-F559 HydrophobicContact CD1-CE2 3.96Å; F540-F559 HydrophobicContact CD1-CG 4.09Å; F540-F559 HydrophobicContact CD2-CD2 4.35Å; F540-F559 HydrophobicContact CD2-CE2 4.1Å; F540-F559 HydrophobicContact CE1-CD2 4.16Å; F540-F559 AromaticContact CG-CD2 3.49Å; F540-F559 HydrophobicContact CG-CD2 3.49Å; F540-F559 VanDerWaalsContact CG-CD2 3.49Å; F540-F559 AromaticContact CG-CE2 3.67Å; F540-F559 HydrophobicContact CG-CE2 3.67Å; F540-F559 HydrophobicContact CG-CG 4.12Å; F540-F559 HydrophobicContact CG-CZ 4.42Å
541	Y	91.8	Very high	85.2	Confident	25 Å²	25	63.4 Å²	63.4	10%	0.098	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.4	172.3	-71.6	-82.6	0	0	0	111.1	F523 I530 F531 D533 A548 Y549 L550	F523-Y541 HydrophobicContact CB-CD1 3.92Å; F523-Y541 HydrophobicContact CB-CD2 3.91Å; F523-Y541 HydrophobicContact CB-CE1 3.51Å; F523-Y541 HydrophobicContact CB-CE2 3.55Å; F523-Y541 HydrophobicContact CB-CG 4.09Å; F523-Y541 AromaticContact CD1-CD1 3.72Å; F523-Y541 HydrophobicContact CD1-CD1 3.72Å; F523-Y541 AromaticContact CD1-CD2 3.65Å; F523-Y541 HydrophobicContact CD1-CD2 3.65Å; F523-Y541 HydrophobicContact CD1-CE1 4.23Å; F523-Y541 HydrophobicContact CD1-CE2 4.22Å; F523-Y541 AromaticContact CD1-CG 3.38Å; F523-Y541 HydrophobicContact CD1-CG 3.38Å; F523-Y541 AromaticContact CD2-CD2 3.37Å; F523-Y541 HydrophobicContact CD2-CD2 3.37Å; F523-Y541 AromaticContact CD2-CE2 3.51Å; F523-Y541 HydrophobicContact CD2-CE2 3.51Å; F523-Y541 HydrophobicContact CD2-CG 4.03Å; F523-Y541 HydrophobicContact CE1-CD1 4.42Å; F523-Y541 AromaticContact CE1-CD2 3.96Å; F523-Y541 HydrophobicContact CE1-CD2 3.96Å; F523-Y541 AromaticContact CE1-CG 3.7Å; F523-Y541 HydrophobicContact CE1-CG 3.7Å; F523-Y541 AromaticContact CE2-CD2 3.7Å; F523-Y541 HydrophobicContact CE2-CD2 3.7Å; F523-Y541 HydrophobicContact CE2-CE2 4.25Å; F523-Y541 HydrophobicContact CE2-CG 4.31Å; F523-Y541 AromaticContact CG-CD1 3.88Å; F523-Y541 HydrophobicContact CG-CD1 3.88Å; F523-Y541 AromaticContact CG-CD2 3.35Å; F523-Y541 HydrophobicContact CG-CD2 3.35Å; F523-Y541 AromaticContact CG-CE1 3.96Å; F523-Y541 HydrophobicContact CG-CE1 3.96Å; F523-Y541 AromaticContact CG-CE2 3.49Å; F523-Y541 HydrophobicContact CG-CE2 3.49Å; F523-Y541 VanDerWaalsContact CG-CE2 3.49Å; F523-Y541 AromaticContact CG-CG 3.56Å; F523-Y541 HydrophobicContact CG-CG 3.56Å; F523-Y541 AromaticContact CG-CZ 3.79Å; F523-Y541 AromaticContact CZ-CD2 3.99Å; F523-Y541 HydrophobicContact CZ-CD2 3.99Å; F523-Y541 HydrophobicContact CZ-CG 4.17Å; I530-Y541 CarbonylContact C-O 3.48Å; I530-Y541 WeakPolarHBondContact CA-O 3.45Å; F531-Y541 PolarHBondContact N-O 2.9Å; F531-Y541 PolarHBondContact O-N 3.41Å; D533-Y541 HydrophobicContact CB-CD2 4.28Å; D533-Y541 HydrophobicContact CB-CE2 3.99Å; Y541-A548 HydrophobicContact CD1-CB 3.74Å; Y541-A548 HydrophobicContact CE1-CB 4.28Å; Y541-Y549 CarbonylContact C-O 3.55Å; Y541-Y549 WeakPolarHBondContact CA-O 3.46Å; Y541-L550 HydrophobicContact CD1-CB 4.24Å; Y541-L550 HydrophobicContact CD1-CD1 4.48Å; Y541-L550 HydrophobicContact CE1-CB 3.84Å; Y541-L550 HydrophobicContact CE1-CD1 4.06Å; Y541-L550 HydrophobicContact CE2-CD1 4.13Å
542	S	91.6	Very high	85.2	Confident	35 Å²	35	66.3 Å²	66.3	25%	0.245	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.6	161.3	-178.2	0	0	0	0	108	Y549	S542-Y549 PolarHBondContact N-O 3.5Å; S542-Y549 WeakPolarHBondContact O-CB 3.35Å; S542-Y549 VanDerWaalsContact O-CD2 3.26Å; S542-Y549 WeakPolarHBondContact O-CD2 3.2Å; S542-Y549 PolarHBondContact O-N 3.23Å
543	C	87.1	Confident	85.3	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.034	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.7	-179.4	-79.2	0	0	0	0	111	C525 S527 D528 G529 F531 R547	C525-C543 WeakPolarHBondContact CA-SG 3.43Å; C525-C543 HydrophobicContact CB-CB 3.54Å; C525-C543 WeakPolarHBondContact CB-SG 3.44Å; C525-C543 WeakPolarHBondContact SG-CA 3.33Å; C525-C543 WeakPolarHBondContact SG-CB 3.2Å; C525-C543 CovalentContact SG-SG 2.03Å; C525-C543 PolarHBondContact SG-SG 3.12Å; S527-C543 WeakPolarHBondContact O-CB 3.47Å; D528-C543 WeakPolarHBondContact CA-O 3.34Å; G529-C543 PolarHBondContact N-O 3.47Å; G529-C543 WeakPolarHBondContact O-CB 3.47Å; G529-C543 PolarHBondContact O-N 3.49Å; F531-C543 HydrophobicContact CD2-CB 4Å; F531-C543 HydrophobicContact CE2-CB 3.8Å; C543-R547 WeakPolarHBondContact CA-O 3.31Å
544	A	78.1	Confident	85.1	Confident	30 Å²	30	68.7 Å²	68.7	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	128.3	173.8	0	0	0	0	0	110.5	D528 D546 R547 Y549	D528-A544 VanDerWaalsContact OD1-CA 3.29Å; D528-A544 WeakPolarHBondContact OD1-CA 3.18Å; A544-D546 PolarHBondContact O-N 2.89Å; A544-R547 PolarHBondContact N-O 3.49Å; A544-R547 PolarHBondContact O-N 3.49Å; A544-R547 VanDerWaalsContact O-N 3.16Å; A544-Y549 HydrophobicContact CB-CE2 4.44Å
545	F	74.5	Confident	85.1	Confident	173 Å²	173	70.4 Å²	70.4	76%	0.759	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	50.7	178.6	-51.2	-78.7	0	0	0	112.4	D528 R547	D528-F545 PolarHBondContact OD1-N 3.07Å; F545-R547 PolarHBondContact O-N 3.16Å; F545-R547 VanDerWaalsContact O-N 3.08Å
546	D	64	Low	85.3	Confident	144 Å²	144	70.7 Å²	70.7	77%	0.77	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	14.6	-178.6	-56.3	-45.9	0	0	0	115.2	A544	A544-D546 PolarHBondContact O-N 2.89Å
547	R	71.7	Confident	85.5	Confident	172 Å²	172	69.4 Å²	69.4	65%	0.649	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.3	174.7	-66.9	-174.2	179.9	-164.6	-2	112	C525 C543 A544 F545 Y549	C525-R547 PolarHBondContact SG-O 3.49Å; C525-R547 VanDerWaalsContact SG-O 3.37Å; C543-R547 WeakPolarHBondContact CA-O 3.31Å; A544-R547 PolarHBondContact N-O 3.49Å; A544-R547 PolarHBondContact O-N 3.49Å; A544-R547 VanDerWaalsContact O-N 3.16Å; F545-R547 PolarHBondContact O-N 3.16Å; F545-R547 VanDerWaalsContact O-N 3.08Å; R547-Y549 HydrophobicContact CB-CE2 3.96Å
548	A	84.7	Confident	85.7	Confident	37 Å²	37	70.1 Å²	70.1	31%	0.306	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.9	176.2	0	0	0	0	0	111.1	F523 C525 Y541	F523-A548 HydrophobicContact CB-CB 4.45Å; F523-A548 HydrophobicContact CD1-CB 3.69Å; F523-A548 WeakPolarHBondContact O-CB 3.46Å; C525-A548 WeakPolarHBondContact SG-CA 3.18Å; C525-A548 VanDerWaalsContact SG-CB 3.58Å; C525-A548 PolarHBondContact SG-N 2.85Å; C525-A548 VanDerWaalsContact SG-N 3.42Å; Y541-A548 HydrophobicContact CD1-CB 3.74Å; Y541-A548 HydrophobicContact CE1-CB 4.28Å
549	Y	87	Confident	85.8	Confident	116 Å²	116	66.9 Å²	66.9	46%	0.455	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.3	174.4	-57.5	-86.8	0	0	0	109	Y541 S542 A544 R547	Y541-Y549 CarbonylContact C-O 3.55Å; Y541-Y549 WeakPolarHBondContact CA-O 3.46Å; S542-Y549 PolarHBondContact N-O 3.5Å; S542-Y549 WeakPolarHBondContact O-CB 3.35Å; S542-Y549 VanDerWaalsContact O-CD2 3.26Å; S542-Y549 WeakPolarHBondContact O-CD2 3.2Å; S542-Y549 PolarHBondContact O-N 3.23Å; A544-Y549 HydrophobicContact CB-CE2 4.44Å; R547-Y549 HydrophobicContact CB-CE2 3.96Å
550	L	91.9	Very high	85.8	Confident	97 Å²	97	67.1 Å²	67.1	51%	0.508	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.5	175.8	-179.4	62	0	0	0	110.6	D533 Y541	D533-L550 HydrophobicContact CB-CD1 4.4Å; D533-L550 WeakPolarHBondContact OD2-CD1 3.41Å; Y541-L550 HydrophobicContact CD1-CB 4.24Å; Y541-L550 HydrophobicContact CD1-CD1 4.48Å; Y541-L550 HydrophobicContact CE1-CB 3.84Å; Y541-L550 HydrophobicContact CE1-CD1 4.06Å; Y541-L550 HydrophobicContact CE2-CD1 4.13Å
551	M	90.6	Very high	85.4	Confident	86 Å²	86	68.6 Å²	68.6	42%	0.424	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	-179	-58.8	-69	-78.5	0	0	109.6	S539 F540	S539-M551 CarbonylContact C-O 3.49Å; S539-M551 WeakPolarHBondContact CA-O 3.38Å; S539-M551 WeakPolarHBondContact CB-O 3.31Å; F540-M551 HydrophobicContact CD1-CB 4Å; F540-M551 HydrophobicContact CD2-CB 3.78Å; F540-M551 HydrophobicContact CD2-CG 4.12Å; F540-M551 HydrophobicContact CE1-CB 3.64Å; F540-M551 HydrophobicContact CE2-CB 3.44Å; F540-M551 VanDerWaalsContact CE2-CB 3.44Å; F540-M551 HydrophobicContact CE2-CG 3.61Å; F540-M551 HydrophobicContact CG-CB 4.08Å; F540-M551 HydrophobicContact CZ-CB 3.37Å; F540-M551 HydrophobicContact CZ-CG 3.9Å; F540-M551 PolarHBondContact N-O 2.98Å; F540-M551 WeakPolarHBondContact O-CA 3.17Å; F540-M551 WeakPolarHBondContact O-CB 3.29Å; F540-M551 PolarHBondContact O-N 3.34Å
552	T	91.9	Very high	85	Confident	103 Å²	103	73.2 Å²	73.2	63%	0.632	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.2	178.2	-44.9	0	0	0	0	110.3	D538	D538-T552 CarbonylContact O-C 3.51Å; D538-T552 WeakPolarHBondContact O-CA 3.46Å; D538-T552 WeakPolarHBondContact O-CG2 3.39Å
553	C	90.4	Very high	84.8	Confident	12 Å²	12	76.3 Å²	76.3	8%	0.081	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-67.8	156.7	172.8	-75.3	0	0	0	0	111.9	D538 T557 F559 C566	D538-C553 WeakPolarHBondContact O-CB 3.32Å; D538-C553 PolarHBondContact O-N 3.1Å; C553-T557 WeakPolarHBondContact CB-O 3.46Å; C553-F559 PolarHBondContact SG-N 3.31Å; C553-F559 VanDerWaalsContact SG-N 3.45Å; C553-C566 WeakPolarHBondContact CA-SG 3.46Å; C553-C566 HydrophobicContact CB-CB 3.77Å; C553-C566 WeakPolarHBondContact CB-SG 3.13Å; C553-C566 WeakPolarHBondContact SG-CB 3.22Å; C553-C566 CovalentContact SG-SG 2.04Å; C553-C566 PolarHBondContact SG-SG 3.28Å
554	S	85.1	Confident	84.8	Confident	90 Å²	90	78 Å²	78	63%	0.629	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-63.3	147.8	176.5	-55.2	0	0	0	0	110.1	G556 T557	S554-G556 PolarHBondContact O-N 3.25Å; S554-G556 VanDerWaalsContact O-N 3.14Å; S554-T557 PolarHBondContact N-OG1 3.11Å; S554-T557 PolarHBondContact O-N 3.14Å; S554-T557 PolarHBondContact O-OG1 3.15Å
555	A	81.2	Confident	85.5	Confident	113 Å²	113	80.2 Å²	80.2	93%	0.934	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	123.1	178.3	0	0	0	0	0	111.6
556	G	81	Confident	86.4	Confident	65 Å²	65	73.7 Å²	73.7	67%	0.67	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	5.8	-177.8	0	0	0	0	0	116.1	S554	S554-G556 PolarHBondContact O-N 3.25Å; S554-G556 VanDerWaalsContact O-N 3.14Å
557	T	90.1	Very high	87.7	Confident	27 Å²	27	68.1 Å²	68.1	17%	0.166	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.8	174.7	60.3	0	0	0	0	111.3	C553 S554 D567	C553-T557 WeakPolarHBondContact CB-O 3.46Å; S554-T557 PolarHBondContact N-OG1 3.11Å; S554-T557 PolarHBondContact O-N 3.14Å; S554-T557 PolarHBondContact O-OG1 3.15Å; T557-D567 CarbonylContact C-O 3.45Å; T557-D567 VanDerWaalsContact CA-O 3.23Å; T557-D567 WeakPolarHBondContact CA-O 3.38Å; T557-D567 VanDerWaalsContact CB-O 3.25Å; T557-D567 WeakPolarHBondContact CB-O 3.26Å
558	L	92	Very high	88.4	Confident	40 Å²	40	64.7 Å²	64.7	21%	0.209	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.2	176.3	-60.2	-177.6	0	0	0	109.2	C537 D538 N560 C566 D567 A569 V572 C574	C537-L558 HydrophobicContact CB-CD1 4.16Å; C537-L558 HydrophobicContact CB-CD2 3.74Å; C537-L558 HydrophobicContact CB-CG 4.36Å; C537-L558 CarbonylContact O-C 3.54Å; C537-L558 WeakPolarHBondContact O-CA 3.41Å; C537-L558 WeakPolarHBondContact O-CB 3.23Å; D538-L558 HydrophobicContact CB-CD2 4.23Å; L558-N560 PolarHBondContact O-N 2.73Å; L558-C566 CarbonylContact O-C 3.58Å; L558-C566 WeakPolarHBondContact O-CA 3.36Å; L558-D567 PolarHBondContact N-O 2.98Å; L558-D567 PolarHBondContact O-N 3.03Å; L558-A569 HydrophobicContact CD1-CB 3.89Å; L558-A569 HydrophobicContact CG-CB 4.05Å; L558-V572 HydrophobicContact CB-CB 3.99Å; L558-V572 HydrophobicContact CB-CG1 3.95Å; L558-V572 HydrophobicContact CB-CG2 4.02Å; L558-V572 HydrophobicContact CD1-CB 4.34Å; L558-V572 HydrophobicContact CD1-CG1 4.46Å; L558-C574 HydrophobicContact CD1-CB 4.37Å
559	F	93.1	Very high	88.3	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.009	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.2	177.4	-177	-104.3	0	0	0	110.2	I530 P532 C537 F540 C553 P561 V572 Y583	I530-F559 HydrophobicContact CB-CZ 4.47Å; I530-F559 HydrophobicContact CG2-CE2 3.56Å; I530-F559 HydrophobicContact CG2-CZ 3.46Å; I530-F559 VanDerWaalsContact CG2-CZ 3.46Å; P532-F559 HydrophobicContact CB-CD1 3.85Å; P532-F559 HydrophobicContact CB-CE1 4.02Å; C537-F559 PolarHBondContact O-N 3.43Å; F540-F559 HydrophobicContact CB-CB 4.26Å; F540-F559 HydrophobicContact CB-CD1 3.96Å; F540-F559 HydrophobicContact CB-CD2 3.5Å; F540-F559 HydrophobicContact CB-CE1 4.17Å; F540-F559 HydrophobicContact CB-CE2 3.74Å; F540-F559 HydrophobicContact CB-CG 3.62Å; F540-F559 HydrophobicContact CB-CZ 4.08Å; F540-F559 HydrophobicContact CD1-CB 4.37Å; F540-F559 AromaticContact CD1-CD2 3.39Å; F540-F559 HydrophobicContact CD1-CD2 3.39Å; F540-F559 AromaticContact CD1-CE2 3.96Å; F540-F559 HydrophobicContact CD1-CE2 3.96Å; F540-F559 HydrophobicContact CD1-CG 4.09Å; F540-F559 HydrophobicContact CD2-CD2 4.35Å; F540-F559 HydrophobicContact CD2-CE2 4.1Å; F540-F559 HydrophobicContact CE1-CD2 4.16Å; F540-F559 AromaticContact CG-CD2 3.49Å; F540-F559 HydrophobicContact CG-CD2 3.49Å; F540-F559 VanDerWaalsContact CG-CD2 3.49Å; F540-F559 AromaticContact CG-CE2 3.67Å; F540-F559 HydrophobicContact CG-CE2 3.67Å; F540-F559 HydrophobicContact CG-CG 4.12Å; F540-F559 HydrophobicContact CG-CZ 4.42Å; C553-F559 PolarHBondContact SG-N 3.31Å; C553-F559 VanDerWaalsContact SG-N 3.45Å; F559-P561 HydrophobicContact CE1-CB 4.15Å; F559-P561 WeakPolarHBondContact O-CD 3.4Å; F559-V572 WeakPolarHBondContact O-CG1 3.29Å; F559-Y583 WeakPolarHBondContact O-CE1 3.4Å
560	N	90.1	Very high	88.1	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.053	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103.6	177.6	-172.5	-19	0	0	0	109.7	L558 E562 I563 G564 T565 D567 V572	L558-N560 PolarHBondContact O-N 2.73Å; N560-E562 PolarHBondContact O-N 3.29Å; N560-E562 WeakPolarHBondContact OD1-CB 3.12Å; N560-E562 PolarHBondContact OD1-N 2.93Å; N560-I563 HydrophobicContact CB-CD1 4.04Å; N560-I563 HydrophobicContact CB-CG1 3.62Å; N560-I563 PolarHBondContact O-N 3.4Å; N560-G564 PolarHBondContact O-N 2.9Å; N560-T565 WeakPolarHBondContact CA-O 3.13Å; N560-T565 WeakPolarHBondContact CB-O 3.46Å; N560-T565 PolarHBondContact N-O 2.86Å; N560-T565 PolarHBondContact O-N 2.86Å; N560-D567 HydrophobicContact CB-CB 3.65Å; N560-D567 PolarHBondContact ND2-OD2 3.13Å; N560-V572 HydrophobicContact CB-CG2 3.82Å
561	P	85.3	Confident	87.8	Confident	58 Å²	58	67.2 Å²	67.2	38%	0.377	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.6	-179.5	27.5	-34.6	0	0	0	113.4	P532 F559 Y583	P532-P561 HydrophobicContact CG-CB 4.49Å; F559-P561 HydrophobicContact CE1-CB 4.15Å; F559-P561 WeakPolarHBondContact O-CD 3.4Å; P561-Y583 HydrophobicContact CG-CD1 3.79Å; P561-Y583 HydrophobicContact CG-CE1 4.39Å; P561-Y583 HydrophobicContact CG-CG 3.97Å
562	E	83.7	Confident	87.4	Confident	123 Å²	123	63.8 Å²	63.8	58%	0.575	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-30.9	177.3	-62.1	-171.6	164.9	0	0	112.5	N560	N560-E562 PolarHBondContact O-N 3.29Å; N560-E562 WeakPolarHBondContact OD1-CB 3.12Å; N560-E562 PolarHBondContact OD1-N 2.93Å
563	I	87.6	Confident	86.9	Confident	100 Å²	100	61.7 Å²	61.7	51%	0.513	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-2.5	-179.2	61.4	171.6	0	0	0	113.2	N560 T565 D567	N560-I563 HydrophobicContact CB-CD1 4.04Å; N560-I563 HydrophobicContact CB-CG1 3.62Å; N560-I563 PolarHBondContact O-N 3.4Å; I563-T565 VanDerWaalsContact C-N 3.32Å; I563-T565 HydrophobicContact CB-CG2 4.47Å; I563-T565 HydrophobicContact CD1-CG2 3.47Å; I563-T565 VanDerWaalsContact CD1-CG2 3.47Å; I563-T565 HydrophobicContact CG1-CG2 3.72Å; I563-T565 PolarHBondContact O-N 3.34Å; I563-D567 HydrophobicContact CD1-CB 4.1Å
564	G	87.8	Confident	86.4	Confident	40 Å²	40	62.5 Å²	62.5	41%	0.412	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	29.1	177.9	0	0	0	0	0	114.2	N560	N560-G564 PolarHBondContact O-N 2.9Å
565	T	92.1	Very high	85.7	Confident	76 Å²	76	63 Å²	63	47%	0.466	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	168.2	-178.5	-162.7	0	0	0	0	112.2	N560 I563	N560-T565 WeakPolarHBondContact CA-O 3.13Å; N560-T565 WeakPolarHBondContact CB-O 3.46Å; N560-T565 PolarHBondContact N-O 2.86Å; N560-T565 PolarHBondContact O-N 2.86Å; I563-T565 VanDerWaalsContact C-N 3.32Å; I563-T565 HydrophobicContact CB-CG2 4.47Å; I563-T565 HydrophobicContact CD1-CG2 3.47Å; I563-T565 VanDerWaalsContact CD1-CG2 3.47Å; I563-T565 HydrophobicContact CG1-CG2 3.72Å; I563-T565 PolarHBondContact O-N 3.34Å
566	C	92.4	Very high	84.6	Confident	37 Å²	37	62.2 Å²	62.2	25%	0.25	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.8	175.3	-58.4	0	0	0	0	110.6	C553 L558	C553-C566 WeakPolarHBondContact CA-SG 3.46Å; C553-C566 HydrophobicContact CB-CB 3.77Å; C553-C566 WeakPolarHBondContact CB-SG 3.13Å; C553-C566 WeakPolarHBondContact SG-CB 3.22Å; C553-C566 CovalentContact SG-SG 2.04Å; C553-C566 PolarHBondContact SG-SG 3.28Å; L558-C566 CarbonylContact O-C 3.58Å; L558-C566 WeakPolarHBondContact O-CA 3.36Å
567	D	92	Very high	83.4	Confident	27 Å²	27	62.1 Å²	62.1	14%	0.144	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	165	-176.8	-160.9	-9.1	0	0	0	110.1	T557 L558 N560 I563 A569 N571 V572	T557-D567 CarbonylContact C-O 3.45Å; T557-D567 VanDerWaalsContact CA-O 3.23Å; T557-D567 WeakPolarHBondContact CA-O 3.38Å; T557-D567 VanDerWaalsContact CB-O 3.25Å; T557-D567 WeakPolarHBondContact CB-O 3.26Å; L558-D567 PolarHBondContact N-O 2.98Å; L558-D567 PolarHBondContact O-N 3.03Å; N560-D567 HydrophobicContact CB-CB 3.65Å; N560-D567 PolarHBondContact ND2-OD2 3.13Å; I563-D567 HydrophobicContact CD1-CB 4.1Å; D567-A569 PolarHBondContact O-N 2.83Å; D567-N571 HydrophobicContact CB-CB 4.45Å; D567-N571 VanDerWaalsContact CG-CB 3.48Å; D567-N571 PolarHBondContact OD1-ND2 3.12Å; D567-N571 WeakPolarHBondContact OD2-CB 3.31Å; D567-N571 PolarHBondContact OD2-ND2 2.92Å; D567-V572 HydrophobicContact CB-CG2 3.87Å
568	H	87.1	Confident	81.5	Confident	99 Å²	99	66.7 Å²	66.7	46%	0.458	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.6	173.6	-70	-70.8	0	0	0	110.8	Y570 N571	H568-Y570 HydrophobicContact CB-CD1 3.62Å; H568-Y570 HydrophobicContact CB-CE1 3.18Å; H568-Y570 HydrophobicContact CB-CE2 4.18Å; H568-Y570 HydrophobicContact CB-CG 4.28Å; H568-Y570 VanDerWaalsContact CB-CZ 3.48Å; H568-Y570 AromaticContact CD2-CZ 3.9Å; H568-Y570 PolarHBondContact CD2-OH 3.22Å; H568-Y570 VanDerWaalsContact CD2-OH 3.28Å; H568-Y570 AromaticContact CG-CE1 3.56Å; H568-Y570 AromaticContact CG-CZ 3.79Å; H568-Y570 PolarHBondContact O-N 2.78Å; H568-N571 WeakPolarHBondContact O-CB 3.42Å; H568-N571 PolarHBondContact O-N 3.12Å
569	A	82.2	Confident	79.7	Confident	52 Å²	52	70.4 Å²	70.4	43%	0.43	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-53.4	-29.3	-175.7	0	0	0	0	0	114.3	L558 D567 N571 V572	L558-A569 HydrophobicContact CD1-CB 3.89Å; L558-A569 HydrophobicContact CG-CB 4.05Å; D567-A569 PolarHBondContact O-N 2.83Å; A569-N571 PolarHBondContact O-N 2.92Å; A569-V572 PolarHBondContact O-N 3.01Å
570	Y	83.5	Confident	78.1	Confident	179 Å²	179	71.2 Å²	71.2	70%	0.702	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-71.3	-13.9	176.9	63.2	-102.8	0	0	0	114.4	H568	H568-Y570 HydrophobicContact CB-CD1 3.62Å; H568-Y570 HydrophobicContact CB-CE1 3.18Å; H568-Y570 HydrophobicContact CB-CE2 4.18Å; H568-Y570 HydrophobicContact CB-CG 4.28Å; H568-Y570 VanDerWaalsContact CB-CZ 3.48Å; H568-Y570 AromaticContact CD2-CZ 3.9Å; H568-Y570 PolarHBondContact CD2-OH 3.22Å; H568-Y570 VanDerWaalsContact CD2-OH 3.28Å; H568-Y570 AromaticContact CG-CE1 3.56Å; H568-Y570 AromaticContact CG-CZ 3.79Å; H568-Y570 PolarHBondContact O-N 2.78Å
571	N	85.3	Confident	76.8	Confident	73 Å²	73	71.5 Å²	71.5	39%	0.39	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-97.2	-4.7	174.9	-70.8	-27.3	0	0	0	112.9	D567 H568 A569	D567-N571 HydrophobicContact CB-CB 4.45Å; D567-N571 VanDerWaalsContact CG-CB 3.48Å; D567-N571 PolarHBondContact OD1-ND2 3.12Å; D567-N571 WeakPolarHBondContact OD2-CB 3.31Å; D567-N571 PolarHBondContact OD2-ND2 2.92Å; H568-N571 WeakPolarHBondContact O-CB 3.42Å; H568-N571 PolarHBondContact O-N 3.12Å; A569-N571 PolarHBondContact O-N 2.92Å
572	V	82.5	Confident	76	Confident	13 Å²	13	71.7 Å²	71.7	8%	0.079	44%	0.442	C	S	.	.			trans	-117.9	116.3	-173	-173.8	0	0	0	0	110.7	L558 F559 N560 D567 A569 C574 Y583	L558-V572 HydrophobicContact CB-CB 3.99Å; L558-V572 HydrophobicContact CB-CG1 3.95Å; L558-V572 HydrophobicContact CB-CG2 4.02Å; L558-V572 HydrophobicContact CD1-CB 4.34Å; L558-V572 HydrophobicContact CD1-CG1 4.46Å; F559-V572 WeakPolarHBondContact O-CG1 3.29Å; N560-V572 HydrophobicContact CB-CG2 3.82Å; D567-V572 HydrophobicContact CB-CG2 3.87Å; A569-V572 PolarHBondContact O-N 3.01Å; V572-C574 HydrophobicContact CG1-CB 4.22Å; V572-C574 PolarHBondContact O-N 3.28Å; V572-C574 VanDerWaalsContact O-N 3.1Å; V572-Y583 HydrophobicContact CG1-CD1 4.21Å; V572-Y583 HydrophobicContact CG1-CE1 3.99Å
573	S	81	Confident	75.1	Confident	60 Å²	60	68.2 Å²	68.2	42%	0.42	42%	0.424	S	S	.	.			trans	-83.7	79.6	176.5	-58.8	0	0	0	0	111	Y583 L584	S573-Y583 WeakPolarHBondContact O-CA 3.48Å; S573-L584 WeakPolarHBondContact CB-O 3.47Å; S573-L584 PolarHBondContact O-N 2.85Å
574	C	79.9	Confident	73.6	Confident	28 Å²	28	66.8 Å²	66.8	19%	0.189	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.9	178.8	-157.6	0	0	0	0	112	C537 L558 V572 V582 Y583	C537-C574 HydrophobicContact CB-CB 3.75Å; C537-C574 WeakPolarHBondContact CB-SG 3.36Å; C537-C574 WeakPolarHBondContact SG-CB 3.4Å; C537-C574 CovalentContact SG-SG 2.01Å; C537-C574 PolarHBondContact SG-SG 2.86Å; L558-C574 HydrophobicContact CD1-CB 4.37Å; V572-C574 HydrophobicContact CG1-CB 4.22Å; V572-C574 PolarHBondContact O-N 3.28Å; V572-C574 VanDerWaalsContact O-N 3.1Å; C574-V582 WeakPolarHBondContact CA-O 3.23Å; C574-Y583 HydrophobicContact CB-CD1 4.29Å; C574-Y583 HydrophobicContact CB-CE1 4.17Å
575	L	70.9	Confident	71.9	Confident	102 Å²	102	71.4 Å²	71.4	53%	0.534	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.4	175.1	-77.3	165	0	0	0	110.3	V582 L584	L575-V582 PolarHBondContact N-O 2.64Å; L575-V582 PolarHBondContact O-N 2.73Å; L575-L584 HydrophobicContact CD1-CD1 3.62Å; L575-L584 HydrophobicContact CD1-CG 4.48Å
576	A	56.4	Low	69.8	Low	96 Å²	96	76.4 Å²	76.4	79%	0.793	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.4	170.4	0	0	0	0	0	110.1
577	T	57.3	Low	67.6	Low	63 Å²	63	80 Å²	80	39%	0.387	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	165.2	173.6	69.6	0	0	0	0	110.5	S579 G580 V582	T577-S579 PolarHBondContact O-N 3.42Å; T577-S579 PolarHBondContact OG1-N 2.82Å; T577-S579 PolarHBondContact OG1-OG 2.73Å; T577-G580 WeakPolarHBondContact CA-O 3.06Å; T577-G580 PolarHBondContact N-O 2.71Å; T577-G580 PolarHBondContact O-N 3.23Å; T577-G580 VanDerWaalsContact O-N 3.14Å; T577-G580 PolarHBondContact OG1-O 2.6Å; T577-V582 HydrophobicContact CG2-CG2 3.97Å
578	A	48.7	Very low	65.3	Low	123 Å²	123	83 Å²	83	100%	1.017	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12	177.1	0	0	0	0	0	113.9
579	S	55.7	Low	62.9	Low	118 Å²	118	84.7 Å²	84.7	83%	0.825	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	8	178.8	54.7	0	0	0	0	114.5	T577	T577-S579 PolarHBondContact O-N 3.42Å; T577-S579 PolarHBondContact OG1-N 2.82Å; T577-S579 PolarHBondContact OG1-OG 2.73Å
580	G	58.6	Low	60.4	Low	19 Å²	19	85.6 Å²	85.6	20%	0.196	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126.5	-172.8	-177.5	0	0	0	0	0	113.9	P534 T577	P534-G580 WeakPolarHBondContact O-CA 3.01Å; T577-G580 WeakPolarHBondContact CA-O 3.06Å; T577-G580 PolarHBondContact N-O 2.71Å; T577-G580 PolarHBondContact O-N 3.23Å; T577-G580 VanDerWaalsContact O-N 3.14Å; T577-G580 PolarHBondContact OG1-O 2.6Å
581	A	63.2	Low	57.9	Low	15 Å²	15	84.9 Å²	84.9	12%	0.124	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.7	179.3	0	0	0	0	0	111.2	P534	P534-A581 PolarHBondContact O-N 3.33Å
582	V	67.6	Low	55.1	Low	63 Å²	63	89.7 Å²	89.7	38%	0.382	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.4	178	-177.8	0	0	0	0	110	C574 L575 T577 L584	C574-V582 WeakPolarHBondContact CA-O 3.23Å; L575-V582 PolarHBondContact N-O 2.64Å; L575-V582 PolarHBondContact O-N 2.73Å; T577-V582 HydrophobicContact CG2-CG2 3.97Å; V582-L584 HydrophobicContact CG1-CD2 4.3Å
583	Y	65.6	Low	52.6	Low	50 Å²	50	96.2 Å²	96.2	20%	0.196	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.8	127.8	173.7	-65.4	-88.3	0	0	0	110.5	P532 C537 F559 P561 V572 S573 C574	P532-Y583 HydrophobicContact CB-CD2 3.96Å; P532-Y583 HydrophobicContact CB-CE2 3.45Å; P532-Y583 VanDerWaalsContact CB-CE2 3.45Å; P532-Y583 HydrophobicContact CG-CD2 4.47Å; P532-Y583 HydrophobicContact CG-CE2 4.41Å; C537-Y583 WeakPolarHBondContact CA-OH 3.3Å; C537-Y583 PolarHBondContact O-OH 2.8Å; F559-Y583 WeakPolarHBondContact O-CE1 3.4Å; P561-Y583 HydrophobicContact CG-CD1 3.79Å; P561-Y583 HydrophobicContact CG-CE1 4.39Å; P561-Y583 HydrophobicContact CG-CG 3.97Å; V572-Y583 HydrophobicContact CG1-CD1 4.21Å; V572-Y583 HydrophobicContact CG1-CE1 3.99Å; S573-Y583 WeakPolarHBondContact O-CA 3.48Å; C574-Y583 HydrophobicContact CB-CD1 4.29Å; C574-Y583 HydrophobicContact CB-CE1 4.17Å
584	L	55.2	Low	50.2	Low	70 Å²	70	98.7 Å²	98.7	37%	0.366	58%	0.581	S	S	.	*			trans	-105.6	137.4	-179.8	-62.8	175.8	0	0	0	111.3	S573 L575 V582	S573-L584 WeakPolarHBondContact CB-O 3.47Å; S573-L584 PolarHBondContact O-N 2.85Å; L575-L584 HydrophobicContact CD1-CD1 3.62Å; L575-L584 HydrophobicContact CD1-CG 4.48Å; V582-L584 HydrophobicContact CG1-CD2 4.3Å
585	K	53	Low	47.9	Very low	137 Å²	137	103.2 Å²	103.2	60%	0.596	61%	0.608	S	S	*	*			trans	-70.3	149.5	166.2	-65.9	179.3	170.7	177.5	0	109.7	T587 D588	K585-T587 PolarHBondContact O-N 2.79Å; K585-D588 VanDerWaalsContact CB-OD2 3.26Å; K585-D588 WeakPolarHBondContact CB-OD2 3.42Å; K585-D588 PolarHBondContact N-OD2 3.39Å; K585-D588 PolarHBondContact O-N 2.64Å
586	K	47.3	Very low	45.9	Very low	181 Å²	181	104.6 Å²	104.6	79%	0.787	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-9.1	175.8	-127.7	172.2	-174	167.6	0	114.8
587	T	46.3	Very low	44.8	Very low	111 Å²	111	109.9 Å²	109.9	68%	0.681	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-9.1	179.7	48.5	0	0	0	0	115.2	K585 V589	K585-T587 PolarHBondContact O-N 2.79Å; T587-V589 VanDerWaalsContact C-N 3.33Å; T587-V589 PolarHBondContact O-N 3.3Å
588	D	43.3	Very low	43.6	Very low	91 Å²	91	111.5 Å²	111.5	49%	0.487	63%	0.629	S	S	.	*			trans	-92.6	12	-164	-61	-14.2	0	0	0	113.8	K585 A590	K585-D588 VanDerWaalsContact CB-OD2 3.26Å; K585-D588 WeakPolarHBondContact CB-OD2 3.42Å; K585-D588 PolarHBondContact N-OD2 3.39Å; K585-D588 PolarHBondContact O-N 2.64Å; D588-A590 PolarHBondContact O-N 2.8Å
589	V	37.5	Very low	42.6	Very low	134 Å²	134	114.9 Å²	114.9	81%	0.812	62%	0.615	S	S	*	*	S	Bend	trans	-84.4	54.5	172.3	-166	0	0	0	0	109.9	T587	T587-V589 VanDerWaalsContact C-N 3.33Å; T587-V589 PolarHBondContact O-N 3.3Å
590	A	30.7	Very low	41.4	Very low	72 Å²	72	117.3 Å²	117.3	60%	0.595	62%	0.618	S	S	*	*	S	Bend	trans	179.7	114.4	161.9	0	0	0	0	0	110.7	D588	D588-A590 PolarHBondContact O-N 2.8Å
591	I	30.7	Very low	39.8	Very low	163 Å²	163	124.9 Å²	124.9	84%	0.836	64%	0.642	S	S	*	*			trans	79.6	98.7	150.4	-51.2	165.3	0	0	0	116.5
592	L	25.9	Very low	38.1	Very low	175 Å²	175	133.7 Å²	133.7	92%	0.916	68%	0.678	S	S	*	*			trans	-59.9	123.7	147	-74.5	143.1	0	0	0	110.1
593	D	30.3	Very low	36.1	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	70%	0.697	S	S	*	*			trans	-163.8	158.1	144.6	-147.3	-8.2	0	0	0	112.6
594	V	30.7	Very low	34.2	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.685	73%	0.729	S	S	*	*			trans	-108	157.8	-150.4	-168.6	0	0	0	0	111.8
595	T	30.3	Very low	33.1	Very low	122 Å²	122	148.1 Å²	148.1	75%	0.748	75%	0.754	S	S	*	*			trans	118	137.5	138.7	67.4	0	0	0	0	120.9
596	N	30	Very low	32	Very low	131 Å²	131	147.1 Å²	147.1	70%	0.701	76%	0.762	S	S	*	*			trans	85	108.7	154	-85.4	-18.1	0	0	0	120
597	R	33.1	Very low	31.1	Very low	208 Å²	208	148.6 Å²	148.6	79%	0.785	77%	0.768	S	S	*	*				70.9	132.1	81.4	-74.2	-171.3	-169.2	-124.7	-0.4	111.1
598	S	32.1	Very low	30.4	Very low	96 Å²	96	148.1 Å²	148.1	67%	0.671	77%	0.77	S	S	*	*			cis	-177.4	152.1	34.7	13.6	0	0	0	0	112.9
599	W	28.5	Very low	29.7	Very low	194 Å²	194	148.6 Å²	148.6	74%	0.735	79%	0.786	S	S	*	*			trans	52.9	126.8	138.2	-56.3	117.1	0	0	0	122.4	Y601	W599-Y601 HydrophobicContact CE3-CD2 4.45Å; W599-Y601 HydrophobicContact CE3-CE2 4.46Å; W599-Y601 HydrophobicContact CZ3-CE2 4.12Å
600	L	29	Very low	29.4	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	79%	0.789	S	S	*	*				-163.3	128.8	122.8	-101.7	152.2	0	0	0	112.1
601	Y	25.1	Very low	29.3	Very low	177 Å²	177	157 Å²	157	69%	0.694	81%	0.805	S	S	*	*			trans	-66.2	155.2	172	-101	-111.9	0	0	0	112.5	W599	W599-Y601 HydrophobicContact CE3-CD2 4.45Å; W599-Y601 HydrophobicContact CE3-CE2 4.46Å; W599-Y601 HydrophobicContact CZ3-CE2 4.12Å
602	F	28.3	Very low	29.3	Very low	201 Å²	201	158 Å²	158	88%	0.882	81%	0.806	S	S	*	*			trans	-157.5	140.5	132.8	-108.8	-75.7	0	0	0	112.8
603	Q	26	Very low	29.8	Very low	166 Å²	166	159.4 Å²	159.4	78%	0.776	80%	0.804	S	S	*	*			trans	-80.3	158.8	-172.1	-70.2	162.7	-67.3	0	0	113.9
604	C	25.3	Very low	30.4	Very low	130 Å²	130	161 Å²	161	88%	0.878	80%	0.804	S	S	*	*			trans	-80.1	147.1	164.3	-77.1	0	0	0	0	112
605	E	31.1	Very low	31.5	Very low	189 Å²	189	161 Å²	161	88%	0.883	80%	0.8	S	S	*	*			trans	-136.7	154.7	156	-92.4	-159.4	179.2	0	0	110.7
606	P	30.2	Very low	33.7	Very low	117 Å²	117	160 Å²	160	76%	0.76	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-91.7	144.2	-154.7	35.5	-31.7	0	0	0	112.4
607	F	28.6	Very low	36.7	Very low	211 Å²	211	154.6 Å²	154.6	93%	0.925	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-99.8	129.5	166.9	-136.7	-97.1	0	0	0	110.1
608	S	31.9	Very low	39.7	Very low	101 Å²	101	145.8 Å²	145.8	71%	0.706	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-62.2	143	-170.4	48.9	0	0	0	0	114.3
609	A	27.6	Very low	42.8	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-67.9	123.2	177.4	0	0	0	0	0	113.2
610	E	31.9	Very low	46.1	Very low	187 Å²	187	133.1 Å²	133.1	87%	0.874	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-102.6	131.6	146.5	-84	179.9	155.1	0	0	107.3	E612	E610-E612 PolarHBondContact O-N 2.97Å
611	E	28.4	Very low	49.4	Very low	197 Å²	197	125 Å²	125	92%	0.921	63%	0.627	S	S	*	*			trans	-64.1	84.8	-172.7	-69	177.4	137	0	0	112.6	K613	E611-K613 PolarHBondContact O-N 3.37Å
612	E	30.4	Very low	53	Low	183 Å²	183	116.7 Å²	116.7	86%	0.855	60%	0.595	S	S	*	*			trans	-62.9	113.3	155	-94.3	-172.3	152.7	0	0	107.9	E610 K614	E610-E612 PolarHBondContact O-N 2.97Å; E612-K614 VanDerWaalsContact C-N 3.31Å; E612-K614 PolarHBondContact O-N 3.07Å
613	K	36.5	Very low	56.3	Low	205 Å²	205	107.3 Å²	107.3	89%	0.891	55%	0.553	S	S	*	*			trans	-57.8	99.1	166.8	-83.8	-179	177.2	172.9	0	107.9	E611 N615	E611-K613 PolarHBondContact O-N 3.37Å; K613-N615 PolarHBondContact O-N 3.49Å
614	K	44.3	Very low	59.7	Low	183 Å²	183	99.4 Å²	99.4	80%	0.796	52%	0.516	S	S	*	.			trans	-35.3	125.5	170.7	-92.3	-177	170.4	-175.1	0	109.1	E612 V616	E612-K614 VanDerWaalsContact C-N 3.31Å; E612-K614 PolarHBondContact O-N 3.07Å; K614-V616 HydrophobicContact CB-CG2 4.21Å; K614-V616 WeakPolarHBondContact O-CG2 3.42Å; K614-V616 PolarHBondContact O-N 3.04Å
615	N	53	Low	63.2	Low	113 Å²	113	93.2 Å²	93.2	60%	0.604	48%	0.475	S	S	*	.			trans	-63.7	84.1	169.5	-98.9	-44	0	0	0	108.1	K613 F617 K851	K613-N615 PolarHBondContact O-N 3.49Å; N615-F617 PolarHBondContact O-N 2.82Å; N615-K851 VanDerWaalsContact CG-NZ 3.25Å; N615-K851 WeakPolarHBondContact OD1-CE 3.3Å; N615-K851 PolarHBondContact OD1-NZ 3.27Å
616	V	76.3	Confident	66.2	Low	101 Å²	101	88 Å²	88	61%	0.612	45%	0.447	S	S	*	.			trans	-76.3	110.8	178.8	-174.5	0	0	0	0	107.8	K614	K614-V616 HydrophobicContact CB-CG2 4.21Å; K614-V616 WeakPolarHBondContact O-CG2 3.42Å; K614-V616 PolarHBondContact O-N 3.04Å
617	F	93.9	Very high	69.4	Low	16 Å²	16	82.5 Å²	82.5	7%	0.07	41%	0.411	C	S	.	.			trans	-73.6	138.1	173.1	-70.6	-89.8	0	0	0	109.6	N615 I942 I943 Y947 G948 L983 N984	N615-F617 PolarHBondContact O-N 2.82Å; F617-I942 HydrophobicContact CD1-CG2 4.44Å; F617-I942 HydrophobicContact CE1-CG2 4.46Å; F617-I943 HydrophobicContact CZ-CB 4.44Å; F617-I943 HydrophobicContact CZ-CG1 4.24Å; F617-I943 HydrophobicContact CZ-CG2 4.44Å; F617-Y947 WeakPolarHBondContact CD1-O 3.46Å; F617-Y947 WeakPolarHBondContact CE1-O 3.43Å; F617-G948 WeakPolarHBondContact CA-O 3.19Å; F617-L983 HydrophobicContact CB-CB 3.77Å; F617-L983 HydrophobicContact CB-CD1 4.46Å; F617-L983 HydrophobicContact CB-CD2 4.43Å; F617-L983 HydrophobicContact CB-CG 4.46Å; F617-L983 HydrophobicContact CD1-CD2 4.27Å; F617-L983 HydrophobicContact CD2-CB 4.49Å; F617-L983 WeakPolarHBondContact CD2-O 3.47Å; F617-L983 HydrophobicContact CG-CB 4.2Å; F617-L983 HydrophobicContact CG-CD2 4.33Å; F617-N984 PolarHBondContact N-OD1 3.05Å
618	I	95.6	Very high	72.7	Confident	24 Å²	24	73.3 Å²	73.3	12%	0.123	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.3	177.1	-73.1	161.3	0	0	0	109.7	Y648 F799 I854 G948 G949 A950	I618-Y648 HydrophobicContact CB-CE2 4.35Å; I618-Y648 HydrophobicContact CG1-CE2 3.92Å; I618-Y648 HydrophobicContact CG2-CD2 3.69Å; I618-Y648 HydrophobicContact CG2-CE2 3.88Å; I618-F799 HydrophobicContact CD1-CB 4.48Å; I618-F799 HydrophobicContact CD1-CD1 3.47Å; I618-F799 VanDerWaalsContact CD1-CD1 3.47Å; I618-F799 HydrophobicContact CD1-CE1 3.73Å; I618-F799 HydrophobicContact CD1-CG 3.99Å; I618-F799 HydrophobicContact CD1-CZ 4.45Å; I618-F799 HydrophobicContact CG2-CZ 4.29Å; I618-I854 HydrophobicContact CB-CD1 3.87Å; I618-I854 HydrophobicContact CB-CG1 4.45Å; I618-I854 HydrophobicContact CD1-CD1 3.67Å; I618-I854 HydrophobicContact CD1-CG1 4.34Å; I618-I854 HydrophobicContact CG1-CD1 4.33Å; I618-I854 HydrophobicContact CG2-CD1 4.19Å; I618-I854 HydrophobicContact CG2-CG1 4.22Å; I618-I854 HydrophobicContact CG2-CG2 4.13Å; I618-G948 PolarHBondContact N-O 3.28Å; I618-G949 CarbonylContact O-C 3.58Å; I618-G949 VanDerWaalsContact O-CA 3.26Å; I618-G949 WeakPolarHBondContact O-CA 3.43Å; I618-A950 PolarHBondContact O-N 3.05Å; I618-A950 VanDerWaalsContact O-O 3.09Å
619	R	97.4	Very high	75.7	Confident	24 Å²	24	73.6 Å²	73.6	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	104.1	170.8	-54.1	175.5	-61.1	145.3	-0.2	109.6	G644 L645 C646 D647 Y648 A950 L980 L983 N984	R619-G644 PolarHBondContact NH1-O 2.99Å; R619-G644 PolarHBondContact NH2-O 3.17Å; R619-L645 PolarHBondContact NH1-O 3.02Å; R619-C646 CarbonylContact O-C 3.53Å; R619-C646 WeakPolarHBondContact O-CB 3.29Å; R619-D647 WeakPolarHBondContact CB-OD2 3.49Å; R619-D647 WeakPolarHBondContact CG-OD2 3.42Å; R619-D647 IonicContact CZ-OD1 3.76Å; R619-D647 IonicContact CZ-OD2 3.68Å; R619-D647 PolarHBondContact N-OD2 3.33Å; R619-D647 IonicContact NE-OD1 3.89Å; R619-D647 PolarHBondContact NE-OD1 3.39Å; R619-D647 IonicContact NE-OD2 2.96Å; R619-D647 PolarHBondContact NE-OD2 3.3Å; R619-D647 IonicContact NH2-OD1 2.81Å; R619-D647 PolarHBondContact NH2-OD1 3.01Å; R619-D647 IonicContact NH2-OD2 3.19Å; R619-D647 PolarHBondContact O-N 3.09Å; R619-Y648 PolarHBondContact O-N 3.12Å; R619-Y648 VanDerWaalsContact O-N 3.07Å; R619-A950 WeakPolarHBondContact CA-O 3.42Å; R619-L980 HydrophobicContact CB-CB 4.32Å; R619-L980 HydrophobicContact CB-CD1 4.21Å; R619-L980 WeakPolarHBondContact CD-O 3.5Å; R619-L980 HydrophobicContact CG-CB 4.22Å; R619-L983 HydrophobicContact CG-CD1 4.15Å; R619-N984 PolarHBondContact NE-ND2 3.04Å
620	G	98	Very high	78.9	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.2	-176.6	0	0	0	0	0	113.8	Y648 A950 F951 V952	G620-Y648 CarbonylContact C-O 3.41Å; G620-Y648 WeakPolarHBondContact CA-O 3.29Å; G620-A950 PolarHBondContact N-O 2.8Å; G620-F951 CarbonylContact O-C 3.6Å; G620-F951 WeakPolarHBondContact O-CA 3.25Å; G620-V952 PolarHBondContact O-N 3.09Å
621	C	98.7	Very high	81.9	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	124.3	178.7	-68.8	0	0	0	0	111.8	C646 Y648 I649 F650 V952 L955	C621-C646 HydrophobicContact CB-CB 3.71Å; C621-C646 WeakPolarHBondContact CB-SG 3.29Å; C621-C646 WeakPolarHBondContact SG-CB 3.3Å; C621-C646 CovalentContact SG-SG 2Å; C621-C646 PolarHBondContact SG-SG 3.45Å; C621-Y648 PolarHBondContact N-O 3.38Å; C621-I649 CarbonylContact O-C 3.58Å; C621-I649 VanDerWaalsContact O-CA 3.3Å; C621-I649 WeakPolarHBondContact O-CA 3.34Å; C621-F650 PolarHBondContact O-N 3.08Å; C621-V952 HydrophobicContact CB-CG2 3.97Å; C621-V952 VanDerWaalsContact SG-CG2 3.52Å; C621-L955 HydrophobicContact CB-CD1 3.97Å; C621-L955 HydrophobicContact CB-CD2 3.92Å; C621-L955 HydrophobicContact CB-CG 3.86Å
622	Y	98.8	Very high	85	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.2	170.6	-80	-96.2	0	0	0	110.9	F650 A652 D733 N801 F951 V952 W953 L955	Y622-F650 WeakPolarHBondContact CA-O 3.45Å; Y622-F650 HydrophobicContact CD1-CB 3.55Å; Y622-F650 HydrophobicContact CD1-CG 4.48Å; Y622-F650 HydrophobicContact CD2-CB 4.15Å; Y622-F650 HydrophobicContact CD2-CD2 4.12Å; Y622-F650 HydrophobicContact CD2-CG 4.39Å; Y622-F650 HydrophobicContact CE1-CB 3.5Å; Y622-F650 VanDerWaalsContact CE1-CB 3.5Å; Y622-F650 HydrophobicContact CE1-CG 4.14Å; Y622-F650 HydrophobicContact CE2-CB 4.1Å; Y622-F650 AromaticContact CE2-CD2 3.92Å; Y622-F650 HydrophobicContact CE2-CD2 3.92Å; Y622-F650 HydrophobicContact CE2-CG 4.04Å; Y622-F650 HydrophobicContact CG-CB 3.89Å; Y622-F650 AromaticContact CZ-CG 3.9Å; Y622-A652 HydrophobicContact CD1-CB 4.18Å; Y622-D733 PolarHBondContact OH-OD2 2.95Å; Y622-N801 PolarHBondContact OH-ND2 3.42Å; Y622-F951 AromaticContact CD2-CD2 3.6Å; Y622-F951 HydrophobicContact CD2-CD2 3.6Å; Y622-F951 AromaticContact CD2-CE2 3.9Å; Y622-F951 HydrophobicContact CD2-CE2 3.9Å; Y622-F951 AromaticContact CE2-CD2 3.44Å; Y622-F951 HydrophobicContact CE2-CD2 3.44Å; Y622-F951 VanDerWaalsContact CE2-CD2 3.44Å; Y622-F951 AromaticContact CE2-CE2 3.53Å; Y622-F951 HydrophobicContact CE2-CE2 3.53Å; Y622-F951 HydrophobicContact CE2-CG 4.34Å; Y622-V952 PolarHBondContact N-O 2.76Å; Y622-W953 AromaticContact CD1-CE3 3.72Å; Y622-W953 HydrophobicContact CD1-CE3 3.72Å; Y622-W953 AromaticContact CD1-CZ3 3.56Å; Y622-W953 HydrophobicContact CD1-CZ3 3.56Å; Y622-W953 HydrophobicContact CD2-CE3 4.02Å; Y622-W953 HydrophobicContact CE1-CE3 4.43Å; Y622-W953 HydrophobicContact CE1-CZ3 4.22Å; Y622-W953 AromaticContact CG-CE3 3.49Å; Y622-W953 HydrophobicContact CG-CE3 3.49Å; Y622-W953 VanDerWaalsContact CG-CE3 3.49Å; Y622-W953 AromaticContact CG-CZ3 3.82Å; Y622-W953 HydrophobicContact CG-CZ3 3.82Å; Y622-L955 PolarHBondContact O-N 3.1Å
623	F	98.6	Very high	87.9	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127	168.5	177.3	-79.5	0	0	0	108.2	Y636 P638 I649 F650 F651 A652 L673 I677 L955	F623-Y636 HydrophobicContact CD2-CD1 4.13Å; F623-Y636 AromaticContact CD2-CE1 3.67Å; F623-Y636 HydrophobicContact CD2-CE1 3.67Å; F623-Y636 AromaticContact CE2-CD1 3.71Å; F623-Y636 HydrophobicContact CE2-CD1 3.71Å; F623-Y636 AromaticContact CE2-CE1 3.58Å; F623-Y636 HydrophobicContact CE2-CE1 3.58Å; F623-Y636 HydrophobicContact CZ-CD1 4.47Å; F623-P638 HydrophobicContact CE2-CG 4.07Å; F623-P638 HydrophobicContact CZ-CG 3.86Å; F623-I649 HydrophobicContact CB-CG2 3.92Å; F623-F650 PolarHBondContact N-O 3.45Å; F623-F651 AromaticContact CD1-CD2 3.56Å; F623-F651 HydrophobicContact CD1-CD2 3.56Å; F623-F651 AromaticContact CD1-CE2 3.49Å; F623-F651 HydrophobicContact CD1-CE2 3.49Å; F623-F651 VanDerWaalsContact CD1-CE2 3.49Å; F623-F651 HydrophobicContact CD1-CG 4.42Å; F623-F651 HydrophobicContact CD1-CZ 4.25Å; F623-F651 HydrophobicContact CE1-CD2 4.09Å; F623-F651 AromaticContact CE1-CE2 3.51Å; F623-F651 HydrophobicContact CE1-CE2 3.51Å; F623-F651 HydrophobicContact CE1-CZ 4.13Å; F623-F651 HydrophobicContact CG-CD2 4.37Å; F623-A652 WeakPolarHBondContact O-CB 3.33Å; F623-A652 PolarHBondContact O-N 2.82Å; F623-L673 HydrophobicContact CZ-CD2 4.46Å; F623-I677 HydrophobicContact CB-CD1 4.46Å; F623-I677 HydrophobicContact CD1-CD1 4.23Å; F623-I677 HydrophobicContact CD2-CD1 3.87Å; F623-I677 HydrophobicContact CE2-CD1 4.2Å; F623-I677 HydrophobicContact CG-CD1 3.92Å; F623-L955 HydrophobicContact CB-CD1 4.3Å
624	T	98.2	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.4	-177.2	63.1	0	0	0	0	111.1	W626 S627 A652 W953 D956	T624-W626 VanDerWaalsContact C-N 3.3Å; T624-W626 VanDerWaalsContact CB-CZ2 3.48Å; T624-W626 HydrophobicContact CG2-CH2 3.61Å; T624-W626 HydrophobicContact CG2-CZ2 3.37Å; T624-W626 HydrophobicContact CG2-CZ3 4.37Å; T624-W626 PolarHBondContact O-N 2.88Å; T624-S627 WeakPolarHBondContact O-CB 3.09Å; T624-S627 PolarHBondContact O-N 2.83Å; T624-S627 PolarHBondContact O-OG 3.09Å; T624-S627 VanDerWaalsContact OG1-CB 3.31Å; T624-S627 WeakPolarHBondContact OG1-CB 3.19Å; T624-A652 WeakPolarHBondContact CA-O 3.48Å; T624-A652 HydrophobicContact CG2-CB 4.41Å; T624-W953 HydrophobicContact CG2-CH2 4.2Å; T624-W953 HydrophobicContact CG2-CZ2 4.3Å; T624-D956 PolarHBondContact OG1-OD1 2.8Å
625	N	97.2	Very high	93.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-73.2	-18.8	-175.4	65.2	-1.2	0	0	0	114.2	Q628 F651 A652 F653 E666 D669 L673	N625-Q628 VanDerWaalsContact O-CG 3.24Å; N625-Q628 WeakPolarHBondContact O-CG 3.28Å; N625-Q628 PolarHBondContact O-NE2 2.91Å; N625-F651 HydrophobicContact CB-CE1 3.72Å; N625-F651 HydrophobicContact CB-CZ 3.65Å; N625-A652 PolarHBondContact N-O 3.14Å; N625-A652 PolarHBondContact OD1-O 3.01Å; N625-F653 PolarHBondContact ND2-O 2.99Å; N625-E666 HydrophobicContact CB-CG 4.09Å; N625-E666 WeakPolarHBondContact ND2-CG 3.37Å; N625-D669 WeakPolarHBondContact CB-OD1 3.46Å; N625-D669 PolarHBondContact ND2-OD1 2.66Å; N625-D669 VanDerWaalsContact ND2-OD1 3.16Å; N625-D669 PolarHBondContact ND2-OD2 3.29Å; N625-L673 HydrophobicContact CB-CD1 3.68Å
626	W	95.1	Very high	95.3	Very high	80 Å²	80	34.3 Å²	34.3	30%	0.303	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-82.4	-12.6	174.1	61.2	86.4	0	0	0	113.6	T624 Q628 Y629 A652 F653 W953	T624-W626 VanDerWaalsContact C-N 3.3Å; T624-W626 VanDerWaalsContact CB-CZ2 3.48Å; T624-W626 HydrophobicContact CG2-CH2 3.61Å; T624-W626 HydrophobicContact CG2-CZ2 3.37Å; T624-W626 HydrophobicContact CG2-CZ3 4.37Å; T624-W626 PolarHBondContact O-N 2.88Å; W626-Q628 PolarHBondContact O-N 2.72Å; W626-Q628 VanDerWaalsContact O-N 3.12Å; W626-Y629 HydrophobicContact CB-CD2 4.1Å; W626-Y629 WeakPolarHBondContact O-CB 3.5Å; W626-Y629 WeakPolarHBondContact O-CD2 3.22Å; W626-Y629 PolarHBondContact O-N 2.59Å; W626-A652 HydrophobicContact CH2-CB 4.29Å; W626-A652 HydrophobicContact CZ3-CB 4.39Å; W626-F653 HydrophobicContact CH2-CD2 4.03Å; W626-F653 AromaticContact CH2-CE2 3.77Å; W626-F653 HydrophobicContact CH2-CE2 3.77Å; W626-F653 AromaticContact CZ3-CD2 3.79Å; W626-F653 HydrophobicContact CZ3-CD2 3.79Å; W626-F653 HydrophobicContact CZ3-CE2 4.04Å; W626-W953 AromaticContact CH2-CH2 3.89Å; W626-W953 HydrophobicContact CH2-CH2 3.89Å; W626-W953 HydrophobicContact CH2-CZ2 4.18Å; W626-W953 HydrophobicContact CZ2-CH2 4.21Å; W626-W953 HydrophobicContact CZ2-CZ2 4.03Å
627	S	97.1	Very high	96.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-62.4	-19.6	177.8	63.4	0	0	0	0	113.5	T624 Y629 R630 Y636 D956	T624-S627 WeakPolarHBondContact O-CB 3.09Å; T624-S627 PolarHBondContact O-N 2.83Å; T624-S627 PolarHBondContact O-OG 3.09Å; T624-S627 VanDerWaalsContact OG1-CB 3.31Å; T624-S627 WeakPolarHBondContact OG1-CB 3.19Å; S627-Y629 PolarHBondContact O-N 3.48Å; S627-Y629 VanDerWaalsContact O-N 3.14Å; S627-R630 PolarHBondContact O-N 3.3Å; S627-Y636 CarbonylContact C-O 3.55Å; S627-Y636 PolarHBondContact O-N 2.85Å; S627-Y636 VanDerWaalsContact O-N 3.09Å; S627-Y636 PolarHBondContact OG-O 2.78Å; S627-D956 VanDerWaalsContact CB-CB 3.43Å
628	Q	97.1	Very high	96.4	Very high	18 Å²	18	31 Å²	31	8%	0.084	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61	-17.3	170.7	73.9	178.7	-57.4	0	0	113.8	N625 W626 K635 Y636 L637 N668	N625-Q628 VanDerWaalsContact O-CG 3.24Å; N625-Q628 WeakPolarHBondContact O-CG 3.28Å; N625-Q628 PolarHBondContact O-NE2 2.91Å; W626-Q628 PolarHBondContact O-N 2.72Å; W626-Q628 VanDerWaalsContact O-N 3.12Å; Q628-K635 WeakPolarHBondContact O-CD 3.3Å; Q628-K635 VanDerWaalsContact O-CE 3.25Å; Q628-K635 WeakPolarHBondContact O-CE 3.26Å; Q628-K635 WeakPolarHBondContact O-CG 3.37Å; Q628-Y636 WeakPolarHBondContact CA-O 3.46Å; Q628-Y636 PolarHBondContact N-O 2.01Å; Q628-L637 HydrophobicContact CB-CD2 3.78Å; Q628-N668 PolarHBondContact NE2-OD1 3.05Å; Q628-N668 PolarHBondContact OE1-ND2 3.41Å; Q628-N668 PolarHBondContact OE1-OD1 2.88Å
629	Y	96.1	Very high	96.4	Very high	106 Å²	106	35.6 Å²	35.6	42%	0.416	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-100.3	-3.2	-178	-53.1	-53.7	0	0	0	113.7	W626 S627 E666 W667	W626-Y629 HydrophobicContact CB-CD2 4.1Å; W626-Y629 WeakPolarHBondContact O-CB 3.5Å; W626-Y629 WeakPolarHBondContact O-CD2 3.22Å; W626-Y629 PolarHBondContact O-N 2.59Å; S627-Y629 PolarHBondContact O-N 3.48Å; S627-Y629 VanDerWaalsContact O-N 3.14Å; Y629-E666 HydrophobicContact CE2-CG 4.46Å; Y629-E666 PolarHBondContact OH-OE2 2.87Å; Y629-W667 PolarHBondContact OH-NE1 2.5Å
630	R	95.3	Very high	96.3	Very high	25 Å²	25	37.2 Å²	37.2	9%	0.094	18%	0.177	C	C	.	.	S	Bend	trans	-62.6	144.3	173.7	-70.1	-168	-172	-63.9	2.3	110.1	S627 G634 K635 Y887 T888 Y897 D956 M957	S627-R630 PolarHBondContact O-N 3.3Å; R630-G634 WeakPolarHBondContact CB-O 3.49Å; R630-G634 VanDerWaalsContact CD-O 3.24Å; R630-G634 WeakPolarHBondContact CD-O 3.44Å; R630-K635 WeakPolarHBondContact O-CB 3.26Å; R630-Y887 PolarHBondContact NH1-O 2.83Å; R630-T888 VanDerWaalsContact NH1-CA 3.31Å; R630-Y897 WeakPolarHBondContact CD-OH 3.31Å; R630-D956 IonicContact CZ-OD2 3.13Å; R630-D956 VanDerWaalsContact CZ-OD2 3.3Å; R630-D956 IonicContact NE-OD2 3.73Å; R630-D956 PolarHBondContact NE-OD2 2.86Å; R630-D956 IonicContact NH2-OD2 2.72Å; R630-D956 PolarHBondContact NH2-OD2 2.81Å; R630-M957 VanDerWaalsContact NH2-CE 3.33Å
631	P	94.2	Very high	96.2	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.123	18%	0.178	C	C	.	.			trans	-71.7	153.2	-178.9	31.2	-36.6	0	0	0	111.9	S633 G634 K886 Y887	P631-S633 PolarHBondContact O-N 2.86Å; P631-G634 PolarHBondContact O-N 3.24Å; P631-K886 WeakPolarHBondContact CG-O 3.44Å; P631-Y887 HydrophobicContact CG-CD1 4.08Å; P631-Y887 WeakPolarHBondContact O-CD1 3.47Å
632	E	92.5	Very high	96	Very high	132 Å²	132	40.2 Å²	40.2	62%	0.617	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	48.9	-132.9	167.9	-58.7	171.8	-156.7	0	0	112.7	G634 K635 K886 Y887	E632-G634 PolarHBondContact O-N 2.73Å; E632-G634 VanDerWaalsContact O-N 3.17Å; E632-K635 WeakPolarHBondContact O-CB 3.43Å; E632-K635 PolarHBondContact O-N 2.84Å; E632-K886 IonicContact OE1-NZ 3.75Å; E632-K886 VanDerWaalsContact OE2-CE 3.23Å; E632-K886 WeakPolarHBondContact OE2-CE 3.38Å; E632-K886 IonicContact OE2-NZ 3.5Å; E632-K886 PolarHBondContact OE2-NZ 2.86Å; E632-Y887 HydrophobicContact CB-CE1 4.16Å
633	S	92.7	Very high	95.7	Very high	68 Å²	68	43 Å²	43	48%	0.476	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-67.7	-7.1	-179.9	-50.7	0	0	0	0	114.4	P631 K635 F960	P631-S633 PolarHBondContact O-N 2.86Å; S633-K635 VanDerWaalsContact C-N 3.34Å; S633-F960 VanDerWaalsContact O-CZ 3.24Å; S633-F960 WeakPolarHBondContact O-CZ 3.46Å
634	G	94.1	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-81	-14	172.8	0	0	0	0	0	113.1	R630 P631 E632 Y636	R630-G634 WeakPolarHBondContact CB-O 3.49Å; R630-G634 VanDerWaalsContact CD-O 3.24Å; R630-G634 WeakPolarHBondContact CD-O 3.44Å; P631-G634 PolarHBondContact O-N 3.24Å; E632-G634 PolarHBondContact O-N 2.73Å; E632-G634 VanDerWaalsContact O-N 3.17Å; G634-Y636 PolarHBondContact O-N 2.81Å
635	K	97.3	Very high	95	Very high	100 Å²	100	43.8 Å²	43.8	44%	0.435	22%	0.215	S	C	.	.			trans	-62.2	125.7	178.2	-178.9	170.4	177.9	176.5	0	111.1	Q628 R630 E632 S633	Q628-K635 WeakPolarHBondContact O-CD 3.3Å; Q628-K635 VanDerWaalsContact O-CE 3.25Å; Q628-K635 WeakPolarHBondContact O-CE 3.26Å; Q628-K635 WeakPolarHBondContact O-CG 3.37Å; R630-K635 WeakPolarHBondContact O-CB 3.26Å; E632-K635 WeakPolarHBondContact O-CB 3.43Å; E632-K635 PolarHBondContact O-N 2.84Å; S633-K635 VanDerWaalsContact C-N 3.34Å
636	Y	97.8	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.			trans	-119.1	135	178.8	-165.6	-92.2	0	0	0	111.6	F623 S627 Q628 G634 N640 L955 D956 F960 Y974	F623-Y636 HydrophobicContact CD2-CD1 4.13Å; F623-Y636 AromaticContact CD2-CE1 3.67Å; F623-Y636 HydrophobicContact CD2-CE1 3.67Å; F623-Y636 AromaticContact CE2-CD1 3.71Å; F623-Y636 HydrophobicContact CE2-CD1 3.71Å; F623-Y636 AromaticContact CE2-CE1 3.58Å; F623-Y636 HydrophobicContact CE2-CE1 3.58Å; F623-Y636 HydrophobicContact CZ-CD1 4.47Å; S627-Y636 CarbonylContact C-O 3.55Å; S627-Y636 PolarHBondContact O-N 2.85Å; S627-Y636 VanDerWaalsContact O-N 3.09Å; S627-Y636 PolarHBondContact OG-O 2.78Å; Q628-Y636 WeakPolarHBondContact CA-O 3.46Å; Q628-Y636 PolarHBondContact N-O 2.01Å; G634-Y636 PolarHBondContact O-N 2.81Å; Y636-N640 HydrophobicContact CD2-CB 3.79Å; Y636-N640 HydrophobicContact CE2-CB 3.53Å; Y636-N640 HydrophobicContact CG-CB 4.44Å; Y636-L955 HydrophobicContact CE1-CB 3.96Å; Y636-L955 HydrophobicContact CE2-CB 4.43Å; Y636-D956 HydrophobicContact CD1-CB 4.11Å; Y636-D956 HydrophobicContact CD2-CB 4.21Å; Y636-D956 HydrophobicContact CG-CB 3.73Å; Y636-F960 HydrophobicContact CD2-CB 4.13Å; Y636-F960 AromaticContact CD2-CD1 3.57Å; Y636-F960 HydrophobicContact CD2-CD1 3.57Å; Y636-F960 AromaticContact CD2-CD2 3.63Å; Y636-F960 HydrophobicContact CD2-CD2 3.63Å; Y636-F960 AromaticContact CD2-CE1 3.78Å; Y636-F960 HydrophobicContact CD2-CE1 3.78Å; Y636-F960 AromaticContact CD2-CE2 3.83Å; Y636-F960 HydrophobicContact CD2-CE2 3.83Å; Y636-F960 AromaticContact CD2-CG 3.5Å; Y636-F960 HydrophobicContact CD2-CG 3.5Å; Y636-F960 AromaticContact CD2-CZ 3.91Å; Y636-F960 HydrophobicContact CD2-CZ 3.91Å; Y636-F960 HydrophobicContact CE2-CB 3.71Å; Y636-F960 HydrophobicContact CE2-CD1 4.01Å; Y636-F960 AromaticContact CE2-CD2 3.93Å; Y636-F960 HydrophobicContact CE2-CD2 3.93Å; Y636-F960 AromaticContact CE2-CG 3.62Å; Y636-F960 HydrophobicContact CE2-CG 3.62Å; Y636-Y974 HydrophobicContact CE2-CE1 4.04Å; Y636-Y974 WeakPolarHBondContact CE2-OH 3.18Å; Y636-Y974 VanDerWaalsContact CZ-OH 3.32Å; Y636-Y974 PolarHBondContact OH-OH 2.82Å
637	L	97.6	Very high	94.9	Very high	46 Å²	46	41.2 Å²	41.2	24%	0.241	21%	0.207	C	C	.	.			trans	-136.6	163.5	180	-65.4	173.7	0	0	0	109.5	Q628 E639 N640 L673	Q628-L637 HydrophobicContact CB-CD2 3.78Å; L637-E639 WeakPolarHBondContact CB-OE2 3.15Å; L637-E639 PolarHBondContact O-N 3.22Å; L637-N640 PolarHBondContact N-OD1 3.42Å; L637-N640 WeakPolarHBondContact O-CB 3.48Å; L637-N640 PolarHBondContact O-N 3.27Å; L637-N640 PolarHBondContact O-OD1 2.97Å; L637-L673 HydrophobicContact CD2-CD2 4.42Å
638	P	96.4	Very high	94.9	Very high	3 Å²	3	43 Å²	43	2%	0.019	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-53.8	-30.3	178.9	-27.5	37.1	0	0	0	113.9	F623 N640 Y641 L673 I677	F623-P638 HydrophobicContact CE2-CG 4.07Å; F623-P638 HydrophobicContact CZ-CG 3.86Å; P638-N640 PolarHBondContact O-N 2.78Å; P638-Y641 WeakPolarHBondContact O-CB 3.45Å; P638-Y641 PolarHBondContact O-N 3.24Å; P638-L673 HydrophobicContact CG-CD2 4.13Å; P638-I677 HydrophobicContact CB-CD1 4.37Å; P638-I677 HydrophobicContact CG-CD1 4.37Å; P638-I677 HydrophobicContact CG-CG1 4.31Å
639	E	94.8	Very high	95	Very high	120 Å²	120	42.2 Å²	42.2	56%	0.561	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-66.6	-18.7	178.7	-61.2	73.1	-155.6	0	0	113.6	L637 Y641	L637-E639 WeakPolarHBondContact CB-OE2 3.15Å; L637-E639 PolarHBondContact O-N 3.22Å; E639-Y641 VanDerWaalsContact C-N 3.29Å
640	N	95.8	Very high	95.1	Very high	58 Å²	58	37.1 Å²	37.1	31%	0.31	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-74.4	-20.1	176.7	-63.7	112.4	0	0	0	112.7	Y636 L637 P638 F960 Y974	Y636-N640 HydrophobicContact CD2-CB 3.79Å; Y636-N640 HydrophobicContact CE2-CB 3.53Å; Y636-N640 HydrophobicContact CG-CB 4.44Å; L637-N640 PolarHBondContact N-OD1 3.42Å; L637-N640 WeakPolarHBondContact O-CB 3.48Å; L637-N640 PolarHBondContact O-N 3.27Å; L637-N640 PolarHBondContact O-OD1 2.97Å; P638-N640 PolarHBondContact O-N 2.78Å; N640-F960 HydrophobicContact CB-CD2 4.26Å; N640-Y974 PolarHBondContact O-OH 2.8Å
641	Y	96.1	Very high	95.3	Very high	5 Å²	5	36 Å²	36	2%	0.02	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-63.3	136.5	-177.7	-177.3	-100.1	0	0	0	112.6	P638 E639 L645 C646 I649 L680 L687 L955 Y974	P638-Y641 WeakPolarHBondContact O-CB 3.45Å; P638-Y641 PolarHBondContact O-N 3.24Å; E639-Y641 VanDerWaalsContact C-N 3.29Å; Y641-L645 HydrophobicContact CD2-CD1 4.4Å; Y641-L645 HydrophobicContact CE2-CB 4.03Å; Y641-L645 HydrophobicContact CE2-CD1 4.26Å; Y641-C646 PolarHBondContact OH-N 3.12Å; Y641-C646 VanDerWaalsContact OH-N 3.15Å; Y641-C646 PolarHBondContact OH-O 3.16Å; Y641-I649 HydrophobicContact CD2-CD1 4.04Å; Y641-I649 HydrophobicContact CE1-CD1 4.26Å; Y641-I649 HydrophobicContact CE2-CD1 3.75Å; Y641-I649 HydrophobicContact CE2-CG1 4.28Å; Y641-I649 HydrophobicContact CG-CD1 4.42Å; Y641-L680 HydrophobicContact CD1-CD1 3.78Å; Y641-L680 HydrophobicContact CD1-CD2 4.05Å; Y641-L680 HydrophobicContact CD1-CG 4.36Å; Y641-L680 HydrophobicContact CE1-CD1 4.46Å; Y641-L680 HydrophobicContact CG-CD1 3.91Å; Y641-L687 HydrophobicContact CE1-CD2 4.3Å; Y641-L955 HydrophobicContact CD2-CD1 4.07Å; Y641-L955 HydrophobicContact CD2-CD2 4.42Å; Y641-L955 HydrophobicContact CE2-CD1 4.42Å; Y641-Y974 WeakPolarHBondContact CA-OH 3.34Å
642	E	93.2	Very high	95.5	Very high	58 Å²	58	35 Å²	35	27%	0.271	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-100.8	133.1	175	-173.4	-175	125.2	0	0	110.4	L645 Y974 R978 K981	E642-L645 HydrophobicContact CB-CD1 3.74Å; E642-L645 HydrophobicContact CB-CG 3.96Å; E642-L645 VanDerWaalsContact O-CG 3.28Å; E642-L645 WeakPolarHBondContact O-CG 3.32Å; E642-L645 PolarHBondContact O-N 2.87Å; E642-Y974 HydrophobicContact CB-CD2 4.38Å; E642-Y974 HydrophobicContact CB-CE2 4.11Å; E642-R978 IonicContact OE2-NH2 3.23Å; E642-K981 IonicContact OE1-NZ 3.93Å
643	D	91.9	Very high	95.7	Very high	59 Å²	59	29.5 Å²	29.5	32%	0.316	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	143.8	-175	-58.2	-34.6	0	0	0	111.5	L645 R683	D643-L645 VanDerWaalsContact C-N 3.25Å; D643-L645 PolarHBondContact O-N 2.93Å; D643-R683 WeakPolarHBondContact OD1-CB 3.46Å; D643-R683 IonicContact OD1-CZ 2.86Å; D643-R683 VanDerWaalsContact OD1-CZ 3.23Å; D643-R683 IonicContact OD1-NE 2.69Å; D643-R683 PolarHBondContact OD1-NE 3.35Å; D643-R683 VanDerWaalsContact OD1-NE 3.13Å; D643-R683 IonicContact OD1-NH2 3.62Å; D643-R683 PolarHBondContact OD1-NH2 3.48Å; D643-R683 IonicContact OD2-CZ 2.86Å; D643-R683 IonicContact OD2-NE 3.44Å; D643-R683 PolarHBondContact OD2-NE 2.96Å; D643-R683 IonicContact OD2-NH2 3.38Å; D643-R683 PolarHBondContact OD2-NH2 2.91Å
644	G	89.8	Confident	96	Very high	21 Å²	21	26.2 Å²	26.2	22%	0.216	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	8.3	-179.6	0	0	0	0	0	115.9	R619 D684 K981	R619-G644 PolarHBondContact NH1-O 2.99Å; R619-G644 PolarHBondContact NH2-O 3.17Å; G644-D684 WeakPolarHBondContact CA-OD2 3.19Å; G644-D684 PolarHBondContact N-OD2 2.81Å; G644-D684 VanDerWaalsContact N-OD2 3.11Å; G644-K981 WeakPolarHBondContact O-CE 3.43Å
645	L	92.2	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-62.3	-47.1	170.9	-77.3	176.4	0	0	0	111.8	R619 Y641 E642 D643 Y974 R978	R619-L645 PolarHBondContact NH1-O 3.02Å; Y641-L645 HydrophobicContact CD2-CD1 4.4Å; Y641-L645 HydrophobicContact CE2-CB 4.03Å; Y641-L645 HydrophobicContact CE2-CD1 4.26Å; E642-L645 HydrophobicContact CB-CD1 3.74Å; E642-L645 HydrophobicContact CB-CG 3.96Å; E642-L645 VanDerWaalsContact O-CG 3.28Å; E642-L645 WeakPolarHBondContact O-CG 3.32Å; E642-L645 PolarHBondContact O-N 2.87Å; D643-L645 VanDerWaalsContact C-N 3.25Å; D643-L645 PolarHBondContact O-N 2.93Å; L645-Y974 HydrophobicContact CD1-CD1 4.07Å; L645-Y974 HydrophobicContact CD1-CD2 3.57Å; L645-Y974 HydrophobicContact CD1-CE1 4.19Å; L645-Y974 HydrophobicContact CD1-CE2 3.72Å; L645-Y974 HydrophobicContact CD1-CG 3.75Å; L645-R978 HydrophobicContact CD2-CB 3.96Å; L645-R978 HydrophobicContact CD2-CG 4.04Å
646	C	95.1	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.			trans	-135.3	146.8	-171.3	-30.2	0	0	0	0	110.3	R619 C621 Y641	R619-C646 CarbonylContact O-C 3.53Å; R619-C646 WeakPolarHBondContact O-CB 3.29Å; C621-C646 HydrophobicContact CB-CB 3.71Å; C621-C646 WeakPolarHBondContact CB-SG 3.29Å; C621-C646 WeakPolarHBondContact SG-CB 3.3Å; C621-C646 CovalentContact SG-SG 2Å; C621-C646 PolarHBondContact SG-SG 3.45Å; Y641-C646 PolarHBondContact OH-N 3.12Å; Y641-C646 VanDerWaalsContact OH-N 3.15Å; Y641-C646 PolarHBondContact OH-O 3.16Å
647	D	95.2	Very high	96	Very high	26 Å²	26	29.4 Å²	29.4	14%	0.139	14%	0.143	C	C	.	.	S	Bend	trans	-84	-23.6	172.4	-51.9	-56.1	0	0	0	111.2	R619 K688	R619-D647 WeakPolarHBondContact CB-OD2 3.49Å; R619-D647 WeakPolarHBondContact CG-OD2 3.42Å; R619-D647 IonicContact CZ-OD1 3.76Å; R619-D647 IonicContact CZ-OD2 3.68Å; R619-D647 PolarHBondContact N-OD2 3.33Å; R619-D647 IonicContact NE-OD1 3.89Å; R619-D647 PolarHBondContact NE-OD1 3.39Å; R619-D647 IonicContact NE-OD2 2.96Å; R619-D647 PolarHBondContact NE-OD2 3.3Å; R619-D647 IonicContact NH2-OD1 2.81Å; R619-D647 PolarHBondContact NH2-OD1 3.01Å; R619-D647 IonicContact NH2-OD2 3.19Å; R619-D647 PolarHBondContact O-N 3.09Å; D647-K688 PolarHBondContact O-N 2.9Å
648	Y	97.9	Very high	95.8	Very high	39 Å²	39	33.6 Å²	33.6	15%	0.153	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.6	-179.6	-58.9	-98.9	0	0	0	111	I618 R619 G620 C621 K688 L690 L772 F799	I618-Y648 HydrophobicContact CB-CE2 4.35Å; I618-Y648 HydrophobicContact CG1-CE2 3.92Å; I618-Y648 HydrophobicContact CG2-CD2 3.69Å; I618-Y648 HydrophobicContact CG2-CE2 3.88Å; R619-Y648 PolarHBondContact O-N 3.12Å; R619-Y648 VanDerWaalsContact O-N 3.07Å; G620-Y648 CarbonylContact C-O 3.41Å; G620-Y648 WeakPolarHBondContact CA-O 3.29Å; C621-Y648 PolarHBondContact N-O 3.38Å; Y648-K688 CarbonylContact C-O 3.55Å; Y648-K688 VanDerWaalsContact CA-O 3.27Å; Y648-K688 WeakPolarHBondContact CA-O 3.4Å; Y648-K688 HydrophobicContact CD1-CB 3.78Å; Y648-K688 HydrophobicContact CD1-CD 4.11Å; Y648-K688 HydrophobicContact CE1-CB 3.98Å; Y648-K688 HydrophobicContact CE1-CD 3.42Å; Y648-K688 VanDerWaalsContact CE1-CD 3.42Å; Y648-K688 HydrophobicContact CE1-CG 4.33Å; Y648-L690 HydrophobicContact CD1-CD1 3.82Å; Y648-L772 HydrophobicContact CD1-CD1 4.18Å; Y648-L772 HydrophobicContact CE1-CD1 3.58Å; Y648-F799 HydrophobicContact CD1-CE1 4.49Å; Y648-F799 HydrophobicContact CD1-CZ 4.27Å; Y648-F799 HydrophobicContact CE1-CE1 4.17Å; Y648-F799 HydrophobicContact CE1-CZ 4.41Å; Y648-F799 HydrophobicContact CG-CZ 4.48Å
649	I	98.4	Very high	95.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.6	165.7	-72.2	170.4	0	0	0	109.3	C621 F623 Y641 I677 L680 L687 K688 T689 L690	C621-I649 CarbonylContact O-C 3.58Å; C621-I649 VanDerWaalsContact O-CA 3.3Å; C621-I649 WeakPolarHBondContact O-CA 3.34Å; F623-I649 HydrophobicContact CB-CG2 3.92Å; Y641-I649 HydrophobicContact CD2-CD1 4.04Å; Y641-I649 HydrophobicContact CE1-CD1 4.26Å; Y641-I649 HydrophobicContact CE2-CD1 3.75Å; Y641-I649 HydrophobicContact CE2-CG1 4.28Å; Y641-I649 HydrophobicContact CG-CD1 4.42Å; I649-I677 HydrophobicContact CG2-CD1 4.38Å; I649-L680 HydrophobicContact CD1-CD1 3.77Å; I649-L687 HydrophobicContact CB-CD1 4.44Å; I649-L687 HydrophobicContact CD1-CD1 3.94Å; I649-L687 HydrophobicContact CD1-CD2 3.89Å; I649-L687 HydrophobicContact CD1-CG 4.48Å; I649-L687 HydrophobicContact CG1-CD1 3.87Å; I649-K688 PolarHBondContact N-O 3.1Å; I649-T689 HydrophobicContact CB-CG2 4.49Å; I649-T689 CarbonylContact O-C 3.47Å; I649-T689 WeakPolarHBondContact O-CA 3.38Å; I649-L690 PolarHBondContact O-N 3.16Å
650	F	98.7	Very high	96	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109.7	173	-57.7	-86	0	0	0	108.5	C621 Y622 F623 A652 L690 D733 F799 N801	C621-F650 PolarHBondContact O-N 3.08Å; Y622-F650 WeakPolarHBondContact CA-O 3.45Å; Y622-F650 HydrophobicContact CD1-CB 3.55Å; Y622-F650 HydrophobicContact CD1-CG 4.48Å; Y622-F650 HydrophobicContact CD2-CB 4.15Å; Y622-F650 HydrophobicContact CD2-CD2 4.12Å; Y622-F650 HydrophobicContact CD2-CG 4.39Å; Y622-F650 HydrophobicContact CE1-CB 3.5Å; Y622-F650 VanDerWaalsContact CE1-CB 3.5Å; Y622-F650 HydrophobicContact CE1-CG 4.14Å; Y622-F650 HydrophobicContact CE2-CB 4.1Å; Y622-F650 AromaticContact CE2-CD2 3.92Å; Y622-F650 HydrophobicContact CE2-CD2 3.92Å; Y622-F650 HydrophobicContact CE2-CG 4.04Å; Y622-F650 HydrophobicContact CG-CB 3.89Å; Y622-F650 AromaticContact CZ-CG 3.9Å; F623-F650 PolarHBondContact N-O 3.45Å; F650-A652 PolarHBondContact O-N 2.81Å; F650-L690 WeakPolarHBondContact CA-O 3.42Å; F650-L690 HydrophobicContact CD1-CB 4.03Å; F650-L690 HydrophobicContact CD1-CD2 4.43Å; F650-L690 HydrophobicContact CE1-CB 4.39Å; F650-L690 HydrophobicContact CE1-CD2 4Å; F650-D733 HydrophobicContact CD1-CB 3.89Å; F650-D733 HydrophobicContact CE1-CB 4.4Å; F650-F799 HydrophobicContact CE1-CE2 4.25Å; F650-F799 HydrophobicContact CE1-CZ 4.37Å; F650-F799 AromaticContact CZ-CE2 3.75Å; F650-F799 HydrophobicContact CZ-CE2 3.75Å; F650-F799 AromaticContact CZ-CZ 3.87Å; F650-F799 HydrophobicContact CZ-CZ 3.87Å; F650-N801 VanDerWaalsContact CE1-ND2 3.3Å; F650-N801 WeakPolarHBondContact CE1-ND2 3.49Å; F650-N801 WeakPolarHBondContact CZ-ND2 3.17Å
651	F	98.7	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.4	179	-169	-77.4	0	0	0	110.5	F623 N625 D669 L673 Y674 I677 L690 L691 S692 F729	F623-F651 AromaticContact CD1-CD2 3.56Å; F623-F651 HydrophobicContact CD1-CD2 3.56Å; F623-F651 AromaticContact CD1-CE2 3.49Å; F623-F651 HydrophobicContact CD1-CE2 3.49Å; F623-F651 VanDerWaalsContact CD1-CE2 3.49Å; F623-F651 HydrophobicContact CD1-CG 4.42Å; F623-F651 HydrophobicContact CD1-CZ 4.25Å; F623-F651 HydrophobicContact CE1-CD2 4.09Å; F623-F651 AromaticContact CE1-CE2 3.51Å; F623-F651 HydrophobicContact CE1-CE2 3.51Å; F623-F651 HydrophobicContact CE1-CZ 4.13Å; F623-F651 HydrophobicContact CG-CD2 4.37Å; N625-F651 HydrophobicContact CB-CE1 3.72Å; N625-F651 HydrophobicContact CB-CZ 3.65Å; F651-D669 WeakPolarHBondContact CE1-OD1 3.41Å; F651-D669 WeakPolarHBondContact CZ-OD1 3.34Å; F651-L673 HydrophobicContact CE2-CB 3.88Å; F651-L673 HydrophobicContact CZ-CB 3.81Å; F651-L673 HydrophobicContact CZ-CD1 4.01Å; F651-Y674 HydrophobicContact CD1-CD1 4.4Å; F651-Y674 AromaticContact CD1-CE1 3.78Å; F651-Y674 HydrophobicContact CD1-CE1 3.78Å; F651-Y674 HydrophobicContact CD2-CD1 4.45Å; F651-Y674 HydrophobicContact CE1-CD1 4.06Å; F651-Y674 AromaticContact CE1-CE1 3.44Å; F651-Y674 HydrophobicContact CE1-CE1 3.44Å; F651-Y674 VanDerWaalsContact CE1-CE1 3.44Å; F651-Y674 HydrophobicContact CE2-CD1 4.05Å; F651-Y674 HydrophobicContact CE2-CE1 4.26Å; F651-Y674 HydrophobicContact CG-CE1 4.35Å; F651-Y674 AromaticContact CZ-CD1 3.83Å; F651-Y674 HydrophobicContact CZ-CD1 3.83Å; F651-Y674 AromaticContact CZ-CE1 3.67Å; F651-Y674 HydrophobicContact CZ-CE1 3.67Å; F651-I677 HydrophobicContact CD2-CD1 4.15Å; F651-I677 HydrophobicContact CD2-CG1 3.72Å; F651-I677 HydrophobicContact CE2-CD1 4.49Å; F651-I677 HydrophobicContact CE2-CG1 3.88Å; F651-L690 PolarHBondContact N-O 3.14Å; F651-L691 HydrophobicContact CB-CD1 4.22Å; F651-L691 HydrophobicContact CD1-CD1 3.96Å; F651-L691 HydrophobicContact CG-CD1 4.41Å; F651-S692 WeakPolarHBondContact O-CA 3.39Å; F651-S692 VanDerWaalsContact O-CB 3.29Å; F651-S692 WeakPolarHBondContact O-CB 3.44Å; F651-S692 PolarHBondContact O-N 3.29Å; F651-S692 PolarHBondContact O-OG 2.59Å; F651-F729 HydrophobicContact CB-CE1 3.83Å; F651-F729 HydrophobicContact CB-CZ 4.04Å; F651-F729 HydrophobicContact CG-CE1 4.48Å; F651-F729 HydrophobicContact CG-CZ 4.24Å
652	A	98.3	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118	179	0	0	0	0	0	110.9	Y622 F623 T624 N625 W626 F650 W953	Y622-A652 HydrophobicContact CD1-CB 4.18Å; F623-A652 WeakPolarHBondContact O-CB 3.33Å; F623-A652 PolarHBondContact O-N 2.82Å; T624-A652 WeakPolarHBondContact CA-O 3.48Å; T624-A652 HydrophobicContact CG2-CB 4.41Å; N625-A652 PolarHBondContact N-O 3.14Å; N625-A652 PolarHBondContact OD1-O 3.01Å; W626-A652 HydrophobicContact CH2-CB 4.29Å; W626-A652 HydrophobicContact CZ3-CB 4.39Å; F650-A652 PolarHBondContact O-N 2.81Å; A652-W953 HydrophobicContact CB-CH2 4.34Å; A652-W953 HydrophobicContact CB-CZ3 4.22Å
653	F	98	Very high	96.4	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.066	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-138.1	158.9	-8.9	-62.9	-79.6	0	0	0	110.9	N625 W626 F665 S692 D735 W953	N625-F653 PolarHBondContact ND2-O 2.99Å; W626-F653 HydrophobicContact CH2-CD2 4.03Å; W626-F653 AromaticContact CH2-CE2 3.77Å; W626-F653 HydrophobicContact CH2-CE2 3.77Å; W626-F653 AromaticContact CZ3-CD2 3.79Å; W626-F653 HydrophobicContact CZ3-CD2 3.79Å; W626-F653 HydrophobicContact CZ3-CE2 4.04Å; F653-F665 WeakPolarHBondContact O-CB 3.42Å; F653-S692 CarbonylContact C-O 3.52Å; F653-S692 WeakPolarHBondContact CA-O 3.48Å; F653-D735 HydrophobicContact CE1-CB 4.16Å; F653-D735 WeakPolarHBondContact CE1-OD2 3.29Å; F653-W953 AromaticContact CE2-CH2 3.83Å; F653-W953 HydrophobicContact CE2-CH2 3.83Å; F653-W953 HydrophobicContact CE2-CZ3 4.4Å; F653-W953 AromaticContact CZ-CH2 3.69Å; F653-W953 HydrophobicContact CZ-CH2 3.69Å; F653-W953 AromaticContact CZ-CZ3 3.83Å; F653-W953 HydrophobicContact CZ-CZ3 3.83Å
654	A	98.2	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	170.7	158.4	0	0	0	0	0	111.2	I662 L691 S692 I693	A654-I662 HydrophobicContact CB-CD1 3.9Å; A654-I662 HydrophobicContact CB-CG1 3.93Å; A654-L691 HydrophobicContact CB-CD1 3.93Å; A654-L691 HydrophobicContact CB-CD2 3.82Å; A654-L691 HydrophobicContact CB-CG 3.8Å; A654-S692 PolarHBondContact N-O 3.18Å; A654-I693 HydrophobicContact CB-CB 4.3Å; A654-I693 HydrophobicContact CB-CG1 4.38Å
655	W	96.7	Very high	96.9	Very high	73 Å²	73	34.9 Å²	34.9	28%	0.277	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	170.6	175.5	-161.8	-109.6	0	0	0	112.3	I662 T663 F665 F698	W655-I662 CarbonylContact O-C 3.59Å; W655-I662 WeakPolarHBondContact O-CA 3.3Å; W655-T663 HydrophobicContact CB-CG2 3.88Å; W655-T663 PolarHBondContact N-O 3.42Å; W655-T663 PolarHBondContact O-N 3.01Å; W655-F665 HydrophobicContact CB-CB 4.31Å; W655-F665 HydrophobicContact CB-CD2 4.04Å; W655-F665 AromaticContact CD2-CD2 3.69Å; W655-F665 HydrophobicContact CD2-CD2 3.69Å; W655-F665 AromaticContact CD2-CE2 3.95Å; W655-F665 HydrophobicContact CD2-CE2 3.95Å; W655-F665 AromaticContact CE3-CD2 3.2Å; W655-F665 HydrophobicContact CE3-CD2 3.2Å; W655-F665 AromaticContact CE3-CE2 3.3Å; W655-F665 HydrophobicContact CE3-CE2 3.3Å; W655-F665 HydrophobicContact CE3-CG 4.44Å; W655-F665 HydrophobicContact CG-CD2 4.06Å; W655-F665 HydrophobicContact CH2-CE2 4.13Å; W655-F665 AromaticContact CZ3-CD2 3.84Å; W655-F665 HydrophobicContact CZ3-CD2 3.84Å; W655-F665 AromaticContact CZ3-CE2 3.4Å; W655-F665 HydrophobicContact CZ3-CE2 3.4Å; W655-F665 HydrophobicContact CZ3-CZ 4.46Å; W655-F698 AromaticContact CD2-CD2 3.96Å; W655-F698 HydrophobicContact CD2-CD2 3.96Å; W655-F698 AromaticContact CD2-CE2 3.92Å; W655-F698 HydrophobicContact CD2-CE2 3.92Å; W655-F698 AromaticContact CE3-CD2 3.32Å; W655-F698 HydrophobicContact CE3-CD2 3.32Å; W655-F698 AromaticContact CE3-CE2 3.76Å; W655-F698 HydrophobicContact CE3-CE2 3.76Å; W655-F698 HydrophobicContact CE3-CG 4.41Å; W655-F698 HydrophobicContact CG-CE2 4.5Å; W655-F698 HydrophobicContact CH2-CB 4.48Å; W655-F698 AromaticContact CH2-CD2 3.86Å; W655-F698 HydrophobicContact CH2-CD2 3.86Å; W655-F698 HydrophobicContact CH2-CE2 4.48Å; W655-F698 HydrophobicContact CH2-CG 4.35Å; W655-F698 HydrophobicContact CZ2-CD2 4.4Å; W655-F698 HydrophobicContact CZ3-CB 4.01Å; W655-F698 AromaticContact CZ3-CD2 3.28Å; W655-F698 HydrophobicContact CZ3-CD2 3.28Å; W655-F698 HydrophobicContact CZ3-CE2 4.07Å; W655-F698 AromaticContact CZ3-CG 3.98Å; W655-F698 HydrophobicContact CZ3-CG 3.98Å
656	M	96.7	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.9	176.3	-166.7	-172.4	-66.1	0	0	110.3	F660 I693 F698 K702 F703 M706 F716	M656-F660 HydrophobicContact SD-CB 4.39Å; M656-F660 HydrophobicContact SD-CD1 4.13Å; M656-I693 HydrophobicContact CB-CD1 4.2Å; M656-I693 HydrophobicContact CE-CD1 4.09Å; M656-F698 HydrophobicContact CB-CE2 3.93Å; M656-F698 HydrophobicContact CB-CZ 3.63Å; M656-F698 HydrophobicContact CE-CZ 4.31Å; M656-K702 WeakPolarHBondContact O-CE 3.19Å; M656-K702 PolarHBondContact O-NZ 3.22Å; M656-K702 HydrophobicContact SD-CB 4.25Å; M656-F703 HydrophobicContact CE-CD1 4.29Å; M656-F703 HydrophobicContact CE-CE1 4.27Å; M656-M706 HydrophobicContact CE-CB 4.29Å; M656-M706 HydrophobicContact CE-CE 3.77Å; M656-M706 HydrophobicContact CE-CG 4.18Å; M656-M706 HydrophobicContact SD-CB 3.87Å; M656-M706 HydrophobicContact SD-CG 4.04Å; M656-F716 HydrophobicContact CE-CD2 3.85Å; M656-F716 HydrophobicContact CE-CE2 3.76Å; M656-F716 HydrophobicContact CE-CZ 4.36Å
657	K	96.2	Very high	97.2	Very high	93 Å²	93	45.5 Å²	45.5	40%	0.404	21%	0.211	S	C	.	.			trans	-63.4	164.9	172.6	-62	-175.7	-169.9	170	0	110.8	T659 F660 E661 T663	K657-T659 WeakPolarHBondContact CB-OG1 3.4Å; K657-T659 PolarHBondContact O-N 2.98Å; K657-F660 WeakPolarHBondContact O-CA 3.5Å; K657-F660 PolarHBondContact O-N 3.46Å; K657-E661 HydrophobicContact CD-CB 4.3Å; K657-E661 PolarHBondContact N-O 2.93Å; K657-E661 IonicContact NZ-OE2 2.63Å; K657-T663 HydrophobicContact CG-CG2 3.8Å
658	D	93.8	Very high	97.3	Very high	135 Å²	135	44.7 Å²	44.7	72%	0.722	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.2	173.9	-64.8	-30.6	0	0	0	112.6	F660 K702	D658-F660 PolarHBondContact O-N 2.84Å; D658-K702 IonicContact OD1-NZ 3.91Å; D658-K702 PolarHBondContact OD1-NZ 3.15Å
659	T	96.6	Very high	97.3	Very high	77 Å²	77	42.8 Å²	42.8	47%	0.472	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.3	170.2	54.3	0	0	0	0	113.6	K657 E661 T715	K657-T659 WeakPolarHBondContact CB-OG1 3.4Å; K657-T659 PolarHBondContact O-N 2.98Å; T659-E661 PolarHBondContact O-N 3.35Å; T659-E661 PolarHBondContact OG1-OE2 3.23Å; T659-T715 WeakPolarHBondContact O-CG2 3.04Å
660	F	97.5	Very high	97.2	Very high	32 Å²	32	45.3 Å²	45.3	14%	0.14	21%	0.212	C	C	.	.	S	Bend	trans	66.9	5.6	-174.8	-44.4	-60	0	0	0	115.7	M656 K657 D658 T705 M706 N712 F716	M656-F660 HydrophobicContact SD-CB 4.39Å; M656-F660 HydrophobicContact SD-CD1 4.13Å; K657-F660 WeakPolarHBondContact O-CA 3.5Å; K657-F660 PolarHBondContact O-N 3.46Å; D658-F660 PolarHBondContact O-N 2.84Å; F660-T705 HydrophobicContact CE1-CG2 3.82Å; F660-T705 HydrophobicContact CZ-CG2 3.61Å; F660-M706 HydrophobicContact CB-CB 4.46Å; F660-M706 HydrophobicContact CB-CG 4Å; F660-M706 HydrophobicContact CD1-CB 3.69Å; F660-M706 HydrophobicContact CD1-CG 4.17Å; F660-M706 HydrophobicContact CE1-CB 4.25Å; F660-M706 HydrophobicContact CG-CB 4.19Å; F660-M706 HydrophobicContact CG-CG 4.2Å; F660-N712 HydrophobicContact CD2-CB 3.86Å; F660-N712 HydrophobicContact CE2-CB 3.94Å; F660-N712 WeakPolarHBondContact CE2-ND2 3.38Å; F660-N712 WeakPolarHBondContact CE2-OD1 3.45Å; F660-N712 HydrophobicContact CG-CB 4.48Å; F660-F716 HydrophobicContact CB-CB 4.41Å; F660-F716 WeakPolarHBondContact O-CA 3.49Å; F660-F716 WeakPolarHBondContact O-CB 3.03Å; F660-F716 WeakPolarHBondContact O-CD2 3.34Å
661	E	98.4	Very high	97	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	24%	0.239	S	C	.	.			trans	-75.2	138.5	173.8	-61	172.9	134.1	0	0	111.2	K657 T659 T715 S719	K657-E661 HydrophobicContact CD-CB 4.3Å; K657-E661 PolarHBondContact N-O 2.93Å; K657-E661 IonicContact NZ-OE2 2.63Å; T659-E661 PolarHBondContact O-N 3.35Å; T659-E661 PolarHBondContact OG1-OE2 3.23Å; E661-T715 HydrophobicContact CG-CG2 4.25Å; E661-S719 WeakPolarHBondContact CA-OG 3.37Å
662	I	98.4	Very high	96.9	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146.7	172.1	-167.4	166.3	0	0	0	111.1	A654 W655 L691 I693 S719 V720 Y723 L732	A654-I662 HydrophobicContact CB-CD1 3.9Å; A654-I662 HydrophobicContact CB-CG1 3.93Å; W655-I662 CarbonylContact O-C 3.59Å; W655-I662 WeakPolarHBondContact O-CA 3.3Å; I662-L691 HydrophobicContact CD1-CD2 3.87Å; I662-I693 HydrophobicContact CD1-CD1 4.16Å; I662-I693 HydrophobicContact CG1-CD1 4.1Å; I662-S719 PolarHBondContact N-OG 3.28Å; I662-V720 HydrophobicContact CB-CG2 4.28Å; I662-V720 HydrophobicContact CD1-CG2 4.17Å; I662-V720 HydrophobicContact CG2-CG2 4.3Å; I662-Y723 HydrophobicContact CD1-CD1 4.41Å; I662-Y723 HydrophobicContact CG1-CD1 4.37Å; I662-Y723 HydrophobicContact CG2-CD1 4.09Å; I662-Y723 HydrophobicContact CG2-CD2 4.02Å; I662-Y723 HydrophobicContact CG2-CG 3.57Å; I662-L732 HydrophobicContact CD1-CD1 4.47Å
663	T	98.1	Very high	96.9	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.16	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	170.3	179.2	-164.8	0	0	0	0	110.7	W655 K657	W655-T663 HydrophobicContact CB-CG2 3.88Å; W655-T663 PolarHBondContact N-O 3.42Å; W655-T663 PolarHBondContact O-N 3.01Å; K657-T663 HydrophobicContact CG-CG2 3.8Å
664	N	97.4	Very high	96.9	Very high	41 Å²	41	53.3 Å²	53.3	22%	0.219	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	152	171.7	57	-57.8	0	0	0	111.8	E666 D669 I670 Y723	N664-E666 PolarHBondContact ND2-O 3.27Å; N664-D669 HydrophobicContact CB-CB 3.64Å; N664-I670 HydrophobicContact CB-CD1 4.25Å; N664-I670 HydrophobicContact CB-CG1 4.1Å; N664-Y723 WeakPolarHBondContact CA-OH 3.36Å; N664-Y723 WeakPolarHBondContact CB-OH 3.41Å; N664-Y723 PolarHBondContact N-OH 3.14Å
665	F	95.1	Very high	96.8	Very high	87 Å²	87	58.3 Å²	58.3	38%	0.382	28%	0.279	S	S	.	.	S	Bend	trans	-92.1	-50.5	173.2	-173.7	-102.9	0	0	0	110.5	F653 W655 D669	F653-F665 WeakPolarHBondContact O-CB 3.42Å; W655-F665 HydrophobicContact CB-CB 4.31Å; W655-F665 HydrophobicContact CB-CD2 4.04Å; W655-F665 AromaticContact CD2-CD2 3.69Å; W655-F665 HydrophobicContact CD2-CD2 3.69Å; W655-F665 AromaticContact CD2-CE2 3.95Å; W655-F665 HydrophobicContact CD2-CE2 3.95Å; W655-F665 AromaticContact CE3-CD2 3.2Å; W655-F665 HydrophobicContact CE3-CD2 3.2Å; W655-F665 AromaticContact CE3-CE2 3.3Å; W655-F665 HydrophobicContact CE3-CE2 3.3Å; W655-F665 HydrophobicContact CE3-CG 4.44Å; W655-F665 HydrophobicContact CG-CD2 4.06Å; W655-F665 HydrophobicContact CH2-CE2 4.13Å; W655-F665 AromaticContact CZ3-CD2 3.84Å; W655-F665 HydrophobicContact CZ3-CD2 3.84Å; W655-F665 AromaticContact CZ3-CE2 3.4Å; W655-F665 HydrophobicContact CZ3-CE2 3.4Å; W655-F665 HydrophobicContact CZ3-CZ 4.46Å; F665-D669 PolarHBondContact N-OD2 2.92Å
666	E	96	Very high	96.8	Very high	31 Å²	31	55.1 Å²	55.1	15%	0.145	27%	0.269	C	S	.	.	S	Bend	trans	-90.2	147	179.4	-71.5	-64.6	162.2	0	0	111.8	N625 Y629 N664 N668 D669	N625-E666 HydrophobicContact CB-CG 4.09Å; N625-E666 WeakPolarHBondContact ND2-CG 3.37Å; Y629-E666 HydrophobicContact CE2-CG 4.46Å; Y629-E666 PolarHBondContact OH-OE2 2.87Å; N664-E666 PolarHBondContact ND2-O 3.27Å; E666-N668 PolarHBondContact O-N 2.96Å; E666-N668 VanDerWaalsContact O-N 3.11Å; E666-D669 PolarHBondContact N-OD2 3.48Å; E666-D669 WeakPolarHBondContact O-CB 3.13Å; E666-D669 PolarHBondContact O-N 2.95Å
667	W	96.4	Very high	96.8	Very high	192 Å²	192	55.2 Å²	55.2	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27	-177.3	66.9	-82.6	0	0	0	113.6	Y629	Y629-W667 PolarHBondContact OH-NE1 2.5Å
668	N	97	Very high	96.7	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.048	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	9.1	-178.3	69	-23.4	0	0	0	114.6	Q628 E666 I670 T672 L673	Q628-N668 PolarHBondContact NE2-OD1 3.05Å; Q628-N668 PolarHBondContact OE1-ND2 3.41Å; Q628-N668 PolarHBondContact OE1-OD1 2.88Å; E666-N668 PolarHBondContact O-N 2.96Å; E666-N668 VanDerWaalsContact O-N 3.11Å; N668-I670 PolarHBondContact O-N 2.83Å; N668-T672 WeakPolarHBondContact O-CA 3.41Å; N668-T672 WeakPolarHBondContact O-CB 3.5Å; N668-T672 PolarHBondContact O-N 3.27Å; N668-L673 PolarHBondContact O-N 3.06Å
669	D	98.1	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-53.8	-54.6	177.1	-87.9	-22.2	0	0	0	110.7	N625 F651 N664 F665 E666 L673 Y674	N625-D669 WeakPolarHBondContact CB-OD1 3.46Å; N625-D669 PolarHBondContact ND2-OD1 2.66Å; N625-D669 VanDerWaalsContact ND2-OD1 3.16Å; N625-D669 PolarHBondContact ND2-OD2 3.29Å; F651-D669 WeakPolarHBondContact CE1-OD1 3.41Å; F651-D669 WeakPolarHBondContact CZ-OD1 3.34Å; N664-D669 HydrophobicContact CB-CB 3.64Å; F665-D669 PolarHBondContact N-OD2 2.92Å; E666-D669 PolarHBondContact N-OD2 3.48Å; E666-D669 WeakPolarHBondContact O-CB 3.13Å; E666-D669 PolarHBondContact O-N 2.95Å; D669-L673 PolarHBondContact O-N 2.92Å; D669-Y674 HydrophobicContact CB-CD1 4.23Å; D669-Y674 HydrophobicContact CB-CE1 3.7Å; D669-Y674 HydrophobicContact CB-CE2 4.08Å; D669-Y674 VanDerWaalsContact O-CB 3.28Å; D669-Y674 WeakPolarHBondContact O-CB 3.35Å; D669-Y674 PolarHBondContact O-N 2.85Å
670	I	97	Very high	96.7	Very high	53 Å²	53	48.3 Å²	48.3	27%	0.272	23%	0.23	S	C	.	.	I	π-helix	trans	-64.5	-47.7	-175.6	-67.3	170.7	0	0	0	111.6	N664 N668 Y674	N664-I670 HydrophobicContact CB-CD1 4.25Å; N664-I670 HydrophobicContact CB-CG1 4.1Å; N668-I670 PolarHBondContact O-N 2.83Å; I670-Y674 HydrophobicContact CG1-CD2 4.23Å; I670-Y674 HydrophobicContact CG1-CE2 4.06Å
671	D	94.5	Very high	96.5	Very high	106 Å²	106	49 Å²	49	57%	0.567	23%	0.233	S	C	*	.	I	π-helix	trans	-87.8	-20.2	-167.5	-80.5	-44.7	0	0	0	114.7	K675	D671-K675 VanDerWaalsContact O-CD 3.32Å; D671-K675 WeakPolarHBondContact O-CD 2.97Å; D671-K675 PolarHBondContact O-NZ 3.48Å; D671-K675 IonicContact OD1-NZ 3.71Å; D671-K675 PolarHBondContact OD1-NZ 2.91Å
672	T	96.7	Very high	96.1	Very high	74 Å²	74	50 Å²	50	45%	0.454	25%	0.249	S	C	.	.	I	π-helix	trans	-125.2	-63.9	-175.7	-53.9	0	0	0	0	111.5	N668 K675 G676	N668-T672 WeakPolarHBondContact O-CA 3.41Å; N668-T672 WeakPolarHBondContact O-CB 3.5Å; N668-T672 PolarHBondContact O-N 3.27Å; T672-K675 PolarHBondContact O-N 2.04Å; T672-G676 PolarHBondContact O-N 2.92Å
673	L	98	Very high	95.7	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.27	C	S	.	.	I	π-helix	trans	-71	-47.2	-167	-61.1	-180	0	0	0	112.8	F623 N625 L637 P638 F651 N668 D669 K675 G676 I677	F623-L673 HydrophobicContact CZ-CD2 4.46Å; N625-L673 HydrophobicContact CB-CD1 3.68Å; L637-L673 HydrophobicContact CD2-CD2 4.42Å; P638-L673 HydrophobicContact CG-CD2 4.13Å; F651-L673 HydrophobicContact CE2-CB 3.88Å; F651-L673 HydrophobicContact CZ-CB 3.81Å; F651-L673 HydrophobicContact CZ-CD1 4.01Å; N668-L673 PolarHBondContact O-N 3.06Å; D669-L673 PolarHBondContact O-N 2.92Å; L673-K675 VanDerWaalsContact C-N 3.31Å; L673-K675 PolarHBondContact O-N 3.41Å; L673-G676 WeakPolarHBondContact O-CA 3.2Å; L673-G676 PolarHBondContact O-N 3.09Å; L673-I677 VanDerWaalsContact O-CG1 3.28Å; L673-I677 WeakPolarHBondContact O-CG1 3.39Å; L673-I677 PolarHBondContact O-N 3.04Å
674	Y	97.8	Very high	95.4	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-41.3	177	-65.1	-8.2	0	0	0	111.3	F651 D669 I670 G676 I677 A678 L691 Y723 H727 F729	F651-Y674 HydrophobicContact CD1-CD1 4.4Å; F651-Y674 AromaticContact CD1-CE1 3.78Å; F651-Y674 HydrophobicContact CD1-CE1 3.78Å; F651-Y674 HydrophobicContact CD2-CD1 4.45Å; F651-Y674 HydrophobicContact CE1-CD1 4.06Å; F651-Y674 AromaticContact CE1-CE1 3.44Å; F651-Y674 HydrophobicContact CE1-CE1 3.44Å; F651-Y674 VanDerWaalsContact CE1-CE1 3.44Å; F651-Y674 HydrophobicContact CE2-CD1 4.05Å; F651-Y674 HydrophobicContact CE2-CE1 4.26Å; F651-Y674 HydrophobicContact CG-CE1 4.35Å; F651-Y674 AromaticContact CZ-CD1 3.83Å; F651-Y674 HydrophobicContact CZ-CD1 3.83Å; F651-Y674 AromaticContact CZ-CE1 3.67Å; F651-Y674 HydrophobicContact CZ-CE1 3.67Å; D669-Y674 HydrophobicContact CB-CD1 4.23Å; D669-Y674 HydrophobicContact CB-CE1 3.7Å; D669-Y674 HydrophobicContact CB-CE2 4.08Å; D669-Y674 VanDerWaalsContact O-CB 3.28Å; D669-Y674 WeakPolarHBondContact O-CB 3.35Å; D669-Y674 PolarHBondContact O-N 2.85Å; I670-Y674 HydrophobicContact CG1-CD2 4.23Å; I670-Y674 HydrophobicContact CG1-CE2 4.06Å; Y674-G676 VanDerWaalsContact C-N 3.32Å; Y674-G676 PolarHBondContact O-N 3.43Å; Y674-I677 PolarHBondContact O-N 2.93Å; Y674-A678 WeakPolarHBondContact O-CB 3.36Å; Y674-A678 PolarHBondContact O-N 3.36Å; Y674-L691 HydrophobicContact CE1-CD1 4.23Å; Y674-Y723 AromaticContact CE2-CE1 3.88Å; Y674-Y723 HydrophobicContact CE2-CE1 3.88Å; Y674-Y723 WeakPolarHBondContact CE2-OH 3.44Å; Y674-H727 HydrophobicContact CD2-CB 3.88Å; Y674-H727 AromaticContact CD2-CG 3.71Å; Y674-H727 AromaticContact CD2-ND1 3.85Å; Y674-H727 HydrophobicContact CE2-CB 4.49Å; Y674-F729 HydrophobicContact CD1-CE2 4.03Å; Y674-F729 AromaticContact CD1-CZ 3.89Å; Y674-F729 HydrophobicContact CD1-CZ 3.89Å; Y674-F729 HydrophobicContact CD2-CE2 4.26Å; Y674-F729 HydrophobicContact CE1-CE2 4.25Å; Y674-F729 HydrophobicContact CE1-CZ 4.16Å; Y674-F729 HydrophobicContact CE2-CE2 4.48Å; Y674-F729 HydrophobicContact CG-CE2 4.04Å; Y674-F729 HydrophobicContact CG-CZ 4.3Å
675	K	96.6	Very high	95	Very high	104 Å²	104	58.8 Å²	58.8	45%	0.452	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-38.5	174.5	-63.5	-175.7	-163.1	152.4	0	111.4	D671 T672 L673 K679	D671-K675 VanDerWaalsContact O-CD 3.32Å; D671-K675 WeakPolarHBondContact O-CD 2.97Å; D671-K675 PolarHBondContact O-NZ 3.48Å; D671-K675 IonicContact OD1-NZ 3.71Å; D671-K675 PolarHBondContact OD1-NZ 2.91Å; T672-K675 PolarHBondContact O-N 2.04Å; L673-K675 VanDerWaalsContact C-N 3.31Å; L673-K675 PolarHBondContact O-N 3.41Å; K675-K679 VanDerWaalsContact O-CG 3.23Å; K675-K679 WeakPolarHBondContact O-CG 3.2Å; K675-K679 PolarHBondContact O-N 3.18Å
676	G	96.6	Very high	94.8	Very high	6 Å²	6	60.4 Å²	60.4	6%	0.062	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-45.6	174	0	0	0	0	0	112.4	T672 L673 Y674 K679 L680	T672-G676 PolarHBondContact O-N 2.92Å; L673-G676 WeakPolarHBondContact O-CA 3.2Å; L673-G676 PolarHBondContact O-N 3.09Å; Y674-G676 VanDerWaalsContact C-N 3.32Å; Y674-G676 PolarHBondContact O-N 3.43Å; G676-K679 WeakPolarHBondContact O-CB 3.37Å; G676-K679 PolarHBondContact O-N 3.01Å; G676-L680 PolarHBondContact O-N 3.46Å
677	I	96.7	Very high	94.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-43.4	178.1	-64.4	-73.5	0	0	0	111.6	F623 P638 I649 F651 L673 Y674 K679 L680 T689 F729	F623-I677 HydrophobicContact CB-CD1 4.46Å; F623-I677 HydrophobicContact CD1-CD1 4.23Å; F623-I677 HydrophobicContact CD2-CD1 3.87Å; F623-I677 HydrophobicContact CE2-CD1 4.2Å; F623-I677 HydrophobicContact CG-CD1 3.92Å; P638-I677 HydrophobicContact CB-CD1 4.37Å; P638-I677 HydrophobicContact CG-CD1 4.37Å; P638-I677 HydrophobicContact CG-CG1 4.31Å; I649-I677 HydrophobicContact CG2-CD1 4.38Å; F651-I677 HydrophobicContact CD2-CD1 4.15Å; F651-I677 HydrophobicContact CD2-CG1 3.72Å; F651-I677 HydrophobicContact CE2-CD1 4.49Å; F651-I677 HydrophobicContact CE2-CG1 3.88Å; L673-I677 VanDerWaalsContact O-CG1 3.28Å; L673-I677 WeakPolarHBondContact O-CG1 3.39Å; L673-I677 PolarHBondContact O-N 3.04Å; Y674-I677 PolarHBondContact O-N 2.93Å; I677-K679 VanDerWaalsContact C-N 3.27Å; I677-K679 PolarHBondContact O-N 3.22Å; I677-L680 HydrophobicContact CD1-CD1 4.1Å; I677-L680 WeakPolarHBondContact O-CB 3.5Å; I677-L680 PolarHBondContact O-N 3.05Å; I677-T689 HydrophobicContact CG2-CG2 3.58Å; I677-F729 HydrophobicContact CG2-CE1 4.42Å
678	A	94.5	Very high	94.8	Very high	18 Å²	18	54.1 Å²	54.1	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-39.1	174.8	0	0	0	0	0	111.6	Y674 L680 K681 E728	Y674-A678 WeakPolarHBondContact O-CB 3.36Å; Y674-A678 PolarHBondContact O-N 3.36Å; A678-L680 VanDerWaalsContact C-N 3.27Å; A678-L680 PolarHBondContact O-N 3.38Å; A678-K681 PolarHBondContact O-N 3.17Å; A678-E728 HydrophobicContact CB-CB 4.34Å
679	K	95.3	Very high	94.8	Very high	137 Å²	137	53.7 Å²	53.7	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-62.6	-28.6	175	-75.2	170.5	-175.8	179.5	0	113.3	K675 G676 I677 K681 S682	K675-K679 VanDerWaalsContact O-CG 3.23Å; K675-K679 WeakPolarHBondContact O-CG 3.2Å; K675-K679 PolarHBondContact O-N 3.18Å; G676-K679 WeakPolarHBondContact O-CB 3.37Å; G676-K679 PolarHBondContact O-N 3.01Å; I677-K679 VanDerWaalsContact C-N 3.27Å; I677-K679 PolarHBondContact O-N 3.22Å; K679-K681 PolarHBondContact O-N 3.45Å; K679-S682 WeakPolarHBondContact O-CB 3.4Å; K679-S682 PolarHBondContact O-N 3.04Å; K679-S682 PolarHBondContact O-OG 3Å
680	L	95.4	Very high	94.9	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-35.1	177.1	-58.6	-179.3	0	0	0	112	Y641 I649 G676 I677 A678 S682 R683 D684 L687	Y641-L680 HydrophobicContact CD1-CD1 3.78Å; Y641-L680 HydrophobicContact CD1-CD2 4.05Å; Y641-L680 HydrophobicContact CD1-CG 4.36Å; Y641-L680 HydrophobicContact CE1-CD1 4.46Å; Y641-L680 HydrophobicContact CG-CD1 3.91Å; I649-L680 HydrophobicContact CD1-CD1 3.77Å; G676-L680 PolarHBondContact O-N 3.46Å; I677-L680 HydrophobicContact CD1-CD1 4.1Å; I677-L680 WeakPolarHBondContact O-CB 3.5Å; I677-L680 PolarHBondContact O-N 3.05Å; A678-L680 VanDerWaalsContact C-N 3.27Å; A678-L680 PolarHBondContact O-N 3.38Å; L680-S682 PolarHBondContact O-N 3.32Å; L680-R683 WeakPolarHBondContact O-CB 3.29Å; L680-R683 PolarHBondContact O-N 3.31Å; L680-D684 PolarHBondContact O-N 3.47Å; L680-L687 HydrophobicContact CB-CD2 3.62Å
681	K	92.6	Very high	94.9	Very high	47 Å²	47	51.2 Å²	51.2	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-19	176.5	-58.1	-171.2	-61.3	-179.8	0	113.6	A678 K679 R683 D684 L687 T689 E728 D730	A678-K681 PolarHBondContact O-N 3.17Å; K679-K681 PolarHBondContact O-N 3.45Å; K681-R683 VanDerWaalsContact C-N 3.31Å; K681-D684 CarbonylContact O-C 3.6Å; K681-L687 HydrophobicContact CG-CD2 4.46Å; K681-L687 HydrophobicContact CG-CG 4.5Å; K681-T689 HydrophobicContact CD-CG2 4Å; K681-T689 HydrophobicContact CG-CG2 4.04Å; K681-E728 PolarHBondContact NZ-O 3.32Å; K681-D730 WeakPolarHBondContact CD-OD2 3.39Å; K681-D730 IonicContact NZ-OD1 2.84Å; K681-D730 IonicContact NZ-OD2 2.64Å; K681-D730 PolarHBondContact NZ-OD2 3.27Å
682	S	90.1	Very high	95.1	Very high	101 Å²	101	46.1 Å²	46.1	71%	0.706	24%	0.242	S	C	*	.	H	α-helix	trans	-77.6	-19.6	172.4	73.6	0	0	0	0	112.9	K679 L680	K679-S682 WeakPolarHBondContact O-CB 3.4Å; K679-S682 PolarHBondContact O-N 3.04Å; K679-S682 PolarHBondContact O-OG 3Å; L680-S682 PolarHBondContact O-N 3.32Å
683	R	90.9	Very high	95.2	Very high	128 Å²	128	42.6 Å²	42.6	48%	0.483	22%	0.221	S	C	.	.	H	α-helix	trans	-95.8	-33.8	177.2	-64.6	168.4	54.1	-171	-5.7	112.3	D643 L680 K681	D643-R683 WeakPolarHBondContact OD1-CB 3.46Å; D643-R683 IonicContact OD1-CZ 2.86Å; D643-R683 VanDerWaalsContact OD1-CZ 3.23Å; D643-R683 IonicContact OD1-NE 2.69Å; D643-R683 PolarHBondContact OD1-NE 3.35Å; D643-R683 VanDerWaalsContact OD1-NE 3.13Å; D643-R683 IonicContact OD1-NH2 3.62Å; D643-R683 PolarHBondContact OD1-NH2 3.48Å; D643-R683 IonicContact OD2-CZ 2.86Å; D643-R683 IonicContact OD2-NE 3.44Å; D643-R683 PolarHBondContact OD2-NE 2.96Å; D643-R683 IonicContact OD2-NH2 3.38Å; D643-R683 PolarHBondContact OD2-NH2 2.91Å; L680-R683 WeakPolarHBondContact O-CB 3.29Å; L680-R683 PolarHBondContact O-N 3.31Å; K681-R683 VanDerWaalsContact C-N 3.31Å
684	D	90.7	Very high	95.2	Very high	20 Å²	20	42.7 Å²	42.7	11%	0.107	22%	0.222	C	C	.	.			trans	-127.6	99.4	176.2	-173.6	-13.7	0	0	0	109.6	G644 L680 K681 N686 L687	G644-D684 WeakPolarHBondContact CA-OD2 3.19Å; G644-D684 PolarHBondContact N-OD2 2.81Å; G644-D684 VanDerWaalsContact N-OD2 3.11Å; L680-D684 PolarHBondContact O-N 3.47Å; K681-D684 CarbonylContact O-C 3.6Å; D684-N686 PolarHBondContact O-N 3.07Å; D684-N686 PolarHBondContact OD1-N 3.17Å; D684-N686 VanDerWaalsContact OD1-N 3.13Å; D684-L687 HydrophobicContact CB-CB 3.98Å; D684-L687 VanDerWaalsContact O-CB 3.29Å; D684-L687 WeakPolarHBondContact O-CB 3.3Å; D684-L687 PolarHBondContact O-N 2.76Å; D684-L687 PolarHBondContact OD1-N 3.3Å
685	S	89.7	Confident	94.9	Very high	110 Å²	110	42.6 Å²	42.6	77%	0.769	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.9	-175.9	57.8	0	0	0	0	114.1
686	N	89.7	Confident	94.6	Very high	121 Å²	121	46.5 Å²	46.5	65%	0.647	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-17.2	176.3	-64.9	-50.5	0	0	0	112.3	D684 K688	D684-N686 PolarHBondContact O-N 3.07Å; D684-N686 PolarHBondContact OD1-N 3.17Å; D684-N686 VanDerWaalsContact OD1-N 3.13Å; N686-K688 PolarHBondContact O-N 3.46Å
687	L	95.5	Very high	94	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	26%	0.264	C	S	.	.			trans	-64.8	127.7	-177.6	178.2	63.4	0	0	0	111.5	Y641 I649 L680 K681 D684 T689	Y641-L687 HydrophobicContact CE1-CD2 4.3Å; I649-L687 HydrophobicContact CB-CD1 4.44Å; I649-L687 HydrophobicContact CD1-CD1 3.94Å; I649-L687 HydrophobicContact CD1-CD2 3.89Å; I649-L687 HydrophobicContact CD1-CG 4.48Å; I649-L687 HydrophobicContact CG1-CD1 3.87Å; L680-L687 HydrophobicContact CB-CD2 3.62Å; K681-L687 HydrophobicContact CG-CD2 4.46Å; K681-L687 HydrophobicContact CG-CG 4.5Å; D684-L687 HydrophobicContact CB-CB 3.98Å; D684-L687 VanDerWaalsContact O-CB 3.29Å; D684-L687 WeakPolarHBondContact O-CB 3.3Å; D684-L687 PolarHBondContact O-N 2.76Å; D684-L687 PolarHBondContact OD1-N 3.3Å; L687-T689 HydrophobicContact CG-CG2 4.41Å
688	K	97	Very high	93.8	Very high	84 Å²	84	52.3 Å²	52.3	37%	0.365	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.3	171.8	-67.1	169.1	-179.1	-65.1	0	109.9	D647 Y648 I649 N686 L690 D730 L772	D647-K688 PolarHBondContact O-N 2.9Å; Y648-K688 CarbonylContact C-O 3.55Å; Y648-K688 VanDerWaalsContact CA-O 3.27Å; Y648-K688 WeakPolarHBondContact CA-O 3.4Å; Y648-K688 HydrophobicContact CD1-CB 3.78Å; Y648-K688 HydrophobicContact CD1-CD 4.11Å; Y648-K688 HydrophobicContact CE1-CB 3.98Å; Y648-K688 HydrophobicContact CE1-CD 3.42Å; Y648-K688 VanDerWaalsContact CE1-CD 3.42Å; Y648-K688 HydrophobicContact CE1-CG 4.33Å; I649-K688 PolarHBondContact N-O 3.1Å; N686-K688 PolarHBondContact O-N 3.46Å; K688-L690 HydrophobicContact CB-CD1 4.48Å; K688-D730 HydrophobicContact CB-CB 4.33Å; K688-L772 HydrophobicContact CD-CD1 3.89Å
689	T	98	Very high	93.5	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.1	-178.4	54.9	0	0	0	0	109.6	I649 I677 K681 L687 D730	I649-T689 HydrophobicContact CB-CG2 4.49Å; I649-T689 CarbonylContact O-C 3.47Å; I649-T689 WeakPolarHBondContact O-CA 3.38Å; I677-T689 HydrophobicContact CG2-CG2 3.58Å; K681-T689 HydrophobicContact CD-CG2 4Å; K681-T689 HydrophobicContact CG-CG2 4.04Å; L687-T689 HydrophobicContact CG-CG2 4.41Å; T689-D730 PolarHBondContact N-OD2 2.84Å; T689-D730 WeakPolarHBondContact O-CA 3.04Å; T689-D730 WeakPolarHBondContact O-CB 3.38Å; T689-D730 PolarHBondContact O-N 2.9Å; T689-D730 PolarHBondContact OG1-OD2 2.85Å
690	L	98.6	Very high	93.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.5	176.6	-73.5	78.3	0	0	0	109.2	Y648 I649 F650 F651 K688 G731 L772 T774	Y648-L690 HydrophobicContact CD1-CD1 3.82Å; I649-L690 PolarHBondContact O-N 3.16Å; F650-L690 WeakPolarHBondContact CA-O 3.42Å; F650-L690 HydrophobicContact CD1-CB 4.03Å; F650-L690 HydrophobicContact CD1-CD2 4.43Å; F650-L690 HydrophobicContact CE1-CB 4.39Å; F650-L690 HydrophobicContact CE1-CD2 4Å; F651-L690 PolarHBondContact N-O 3.14Å; K688-L690 HydrophobicContact CB-CD1 4.48Å; L690-G731 WeakPolarHBondContact CA-O 3.28Å; L690-L772 HydrophobicContact CD1-CD1 4.12Å; L690-L772 HydrophobicContact CD2-CB 3.96Å; L690-L772 HydrophobicContact CG-CB 4.44Å; L690-T774 HydrophobicContact CD2-CG2 3.79Å; L690-T774 WeakPolarHBondContact CD2-OG1 3.4Å
691	L	98.8	Very high	93.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.2	172	-175	59.7	0	0	0	108.4	F651 A654 I662 Y674 Y723 L724 F729 G731 D733	F651-L691 HydrophobicContact CB-CD1 4.22Å; F651-L691 HydrophobicContact CD1-CD1 3.96Å; F651-L691 HydrophobicContact CG-CD1 4.41Å; A654-L691 HydrophobicContact CB-CD1 3.93Å; A654-L691 HydrophobicContact CB-CD2 3.82Å; A654-L691 HydrophobicContact CB-CG 3.8Å; I662-L691 HydrophobicContact CD1-CD2 3.87Å; Y674-L691 HydrophobicContact CE1-CD1 4.23Å; L691-Y723 HydrophobicContact CD2-CD1 3.7Å; L691-Y723 HydrophobicContact CD2-CE1 3.77Å; L691-L724 HydrophobicContact CB-CD2 3.56Å; L691-L724 HydrophobicContact CD2-CD2 4.02Å; L691-L724 HydrophobicContact CG-CD2 4.43Å; L691-F729 HydrophobicContact CB-CB 4.45Å; L691-F729 HydrophobicContact CB-CD1 3.93Å; L691-F729 HydrophobicContact CB-CD2 3.97Å; L691-F729 HydrophobicContact CB-CE1 4.11Å; L691-F729 HydrophobicContact CB-CE2 4.15Å; L691-F729 HydrophobicContact CB-CG 3.86Å; L691-F729 HydrophobicContact CB-CZ 4.21Å; L691-F729 HydrophobicContact CD1-CE1 4.33Å; L691-F729 HydrophobicContact CD1-CE2 3.95Å; L691-F729 HydrophobicContact CD1-CZ 3.8Å; L691-F729 HydrophobicContact CD2-CD2 4.3Å; L691-F729 HydrophobicContact CD2-CE2 4.26Å; L691-F729 HydrophobicContact CG-CE2 4.35Å; L691-G731 PolarHBondContact N-O 3.43Å; L691-D733 PolarHBondContact O-N 3.15Å
692	S	98.8	Very high	93.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.4	176.2	-49.3	0	0	0	0	109.5	F651 F653 A654 D733	F651-S692 WeakPolarHBondContact O-CA 3.39Å; F651-S692 VanDerWaalsContact O-CB 3.29Å; F651-S692 WeakPolarHBondContact O-CB 3.44Å; F651-S692 PolarHBondContact O-N 3.29Å; F651-S692 PolarHBondContact O-OG 2.59Å; F653-S692 CarbonylContact C-O 3.52Å; F653-S692 WeakPolarHBondContact CA-O 3.48Å; A654-S692 PolarHBondContact N-O 3.18Å; S692-D733 CarbonylContact C-O 3.51Å; S692-D733 VanDerWaalsContact CA-O 3.28Å; S692-D733 WeakPolarHBondContact CA-O 3.46Å; S692-D733 PolarHBondContact OG-OD2 2.93Å
693	I	98.6	Very high	93.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.4	173.2	-171.4	175.4	0	0	0	109.6	A654 M656 I662 F703 F716 L732 D733 I734 D735	A654-I693 HydrophobicContact CB-CB 4.3Å; A654-I693 HydrophobicContact CB-CG1 4.38Å; M656-I693 HydrophobicContact CB-CD1 4.2Å; M656-I693 HydrophobicContact CE-CD1 4.09Å; I662-I693 HydrophobicContact CD1-CD1 4.16Å; I662-I693 HydrophobicContact CG1-CD1 4.1Å; I693-F703 HydrophobicContact CG2-CZ 4.44Å; I693-F716 HydrophobicContact CD1-CE2 3.68Å; I693-F716 HydrophobicContact CD1-CZ 4.15Å; I693-F716 HydrophobicContact CG2-CZ 4.29Å; I693-L732 HydrophobicContact CG2-CD1 4.03Å; I693-D733 PolarHBondContact N-O 2.91Å; I693-I734 HydrophobicContact CG2-CG1 4.35Å; I693-D735 PolarHBondContact O-N 3.44Å
694	G	96.4	Very high	94	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.9	-126.5	-178.8	0	0	0	0	0	112.1	F698 D735	G694-F698 WeakPolarHBondContact O-CB 3.47Å; G694-D735 WeakPolarHBondContact CA-O 3.34Å
695	G	93.3	Very high	94.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	26%	0.255	C	S	.	.			trans	84	165.8	-172.8	0	0	0	0	0	113.1	T697 F698 D735 E737	G695-T697 VanDerWaalsContact C-N 3.34Å; G695-T697 PolarHBondContact O-N 2.83Å; G695-F698 VanDerWaalsContact O-CB 3.26Å; G695-F698 WeakPolarHBondContact O-CB 3.1Å; G695-F698 PolarHBondContact O-N 3.42Å; G695-D735 WeakPolarHBondContact CA-OD2 3.27Å; G695-D735 PolarHBondContact N-O 3.04Å; G695-E737 WeakPolarHBondContact CA-OE1 3.17Å
696	W	89.8	Confident	94.7	Very high	187 Å²	187	45.2 Å²	45.2	71%	0.708	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-46.5	-47.6	-174.4	-175.3	-109.4	0	0	0	115.4	F698 G699 E737 Y738	W696-F698 VanDerWaalsContact C-N 3.3Å; W696-F698 PolarHBondContact O-N 2.85Å; W696-G699 PolarHBondContact O-N 2.91Å; W696-E737 HydrophobicContact CE3-CB 4.5Å; W696-E737 PolarHBondContact N-OE1 3.18Å; W696-Y738 HydrophobicContact CZ3-CE2 4.23Å
697	T	84.2	Confident	95.1	Very high	113 Å²	113	39.5 Å²	39.5	69%	0.693	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-75.7	-15.5	-175.8	55.5	0	0	0	0	113.9	G695 G699	G695-T697 VanDerWaalsContact C-N 3.34Å; G695-T697 PolarHBondContact O-N 2.83Å; T697-G699 VanDerWaalsContact C-N 3.3Å
698	F	92.5	Very high	95.1	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.07	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-70	-29.9	174.6	-171.1	-86.1	0	0	0	111.9	W655 M656 G694 G695 W696 K702 F703	W655-F698 AromaticContact CD2-CD2 3.96Å; W655-F698 HydrophobicContact CD2-CD2 3.96Å; W655-F698 AromaticContact CD2-CE2 3.92Å; W655-F698 HydrophobicContact CD2-CE2 3.92Å; W655-F698 AromaticContact CE3-CD2 3.32Å; W655-F698 HydrophobicContact CE3-CD2 3.32Å; W655-F698 AromaticContact CE3-CE2 3.76Å; W655-F698 HydrophobicContact CE3-CE2 3.76Å; W655-F698 HydrophobicContact CE3-CG 4.41Å; W655-F698 HydrophobicContact CG-CE2 4.5Å; W655-F698 HydrophobicContact CH2-CB 4.48Å; W655-F698 AromaticContact CH2-CD2 3.86Å; W655-F698 HydrophobicContact CH2-CD2 3.86Å; W655-F698 HydrophobicContact CH2-CE2 4.48Å; W655-F698 HydrophobicContact CH2-CG 4.35Å; W655-F698 HydrophobicContact CZ2-CD2 4.4Å; W655-F698 HydrophobicContact CZ3-CB 4.01Å; W655-F698 AromaticContact CZ3-CD2 3.28Å; W655-F698 HydrophobicContact CZ3-CD2 3.28Å; W655-F698 HydrophobicContact CZ3-CE2 4.07Å; W655-F698 AromaticContact CZ3-CG 3.98Å; W655-F698 HydrophobicContact CZ3-CG 3.98Å; M656-F698 HydrophobicContact CB-CE2 3.93Å; M656-F698 HydrophobicContact CB-CZ 3.63Å; M656-F698 HydrophobicContact CE-CZ 4.31Å; G694-F698 WeakPolarHBondContact O-CB 3.47Å; G695-F698 VanDerWaalsContact O-CB 3.26Å; G695-F698 WeakPolarHBondContact O-CB 3.1Å; G695-F698 PolarHBondContact O-N 3.42Å; W696-F698 VanDerWaalsContact C-N 3.3Å; W696-F698 PolarHBondContact O-N 2.85Å; F698-K702 HydrophobicContact CE1-CB 3.65Å; F698-K702 HydrophobicContact CE1-CD 4.4Å; F698-K702 HydrophobicContact CE2-CD 4.42Å; F698-K702 HydrophobicContact CZ-CB 3.79Å; F698-K702 HydrophobicContact CZ-CD 3.94Å; F698-F703 AromaticContact CD1-CD2 3.69Å; F698-F703 HydrophobicContact CD1-CD2 3.69Å; F698-F703 AromaticContact CD1-CE2 3.55Å; F698-F703 HydrophobicContact CD1-CE2 3.55Å; F698-F703 HydrophobicContact CD1-CZ 4.44Å; F698-F703 AromaticContact CE1-CD2 3.55Å; F698-F703 HydrophobicContact CE1-CD2 3.55Å; F698-F703 AromaticContact CE1-CE2 3.56Å; F698-F703 HydrophobicContact CE1-CE2 3.56Å; F698-F703 HydrophobicContact CE1-CG 4.15Å; F698-F703 HydrophobicContact CE1-CZ 4.16Å; F698-F703 HydrophobicContact CG-CE2 4.41Å; F698-F703 HydrophobicContact CZ-CE2 4.45Å
699	G	87.7	Confident	95	Very high	26 Å²	26	43.3 Å²	43.3	27%	0.268	21%	0.206	S	C	.	.			trans	66.5	-167.2	-175.9	0	0	0	0	0	113.5	W696 T697	W696-G699 PolarHBondContact O-N 2.91Å; T697-G699 VanDerWaalsContact C-N 3.3Å
700	T	93.5	Very high	94.9	Very high	28 Å²	28	46.2 Å²	46.2	17%	0.172	23%	0.227	C	C	.	.	S	Bend	trans	-104.4	-20.8	-171	63.8	0	0	0	0	114.3	K702 F703 K704 E737 Y738 E740	T700-K702 PolarHBondContact O-N 3.35Å; T700-F703 PolarHBondContact O-N 2.86Å; T700-K704 WeakPolarHBondContact O-CG 3.39Å; T700-K704 PolarHBondContact O-N 2.86Å; T700-E737 VanDerWaalsContact CG2-O 3.28Å; T700-E737 WeakPolarHBondContact CG2-O 3.22Å; T700-Y738 WeakPolarHBondContact CG2-O 3.37Å; T700-E740 PolarHBondContact OG1-OE1 3.39Å
701	R	93.1	Very high	94.9	Very high	210 Å²	210	53.3 Å²	53.3	79%	0.792	26%	0.26	S	S	*	.	H	α-helix	trans	-57.3	-51.6	-168.4	-177.5	-179.5	174.1	-169	-2	113.3	K704 T705	R701-K704 PolarHBondContact O-N 2.97Å; R701-T705 PolarHBondContact O-N 2.81Å; R701-T705 PolarHBondContact O-OG1 3.21Å; R701-T705 VanDerWaalsContact O-OG1 3.09Å
702	K	95.1	Very high	94.9	Very high	40 Å²	40	54.5 Å²	54.5	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-41	-177.7	-79	173.4	173.2	-80.9	0	111.8	M656 D658 F698 T700 T705 M706	M656-K702 WeakPolarHBondContact O-CE 3.19Å; M656-K702 PolarHBondContact O-NZ 3.22Å; M656-K702 HydrophobicContact SD-CB 4.25Å; D658-K702 IonicContact OD1-NZ 3.91Å; D658-K702 PolarHBondContact OD1-NZ 3.15Å; F698-K702 HydrophobicContact CE1-CB 3.65Å; F698-K702 HydrophobicContact CE1-CD 4.4Å; F698-K702 HydrophobicContact CE2-CD 4.42Å; F698-K702 HydrophobicContact CZ-CB 3.79Å; F698-K702 HydrophobicContact CZ-CD 3.94Å; T700-K702 PolarHBondContact O-N 3.35Å; K702-T705 PolarHBondContact O-N 3.16Å; K702-M706 VanDerWaalsContact O-CB 3.24Å; K702-M706 WeakPolarHBondContact O-CB 3.48Å; K702-M706 PolarHBondContact O-N 2.9Å
703	F	97.3	Very high	94.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-47.8	174.6	-82	-59.8	0	0	0	112.2	M656 I693 F698 T700 T705 M706 A707 I734 W736	M656-F703 HydrophobicContact CE-CD1 4.29Å; M656-F703 HydrophobicContact CE-CE1 4.27Å; I693-F703 HydrophobicContact CG2-CZ 4.44Å; F698-F703 AromaticContact CD1-CD2 3.69Å; F698-F703 HydrophobicContact CD1-CD2 3.69Å; F698-F703 AromaticContact CD1-CE2 3.55Å; F698-F703 HydrophobicContact CD1-CE2 3.55Å; F698-F703 HydrophobicContact CD1-CZ 4.44Å; F698-F703 AromaticContact CE1-CD2 3.55Å; F698-F703 HydrophobicContact CE1-CD2 3.55Å; F698-F703 AromaticContact CE1-CE2 3.56Å; F698-F703 HydrophobicContact CE1-CE2 3.56Å; F698-F703 HydrophobicContact CE1-CG 4.15Å; F698-F703 HydrophobicContact CE1-CZ 4.16Å; F698-F703 HydrophobicContact CG-CE2 4.41Å; F698-F703 HydrophobicContact CZ-CE2 4.45Å; T700-F703 PolarHBondContact O-N 2.86Å; F703-T705 PolarHBondContact O-N 2.62Å; F703-M706 HydrophobicContact CD1-CE 4.17Å; F703-M706 PolarHBondContact O-N 2.82Å; F703-A707 VanDerWaalsContact O-CB 3.22Å; F703-A707 WeakPolarHBondContact O-CB 3.3Å; F703-A707 PolarHBondContact O-N 3.05Å; F703-I734 HydrophobicContact CE1-CG2 3.89Å; F703-I734 HydrophobicContact CZ-CG2 4.18Å; F703-W736 HydrophobicContact CB-CD2 3.5Å; F703-W736 VanDerWaalsContact CB-CD2 3.5Å; F703-W736 HydrophobicContact CB-CE3 3.84Å; F703-W736 HydrophobicContact CB-CG 3.89Å; F703-W736 HydrophobicContact CB-CH2 4.28Å; F703-W736 HydrophobicContact CB-CZ2 3.98Å; F703-W736 HydrophobicContact CB-CZ3 4.21Å; F703-W736 HydrophobicContact CD1-CB 4.4Å; F703-W736 HydrophobicContact CD1-CD2 4.33Å; F703-W736 HydrophobicContact CD1-CE3 4.24Å; F703-W736 HydrophobicContact CD1-CG 4.4Å; F703-W736 HydrophobicContact CD2-CB 3.88Å; F703-W736 AromaticContact CD2-CD1 3.88Å; F703-W736 HydrophobicContact CD2-CD2 4.27Å; F703-W736 AromaticContact CD2-CG 3.73Å; F703-W736 HydrophobicContact CD2-CG 3.73Å; F703-W736 HydrophobicContact CE2-CB 3.98Å; F703-W736 HydrophobicContact CE2-CG 4.34Å; F703-W736 HydrophobicContact CG-CB 4.1Å; F703-W736 AromaticContact CG-CD2 3.81Å; F703-W736 HydrophobicContact CG-CD2 3.81Å; F703-W736 HydrophobicContact CG-CE3 4.15Å; F703-W736 AromaticContact CG-CG 3.76Å; F703-W736 HydrophobicContact CG-CG 3.76Å; F703-W736 HydrophobicContact CZ-CB 4.3Å
704	K	96.6	Very high	94.8	Very high	48 Å²	48	58.7 Å²	58.7	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-56.5	-50	177.5	-72.5	173.4	164.7	178.1	0	111.8	T700 R701 A707 F708 W736 E740 D744	T700-K704 WeakPolarHBondContact O-CG 3.39Å; T700-K704 PolarHBondContact O-N 2.86Å; R701-K704 PolarHBondContact O-N 2.97Å; K704-A707 PolarHBondContact O-N 2.94Å; K704-F708 WeakPolarHBondContact O-CB 3.37Å; K704-F708 PolarHBondContact O-N 3.36Å; K704-F708 VanDerWaalsContact O-N 3.16Å; K704-W736 HydrophobicContact CG-CH2 4.46Å; K704-W736 HydrophobicContact CG-CZ2 3.7Å; K704-E740 IonicContact NZ-OE1 2.64Å; K704-E740 PolarHBondContact NZ-OE1 2.85Å; K704-E740 IonicContact NZ-OE2 3.11Å; K704-E740 PolarHBondContact NZ-OE2 2.85Å; K704-D744 WeakPolarHBondContact CE-OD2 3.33Å; K704-D744 IonicContact NZ-OD2 3.31Å
705	T	96.9	Very high	94.9	Very high	66 Å²	66	61.1 Å²	61.1	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-41	-179.5	-50.7	0	0	0	0	112.2	F660 R701 K702 F703 N712	F660-T705 HydrophobicContact CE1-CG2 3.82Å; F660-T705 HydrophobicContact CZ-CG2 3.61Å; R701-T705 PolarHBondContact O-N 2.81Å; R701-T705 PolarHBondContact O-OG1 3.21Å; R701-T705 VanDerWaalsContact O-OG1 3.09Å; K702-T705 PolarHBondContact O-N 3.16Å; F703-T705 PolarHBondContact O-N 2.62Å; T705-N712 PolarHBondContact O-ND2 3.09Å
706	M	97.8	Very high	95.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-43.5	177.7	-178.9	-83.1	-72.1	0	0	111.6	M656 F660 K702 F703 F708 N712 R713 F716 L751	M656-M706 HydrophobicContact CE-CB 4.29Å; M656-M706 HydrophobicContact CE-CE 3.77Å; M656-M706 HydrophobicContact CE-CG 4.18Å; M656-M706 HydrophobicContact SD-CB 3.87Å; M656-M706 HydrophobicContact SD-CG 4.04Å; F660-M706 HydrophobicContact CB-CB 4.46Å; F660-M706 HydrophobicContact CB-CG 4Å; F660-M706 HydrophobicContact CD1-CB 3.69Å; F660-M706 HydrophobicContact CD1-CG 4.17Å; F660-M706 HydrophobicContact CE1-CB 4.25Å; F660-M706 HydrophobicContact CG-CB 4.19Å; F660-M706 HydrophobicContact CG-CG 4.2Å; K702-M706 VanDerWaalsContact O-CB 3.24Å; K702-M706 WeakPolarHBondContact O-CB 3.48Å; K702-M706 PolarHBondContact O-N 2.9Å; F703-M706 HydrophobicContact CD1-CE 4.17Å; F703-M706 PolarHBondContact O-N 2.82Å; M706-F708 VanDerWaalsContact C-N 3.3Å; M706-F708 PolarHBondContact O-N 2.79Å; M706-N712 WeakPolarHBondContact O-CB 3.23Å; M706-R713 WeakPolarHBondContact O-CG 3.49Å; M706-R713 PolarHBondContact O-N 2.97Å; M706-R713 HydrophobicContact SD-CG 4.15Å; M706-F716 HydrophobicContact CE-CB 4.44Å; M706-F716 HydrophobicContact CE-CD1 3.49Å; M706-F716 VanDerWaalsContact CE-CD1 3.49Å; M706-F716 HydrophobicContact CE-CD2 4.41Å; M706-F716 HydrophobicContact CE-CE1 3.72Å; M706-F716 HydrophobicContact CE-CG 3.86Å; M706-F716 HydrophobicContact CE-CZ 4.27Å; M706-F716 HydrophobicContact CG-CB 3.67Å; M706-F716 HydrophobicContact CG-CD1 4.46Å; M706-F716 HydrophobicContact CG-CG 4.02Å; M706-F716 HydrophobicContact SD-CB 3.76Å; M706-F716 HydrophobicContact SD-CD1 3.65Å; M706-F716 HydrophobicContact SD-CE1 4.46Å; M706-F716 HydrophobicContact SD-CG 3.82Å; M706-L751 HydrophobicContact CE-CD1 3.84Å; M706-L751 HydrophobicContact CE-CD2 3.66Å; M706-L751 HydrophobicContact CE-CG 4.41Å; M706-L751 HydrophobicContact SD-CD1 3.77Å; M706-L751 HydrophobicContact SD-CD2 4.45Å
707	A	97.8	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-74.8	-18.1	-176.4	0	0	0	0	0	113.7	F703 K704 N709 R713 W736 N747	F703-A707 VanDerWaalsContact O-CB 3.22Å; F703-A707 WeakPolarHBondContact O-CB 3.3Å; F703-A707 PolarHBondContact O-N 3.05Å; K704-A707 PolarHBondContact O-N 2.94Å; A707-N709 PolarHBondContact O-N 3.1Å; A707-R713 PolarHBondContact O-NH1 2.97Å; A707-W736 HydrophobicContact CB-CH2 4.08Å; A707-W736 HydrophobicContact CB-CZ3 3.91Å; A707-N747 HydrophobicContact CB-CB 3.98Å
708	F	95.6	Very high	96.3	Very high	118 Å²	118	54.4 Å²	54.4	52%	0.518	27%	0.266	S	S	.	.	H	α-helix	trans	-58.2	-45.6	-171	-178.5	-106.3	0	0	0	114.4	K704 M706 E743	K704-F708 WeakPolarHBondContact O-CB 3.37Å; K704-F708 PolarHBondContact O-N 3.36Å; K704-F708 VanDerWaalsContact O-N 3.16Å; M706-F708 VanDerWaalsContact C-N 3.3Å; M706-F708 PolarHBondContact O-N 2.79Å; F708-E743 WeakPolarHBondContact CE2-OE1 3.43Å
709	N	93.8	Very high	96.5	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.283	27%	0.267	S	S	.	.	S	Bend	trans	-130.1	163.5	-177.3	75	48.9	0	0	0	112.2	A707 E711 N712 R713	A707-N709 PolarHBondContact O-N 3.1Å; N709-E711 PolarHBondContact OD1-N 3.41Å; N709-E711 VanDerWaalsContact OD1-N 3.09Å; N709-N712 PolarHBondContact ND2-ND2 3.2Å; N709-N712 WeakPolarHBondContact OD1-CB 3.42Å; N709-N712 VanDerWaalsContact OD1-CG 3.31Å; N709-N712 PolarHBondContact OD1-N 3.23Å; N709-N712 PolarHBondContact OD1-OD1 2.84Å; N709-R713 VanDerWaalsContact C-NH1 3.3Å; N709-R713 WeakPolarHBondContact O-CG 3.38Å; N709-R713 PolarHBondContact O-N 2.81Å; N709-R713 PolarHBondContact O-NH1 3.45Å
710	S	97.4	Very high	97.1	Very high	62 Å²	62	53.1 Å²	53.1	43%	0.434	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-37.7	-175.3	-173	0	0	0	0	112.7	N712 R713 Q714	S710-N712 PolarHBondContact O-N 2.93Å; S710-R713 PolarHBondContact O-N 2.87Å; S710-Q714 WeakPolarHBondContact O-CB 3.41Å; S710-Q714 VanDerWaalsContact O-CG 3.24Å; S710-Q714 WeakPolarHBondContact O-CG 3.05Å; S710-Q714 PolarHBondContact O-N 3.16Å
711	E	97.8	Very high	97.2	Very high	149 Å²	149	53.2 Å²	53.2	70%	0.696	25%	0.254	S	S	*	.	H	α-helix	trans	-60.9	-48.1	-180	-175.3	176.5	-174	0	0	111.7	N709 R713 Q714 T715	N709-E711 PolarHBondContact OD1-N 3.41Å; N709-E711 VanDerWaalsContact OD1-N 3.09Å; E711-R713 PolarHBondContact O-N 2.8Å; E711-Q714 PolarHBondContact O-N 3.22Å; E711-T715 PolarHBondContact O-N 3.45Å; E711-T715 PolarHBondContact O-OG1 2.8Å
712	N	98.2	Very high	97.4	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-44.5	177	-66.5	-1.1	0	0	0	111.6	F660 T705 M706 N709 S710 Q714 T715 F716	F660-N712 HydrophobicContact CD2-CB 3.86Å; F660-N712 HydrophobicContact CE2-CB 3.94Å; F660-N712 WeakPolarHBondContact CE2-ND2 3.38Å; F660-N712 WeakPolarHBondContact CE2-OD1 3.45Å; F660-N712 HydrophobicContact CG-CB 4.48Å; T705-N712 PolarHBondContact O-ND2 3.09Å; M706-N712 WeakPolarHBondContact O-CB 3.23Å; N709-N712 PolarHBondContact ND2-ND2 3.2Å; N709-N712 WeakPolarHBondContact OD1-CB 3.42Å; N709-N712 VanDerWaalsContact OD1-CG 3.31Å; N709-N712 PolarHBondContact OD1-N 3.23Å; N709-N712 PolarHBondContact OD1-OD1 2.84Å; S710-N712 PolarHBondContact O-N 2.93Å; N712-Q714 VanDerWaalsContact C-N 3.35Å; N712-Q714 PolarHBondContact O-N 2.84Å; N712-T715 PolarHBondContact O-N 3.33Å; N712-F716 PolarHBondContact O-N 2.95Å
713	R	98.5	Very high	97.6	Very high	13 Å²	13	47.2 Å²	47.2	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-44	175.3	-70.6	-168.6	-57.1	-89.4	1.2	111.4	M706 A707 N709 S710 E711 F716 I717 L751 E754	M706-R713 WeakPolarHBondContact O-CG 3.49Å; M706-R713 PolarHBondContact O-N 2.97Å; M706-R713 HydrophobicContact SD-CG 4.15Å; A707-R713 PolarHBondContact O-NH1 2.97Å; N709-R713 VanDerWaalsContact C-NH1 3.3Å; N709-R713 WeakPolarHBondContact O-CG 3.38Å; N709-R713 PolarHBondContact O-N 2.81Å; N709-R713 PolarHBondContact O-NH1 3.45Å; S710-R713 PolarHBondContact O-N 2.87Å; E711-R713 PolarHBondContact O-N 2.8Å; R713-F716 PolarHBondContact O-N 3.21Å; R713-I717 HydrophobicContact CB-CD1 4.3Å; R713-I717 WeakPolarHBondContact O-CB 3.27Å; R713-I717 VanDerWaalsContact O-CD1 3.3Å; R713-I717 WeakPolarHBondContact O-CD1 3.35Å; R713-I717 WeakPolarHBondContact O-CG1 3.4Å; R713-I717 PolarHBondContact O-N 3.06Å; R713-L751 HydrophobicContact CG-CD1 4.26Å; R713-E754 IonicContact CZ-OE1 2.63Å; R713-E754 VanDerWaalsContact NE-CD 3.3Å; R713-E754 IonicContact NE-OE1 2.68Å; R713-E754 PolarHBondContact NE-OE1 3.43Å; R713-E754 IonicContact NE-OE2 3.18Å; R713-E754 PolarHBondContact NE-OE2 3.09Å; R713-E754 IonicContact NH2-OE1 2.93Å; R713-E754 PolarHBondContact NH2-OE1 3.03Å
714	Q	98.3	Very high	97.6	Very high	74 Å²	74	47.2 Å²	47.2	35%	0.346	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-39.5	179.6	-69.6	-56.7	-52.7	0	0	112.5	S710 E711 N712 I717 K718 E754	S710-Q714 WeakPolarHBondContact O-CB 3.41Å; S710-Q714 VanDerWaalsContact O-CG 3.24Å; S710-Q714 WeakPolarHBondContact O-CG 3.05Å; S710-Q714 PolarHBondContact O-N 3.16Å; E711-Q714 PolarHBondContact O-N 3.22Å; N712-Q714 VanDerWaalsContact C-N 3.35Å; N712-Q714 PolarHBondContact O-N 2.84Å; Q714-I717 PolarHBondContact O-N 2.97Å; Q714-K718 VanDerWaalsContact O-CB 3.3Å; Q714-K718 WeakPolarHBondContact O-CB 3.19Å; Q714-K718 PolarHBondContact O-N 3.22Å; Q714-E754 PolarHBondContact NE2-OE2 2.68Å
715	T	98.4	Very high	97.6	Very high	53 Å²	53	47.6 Å²	47.6	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-58.3	-48.6	172.8	-62.5	0	0	0	0	111.1	T659 E661 E711 N712 S719	T659-T715 WeakPolarHBondContact O-CG2 3.04Å; E661-T715 HydrophobicContact CG-CG2 4.25Å; E711-T715 PolarHBondContact O-N 3.45Å; E711-T715 PolarHBondContact O-OG1 2.8Å; N712-T715 PolarHBondContact O-N 3.33Å; T715-S719 PolarHBondContact O-N 2.62Å; T715-S719 VanDerWaalsContact O-N 3.17Å; T715-S719 PolarHBondContact O-OG 3.13Å
716	F	98.6	Very high	97.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-53.9	175	173.2	-112.1	0	0	0	111.9	M656 F660 I693 M706 N712 R713 K718 S719 V720 L732 L751	M656-F716 HydrophobicContact CE-CD2 3.85Å; M656-F716 HydrophobicContact CE-CE2 3.76Å; M656-F716 HydrophobicContact CE-CZ 4.36Å; F660-F716 HydrophobicContact CB-CB 4.41Å; F660-F716 WeakPolarHBondContact O-CA 3.49Å; F660-F716 WeakPolarHBondContact O-CB 3.03Å; F660-F716 WeakPolarHBondContact O-CD2 3.34Å; I693-F716 HydrophobicContact CD1-CE2 3.68Å; I693-F716 HydrophobicContact CD1-CZ 4.15Å; I693-F716 HydrophobicContact CG2-CZ 4.29Å; M706-F716 HydrophobicContact CE-CB 4.44Å; M706-F716 HydrophobicContact CE-CD1 3.49Å; M706-F716 VanDerWaalsContact CE-CD1 3.49Å; M706-F716 HydrophobicContact CE-CD2 4.41Å; M706-F716 HydrophobicContact CE-CE1 3.72Å; M706-F716 HydrophobicContact CE-CG 3.86Å; M706-F716 HydrophobicContact CE-CZ 4.27Å; M706-F716 HydrophobicContact CG-CB 3.67Å; M706-F716 HydrophobicContact CG-CD1 4.46Å; M706-F716 HydrophobicContact CG-CG 4.02Å; M706-F716 HydrophobicContact SD-CB 3.76Å; M706-F716 HydrophobicContact SD-CD1 3.65Å; M706-F716 HydrophobicContact SD-CE1 4.46Å; M706-F716 HydrophobicContact SD-CG 3.82Å; N712-F716 PolarHBondContact O-N 2.95Å; R713-F716 PolarHBondContact O-N 3.21Å; F716-K718 VanDerWaalsContact C-N 3.34Å; F716-K718 PolarHBondContact O-N 3.29Å; F716-S719 PolarHBondContact O-N 3.43Å; F716-S719 VanDerWaalsContact O-N 3.13Å; F716-S719 PolarHBondContact O-OG 3.12Å; F716-V720 HydrophobicContact CD1-CG2 4.24Å; F716-V720 HydrophobicContact CD2-CG2 3.87Å; F716-V720 HydrophobicContact CE1-CG2 3.86Å; F716-V720 HydrophobicContact CE2-CG2 3.44Å; F716-V720 VanDerWaalsContact CE2-CG2 3.44Å; F716-V720 HydrophobicContact CG-CG2 4.26Å; F716-V720 HydrophobicContact CZ-CG2 3.45Å; F716-V720 VanDerWaalsContact CZ-CG2 3.45Å; F716-V720 WeakPolarHBondContact O-CG2 3.49Å; F716-V720 PolarHBondContact O-N 2.88Å; F716-L732 HydrophobicContact CZ-CD2 4.47Å; F716-L751 HydrophobicContact CD1-CD1 3.98Å; F716-L751 HydrophobicContact CE1-CD1 4.19Å
717	I	98.6	Very high	97.6	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-43.6	-176.7	-70.6	161.8	0	0	0	112	R713 Q714 V720 I721 E754 V755 S758	R713-I717 HydrophobicContact CB-CD1 4.3Å; R713-I717 WeakPolarHBondContact O-CB 3.27Å; R713-I717 VanDerWaalsContact O-CD1 3.3Å; R713-I717 WeakPolarHBondContact O-CD1 3.35Å; R713-I717 WeakPolarHBondContact O-CG1 3.4Å; R713-I717 PolarHBondContact O-N 3.06Å; Q714-I717 PolarHBondContact O-N 2.97Å; I717-V720 PolarHBondContact O-N 3.43Å; I717-I721 HydrophobicContact CG2-CD1 4.16Å; I717-I721 PolarHBondContact O-N 3.14Å; I717-I721 VanDerWaalsContact O-N 3.11Å; I717-E754 HydrophobicContact CD1-CB 3.45Å; I717-E754 VanDerWaalsContact CD1-CB 3.45Å; I717-V755 HydrophobicContact CD1-CG2 4.09Å; I717-V755 HydrophobicContact CG1-CG2 3.65Å; I717-S758 WeakPolarHBondContact CG2-OG 3.32Å
718	K	97.9	Very high	97.4	Very high	157 Å²	157	58.7 Å²	58.7	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-47	177.8	-174.4	-176.2	177	-173	0	110.8	Q714 F716 V720 I721 E722	Q714-K718 VanDerWaalsContact O-CB 3.3Å; Q714-K718 WeakPolarHBondContact O-CB 3.19Å; Q714-K718 PolarHBondContact O-N 3.22Å; F716-K718 VanDerWaalsContact C-N 3.34Å; F716-K718 PolarHBondContact O-N 3.29Å; K718-V720 VanDerWaalsContact C-N 3.31Å; K718-V720 PolarHBondContact O-N 2.93Å; K718-I721 PolarHBondContact O-N 3.18Å; K718-E722 PolarHBondContact O-N 2.9Å
719	S	98.5	Very high	97.6	Very high	14 Å²	14	53.2 Å²	53.2	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-39.6	178	76.8	0	0	0	0	111.8	E661 I662 T715 F716 E722 Y723	E661-S719 WeakPolarHBondContact CA-OG 3.37Å; I662-S719 PolarHBondContact N-OG 3.28Å; T715-S719 PolarHBondContact O-N 2.62Å; T715-S719 VanDerWaalsContact O-N 3.17Å; T715-S719 PolarHBondContact O-OG 3.13Å; F716-S719 PolarHBondContact O-N 3.43Å; F716-S719 VanDerWaalsContact O-N 3.13Å; F716-S719 PolarHBondContact O-OG 3.12Å; S719-E722 PolarHBondContact O-N 3.41Å; S719-Y723 WeakPolarHBondContact O-CB 3.45Å; S719-Y723 PolarHBondContact O-N 3.05Å
720	V	98.6	Very high	97.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-52.2	177.6	162.7	0	0	0	0	111.5	I662 F716 I717 K718 E722 Y723 L724 L732 F759	I662-V720 HydrophobicContact CB-CG2 4.28Å; I662-V720 HydrophobicContact CD1-CG2 4.17Å; I662-V720 HydrophobicContact CG2-CG2 4.3Å; F716-V720 HydrophobicContact CD1-CG2 4.24Å; F716-V720 HydrophobicContact CD2-CG2 3.87Å; F716-V720 HydrophobicContact CE1-CG2 3.86Å; F716-V720 HydrophobicContact CE2-CG2 3.44Å; F716-V720 VanDerWaalsContact CE2-CG2 3.44Å; F716-V720 HydrophobicContact CG-CG2 4.26Å; F716-V720 HydrophobicContact CZ-CG2 3.45Å; F716-V720 VanDerWaalsContact CZ-CG2 3.45Å; F716-V720 WeakPolarHBondContact O-CG2 3.49Å; F716-V720 PolarHBondContact O-N 2.88Å; I717-V720 PolarHBondContact O-N 3.43Å; K718-V720 VanDerWaalsContact C-N 3.31Å; K718-V720 PolarHBondContact O-N 2.93Å; V720-E722 VanDerWaalsContact C-N 3.31Å; V720-E722 PolarHBondContact O-N 3.23Å; V720-Y723 PolarHBondContact O-N 2.96Å; V720-L724 HydrophobicContact CG1-CD1 3.61Å; V720-L724 HydrophobicContact CG1-CG 4.12Å; V720-L724 WeakPolarHBondContact O-CB 3.32Å; V720-L724 VanDerWaalsContact O-CG 3.22Å; V720-L724 WeakPolarHBondContact O-CG 3.42Å; V720-L724 PolarHBondContact O-N 2.93Å; V720-L732 HydrophobicContact CG1-CD1 4.2Å; V720-L732 HydrophobicContact CG1-CD2 3.99Å; V720-F759 HydrophobicContact CG1-CE1 4.28Å; V720-F759 HydrophobicContact CG1-CZ 4.24Å
721	I	97.4	Very high	97.8	Very high	31 Å²	31	49.4 Å²	49.4	16%	0.159	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-45.7	-177.2	-68.7	168.7	0	0	0	110.3	I717 K718 R725 F759 E762	I717-I721 HydrophobicContact CG2-CD1 4.16Å; I717-I721 PolarHBondContact O-N 3.14Å; I717-I721 VanDerWaalsContact O-N 3.11Å; K718-I721 PolarHBondContact O-N 3.18Å; I721-R725 VanDerWaalsContact O-CG 3.3Å; I721-R725 WeakPolarHBondContact O-CG 3.45Å; I721-R725 PolarHBondContact O-N 3.09Å; I721-F759 HydrophobicContact CD1-CD1 4.23Å; I721-F759 HydrophobicContact CD1-CE1 4.44Å; I721-F759 HydrophobicContact CG1-CD1 3.94Å; I721-F759 HydrophobicContact CG1-CE1 3.75Å; I721-E762 HydrophobicContact CG2-CG 3.99Å
722	E	97.1	Very high	97.8	Very high	106 Å²	106	42.3 Å²	42.3	50%	0.495	19%	0.193	S	C	.	.	H	α-helix	trans	-62.2	-45.3	178.3	-174.3	174.8	175.6	0	0	111.7	K718 S719 V720 R725 R726	K718-E722 PolarHBondContact O-N 2.9Å; S719-E722 PolarHBondContact O-N 3.41Å; V720-E722 VanDerWaalsContact C-N 3.31Å; V720-E722 PolarHBondContact O-N 3.23Å; E722-R725 PolarHBondContact O-N 3.42Å; E722-R726 VanDerWaalsContact O-CB 3.24Å; E722-R726 WeakPolarHBondContact O-CB 3.49Å; E722-R726 PolarHBondContact O-N 2.86Å; E722-R726 IonicContact OE1-CZ 3.82Å; E722-R726 IonicContact OE1-NH2 3.76Å; E722-R726 PolarHBondContact OE1-NH2 3.35Å
723	Y	98.1	Very high	97.9	Very high	17 Å²	17	41.1 Å²	41.1	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-47	-177	-159.7	-93.9	0	0	0	112.4	I662 N664 Y674 L691 S719 V720 R725 R726 H727	I662-Y723 HydrophobicContact CD1-CD1 4.41Å; I662-Y723 HydrophobicContact CG1-CD1 4.37Å; I662-Y723 HydrophobicContact CG2-CD1 4.09Å; I662-Y723 HydrophobicContact CG2-CD2 4.02Å; I662-Y723 HydrophobicContact CG2-CG 3.57Å; N664-Y723 WeakPolarHBondContact CA-OH 3.36Å; N664-Y723 WeakPolarHBondContact CB-OH 3.41Å; N664-Y723 PolarHBondContact N-OH 3.14Å; Y674-Y723 AromaticContact CE2-CE1 3.88Å; Y674-Y723 HydrophobicContact CE2-CE1 3.88Å; Y674-Y723 WeakPolarHBondContact CE2-OH 3.44Å; L691-Y723 HydrophobicContact CD2-CD1 3.7Å; L691-Y723 HydrophobicContact CD2-CE1 3.77Å; S719-Y723 WeakPolarHBondContact O-CB 3.45Å; S719-Y723 PolarHBondContact O-N 3.05Å; V720-Y723 PolarHBondContact O-N 2.96Å; Y723-R725 VanDerWaalsContact C-N 3.32Å; Y723-R725 PolarHBondContact O-N 3.45Å; Y723-R726 PolarHBondContact O-N 3.32Å; Y723-H727 AromaticContact CD1-CD2 3.65Å; Y723-H727 AromaticContact CD2-CD2 3.93Å; Y723-H727 AromaticContact CD2-NE2 3.93Å; Y723-H727 AromaticContact CE1-CD2 3.51Å; Y723-H727 AromaticContact CE2-CD2 3.8Å; Y723-H727 AromaticContact CE2-NE2 3.56Å; Y723-H727 AromaticContact CG-CD2 3.84Å; Y723-H727 AromaticContact CZ-CD2 3.58Å; Y723-H727 AromaticContact CZ-NE2 3.64Å; Y723-H727 PolarHBondContact O-CD2 3.23Å; Y723-H727 PolarHBondContact O-N 2.94Å
724	L	98.2	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-44.7	177.7	-68.1	176.2	0	0	0	111.2	L691 V720 H727 E728 F729 G731 L732 F759 L771	L691-L724 HydrophobicContact CB-CD2 3.56Å; L691-L724 HydrophobicContact CD2-CD2 4.02Å; L691-L724 HydrophobicContact CG-CD2 4.43Å; V720-L724 HydrophobicContact CG1-CD1 3.61Å; V720-L724 HydrophobicContact CG1-CG 4.12Å; V720-L724 WeakPolarHBondContact O-CB 3.32Å; V720-L724 VanDerWaalsContact O-CG 3.22Å; V720-L724 WeakPolarHBondContact O-CG 3.42Å; V720-L724 PolarHBondContact O-N 2.93Å; L724-H727 CarbonylContact O-C 3.54Å; L724-H727 PolarHBondContact O-N 2.97Å; L724-E728 PolarHBondContact O-N 2.62Å; L724-F729 HydrophobicContact CB-CB 4.3Å; L724-F729 HydrophobicContact CD2-CB 3.68Å; L724-F729 HydrophobicContact CD2-CG 4.29Å; L724-F729 PolarHBondContact O-N 3.19Å; L724-G731 WeakPolarHBondContact CD2-O 3.42Å; L724-L732 HydrophobicContact CD1-CB 4.1Å; L724-F759 HydrophobicContact CD1-CE1 4.47Å; L724-F759 HydrophobicContact CD1-CZ 4.01Å; L724-L771 HydrophobicContact CB-CD1 4.45Å; L724-L771 HydrophobicContact CB-CD2 4.45Å; L724-L771 HydrophobicContact CD1-CD1 3.96Å; L724-L771 HydrophobicContact CD1-CD2 4.43Å
725	R	96.2	Very high	97.9	Very high	56 Å²	56	37.2 Å²	37.2	21%	0.211	17%	0.169	C	C	.	.	H	α-helix	trans	-69.1	-39.2	179.1	-66.6	-53.3	-167.4	-172.7	0	112.7	I721 E722 Y723 H727 E728 E762 S769	I721-R725 VanDerWaalsContact O-CG 3.3Å; I721-R725 WeakPolarHBondContact O-CG 3.45Å; I721-R725 PolarHBondContact O-N 3.09Å; E722-R725 PolarHBondContact O-N 3.42Å; Y723-R725 VanDerWaalsContact C-N 3.32Å; Y723-R725 PolarHBondContact O-N 3.45Å; R725-H727 VanDerWaalsContact C-N 3.28Å; R725-H727 PolarHBondContact O-N 2.8Å; R725-E728 PolarHBondContact O-N 3.31Å; R725-E762 IonicContact CZ-OE1 2.8Å; R725-E762 IonicContact CZ-OE2 3.24Å; R725-E762 IonicContact NE-OE1 3.81Å; R725-E762 PolarHBondContact NE-OE1 3.49Å; R725-E762 IonicContact NE-OE2 3.81Å; R725-E762 VanDerWaalsContact NH2-CD 3.32Å; R725-E762 IonicContact NH2-OE1 3.36Å; R725-E762 PolarHBondContact NH2-OE1 3.38Å; R725-E762 VanDerWaalsContact NH2-OE1 3.13Å; R725-E762 IonicContact NH2-OE2 2.78Å; R725-E762 PolarHBondContact NH2-OE2 3.49Å; R725-S769 PolarHBondContact NH2-O 3.31Å
726	R	96.9	Very high	97.9	Very high	152 Å²	152	34.9 Å²	34.9	57%	0.574	15%	0.154	S	C	*	.	H	α-helix	trans	-62.8	-35.7	178.1	-175.6	-176.8	-64.5	177.9	-2.3	112.4	E722 Y723	E722-R726 VanDerWaalsContact O-CB 3.24Å; E722-R726 WeakPolarHBondContact O-CB 3.49Å; E722-R726 PolarHBondContact O-N 2.86Å; E722-R726 IonicContact OE1-CZ 3.82Å; E722-R726 IonicContact OE1-NH2 3.76Å; E722-R726 PolarHBondContact OE1-NH2 3.35Å; Y723-R726 PolarHBondContact O-N 3.32Å
727	H	96.8	Very high	97.7	Very high	24 Å²	24	36 Å²	36	11%	0.111	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	17.5	-177.8	-59.1	-61	0	0	0	113.3	Y674 Y723 L724 R725 F729	Y674-H727 HydrophobicContact CD2-CB 3.88Å; Y674-H727 AromaticContact CD2-CG 3.71Å; Y674-H727 AromaticContact CD2-ND1 3.85Å; Y674-H727 HydrophobicContact CE2-CB 4.49Å; Y723-H727 AromaticContact CD1-CD2 3.65Å; Y723-H727 AromaticContact CD2-CD2 3.93Å; Y723-H727 AromaticContact CD2-NE2 3.93Å; Y723-H727 AromaticContact CE1-CD2 3.51Å; Y723-H727 AromaticContact CE2-CD2 3.8Å; Y723-H727 AromaticContact CE2-NE2 3.56Å; Y723-H727 AromaticContact CG-CD2 3.84Å; Y723-H727 AromaticContact CZ-CD2 3.58Å; Y723-H727 AromaticContact CZ-NE2 3.64Å; Y723-H727 PolarHBondContact O-CD2 3.23Å; Y723-H727 PolarHBondContact O-N 2.94Å; L724-H727 CarbonylContact O-C 3.54Å; L724-H727 PolarHBondContact O-N 2.97Å; R725-H727 VanDerWaalsContact C-N 3.28Å; R725-H727 PolarHBondContact O-N 2.8Å; H727-F729 VanDerWaalsContact C-N 3.3Å; H727-F729 HydrophobicContact CB-CD2 3.93Å; H727-F729 HydrophobicContact CB-CE2 4.01Å; H727-F729 PolarHBondContact O-N 2.72Å
728	E	95.5	Very high	97.5	Very high	123 Å²	123	37.4 Å²	37.4	58%	0.575	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	33.8	173.2	-54.9	-174.6	81	0	0	114.9	A678 K681 L724 R725	A678-E728 HydrophobicContact CB-CB 4.34Å; K681-E728 PolarHBondContact NZ-O 3.32Å; L724-E728 PolarHBondContact O-N 2.62Å; R725-E728 PolarHBondContact O-N 3.31Å
729	F	98	Very high	97.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.018	13%	0.134	C	C	.	.			trans	-83.5	146.7	170.9	-74.4	-79.9	0	0	0	111.9	F651 Y674 I677 L691 L724 H727 L771	F651-F729 HydrophobicContact CB-CE1 3.83Å; F651-F729 HydrophobicContact CB-CZ 4.04Å; F651-F729 HydrophobicContact CG-CE1 4.48Å; F651-F729 HydrophobicContact CG-CZ 4.24Å; Y674-F729 HydrophobicContact CD1-CE2 4.03Å; Y674-F729 AromaticContact CD1-CZ 3.89Å; Y674-F729 HydrophobicContact CD1-CZ 3.89Å; Y674-F729 HydrophobicContact CD2-CE2 4.26Å; Y674-F729 HydrophobicContact CE1-CE2 4.25Å; Y674-F729 HydrophobicContact CE1-CZ 4.16Å; Y674-F729 HydrophobicContact CE2-CE2 4.48Å; Y674-F729 HydrophobicContact CG-CE2 4.04Å; Y674-F729 HydrophobicContact CG-CZ 4.3Å; I677-F729 HydrophobicContact CG2-CE1 4.42Å; L691-F729 HydrophobicContact CB-CB 4.45Å; L691-F729 HydrophobicContact CB-CD1 3.93Å; L691-F729 HydrophobicContact CB-CD2 3.97Å; L691-F729 HydrophobicContact CB-CE1 4.11Å; L691-F729 HydrophobicContact CB-CE2 4.15Å; L691-F729 HydrophobicContact CB-CG 3.86Å; L691-F729 HydrophobicContact CB-CZ 4.21Å; L691-F729 HydrophobicContact CD1-CE1 4.33Å; L691-F729 HydrophobicContact CD1-CE2 3.95Å; L691-F729 HydrophobicContact CD1-CZ 3.8Å; L691-F729 HydrophobicContact CD2-CD2 4.3Å; L691-F729 HydrophobicContact CD2-CE2 4.26Å; L691-F729 HydrophobicContact CG-CE2 4.35Å; L724-F729 HydrophobicContact CB-CB 4.3Å; L724-F729 HydrophobicContact CD2-CB 3.68Å; L724-F729 HydrophobicContact CD2-CG 4.29Å; L724-F729 PolarHBondContact O-N 3.19Å; H727-F729 VanDerWaalsContact C-N 3.3Å; H727-F729 HydrophobicContact CB-CD2 3.93Å; H727-F729 HydrophobicContact CB-CE2 4.01Å; H727-F729 PolarHBondContact O-N 2.72Å; F729-L771 WeakPolarHBondContact O-CD2 3.29Å
730	D	97.6	Very high	96.7	Very high	35 Å²	35	34.8 Å²	34.8	19%	0.187	15%	0.154	C	C	.	.	S	Bend	trans	-91.6	-5.8	-178.9	-55.4	-67.9	0	0	0	113.1	K681 K688 T689 L771 L772	K681-D730 WeakPolarHBondContact CD-OD2 3.39Å; K681-D730 IonicContact NZ-OD1 2.84Å; K681-D730 IonicContact NZ-OD2 2.64Å; K681-D730 PolarHBondContact NZ-OD2 3.27Å; K688-D730 HydrophobicContact CB-CB 4.33Å; T689-D730 PolarHBondContact N-OD2 2.84Å; T689-D730 WeakPolarHBondContact O-CA 3.04Å; T689-D730 WeakPolarHBondContact O-CB 3.38Å; T689-D730 PolarHBondContact O-N 2.9Å; T689-D730 PolarHBondContact OG1-OD2 2.85Å; D730-L771 WeakPolarHBondContact O-CA 3.37Å; D730-L772 PolarHBondContact O-N 2.98Å
731	G	98.5	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-178.9	177.4	0	0	0	0	0	114.9	L690 L691 L724 L772	L690-G731 WeakPolarHBondContact CA-O 3.28Å; L691-G731 PolarHBondContact N-O 3.43Å; L724-G731 WeakPolarHBondContact CD2-O 3.42Å; G731-L772 CarbonylContact C-O 3.6Å; G731-L772 WeakPolarHBondContact CA-O 3.34Å
732	L	98.8	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133	177.1	-174	73	0	0	0	109.8	I662 I693 F716 V720 L724 I734 V755 F759 L772 L773 T774	I662-L732 HydrophobicContact CD1-CD1 4.47Å; I693-L732 HydrophobicContact CG2-CD1 4.03Å; F716-L732 HydrophobicContact CZ-CD2 4.47Å; V720-L732 HydrophobicContact CG1-CD1 4.2Å; V720-L732 HydrophobicContact CG1-CD2 3.99Å; L724-L732 HydrophobicContact CD1-CB 4.1Å; L732-I734 HydrophobicContact CD2-CD1 3.76Å; L732-I734 HydrophobicContact CD2-CG1 3.58Å; L732-I734 HydrophobicContact CG-CG1 3.95Å; L732-V755 HydrophobicContact CD2-CG1 4.4Å; L732-F759 HydrophobicContact CB-CE2 4.34Å; L732-F759 HydrophobicContact CB-CZ 4.08Å; L732-L772 PolarHBondContact N-O 2.85Å; L732-L773 HydrophobicContact CB-CD1 4.31Å; L732-L773 HydrophobicContact CD2-CD1 4.26Å; L732-L773 WeakPolarHBondContact O-CA 3.26Å; L732-T774 PolarHBondContact O-N 3.08Å
733	D	98.9	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.3	163.6	-173.7	56.7	0	0	0	108.9	Y622 F650 L691 S692 I693 T774 A775	Y622-D733 PolarHBondContact OH-OD2 2.95Å; F650-D733 HydrophobicContact CD1-CB 3.89Å; F650-D733 HydrophobicContact CE1-CB 4.4Å; L691-D733 PolarHBondContact O-N 3.15Å; S692-D733 CarbonylContact C-O 3.51Å; S692-D733 VanDerWaalsContact CA-O 3.28Å; S692-D733 WeakPolarHBondContact CA-O 3.46Å; S692-D733 PolarHBondContact OG-OD2 2.93Å; I693-D733 PolarHBondContact N-O 2.91Å; D733-T774 WeakPolarHBondContact CA-OG1 3.37Å; D733-T774 VanDerWaalsContact CB-OG1 3.29Å; D733-T774 WeakPolarHBondContact CB-OG1 3.35Å; D733-T774 WeakPolarHBondContact OD1-CB 3.47Å; D733-T774 PolarHBondContact OD1-OG1 3.26Å; D733-A775 WeakPolarHBondContact OD1-CA 3.47Å; D733-A775 PolarHBondContact OD1-N 2.71Å
734	I	98.7	Very high	95.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.4	177.6	-60.2	-176.3	0	0	0	108.7	I693 F703 L732 W736 L751 F752 T774 A775 A776	I693-I734 HydrophobicContact CG2-CG1 4.35Å; F703-I734 HydrophobicContact CE1-CG2 3.89Å; F703-I734 HydrophobicContact CZ-CG2 4.18Å; L732-I734 HydrophobicContact CD2-CD1 3.76Å; L732-I734 HydrophobicContact CD2-CG1 3.58Å; L732-I734 HydrophobicContact CG-CG1 3.95Å; I734-W736 HydrophobicContact CG2-CB 4.34Å; I734-L751 HydrophobicContact CD1-CD2 4.18Å; I734-L751 HydrophobicContact CD1-CG 4.47Å; I734-F752 HydrophobicContact CB-CE1 3.96Å; I734-F752 HydrophobicContact CB-CZ 3.84Å; I734-F752 HydrophobicContact CD1-CD1 4.28Å; I734-F752 HydrophobicContact CD1-CE1 3.72Å; I734-F752 HydrophobicContact CD1-CZ 4.14Å; I734-F752 HydrophobicContact CG1-CE1 4.09Å; I734-F752 HydrophobicContact CG1-CZ 4.42Å; I734-F752 HydrophobicContact CG2-CZ 4.16Å; I734-T774 PolarHBondContact N-O 2.93Å; I734-A775 WeakPolarHBondContact O-CA 3.22Å; I734-A775 WeakPolarHBondContact O-CB 3.43Å; I734-A776 PolarHBondContact O-N 2.89Å
735	D	98.4	Very high	95.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	70.1	179.7	-167.7	12.2	0	0	0	110.4	F653 I693 G694 G695 E737 A776	F653-D735 HydrophobicContact CE1-CB 4.16Å; F653-D735 WeakPolarHBondContact CE1-OD2 3.29Å; I693-D735 PolarHBondContact O-N 3.44Å; G694-D735 WeakPolarHBondContact CA-O 3.34Å; G695-D735 WeakPolarHBondContact CA-OD2 3.27Å; G695-D735 PolarHBondContact N-O 3.04Å; D735-E737 PolarHBondContact O-N 3.15Å; D735-E737 WeakPolarHBondContact OD1-CG 3.23Å; D735-A776 HydrophobicContact CB-CB 4.07Å; D735-A776 VanDerWaalsContact OD1-CB 3.25Å; D735-A776 WeakPolarHBondContact OD1-CB 3.29Å
736	W	97.7	Very high	95.9	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.011	20%	0.199	C	C	.	.			trans	-83.3	104.8	176.9	-179.2	-9.3	0	0	0	109.2	F703 K704 A707 I734 Y738 P739 D744 M748	F703-W736 HydrophobicContact CB-CD2 3.5Å; F703-W736 VanDerWaalsContact CB-CD2 3.5Å; F703-W736 HydrophobicContact CB-CE3 3.84Å; F703-W736 HydrophobicContact CB-CG 3.89Å; F703-W736 HydrophobicContact CB-CH2 4.28Å; F703-W736 HydrophobicContact CB-CZ2 3.98Å; F703-W736 HydrophobicContact CB-CZ3 4.21Å; F703-W736 HydrophobicContact CD1-CB 4.4Å; F703-W736 HydrophobicContact CD1-CD2 4.33Å; F703-W736 HydrophobicContact CD1-CE3 4.24Å; F703-W736 HydrophobicContact CD1-CG 4.4Å; F703-W736 HydrophobicContact CD2-CB 3.88Å; F703-W736 AromaticContact CD2-CD1 3.88Å; F703-W736 HydrophobicContact CD2-CD2 4.27Å; F703-W736 AromaticContact CD2-CG 3.73Å; F703-W736 HydrophobicContact CD2-CG 3.73Å; F703-W736 HydrophobicContact CE2-CB 3.98Å; F703-W736 HydrophobicContact CE2-CG 4.34Å; F703-W736 HydrophobicContact CG-CB 4.1Å; F703-W736 AromaticContact CG-CD2 3.81Å; F703-W736 HydrophobicContact CG-CD2 3.81Å; F703-W736 HydrophobicContact CG-CE3 4.15Å; F703-W736 AromaticContact CG-CG 3.76Å; F703-W736 HydrophobicContact CG-CG 3.76Å; F703-W736 HydrophobicContact CZ-CB 4.3Å; K704-W736 HydrophobicContact CG-CH2 4.46Å; K704-W736 HydrophobicContact CG-CZ2 3.7Å; A707-W736 HydrophobicContact CB-CH2 4.08Å; A707-W736 HydrophobicContact CB-CZ3 3.91Å; I734-W736 HydrophobicContact CG2-CB 4.34Å; W736-Y738 PolarHBondContact NE1-O 3.22Å; W736-Y738 WeakPolarHBondContact O-CA 3.37Å; W736-P739 HydrophobicContact CD2-CG 3.87Å; W736-P739 HydrophobicContact CE3-CG 4.32Å; W736-P739 HydrophobicContact CG-CG 4.11Å; W736-P739 HydrophobicContact CZ2-CB 4.22Å; W736-P739 HydrophobicContact CZ2-CG 4.34Å; W736-P739 WeakPolarHBondContact O-CD 3.48Å; W736-D744 HydrophobicContact CH2-CB 4.12Å; W736-D744 HydrophobicContact CZ2-CB 4.03Å; W736-M748 HydrophobicContact CB-CE 4.04Å; W736-M748 HydrophobicContact CD2-CE 4.05Å; W736-M748 HydrophobicContact CE3-CE 3.74Å; W736-M748 HydrophobicContact CG-CE 4.23Å; W736-M748 HydrophobicContact CZ3-CB 4.11Å; W736-M748 HydrophobicContact CZ3-CE 4.5Å
737	E	95.5	Very high	95.9	Very high	25 Å²	25	38.1 Å²	38.1	12%	0.117	18%	0.175	C	C	.	.	S	Bend	trans	-108.6	94.5	-179.6	-64.6	-161.9	-108.8	0	0	113.5	G695 W696 T700 D735 M803	G695-E737 WeakPolarHBondContact CA-OE1 3.17Å; W696-E737 HydrophobicContact CE3-CB 4.5Å; W696-E737 PolarHBondContact N-OE1 3.18Å; T700-E737 VanDerWaalsContact CG2-O 3.28Å; T700-E737 WeakPolarHBondContact CG2-O 3.22Å; D735-E737 PolarHBondContact O-N 3.15Å; D735-E737 WeakPolarHBondContact OD1-CG 3.23Å; E737-M803 HydrophobicContact CG-CE 4.19Å
738	Y	93.3	Very high	96	Very high	32 Å²	32	37.3 Å²	37.3	13%	0.125	17%	0.171	C	C	.	.			cis	-131.6	158	-13.1	-61.5	-87.2	0	0	0	109.5	W696 T700 W736 K783 Y788 M803	W696-Y738 HydrophobicContact CZ3-CE2 4.23Å; T700-Y738 WeakPolarHBondContact CG2-O 3.37Å; W736-Y738 PolarHBondContact NE1-O 3.22Å; W736-Y738 WeakPolarHBondContact O-CA 3.37Å; Y738-K783 HydrophobicContact CD1-CD 4.37Å; Y738-K783 HydrophobicContact CD2-CD 4.28Å; Y738-K783 HydrophobicContact CG-CD 3.98Å; Y738-K783 VanDerWaalsContact CG-NZ 3.33Å; Y738-Y788 VanDerWaalsContact CD1-OH 3.32Å; Y738-Y788 WeakPolarHBondContact CD1-OH 3.4Å; Y738-M803 HydrophobicContact CE1-CE 3.65Å; Y738-M803 WeakPolarHBondContact OH-CE 3.45Å
739	P	93	Very high	96.1	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.019	15%	0.151	C	C	.	.			trans	-54.8	145.7	164.3	-18.4	30.3	0	0	0	109.2	W736 D744 M748 V787	W736-P739 HydrophobicContact CD2-CG 3.87Å; W736-P739 HydrophobicContact CE3-CG 4.32Å; W736-P739 HydrophobicContact CG-CG 4.11Å; W736-P739 HydrophobicContact CZ2-CB 4.22Å; W736-P739 HydrophobicContact CZ2-CG 4.34Å; W736-P739 WeakPolarHBondContact O-CD 3.48Å; P739-D744 HydrophobicContact CB-CB 3.74Å; P739-M748 HydrophobicContact CG-CE 3.2Å; P739-M748 HydrophobicContact CG-SD 3.86Å; P739-V787 HydrophobicContact CB-CB 4.11Å; P739-V787 HydrophobicContact CB-CG2 4.41Å; P739-V787 WeakPolarHBondContact O-CB 3.42Å; P739-V787 VanDerWaalsContact O-CG1 3.31Å; P739-V787 WeakPolarHBondContact O-CG1 3.44Å; P739-V787 WeakPolarHBondContact O-CG2 3.24Å
740	E	87.7	Confident	96.1	Very high	113 Å²	113	37 Å²	37	53%	0.528	17%	0.17	S	C	.	.			trans	-115.1	-22.4	-169.4	-73.8	168.8	-141.9	0	0	113.6	T700 K704 D744	T700-E740 PolarHBondContact OG1-OE1 3.39Å; K704-E740 IonicContact NZ-OE1 2.64Å; K704-E740 PolarHBondContact NZ-OE1 2.85Å; K704-E740 IonicContact NZ-OE2 3.11Å; K704-E740 PolarHBondContact NZ-OE2 2.85Å; E740-D744 PolarHBondContact N-OD2 2.91Å
741	N	90.7	Very high	96.1	Very high	67 Å²	67	35.4 Å²	35.4	36%	0.358	16%	0.161	S	C	.	.	S	Bend	trans	-147	175.3	-172.4	63	53.3	0	0	0	113	E743 D744 K745	N741-E743 VanDerWaalsContact C-N 3.25Å; N741-E743 PolarHBondContact O-N 3.33Å; N741-E743 WeakPolarHBondContact OD1-CA 3.27Å; N741-E743 WeakPolarHBondContact OD1-CB 3.4Å; N741-E743 PolarHBondContact OD1-N 3.3Å; N741-D744 PolarHBondContact ND2-OD2 3.45Å; N741-D744 PolarHBondContact O-N 3.16Å; N741-D744 PolarHBondContact OD1-N 3.5Å; N741-K745 PolarHBondContact O-N 3.3Å
742	E	91.4	Very high	96.1	Very high	94 Å²	94	35.5 Å²	35.5	44%	0.439	16%	0.162	S	C	.	.	H	α-helix	trans	-62.6	-25.7	-179.7	-80.6	-66.1	147.4	0	0	114	K745 R746	E742-K745 IonicContact OE1-NZ 3.99Å; E742-K745 PolarHBondContact OE1-NZ 3.49Å; E742-K745 IonicContact OE2-NZ 2.81Å; E742-R746 WeakPolarHBondContact O-CG 3.27Å; E742-R746 PolarHBondContact O-N 2.73Å; E742-R746 PolarHBondContact O-NH1 3.09Å; E742-R746 VanDerWaalsContact O-NH1 3.09Å
743	E	95.8	Very high	96.1	Very high	86 Å²	86	39.3 Å²	39.3	40%	0.402	18%	0.179	S	C	.	.	H	α-helix	trans	-72.1	-47.1	173	175	170.8	-141.5	0	0	111.2	F708 N741 K745 R746 N747	F708-E743 WeakPolarHBondContact CE2-OE1 3.43Å; N741-E743 VanDerWaalsContact C-N 3.25Å; N741-E743 PolarHBondContact O-N 3.33Å; N741-E743 WeakPolarHBondContact OD1-CA 3.27Å; N741-E743 WeakPolarHBondContact OD1-CB 3.4Å; N741-E743 PolarHBondContact OD1-N 3.3Å; E743-K745 VanDerWaalsContact C-N 3.29Å; E743-K745 PolarHBondContact O-N 2.87Å; E743-R746 PolarHBondContact O-N 2.95Å; E743-N747 WeakPolarHBondContact CG-ND2 3.3Å; E743-N747 WeakPolarHBondContact O-CB 3.38Å; E743-N747 VanDerWaalsContact O-CG 3.29Å; E743-N747 PolarHBondContact O-N 3.49Å; E743-N747 PolarHBondContact O-ND2 3Å
744	D	96.3	Very high	96.1	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-42.4	175.4	-59.7	-26.1	0	0	0	110.9	K704 W736 P739 E740 N741 R746 N747 M748	K704-D744 WeakPolarHBondContact CE-OD2 3.33Å; K704-D744 IonicContact NZ-OD2 3.31Å; W736-D744 HydrophobicContact CH2-CB 4.12Å; W736-D744 HydrophobicContact CZ2-CB 4.03Å; P739-D744 HydrophobicContact CB-CB 3.74Å; E740-D744 PolarHBondContact N-OD2 2.91Å; N741-D744 PolarHBondContact ND2-OD2 3.45Å; N741-D744 PolarHBondContact O-N 3.16Å; N741-D744 PolarHBondContact OD1-N 3.5Å; D744-R746 PolarHBondContact O-N 3.38Å; D744-N747 PolarHBondContact O-N 2.88Å; D744-M748 VanDerWaalsContact O-CB 3.24Å; D744-M748 WeakPolarHBondContact O-CB 3.32Å; D744-M748 PolarHBondContact O-N 3.08Å
745	K	96.4	Very high	96.1	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.139	19%	0.186	C	C	.	.	H	α-helix	trans	-55.8	-49	174.9	177.3	173.3	167.3	-175.5	0	112.3	N741 E742 E743 V749 T786 V787 Y788 D789	N741-K745 PolarHBondContact O-N 3.3Å; E742-K745 IonicContact OE1-NZ 3.99Å; E742-K745 PolarHBondContact OE1-NZ 3.49Å; E742-K745 IonicContact OE2-NZ 2.81Å; E743-K745 VanDerWaalsContact C-N 3.29Å; E743-K745 PolarHBondContact O-N 2.87Å; K745-V749 WeakPolarHBondContact O-CG2 3.39Å; K745-V749 PolarHBondContact O-N 3.1Å; K745-T786 WeakPolarHBondContact CD-O 3.08Å; K745-V787 WeakPolarHBondContact CB-O 3.32Å; K745-V787 WeakPolarHBondContact CG-O 3.41Å; K745-Y788 WeakPolarHBondContact CE-O 3.48Å; K745-D789 HydrophobicContact CG-CB 4.22Å
746	R	97.2	Very high	96.1	Very high	134 Å²	134	42.4 Å²	42.4	51%	0.506	19%	0.192	S	C	.	.	H	α-helix	trans	-66.5	-40.3	177	-71.7	-172	-58.6	-86.2	1.6	112.2	E742 E743 D744 V749 K750	E742-R746 WeakPolarHBondContact O-CG 3.27Å; E742-R746 PolarHBondContact O-N 2.73Å; E742-R746 PolarHBondContact O-NH1 3.09Å; E742-R746 VanDerWaalsContact O-NH1 3.09Å; E743-R746 PolarHBondContact O-N 2.95Å; D744-R746 PolarHBondContact O-N 3.38Å; R746-V749 PolarHBondContact O-N 2.98Å; R746-K750 WeakPolarHBondContact O-CG 3.26Å; R746-K750 PolarHBondContact O-N 2.77Å; R746-K750 VanDerWaalsContact O-N 3.1Å
747	N	98	Very high	96.1	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-33.6	-179.2	-72	-20.5	0	0	0	112	A707 E743 D744 K750 L751	A707-N747 HydrophobicContact CB-CB 3.98Å; E743-N747 WeakPolarHBondContact CG-ND2 3.3Å; E743-N747 WeakPolarHBondContact O-CB 3.38Å; E743-N747 VanDerWaalsContact O-CG 3.29Å; E743-N747 PolarHBondContact O-N 3.49Å; E743-N747 PolarHBondContact O-ND2 3Å; D744-N747 PolarHBondContact O-N 2.88Å; N747-K750 PolarHBondContact O-N 2.92Å; N747-L751 WeakPolarHBondContact O-CB 3.43Å; N747-L751 PolarHBondContact O-N 3.26Å
748	M	97.7	Very high	96.2	Very high	8 Å²	8	44 Å²	44	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-47.6	170.2	174.3	178.2	-94	0	0	111.2	W736 P739 D744 K750 L751 F752 Y788 L793	W736-M748 HydrophobicContact CB-CE 4.04Å; W736-M748 HydrophobicContact CD2-CE 4.05Å; W736-M748 HydrophobicContact CE3-CE 3.74Å; W736-M748 HydrophobicContact CG-CE 4.23Å; W736-M748 HydrophobicContact CZ3-CB 4.11Å; W736-M748 HydrophobicContact CZ3-CE 4.5Å; P739-M748 HydrophobicContact CG-CE 3.2Å; P739-M748 HydrophobicContact CG-SD 3.86Å; D744-M748 VanDerWaalsContact O-CB 3.24Å; D744-M748 WeakPolarHBondContact O-CB 3.32Å; D744-M748 PolarHBondContact O-N 3.08Å; M748-K750 VanDerWaalsContact C-N 3.33Å; M748-K750 PolarHBondContact O-N 3.01Å; M748-L751 WeakPolarHBondContact O-CB 3.42Å; M748-L751 PolarHBondContact O-N 3.08Å; M748-F752 HydrophobicContact CE-CE2 4.13Å; M748-F752 HydrophobicContact CG-CD2 3.58Å; M748-F752 HydrophobicContact CG-CE2 3.45Å; M748-F752 VanDerWaalsContact CG-CE2 3.45Å; M748-F752 VanDerWaalsContact O-CD2 3.26Å; M748-F752 WeakPolarHBondContact O-CD2 3.35Å; M748-F752 PolarHBondContact O-N 3.31Å; M748-F752 HydrophobicContact SD-CE2 3.98Å; M748-Y788 HydrophobicContact CE-CE1 4.44Å; M748-Y788 HydrophobicContact SD-CD1 4.05Å; M748-Y788 HydrophobicContact SD-CE1 4.25Å; M748-L793 HydrophobicContact CG-CD2 4.46Å; M748-L793 HydrophobicContact SD-CD1 4.49Å
749	V	98	Very high	96.4	Very high	24 Å²	24	42.5 Å²	42.5	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-44.2	176.2	174.3	0	0	0	0	111.2	K745 R746 L751 F752 Q753 D789 N792 L796	K745-V749 WeakPolarHBondContact O-CG2 3.39Å; K745-V749 PolarHBondContact O-N 3.1Å; R746-V749 PolarHBondContact O-N 2.98Å; V749-L751 PolarHBondContact O-N 2.88Å; V749-F752 PolarHBondContact O-N 3.2Å; V749-Q753 VanDerWaalsContact O-CB 3.3Å; V749-Q753 WeakPolarHBondContact O-CB 3.27Å; V749-Q753 PolarHBondContact O-N 3.44Å; V749-D789 HydrophobicContact CG2-CB 3.62Å; V749-N792 HydrophobicContact CG1-CB 4.01Å; V749-N792 HydrophobicContact CG2-CB 4.33Å; V749-L796 HydrophobicContact CG1-CD1 4.22Å
750	K	98.4	Very high	96.6	Very high	97 Å²	97	46.2 Å²	46.2	42%	0.422	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-43.7	175.7	-69.2	173	-174	169.9	0	112	R746 N747 M748 Q753 E754	R746-K750 WeakPolarHBondContact O-CG 3.26Å; R746-K750 PolarHBondContact O-N 2.77Å; R746-K750 VanDerWaalsContact O-N 3.1Å; N747-K750 PolarHBondContact O-N 2.92Å; M748-K750 VanDerWaalsContact C-N 3.33Å; M748-K750 PolarHBondContact O-N 3.01Å; K750-Q753 PolarHBondContact O-N 2.83Å; K750-E754 WeakPolarHBondContact O-CB 3.17Å; K750-E754 WeakPolarHBondContact O-CG 3.36Å; K750-E754 PolarHBondContact O-N 3.34Å
751	L	98.6	Very high	97	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-54	175.9	174.2	64.6	0	0	0	111.4	M706 R713 F716 I734 N747 M748 V749 Q753 E754 V755	M706-L751 HydrophobicContact CE-CD1 3.84Å; M706-L751 HydrophobicContact CE-CD2 3.66Å; M706-L751 HydrophobicContact CE-CG 4.41Å; M706-L751 HydrophobicContact SD-CD1 3.77Å; M706-L751 HydrophobicContact SD-CD2 4.45Å; R713-L751 HydrophobicContact CG-CD1 4.26Å; F716-L751 HydrophobicContact CD1-CD1 3.98Å; F716-L751 HydrophobicContact CE1-CD1 4.19Å; I734-L751 HydrophobicContact CD1-CD2 4.18Å; I734-L751 HydrophobicContact CD1-CG 4.47Å; N747-L751 WeakPolarHBondContact O-CB 3.43Å; N747-L751 PolarHBondContact O-N 3.26Å; M748-L751 WeakPolarHBondContact O-CB 3.42Å; M748-L751 PolarHBondContact O-N 3.08Å; V749-L751 PolarHBondContact O-N 2.88Å; L751-Q753 VanDerWaalsContact C-N 3.31Å; L751-Q753 PolarHBondContact O-N 2.91Å; L751-E754 PolarHBondContact O-N 3.01Å; L751-V755 HydrophobicContact CD1-CG2 3.95Å; L751-V755 HydrophobicContact CG-CG2 4.39Å; L751-V755 WeakPolarHBondContact O-CG2 3.29Å; L751-V755 PolarHBondContact O-N 2.7Å
752	F	98.6	Very high	97.1	Very high	2 Å²	2	43 Å²	43	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-37.7	179.9	-78.3	-68.2	0	0	0	112.5	I734 M748 V749 R756 L773 A775 L793 L796 L797	I734-F752 HydrophobicContact CB-CE1 3.96Å; I734-F752 HydrophobicContact CB-CZ 3.84Å; I734-F752 HydrophobicContact CD1-CD1 4.28Å; I734-F752 HydrophobicContact CD1-CE1 3.72Å; I734-F752 HydrophobicContact CD1-CZ 4.14Å; I734-F752 HydrophobicContact CG1-CE1 4.09Å; I734-F752 HydrophobicContact CG1-CZ 4.42Å; I734-F752 HydrophobicContact CG2-CZ 4.16Å; M748-F752 HydrophobicContact CE-CE2 4.13Å; M748-F752 HydrophobicContact CG-CD2 3.58Å; M748-F752 HydrophobicContact CG-CE2 3.45Å; M748-F752 VanDerWaalsContact CG-CE2 3.45Å; M748-F752 VanDerWaalsContact O-CD2 3.26Å; M748-F752 WeakPolarHBondContact O-CD2 3.35Å; M748-F752 PolarHBondContact O-N 3.31Å; M748-F752 HydrophobicContact SD-CE2 3.98Å; V749-F752 PolarHBondContact O-N 3.2Å; F752-R756 WeakPolarHBondContact O-CB 3.5Å; F752-R756 PolarHBondContact O-N 3.26Å; F752-L773 HydrophobicContact CD1-CD1 4.07Å; F752-L773 HydrophobicContact CD1-CD2 3.94Å; F752-L773 HydrophobicContact CD1-CG 4.01Å; F752-L773 HydrophobicContact CE1-CD1 4.18Å; F752-L773 HydrophobicContact CE1-CG 4.41Å; F752-A775 HydrophobicContact CE1-CB 4.15Å; F752-A775 HydrophobicContact CZ-CB 3.71Å; F752-L793 HydrophobicContact CD2-CD2 3.56Å; F752-L793 HydrophobicContact CE2-CD2 4.04Å; F752-L793 HydrophobicContact CG-CD2 4.25Å; F752-L796 HydrophobicContact CB-CB 4.27Å; F752-L796 HydrophobicContact CB-CD1 3.89Å; F752-L797 HydrophobicContact CD1-CD2 3.41Å; F752-L797 VanDerWaalsContact CD1-CD2 3.41Å; F752-L797 HydrophobicContact CD1-CG 4.46Å; F752-L797 HydrophobicContact CE1-CD2 3.43Å; F752-L797 VanDerWaalsContact CE1-CD2 3.43Å; F752-L797 HydrophobicContact CG-CD2 4.15Å; F752-L797 HydrophobicContact CZ-CD2 4.17Å
753	Q	98.5	Very high	97.3	Very high	79 Å²	79	43.9 Å²	43.9	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-61.2	-51.1	174.6	-179.5	69.4	72.5	0	0	111	V749 K750 L751 V755 R756 D757 L796	V749-Q753 VanDerWaalsContact O-CB 3.3Å; V749-Q753 WeakPolarHBondContact O-CB 3.27Å; V749-Q753 PolarHBondContact O-N 3.44Å; K750-Q753 PolarHBondContact O-N 2.83Å; L751-Q753 VanDerWaalsContact C-N 3.31Å; L751-Q753 PolarHBondContact O-N 2.91Å; Q753-V755 PolarHBondContact O-N 2.99Å; Q753-R756 PolarHBondContact O-N 2.77Å; Q753-D757 PolarHBondContact NE2-OD1 3.17Å; Q753-D757 PolarHBondContact NE2-OD2 3.44Å; Q753-D757 WeakPolarHBondContact O-CB 3.36Å; Q753-D757 PolarHBondContact O-N 3.01Å; Q753-L796 HydrophobicContact CB-CD1 4.11Å; Q753-L796 HydrophobicContact CB-CD2 4.11Å; Q753-L796 HydrophobicContact CG-CD2 4.47Å
754	E	98.6	Very high	97.2	Very high	31 Å²	31	47.9 Å²	47.9	15%	0.145	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-36.1	-177.5	-71.2	176.4	-143.6	0	0	112.8	R713 Q714 I717 K750 L751 S758	R713-E754 IonicContact CZ-OE1 2.63Å; R713-E754 VanDerWaalsContact NE-CD 3.3Å; R713-E754 IonicContact NE-OE1 2.68Å; R713-E754 PolarHBondContact NE-OE1 3.43Å; R713-E754 IonicContact NE-OE2 3.18Å; R713-E754 PolarHBondContact NE-OE2 3.09Å; R713-E754 IonicContact NH2-OE1 2.93Å; R713-E754 PolarHBondContact NH2-OE1 3.03Å; Q714-E754 PolarHBondContact NE2-OE2 2.68Å; I717-E754 HydrophobicContact CD1-CB 3.45Å; I717-E754 VanDerWaalsContact CD1-CB 3.45Å; K750-E754 WeakPolarHBondContact O-CB 3.17Å; K750-E754 WeakPolarHBondContact O-CG 3.36Å; K750-E754 PolarHBondContact O-N 3.34Å; L751-E754 PolarHBondContact O-N 3.01Å; E754-S758 WeakPolarHBondContact O-CB 3.45Å; E754-S758 PolarHBondContact O-N 3.14Å; E754-S758 PolarHBondContact O-OG 2.76Å
755	V	98.5	Very high	97	Very high	1 Å²	1	52 Å²	52	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-50.7	171.8	176.2	0	0	0	0	109.8	I717 L732 L751 Q753 D757 S758 F759 L773	I717-V755 HydrophobicContact CD1-CG2 4.09Å; I717-V755 HydrophobicContact CG1-CG2 3.65Å; L732-V755 HydrophobicContact CD2-CG1 4.4Å; L751-V755 HydrophobicContact CD1-CG2 3.95Å; L751-V755 HydrophobicContact CG-CG2 4.39Å; L751-V755 WeakPolarHBondContact O-CG2 3.29Å; L751-V755 PolarHBondContact O-N 2.7Å; Q753-V755 PolarHBondContact O-N 2.99Å; V755-D757 PolarHBondContact O-N 2.92Å; V755-S758 PolarHBondContact O-N 3Å; V755-S758 VanDerWaalsContact O-N 3.15Å; V755-F759 HydrophobicContact CG1-CD1 4.37Å; V755-F759 HydrophobicContact CG1-CD2 4.23Å; V755-F759 HydrophobicContact CG1-CE1 3.93Å; V755-F759 HydrophobicContact CG1-CE2 3.79Å; V755-F759 HydrophobicContact CG1-CZ 3.63Å; V755-F759 WeakPolarHBondContact O-CG 3.49Å; V755-F759 PolarHBondContact O-N 3.09Å; V755-L773 HydrophobicContact CB-CD1 4.46Å; V755-L773 HydrophobicContact CB-CD2 4.06Å; V755-L773 HydrophobicContact CG1-CD1 3.66Å; V755-L773 HydrophobicContact CG1-CD2 3.82Å; V755-L773 HydrophobicContact CG1-CG 4.33Å
756	R	98	Very high	96.8	Very high	39 Å²	39	56.8 Å²	56.8	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-47	-179.5	-179.6	60.2	173.7	-159.7	-1.1	111.8	F752 Q753 S758 F759 I760 R770 L773 L796 D798	F752-R756 WeakPolarHBondContact O-CB 3.5Å; F752-R756 PolarHBondContact O-N 3.26Å; Q753-R756 PolarHBondContact O-N 2.77Å; R756-S758 VanDerWaalsContact C-N 3.29Å; R756-S758 PolarHBondContact O-N 3.26Å; R756-F759 PolarHBondContact O-N 2.89Å; R756-I760 HydrophobicContact CG-CD1 4.1Å; R756-I760 WeakPolarHBondContact O-CG1 3.43Å; R756-I760 PolarHBondContact O-N 3.39Å; R756-R770 VanDerWaalsContact CZ-CZ 3.45Å; R756-L773 HydrophobicContact CB-CD2 3.96Å; R756-L796 HydrophobicContact CB-CD2 4.49Å; R756-L796 WeakPolarHBondContact CD-O 3.46Å; R756-D798 IonicContact CZ-OD1 3.65Å; R756-D798 VanDerWaalsContact NH1-CG 3.32Å; R756-D798 IonicContact NH1-OD1 3.59Å; R756-D798 PolarHBondContact NH1-OD1 2.66Å; R756-D798 IonicContact NH1-OD2 2.71Å; R756-D798 PolarHBondContact NH1-OD2 3.19Å; R756-D798 VanDerWaalsContact NH1-OD2 3.09Å; R756-D798 IonicContact NH2-OD1 2.92Å; R756-D798 PolarHBondContact NH2-OD1 3.17Å
757	D	97.7	Very high	96.2	Very high	54 Å²	54	53.8 Å²	53.8	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-37.6	178.9	-67.8	-21.8	0	0	0	111.5	Q753 V755 I760 R761	Q753-D757 PolarHBondContact NE2-OD1 3.17Å; Q753-D757 PolarHBondContact NE2-OD2 3.44Å; Q753-D757 WeakPolarHBondContact O-CB 3.36Å; Q753-D757 PolarHBondContact O-N 3.01Å; V755-D757 PolarHBondContact O-N 2.92Å; D757-I760 PolarHBondContact O-N 2.53Å; D757-R761 WeakPolarHBondContact O-CB 3.24Å; D757-R761 WeakPolarHBondContact O-CG 3.45Å; D757-R761 PolarHBondContact O-N 3.02Å
758	S	97.4	Very high	95.7	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-36.9	177	-56.2	0	0	0	0	112.2	I717 E754 V755 R756 R761 E762	I717-S758 WeakPolarHBondContact CG2-OG 3.32Å; E754-S758 WeakPolarHBondContact O-CB 3.45Å; E754-S758 PolarHBondContact O-N 3.14Å; E754-S758 PolarHBondContact O-OG 2.76Å; V755-S758 PolarHBondContact O-N 3Å; V755-S758 VanDerWaalsContact O-N 3.15Å; R756-S758 VanDerWaalsContact C-N 3.29Å; R756-S758 PolarHBondContact O-N 3.26Å; S758-R761 PolarHBondContact O-N 2.92Å; S758-R761 PolarHBondContact OG-NH2 2.94Å; S758-E762 WeakPolarHBondContact O-CB 3.4Å; S758-E762 PolarHBondContact O-N 3.43Å
759	F	97.9	Very high	95.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-37.8	172.7	-69.6	-2	0	0	0	112.3	V720 I721 L724 L732 V755 R756 K763 R770 L771 L772 L773	V720-F759 HydrophobicContact CG1-CE1 4.28Å; V720-F759 HydrophobicContact CG1-CZ 4.24Å; I721-F759 HydrophobicContact CD1-CD1 4.23Å; I721-F759 HydrophobicContact CD1-CE1 4.44Å; I721-F759 HydrophobicContact CG1-CD1 3.94Å; I721-F759 HydrophobicContact CG1-CE1 3.75Å; L724-F759 HydrophobicContact CD1-CE1 4.47Å; L724-F759 HydrophobicContact CD1-CZ 4.01Å; L732-F759 HydrophobicContact CB-CE2 4.34Å; L732-F759 HydrophobicContact CB-CZ 4.08Å; V755-F759 HydrophobicContact CG1-CD1 4.37Å; V755-F759 HydrophobicContact CG1-CD2 4.23Å; V755-F759 HydrophobicContact CG1-CE1 3.93Å; V755-F759 HydrophobicContact CG1-CE2 3.79Å; V755-F759 HydrophobicContact CG1-CZ 3.63Å; V755-F759 WeakPolarHBondContact O-CG 3.49Å; V755-F759 PolarHBondContact O-N 3.09Å; R756-F759 PolarHBondContact O-N 2.89Å; F759-K763 PolarHBondContact O-N 2.91Å; F759-K763 VanDerWaalsContact O-N 3.13Å; F759-R770 HydrophobicContact CB-CG 4.13Å; F759-L771 HydrophobicContact CB-CB 4.36Å; F759-L771 HydrophobicContact CD1-CB 4.05Å; F759-L771 HydrophobicContact CD1-CD1 3.86Å; F759-L771 HydrophobicContact CD2-CB 3.52Å; F759-L771 VanDerWaalsContact CD2-O 3.28Å; F759-L771 WeakPolarHBondContact CD2-O 3.03Å; F759-L771 HydrophobicContact CE1-CB 4.15Å; F759-L771 HydrophobicContact CE1-CD1 3.68Å; F759-L771 HydrophobicContact CE2-CB 3.63Å; F759-L771 HydrophobicContact CG-CB 3.73Å; F759-L771 HydrophobicContact CG-CD1 4.4Å; F759-L771 HydrophobicContact CZ-CB 3.95Å; F759-L771 HydrophobicContact CZ-CD1 4.06Å; F759-L772 WeakPolarHBondContact CE2-O 3.34Å; F759-L773 HydrophobicContact CD2-CB 4.29Å; F759-L773 HydrophobicContact CE2-CB 4.15Å; F759-L773 HydrophobicContact CE2-CD1 4.35Å
760	I	96.4	Very high	95.3	Very high	81 Å²	81	63.2 Å²	63.2	42%	0.415	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-44.3	174.2	-69.9	168.5	0	0	0	110.6	R756 D757 K763 R764	R756-I760 HydrophobicContact CG-CD1 4.1Å; R756-I760 WeakPolarHBondContact O-CG1 3.43Å; R756-I760 PolarHBondContact O-N 3.39Å; D757-I760 PolarHBondContact O-N 2.53Å; I760-K763 PolarHBondContact O-N 3.47Å; I760-R764 PolarHBondContact O-N 3Å
761	R	96	Very high	95.3	Very high	97 Å²	97	58.6 Å²	58.6	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-46.6	175.5	-76.8	-172.8	-67.4	-95.3	2.4	111.9	D757 S758 K763 R764 D765	D757-R761 WeakPolarHBondContact O-CB 3.24Å; D757-R761 WeakPolarHBondContact O-CG 3.45Å; D757-R761 PolarHBondContact O-N 3.02Å; S758-R761 PolarHBondContact O-N 2.92Å; S758-R761 PolarHBondContact OG-NH2 2.94Å; R761-K763 PolarHBondContact O-N 3.41Å; R761-R764 WeakPolarHBondContact O-CB 3.49Å; R761-R764 PolarHBondContact O-N 3.27Å; R761-D765 WeakPolarHBondContact O-CB 3.24Å; R761-D765 PolarHBondContact O-N 2.95Å
762	E	94.7	Very high	95.3	Very high	15 Å²	15	59.6 Å²	59.6	7%	0.07	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-41.7	-180	-172.7	-112.8	-178.5	0	0	112.1	I721 R725 S758 R764 D765 H766 K768	I721-E762 HydrophobicContact CG2-CG 3.99Å; R725-E762 IonicContact CZ-OE1 2.8Å; R725-E762 IonicContact CZ-OE2 3.24Å; R725-E762 IonicContact NE-OE1 3.81Å; R725-E762 PolarHBondContact NE-OE1 3.49Å; R725-E762 IonicContact NE-OE2 3.81Å; R725-E762 VanDerWaalsContact NH2-CD 3.32Å; R725-E762 IonicContact NH2-OE1 3.36Å; R725-E762 PolarHBondContact NH2-OE1 3.38Å; R725-E762 VanDerWaalsContact NH2-OE1 3.13Å; R725-E762 IonicContact NH2-OE2 2.78Å; R725-E762 PolarHBondContact NH2-OE2 3.49Å; S758-E762 WeakPolarHBondContact O-CB 3.4Å; S758-E762 PolarHBondContact O-N 3.43Å; E762-R764 PolarHBondContact O-N 3.04Å; E762-D765 PolarHBondContact O-N 2.03Å; E762-H766 WeakPolarHBondContact O-CB 3.34Å; E762-H766 PolarHBondContact O-N 3.32Å; E762-K768 WeakPolarHBondContact OE1-CD 3.3Å
763	K	94.1	Very high	95.3	Very high	112 Å²	112	59.5 Å²	59.5	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-57.4	-47.8	170	163.9	169.1	178.7	-174.9	0	111.9	F759 I760 R761 G767 K768 R770	F759-K763 PolarHBondContact O-N 2.91Å; F759-K763 VanDerWaalsContact O-N 3.13Å; I760-K763 PolarHBondContact O-N 3.47Å; R761-K763 PolarHBondContact O-N 3.41Å; K763-G767 VanDerWaalsContact O-CA 3.29Å; K763-G767 WeakPolarHBondContact O-CA 3.31Å; K763-G767 PolarHBondContact O-N 3.45Å; K763-K768 WeakPolarHBondContact CB-O 3.28Å; K763-K768 VanDerWaalsContact CG-O 3.29Å; K763-K768 WeakPolarHBondContact CG-O 3.25Å; K763-R770 HydrophobicContact CB-CB 4.19Å; K763-R770 HydrophobicContact CD-CB 3.76Å
764	R	93.5	Very high	95.3	Very high	171 Å²	171	55.8 Å²	55.8	65%	0.645	28%	0.277	S	S	*	.	H	α-helix	trans	-63.9	-45.7	-178.3	-177.2	-165.6	67	-166.8	-3.3	111.6	I760 R761 E762	I760-R764 PolarHBondContact O-N 3Å; R761-R764 WeakPolarHBondContact O-CB 3.49Å; R761-R764 PolarHBondContact O-N 3.27Å; E762-R764 PolarHBondContact O-N 3.04Å
765	D	93.4	Very high	95.3	Very high	95 Å²	95	54.5 Å²	54.5	51%	0.508	27%	0.272	S	S	.	.	H	α-helix	trans	-82.7	-27.2	-169.1	-62.4	-15	0	0	0	112.4	R761 E762	R761-D765 WeakPolarHBondContact O-CB 3.24Å; R761-D765 PolarHBondContact O-N 2.95Å; E762-D765 PolarHBondContact O-N 2.03Å
766	H	91.5	Very high	95.3	Very high	132 Å²	132	54.6 Å²	54.6	61%	0.611	27%	0.273	S	S	*	.	H	α-helix	trans	-118.2	-0.6	-177.1	-59.6	-70.2	0	0	0	114.8	E762 K768	E762-H766 WeakPolarHBondContact O-CB 3.34Å; E762-H766 PolarHBondContact O-N 3.32Å; H766-K768 HydrophobicContact CB-CG 4.25Å; H766-K768 PolarHBondContact O-N 3.26Å
767	G	85.8	Confident	95.4	Very high	71 Å²	71	52.9 Å²	52.9	73%	0.732	27%	0.267	S	S	*	.			trans	67.7	11.3	179.1	0	0	0	0	0	115.1	K763	K763-G767 VanDerWaalsContact O-CA 3.29Å; K763-G767 WeakPolarHBondContact O-CA 3.31Å; K763-G767 PolarHBondContact O-N 3.45Å
768	K	86	Confident	95.3	Very high	96 Å²	96	50.8 Å²	50.8	42%	0.417	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-78.9	161.1	180	-64.7	-175.4	-179.2	177.8	0	111.8	E762 K763 H766	E762-K768 WeakPolarHBondContact OE1-CD 3.3Å; K763-K768 WeakPolarHBondContact CB-O 3.28Å; K763-K768 VanDerWaalsContact CG-O 3.29Å; K763-K768 WeakPolarHBondContact CG-O 3.25Å; H766-K768 HydrophobicContact CB-CG 4.25Å; H766-K768 PolarHBondContact O-N 3.26Å
769	S	91.5	Very high	95.2	Very high	81 Å²	81	50.8 Å²	50.8	57%	0.566	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-58.8	138.5	168.1	56.1	0	0	0	0	110	R725 L771	R725-S769 PolarHBondContact NH2-O 3.31Å; S769-L771 PolarHBondContact O-N 2.59Å
770	R	96.7	Very high	95	Very high	63 Å²	63	53.1 Å²	53.1	24%	0.238	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64.8	126.1	177.9	-174	-174.8	54	71.4	-12.3	108.7	R756 F759 K763 D798	R756-R770 VanDerWaalsContact CZ-CZ 3.45Å; F759-R770 HydrophobicContact CB-CG 4.13Å; K763-R770 HydrophobicContact CB-CB 4.19Å; K763-R770 HydrophobicContact CD-CB 3.76Å; R770-D798 IonicContact CZ-OD1 3.33Å; R770-D798 IonicContact CZ-OD2 2.64Å; R770-D798 IonicContact NH1-OD1 3.35Å; R770-D798 PolarHBondContact NH1-OD1 3.12Å; R770-D798 IonicContact NH1-OD2 3.62Å; R770-D798 PolarHBondContact NH1-OD2 3.35Å; R770-D798 IonicContact NH2-OD1 2.71Å; R770-D798 PolarHBondContact NH2-OD1 2.92Å; R770-D798 IonicContact NH2-OD2 2.64Å
771	L	98.2	Very high	94.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-57.3	140.3	170.7	-69.9	168.2	0	0	0	110.6	L724 F729 D730 F759 S769	L724-L771 HydrophobicContact CB-CD1 4.45Å; L724-L771 HydrophobicContact CB-CD2 4.45Å; L724-L771 HydrophobicContact CD1-CD1 3.96Å; L724-L771 HydrophobicContact CD1-CD2 4.43Å; F729-L771 WeakPolarHBondContact O-CD2 3.29Å; D730-L771 WeakPolarHBondContact O-CA 3.37Å; F759-L771 HydrophobicContact CB-CB 4.36Å; F759-L771 HydrophobicContact CD1-CB 4.05Å; F759-L771 HydrophobicContact CD1-CD1 3.86Å; F759-L771 HydrophobicContact CD2-CB 3.52Å; F759-L771 VanDerWaalsContact CD2-O 3.28Å; F759-L771 WeakPolarHBondContact CD2-O 3.03Å; F759-L771 HydrophobicContact CE1-CB 4.15Å; F759-L771 HydrophobicContact CE1-CD1 3.68Å; F759-L771 HydrophobicContact CE2-CB 3.63Å; F759-L771 HydrophobicContact CG-CB 3.73Å; F759-L771 HydrophobicContact CG-CD1 4.4Å; F759-L771 HydrophobicContact CZ-CB 3.95Å; F759-L771 HydrophobicContact CZ-CD1 4.06Å; S769-L771 PolarHBondContact O-N 2.59Å
772	L	98.4	Very high	94.2	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.115	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	148.5	175.9	-66.5	174.1	0	0	0	111.4	Y648 K688 L690 D730 G731 L732 F759 D798	Y648-L772 HydrophobicContact CD1-CD1 4.18Å; Y648-L772 HydrophobicContact CE1-CD1 3.58Å; K688-L772 HydrophobicContact CD-CD1 3.89Å; L690-L772 HydrophobicContact CD1-CD1 4.12Å; L690-L772 HydrophobicContact CD2-CB 3.96Å; L690-L772 HydrophobicContact CG-CB 4.44Å; D730-L772 PolarHBondContact O-N 2.98Å; G731-L772 CarbonylContact C-O 3.6Å; G731-L772 WeakPolarHBondContact CA-O 3.34Å; L732-L772 PolarHBondContact N-O 2.85Å; F759-L772 WeakPolarHBondContact CE2-O 3.34Å; L772-D798 WeakPolarHBondContact CA-OD2 3.33Å; L772-D798 HydrophobicContact CD2-CB 4.31Å; L772-D798 WeakPolarHBondContact CD2-OD2 3.35Å
773	L	98.7	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.8	177.4	-176	59.6	0	0	0	110	L732 F752 V755 R756 F759 L797 D798	L732-L773 HydrophobicContact CB-CD1 4.31Å; L732-L773 HydrophobicContact CD2-CD1 4.26Å; L732-L773 WeakPolarHBondContact O-CA 3.26Å; F752-L773 HydrophobicContact CD1-CD1 4.07Å; F752-L773 HydrophobicContact CD1-CD2 3.94Å; F752-L773 HydrophobicContact CD1-CG 4.01Å; F752-L773 HydrophobicContact CE1-CD1 4.18Å; F752-L773 HydrophobicContact CE1-CG 4.41Å; V755-L773 HydrophobicContact CB-CD1 4.46Å; V755-L773 HydrophobicContact CB-CD2 4.06Å; V755-L773 HydrophobicContact CG1-CD1 3.66Å; V755-L773 HydrophobicContact CG1-CD2 3.82Å; V755-L773 HydrophobicContact CG1-CG 4.33Å; R756-L773 HydrophobicContact CB-CD2 3.96Å; F759-L773 HydrophobicContact CD2-CB 4.29Å; F759-L773 HydrophobicContact CE2-CB 4.15Å; F759-L773 HydrophobicContact CE2-CD1 4.35Å; L773-L797 HydrophobicContact CG-CD2 4.02Å; L773-D798 PolarHBondContact N-OD2 3.38Å; L773-D798 PolarHBondContact O-N 2.71Å
774	T	98.8	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	170	-179.3	62.3	0	0	0	0	110.3	L690 L732 D733 I734 F799	L690-T774 HydrophobicContact CD2-CG2 3.79Å; L690-T774 WeakPolarHBondContact CD2-OG1 3.4Å; L732-T774 PolarHBondContact O-N 3.08Å; D733-T774 WeakPolarHBondContact CA-OG1 3.37Å; D733-T774 VanDerWaalsContact CB-OG1 3.29Å; D733-T774 WeakPolarHBondContact CB-OG1 3.35Å; D733-T774 WeakPolarHBondContact OD1-CB 3.47Å; D733-T774 PolarHBondContact OD1-OG1 3.26Å; I734-T774 PolarHBondContact N-O 2.93Å; T774-F799 WeakPolarHBondContact CA-O 3.49Å; T774-F799 HydrophobicContact CG2-CD1 4.09Å; T774-F799 HydrophobicContact CG2-CD2 3.8Å; T774-F799 HydrophobicContact CG2-CE1 3.77Å; T774-F799 HydrophobicContact CG2-CE2 3.45Å; T774-F799 VanDerWaalsContact CG2-CE2 3.45Å; T774-F799 HydrophobicContact CG2-CG 4.12Å; T774-F799 HydrophobicContact CG2-CZ 3.45Å; T774-F799 VanDerWaalsContact CG2-CZ 3.45Å
775	A	98.8	Very high	93.9	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.7	172.9	0	0	0	0	0	110.5	D733 I734 F752 V777 L797 I800 N801	D733-A775 WeakPolarHBondContact OD1-CA 3.47Å; D733-A775 PolarHBondContact OD1-N 2.71Å; I734-A775 WeakPolarHBondContact O-CA 3.22Å; I734-A775 WeakPolarHBondContact O-CB 3.43Å; F752-A775 HydrophobicContact CE1-CB 4.15Å; F752-A775 HydrophobicContact CZ-CB 3.71Å; A775-V777 HydrophobicContact CB-CG1 4.08Å; A775-L797 HydrophobicContact CB-CD1 3.97Å; A775-L797 HydrophobicContact CB-CD2 4.29Å; A775-I800 CarbonylContact O-C 3.57Å; A775-I800 WeakPolarHBondContact O-CA 3.34Å; A775-N801 PolarHBondContact O-N 3.31Å
776	A	98.8	Very high	93.8	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.3	161.9	0	0	0	0	0	109.7	I734 D735 N801 M803	I734-A776 PolarHBondContact O-N 2.89Å; D735-A776 HydrophobicContact CB-CB 4.07Å; D735-A776 VanDerWaalsContact OD1-CB 3.25Å; D735-A776 WeakPolarHBondContact OD1-CB 3.29Å; A776-N801 WeakPolarHBondContact CA-O 3.48Å; A776-N801 HydrophobicContact CB-CB 4.39Å; A776-M803 HydrophobicContact CB-CE 4.23Å; A776-M803 HydrophobicContact CB-CG 4.44Å; A776-M803 HydrophobicContact CB-SD 4.25Å
777	V	98.5	Very high	93.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.5	-170.3	-58.3	0	0	0	0	112.6	A775 Y788 I800 N801 L802 M803 W843	A775-V777 HydrophobicContact CB-CG1 4.08Å; V777-Y788 HydrophobicContact CB-CE1 4.25Å; V777-Y788 HydrophobicContact CG1-CE1 4.05Å; V777-I800 HydrophobicContact CG1-CB 4.38Å; V777-I800 HydrophobicContact CG1-CG2 4.13Å; V777-I800 HydrophobicContact CG2-CB 3.9Å; V777-I800 HydrophobicContact CG2-CD1 3.67Å; V777-I800 HydrophobicContact CG2-CG1 4.31Å; V777-I800 HydrophobicContact CG2-CG2 4.4Å; V777-N801 PolarHBondContact N-O 3.14Å; V777-L802 HydrophobicContact CG2-CD1 4.34Å; V777-M803 PolarHBondContact O-N 2.88Å; V777-W843 HydrophobicContact CB-CH2 3.93Å; V777-W843 HydrophobicContact CB-CZ2 3.56Å; V777-W843 HydrophobicContact CG1-CH2 4.1Å; V777-W843 HydrophobicContact CG1-CZ2 4.24Å; V777-W843 HydrophobicContact CG2-CH2 3.91Å; V777-W843 HydrophobicContact CG2-CZ2 3.4Å; V777-W843 VanDerWaalsContact CG2-CZ2 3.4Å
778	S	97	Very high	94.5	Very high	11 Å²	11	31.3 Å²	31.3	8%	0.077	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145.4	-175.3	-167.6	0	0	0	0	113.6	S780 Y788 W843	S778-S780 WeakPolarHBondContact OG-CB 3.35Å; S778-S780 PolarHBondContact OG-N 3.01Å; S778-S780 VanDerWaalsContact OG-N 3.14Å; S778-Y788 PolarHBondContact N-OH 3.05Å; S778-Y788 VanDerWaalsContact N-OH 3.14Å; S778-W843 PolarHBondContact O-NE1 2.86Å
779	A	95.7	Very high	95	Very high	8 Å²	8	28.9 Å²	28.9	7%	0.066	17%	0.167	C	C	.	.			trans	-84.5	-6.3	166.8	0	0	0	0	0	114.4	Q781 L802 M803 F807 A839	A779-Q781 PolarHBondContact O-N 3Å; A779-L802 HydrophobicContact CB-CD1 4.09Å; A779-M803 VanDerWaalsContact CB-O 3.23Å; A779-M803 WeakPolarHBondContact CB-O 3.39Å; A779-F807 HydrophobicContact CB-CE1 3.73Å; A779-F807 HydrophobicContact CB-CZ 3.75Å; A779-A839 HydrophobicContact CB-CB 3.65Å; A779-A839 WeakPolarHBondContact O-CB 3.37Å
780	S	91.9	Very high	95.3	Very high	50 Å²	50	25.2 Å²	25.2	35%	0.35	14%	0.141	S	C	.	.			trans	-70.5	115.9	179.2	176.5	0	0	0	0	111.3	S778 S782 K783 I784	S778-S780 WeakPolarHBondContact OG-CB 3.35Å; S778-S780 PolarHBondContact OG-N 3.01Å; S778-S780 VanDerWaalsContact OG-N 3.14Å; S780-S782 PolarHBondContact O-N 2.63Å; S780-K783 PolarHBondContact O-N 3.47Å; S780-I784 VanDerWaalsContact O-CG1 3.31Å; S780-I784 WeakPolarHBondContact O-CG1 3.29Å; S780-I784 PolarHBondContact O-N 3.29Å
781	Q	87.7	Confident	95.3	Very high	37 Å²	37	25.3 Å²	25.3	17%	0.173	15%	0.15	C	C	.	.	H	α-helix	trans	-54.4	-38.9	178.5	-67.8	-165.8	5	0	0	113.2	A779 K783 I784 D785 S832 H842	A779-Q781 PolarHBondContact O-N 3Å; Q781-K783 PolarHBondContact O-N 2.9Å; Q781-I784 PolarHBondContact O-N 3.32Å; Q781-D785 VanDerWaalsContact O-CG 3.31Å; Q781-D785 PolarHBondContact O-N 2.87Å; Q781-S832 VanDerWaalsContact CD-CB 3.49Å; Q781-S832 PolarHBondContact OE1-OG 3.05Å; Q781-H842 HydrophobicContact CG-CB 4.19Å
782	S	89.3	Confident	95.2	Very high	78 Å²	78	28 Å²	28	55%	0.545	16%	0.164	S	C	.	.	H	α-helix	trans	-60.6	-44.8	175.9	178.7	0	0	0	0	111.6	S780 D785 T786	S780-S782 PolarHBondContact O-N 2.63Å; S782-D785 PolarHBondContact O-N 3.39Å; S782-T786 WeakPolarHBondContact O-CB 3.05Å; S782-T786 VanDerWaalsContact O-CG2 3.3Å; S782-T786 WeakPolarHBondContact O-CG2 3.34Å; S782-T786 PolarHBondContact O-N 2.98Å; S782-T786 PolarHBondContact O-OG1 3.01Å
783	K	92	Very high	95.2	Very high	67 Å²	67	27 Å²	27	29%	0.291	16%	0.159	S	C	.	.	H	α-helix	trans	-65.6	-44.2	175.9	-64.8	-165.4	-176.7	-167.2	0	111.6	Y738 S780 Q781 D785 T786 V787 Y788	Y738-K783 HydrophobicContact CD1-CD 4.37Å; Y738-K783 HydrophobicContact CD2-CD 4.28Å; Y738-K783 HydrophobicContact CG-CD 3.98Å; Y738-K783 VanDerWaalsContact CG-NZ 3.33Å; S780-K783 PolarHBondContact O-N 3.47Å; Q781-K783 PolarHBondContact O-N 2.9Å; K783-D785 PolarHBondContact O-N 3.15Å; K783-T786 PolarHBondContact O-N 3.4Å; K783-V787 HydrophobicContact CB-CG2 3.99Å; K783-V787 VanDerWaalsContact O-CG2 3.23Å; K783-V787 WeakPolarHBondContact O-CG2 3.37Å; K783-V787 PolarHBondContact O-N 3.47Å; K783-Y788 HydrophobicContact CB-CE2 4.15Å; K783-Y788 VanDerWaalsContact O-CD2 3.31Å; K783-Y788 WeakPolarHBondContact O-CD2 3.29Å
784	I	93.3	Very high	95.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-50.3	-44.3	176.2	-62.2	168.4	0	0	0	110.7	S780 Q781 V790 H842 W843 R846	S780-I784 VanDerWaalsContact O-CG1 3.31Å; S780-I784 WeakPolarHBondContact O-CG1 3.29Å; S780-I784 PolarHBondContact O-N 3.29Å; Q781-I784 PolarHBondContact O-N 3.32Å; I784-V790 HydrophobicContact CG2-CG2 4.09Å; I784-H842 HydrophobicContact CD1-CB 4.42Å; I784-W843 HydrophobicContact CD1-CG 4.11Å; I784-W843 HydrophobicContact CG1-CD2 4.42Å; I784-W843 HydrophobicContact CG1-CZ2 4.02Å; I784-W843 HydrophobicContact CG2-CD2 4.31Å; I784-R846 HydrophobicContact CG2-CG 4.13Å
785	D	91	Very high	95.1	Very high	53 Å²	53	34.7 Å²	34.7	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-79.8	-35.3	-175.8	-67.9	-12.7	0	0	0	113.9	Q781 S782 K783 H842 R846	Q781-D785 VanDerWaalsContact O-CG 3.31Å; Q781-D785 PolarHBondContact O-N 2.87Å; S782-D785 PolarHBondContact O-N 3.39Å; K783-D785 PolarHBondContact O-N 3.15Å; D785-H842 VanDerWaalsContact CG-NE2 3.3Å; D785-H842 IonicContact OD1-CD2 2.7Å; D785-H842 IonicContact OD1-CE1 3.51Å; D785-H842 IonicContact OD1-NE2 3.72Å; D785-H842 PolarHBondContact OD1-NE2 2.93Å; D785-H842 IonicContact OD2-CE1 2.8Å; D785-H842 IonicContact OD2-NE2 3.6Å; D785-H842 PolarHBondContact OD2-NE2 3.32Å; D785-R846 IonicContact OD1-CZ 2.59Å; D785-R846 IonicContact OD1-NE 2.93Å; D785-R846 PolarHBondContact OD1-NE 2.79Å; D785-R846 IonicContact OD1-NH1 2.62Å; D785-R846 PolarHBondContact OD1-NH1 2.7Å; D785-R846 IonicContact OD1-NH2 3.48Å; D785-R846 PolarHBondContact OD1-NH2 3.06Å; D785-R846 IonicContact OD2-CZ 2.66Å; D785-R846 IonicContact OD2-NH2 3.63Å; D785-R846 PolarHBondContact OD2-NH2 2.99Å
786	T	90.9	Very high	95.1	Very high	67 Å²	67	35 Å²	35	41%	0.411	20%	0.195	S	C	.	.	H	α-helix	trans	-95.2	-36.2	-169	54.4	0	0	0	0	113.4	K745 S782 K783	K745-T786 WeakPolarHBondContact CD-O 3.08Å; S782-T786 WeakPolarHBondContact O-CB 3.05Å; S782-T786 VanDerWaalsContact O-CG2 3.3Å; S782-T786 WeakPolarHBondContact O-CG2 3.34Å; S782-T786 PolarHBondContact O-N 2.98Å; S782-T786 PolarHBondContact O-OG1 3.01Å; K783-T786 PolarHBondContact O-N 3.4Å
787	V	93.7	Very high	95.1	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-118.3	-7.3	-167.7	-52.8	0	0	0	0	114.8	P739 K745 K783	P739-V787 HydrophobicContact CB-CB 4.11Å; P739-V787 HydrophobicContact CB-CG2 4.41Å; P739-V787 WeakPolarHBondContact O-CB 3.42Å; P739-V787 VanDerWaalsContact O-CG1 3.31Å; P739-V787 WeakPolarHBondContact O-CG1 3.44Å; P739-V787 WeakPolarHBondContact O-CG2 3.24Å; K745-V787 WeakPolarHBondContact CB-O 3.32Å; K745-V787 WeakPolarHBondContact CG-O 3.41Å; K783-V787 HydrophobicContact CB-CG2 3.99Å; K783-V787 VanDerWaalsContact O-CG2 3.23Å; K783-V787 WeakPolarHBondContact O-CG2 3.37Å; K783-V787 PolarHBondContact O-N 3.47Å
788	Y	97	Very high	95.1	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.027	20%	0.201	C	C	.	.			trans	-113.5	132.2	175.7	-58.9	-79.9	0	0	0	112	Y738 K745 M748 V777 S778 K783 V790 L793 W843	Y738-Y788 VanDerWaalsContact CD1-OH 3.32Å; Y738-Y788 WeakPolarHBondContact CD1-OH 3.4Å; K745-Y788 WeakPolarHBondContact CE-O 3.48Å; M748-Y788 HydrophobicContact CE-CE1 4.44Å; M748-Y788 HydrophobicContact SD-CD1 4.05Å; M748-Y788 HydrophobicContact SD-CE1 4.25Å; V777-Y788 HydrophobicContact CB-CE1 4.25Å; V777-Y788 HydrophobicContact CG1-CE1 4.05Å; S778-Y788 PolarHBondContact N-OH 3.05Å; S778-Y788 VanDerWaalsContact N-OH 3.14Å; K783-Y788 HydrophobicContact CB-CE2 4.15Å; K783-Y788 VanDerWaalsContact O-CD2 3.31Å; K783-Y788 WeakPolarHBondContact O-CD2 3.29Å; Y788-V790 PolarHBondContact O-N 3.18Å; Y788-L793 HydrophobicContact CD1-CD1 3.91Å; Y788-L793 HydrophobicContact CG-CD1 4.47Å; Y788-W843 AromaticContact CD1-CH2 3.95Å; Y788-W843 HydrophobicContact CD1-CH2 3.95Å; Y788-W843 HydrophobicContact CD2-CH2 4.04Å; Y788-W843 HydrophobicContact CD2-CZ2 4.01Å; Y788-W843 HydrophobicContact CE1-CH2 4.42Å; Y788-W843 HydrophobicContact CE2-CH2 4.48Å; Y788-W843 HydrophobicContact CE2-CZ2 4.14Å; Y788-W843 AromaticContact CG-CH2 3.72Å; Y788-W843 HydrophobicContact CG-CH2 3.72Å; Y788-W843 HydrophobicContact CG-CZ2 4.17Å
789	D	96.8	Very high	95.1	Very high	46 Å²	46	35.9 Å²	35.9	25%	0.246	20%	0.199	C	C	.	.			trans	-90.8	78.9	165.8	-174.2	-20	0	0	0	108.9	K745 V749 N792 L793	K745-D789 HydrophobicContact CG-CB 4.22Å; V749-D789 HydrophobicContact CG2-CB 3.62Å; D789-N792 HydrophobicContact CB-CB 4.46Å; D789-N792 VanDerWaalsContact CG-ND2 3.3Å; D789-N792 PolarHBondContact O-N 2.65Å; D789-N792 PolarHBondContact OD1-N 3.29Å; D789-N792 PolarHBondContact OD1-ND2 2.76Å; D789-N792 PolarHBondContact OD2-ND2 3.43Å; D789-L793 WeakPolarHBondContact O-CG 3.23Å; D789-L793 PolarHBondContact O-N 2.87Å
790	V	97.4	Very high	95.3	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-54.2	-46.4	-170.4	-178.6	0	0	0	0	113.2	I784 Y788 N792 L793 A794 W843 R846 M848	I784-V790 HydrophobicContact CG2-CG2 4.09Å; Y788-V790 PolarHBondContact O-N 3.18Å; V790-N792 PolarHBondContact O-N 3.01Å; V790-L793 PolarHBondContact O-N 3.42Å; V790-A794 WeakPolarHBondContact O-CB 3.45Å; V790-A794 PolarHBondContact O-N 3.02Å; V790-W843 HydrophobicContact CB-CE3 4.39Å; V790-W843 HydrophobicContact CB-CZ3 4.23Å; V790-W843 HydrophobicContact CG1-CE3 3.7Å; V790-W843 HydrophobicContact CG1-CZ3 3.91Å; V790-W843 HydrophobicContact CG2-CE3 3.84Å; V790-W843 HydrophobicContact CG2-CH2 4.27Å; V790-W843 HydrophobicContact CG2-CZ3 3.6Å; V790-R846 HydrophobicContact CB-CB 3.86Å; V790-R846 WeakPolarHBondContact CB-O 3.34Å; V790-R846 HydrophobicContact CG1-CB 3.97Å; V790-R846 WeakPolarHBondContact CG1-O 3.38Å; V790-R846 HydrophobicContact CG2-CB 3.84Å; V790-M848 HydrophobicContact CG1-CB 3.73Å
791	P	97.1	Very high	95.6	Very high	65 Å²	65	33.1 Å²	33.1	42%	0.422	18%	0.179	S	C	.	.	H	α-helix	trans	-63.4	-35.7	179.1	-24.3	35.4	0	0	0	114.2	R846	P791-R846 WeakPolarHBondContact CD-O 3.49Å; P791-R846 WeakPolarHBondContact CG-O 3.32Å
792	N	97.2	Very high	96.1	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	17%	0.171	S	C	.	.	H	α-helix	trans	-76.4	-41	177	-76.9	-44.3	0	0	0	111.5	V749 D789 V790 A794 K795 L796	V749-N792 HydrophobicContact CG1-CB 4.01Å; V749-N792 HydrophobicContact CG2-CB 4.33Å; D789-N792 HydrophobicContact CB-CB 4.46Å; D789-N792 VanDerWaalsContact CG-ND2 3.3Å; D789-N792 PolarHBondContact O-N 2.65Å; D789-N792 PolarHBondContact OD1-N 3.29Å; D789-N792 PolarHBondContact OD1-ND2 2.76Å; D789-N792 PolarHBondContact OD2-ND2 3.43Å; V790-N792 PolarHBondContact O-N 3.01Å; N792-A794 VanDerWaalsContact C-N 3.27Å; N792-A794 PolarHBondContact O-N 2.94Å; N792-K795 PolarHBondContact O-N 3.1Å; N792-K795 VanDerWaalsContact O-N 3.13Å; N792-L796 WeakPolarHBondContact O-CG 3.35Å; N792-L796 PolarHBondContact O-N 2.81Å
793	L	98.2	Very high	96.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-39.8	173.2	-67.8	176.8	0	0	0	111.9	M748 F752 Y788 D789 V790 K795 L796 L797 M848	M748-L793 HydrophobicContact CG-CD2 4.46Å; M748-L793 HydrophobicContact SD-CD1 4.49Å; F752-L793 HydrophobicContact CD2-CD2 3.56Å; F752-L793 HydrophobicContact CE2-CD2 4.04Å; F752-L793 HydrophobicContact CG-CD2 4.25Å; Y788-L793 HydrophobicContact CD1-CD1 3.91Å; Y788-L793 HydrophobicContact CG-CD1 4.47Å; D789-L793 WeakPolarHBondContact O-CG 3.23Å; D789-L793 PolarHBondContact O-N 2.87Å; V790-L793 PolarHBondContact O-N 3.42Å; L793-K795 PolarHBondContact O-N 2.72Å; L793-L796 PolarHBondContact O-N 3.27Å; L793-L797 HydrophobicContact CB-CD1 4.12Å; L793-L797 HydrophobicContact CD2-CD1 4.41Å; L793-L797 WeakPolarHBondContact O-CB 3.37Å; L793-L797 PolarHBondContact O-N 3.5Å; L793-M848 HydrophobicContact CB-CE 4.34Å
794	A	97.9	Very high	96.8	Very high	11 Å²	11	25.3 Å²	25.3	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-28.1	177.6	0	0	0	0	0	114.1	V790 N792 M848 K852	V790-A794 WeakPolarHBondContact O-CB 3.45Å; V790-A794 PolarHBondContact O-N 3.02Å; N792-A794 VanDerWaalsContact C-N 3.27Å; N792-A794 PolarHBondContact O-N 2.94Å; A794-M848 HydrophobicContact CB-CE 3.83Å; A794-M848 HydrophobicContact CB-SD 3.7Å; A794-K852 PolarHBondContact O-NZ 3.25Å
795	K	97.5	Very high	97	Very high	150 Å²	150	26 Å²	26	65%	0.652	14%	0.138	S	C	*	.	H	α-helix	trans	-80.6	-30.8	176.1	-63.3	169.6	-170.6	167.4	0	112.5	N792 L793	N792-K795 PolarHBondContact O-N 3.1Å; N792-K795 VanDerWaalsContact O-N 3.13Å; L793-K795 PolarHBondContact O-N 2.72Å
796	L	98.2	Very high	97.2	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-91.1	-43.2	-170	-64.4	174.9	0	0	0	113.2	V749 F752 Q753 R756 N792 L793	V749-L796 HydrophobicContact CG1-CD1 4.22Å; F752-L796 HydrophobicContact CB-CB 4.27Å; F752-L796 HydrophobicContact CB-CD1 3.89Å; Q753-L796 HydrophobicContact CB-CD1 4.11Å; Q753-L796 HydrophobicContact CB-CD2 4.11Å; Q753-L796 HydrophobicContact CG-CD2 4.47Å; R756-L796 HydrophobicContact CB-CD2 4.49Å; R756-L796 WeakPolarHBondContact CD-O 3.46Å; N792-L796 WeakPolarHBondContact O-CG 3.35Å; N792-L796 PolarHBondContact O-N 2.81Å; L793-L796 PolarHBondContact O-N 3.27Å
797	L	98.6	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.			trans	-81.3	146.2	-175.4	-63.7	175.7	0	0	0	111.4	F752 L773 A775 L793 I800 K852	F752-L797 HydrophobicContact CD1-CD2 3.41Å; F752-L797 VanDerWaalsContact CD1-CD2 3.41Å; F752-L797 HydrophobicContact CD1-CG 4.46Å; F752-L797 HydrophobicContact CE1-CD2 3.43Å; F752-L797 VanDerWaalsContact CE1-CD2 3.43Å; F752-L797 HydrophobicContact CG-CD2 4.15Å; F752-L797 HydrophobicContact CZ-CD2 4.17Å; L773-L797 HydrophobicContact CG-CD2 4.02Å; A775-L797 HydrophobicContact CB-CD1 3.97Å; A775-L797 HydrophobicContact CB-CD2 4.29Å; L793-L797 HydrophobicContact CB-CD1 4.12Å; L793-L797 HydrophobicContact CD2-CD1 4.41Å; L793-L797 WeakPolarHBondContact O-CB 3.37Å; L793-L797 PolarHBondContact O-N 3.5Å; L797-I800 HydrophobicContact CD1-CG2 3.5Å; L797-I800 VanDerWaalsContact CD1-CG2 3.5Å; L797-K852 PolarHBondContact O-NZ 2.97Å
798	D	98.3	Very high	97.3	Very high	31 Å²	31	26 Å²	26	17%	0.166	13%	0.131	C	C	.	.	S	Bend	trans	-68.9	-45.4	169.6	-69.1	-52.6	0	0	0	109.8	R756 R770 L772 L773 K852	R756-D798 IonicContact CZ-OD1 3.65Å; R756-D798 VanDerWaalsContact NH1-CG 3.32Å; R756-D798 IonicContact NH1-OD1 3.59Å; R756-D798 PolarHBondContact NH1-OD1 2.66Å; R756-D798 IonicContact NH1-OD2 2.71Å; R756-D798 PolarHBondContact NH1-OD2 3.19Å; R756-D798 VanDerWaalsContact NH1-OD2 3.09Å; R756-D798 IonicContact NH2-OD1 2.92Å; R756-D798 PolarHBondContact NH2-OD1 3.17Å; R770-D798 IonicContact CZ-OD1 3.33Å; R770-D798 IonicContact CZ-OD2 2.64Å; R770-D798 IonicContact NH1-OD1 3.35Å; R770-D798 PolarHBondContact NH1-OD1 3.12Å; R770-D798 IonicContact NH1-OD2 3.62Å; R770-D798 PolarHBondContact NH1-OD2 3.35Å; R770-D798 IonicContact NH2-OD1 2.71Å; R770-D798 PolarHBondContact NH2-OD1 2.92Å; R770-D798 IonicContact NH2-OD2 2.64Å; L772-D798 WeakPolarHBondContact CA-OD2 3.33Å; L772-D798 HydrophobicContact CD2-CB 4.31Å; L772-D798 WeakPolarHBondContact CD2-OD2 3.35Å; L773-D798 PolarHBondContact N-OD2 3.38Å; L773-D798 PolarHBondContact O-N 2.71Å; D798-K852 WeakPolarHBondContact O-CD 3.29Å; D798-K852 WeakPolarHBondContact O-CE 3.42Å
799	F	98.5	Very high	97	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	170.2	167.4	55.5	-98.8	0	0	0	110.7	I618 Y648 F650 T774 N801 K852 I854	I618-F799 HydrophobicContact CD1-CB 4.48Å; I618-F799 HydrophobicContact CD1-CD1 3.47Å; I618-F799 VanDerWaalsContact CD1-CD1 3.47Å; I618-F799 HydrophobicContact CD1-CE1 3.73Å; I618-F799 HydrophobicContact CD1-CG 3.99Å; I618-F799 HydrophobicContact CD1-CZ 4.45Å; I618-F799 HydrophobicContact CG2-CZ 4.29Å; Y648-F799 HydrophobicContact CD1-CE1 4.49Å; Y648-F799 HydrophobicContact CD1-CZ 4.27Å; Y648-F799 HydrophobicContact CE1-CE1 4.17Å; Y648-F799 HydrophobicContact CE1-CZ 4.41Å; Y648-F799 HydrophobicContact CG-CZ 4.48Å; F650-F799 HydrophobicContact CE1-CE2 4.25Å; F650-F799 HydrophobicContact CE1-CZ 4.37Å; F650-F799 AromaticContact CZ-CE2 3.75Å; F650-F799 HydrophobicContact CZ-CE2 3.75Å; F650-F799 AromaticContact CZ-CZ 3.87Å; F650-F799 HydrophobicContact CZ-CZ 3.87Å; T774-F799 WeakPolarHBondContact CA-O 3.49Å; T774-F799 HydrophobicContact CG2-CD1 4.09Å; T774-F799 HydrophobicContact CG2-CD2 3.8Å; T774-F799 HydrophobicContact CG2-CE1 3.77Å; T774-F799 HydrophobicContact CG2-CE2 3.45Å; T774-F799 VanDerWaalsContact CG2-CE2 3.45Å; T774-F799 HydrophobicContact CG2-CG 4.12Å; T774-F799 HydrophobicContact CG2-CZ 3.45Å; T774-F799 VanDerWaalsContact CG2-CZ 3.45Å; F799-N801 WeakPolarHBondContact CE2-OD1 3.33Å; F799-K852 WeakPolarHBondContact CA-O 3.23Å; F799-K852 HydrophobicContact CB-CB 4.36Å; F799-K852 WeakPolarHBondContact CB-O 3.47Å; F799-I854 HydrophobicContact CB-CD1 4.23Å; F799-I854 HydrophobicContact CB-CG1 3.95Å; F799-I854 HydrophobicContact CD2-CB 4.44Å; F799-I854 HydrophobicContact CD2-CD1 4.39Å; F799-I854 HydrophobicContact CD2-CG1 3.4Å; F799-I854 VanDerWaalsContact CD2-CG1 3.4Å; F799-I854 HydrophobicContact CE2-CG1 4.03Å; F799-I854 HydrophobicContact CG-CD1 4.33Å; F799-I854 HydrophobicContact CG-CG1 3.8Å
800	I	98.8	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.8	171.3	56.4	161.9	0	0	0	111	A775 V777 L797 W843 M848 K852 I853 I854	A775-I800 CarbonylContact O-C 3.57Å; A775-I800 WeakPolarHBondContact O-CA 3.34Å; V777-I800 HydrophobicContact CG1-CB 4.38Å; V777-I800 HydrophobicContact CG1-CG2 4.13Å; V777-I800 HydrophobicContact CG2-CB 3.9Å; V777-I800 HydrophobicContact CG2-CD1 3.67Å; V777-I800 HydrophobicContact CG2-CG1 4.31Å; V777-I800 HydrophobicContact CG2-CG2 4.4Å; L797-I800 HydrophobicContact CD1-CG2 3.5Å; L797-I800 VanDerWaalsContact CD1-CG2 3.5Å; I800-W843 HydrophobicContact CD1-CD2 3.63Å; I800-W843 HydrophobicContact CD1-CE3 3.55Å; I800-W843 HydrophobicContact CD1-CG 4.11Å; I800-W843 HydrophobicContact CD1-CH2 4.43Å; I800-W843 HydrophobicContact CD1-CZ3 3.95Å; I800-M848 HydrophobicContact CD1-CE 4.35Å; I800-M848 HydrophobicContact CD1-CG 3.97Å; I800-M848 HydrophobicContact CG1-CE 4.41Å; I800-M848 HydrophobicContact CG1-CG 4.17Å; I800-M848 HydrophobicContact CG1-SD 4.48Å; I800-M848 HydrophobicContact CG2-CE 3.86Å; I800-K852 VanDerWaalsContact CG1-O 3.3Å; I800-K852 WeakPolarHBondContact CG1-O 3.49Å; I800-K852 PolarHBondContact N-O 3.07Å; I800-I853 HydrophobicContact CD1-CG1 4.23Å; I800-I853 HydrophobicContact CD1-CG2 4.48Å; I800-I853 HydrophobicContact CG1-CG1 4.4Å; I800-I854 WeakPolarHBondContact O-CB 3.49Å; I800-I854 WeakPolarHBondContact O-CG1 3.32Å; I800-I854 PolarHBondContact O-N 3.11Å
801	N	98.8	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	98.3	167.4	-73.6	-20	0	0	0	108	Y622 F650 A775 A776 V777 F799 M803 F951	Y622-N801 PolarHBondContact OH-ND2 3.42Å; F650-N801 VanDerWaalsContact CE1-ND2 3.3Å; F650-N801 WeakPolarHBondContact CE1-ND2 3.49Å; F650-N801 WeakPolarHBondContact CZ-ND2 3.17Å; A775-N801 PolarHBondContact O-N 3.31Å; A776-N801 WeakPolarHBondContact CA-O 3.48Å; A776-N801 HydrophobicContact CB-CB 4.39Å; V777-N801 PolarHBondContact N-O 3.14Å; F799-N801 WeakPolarHBondContact CE2-OD1 3.33Å; N801-M803 PolarHBondContact O-N 2.93Å; N801-F951 VanDerWaalsContact C-CE1 3.49Å; N801-F951 HydrophobicContact CB-CD1 3.79Å; N801-F951 HydrophobicContact CB-CE1 3.53Å; N801-F951 HydrophobicContact CB-CE2 4.36Å; N801-F951 HydrophobicContact CB-CG 4.33Å; N801-F951 HydrophobicContact CB-CZ 3.83Å
802	L	98.6	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	110.4	179.1	176	58.4	0	0	0	110.4	V777 A779 S804 A839 A840 W843 I853 I854 I855 G856 F951	V777-L802 HydrophobicContact CG2-CD1 4.34Å; A779-L802 HydrophobicContact CB-CD1 4.09Å; L802-S804 PolarHBondContact O-N 2.89Å; L802-S804 PolarHBondContact O-OG 3.34Å; L802-A839 HydrophobicContact CD2-CB 4.28Å; L802-A840 HydrophobicContact CD2-CB 3.81Å; L802-W843 VanDerWaalsContact CD1-CD1 3.46Å; L802-W843 VanDerWaalsContact CD1-NE1 3.32Å; L802-I853 HydrophobicContact CB-CG2 4.16Å; L802-I853 HydrophobicContact CD2-CG2 3.95Å; L802-I854 PolarHBondContact N-O 3.37Å; L802-I855 HydrophobicContact CD2-CD1 4.12Å; L802-G856 WeakPolarHBondContact O-CA 3.29Å; L802-G856 PolarHBondContact O-N 2.84Å; L802-F951 VanDerWaalsContact O-CE1 3.31Å; L802-F951 WeakPolarHBondContact O-CE1 3.26Å
803	M	98.3	Very high	95.6	Very high	18 Å²	18	34.5 Å²	34.5	9%	0.089	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	71.8	177.7	-63.4	-172.8	-79.4	0	0	111.2	E737 Y738 A776 V777 A779 N801 Y805 F951	E737-M803 HydrophobicContact CG-CE 4.19Å; Y738-M803 HydrophobicContact CE1-CE 3.65Å; Y738-M803 WeakPolarHBondContact OH-CE 3.45Å; A776-M803 HydrophobicContact CB-CE 4.23Å; A776-M803 HydrophobicContact CB-CG 4.44Å; A776-M803 HydrophobicContact CB-SD 4.25Å; V777-M803 PolarHBondContact O-N 2.88Å; A779-M803 VanDerWaalsContact CB-O 3.23Å; A779-M803 WeakPolarHBondContact CB-O 3.39Å; N801-M803 PolarHBondContact O-N 2.93Å; M803-Y805 HydrophobicContact CB-CD2 4.47Å; M803-Y805 HydrophobicContact CB-CE2 3.85Å; M803-Y805 HydrophobicContact CG-CE2 4.18Å; M803-Y805 PolarHBondContact O-N 2.97Å; M803-F951 HydrophobicContact CG-CZ 4.28Å
804	S	97	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.			trans	-82.3	50.2	-178.5	46.8	0	0	0	0	113.2	L802 F807 S819 G856	L802-S804 PolarHBondContact O-N 2.89Å; L802-S804 PolarHBondContact O-OG 3.34Å; S804-F807 VanDerWaalsContact C-CE2 3.45Å; S804-F807 WeakPolarHBondContact O-CE2 3.47Å; S804-S819 PolarHBondContact O-OG 2.94Å; S804-G856 PolarHBondContact OG-N 3.1Å; S804-G856 VanDerWaalsContact OG-N 3.15Å; S804-G856 PolarHBondContact OG-O 2.76Å
805	Y	97.4	Very high	95.1	Very high	15 Å²	15	38.7 Å²	38.7	6%	0.059	18%	0.182	C	C	.	.			trans	-148.4	-178.9	176.2	39.6	-104.2	0	0	0	108	M803 F807 N818 P858 Y860 F951 W953	M803-Y805 HydrophobicContact CB-CD2 4.47Å; M803-Y805 HydrophobicContact CB-CE2 3.85Å; M803-Y805 HydrophobicContact CG-CE2 4.18Å; M803-Y805 PolarHBondContact O-N 2.97Å; Y805-F807 VanDerWaalsContact C-N 3.26Å; Y805-F807 PolarHBondContact O-N 3.04Å; Y805-N818 CarbonylContact C-O 3.49Å; Y805-N818 WeakPolarHBondContact CA-O 3.35Å; Y805-P858 HydrophobicContact CD1-CB 4.12Å; Y805-P858 HydrophobicContact CD1-CG 4.31Å; Y805-P858 HydrophobicContact CG-CB 4.09Å; Y805-P858 HydrophobicContact CG-CG 4.32Å; Y805-Y860 WeakPolarHBondContact CD2-OH 3.19Å; Y805-F951 HydrophobicContact CE1-CE2 4.18Å; Y805-F951 HydrophobicContact CE1-CZ 4.07Å; Y805-F951 VanDerWaalsContact OH-CE2 3.24Å; Y805-F951 WeakPolarHBondContact OH-CE2 3.43Å; Y805-F951 WeakPolarHBondContact OH-CZ 3.45Å; Y805-W953 HydrophobicContact CE1-CB 4.32Å
806	D	95.8	Very high	94.8	Very high	56 Å²	56	31.7 Å²	31.7	30%	0.299	15%	0.153	S	C	.	.			trans	61.5	31.5	-174.7	-59.8	-16.6	0	0	0	114	Y808 W811 N818 Y860 R862	D806-Y808 VanDerWaalsContact C-N 3.34Å; D806-W811 HydrophobicContact CB-CH2 4.23Å; D806-N818 WeakPolarHBondContact CA-OD1 3.42Å; D806-N818 PolarHBondContact N-O 3.47Å; D806-N818 PolarHBondContact N-OD1 3.07Å; D806-N818 PolarHBondContact OD1-OD1 3.14Å; D806-Y860 PolarHBondContact OD1-OH 2.74Å; D806-Y860 PolarHBondContact OD2-OH 3.28Å; D806-R862 VanDerWaalsContact CG-NE 3.3Å; D806-R862 IonicContact OD1-CZ 2.92Å; D806-R862 IonicContact OD1-NE 3.3Å; D806-R862 PolarHBondContact OD1-NE 2.91Å; D806-R862 IonicContact OD1-NH2 2.9Å; D806-R862 PolarHBondContact OD1-NH2 2.82Å; D806-R862 IonicContact OD2-CZ 2.85Å; D806-R862 IonicContact OD2-NE 3.39Å; D806-R862 IonicContact OD2-NH2 3.09Å; D806-R862 PolarHBondContact OD2-NH2 2.88Å
807	F	93.5	Very high	94.6	Very high	28 Å²	28	31.4 Å²	31.4	12%	0.123	15%	0.152	C	C	.	.	S	Bend	trans	-70.5	-33	175.9	-68.1	-73.3	0	0	0	112.5	A779 S804 Y805 N818 P820 S834 T835 A839	A779-F807 HydrophobicContact CB-CE1 3.73Å; A779-F807 HydrophobicContact CB-CZ 3.75Å; S804-F807 VanDerWaalsContact C-CE2 3.45Å; S804-F807 WeakPolarHBondContact O-CE2 3.47Å; Y805-F807 VanDerWaalsContact C-N 3.26Å; Y805-F807 PolarHBondContact O-N 3.04Å; F807-N818 WeakPolarHBondContact CD2-O 3.35Å; F807-N818 PolarHBondContact N-O 3.23Å; F807-P820 VanDerWaalsContact CD2-CD 3.41Å; F807-P820 HydrophobicContact CD2-CG 4.28Å; F807-S834 WeakPolarHBondContact CD1-O 3.46Å; F807-S834 VanDerWaalsContact CE1-C 3.49Å; F807-S834 WeakPolarHBondContact CG-O 3.46Å; F807-T835 WeakPolarHBondContact CZ-O 3.26Å; F807-A839 HydrophobicContact CZ-CB 4.37Å
808	Y	91.8	Very high	94.5	Very high	41 Å²	41	31.4 Å²	31.4	16%	0.161	15%	0.152	C	C	.	.	S	Bend	trans	-137.2	144.5	175.6	-67.9	-85.5	0	0	0	110	D806 D812 T817 D827 R862	D806-Y808 VanDerWaalsContact C-N 3.34Å; Y808-D812 WeakPolarHBondContact CA-OD2 3.4Å; Y808-T817 WeakPolarHBondContact CD2-O 3.46Å; Y808-D827 PolarHBondContact OH-OD2 2.89Å; Y808-R862 WeakPolarHBondContact O-CD 3.32Å
809	G	91.6	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.			trans	-159.2	-172.5	179.9	0	0	0	0	0	113.1	W811 D812 W864	G809-W811 PolarHBondContact O-N 3.03Å; G809-D812 PolarHBondContact N-OD2 3.49Å; G809-D812 WeakPolarHBondContact O-CB 3.45Å; G809-D812 PolarHBondContact O-N 3.43Å; G809-W864 VanDerWaalsContact C-CE2 3.45Å; G809-W864 WeakPolarHBondContact O-CZ2 3.2Å; G809-W864 PolarHBondContact O-NE1 2.93Å
810	S	90.8	Very high	94.3	Very high	34 Å²	34	30 Å²	30	24%	0.238	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.6	-176.9	56.8	0	0	0	0	115.1	D812 P881	S810-D812 VanDerWaalsContact C-N 3.27Å; S810-P881 VanDerWaalsContact CB-CA 3.48Å
811	W	89.7	Confident	94.1	Very high	139 Å²	139	30.1 Å²	30.1	53%	0.527	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.5	167.6	54.7	79.4	0	0	0	113	D806 G809	D806-W811 HydrophobicContact CB-CH2 4.23Å; G809-W811 PolarHBondContact O-N 3.03Å
812	D	89	Confident	93.5	Very high	45 Å²	45	33.5 Å²	33.5	24%	0.241	16%	0.16	C	C	.	.	S	Bend	trans	-90.4	136.5	172.5	-57.4	-62.1	0	0	0	110.7	Y808 G809 S810 Q814 W864	Y808-D812 WeakPolarHBondContact CA-OD2 3.4Å; G809-D812 PolarHBondContact N-OD2 3.49Å; G809-D812 WeakPolarHBondContact O-CB 3.45Å; G809-D812 PolarHBondContact O-N 3.43Å; S810-D812 VanDerWaalsContact C-N 3.27Å; D812-Q814 PolarHBondContact O-N 3.42Å; D812-W864 PolarHBondContact O-NE1 2.97Å
813	L	89.9	Confident	92.4	Very high	139 Å²	139	35.6 Å²	35.6	73%	0.728	18%	0.175	S	C	*	.	S	Bend	trans	-79.9	12	177.9	-63.1	-179.5	0	0	0	113.8	A878	L813-A878 PolarHBondContact O-N 3.18Å
814	Q	91.1	Very high	90.9	Very high	99 Å²	99	36.8 Å²	36.8	46%	0.463	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-142.4	150.1	176.5	64.8	-175.2	39.8	0	0	109.7	D812 W864 S876	D812-Q814 PolarHBondContact O-N 3.42Å; Q814-W864 PolarHBondContact O-NE1 2.79Å; Q814-S876 CarbonylContact C-O 3.55Å; Q814-S876 VanDerWaalsContact CA-O 3.28Å; Q814-S876 WeakPolarHBondContact CA-O 3.36Å
815	T	93.5	Very high	88.8	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	20%	0.204	C	C	.	.			trans	-65.3	140.9	176.8	61.3	0	0	0	0	110.8	W864 L866 N873 G875 S876 W926	T815-W864 HydrophobicContact CG2-CB 4.06Å; T815-W864 HydrophobicContact CG2-CD2 4.25Å; T815-W864 HydrophobicContact CG2-CE3 4.39Å; T815-W864 HydrophobicContact CG2-CG 4.16Å; T815-L866 HydrophobicContact CG2-CD2 3.68Å; T815-N873 PolarHBondContact OG1-O 2.87Å; T815-N873 VanDerWaalsContact OG1-O 3.13Å; T815-G875 VanDerWaalsContact O-CA 3.22Å; T815-G875 WeakPolarHBondContact O-CA 3.39Å; T815-G875 PolarHBondContact O-N 3.22Å; T815-G875 PolarHBondContact OG1-N 2.89Å; T815-S876 PolarHBondContact N-O 2.96Å; T815-S876 PolarHBondContact OG1-N 3.08Å; T815-W926 HydrophobicContact CG2-CB 4.14Å; T815-W926 HydrophobicContact CG2-CD2 3.57Å; T815-W926 HydrophobicContact CG2-CE3 3.73Å; T815-W926 HydrophobicContact CG2-CG 3.74Å; T815-W926 HydrophobicContact CG2-CZ3 4.36Å
816	G	91.6	Very high	86.3	Confident	4 Å²	4	44.5 Å²	44.5	4%	0.041	23%	0.227	C	C	.	.			trans	-146.7	169.8	178.4	0	0	0	0	0	111.3	W864 W926 S928	G816-W864 WeakPolarHBondContact O-CH2 3.29Å; G816-W864 WeakPolarHBondContact O-CZ3 3.19Å; G816-W926 WeakPolarHBondContact O-CZ3 3.01Å; G816-S928 WeakPolarHBondContact O-CB 3.31Å
817	T	94.3	Very high	83.8	Confident	3 Å²	3	44 Å²	44	2%	0.018	23%	0.225	C	C	.	.			trans	-86.4	126	-177.2	-57.4	0	0	0	0	111.1	Y808 S819 P820 L874 T917 S928	Y808-T817 WeakPolarHBondContact CD2-O 3.46Å; T817-S819 PolarHBondContact O-N 3.36Å; T817-P820 HydrophobicContact CG2-CB 3.68Å; T817-P820 HydrophobicContact CG2-CG 4.08Å; T817-L874 WeakPolarHBondContact OG1-CD2 3.45Å; T817-T917 HydrophobicContact CG2-CG2 3.79Å; T817-T917 WeakPolarHBondContact CG2-OG1 3.35Å; T817-S928 WeakPolarHBondContact CA-OG 3.46Å
818	N	96.3	Very high	81	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-59.9	-48.7	-179.7	179.3	34.5	0	0	0	112.5	Y805 D806 F807 Y860 R862 S928	Y805-N818 CarbonylContact C-O 3.49Å; Y805-N818 WeakPolarHBondContact CA-O 3.35Å; D806-N818 WeakPolarHBondContact CA-OD1 3.42Å; D806-N818 PolarHBondContact N-O 3.47Å; D806-N818 PolarHBondContact N-OD1 3.07Å; D806-N818 PolarHBondContact OD1-OD1 3.14Å; F807-N818 WeakPolarHBondContact CD2-O 3.35Å; F807-N818 PolarHBondContact N-O 3.23Å; N818-Y860 PolarHBondContact ND2-O 2.57Å; N818-R862 HydrophobicContact CB-CB 4.32Å; N818-R862 HydrophobicContact CB-CG 4.39Å; N818-S928 PolarHBondContact N-OG 3.34Å
819	S	97.1	Very high	78.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	27%	0.268	C	S	.	.	S	Bend	trans	-140	71.6	-176.1	-177.1	0	0	0	0	111.3	S804 T817 T917 K938	S804-S819 PolarHBondContact O-OG 2.94Å; T817-S819 PolarHBondContact O-N 3.36Å; S819-T917 VanDerWaalsContact O-CG2 3.26Å; S819-T917 WeakPolarHBondContact O-CG2 3.4Å; S819-K938 VanDerWaalsContact O-CE 3.28Å; S819-K938 WeakPolarHBondContact O-CE 3.43Å; S819-K938 PolarHBondContact O-NZ 2.79Å; S819-K938 PolarHBondContact OG-NZ 2.76Å
820	P	95.2	Very high	75.9	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.032	29%	0.286	C	S	.	.			trans	-71.8	130.1	178.8	26.2	-23.4	0	0	0	110.4	F807 T817 F822 S834 T835 M836 T915	F807-P820 VanDerWaalsContact CD2-CD 3.41Å; F807-P820 HydrophobicContact CD2-CG 4.28Å; T817-P820 HydrophobicContact CG2-CB 3.68Å; T817-P820 HydrophobicContact CG2-CG 4.08Å; P820-F822 WeakPolarHBondContact CB-O 3.47Å; P820-S834 WeakPolarHBondContact CG-O 3.33Å; P820-T835 HydrophobicContact CB-CG2 4.46Å; P820-T835 HydrophobicContact CG-CG2 4.19Å; P820-M836 PolarHBondContact O-N 3.15Å; P820-T915 HydrophobicContact CB-CG2 3.92Å
821	L	94.5	Very high	73.5	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	31%	0.307	C	S	.	.	S	Bend	trans	-64.9	-47.4	173	166.7	55.9	0	0	0	110.1	M836 A837 T915 R916 H937 K938 W941	L821-M836 HydrophobicContact CB-CE 4.17Å; L821-M836 HydrophobicContact CD1-CE 3.15Å; L821-M836 HydrophobicContact CG-CE 4.14Å; L821-A837 HydrophobicContact CD1-CB 4.45Å; L821-A837 WeakPolarHBondContact O-CB 3.46Å; L821-A837 PolarHBondContact O-N 2.85Å; L821-A837 VanDerWaalsContact O-N 3.13Å; L821-T915 PolarHBondContact N-O 3.11Å; L821-R916 HydrophobicContact CB-CB 4.22Å; L821-R916 HydrophobicContact CD2-CB 4.14Å; L821-R916 HydrophobicContact CD2-CG 4.12Å; L821-H937 HydrophobicContact CD2-CB 4.27Å; L821-K938 HydrophobicContact CB-CG 4.23Å; L821-K938 HydrophobicContact CD2-CG 4.44Å; L821-W941 HydrophobicContact CD1-CB 3.94Å; L821-W941 HydrophobicContact CD1-CD2 3.56Å; L821-W941 HydrophobicContact CD1-CE3 3.99Å; L821-W941 HydrophobicContact CD1-CG 3.51Å; L821-W941 HydrophobicContact CD2-CB 4.17Å; L821-W941 HydrophobicContact CD2-CG 4.47Å
822	F	87	Confident	71.5	Confident	71 Å²	71	49.6 Å²	49.6	31%	0.311	29%	0.294	S	S	.	.	S	Bend	trans	-125.5	166.1	175.1	-53.2	-62.4	0	0	0	111.5	P820 T835 A837 T915 R916 W941	P820-F822 WeakPolarHBondContact CB-O 3.47Å; F822-T835 VanDerWaalsContact C-CG2 3.43Å; F822-A837 HydrophobicContact CD1-CB 3.82Å; F822-A837 HydrophobicContact CE1-CB 3.87Å; F822-T915 WeakPolarHBondContact O-CA 3.47Å; F822-R916 HydrophobicContact CD2-CG 4.16Å; F822-R916 HydrophobicContact CE2-CG 4.41Å; F822-W941 AromaticContact CE1-CD1 3.89Å; F822-W941 AromaticContact CE1-NE1 3.73Å; F822-W941 AromaticContact CZ-CD1 3.61Å; F822-W941 HydrophobicContact CZ-CG 4.48Å; F822-W941 AromaticContact CZ-NE1 3.96Å
823	S	76	Confident	69.8	Low	45 Å²	45	49.8 Å²	49.8	32%	0.315	30%	0.298	S	S	.	.			trans	-74.8	153	179.8	48.8	0	0	0	0	111	T835	S823-T835 VanDerWaalsContact CA-CG2 3.49Å; S823-T835 VanDerWaalsContact N-CG2 3.27Å
824	Q	65.9	Low	69.2	Low	42 Å²	42	45.7 Å²	45.7	20%	0.196	28%	0.281	C	S	.	.			trans	-66.8	140.1	156.7	-78	174.2	91.2	0	0	109	C826 D827 L874 E914 T915	Q824-C826 PolarHBondContact O-N 3.12Å; Q824-D827 PolarHBondContact O-N 3.11Å; Q824-L874 HydrophobicContact CG-CD2 4.35Å; Q824-L874 VanDerWaalsContact NE2-CG 3.31Å; Q824-E914 WeakPolarHBondContact CA-OE2 3.34Å; Q824-T915 HydrophobicContact CG-CG2 3.66Å
825	L	53.3	Low	69.3	Low	97 Å²	97	41.3 Å²	41.3	51%	0.508	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.5	176.4	-72.8	166.1	0	0	0	112.2	E69 E914	E69-L825 HydrophobicContact CG-CD2 4.18Å; L825-E914 PolarHBondContact N-OE2 2.97Å
826	C	44	Very low	69.4	Low	80 Å²	80	41.2 Å²	41.2	54%	0.541	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-0	-176.7	-50.4	0	0	0	0	115.9	Q824 S828	Q824-C826 PolarHBondContact O-N 3.12Å; C826-S828 PolarHBondContact O-N 3.46Å
827	D	43.2	Very low	69.4	Low	47 Å²	47	41.7 Å²	41.7	25%	0.251	26%	0.264	S	S	.	.			trans	-79.5	56.5	174.3	-92.1	-6.4	0	0	0	111.1	Y808 Q824 S829	Y808-D827 PolarHBondContact OH-OD2 2.89Å; Q824-D827 PolarHBondContact O-N 3.11Å; D827-S829 VanDerWaalsContact C-N 3.26Å; D827-S829 PolarHBondContact O-N 3.48Å
828	S	35.5	Very low	69.1	Low	51 Å²	51	42.3 Å²	42.3	36%	0.357	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3	-174	56.4	0	0	0	0	115	T70 C826	T70-S828 WeakPolarHBondContact OG1-CB 3.42Å; C826-S828 PolarHBondContact O-N 3.46Å
829	S	39.3	Very low	68.9	Low	119 Å²	119	42.4 Å²	42.4	83%	0.832	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-11	-175.6	65.4	0	0	0	0	115	D827	D827-S829 VanDerWaalsContact C-N 3.26Å; D827-S829 PolarHBondContact O-N 3.48Å
830	S	37.4	Very low	68.8	Low	53 Å²	53	42.3 Å²	42.3	37%	0.371	27%	0.272	S	S	.	.			trans	-117.9	130.6	175.2	78.9	0	0	0	0	110.5	S832	S830-S832 PolarHBondContact O-N 3.26Å; S830-S832 PolarHBondContact OG-O 3.42Å
831	S	39.2	Very low	68.6	Low	98 Å²	98	44.4 Å²	44.4	69%	0.685	29%	0.289	S	S	*	.	S	Bend	trans	-68.2	10.5	-179.7	46.1	0	0	0	0	114.7
832	S	48.9	Very low	68.5	Low	37 Å²	37	45.6 Å²	45.6	26%	0.259	30%	0.295	S	S	.	.	S	Bend	trans	-159.4	87.7	-165.1	-72.5	0	0	0	0	108.8	Q781 S830 S834	Q781-S832 VanDerWaalsContact CD-CB 3.49Å; Q781-S832 PolarHBondContact OE1-OG 3.05Å; S830-S832 PolarHBondContact O-N 3.26Å; S830-S832 PolarHBondContact OG-O 3.42Å; S832-S834 PolarHBondContact O-N 3.37Å; S832-S834 VanDerWaalsContact O-N 3.17Å
833	P	53.7	Low	69	Low	50 Å²	50	42.2 Å²	42.2	33%	0.325	28%	0.28	S	S	.	.			trans	-59.4	123.5	-176.1	19.2	-29.1	0	0	0	111.1	T835	P833-T835 VanDerWaalsContact C-N 3.28Å; P833-T835 HydrophobicContact CB-CG2 4.09Å; P833-T835 PolarHBondContact O-N 3.16Å
834	S	77.1	Confident	69.8	Low	52 Å²	52	42.9 Å²	42.9	36%	0.364	28%	0.28	S	S	.	.			trans	-73.2	77.4	179.9	-71.7	0	0	0	0	110.5	F807 P820 S832	F807-S834 WeakPolarHBondContact CD1-O 3.46Å; F807-S834 VanDerWaalsContact CE1-C 3.49Å; F807-S834 WeakPolarHBondContact CG-O 3.46Å; P820-S834 WeakPolarHBondContact CG-O 3.33Å; S832-S834 PolarHBondContact O-N 3.37Å; S832-S834 VanDerWaalsContact O-N 3.17Å
835	T	91.8	Very high	71	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.043	30%	0.3	C	S	.	.	S	Bend	trans	-136.3	158.6	-173.9	66.1	0	0	0	0	111.7	F807 P820 F822 S823 P833 A837 G838 A839	F807-T835 WeakPolarHBondContact CZ-O 3.26Å; P820-T835 HydrophobicContact CB-CG2 4.46Å; P820-T835 HydrophobicContact CG-CG2 4.19Å; F822-T835 VanDerWaalsContact C-CG2 3.43Å; S823-T835 VanDerWaalsContact CA-CG2 3.49Å; S823-T835 VanDerWaalsContact N-CG2 3.27Å; P833-T835 VanDerWaalsContact C-N 3.28Å; P833-T835 HydrophobicContact CB-CG2 4.09Å; P833-T835 PolarHBondContact O-N 3.16Å; T835-A837 PolarHBondContact O-N 3.08Å; T835-G838 PolarHBondContact O-N 3.05Å; T835-G838 PolarHBondContact OG1-N 3.41Å; T835-A839 WeakPolarHBondContact O-CB 3.21Å; T835-A839 PolarHBondContact O-N 2.82Å
836	M	95.3	Very high	72.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-47.7	176.1	-179.3	176.3	81.4	0	0	111.7	P820 L821 A839 A840 I855 L857 K938 W941	P820-M836 PolarHBondContact O-N 3.15Å; L821-M836 HydrophobicContact CB-CE 4.17Å; L821-M836 HydrophobicContact CD1-CE 3.15Å; L821-M836 HydrophobicContact CG-CE 4.14Å; M836-A839 PolarHBondContact O-N 3.48Å; M836-A840 WeakPolarHBondContact O-CB 3.27Å; M836-A840 PolarHBondContact O-N 2.96Å; M836-A840 VanDerWaalsContact O-N 3.09Å; M836-I855 HydrophobicContact CE-CG2 4.21Å; M836-I855 HydrophobicContact CG-CG2 3.68Å; M836-I855 HydrophobicContact SD-CG2 3.22Å; M836-I855 WeakPolarHBondContact SD-CG2 3.26Å; M836-L857 HydrophobicContact SD-CD2 4.21Å; M836-K938 HydrophobicContact CE-CB 3.78Å; M836-K938 HydrophobicContact CE-CD 4.01Å; M836-K938 HydrophobicContact CE-CG 3.5Å; M836-K938 VanDerWaalsContact CE-CG 3.5Å; M836-K938 HydrophobicContact SD-CB 4.47Å; M836-K938 HydrophobicContact SD-CD 3.99Å; M836-K938 HydrophobicContact SD-CG 4.15Å; M836-W941 HydrophobicContact CE-CD2 4.38Å; M836-W941 HydrophobicContact CE-CE3 3.67Å; M836-W941 HydrophobicContact CE-CZ3 3.92Å; M836-W941 HydrophobicContact CG-CZ3 4.4Å
837	A	91.8	Very high	75.2	Confident	15 Å²	15	43 Å²	43	12%	0.124	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-41.9	178.8	0	0	0	0	0	112.4	L821 F822 T835 A841 W941	L821-A837 HydrophobicContact CD1-CB 4.45Å; L821-A837 WeakPolarHBondContact O-CB 3.46Å; L821-A837 PolarHBondContact O-N 2.85Å; L821-A837 VanDerWaalsContact O-N 3.13Å; F822-A837 HydrophobicContact CD1-CB 3.82Å; F822-A837 HydrophobicContact CE1-CB 3.87Å; T835-A837 PolarHBondContact O-N 3.08Å; A837-A841 VanDerWaalsContact O-CB 3.25Å; A837-A841 WeakPolarHBondContact O-CB 3.22Å; A837-A841 PolarHBondContact O-N 2.94Å; A837-W941 VanDerWaalsContact CA-CZ2 3.45Å; A837-W941 HydrophobicContact CB-CH2 4.22Å; A837-W941 HydrophobicContact CB-CZ2 3.49Å; A837-W941 VanDerWaalsContact CB-CZ2 3.49Å
838	G	88.3	Confident	77.8	Confident	16 Å²	16	40.7 Å²	40.7	17%	0.165	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-46.2	177.5	0	0	0	0	0	112.7	T835 H842	T835-G838 PolarHBondContact O-N 3.05Å; T835-G838 PolarHBondContact OG1-N 3.41Å; G838-H842 WeakPolarHBondContact O-CB 3.48Å; G838-H842 PolarHBondContact O-N 3.49Å
839	A	93.3	Very high	80.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-45.9	179.2	0	0	0	0	0	112.2	A779 L802 F807 T835 M836 H842 W843	A779-A839 HydrophobicContact CB-CB 3.65Å; A779-A839 WeakPolarHBondContact O-CB 3.37Å; L802-A839 HydrophobicContact CD2-CB 4.28Å; F807-A839 HydrophobicContact CZ-CB 4.37Å; T835-A839 WeakPolarHBondContact O-CB 3.21Å; T835-A839 PolarHBondContact O-N 2.82Å; M836-A839 PolarHBondContact O-N 3.48Å; A839-H842 PolarHBondContact O-N 2.65Å; A839-W843 PolarHBondContact O-N 3.06Å
840	A	95.1	Very high	83.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-41.2	179.5	0	0	0	0	0	112.3	L802 M836 H842 W843 N844 I855 W941 Y947	L802-A840 HydrophobicContact CD2-CB 3.81Å; M836-A840 WeakPolarHBondContact O-CB 3.27Å; M836-A840 PolarHBondContact O-N 2.96Å; M836-A840 VanDerWaalsContact O-N 3.09Å; A840-H842 VanDerWaalsContact C-N 3.28Å; A840-H842 PolarHBondContact O-N 2.8Å; A840-W843 PolarHBondContact O-N 3.41Å; A840-N844 PolarHBondContact O-N 3.27Å; A840-N844 VanDerWaalsContact O-N 3.07Å; A840-I855 HydrophobicContact CB-CD1 3.65Å; A840-W941 HydrophobicContact CB-CH2 3.87Å; A840-Y947 VanDerWaalsContact C-OH 3.26Å; A840-Y947 HydrophobicContact CB-CE1 3.75Å; A840-Y947 HydrophobicContact CB-CE2 4.11Å; A840-Y947 WeakPolarHBondContact CB-OH 3.3Å
841	A	90	Very high	86.1	Confident	48 Å²	48	39.8 Å²	39.8	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-37.9	174.9	0	0	0	0	0	111.5	A837 N844 A845 Y947	A837-A841 VanDerWaalsContact O-CB 3.25Å; A837-A841 WeakPolarHBondContact O-CB 3.22Å; A837-A841 PolarHBondContact O-N 2.94Å; A841-N844 PolarHBondContact O-N 3.04Å; A841-A845 WeakPolarHBondContact O-CB 3.35Å; A841-A845 PolarHBondContact O-N 2.92Å; A841-Y947 PolarHBondContact N-OH 3.49Å
842	H	92.5	Very high	88.9	Confident	29 Å²	29	37.8 Å²	37.8	13%	0.134	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-44.9	178.6	-161.9	72.2	0	0	0	112.4	Q781 I784 D785 G838 A839 A840 N844 A845 R846	Q781-H842 HydrophobicContact CG-CB 4.19Å; I784-H842 HydrophobicContact CD1-CB 4.42Å; D785-H842 VanDerWaalsContact CG-NE2 3.3Å; D785-H842 IonicContact OD1-CD2 2.7Å; D785-H842 IonicContact OD1-CE1 3.51Å; D785-H842 IonicContact OD1-NE2 3.72Å; D785-H842 PolarHBondContact OD1-NE2 2.93Å; D785-H842 IonicContact OD2-CE1 2.8Å; D785-H842 IonicContact OD2-NE2 3.6Å; D785-H842 PolarHBondContact OD2-NE2 3.32Å; G838-H842 WeakPolarHBondContact O-CB 3.48Å; G838-H842 PolarHBondContact O-N 3.49Å; A839-H842 PolarHBondContact O-N 2.65Å; A840-H842 VanDerWaalsContact C-N 3.28Å; A840-H842 PolarHBondContact O-N 2.8Å; H842-N844 VanDerWaalsContact C-N 3.29Å; H842-N844 PolarHBondContact O-N 3.14Å; H842-A845 PolarHBondContact O-N 2.79Å; H842-R846 WeakPolarHBondContact O-CG 3.34Å; H842-R846 PolarHBondContact O-N 2.94Å
843	W	96.6	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-43.7	171.4	-89.7	100.2	0	0	0	112.1	V777 S778 I784 Y788 V790 I800 L802 A839 A840 R846 G847 M848 I853	V777-W843 HydrophobicContact CB-CH2 3.93Å; V777-W843 HydrophobicContact CB-CZ2 3.56Å; V777-W843 HydrophobicContact CG1-CH2 4.1Å; V777-W843 HydrophobicContact CG1-CZ2 4.24Å; V777-W843 HydrophobicContact CG2-CH2 3.91Å; V777-W843 HydrophobicContact CG2-CZ2 3.4Å; V777-W843 VanDerWaalsContact CG2-CZ2 3.4Å; S778-W843 PolarHBondContact O-NE1 2.86Å; I784-W843 HydrophobicContact CD1-CG 4.11Å; I784-W843 HydrophobicContact CG1-CD2 4.42Å; I784-W843 HydrophobicContact CG1-CZ2 4.02Å; I784-W843 HydrophobicContact CG2-CD2 4.31Å; Y788-W843 AromaticContact CD1-CH2 3.95Å; Y788-W843 HydrophobicContact CD1-CH2 3.95Å; Y788-W843 HydrophobicContact CD2-CH2 4.04Å; Y788-W843 HydrophobicContact CD2-CZ2 4.01Å; Y788-W843 HydrophobicContact CE1-CH2 4.42Å; Y788-W843 HydrophobicContact CE2-CH2 4.48Å; Y788-W843 HydrophobicContact CE2-CZ2 4.14Å; Y788-W843 AromaticContact CG-CH2 3.72Å; Y788-W843 HydrophobicContact CG-CH2 3.72Å; Y788-W843 HydrophobicContact CG-CZ2 4.17Å; V790-W843 HydrophobicContact CB-CE3 4.39Å; V790-W843 HydrophobicContact CB-CZ3 4.23Å; V790-W843 HydrophobicContact CG1-CE3 3.7Å; V790-W843 HydrophobicContact CG1-CZ3 3.91Å; V790-W843 HydrophobicContact CG2-CE3 3.84Å; V790-W843 HydrophobicContact CG2-CH2 4.27Å; V790-W843 HydrophobicContact CG2-CZ3 3.6Å; I800-W843 HydrophobicContact CD1-CD2 3.63Å; I800-W843 HydrophobicContact CD1-CE3 3.55Å; I800-W843 HydrophobicContact CD1-CG 4.11Å; I800-W843 HydrophobicContact CD1-CH2 4.43Å; I800-W843 HydrophobicContact CD1-CZ3 3.95Å; L802-W843 VanDerWaalsContact CD1-CD1 3.46Å; L802-W843 VanDerWaalsContact CD1-NE1 3.32Å; A839-W843 PolarHBondContact O-N 3.06Å; A840-W843 PolarHBondContact O-N 3.41Å; W843-R846 PolarHBondContact O-N 3.44Å; W843-G847 PolarHBondContact O-N 3.35Å; W843-M848 HydrophobicContact CE3-CB 4.14Å; W843-M848 HydrophobicContact CE3-CE 4.49Å; W843-M848 HydrophobicContact CZ3-CE 4.33Å; W843-M848 WeakPolarHBondContact O-CB 3.48Å; W843-M848 PolarHBondContact O-N 3.5Å; W843-M848 VanDerWaalsContact O-N 3.12Å; W843-I853 HydrophobicContact CB-CD1 3.85Å
844	N	94.2	Very high	93.4	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-43.4	176.6	-177.9	61.8	0	0	0	112.3	A840 A841 H842 R846 G847 M848 K850 I853	A840-N844 PolarHBondContact O-N 3.27Å; A840-N844 VanDerWaalsContact O-N 3.07Å; A841-N844 PolarHBondContact O-N 3.04Å; H842-N844 VanDerWaalsContact C-N 3.29Å; H842-N844 PolarHBondContact O-N 3.14Å; N844-R846 PolarHBondContact O-N 2.91Å; N844-G847 PolarHBondContact O-N 3.09Å; N844-M848 WeakPolarHBondContact CA-O 3.4Å; N844-M848 PolarHBondContact OD1-O 2.97Å; N844-K850 HydrophobicContact CB-CG 4.26Å; N844-K850 WeakPolarHBondContact OD1-CG 3.26Å; N844-I853 HydrophobicContact CB-CD1 3.97Å
845	A	89.9	Confident	94.4	Very high	76 Å²	76	31.2 Å²	31.2	63%	0.628	18%	0.184	S	C	*	.	H	α-helix	trans	-62.2	-29.6	176.7	0	0	0	0	0	112.9	A841 H842 G847	A841-A845 WeakPolarHBondContact O-CB 3.35Å; A841-A845 PolarHBondContact O-N 2.92Å; H842-A845 PolarHBondContact O-N 2.79Å; A845-G847 VanDerWaalsContact C-N 3.3Å
846	R	93.8	Very high	94.8	Very high	105 Å²	105	30.9 Å²	30.9	40%	0.396	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.9	174.4	-62.1	-54.1	-176.6	125.5	-5.6	114.4	I784 D785 V790 P791 H842 W843 N844	I784-R846 HydrophobicContact CG2-CG 4.13Å; D785-R846 IonicContact OD1-CZ 2.59Å; D785-R846 IonicContact OD1-NE 2.93Å; D785-R846 PolarHBondContact OD1-NE 2.79Å; D785-R846 IonicContact OD1-NH1 2.62Å; D785-R846 PolarHBondContact OD1-NH1 2.7Å; D785-R846 IonicContact OD1-NH2 3.48Å; D785-R846 PolarHBondContact OD1-NH2 3.06Å; D785-R846 IonicContact OD2-CZ 2.66Å; D785-R846 IonicContact OD2-NH2 3.63Å; D785-R846 PolarHBondContact OD2-NH2 2.99Å; V790-R846 HydrophobicContact CB-CB 3.86Å; V790-R846 WeakPolarHBondContact CB-O 3.34Å; V790-R846 HydrophobicContact CG1-CB 3.97Å; V790-R846 WeakPolarHBondContact CG1-O 3.38Å; V790-R846 HydrophobicContact CG2-CB 3.84Å; P791-R846 WeakPolarHBondContact CD-O 3.49Å; P791-R846 WeakPolarHBondContact CG-O 3.32Å; H842-R846 WeakPolarHBondContact O-CG 3.34Å; H842-R846 PolarHBondContact O-N 2.94Å; W843-R846 PolarHBondContact O-N 3.44Å; N844-R846 PolarHBondContact O-N 2.91Å
847	G	91.8	Very high	94.9	Very high	39 Å²	39	30.9 Å²	30.9	40%	0.402	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.3	8.9	168.4	0	0	0	0	0	115.9	W843 N844 A845 P849	W843-G847 PolarHBondContact O-N 3.35Å; N844-G847 PolarHBondContact O-N 3.09Å; A845-G847 VanDerWaalsContact C-N 3.3Å; G847-P849 WeakPolarHBondContact O-CD 3.28Å
848	M	97.3	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.			trans	-80.7	119.5	170.2	-175.1	61.3	66.4	0	0	109.9	V790 L793 A794 I800 W843 N844 K850 K852 I853	V790-M848 HydrophobicContact CG1-CB 3.73Å; L793-M848 HydrophobicContact CB-CE 4.34Å; A794-M848 HydrophobicContact CB-CE 3.83Å; A794-M848 HydrophobicContact CB-SD 3.7Å; I800-M848 HydrophobicContact CD1-CE 4.35Å; I800-M848 HydrophobicContact CD1-CG 3.97Å; I800-M848 HydrophobicContact CG1-CE 4.41Å; I800-M848 HydrophobicContact CG1-CG 4.17Å; I800-M848 HydrophobicContact CG1-SD 4.48Å; I800-M848 HydrophobicContact CG2-CE 3.86Å; W843-M848 HydrophobicContact CE3-CB 4.14Å; W843-M848 HydrophobicContact CE3-CE 4.49Å; W843-M848 HydrophobicContact CZ3-CE 4.33Å; W843-M848 WeakPolarHBondContact O-CB 3.48Å; W843-M848 PolarHBondContact O-N 3.5Å; W843-M848 VanDerWaalsContact O-N 3.12Å; N844-M848 WeakPolarHBondContact CA-O 3.4Å; N844-M848 PolarHBondContact OD1-O 2.97Å; M848-K850 PolarHBondContact O-N 2.99Å; M848-K852 HydrophobicContact CG-CB 4.37Å; M848-K852 HydrophobicContact SD-CB 3.77Å; M848-K852 HydrophobicContact SD-CD 4.31Å; M848-I853 HydrophobicContact CB-CD1 4.14Å; M848-I853 HydrophobicContact CB-CG1 4.14Å; M848-I853 HydrophobicContact CG-CD1 4.05Å; M848-I853 HydrophobicContact CG-CG1 3.48Å; M848-I853 VanDerWaalsContact CG-CG1 3.48Å
849	P	96.4	Very high	95.7	Very high	61 Å²	61	29.4 Å²	29.4	40%	0.396	17%	0.169	S	C	.	.			trans	-58	134.6	178.3	-24.3	33.7	0	0	0	111.5	G847 K851 K852	G847-P849 WeakPolarHBondContact O-CD 3.28Å; P849-K851 PolarHBondContact O-N 2.97Å; P849-K852 WeakPolarHBondContact O-CA 3.22Å; P849-K852 WeakPolarHBondContact O-CB 3.41Å; P849-K852 PolarHBondContact O-N 3.39Å
850	K	95.3	Very high	96	Very high	49 Å²	49	29.7 Å²	29.7	21%	0.213	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-47	-41.1	178.4	-71.9	-166.9	165.8	-171.7	0	114.1	N844 M848 K852 I853 E945 G946 Y947 G948	N844-K850 HydrophobicContact CB-CG 4.26Å; N844-K850 WeakPolarHBondContact OD1-CG 3.26Å; M848-K850 PolarHBondContact O-N 2.99Å; K850-K852 PolarHBondContact O-N 3.45Å; K850-K852 VanDerWaalsContact O-N 3.16Å; K850-I853 PolarHBondContact O-N 3.27Å; K850-E945 VanDerWaalsContact CD-O 3.26Å; K850-E945 WeakPolarHBondContact CD-O 3.24Å; K850-E945 PolarHBondContact NZ-O 2.75Å; K850-E945 IonicContact NZ-OE2 2.72Å; K850-E945 PolarHBondContact NZ-OE2 2.9Å; K850-G946 WeakPolarHBondContact CB-O 3.37Å; K850-Y947 HydrophobicContact CB-CD1 3.98Å; K850-Y947 HydrophobicContact CB-CE1 4.27Å; K850-Y947 HydrophobicContact CD-CD1 4.46Å; K850-Y947 HydrophobicContact CD-CE1 4.24Å; K850-Y947 HydrophobicContact CG-CD1 4.08Å; K850-Y947 HydrophobicContact CG-CE1 3.87Å; K850-Y947 CarbonylContact O-C 3.55Å; K850-Y947 WeakPolarHBondContact O-CA 3.31Å; K850-G948 PolarHBondContact O-N 2.97Å
851	K	96.2	Very high	96.1	Very high	94 Å²	94	29.7 Å²	29.7	41%	0.409	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-64.7	-13.8	178.4	-66.5	-69.6	178.2	175.6	0	114.6	N615 P849 G948	N615-K851 VanDerWaalsContact CG-NZ 3.25Å; N615-K851 WeakPolarHBondContact OD1-CE 3.3Å; N615-K851 PolarHBondContact OD1-NZ 3.27Å; P849-K851 PolarHBondContact O-N 2.97Å; K851-G948 WeakPolarHBondContact O-CA 3.39Å
852	K	98	Very high	96.5	Very high	56 Å²	56	28.8 Å²	28.8	24%	0.243	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-102.7	2.4	173.7	-69.9	-164.1	171.8	-168.4	0	113.4	A794 L797 D798 F799 I800 M848 P849 K850	A794-K852 PolarHBondContact O-NZ 3.25Å; L797-K852 PolarHBondContact O-NZ 2.97Å; D798-K852 WeakPolarHBondContact O-CD 3.29Å; D798-K852 WeakPolarHBondContact O-CE 3.42Å; F799-K852 WeakPolarHBondContact CA-O 3.23Å; F799-K852 HydrophobicContact CB-CB 4.36Å; F799-K852 WeakPolarHBondContact CB-O 3.47Å; I800-K852 VanDerWaalsContact CG1-O 3.3Å; I800-K852 WeakPolarHBondContact CG1-O 3.49Å; I800-K852 PolarHBondContact N-O 3.07Å; M848-K852 HydrophobicContact CG-CB 4.37Å; M848-K852 HydrophobicContact SD-CB 3.77Å; M848-K852 HydrophobicContact SD-CD 4.31Å; P849-K852 WeakPolarHBondContact O-CA 3.22Å; P849-K852 WeakPolarHBondContact O-CB 3.41Å; P849-K852 PolarHBondContact O-N 3.39Å; K850-K852 PolarHBondContact O-N 3.45Å; K850-K852 VanDerWaalsContact O-N 3.16Å
853	I	98.3	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.3	177.1	-54.2	173.3	0	0	0	107.8	I800 L802 W843 N844 M848 K850 I855 Y947 G948	I800-I853 HydrophobicContact CD1-CG1 4.23Å; I800-I853 HydrophobicContact CD1-CG2 4.48Å; I800-I853 HydrophobicContact CG1-CG1 4.4Å; L802-I853 HydrophobicContact CB-CG2 4.16Å; L802-I853 HydrophobicContact CD2-CG2 3.95Å; W843-I853 HydrophobicContact CB-CD1 3.85Å; N844-I853 HydrophobicContact CB-CD1 3.97Å; M848-I853 HydrophobicContact CB-CD1 4.14Å; M848-I853 HydrophobicContact CB-CG1 4.14Å; M848-I853 HydrophobicContact CG-CD1 4.05Å; M848-I853 HydrophobicContact CG-CG1 3.48Å; M848-I853 VanDerWaalsContact CG-CG1 3.48Å; K850-I853 PolarHBondContact O-N 3.27Å; I853-I855 HydrophobicContact CG2-CD1 3.91Å; I853-Y947 HydrophobicContact CB-CD1 3.92Å; I853-Y947 HydrophobicContact CB-CE1 4.37Å; I853-Y947 HydrophobicContact CD1-CD1 4.3Å; I853-Y947 HydrophobicContact CD1-CE1 3.97Å; I853-Y947 HydrophobicContact CG2-CD1 4.15Å; I853-Y947 HydrophobicContact CG2-CE1 4.39Å; I853-G948 PolarHBondContact O-N 2.88Å
854	I	98.6	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.6	178.6	-46.8	-47.5	0	0	0	107.7	I618 F799 I800 L802 F951	I618-I854 HydrophobicContact CB-CD1 3.87Å; I618-I854 HydrophobicContact CB-CG1 4.45Å; I618-I854 HydrophobicContact CD1-CD1 3.67Å; I618-I854 HydrophobicContact CD1-CG1 4.34Å; I618-I854 HydrophobicContact CG1-CD1 4.33Å; I618-I854 HydrophobicContact CG2-CD1 4.19Å; I618-I854 HydrophobicContact CG2-CG1 4.22Å; I618-I854 HydrophobicContact CG2-CG2 4.13Å; F799-I854 HydrophobicContact CB-CD1 4.23Å; F799-I854 HydrophobicContact CB-CG1 3.95Å; F799-I854 HydrophobicContact CD2-CB 4.44Å; F799-I854 HydrophobicContact CD2-CD1 4.39Å; F799-I854 HydrophobicContact CD2-CG1 3.4Å; F799-I854 VanDerWaalsContact CD2-CG1 3.4Å; F799-I854 HydrophobicContact CE2-CG1 4.03Å; F799-I854 HydrophobicContact CG-CD1 4.33Å; F799-I854 HydrophobicContact CG-CG1 3.8Å; I800-I854 WeakPolarHBondContact O-CB 3.49Å; I800-I854 WeakPolarHBondContact O-CG1 3.32Å; I800-I854 PolarHBondContact O-N 3.11Å; L802-I854 PolarHBondContact N-O 3.37Å; I854-F951 HydrophobicContact CB-CD1 4.39Å; I854-F951 HydrophobicContact CG2-CB 4.13Å; I854-F951 HydrophobicContact CG2-CD1 4.04Å
855	I	98.6	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.2	-168.5	-60.1	-60.4	0	0	0	110.8	L802 M836 A840 I853 L857 W941 I942 Y947 G949 A950 F951	L802-I855 HydrophobicContact CD2-CD1 4.12Å; M836-I855 HydrophobicContact CE-CG2 4.21Å; M836-I855 HydrophobicContact CG-CG2 3.68Å; M836-I855 HydrophobicContact SD-CG2 3.22Å; M836-I855 WeakPolarHBondContact SD-CG2 3.26Å; A840-I855 HydrophobicContact CB-CD1 3.65Å; I853-I855 HydrophobicContact CG2-CD1 3.91Å; I855-L857 HydrophobicContact CG2-CD2 4.37Å; I855-W941 HydrophobicContact CD1-CZ3 4.15Å; I855-W941 HydrophobicContact CG1-CZ3 4.14Å; I855-I942 HydrophobicContact CB-CD1 3.67Å; I855-I942 HydrophobicContact CB-CG1 3.97Å; I855-I942 HydrophobicContact CG1-CD1 4.14Å; I855-I942 HydrophobicContact CG1-CG1 3.87Å; I855-I942 HydrophobicContact CG2-CD1 3.88Å; I855-I942 HydrophobicContact CG2-CG1 4.21Å; I855-Y947 HydrophobicContact CD1-CD1 4.45Å; I855-Y947 HydrophobicContact CD1-CG 4.29Å; I855-Y947 HydrophobicContact CG1-CG 4.32Å; I855-G949 PolarHBondContact N-O 3.5Å; I855-A950 CarbonylContact O-C 3.55Å; I855-A950 WeakPolarHBondContact O-CA 3.34Å; I855-F951 PolarHBondContact O-N 3.27Å
856	G	98.6	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.9	-179.4	0	0	0	0	0	112.9	L802 S804 F951	L802-G856 WeakPolarHBondContact O-CA 3.29Å; L802-G856 PolarHBondContact O-N 2.84Å; S804-G856 PolarHBondContact OG-N 3.1Å; S804-G856 VanDerWaalsContact OG-N 3.15Å; S804-G856 PolarHBondContact OG-O 2.76Å; G856-F951 VanDerWaalsContact CA-CZ 3.49Å; G856-F951 WeakPolarHBondContact CA-O 3.23Å; G856-F951 VanDerWaalsContact N-CE1 3.35Å
857	L	98.7	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.3	176.5	-54.9	-177.6	0	0	0	109.7	M836 I855 F935 K938 I939 A950 F951 V952 W953 L980	M836-L857 HydrophobicContact SD-CD2 4.21Å; I855-L857 HydrophobicContact CG2-CD2 4.37Å; L857-F935 HydrophobicContact CB-CE1 3.86Å; L857-F935 HydrophobicContact CB-CE2 4.09Å; L857-F935 HydrophobicContact CB-CZ 3.58Å; L857-F935 HydrophobicContact CD1-CD1 3.94Å; L857-F935 HydrophobicContact CD1-CE1 3.9Å; L857-F935 HydrophobicContact CD1-CG 4.46Å; L857-F935 HydrophobicContact CD1-CZ 4.4Å; L857-K938 HydrophobicContact CD2-CB 3.86Å; L857-K938 HydrophobicContact CD2-CD 3.63Å; L857-K938 HydrophobicContact CD2-CG 4.34Å; L857-I939 HydrophobicContact CD1-CG1 4.3Å; L857-A950 HydrophobicContact CD1-CB 4Å; L857-A950 HydrophobicContact CG-CB 4.32Å; L857-F951 PolarHBondContact N-O 3.17Å; L857-V952 HydrophobicContact CB-CG1 4.35Å; L857-V952 WeakPolarHBondContact O-CA 3.29Å; L857-W953 PolarHBondContact O-N 3.18Å; L857-W953 VanDerWaalsContact O-N 3.14Å; L857-L980 HydrophobicContact CD1-CD2 3.86Å
858	P	98.5	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.5	-179.5	33.6	-33.9	0	0	0	110.8	Y805 Y860 D930 F935 W953	Y805-P858 HydrophobicContact CD1-CB 4.12Å; Y805-P858 HydrophobicContact CD1-CG 4.31Å; Y805-P858 HydrophobicContact CG-CB 4.09Å; Y805-P858 HydrophobicContact CG-CG 4.32Å; P858-Y860 HydrophobicContact CB-CD1 3.67Å; P858-Y860 HydrophobicContact CB-CE1 3.37Å; P858-Y860 HydrophobicContact CB-CG 4.48Å; P858-D930 WeakPolarHBondContact CG-OD2 3.43Å; P858-F935 WeakPolarHBondContact O-CE2 3.33Å; P858-W953 CarbonylContact C-O 3.55Å; P858-W953 WeakPolarHBondContact CA-O 3.39Å
859	T	98.6	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.155	C	C	.	.	S	Bend	trans	-94.1	23	168.9	53.7	0	0	0	0	111.6	Y896 F935 V952 W953 S954 M957 D958 L976	T859-Y896 WeakPolarHBondContact O-CB 3.32Å; T859-Y896 PolarHBondContact O-N 3.08Å; T859-F935 HydrophobicContact CG2-CZ 3.97Å; T859-V952 HydrophobicContact CG2-CB 4.26Å; T859-V952 HydrophobicContact CG2-CG1 4.33Å; T859-W953 PolarHBondContact N-O 2.9Å; T859-W953 PolarHBondContact OG1-O 2.89Å; T859-S954 PolarHBondContact OG1-N 2.86Å; T859-S954 PolarHBondContact OG1-O 3.17Å; T859-M957 CarbonylContact O-C 3.55Å; T859-M957 WeakPolarHBondContact O-CB 3.08Å; T859-M957 VanDerWaalsContact O-O 3.06Å; T859-M957 WeakPolarHBondContact OG1-CB 3.42Å; T859-D958 HydrophobicContact CG2-CB 4.14Å; T859-L976 HydrophobicContact CG2-CB 4.22Å; T859-L976 HydrophobicContact CG2-CD1 4.14Å
860	Y	98.5	Very high	96.6	Very high	6 Å²	6	34.2 Å²	34.2	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	164.7	175.4	69.3	-77.1	0	0	0	110.8	Y805 D806 N818 P858 R862 I893 A894 W953 M957	Y805-Y860 WeakPolarHBondContact CD2-OH 3.19Å; D806-Y860 PolarHBondContact OD1-OH 2.74Å; D806-Y860 PolarHBondContact OD2-OH 3.28Å; N818-Y860 PolarHBondContact ND2-O 2.57Å; P858-Y860 HydrophobicContact CB-CD1 3.67Å; P858-Y860 HydrophobicContact CB-CE1 3.37Å; P858-Y860 HydrophobicContact CB-CG 4.48Å; Y860-R862 HydrophobicContact CE2-CG 4.24Å; Y860-I893 HydrophobicContact CD2-CG2 4.2Å; Y860-A894 CarbonylContact C-O 3.58Å; Y860-A894 WeakPolarHBondContact CA-O 3.47Å; Y860-A894 VanDerWaalsContact CB-O 3.31Å; Y860-A894 WeakPolarHBondContact CB-O 3.45Å; Y860-W953 AromaticContact CD1-CD1 3.82Å; Y860-W953 AromaticContact CE1-CD1 3.45Å; Y860-W953 VanDerWaalsContact CE1-CD1 3.45Å; Y860-W953 HydrophobicContact CE1-CG 4.41Å; Y860-M957 VanDerWaalsContact CB-SD 3.59Å; Y860-M957 HydrophobicContact CD1-SD 3.96Å; Y860-M957 HydrophobicContact CG-SD 3.98Å
861	G	98.2	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.5	171.4	0	0	0	0	0	113	I893 A894 S928	G861-I893 WeakPolarHBondContact O-CA 3.48Å; G861-A894 PolarHBondContact N-O 3.29Å; G861-A894 PolarHBondContact O-N 2.76Å; G861-S928 CarbonylContact C-O 3.57Å; G861-S928 WeakPolarHBondContact CA-O 3.49Å
862	R	97.9	Very high	95.9	Very high	30 Å²	30	32.6 Å²	32.6	11%	0.113	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.6	169.2	-69.4	-166.6	173	-78.6	1.5	110.6	D806 Y808 N818 Y860 W864 G892 F927 S928	D806-R862 VanDerWaalsContact CG-NE 3.3Å; D806-R862 IonicContact OD1-CZ 2.92Å; D806-R862 IonicContact OD1-NE 3.3Å; D806-R862 PolarHBondContact OD1-NE 2.91Å; D806-R862 IonicContact OD1-NH2 2.9Å; D806-R862 PolarHBondContact OD1-NH2 2.82Å; D806-R862 IonicContact OD2-CZ 2.85Å; D806-R862 IonicContact OD2-NE 3.39Å; D806-R862 IonicContact OD2-NH2 3.09Å; D806-R862 PolarHBondContact OD2-NH2 2.88Å; Y808-R862 WeakPolarHBondContact O-CD 3.32Å; N818-R862 HydrophobicContact CB-CB 4.32Å; N818-R862 HydrophobicContact CB-CG 4.39Å; Y860-R862 HydrophobicContact CE2-CG 4.24Å; R862-W864 HydrophobicContact CB-CH2 4.4Å; R862-W864 HydrophobicContact CB-CZ3 4.28Å; R862-W864 WeakPolarHBondContact O-CZ3 3.39Å; R862-G892 CarbonylContact C-O 3.54Å; R862-G892 VanDerWaalsContact CA-O 3.31Å; R862-G892 WeakPolarHBondContact CA-O 3.45Å; R862-F927 CarbonylContact O-C 3.59Å; R862-F927 WeakPolarHBondContact O-CA 3.35Å; R862-S928 PolarHBondContact N-O 2.84Å; R862-S928 PolarHBondContact O-N 3.32Å
863	G	97.5	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.9	-171.2	0	0	0	0	0	116.1	S882 G892 W926 F927	G863-S882 WeakPolarHBondContact CA-OG 2.97Å; G863-S882 PolarHBondContact O-N 3.32Å; G863-S882 VanDerWaalsContact O-N 3.09Å; G863-G892 PolarHBondContact N-O 3.43Å; G863-G892 WeakPolarHBondContact O-CA 3.41Å; G863-W926 CarbonylContact C-O 3.46Å; G863-W926 WeakPolarHBondContact CA-O 3.47Å; G863-F927 VanDerWaalsContact CA-CD1 3.48Å
864	W	97.8	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.6	-179	-68.2	-99.9	0	0	0	110.6	G809 D812 Q814 T815 G816 R862 A878 G880 W926	G809-W864 VanDerWaalsContact C-CE2 3.45Å; G809-W864 WeakPolarHBondContact O-CZ2 3.2Å; G809-W864 PolarHBondContact O-NE1 2.93Å; D812-W864 PolarHBondContact O-NE1 2.97Å; Q814-W864 PolarHBondContact O-NE1 2.79Å; T815-W864 HydrophobicContact CG2-CB 4.06Å; T815-W864 HydrophobicContact CG2-CD2 4.25Å; T815-W864 HydrophobicContact CG2-CE3 4.39Å; T815-W864 HydrophobicContact CG2-CG 4.16Å; G816-W864 WeakPolarHBondContact O-CH2 3.29Å; G816-W864 WeakPolarHBondContact O-CZ3 3.19Å; R862-W864 HydrophobicContact CB-CH2 4.4Å; R862-W864 HydrophobicContact CB-CZ3 4.28Å; R862-W864 WeakPolarHBondContact O-CZ3 3.39Å; W864-A878 HydrophobicContact CB-CB 3.74Å; W864-A878 VanDerWaalsContact CD1-CB 3.49Å; W864-A878 HydrophobicContact CG-CB 3.91Å; W864-G880 CarbonylContact C-O 3.56Å; W864-G880 WeakPolarHBondContact CA-O 3.34Å; W864-W926 AromaticContact CE3-CE3 3.57Å; W864-W926 HydrophobicContact CE3-CE3 3.57Å; W864-W926 AromaticContact CE3-CZ3 3.76Å; W864-W926 HydrophobicContact CE3-CZ3 3.76Å; W864-W926 HydrophobicContact CH2-CZ3 4.5Å; W864-W926 AromaticContact CZ3-CE3 3.87Å; W864-W926 HydrophobicContact CZ3-CE3 3.87Å; W864-W926 AromaticContact CZ3-CZ3 3.54Å; W864-W926 HydrophobicContact CZ3-CZ3 3.54Å; W864-W926 PolarHBondContact N-O 2.7Å; W864-W926 PolarHBondContact O-N 3.17Å
865	R	97.2	Very high	94.6	Very high	105 Å²	105	38.1 Å²	38.1	40%	0.396	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.5	161.3	-173.7	174.7	60.3	-171.7	-2.2	109.2	A878 N879 G880 D924	R865-A878 CarbonylContact O-C 3.6Å; R865-A878 WeakPolarHBondContact O-CA 3.37Å; R865-N879 PolarHBondContact O-N 3.31Å; R865-G880 PolarHBondContact N-O 3.06Å; R865-D924 CarbonylContact C-O 3.45Å; R865-D924 WeakPolarHBondContact CA-O 3.5Å; R865-D924 VanDerWaalsContact CD-OD2 3.28Å; R865-D924 WeakPolarHBondContact CD-OD2 3.28Å; R865-D924 HydrophobicContact CG-CB 4.35Å; R865-D924 WeakPolarHBondContact CG-OD2 3.27Å
866	L	96.7	Very high	94.3	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	143.6	178.9	-65.4	174.4	0	0	0	111.2	T815 N868 V921 D924 W926	T815-L866 HydrophobicContact CG2-CD2 3.68Å; L866-N868 VanDerWaalsContact C-N 3.3Å; L866-V921 HydrophobicContact CD1-CG1 4.1Å; L866-D924 PolarHBondContact N-O 2.78Å; L866-W926 HydrophobicContact CD1-CB 4.19Å; L866-W926 HydrophobicContact CD2-CB 3.85Å; L866-W926 HydrophobicContact CD2-CG 4.09Å; L866-W926 HydrophobicContact CG-CB 3.85Å
867	K	94.3	Very high	94	Very high	145 Å²	145	41.7 Å²	41.7	63%	0.63	23%	0.232	S	C	*	.	S	Bend	trans	-70.3	-31.6	173	-172.6	170.3	-176.5	174.7	0	111.9	P877	K867-P877 HydrophobicContact CB-CB 4.1Å; K867-P877 WeakPolarHBondContact CB-O 3.49Å; K867-P877 HydrophobicContact CD-CB 4.28Å; K867-P877 PolarHBondContact N-O 3.44Å
868	N	92.4	Very high	93.8	Very high	85 Å²	85	42 Å²	42	46%	0.455	23%	0.234	S	C	.	.	S	Bend	trans	-140	121.7	174.4	-177.5	-15.9	0	0	0	108.7	L866 S870 T871	L866-N868 VanDerWaalsContact C-N 3.3Å; N868-S870 PolarHBondContact O-N 2.99Å; N868-S870 VanDerWaalsContact O-N 3.09Å; N868-S870 WeakPolarHBondContact OD1-CB 3.47Å; N868-S870 PolarHBondContact OD1-N 3.09Å; N868-S870 PolarHBondContact OD1-OG 3.36Å; N868-T871 PolarHBondContact O-N 2.94Å; N868-T871 PolarHBondContact O-OG1 3.3Å
869	A	89.9	Confident	93.5	Very high	42 Å²	42	46.2 Å²	46.2	35%	0.347	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.6	-179.9	0	0	0	0	0	113.6	K872 D924	A869-K872 VanDerWaalsContact O-CE 3.29Å; A869-K872 WeakPolarHBondContact O-CE 3.2Å; A869-K872 VanDerWaalsContact O-CG 3.28Å; A869-K872 WeakPolarHBondContact O-CG 3.29Å; A869-D924 HydrophobicContact CB-CB 4.44Å
870	S	88.2	Confident	93.2	Very high	102 Å²	102	46.6 Å²	46.6	71%	0.713	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.2	173.5	-52.2	0	0	0	0	113.7	N868	N868-S870 PolarHBondContact O-N 2.99Å; N868-S870 VanDerWaalsContact O-N 3.09Å; N868-S870 WeakPolarHBondContact OD1-CB 3.47Å; N868-S870 PolarHBondContact OD1-N 3.09Å; N868-S870 PolarHBondContact OD1-OG 3.36Å
871	T	88.1	Confident	93.1	Very high	54 Å²	54	49.2 Å²	49.2	33%	0.331	28%	0.279	S	S	.	.			trans	-99.2	88.7	176.5	54.1	0	0	0	0	109.3	N868 S876	N868-T871 PolarHBondContact O-N 2.94Å; N868-T871 PolarHBondContact O-OG1 3.3Å; T871-S876 WeakPolarHBondContact O-CB 3.5Å; T871-S876 PolarHBondContact O-OG 3.1Å
872	K	89.8	Confident	93.1	Very high	55 Å²	55	49.2 Å²	49.2	24%	0.239	28%	0.279	C	S	.	.			trans	-100	-5.1	-170.9	-59.6	-174.7	179.8	177.2	0	114.4	A869 E908 Y919 V921 W926	A869-K872 VanDerWaalsContact O-CE 3.29Å; A869-K872 WeakPolarHBondContact O-CE 3.2Å; A869-K872 VanDerWaalsContact O-CG 3.28Å; A869-K872 WeakPolarHBondContact O-CG 3.29Å; K872-E908 IonicContact NZ-OE1 3.3Å; K872-E908 PolarHBondContact NZ-OE1 3.32Å; K872-E908 IonicContact NZ-OE2 3.01Å; K872-Y919 VanDerWaalsContact O-CE2 3.32Å; K872-Y919 WeakPolarHBondContact O-CE2 3.3Å; K872-V921 HydrophobicContact CB-CG1 4.42Å; K872-V921 HydrophobicContact CB-CG2 4.21Å; K872-V921 HydrophobicContact CD-CB 4.46Å; K872-V921 HydrophobicContact CD-CG1 4.06Å; K872-V921 HydrophobicContact CG-CG1 4.05Å; K872-W926 PolarHBondContact O-NE1 2.87Å
873	N	89.5	Confident	93	Very high	110 Å²	110	53.4 Å²	53.4	59%	0.588	30%	0.3	S	S	*	.	S	Bend	trans	-72.2	161.4	-173.8	-62.9	-31.2	0	0	0	111.6	T815 S876	T815-N873 PolarHBondContact OG1-O 2.87Å; T815-N873 VanDerWaalsContact OG1-O 3.13Å; N873-S876 PolarHBondContact N-OG 3.16Å; N873-S876 VanDerWaalsContact N-OG 3.1Å; N873-S876 WeakPolarHBondContact O-CB 3.28Å; N873-S876 PolarHBondContact O-N 3.42Å; N873-S876 VanDerWaalsContact O-N 3.17Å; N873-S876 PolarHBondContact O-OG 2.97Å
874	L	88.4	Confident	92.9	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.126	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	136.2	164.5	-168.7	50.4	0	0	0	110	T817 Q824 N912 W926	T817-L874 WeakPolarHBondContact OG1-CD2 3.45Å; Q824-L874 HydrophobicContact CG-CD2 4.35Å; Q824-L874 VanDerWaalsContact NE2-CG 3.31Å; L874-N912 HydrophobicContact CD2-CB 4.46Å; L874-W926 HydrophobicContact CD1-CH2 3.64Å; L874-W926 HydrophobicContact CD1-CZ2 3.87Å
875	G	89	Confident	92.8	Very high	37 Å²	37	57.9 Å²	57.9	38%	0.381	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	7.2	-171.6	0	0	0	0	0	115.1	T815	T815-G875 VanDerWaalsContact O-CA 3.22Å; T815-G875 WeakPolarHBondContact O-CA 3.39Å; T815-G875 PolarHBondContact O-N 3.22Å; T815-G875 PolarHBondContact OG1-N 2.89Å
876	S	92.1	Very high	92.7	Very high	8 Å²	8	57.7 Å²	57.7	6%	0.056	33%	0.33	C	S	.	.			trans	-70.6	140.6	179.8	-66.9	0	0	0	0	111.7	Q814 T815 T871 N873	Q814-S876 CarbonylContact C-O 3.55Å; Q814-S876 VanDerWaalsContact CA-O 3.28Å; Q814-S876 WeakPolarHBondContact CA-O 3.36Å; T815-S876 PolarHBondContact N-O 2.96Å; T815-S876 PolarHBondContact OG1-N 3.08Å; T871-S876 WeakPolarHBondContact O-CB 3.5Å; T871-S876 PolarHBondContact O-OG 3.1Å; N873-S876 PolarHBondContact N-OG 3.16Å; N873-S876 VanDerWaalsContact N-OG 3.1Å; N873-S876 WeakPolarHBondContact O-CB 3.28Å; N873-S876 PolarHBondContact O-N 3.42Å; N873-S876 VanDerWaalsContact O-N 3.17Å; N873-S876 PolarHBondContact O-OG 2.97Å
877	P	93.5	Very high	92.7	Very high	67 Å²	67	58 Å²	58	44%	0.435	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-60.9	140.6	178.3	-23.2	33.4	0	0	0	112.8	K867	K867-P877 HydrophobicContact CB-CB 4.1Å; K867-P877 WeakPolarHBondContact CB-O 3.49Å; K867-P877 HydrophobicContact CD-CB 4.28Å; K867-P877 PolarHBondContact N-O 3.44Å
878	A	93.6	Very high	92.7	Very high	7 Å²	7	51.6 Å²	51.6	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.1	-178.7	0	0	0	0	0	112.6	L813 W864 R865	L813-A878 PolarHBondContact O-N 3.18Å; W864-A878 HydrophobicContact CB-CB 3.74Å; W864-A878 VanDerWaalsContact CD1-CB 3.49Å; W864-A878 HydrophobicContact CG-CB 3.91Å; R865-A878 CarbonylContact O-C 3.6Å; R865-A878 WeakPolarHBondContact O-CA 3.37Å
879	N	92.3	Very high	92.8	Very high	88 Å²	88	55.7 Å²	55.7	47%	0.471	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	2.7	177.3	-74.5	-28.5	0	0	0	113.2	R865	R865-N879 PolarHBondContact O-N 3.31Å
880	G	92.4	Very high	92.9	Very high	10 Å²	10	59 Å²	59	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.3	-164.1	-176.9	0	0	0	0	0	112.9	W864 R865	W864-G880 CarbonylContact C-O 3.56Å; W864-G880 WeakPolarHBondContact CA-O 3.34Å; R865-G880 PolarHBondContact N-O 3.06Å
881	P	96.9	Very high	93.3	Very high	61 Å²	61	57.2 Å²	57.2	40%	0.396	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	151.4	-178	25.4	-33.8	0	0	0	112.3	S810	S810-P881 VanDerWaalsContact CB-CA 3.48Å
882	S	97.3	Very high	93.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.7	160.2	164.2	57.3	0	0	0	0	110.9	G863 S891 G892 Q925 F927	G863-S882 WeakPolarHBondContact CA-OG 2.97Å; G863-S882 PolarHBondContact O-N 3.32Å; G863-S882 VanDerWaalsContact O-N 3.09Å; S882-S891 CarbonylContact O-C 3.59Å; S882-S891 WeakPolarHBondContact O-CA 3.3Å; S882-S891 WeakPolarHBondContact O-CB 3.29Å; S882-G892 PolarHBondContact O-N 3.41Å; S882-G892 VanDerWaalsContact OG-CA 3.31Å; S882-G892 WeakPolarHBondContact OG-CA 3.11Å; S882-G892 PolarHBondContact OG-N 3.16Å; S882-Q925 VanDerWaalsContact CA-OE1 3.23Å; S882-F927 WeakPolarHBondContact OG-CE1 3.45Å; S882-F927 WeakPolarHBondContact OG-CZ 3.44Å
883	Q	96.4	Very high	94.1	Very high	117 Å²	117	52.7 Å²	52.7	55%	0.547	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63	146.7	178.2	-63.4	180	25.2	0	0	110.8	L885	Q883-L885 PolarHBondContact O-N 3.3Å
884	S	95.7	Very high	94.5	Very high	58 Å²	58	47.5 Å²	47.5	41%	0.406	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-63	131.7	174.4	-172.1	0	0	0	0	111.1	R889 E890	S884-R889 WeakPolarHBondContact OG-CA 3.35Å; S884-R889 PolarHBondContact OG-O 2.83Å; S884-E890 PolarHBondContact OG-N 3.12Å; S884-E890 VanDerWaalsContact OG-N 3.08Å
885	L	95.8	Very high	94.9	Very high	36 Å²	36	46.3 Å²	46.3	19%	0.188	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-93.7	169.4	-179.5	-57.9	-177	0	0	0	112.2	Q883 Y887 R889 A894 E898 M902 F927	Q883-L885 PolarHBondContact O-N 3.3Å; L885-Y887 PolarHBondContact O-N 2.82Å; L885-R889 WeakPolarHBondContact O-CA 3.2Å; L885-R889 PolarHBondContact O-N 2.8Å; L885-R889 VanDerWaalsContact O-N 3.08Å; L885-A894 HydrophobicContact CD1-CB 3.48Å; L885-A894 VanDerWaalsContact CD1-CB 3.48Å; L885-E898 VanDerWaalsContact CB-CD 3.42Å; L885-E898 HydrophobicContact CB-CG 4.33Å; L885-E898 WeakPolarHBondContact CB-OE1 3.42Å; L885-E898 HydrophobicContact CD1-CB 3.83Å; L885-E898 HydrophobicContact CD1-CG 4.35Å; L885-M902 HydrophobicContact CD1-CE 3.79Å; L885-M902 HydrophobicContact CD1-SD 4.11Å; L885-M902 HydrophobicContact CD2-SD 4.35Å; L885-F927 HydrophobicContact CD1-CE1 4.36Å; L885-F927 HydrophobicContact CD1-CZ 4.06Å; L885-F927 HydrophobicContact CD2-CZ 4.45Å; L885-F927 HydrophobicContact CG-CZ 4.39Å
886	K	95.2	Very high	95.3	Very high	101 Å²	101	44.7 Å²	44.7	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.9	-166.3	179	178.7	171.3	-163.9	0	113.6	P631 E632 R889 E898	P631-K886 WeakPolarHBondContact CG-O 3.44Å; E632-K886 IonicContact OE1-NZ 3.75Å; E632-K886 VanDerWaalsContact OE2-CE 3.23Å; E632-K886 WeakPolarHBondContact OE2-CE 3.38Å; E632-K886 IonicContact OE2-NZ 3.5Å; E632-K886 PolarHBondContact OE2-NZ 2.86Å; K886-R889 WeakPolarHBondContact O-CG 3.32Å; K886-R889 PolarHBondContact O-NE 2.73Å; K886-E898 PolarHBondContact N-OE1 2.63Å
887	Y	96.6	Very high	95.5	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.039	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-40.3	-169.7	-59.8	-86.4	0	0	0	112.5	R630 P631 E632 L885 Y897 E898 E901 F964	R630-Y887 PolarHBondContact NH1-O 2.83Å; P631-Y887 HydrophobicContact CG-CD1 4.08Å; P631-Y887 WeakPolarHBondContact O-CD1 3.47Å; E632-Y887 HydrophobicContact CB-CE1 4.16Å; L885-Y887 PolarHBondContact O-N 2.82Å; Y887-Y897 WeakPolarHBondContact CB-OH 3.46Å; Y887-Y897 HydrophobicContact CD1-CE2 4.38Å; Y887-Y897 HydrophobicContact CD2-CD2 4.35Å; Y887-Y897 AromaticContact CD2-CE2 3.75Å; Y887-Y897 HydrophobicContact CD2-CE2 3.75Å; Y887-Y897 AromaticContact CG-CE2 3.66Å; Y887-Y897 HydrophobicContact CG-CE2 3.66Å; Y887-E898 WeakPolarHBondContact CA-OE1 3.37Å; Y887-E898 WeakPolarHBondContact CB-OE1 3.47Å; Y887-E898 HydrophobicContact CD2-CG 3.95Å; Y887-E898 PolarHBondContact N-OE1 2.82Å; Y887-E901 VanDerWaalsContact CE2-OE2 3.22Å; Y887-E901 WeakPolarHBondContact CE2-OE2 3.14Å; Y887-F964 HydrophobicContact CD2-CE1 4.44Å; Y887-F964 HydrophobicContact CE1-CE1 4.3Å; Y887-F964 HydrophobicContact CE1-CZ 4.09Å; Y887-F964 AromaticContact CE2-CE1 3.69Å; Y887-F964 HydrophobicContact CE2-CE1 3.69Å; Y887-F964 HydrophobicContact CE2-CZ 4.22Å; Y887-F964 AromaticContact CZ-CE1 3.6Å; Y887-F964 AromaticContact CZ-CZ 3.87Å
888	T	94.6	Very high	95.7	Very high	12 Å²	12	41.3 Å²	41.3	7%	0.074	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-38.5	174.8	47.7	0	0	0	0	112.3	R630 E890 I893 E898	R630-T888 VanDerWaalsContact NH1-CA 3.31Å; T888-E890 PolarHBondContact O-N 3.45Å; T888-I893 HydrophobicContact CG2-CG2 4.31Å; T888-I893 PolarHBondContact OG1-O 3.12Å; T888-E898 VanDerWaalsContact CB-OE2 3.3Å; T888-E898 WeakPolarHBondContact CB-OE2 2.9Å; T888-E898 WeakPolarHBondContact CG2-OE2 3.27Å; T888-E898 PolarHBondContact N-OE1 3.19Å; T888-E898 PolarHBondContact OG1-OE1 3.42Å; T888-E898 PolarHBondContact OG1-OE2 2.81Å
889	R	94.4	Very high	95.8	Very high	170 Å²	170	41 Å²	41	64%	0.642	21%	0.209	S	C	*	.			trans	53.5	30.7	-179.3	-60.7	-175.1	175.9	-175.5	-3.4	113.5	S884 L885 K886	S884-R889 WeakPolarHBondContact OG-CA 3.35Å; S884-R889 PolarHBondContact OG-O 2.83Å; L885-R889 WeakPolarHBondContact O-CA 3.2Å; L885-R889 PolarHBondContact O-N 2.8Å; L885-R889 VanDerWaalsContact O-N 3.08Å; K886-R889 WeakPolarHBondContact O-CG 3.32Å; K886-R889 PolarHBondContact O-NE 2.73Å
890	E	92.3	Very high	95.9	Very high	111 Å²	111	37.3 Å²	37.3	52%	0.519	19%	0.19	S	C	.	.			trans	-129.8	128.4	178.1	-171.5	170.8	162.6	0	0	109.7	S884 T888 I893	S884-E890 PolarHBondContact OG-N 3.12Å; S884-E890 VanDerWaalsContact OG-N 3.08Å; T888-E890 PolarHBondContact O-N 3.45Å; E890-I893 HydrophobicContact CB-CB 4.37Å; E890-I893 HydrophobicContact CG-CD1 4.1Å; E890-I893 HydrophobicContact CG-CG1 4.26Å; E890-I893 PolarHBondContact O-N 3.16Å; E890-I893 VanDerWaalsContact OE1-CD1 3.23Å; E890-I893 WeakPolarHBondContact OE1-CD1 3.31Å
891	S	95.9	Very high	96	Very high	66 Å²	66	39.4 Å²	39.4	46%	0.462	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	133.9	-179.6	-61.2	0	0	0	0	110	S882	S882-S891 CarbonylContact O-C 3.59Å; S882-S891 WeakPolarHBondContact O-CA 3.3Å; S882-S891 WeakPolarHBondContact O-CB 3.29Å
892	G	96.6	Very high	95.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	4.6	-177.9	0	0	0	0	0	115.3	R862 G863 S882	R862-G892 CarbonylContact C-O 3.54Å; R862-G892 VanDerWaalsContact CA-O 3.31Å; R862-G892 WeakPolarHBondContact CA-O 3.45Å; G863-G892 PolarHBondContact N-O 3.43Å; G863-G892 WeakPolarHBondContact O-CA 3.41Å; S882-G892 PolarHBondContact O-N 3.41Å; S882-G892 VanDerWaalsContact OG-CA 3.31Å; S882-G892 WeakPolarHBondContact OG-CA 3.11Å; S882-G892 PolarHBondContact OG-N 3.16Å
893	I	97.2	Very high	95.7	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.9	175.5	-59.7	-168.4	0	0	0	109.8	Y860 G861 T888 E890	Y860-I893 HydrophobicContact CD2-CG2 4.2Å; G861-I893 WeakPolarHBondContact O-CA 3.48Å; T888-I893 HydrophobicContact CG2-CG2 4.31Å; T888-I893 PolarHBondContact OG1-O 3.12Å; E890-I893 HydrophobicContact CB-CB 4.37Å; E890-I893 HydrophobicContact CG-CD1 4.1Å; E890-I893 HydrophobicContact CG-CG1 4.26Å; E890-I893 PolarHBondContact O-N 3.16Å; E890-I893 VanDerWaalsContact OE1-CD1 3.23Å; E890-I893 WeakPolarHBondContact OE1-CD1 3.31Å
894	A	97.8	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133	168.7	0	0	0	0	0	109.7	Y860 G861 L885 M902 F927	Y860-A894 CarbonylContact C-O 3.58Å; Y860-A894 WeakPolarHBondContact CA-O 3.47Å; Y860-A894 VanDerWaalsContact CB-O 3.31Å; Y860-A894 WeakPolarHBondContact CB-O 3.45Å; G861-A894 PolarHBondContact N-O 3.29Å; G861-A894 PolarHBondContact O-N 2.76Å; L885-A894 HydrophobicContact CD1-CB 3.48Å; L885-A894 VanDerWaalsContact CD1-CB 3.48Å; A894-M902 HydrophobicContact CB-CE 4.01Å; A894-F927 HydrophobicContact CB-CD1 3.65Å; A894-F927 HydrophobicContact CB-CE1 3.59Å; A894-F927 HydrophobicContact CB-CG 4.46Å; A894-F927 HydrophobicContact CB-CZ 4.35Å
895	S	98.1	Very high	95.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	160.5	168.2	67.4	0	0	0	0	110.6	Y897 E898 C899 M957	S895-Y897 PolarHBondContact O-N 3.17Å; S895-Y897 WeakPolarHBondContact OG-CD1 3.49Å; S895-Y897 WeakPolarHBondContact OG-CD2 3.36Å; S895-Y897 WeakPolarHBondContact OG-CE1 3.46Å; S895-Y897 WeakPolarHBondContact OG-CE2 3.48Å; S895-Y897 VanDerWaalsContact OG-CG 3.24Å; S895-E898 PolarHBondContact N-OE2 2.82Å; S895-E898 PolarHBondContact O-N 3.4Å; S895-E898 VanDerWaalsContact O-N 3.13Å; S895-E898 WeakPolarHBondContact OG-CB 3.47Å; S895-E898 VanDerWaalsContact OG-CG 3.27Å; S895-E898 WeakPolarHBondContact OG-CG 2.95Å; S895-E898 PolarHBondContact OG-N 3.28Å; S895-E898 PolarHBondContact OG-OE2 3.48Å; S895-C899 PolarHBondContact O-N 3.26Å; S895-C899 PolarHBondContact O-SG 3.37Å; S895-M957 WeakPolarHBondContact CB-O 3.35Å
896	Y	97.6	Very high	95.4	Very high	3 Å²	3	40 Å²	40	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-38.6	174.5	177	-110.1	0	0	0	111.9	T859 E898 C899 C900 Y929 D930 N931 E932 M957 C965 K968 P975 L976	T859-Y896 WeakPolarHBondContact O-CB 3.32Å; T859-Y896 PolarHBondContact O-N 3.08Å; Y896-E898 PolarHBondContact O-N 3.44Å; Y896-C899 WeakPolarHBondContact O-CB 3.41Å; Y896-C899 PolarHBondContact O-N 3.11Å; Y896-C900 PolarHBondContact O-N 3.17Å; Y896-Y929 HydrophobicContact CD2-CD2 4.12Å; Y896-Y929 HydrophobicContact CD2-CE2 4.18Å; Y896-Y929 HydrophobicContact CE2-CD2 4.49Å; Y896-Y929 HydrophobicContact CE2-CE2 4.13Å; Y896-D930 VanDerWaalsContact CD2-O 3.31Å; Y896-D930 WeakPolarHBondContact CD2-O 3.31Å; Y896-N931 HydrophobicContact CE2-CB 3.98Å; Y896-E932 PolarHBondContact OH-OE1 2.9Å; Y896-M957 WeakPolarHBondContact CB-O 3.3Å; Y896-M957 PolarHBondContact N-O 2.04Å; Y896-C965 VanDerWaalsContact CE1-SG 3.53Å; Y896-K968 PolarHBondContact OH-NZ 3.23Å; Y896-K968 VanDerWaalsContact OH-NZ 3.16Å; Y896-P975 HydrophobicContact CD1-CG 4.12Å; Y896-P975 HydrophobicContact CE1-CB 4.37Å; Y896-P975 HydrophobicContact CE1-CG 3.53Å; Y896-L976 HydrophobicContact CD1-CD1 3.84Å; Y896-L976 HydrophobicContact CD1-CD2 4.44Å; Y896-L976 HydrophobicContact CD1-CG 3.8Å; Y896-L976 HydrophobicContact CD2-CD1 3.61Å; Y896-L976 HydrophobicContact CD2-CD2 4.34Å; Y896-L976 HydrophobicContact CD2-CG 4.18Å; Y896-L976 HydrophobicContact CE1-CD1 4.34Å; Y896-L976 HydrophobicContact CE1-CD2 4.12Å; Y896-L976 HydrophobicContact CE1-CG 3.92Å; Y896-L976 HydrophobicContact CE2-CD1 4.13Å; Y896-L976 HydrophobicContact CE2-CD2 4Å; Y896-L976 HydrophobicContact CE2-CG 4.28Å; Y896-L976 HydrophobicContact CG-CD1 3.43Å; Y896-L976 VanDerWaalsContact CG-CD1 3.43Å; Y896-L976 HydrophobicContact CG-CG 3.93Å
897	Y	95.6	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-31.6	177.1	64.5	-101.9	0	0	0	113.2	R630 Y887 S895 C900 E901 D956 M957 D958 F960 F964	R630-Y897 WeakPolarHBondContact CD-OH 3.31Å; Y887-Y897 WeakPolarHBondContact CB-OH 3.46Å; Y887-Y897 HydrophobicContact CD1-CE2 4.38Å; Y887-Y897 HydrophobicContact CD2-CD2 4.35Å; Y887-Y897 AromaticContact CD2-CE2 3.75Å; Y887-Y897 HydrophobicContact CD2-CE2 3.75Å; Y887-Y897 AromaticContact CG-CE2 3.66Å; Y887-Y897 HydrophobicContact CG-CE2 3.66Å; S895-Y897 PolarHBondContact O-N 3.17Å; S895-Y897 WeakPolarHBondContact OG-CD1 3.49Å; S895-Y897 WeakPolarHBondContact OG-CD2 3.36Å; S895-Y897 WeakPolarHBondContact OG-CE1 3.46Å; S895-Y897 WeakPolarHBondContact OG-CE2 3.48Å; S895-Y897 VanDerWaalsContact OG-CG 3.24Å; Y897-C900 WeakPolarHBondContact O-CB 3.33Å; Y897-C900 PolarHBondContact O-N 3.02Å; Y897-E901 PolarHBondContact O-N 2.74Å; Y897-D956 VanDerWaalsContact CE1-O 3.27Å; Y897-D956 WeakPolarHBondContact CE1-O 3.31Å; Y897-M957 WeakPolarHBondContact CD1-O 3.44Å; Y897-D958 WeakPolarHBondContact CD1-O 3.35Å; Y897-F960 HydrophobicContact CE1-CE1 4.47Å; Y897-F964 HydrophobicContact CD2-CD1 4.12Å; Y897-F964 HydrophobicContact CD2-CD2 4.11Å; Y897-F964 AromaticContact CD2-CE1 3.99Å; Y897-F964 HydrophobicContact CD2-CE1 3.99Å; Y897-F964 AromaticContact CD2-CE2 3.99Å; Y897-F964 HydrophobicContact CD2-CE2 3.99Å; Y897-F964 HydrophobicContact CD2-CG 4.16Å; Y897-F964 AromaticContact CD2-CZ 3.9Å; Y897-F964 HydrophobicContact CD2-CZ 3.9Å; Y897-F964 HydrophobicContact CE2-CZ 4.26Å; Y897-F964 HydrophobicContact CG-CD2 4.01Å; Y897-F964 HydrophobicContact CG-CE2 4.19Å; Y897-F964 HydrophobicContact CG-CG 4.24Å
898	E	96.6	Very high	95.3	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-35.6	170.7	-77.3	175.6	146.1	0	0	111.4	L885 K886 Y887 T888 S895 Y896 C900 E901 M902	L885-E898 VanDerWaalsContact CB-CD 3.42Å; L885-E898 HydrophobicContact CB-CG 4.33Å; L885-E898 WeakPolarHBondContact CB-OE1 3.42Å; L885-E898 HydrophobicContact CD1-CB 3.83Å; L885-E898 HydrophobicContact CD1-CG 4.35Å; K886-E898 PolarHBondContact N-OE1 2.63Å; Y887-E898 WeakPolarHBondContact CA-OE1 3.37Å; Y887-E898 WeakPolarHBondContact CB-OE1 3.47Å; Y887-E898 HydrophobicContact CD2-CG 3.95Å; Y887-E898 PolarHBondContact N-OE1 2.82Å; T888-E898 VanDerWaalsContact CB-OE2 3.3Å; T888-E898 WeakPolarHBondContact CB-OE2 2.9Å; T888-E898 WeakPolarHBondContact CG2-OE2 3.27Å; T888-E898 PolarHBondContact N-OE1 3.19Å; T888-E898 PolarHBondContact OG1-OE1 3.42Å; T888-E898 PolarHBondContact OG1-OE2 2.81Å; S895-E898 PolarHBondContact N-OE2 2.82Å; S895-E898 PolarHBondContact O-N 3.4Å; S895-E898 VanDerWaalsContact O-N 3.13Å; S895-E898 WeakPolarHBondContact OG-CB 3.47Å; S895-E898 VanDerWaalsContact OG-CG 3.27Å; S895-E898 WeakPolarHBondContact OG-CG 2.95Å; S895-E898 PolarHBondContact OG-N 3.28Å; S895-E898 PolarHBondContact OG-OE2 3.48Å; Y896-E898 PolarHBondContact O-N 3.44Å; E898-C900 VanDerWaalsContact C-N 3.33Å; E898-E901 PolarHBondContact O-N 3.4Å; E898-M902 WeakPolarHBondContact O-CG 3.41Å; E898-M902 PolarHBondContact O-N 3.2Å
899	C	96.2	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-43.1	169.5	-67.5	0	0	0	0	111.4	S895 Y896 E901 M902 L903 L920 Y929	S895-C899 PolarHBondContact O-N 3.26Å; S895-C899 PolarHBondContact O-SG 3.37Å; Y896-C899 WeakPolarHBondContact O-CB 3.41Å; Y896-C899 PolarHBondContact O-N 3.11Å; C899-E901 PolarHBondContact O-N 3.45Å; C899-M902 HydrophobicContact CB-CE 4.45Å; C899-M902 PolarHBondContact O-N 3.27Å; C899-L903 VanDerWaalsContact O-CG 3.28Å; C899-L903 WeakPolarHBondContact O-CG 3.23Å; C899-L903 PolarHBondContact O-N 3.45Å; C899-L920 HydrophobicContact CB-CD2 3.68Å; C899-Y929 HydrophobicContact CB-CD2 3.95Å; C899-Y929 HydrophobicContact CB-CE2 3.99Å; C899-Y929 HydrophobicContact CB-CG 4.48Å
900	C	94.6	Very high	95.5	Very high	10 Å²	10	37.8 Å²	37.8	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-44.4	174.3	-75.9	0	0	0	0	112.6	Y896 Y897 E898 L903 A904 C965	Y896-C900 PolarHBondContact O-N 3.17Å; Y897-C900 WeakPolarHBondContact O-CB 3.33Å; Y897-C900 PolarHBondContact O-N 3.02Å; E898-C900 VanDerWaalsContact C-N 3.33Å; C900-L903 PolarHBondContact O-N 2.81Å; C900-A904 WeakPolarHBondContact O-CB 3.47Å; C900-A904 PolarHBondContact O-N 2.03Å; C900-C965 HydrophobicContact CB-CB 3.85Å; C900-C965 WeakPolarHBondContact CB-SG 3.25Å; C900-C965 WeakPolarHBondContact SG-CB 3.38Å; C900-C965 CovalentContact SG-SG 2.04Å; C900-C965 PolarHBondContact SG-SG 3.14Å
901	E	93.8	Very high	95.6	Very high	54 Å²	54	35.9 Å²	35.9	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-63.6	-40.2	174.9	-72.8	-173.2	124.2	0	0	112.3	Y887 Y897 E898 C899 L903 A904 N905 F964	Y887-E901 VanDerWaalsContact CE2-OE2 3.22Å; Y887-E901 WeakPolarHBondContact CE2-OE2 3.14Å; Y897-E901 PolarHBondContact O-N 2.74Å; E898-E901 PolarHBondContact O-N 3.4Å; C899-E901 PolarHBondContact O-N 3.45Å; E901-L903 VanDerWaalsContact C-N 3.34Å; E901-L903 PolarHBondContact O-N 2.86Å; E901-A904 PolarHBondContact O-N 2.96Å; E901-N905 WeakPolarHBondContact O-CB 3.17Å; E901-N905 PolarHBondContact O-N 3.19Å; E901-N905 PolarHBondContact O-ND2 3.05Å; E901-F964 HydrophobicContact CG-CD1 3.75Å; E901-F964 HydrophobicContact CG-CE1 4.47Å
902	M	95	Very high	95.3	Very high	19 Å²	19	34 Å²	34	9%	0.094	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-44.1	176.3	-75.5	-171	-71.9	0	0	111.4	L885 A894 E898 C899 N905 G906 A907 L920 F927	L885-M902 HydrophobicContact CD1-CE 3.79Å; L885-M902 HydrophobicContact CD1-SD 4.11Å; L885-M902 HydrophobicContact CD2-SD 4.35Å; A894-M902 HydrophobicContact CB-CE 4.01Å; E898-M902 WeakPolarHBondContact O-CG 3.41Å; E898-M902 PolarHBondContact O-N 3.2Å; C899-M902 HydrophobicContact CB-CE 4.45Å; C899-M902 PolarHBondContact O-N 3.27Å; M902-N905 CarbonylContact O-C 3.57Å; M902-N905 VanDerWaalsContact O-C 3.24Å; M902-N905 WeakPolarHBondContact O-CA 3.47Å; M902-N905 PolarHBondContact O-N 3.01Å; M902-N905 VanDerWaalsContact O-N 3.15Å; M902-G906 PolarHBondContact O-N 2.92Å; M902-A907 VanDerWaalsContact C-CB 3.49Å; M902-A907 HydrophobicContact CB-CB 3.98Å; M902-A907 WeakPolarHBondContact O-CB 3.2Å; M902-A907 PolarHBondContact O-N 3.16Å; M902-L920 HydrophobicContact CE-CD1 3.86Å; M902-L920 HydrophobicContact CE-CD2 4.15Å; M902-L920 HydrophobicContact SD-CD1 4.1Å; M902-F927 HydrophobicContact CE-CD2 3.95Å; M902-F927 HydrophobicContact CE-CE2 3.93Å; M902-F927 HydrophobicContact CE-CG 4.34Å; M902-F927 HydrophobicContact CE-CZ 4.32Å; M902-F927 HydrophobicContact SD-CD2 4.14Å; M902-F927 HydrophobicContact SD-CE2 3.75Å; M902-F927 HydrophobicContact SD-CZ 4.37Å
903	L	94.5	Very high	94.9	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-45	176.2	-68.4	169.7	0	0	0	111.8	C899 C900 E901 N905 G906 A907 Q909 L920	C899-L903 VanDerWaalsContact O-CG 3.28Å; C899-L903 WeakPolarHBondContact O-CG 3.23Å; C899-L903 PolarHBondContact O-N 3.45Å; C900-L903 PolarHBondContact O-N 2.81Å; E901-L903 VanDerWaalsContact C-N 3.34Å; E901-L903 PolarHBondContact O-N 2.86Å; L903-N905 PolarHBondContact O-N 3.41Å; L903-G906 PolarHBondContact O-N 2.96Å; L903-G906 VanDerWaalsContact O-N 3.12Å; L903-A907 HydrophobicContact CD2-CB 4.31Å; L903-Q909 HydrophobicContact CD2-CB 3.73Å; L903-Q909 HydrophobicContact CD2-CG 4.39Å; L903-L920 HydrophobicContact CD2-CB 4.36Å; L903-L920 HydrophobicContact CG-CD2 4.35Å
904	A	92.5	Very high	94.3	Very high	55 Å²	55	41.4 Å²	41.4	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-28.7	174.5	0	0	0	0	0	112.3	C900 E901	C900-A904 WeakPolarHBondContact O-CB 3.47Å; C900-A904 PolarHBondContact O-N 2.03Å; E901-A904 PolarHBondContact O-N 2.96Å
905	N	93.3	Very high	93.8	Very high	105 Å²	105	41.5 Å²	41.5	56%	0.561	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	29.1	177.1	-66.5	-58	0	0	0	113.4	E901 M902 L903 K922	E901-N905 WeakPolarHBondContact O-CB 3.17Å; E901-N905 PolarHBondContact O-N 3.19Å; E901-N905 PolarHBondContact O-ND2 3.05Å; M902-N905 CarbonylContact O-C 3.57Å; M902-N905 VanDerWaalsContact O-C 3.24Å; M902-N905 WeakPolarHBondContact O-CA 3.47Å; M902-N905 PolarHBondContact O-N 3.01Å; M902-N905 VanDerWaalsContact O-N 3.15Å; L903-N905 PolarHBondContact O-N 3.41Å; N905-K922 VanDerWaalsContact O-CE 3.31Å; N905-K922 WeakPolarHBondContact O-CE 3.44Å; N905-K922 PolarHBondContact O-NZ 2.88Å
906	G	94.2	Very high	93.6	Very high	60 Å²	60	44.9 Å²	44.9	62%	0.619	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	13.8	167.6	0	0	0	0	0	116.7	M902 L903	M902-G906 PolarHBondContact O-N 2.92Å; L903-G906 PolarHBondContact O-N 2.96Å; L903-G906 VanDerWaalsContact O-N 3.12Å
907	A	95.6	Very high	93.6	Very high	11 Å²	11	44.9 Å²	44.9	9%	0.091	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65.4	142.2	167.4	0	0	0	0	0	110.8	M902 L903 L920 K922	M902-A907 VanDerWaalsContact C-CB 3.49Å; M902-A907 HydrophobicContact CB-CB 3.98Å; M902-A907 WeakPolarHBondContact O-CB 3.2Å; M902-A907 PolarHBondContact O-N 3.16Å; L903-A907 HydrophobicContact CD2-CB 4.31Å; A907-L920 HydrophobicContact CB-CD1 4.32Å; A907-K922 HydrophobicContact CB-CB 3.84Å; A907-K922 HydrophobicContact CB-CD 4.31Å; A907-K922 HydrophobicContact CB-CG 4.36Å
908	E	95.3	Very high	93.7	Very high	87 Å²	87	44.9 Å²	44.9	41%	0.407	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.3	176.8	-63.8	172.7	-117.5	0	0	109.7	K872 Y910 L920 V921	K872-E908 IonicContact NZ-OE1 3.3Å; K872-E908 PolarHBondContact NZ-OE1 3.32Å; K872-E908 IonicContact NZ-OE2 3.01Å; E908-Y910 HydrophobicContact CB-CD2 4.43Å; E908-Y910 HydrophobicContact CB-CE2 3.62Å; E908-Y910 PolarHBondContact OE2-OH 3.28Å; E908-L920 CarbonylContact O-C 3.51Å; E908-L920 VanDerWaalsContact O-CA 3.22Å; E908-L920 WeakPolarHBondContact O-CA 3.36Å; E908-V921 PolarHBondContact N-O 2.68Å; E908-V921 PolarHBondContact O-N 3.05Å
909	Q	95.8	Very high	93.7	Very high	78 Å²	78	45.7 Å²	45.7	36%	0.364	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.5	173	-161.9	-174.1	-72.8	0	0	110.6	L903 P918 Y929	L903-Q909 HydrophobicContact CD2-CB 3.73Å; L903-Q909 HydrophobicContact CD2-CG 4.39Å; Q909-P918 HydrophobicContact CG-CB 4.35Å; Q909-Y929 WeakPolarHBondContact CG-OH 3.19Å; Q909-Y929 PolarHBondContact OE1-OH 2.79Å
910	Y	96.6	Very high	93.7	Very high	69 Å²	69	45.7 Å²	45.7	27%	0.271	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.2	174.6	-62.9	-95.5	0	0	0	109.6	E908 P918 Y919 V921	E908-Y910 HydrophobicContact CB-CD2 4.43Å; E908-Y910 HydrophobicContact CB-CE2 3.62Å; E908-Y910 PolarHBondContact OE2-OH 3.28Å; Y910-P918 CarbonylContact O-C 3.42Å; Y910-P918 VanDerWaalsContact O-CA 3.26Å; Y910-P918 WeakPolarHBondContact O-CA 3.42Å; Y910-Y919 VanDerWaalsContact CB-CE1 3.41Å; Y910-Y919 VanDerWaalsContact CB-CE2 3.42Å; Y910-Y919 WeakPolarHBondContact CB-OH 3.48Å; Y910-Y919 HydrophobicContact CD1-CE2 4.4Å; Y910-Y919 HydrophobicContact CD2-CD2 4.03Å; Y910-Y919 AromaticContact CD2-CE2 3.52Å; Y910-Y919 HydrophobicContact CD2-CE2 3.52Å; Y910-Y919 HydrophobicContact CE2-CE2 4.4Å; Y910-Y919 HydrophobicContact CG-CD2 4.26Å; Y910-Y919 HydrophobicContact CG-CE1 4.34Å; Y910-Y919 AromaticContact CG-CE2 3.53Å; Y910-Y919 HydrophobicContact CG-CE2 3.53Å; Y910-Y919 AromaticContact CG-CZ 3.58Å; Y910-Y919 PolarHBondContact N-O 2.7Å; Y910-Y919 PolarHBondContact O-N 3.4Å; Y910-V921 HydrophobicContact CD2-CG2 4.19Å; Y910-V921 HydrophobicContact CE2-CB 4.3Å; Y910-V921 HydrophobicContact CE2-CG2 4.02Å
911	W	95.8	Very high	93.8	Very high	71 Å²	71	45.3 Å²	45.3	27%	0.269	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.7	177.3	179.9	-106.9	0	0	0	110.6	R916 P918 E933 H937	W911-R916 VanDerWaalsContact CH2-C 3.43Å; W911-R916 WeakPolarHBondContact CH2-O 3.44Å; W911-R916 HydrophobicContact CZ2-CB 4.23Å; W911-P918 HydrophobicContact CE3-CB 4.15Å; W911-P918 HydrophobicContact CZ3-CB 4.45Å; W911-E933 HydrophobicContact CH2-CB 4.11Å; W911-E933 HydrophobicContact CH2-CG 3.65Å; W911-E933 HydrophobicContact CZ2-CG 4.06Å; W911-E933 HydrophobicContact CZ3-CB 4.04Å; W911-E933 HydrophobicContact CZ3-CG 3.96Å; W911-H937 AromaticContact CH2-CD2 3.81Å; W911-H937 AromaticContact CZ2-CD2 3.62Å; W911-H937 AromaticContact CZ2-NE2 3.86Å
912	N	89.8	Confident	93.9	Very high	27 Å²	27	46 Å²	46	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.7	172	-177.5	-71.5	0	0	0	109.9	L874 E914 T915 R916 T917	L874-N912 HydrophobicContact CD2-CB 4.46Å; N912-E914 VanDerWaalsContact C-N 3.29Å; N912-E914 PolarHBondContact O-N 2.85Å; N912-E914 PolarHBondContact OD1-N 2.82Å; N912-T915 WeakPolarHBondContact CB-OG1 3.3Å; N912-T915 PolarHBondContact O-OG1 3.16Å; N912-T915 WeakPolarHBondContact OD1-CB 3.1Å; N912-T915 WeakPolarHBondContact OD1-CG2 3.44Å; N912-T915 PolarHBondContact OD1-N 3.19Å; N912-T915 PolarHBondContact OD1-OG1 2.98Å; N912-R916 WeakPolarHBondContact O-CA 3.37Å; N912-R916 PolarHBondContact O-N 2.72Å; N912-T917 PolarHBondContact N-O 3.31Å; N912-T917 PolarHBondContact O-N 3.18Å
913	N	87.8	Confident	93.9	Very high	97 Å²	97	50.9 Å²	50.9	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24	-174	-171.9	63.9	0	0	0	114	R916	N913-R916 WeakPolarHBondContact O-CD 3.23Å; N913-R916 VanDerWaalsContact O-CZ 3.22Å; N913-R916 PolarHBondContact O-NE 3.11Å; N913-R916 VanDerWaalsContact O-NE 3.09Å; N913-R916 PolarHBondContact OD1-NH1 3.06Å
914	E	83.9	Confident	93.9	Very high	72 Å²	72	51.1 Å²	51.1	34%	0.336	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-51.9	178.3	-65.4	-179.5	-173.9	0	0	110.8	Q824 L825 N912 R916	Q824-E914 WeakPolarHBondContact CA-OE2 3.34Å; L825-E914 PolarHBondContact N-OE2 2.97Å; N912-E914 VanDerWaalsContact C-N 3.29Å; N912-E914 PolarHBondContact O-N 2.85Å; N912-E914 PolarHBondContact OD1-N 2.82Å; E914-R916 VanDerWaalsContact C-N 3.3Å; E914-R916 PolarHBondContact O-N 3.03Å
915	T	88.3	Confident	94.2	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.8	179.7	61.7	0	0	0	0	113.9	P820 L821 F822 Q824 N912 T917	P820-T915 HydrophobicContact CB-CG2 3.92Å; L821-T915 PolarHBondContact N-O 3.11Å; F822-T915 WeakPolarHBondContact O-CA 3.47Å; Q824-T915 HydrophobicContact CG-CG2 3.66Å; N912-T915 WeakPolarHBondContact CB-OG1 3.3Å; N912-T915 PolarHBondContact O-OG1 3.16Å; N912-T915 WeakPolarHBondContact OD1-CB 3.1Å; N912-T915 WeakPolarHBondContact OD1-CG2 3.44Å; N912-T915 PolarHBondContact OD1-N 3.19Å; N912-T915 PolarHBondContact OD1-OG1 2.98Å; T915-T917 VanDerWaalsContact C-N 3.33Å; T915-T917 PolarHBondContact OG1-N 3.14Å; T915-T917 PolarHBondContact OG1-OG1 3.22Å
916	R	94.1	Very high	94.4	Very high	72 Å²	72	44.5 Å²	44.5	27%	0.272	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	43.2	-171.6	-53.7	-68.2	178.4	-175.1	-10.8	112.4	L821 F822 W911 N912 N913 E914 S934 H937	L821-R916 HydrophobicContact CB-CB 4.22Å; L821-R916 HydrophobicContact CD2-CB 4.14Å; L821-R916 HydrophobicContact CD2-CG 4.12Å; F822-R916 HydrophobicContact CD2-CG 4.16Å; F822-R916 HydrophobicContact CE2-CG 4.41Å; W911-R916 VanDerWaalsContact CH2-C 3.43Å; W911-R916 WeakPolarHBondContact CH2-O 3.44Å; W911-R916 HydrophobicContact CZ2-CB 4.23Å; N912-R916 WeakPolarHBondContact O-CA 3.37Å; N912-R916 PolarHBondContact O-N 2.72Å; N913-R916 WeakPolarHBondContact O-CD 3.23Å; N913-R916 VanDerWaalsContact O-CZ 3.22Å; N913-R916 PolarHBondContact O-NE 3.11Å; N913-R916 VanDerWaalsContact O-NE 3.09Å; N913-R916 PolarHBondContact OD1-NH1 3.06Å; E914-R916 VanDerWaalsContact C-N 3.3Å; E914-R916 PolarHBondContact O-N 3.03Å; R916-S934 WeakPolarHBondContact O-CB 3.3Å; R916-H937 HydrophobicContact CB-CB 4.32Å
917	T	95.9	Very high	94.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.2	180	62.8	0	0	0	0	112	T817 S819 N912 T915	T817-T917 HydrophobicContact CG2-CG2 3.79Å; T817-T917 WeakPolarHBondContact CG2-OG1 3.35Å; S819-T917 VanDerWaalsContact O-CG2 3.26Å; S819-T917 WeakPolarHBondContact O-CG2 3.4Å; N912-T917 PolarHBondContact N-O 3.31Å; N912-T917 PolarHBondContact O-N 3.18Å; T915-T917 VanDerWaalsContact C-N 3.33Å; T915-T917 PolarHBondContact OG1-N 3.14Å; T915-T917 PolarHBondContact OG1-OG1 3.22Å
918	P	97.5	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	159.7	167.7	37.7	-37.5	0	0	0	111.7	Q909 Y910 W911 Y929 N931	Q909-P918 HydrophobicContact CG-CB 4.35Å; Y910-P918 CarbonylContact O-C 3.42Å; Y910-P918 VanDerWaalsContact O-CA 3.26Å; Y910-P918 WeakPolarHBondContact O-CA 3.42Å; W911-P918 HydrophobicContact CE3-CB 4.15Å; W911-P918 HydrophobicContact CZ3-CB 4.45Å; P918-Y929 HydrophobicContact CB-CD1 4.38Å; P918-Y929 HydrophobicContact CB-CE1 3.71Å; P918-Y929 VanDerWaalsContact CD-O 3.24Å; P918-Y929 WeakPolarHBondContact CD-O 3.41Å; P918-Y929 HydrophobicContact CG-CD1 4Å; P918-Y929 HydrophobicContact CG-CD2 4.38Å; P918-Y929 HydrophobicContact CG-CE1 3.7Å; P918-Y929 HydrophobicContact CG-CE2 4.14Å; P918-Y929 HydrophobicContact CG-CG 4.31Å; P918-Y929 WeakPolarHBondContact CG-O 3.03Å; P918-N931 HydrophobicContact CG-CB 4.02Å
919	Y	97.5	Very high	94.8	Very high	22 Å²	22	37.1 Å²	37.1	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.8	156.8	64.1	-86.9	0	0	0	108.8	K872 Y910 V921 W926 F927	K872-Y919 VanDerWaalsContact O-CE2 3.32Å; K872-Y919 WeakPolarHBondContact O-CE2 3.3Å; Y910-Y919 VanDerWaalsContact CB-CE1 3.41Å; Y910-Y919 VanDerWaalsContact CB-CE2 3.42Å; Y910-Y919 WeakPolarHBondContact CB-OH 3.48Å; Y910-Y919 HydrophobicContact CD1-CE2 4.4Å; Y910-Y919 HydrophobicContact CD2-CD2 4.03Å; Y910-Y919 AromaticContact CD2-CE2 3.52Å; Y910-Y919 HydrophobicContact CD2-CE2 3.52Å; Y910-Y919 HydrophobicContact CE2-CE2 4.4Å; Y910-Y919 HydrophobicContact CG-CD2 4.26Å; Y910-Y919 HydrophobicContact CG-CE1 4.34Å; Y910-Y919 AromaticContact CG-CE2 3.53Å; Y910-Y919 HydrophobicContact CG-CE2 3.53Å; Y910-Y919 AromaticContact CG-CZ 3.58Å; Y910-Y919 PolarHBondContact N-O 2.7Å; Y910-Y919 PolarHBondContact O-N 3.4Å; Y919-V921 HydrophobicContact CD2-CG2 4.03Å; Y919-V921 HydrophobicContact CE2-CG2 4.13Å; Y919-W926 VanDerWaalsContact CB-CZ2 3.47Å; Y919-W926 HydrophobicContact CD1-CZ2 4.12Å; Y919-W926 AromaticContact CD2-CE2 3.48Å; Y919-W926 VanDerWaalsContact CD2-CE2 3.48Å; Y919-W926 AromaticContact CD2-CZ2 3.5Å; Y919-W926 HydrophobicContact CD2-CZ2 3.5Å; Y919-W926 AromaticContact CD2-NE1 3.3Å; Y919-W926 VanDerWaalsContact CD2-NE1 3.3Å; Y919-W926 HydrophobicContact CE2-CZ2 4.21Å; Y919-W926 AromaticContact CE2-NE1 3.59Å; Y919-W926 AromaticContact CG-CE2 3.91Å; Y919-W926 HydrophobicContact CG-CH2 4.18Å; Y919-W926 AromaticContact CG-CZ2 3.44Å; Y919-W926 HydrophobicContact CG-CZ2 3.44Å; Y919-W926 VanDerWaalsContact CG-CZ2 3.44Å; Y919-F927 CarbonylContact C-O 3.45Å; Y919-F927 WeakPolarHBondContact CA-O 3.48Å; Y919-F927 VanDerWaalsContact CB-O 3.28Å; Y919-F927 WeakPolarHBondContact CB-O 3.25Å
920	L	96.9	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.1	176	66.4	81.9	0	0	0	111.1	C899 M902 L903 A907 E908 W926 F927 Y929	C899-L920 HydrophobicContact CB-CD2 3.68Å; M902-L920 HydrophobicContact CE-CD1 3.86Å; M902-L920 HydrophobicContact CE-CD2 4.15Å; M902-L920 HydrophobicContact SD-CD1 4.1Å; L903-L920 HydrophobicContact CD2-CB 4.36Å; L903-L920 HydrophobicContact CG-CD2 4.35Å; A907-L920 HydrophobicContact CB-CD1 4.32Å; E908-L920 CarbonylContact O-C 3.51Å; E908-L920 VanDerWaalsContact O-CA 3.22Å; E908-L920 WeakPolarHBondContact O-CA 3.36Å; L920-W926 WeakPolarHBondContact O-CA 3.37Å; L920-F927 HydrophobicContact CD1-CB 4Å; L920-F927 HydrophobicContact CD1-CD2 3.74Å; L920-F927 HydrophobicContact CD1-CG 4.27Å; L920-F927 HydrophobicContact CG-CB 4.08Å; L920-F927 PolarHBondContact N-O 3.15Å; L920-F927 PolarHBondContact O-N 2.89Å; L920-Y929 HydrophobicContact CB-CE1 4.11Å; L920-Y929 HydrophobicContact CD2-CD1 4.17Å; L920-Y929 HydrophobicContact CD2-CE1 3.78Å; L920-Y929 HydrophobicContact CG-CD1 4.37Å; L920-Y929 HydrophobicContact CG-CE1 4.08Å
921	V	97	Very high	94.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.4	179.3	-169.7	0	0	0	0	109.9	L866 K872 E908 Y910 Y919 Q925 W926	L866-V921 HydrophobicContact CD1-CG1 4.1Å; K872-V921 HydrophobicContact CB-CG1 4.42Å; K872-V921 HydrophobicContact CB-CG2 4.21Å; K872-V921 HydrophobicContact CD-CB 4.46Å; K872-V921 HydrophobicContact CD-CG1 4.06Å; K872-V921 HydrophobicContact CG-CG1 4.05Å; E908-V921 PolarHBondContact N-O 2.68Å; E908-V921 PolarHBondContact O-N 3.05Å; Y910-V921 HydrophobicContact CD2-CG2 4.19Å; Y910-V921 HydrophobicContact CE2-CB 4.3Å; Y910-V921 HydrophobicContact CE2-CG2 4.02Å; Y919-V921 HydrophobicContact CD2-CG2 4.03Å; Y919-V921 HydrophobicContact CE2-CG2 4.13Å; V921-Q925 CarbonylContact C-O 3.58Å; V921-Q925 VanDerWaalsContact CA-O 3.31Å; V921-Q925 WeakPolarHBondContact CA-O 3.46Å; V921-W926 HydrophobicContact CG2-CG 4.14Å
922	K	94.9	Very high	94.9	Very high	68 Å²	68	29.9 Å²	29.9	30%	0.296	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	115.4	170.4	-169.8	176.1	178.3	173.6	0	108.7	N905 A907 D924 Q925	N905-K922 VanDerWaalsContact O-CE 3.31Å; N905-K922 WeakPolarHBondContact O-CE 3.44Å; N905-K922 PolarHBondContact O-NZ 2.88Å; A907-K922 HydrophobicContact CB-CB 3.84Å; A907-K922 HydrophobicContact CB-CD 4.31Å; A907-K922 HydrophobicContact CB-CG 4.36Å; K922-D924 PolarHBondContact O-N 3.34Å; K922-Q925 PolarHBondContact N-O 2.79Å; K922-Q925 WeakPolarHBondContact O-CA 3.11Å; K922-Q925 VanDerWaalsContact O-CB 3.27Å; K922-Q925 WeakPolarHBondContact O-CB 3.48Å; K922-Q925 PolarHBondContact O-N 2.73Å
923	D	94.3	Very high	95.1	Very high	123 Å²	123	32.9 Å²	32.9	66%	0.658	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	-115.9	-172.6	-53.8	-51.2	0	0	0	111.7
924	D	95.7	Very high	95.6	Very high	51 Å²	51	28.2 Å²	28.2	27%	0.273	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.3	174.4	70.4	-18.2	0	0	0	113.2	R865 L866 A869 K922	R865-D924 CarbonylContact C-O 3.45Å; R865-D924 WeakPolarHBondContact CA-O 3.5Å; R865-D924 VanDerWaalsContact CD-OD2 3.28Å; R865-D924 WeakPolarHBondContact CD-OD2 3.28Å; R865-D924 HydrophobicContact CG-CB 4.35Å; R865-D924 WeakPolarHBondContact CG-OD2 3.27Å; L866-D924 PolarHBondContact N-O 2.78Å; A869-D924 HydrophobicContact CB-CB 4.44Å; K922-D924 PolarHBondContact O-N 3.34Å
925	Q	97.4	Very high	96.2	Very high	21 Å²	21	24.8 Å²	24.8	10%	0.098	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.5	178.6	-52.4	-58.4	-59.2	0	0	110.1	S882 V921 K922 F927	S882-Q925 VanDerWaalsContact CA-OE1 3.23Å; V921-Q925 CarbonylContact C-O 3.58Å; V921-Q925 VanDerWaalsContact CA-O 3.31Å; V921-Q925 WeakPolarHBondContact CA-O 3.46Å; K922-Q925 PolarHBondContact N-O 2.79Å; K922-Q925 WeakPolarHBondContact O-CA 3.11Å; K922-Q925 VanDerWaalsContact O-CB 3.27Å; K922-Q925 WeakPolarHBondContact O-CB 3.48Å; K922-Q925 PolarHBondContact O-N 2.73Å; Q925-F927 HydrophobicContact CB-CE2 3.95Å
926	W	97.7	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.5	-179	-170	106.7	0	0	0	109.4	T815 G816 G863 W864 L866 K872 L874 Y919 L920 V921 S928	T815-W926 HydrophobicContact CG2-CB 4.14Å; T815-W926 HydrophobicContact CG2-CD2 3.57Å; T815-W926 HydrophobicContact CG2-CE3 3.73Å; T815-W926 HydrophobicContact CG2-CG 3.74Å; T815-W926 HydrophobicContact CG2-CZ3 4.36Å; G816-W926 WeakPolarHBondContact O-CZ3 3.01Å; G863-W926 CarbonylContact C-O 3.46Å; G863-W926 WeakPolarHBondContact CA-O 3.47Å; W864-W926 AromaticContact CE3-CE3 3.57Å; W864-W926 HydrophobicContact CE3-CE3 3.57Å; W864-W926 AromaticContact CE3-CZ3 3.76Å; W864-W926 HydrophobicContact CE3-CZ3 3.76Å; W864-W926 HydrophobicContact CH2-CZ3 4.5Å; W864-W926 AromaticContact CZ3-CE3 3.87Å; W864-W926 HydrophobicContact CZ3-CE3 3.87Å; W864-W926 AromaticContact CZ3-CZ3 3.54Å; W864-W926 HydrophobicContact CZ3-CZ3 3.54Å; W864-W926 PolarHBondContact N-O 2.7Å; W864-W926 PolarHBondContact O-N 3.17Å; L866-W926 HydrophobicContact CD1-CB 4.19Å; L866-W926 HydrophobicContact CD2-CB 3.85Å; L866-W926 HydrophobicContact CD2-CG 4.09Å; L866-W926 HydrophobicContact CG-CB 3.85Å; K872-W926 PolarHBondContact O-NE1 2.87Å; L874-W926 HydrophobicContact CD1-CH2 3.64Å; L874-W926 HydrophobicContact CD1-CZ2 3.87Å; Y919-W926 VanDerWaalsContact CB-CZ2 3.47Å; Y919-W926 HydrophobicContact CD1-CZ2 4.12Å; Y919-W926 AromaticContact CD2-CE2 3.48Å; Y919-W926 VanDerWaalsContact CD2-CE2 3.48Å; Y919-W926 AromaticContact CD2-CZ2 3.5Å; Y919-W926 HydrophobicContact CD2-CZ2 3.5Å; Y919-W926 AromaticContact CD2-NE1 3.3Å; Y919-W926 VanDerWaalsContact CD2-NE1 3.3Å; Y919-W926 HydrophobicContact CE2-CZ2 4.21Å; Y919-W926 AromaticContact CE2-NE1 3.59Å; Y919-W926 AromaticContact CG-CE2 3.91Å; Y919-W926 HydrophobicContact CG-CH2 4.18Å; Y919-W926 AromaticContact CG-CZ2 3.44Å; Y919-W926 HydrophobicContact CG-CZ2 3.44Å; Y919-W926 VanDerWaalsContact CG-CZ2 3.44Å; L920-W926 WeakPolarHBondContact O-CA 3.37Å; V921-W926 HydrophobicContact CG2-CG 4.14Å; W926-S928 VanDerWaalsContact CZ3-N 3.29Å
927	F	98.3	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.9	180	-66.6	-97.1	0	0	0	111.9	R862 G863 S882 L885 A894 M902 Y919 L920 Q925	R862-F927 CarbonylContact O-C 3.59Å; R862-F927 WeakPolarHBondContact O-CA 3.35Å; G863-F927 VanDerWaalsContact CA-CD1 3.48Å; S882-F927 WeakPolarHBondContact OG-CE1 3.45Å; S882-F927 WeakPolarHBondContact OG-CZ 3.44Å; L885-F927 HydrophobicContact CD1-CE1 4.36Å; L885-F927 HydrophobicContact CD1-CZ 4.06Å; L885-F927 HydrophobicContact CD2-CZ 4.45Å; L885-F927 HydrophobicContact CG-CZ 4.39Å; A894-F927 HydrophobicContact CB-CD1 3.65Å; A894-F927 HydrophobicContact CB-CE1 3.59Å; A894-F927 HydrophobicContact CB-CG 4.46Å; A894-F927 HydrophobicContact CB-CZ 4.35Å; M902-F927 HydrophobicContact CE-CD2 3.95Å; M902-F927 HydrophobicContact CE-CE2 3.93Å; M902-F927 HydrophobicContact CE-CG 4.34Å; M902-F927 HydrophobicContact CE-CZ 4.32Å; M902-F927 HydrophobicContact SD-CD2 4.14Å; M902-F927 HydrophobicContact SD-CE2 3.75Å; M902-F927 HydrophobicContact SD-CZ 4.37Å; Y919-F927 CarbonylContact C-O 3.45Å; Y919-F927 WeakPolarHBondContact CA-O 3.48Å; Y919-F927 VanDerWaalsContact CB-O 3.28Å; Y919-F927 WeakPolarHBondContact CB-O 3.25Å; L920-F927 HydrophobicContact CD1-CB 4Å; L920-F927 HydrophobicContact CD1-CD2 3.74Å; L920-F927 HydrophobicContact CD1-CG 4.27Å; L920-F927 HydrophobicContact CG-CB 4.08Å; L920-F927 PolarHBondContact N-O 3.15Å; L920-F927 PolarHBondContact O-N 2.89Å; Q925-F927 HydrophobicContact CB-CE2 3.95Å
928	S	97.9	Very high	96.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130	163.3	174.5	0	0	0	0	108.8	G816 T817 N818 G861 R862 W926	G816-S928 WeakPolarHBondContact O-CB 3.31Å; T817-S928 WeakPolarHBondContact CA-OG 3.46Å; N818-S928 PolarHBondContact N-OG 3.34Å; G861-S928 CarbonylContact C-O 3.57Å; G861-S928 WeakPolarHBondContact CA-O 3.49Å; R862-S928 PolarHBondContact N-O 2.84Å; R862-S928 PolarHBondContact O-N 3.32Å; W926-S928 VanDerWaalsContact CZ3-N 3.29Å
929	Y	98.2	Very high	96.7	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	13%	0.133	C	C	.	.			trans	-148.1	-180	-175.2	72.8	-66.9	0	0	0	109.8	Y896 C899 Q909 P918 L920 N931	Y896-Y929 HydrophobicContact CD2-CD2 4.12Å; Y896-Y929 HydrophobicContact CD2-CE2 4.18Å; Y896-Y929 HydrophobicContact CE2-CD2 4.49Å; Y896-Y929 HydrophobicContact CE2-CE2 4.13Å; C899-Y929 HydrophobicContact CB-CD2 3.95Å; C899-Y929 HydrophobicContact CB-CE2 3.99Å; C899-Y929 HydrophobicContact CB-CG 4.48Å; Q909-Y929 WeakPolarHBondContact CG-OH 3.19Å; Q909-Y929 PolarHBondContact OE1-OH 2.79Å; P918-Y929 HydrophobicContact CB-CD1 4.38Å; P918-Y929 HydrophobicContact CB-CE1 3.71Å; P918-Y929 VanDerWaalsContact CD-O 3.24Å; P918-Y929 WeakPolarHBondContact CD-O 3.41Å; P918-Y929 HydrophobicContact CG-CD1 4Å; P918-Y929 HydrophobicContact CG-CD2 4.38Å; P918-Y929 HydrophobicContact CG-CE1 3.7Å; P918-Y929 HydrophobicContact CG-CE2 4.14Å; P918-Y929 HydrophobicContact CG-CG 4.31Å; P918-Y929 WeakPolarHBondContact CG-O 3.03Å; L920-Y929 HydrophobicContact CB-CE1 4.11Å; L920-Y929 HydrophobicContact CD2-CD1 4.17Å; L920-Y929 HydrophobicContact CD2-CE1 3.78Å; L920-Y929 HydrophobicContact CG-CD1 4.37Å; L920-Y929 HydrophobicContact CG-CE1 4.08Å; Y929-N931 HydrophobicContact CE2-CB 3.98Å
930	D	98.2	Very high	96.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.151	C	C	.	.			trans	-112.1	144.5	171.3	-91.1	-88.5	0	0	0	110.9	P858 Y896 S934 F935 K938	P858-D930 WeakPolarHBondContact CG-OD2 3.43Å; Y896-D930 VanDerWaalsContact CD2-O 3.31Å; Y896-D930 WeakPolarHBondContact CD2-O 3.31Å; D930-S934 VanDerWaalsContact CA-OG 3.31Å; D930-S934 WeakPolarHBondContact CA-OG 3.09Å; D930-S934 WeakPolarHBondContact CB-OG 3.29Å; D930-S934 VanDerWaalsContact OD1-CB 3.25Å; D930-S934 WeakPolarHBondContact OD1-CB 3.49Å; D930-S934 PolarHBondContact OD1-OG 2.93Å; D930-F935 HydrophobicContact CB-CD2 3.75Å; D930-F935 HydrophobicContact CB-CE2 3.51Å; D930-K938 WeakPolarHBondContact OD1-CE 3.28Å; D930-K938 IonicContact OD1-NZ 3.34Å; D930-K938 PolarHBondContact OD1-NZ 2.78Å; D930-K938 IonicContact OD2-NZ 2.66Å; D930-K938 PolarHBondContact OD2-NZ 2.81Å
931	N	96.1	Very high	96.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.153	C	C	.	.			trans	-127.3	-176.1	175	71.8	1.5	0	0	0	110.5	Y896 P918 Y929 E933 S934 F935	Y896-N931 HydrophobicContact CE2-CB 3.98Å; P918-N931 HydrophobicContact CG-CB 4.02Å; Y929-N931 HydrophobicContact CE2-CB 3.98Å; N931-E933 PolarHBondContact O-N 2.94Å; N931-E933 WeakPolarHBondContact OD1-CB 3.31Å; N931-E933 PolarHBondContact OD1-N 2.85Å; N931-E933 VanDerWaalsContact OD1-N 3.08Å; N931-S934 PolarHBondContact N-OG 2.9Å; N931-S934 PolarHBondContact O-N 3Å; N931-S934 PolarHBondContact O-OG 3.4Å; N931-S934 VanDerWaalsContact O-OG 3.11Å; N931-S934 PolarHBondContact OD1-N 3.03Å; N931-F935 WeakPolarHBondContact O-CB 3.17Å; N931-F935 PolarHBondContact O-N 3.1Å
932	E	94.9	Very high	96.4	Very high	60 Å²	60	30.4 Å²	30.4	28%	0.28	15%	0.153	S	C	.	.	H	α-helix	trans	-58.2	-35	180	-66.6	163.2	-94.7	0	0	112.9	Y896 T936 K968 P975 L976 L979	Y896-E932 PolarHBondContact OH-OE1 2.9Å; E932-T936 WeakPolarHBondContact O-CB 3.44Å; E932-T936 PolarHBondContact O-N 2.86Å; E932-T936 PolarHBondContact O-OG1 3Å; E932-K968 VanDerWaalsContact OE1-CD 3.27Å; E932-K968 WeakPolarHBondContact OE1-CD 3.23Å; E932-K968 IonicContact OE1-NZ 2.83Å; E932-K968 PolarHBondContact OE1-NZ 3.49Å; E932-P975 HydrophobicContact CG-CB 4.31Å; E932-L976 HydrophobicContact CB-CD2 4.46Å; E932-L976 HydrophobicContact CG-CD2 3.86Å; E932-L976 VanDerWaalsContact N-CD2 3.3Å; E932-L979 HydrophobicContact CB-CD1 4.09Å; E932-L979 HydrophobicContact CG-CD1 4.31Å
933	E	95.6	Very high	96.2	Very high	89 Å²	89	29 Å²	29	42%	0.416	15%	0.149	S	C	.	.	H	α-helix	trans	-70	-46	178.7	-172.9	179	175.4	0	0	111.6	W911 N931 T936 H937	W911-E933 HydrophobicContact CH2-CB 4.11Å; W911-E933 HydrophobicContact CH2-CG 3.65Å; W911-E933 HydrophobicContact CZ2-CG 4.06Å; W911-E933 HydrophobicContact CZ3-CB 4.04Å; W911-E933 HydrophobicContact CZ3-CG 3.96Å; N931-E933 PolarHBondContact O-N 2.94Å; N931-E933 WeakPolarHBondContact OD1-CB 3.31Å; N931-E933 PolarHBondContact OD1-N 2.85Å; N931-E933 VanDerWaalsContact OD1-N 3.08Å; E933-T936 PolarHBondContact O-N 3.46Å; E933-H937 PolarHBondContact O-CD2 2.86Å; E933-H937 PolarHBondContact O-N 3.03Å
934	S	97.2	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-39.3	176.2	66.2	0	0	0	0	112	R916 D930 N931 T936 H937 K938	R916-S934 WeakPolarHBondContact O-CB 3.3Å; D930-S934 VanDerWaalsContact CA-OG 3.31Å; D930-S934 WeakPolarHBondContact CA-OG 3.09Å; D930-S934 WeakPolarHBondContact CB-OG 3.29Å; D930-S934 VanDerWaalsContact OD1-CB 3.25Å; D930-S934 WeakPolarHBondContact OD1-CB 3.49Å; D930-S934 PolarHBondContact OD1-OG 2.93Å; N931-S934 PolarHBondContact N-OG 2.9Å; N931-S934 PolarHBondContact O-N 3Å; N931-S934 PolarHBondContact O-OG 3.4Å; N931-S934 VanDerWaalsContact O-OG 3.11Å; N931-S934 PolarHBondContact OD1-N 3.03Å; S934-T936 VanDerWaalsContact C-N 3.34Å; S934-T936 PolarHBondContact O-N 2.65Å; S934-H937 PolarHBondContact O-N 2.95Å; S934-K938 WeakPolarHBondContact O-CB 3.15Å; S934-K938 WeakPolarHBondContact O-CG 3.4Å; S934-K938 PolarHBondContact O-N 2.89Å
935	F	97.5	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-45	172.4	-95.2	-125.3	0	0	0	111.6	L857 P858 T859 D930 N931 K938 I939 V952 L976 L979	L857-F935 HydrophobicContact CB-CE1 3.86Å; L857-F935 HydrophobicContact CB-CE2 4.09Å; L857-F935 HydrophobicContact CB-CZ 3.58Å; L857-F935 HydrophobicContact CD1-CD1 3.94Å; L857-F935 HydrophobicContact CD1-CE1 3.9Å; L857-F935 HydrophobicContact CD1-CG 4.46Å; L857-F935 HydrophobicContact CD1-CZ 4.4Å; P858-F935 WeakPolarHBondContact O-CE2 3.33Å; T859-F935 HydrophobicContact CG2-CZ 3.97Å; D930-F935 HydrophobicContact CB-CD2 3.75Å; D930-F935 HydrophobicContact CB-CE2 3.51Å; N931-F935 WeakPolarHBondContact O-CB 3.17Å; N931-F935 PolarHBondContact O-N 3.1Å; F935-K938 PolarHBondContact O-N 3.13Å; F935-I939 WeakPolarHBondContact O-CB 3.13Å; F935-I939 WeakPolarHBondContact O-CD1 3.38Å; F935-I939 VanDerWaalsContact O-CG1 3.25Å; F935-I939 WeakPolarHBondContact O-CG1 3.31Å; F935-I939 PolarHBondContact O-N 3.41Å; F935-V952 HydrophobicContact CE1-CG1 3.97Å; F935-V952 HydrophobicContact CZ-CG1 4.36Å; F935-L976 HydrophobicContact CD1-CB 3.91Å; F935-L976 WeakPolarHBondContact CD1-O 3.44Å; F935-L976 HydrophobicContact CD2-CD1 4.45Å; F935-L976 HydrophobicContact CD2-CD2 4.34Å; F935-L976 HydrophobicContact CE1-CB 3.67Å; F935-L976 HydrophobicContact CE2-CB 4.33Å; F935-L976 HydrophobicContact CE2-CD1 3.99Å; F935-L976 HydrophobicContact CG-CB 4.34Å; F935-L976 HydrophobicContact CG-CD2 4.39Å; F935-L976 HydrophobicContact CZ-CB 3.89Å; F935-L976 HydrophobicContact CZ-CD1 4.11Å; F935-L979 HydrophobicContact CB-CD1 3.55Å; F935-L979 HydrophobicContact CD1-CD1 4.48Å; F935-L979 HydrophobicContact CG-CD1 4.4Å
936	T	96.1	Very high	95.1	Very high	58 Å²	58	29.7 Å²	29.7	36%	0.356	15%	0.145	S	C	.	.	H	α-helix	trans	-59.1	-50.9	177.3	-58.5	0	0	0	0	110.8	E932 E933 S934 K938 I939 D940	E932-T936 WeakPolarHBondContact O-CB 3.44Å; E932-T936 PolarHBondContact O-N 2.86Å; E932-T936 PolarHBondContact O-OG1 3Å; E933-T936 PolarHBondContact O-N 3.46Å; S934-T936 VanDerWaalsContact C-N 3.34Å; S934-T936 PolarHBondContact O-N 2.65Å; T936-K938 VanDerWaalsContact C-N 3.31Å; T936-K938 PolarHBondContact O-N 2.88Å; T936-I939 PolarHBondContact O-N 2.99Å; T936-D940 WeakPolarHBondContact O-CB 3.11Å; T936-D940 VanDerWaalsContact O-CG 3.28Å; T936-D940 PolarHBondContact O-N 3.01Å
937	H	95.2	Very high	95	Very high	57 Å²	57	29.9 Å²	29.9	26%	0.264	15%	0.146	S	C	.	.	H	α-helix	trans	-59.5	-38.9	176.9	-76.7	-47.1	0	0	0	113.7	L821 W911 R916 E933 S934 W941	L821-H937 HydrophobicContact CD2-CB 4.27Å; W911-H937 AromaticContact CH2-CD2 3.81Å; W911-H937 AromaticContact CZ2-CD2 3.62Å; W911-H937 AromaticContact CZ2-NE2 3.86Å; R916-H937 HydrophobicContact CB-CB 4.32Å; E933-H937 PolarHBondContact O-CD2 2.86Å; E933-H937 PolarHBondContact O-N 3.03Å; S934-H937 PolarHBondContact O-N 2.95Å; H937-W941 VanDerWaalsContact O-CB 3.31Å; H937-W941 WeakPolarHBondContact O-CB 3.38Å; H937-W941 PolarHBondContact O-N 2.76Å
938	K	98.2	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.9	-42.1	178	-70.5	178.1	178.5	-178.4	0	111.4	S819 L821 M836 L857 D930 S934 F935 T936 W941 I942	S819-K938 VanDerWaalsContact O-CE 3.28Å; S819-K938 WeakPolarHBondContact O-CE 3.43Å; S819-K938 PolarHBondContact O-NZ 2.79Å; S819-K938 PolarHBondContact OG-NZ 2.76Å; L821-K938 HydrophobicContact CB-CG 4.23Å; L821-K938 HydrophobicContact CD2-CG 4.44Å; M836-K938 HydrophobicContact CE-CB 3.78Å; M836-K938 HydrophobicContact CE-CD 4.01Å; M836-K938 HydrophobicContact CE-CG 3.5Å; M836-K938 VanDerWaalsContact CE-CG 3.5Å; M836-K938 HydrophobicContact SD-CB 4.47Å; M836-K938 HydrophobicContact SD-CD 3.99Å; M836-K938 HydrophobicContact SD-CG 4.15Å; L857-K938 HydrophobicContact CD2-CB 3.86Å; L857-K938 HydrophobicContact CD2-CD 3.63Å; L857-K938 HydrophobicContact CD2-CG 4.34Å; D930-K938 WeakPolarHBondContact OD1-CE 3.28Å; D930-K938 IonicContact OD1-NZ 3.34Å; D930-K938 PolarHBondContact OD1-NZ 2.78Å; D930-K938 IonicContact OD2-NZ 2.66Å; D930-K938 PolarHBondContact OD2-NZ 2.81Å; S934-K938 WeakPolarHBondContact O-CB 3.15Å; S934-K938 WeakPolarHBondContact O-CG 3.4Å; S934-K938 PolarHBondContact O-N 2.89Å; F935-K938 PolarHBondContact O-N 3.13Å; T936-K938 VanDerWaalsContact C-N 3.31Å; T936-K938 PolarHBondContact O-N 2.88Å; K938-W941 WeakPolarHBondContact O-CB 3.31Å; K938-W941 PolarHBondContact O-N 3.11Å; K938-I942 WeakPolarHBondContact O-CG1 3.39Å; K938-I942 PolarHBondContact O-N 3.34Å
939	I	96.8	Very high	94.9	Very high	3 Å²	3	30 Å²	30	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-46	177.1	-71.4	163.9	0	0	0	111	L857 F935 T936 W941 I942 I943 L979 L980 A982 L983	L857-I939 HydrophobicContact CD1-CG1 4.3Å; F935-I939 WeakPolarHBondContact O-CB 3.13Å; F935-I939 WeakPolarHBondContact O-CD1 3.38Å; F935-I939 VanDerWaalsContact O-CG1 3.25Å; F935-I939 WeakPolarHBondContact O-CG1 3.31Å; F935-I939 PolarHBondContact O-N 3.41Å; T936-I939 PolarHBondContact O-N 2.99Å; I939-W941 PolarHBondContact O-N 3.25Å; I939-I942 WeakPolarHBondContact O-CB 3.26Å; I939-I942 PolarHBondContact O-N 3.23Å; I939-I942 VanDerWaalsContact O-N 3.11Å; I939-I943 HydrophobicContact CG2-CD1 3.9Å; I939-I943 WeakPolarHBondContact O-CG1 3.48Å; I939-I943 PolarHBondContact O-N 2.71Å; I939-L979 HydrophobicContact CD1-CB 3.62Å; I939-L979 WeakPolarHBondContact CD1-O 3.46Å; I939-L980 HydrophobicContact CD1-CD2 4.27Å; I939-A982 HydrophobicContact CG2-CB 4.25Å; I939-L983 HydrophobicContact CG2-CD2 3.91Å; I939-L983 HydrophobicContact CG2-CG 4.08Å
940	D	93.1	Very high	94.9	Very high	87 Å²	87	29.9 Å²	29.9	47%	0.465	15%	0.147	S	C	.	.	H	α-helix	trans	-57.8	-41.5	174.7	-70.2	-17.1	0	0	0	111.2	T936 I943 R944	T936-D940 WeakPolarHBondContact O-CB 3.11Å; T936-D940 VanDerWaalsContact O-CG 3.28Å; T936-D940 PolarHBondContact O-N 3.01Å; D940-I943 PolarHBondContact O-N 3.06Å; D940-R944 WeakPolarHBondContact O-CB 3.47Å; D940-R944 PolarHBondContact O-N 3.44Å
941	W	95.9	Very high	95	Very high	11 Å²	11	29.8 Å²	29.8	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-40.4	176.1	177	87	0	0	0	112.8	L821 F822 M836 A837 A840 I855 H937 K938 I939 I943 R944 E945 Y947	L821-W941 HydrophobicContact CD1-CB 3.94Å; L821-W941 HydrophobicContact CD1-CD2 3.56Å; L821-W941 HydrophobicContact CD1-CE3 3.99Å; L821-W941 HydrophobicContact CD1-CG 3.51Å; L821-W941 HydrophobicContact CD2-CB 4.17Å; L821-W941 HydrophobicContact CD2-CG 4.47Å; F822-W941 AromaticContact CE1-CD1 3.89Å; F822-W941 AromaticContact CE1-NE1 3.73Å; F822-W941 AromaticContact CZ-CD1 3.61Å; F822-W941 HydrophobicContact CZ-CG 4.48Å; F822-W941 AromaticContact CZ-NE1 3.96Å; M836-W941 HydrophobicContact CE-CD2 4.38Å; M836-W941 HydrophobicContact CE-CE3 3.67Å; M836-W941 HydrophobicContact CE-CZ3 3.92Å; M836-W941 HydrophobicContact CG-CZ3 4.4Å; A837-W941 VanDerWaalsContact CA-CZ2 3.45Å; A837-W941 HydrophobicContact CB-CH2 4.22Å; A837-W941 HydrophobicContact CB-CZ2 3.49Å; A837-W941 VanDerWaalsContact CB-CZ2 3.49Å; A840-W941 HydrophobicContact CB-CH2 3.87Å; I855-W941 HydrophobicContact CD1-CZ3 4.15Å; I855-W941 HydrophobicContact CG1-CZ3 4.14Å; H937-W941 VanDerWaalsContact O-CB 3.31Å; H937-W941 WeakPolarHBondContact O-CB 3.38Å; H937-W941 PolarHBondContact O-N 2.76Å; K938-W941 WeakPolarHBondContact O-CB 3.31Å; K938-W941 PolarHBondContact O-N 3.11Å; I939-W941 PolarHBondContact O-N 3.25Å; W941-I943 VanDerWaalsContact C-N 3.35Å; W941-I943 PolarHBondContact O-N 3.32Å; W941-R944 PolarHBondContact O-N 3.26Å; W941-E945 HydrophobicContact CD2-CG 4.25Å; W941-E945 HydrophobicContact CG-CG 4.41Å; W941-E945 HydrophobicContact CZ2-CB 4.48Å; W941-E945 HydrophobicContact CZ2-CG 4.05Å; W941-E945 WeakPolarHBondContact O-CB 3.37Å; W941-E945 PolarHBondContact O-N 2.91Å; W941-Y947 HydrophobicContact CE3-CD2 4.44Å; W941-Y947 AromaticContact CH2-CD2 3.63Å; W941-Y947 HydrophobicContact CH2-CD2 3.63Å; W941-Y947 AromaticContact CH2-CE2 3.13Å; W941-Y947 HydrophobicContact CH2-CE2 3.13Å; W941-Y947 AromaticContact CH2-CZ 3.94Å; W941-Y947 HydrophobicContact CZ2-CD2 4.27Å; W941-Y947 AromaticContact CZ2-CE2 3.54Å; W941-Y947 HydrophobicContact CZ2-CE2 3.54Å; W941-Y947 AromaticContact CZ3-CD2 3.72Å; W941-Y947 HydrophobicContact CZ3-CD2 3.72Å; W941-Y947 AromaticContact CZ3-CE2 3.76Å; W941-Y947 HydrophobicContact CZ3-CE2 3.76Å
942	I	95.6	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-47.2	175.9	-71.8	165.4	0	0	0	110.6	F617 I855 K938 I939 G946 Y947 A950 L983	F617-I942 HydrophobicContact CD1-CG2 4.44Å; F617-I942 HydrophobicContact CE1-CG2 4.46Å; I855-I942 HydrophobicContact CB-CD1 3.67Å; I855-I942 HydrophobicContact CB-CG1 3.97Å; I855-I942 HydrophobicContact CG1-CD1 4.14Å; I855-I942 HydrophobicContact CG1-CG1 3.87Å; I855-I942 HydrophobicContact CG2-CD1 3.88Å; I855-I942 HydrophobicContact CG2-CG1 4.21Å; K938-I942 WeakPolarHBondContact O-CG1 3.39Å; K938-I942 PolarHBondContact O-N 3.34Å; I939-I942 WeakPolarHBondContact O-CB 3.26Å; I939-I942 PolarHBondContact O-N 3.23Å; I939-I942 VanDerWaalsContact O-N 3.11Å; I942-G946 PolarHBondContact O-N 2.67Å; I942-Y947 PolarHBondContact O-N 3.34Å; I942-Y947 VanDerWaalsContact O-N 3.15Å; I942-A950 HydrophobicContact CD1-CB 3.76Å; I942-L983 HydrophobicContact CB-CD2 4.31Å; I942-L983 HydrophobicContact CG2-CD2 3.77Å
943	I	90.9	Very high	95.3	Very high	40 Å²	40	28.7 Å²	28.7	21%	0.205	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-53.9	177.9	-65.9	160.6	0	0	0	109.5	F617 I939 D940 W941 E945 G946 L983 V986	F617-I943 HydrophobicContact CZ-CB 4.44Å; F617-I943 HydrophobicContact CZ-CG1 4.24Å; F617-I943 HydrophobicContact CZ-CG2 4.44Å; I939-I943 HydrophobicContact CG2-CD1 3.9Å; I939-I943 WeakPolarHBondContact O-CG1 3.48Å; I939-I943 PolarHBondContact O-N 2.71Å; D940-I943 PolarHBondContact O-N 3.06Å; W941-I943 VanDerWaalsContact C-N 3.35Å; W941-I943 PolarHBondContact O-N 3.32Å; I943-E945 VanDerWaalsContact C-N 3.33Å; I943-E945 PolarHBondContact O-N 3.25Å; I943-G946 PolarHBondContact O-N 3.42Å; I943-G946 VanDerWaalsContact O-N 3.12Å; I943-L983 HydrophobicContact CD1-CD2 4.31Å; I943-L983 HydrophobicContact CG1-CD2 3.86Å; I943-V986 HydrophobicContact CD1-CG2 3.66Å; I943-V986 HydrophobicContact CG1-CG2 4.06Å; I943-V986 HydrophobicContact CG2-CB 4.48Å; I943-V986 HydrophobicContact CG2-CG1 3.93Å; I943-V986 HydrophobicContact CG2-CG2 3.87Å
944	R	87.5	Confident	95.4	Very high	160 Å²	160	24.5 Å²	24.5	60%	0.604	12%	0.12	S	C	*	.	H	α-helix	trans	-60	-39.5	-177	-172.9	179.9	74.3	-167.4	5.3	113	D940 W941	D940-R944 WeakPolarHBondContact O-CB 3.47Å; D940-R944 PolarHBondContact O-N 3.44Å; W941-R944 PolarHBondContact O-N 3.26Å
945	E	88.3	Confident	95.4	Very high	26 Å²	26	24.5 Å²	24.5	12%	0.121	12%	0.12	C	C	.	.	H	α-helix	trans	-85.9	-8.2	179.6	-70.7	-54.4	136.5	0	0	114	K391 K850 W941 I943 Y947	K391-E945 IonicContact NZ-OE1 3.5Å; K391-E945 IonicContact NZ-OE2 3.84Å; K391-E945 PolarHBondContact NZ-OE2 2.78Å; K850-E945 VanDerWaalsContact CD-O 3.26Å; K850-E945 WeakPolarHBondContact CD-O 3.24Å; K850-E945 PolarHBondContact NZ-O 2.75Å; K850-E945 IonicContact NZ-OE2 2.72Å; K850-E945 PolarHBondContact NZ-OE2 2.9Å; W941-E945 HydrophobicContact CD2-CG 4.25Å; W941-E945 HydrophobicContact CG-CG 4.41Å; W941-E945 HydrophobicContact CZ2-CB 4.48Å; W941-E945 HydrophobicContact CZ2-CG 4.05Å; W941-E945 WeakPolarHBondContact O-CB 3.37Å; W941-E945 PolarHBondContact O-N 2.91Å; I943-E945 VanDerWaalsContact C-N 3.33Å; I943-E945 PolarHBondContact O-N 3.25Å; E945-Y947 HydrophobicContact CB-CD2 3.65Å; E945-Y947 HydrophobicContact CB-CE2 3.53Å; E945-Y947 HydrophobicContact CG-CE2 4.3Å
946	G	89.1	Confident	95.5	Very high	22 Å²	22	24.5 Å²	24.5	23%	0.227	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	31.3	175.2	0	0	0	0	0	114.6	K850 I942 I943	K850-G946 WeakPolarHBondContact CB-O 3.37Å; I942-G946 PolarHBondContact O-N 2.67Å; I943-G946 PolarHBondContact O-N 3.42Å; I943-G946 VanDerWaalsContact O-N 3.12Å
947	Y	95.4	Very high	95.5	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.016	11%	0.106	C	C	.	.			trans	-71.8	166.9	173	-72.7	-70.5	0	0	0	111.8	F617 A840 A841 K850 I853 I855 W941 I942 E945 G949	F617-Y947 WeakPolarHBondContact CD1-O 3.46Å; F617-Y947 WeakPolarHBondContact CE1-O 3.43Å; A840-Y947 VanDerWaalsContact C-OH 3.26Å; A840-Y947 HydrophobicContact CB-CE1 3.75Å; A840-Y947 HydrophobicContact CB-CE2 4.11Å; A840-Y947 WeakPolarHBondContact CB-OH 3.3Å; A841-Y947 PolarHBondContact N-OH 3.49Å; K850-Y947 HydrophobicContact CB-CD1 3.98Å; K850-Y947 HydrophobicContact CB-CE1 4.27Å; K850-Y947 HydrophobicContact CD-CD1 4.46Å; K850-Y947 HydrophobicContact CD-CE1 4.24Å; K850-Y947 HydrophobicContact CG-CD1 4.08Å; K850-Y947 HydrophobicContact CG-CE1 3.87Å; K850-Y947 CarbonylContact O-C 3.55Å; K850-Y947 WeakPolarHBondContact O-CA 3.31Å; I853-Y947 HydrophobicContact CB-CD1 3.92Å; I853-Y947 HydrophobicContact CB-CE1 4.37Å; I853-Y947 HydrophobicContact CD1-CD1 4.3Å; I853-Y947 HydrophobicContact CD1-CE1 3.97Å; I853-Y947 HydrophobicContact CG2-CD1 4.15Å; I853-Y947 HydrophobicContact CG2-CE1 4.39Å; I855-Y947 HydrophobicContact CD1-CD1 4.45Å; I855-Y947 HydrophobicContact CD1-CG 4.29Å; I855-Y947 HydrophobicContact CG1-CG 4.32Å; W941-Y947 HydrophobicContact CE3-CD2 4.44Å; W941-Y947 AromaticContact CH2-CD2 3.63Å; W941-Y947 HydrophobicContact CH2-CD2 3.63Å; W941-Y947 AromaticContact CH2-CE2 3.13Å; W941-Y947 HydrophobicContact CH2-CE2 3.13Å; W941-Y947 AromaticContact CH2-CZ 3.94Å; W941-Y947 HydrophobicContact CZ2-CD2 4.27Å; W941-Y947 AromaticContact CZ2-CE2 3.54Å; W941-Y947 HydrophobicContact CZ2-CE2 3.54Å; W941-Y947 AromaticContact CZ3-CD2 3.72Å; W941-Y947 HydrophobicContact CZ3-CD2 3.72Å; W941-Y947 AromaticContact CZ3-CE2 3.76Å; W941-Y947 HydrophobicContact CZ3-CE2 3.76Å; I942-Y947 PolarHBondContact O-N 3.34Å; I942-Y947 VanDerWaalsContact O-N 3.15Å; E945-Y947 HydrophobicContact CB-CD2 3.65Å; E945-Y947 HydrophobicContact CB-CE2 3.53Å; E945-Y947 HydrophobicContact CG-CE2 4.3Å; Y947-G949 VanDerWaalsContact C-N 3.25Å; Y947-G949 PolarHBondContact O-N 2.99Å
948	G	96.2	Very high	95.6	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	9%	0.094	C	C	.	.	S	Bend	trans	-71.4	-16.2	-170.4	0	0	0	0	0	115	F617 I618 K850 K851 I853	F617-G948 WeakPolarHBondContact CA-O 3.19Å; I618-G948 PolarHBondContact N-O 3.28Å; K850-G948 PolarHBondContact O-N 2.97Å; K851-G948 WeakPolarHBondContact O-CA 3.39Å; I853-G948 PolarHBondContact O-N 2.88Å
949	G	97.6	Very high	95.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-156.6	-177	0	0	0	0	0	111.4	I618 I855 Y947	I618-G949 CarbonylContact O-C 3.58Å; I618-G949 VanDerWaalsContact O-CA 3.26Å; I618-G949 WeakPolarHBondContact O-CA 3.43Å; I855-G949 PolarHBondContact N-O 3.5Å; Y947-G949 VanDerWaalsContact C-N 3.25Å; Y947-G949 PolarHBondContact O-N 2.99Å
950	A	98.6	Very high	95.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.7	-179.9	0	0	0	0	0	111.8	I618 R619 G620 I855 L857 I942 L980 L983	I618-A950 PolarHBondContact O-N 3.05Å; I618-A950 VanDerWaalsContact O-O 3.09Å; R619-A950 WeakPolarHBondContact CA-O 3.42Å; G620-A950 PolarHBondContact N-O 2.8Å; I855-A950 CarbonylContact O-C 3.55Å; I855-A950 WeakPolarHBondContact O-CA 3.34Å; L857-A950 HydrophobicContact CD1-CB 4Å; L857-A950 HydrophobicContact CG-CB 4.32Å; I942-A950 HydrophobicContact CD1-CB 3.76Å; A950-L980 HydrophobicContact CB-CD2 3.63Å; A950-L983 HydrophobicContact CB-CD1 3.89Å
951	F	98.7	Very high	95.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.3	166.9	77.6	-86.9	0	0	0	111.2	G620 Y622 N801 L802 M803 Y805 I854 I855 G856 L857	G620-F951 CarbonylContact O-C 3.6Å; G620-F951 WeakPolarHBondContact O-CA 3.25Å; Y622-F951 AromaticContact CD2-CD2 3.6Å; Y622-F951 HydrophobicContact CD2-CD2 3.6Å; Y622-F951 AromaticContact CD2-CE2 3.9Å; Y622-F951 HydrophobicContact CD2-CE2 3.9Å; Y622-F951 AromaticContact CE2-CD2 3.44Å; Y622-F951 HydrophobicContact CE2-CD2 3.44Å; Y622-F951 VanDerWaalsContact CE2-CD2 3.44Å; Y622-F951 AromaticContact CE2-CE2 3.53Å; Y622-F951 HydrophobicContact CE2-CE2 3.53Å; Y622-F951 HydrophobicContact CE2-CG 4.34Å; N801-F951 VanDerWaalsContact C-CE1 3.49Å; N801-F951 HydrophobicContact CB-CD1 3.79Å; N801-F951 HydrophobicContact CB-CE1 3.53Å; N801-F951 HydrophobicContact CB-CE2 4.36Å; N801-F951 HydrophobicContact CB-CG 4.33Å; N801-F951 HydrophobicContact CB-CZ 3.83Å; L802-F951 VanDerWaalsContact O-CE1 3.31Å; L802-F951 WeakPolarHBondContact O-CE1 3.26Å; M803-F951 HydrophobicContact CG-CZ 4.28Å; Y805-F951 HydrophobicContact CE1-CE2 4.18Å; Y805-F951 HydrophobicContact CE1-CZ 4.07Å; Y805-F951 VanDerWaalsContact OH-CE2 3.24Å; Y805-F951 WeakPolarHBondContact OH-CE2 3.43Å; Y805-F951 WeakPolarHBondContact OH-CZ 3.45Å; I854-F951 HydrophobicContact CB-CD1 4.39Å; I854-F951 HydrophobicContact CG2-CB 4.13Å; I854-F951 HydrophobicContact CG2-CD1 4.04Å; I855-F951 PolarHBondContact O-N 3.27Å; G856-F951 VanDerWaalsContact CA-CZ 3.49Å; G856-F951 WeakPolarHBondContact CA-O 3.23Å; G856-F951 VanDerWaalsContact N-CE1 3.35Å; L857-F951 PolarHBondContact N-O 3.17Å
952	V	98.7	Very high	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.3	174.6	-65.2	0	0	0	0	112.5	G620 C621 Y622 L857 T859 F935 T977 L980	G620-V952 PolarHBondContact O-N 3.09Å; C621-V952 HydrophobicContact CB-CG2 3.97Å; C621-V952 VanDerWaalsContact SG-CG2 3.52Å; Y622-V952 PolarHBondContact N-O 2.76Å; L857-V952 HydrophobicContact CB-CG1 4.35Å; L857-V952 WeakPolarHBondContact O-CA 3.29Å; T859-V952 HydrophobicContact CG2-CB 4.26Å; T859-V952 HydrophobicContact CG2-CG1 4.33Å; F935-V952 HydrophobicContact CE1-CG1 3.97Å; F935-V952 HydrophobicContact CZ-CG1 4.36Å; V952-T977 HydrophobicContact CG1-CG2 4.35Å; V952-T977 HydrophobicContact CG2-CG2 3.78Å; V952-L980 HydrophobicContact CG1-CD1 4.12Å; V952-L980 HydrophobicContact CG1-CG 4.42Å
953	W	98.5	Very high	94.9	Very high	42 Å²	42	21.4 Å²	21.4	16%	0.159	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.7	160.2	-179.9	-81.8	0	0	0	108.3	Y622 T624 W626 A652 F653 Y805 L857 P858 T859 Y860	Y622-W953 AromaticContact CD1-CE3 3.72Å; Y622-W953 HydrophobicContact CD1-CE3 3.72Å; Y622-W953 AromaticContact CD1-CZ3 3.56Å; Y622-W953 HydrophobicContact CD1-CZ3 3.56Å; Y622-W953 HydrophobicContact CD2-CE3 4.02Å; Y622-W953 HydrophobicContact CE1-CE3 4.43Å; Y622-W953 HydrophobicContact CE1-CZ3 4.22Å; Y622-W953 AromaticContact CG-CE3 3.49Å; Y622-W953 HydrophobicContact CG-CE3 3.49Å; Y622-W953 VanDerWaalsContact CG-CE3 3.49Å; Y622-W953 AromaticContact CG-CZ3 3.82Å; Y622-W953 HydrophobicContact CG-CZ3 3.82Å; T624-W953 HydrophobicContact CG2-CH2 4.2Å; T624-W953 HydrophobicContact CG2-CZ2 4.3Å; W626-W953 AromaticContact CH2-CH2 3.89Å; W626-W953 HydrophobicContact CH2-CH2 3.89Å; W626-W953 HydrophobicContact CH2-CZ2 4.18Å; W626-W953 HydrophobicContact CZ2-CH2 4.21Å; W626-W953 HydrophobicContact CZ2-CZ2 4.03Å; A652-W953 HydrophobicContact CB-CH2 4.34Å; A652-W953 HydrophobicContact CB-CZ3 4.22Å; F653-W953 AromaticContact CE2-CH2 3.83Å; F653-W953 HydrophobicContact CE2-CH2 3.83Å; F653-W953 HydrophobicContact CE2-CZ3 4.4Å; F653-W953 AromaticContact CZ-CH2 3.69Å; F653-W953 HydrophobicContact CZ-CH2 3.69Å; F653-W953 AromaticContact CZ-CZ3 3.83Å; F653-W953 HydrophobicContact CZ-CZ3 3.83Å; Y805-W953 HydrophobicContact CE1-CB 4.32Å; L857-W953 PolarHBondContact O-N 3.18Å; L857-W953 VanDerWaalsContact O-N 3.14Å; P858-W953 CarbonylContact C-O 3.55Å; P858-W953 WeakPolarHBondContact CA-O 3.39Å; T859-W953 PolarHBondContact N-O 2.9Å; T859-W953 PolarHBondContact OG1-O 2.89Å; Y860-W953 AromaticContact CD1-CD1 3.82Å; Y860-W953 AromaticContact CE1-CD1 3.45Å; Y860-W953 VanDerWaalsContact CE1-CD1 3.45Å; Y860-W953 HydrophobicContact CE1-CG 4.41Å
954	S	98.3	Very high	94.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.			cis	-137.7	169.9	-3.7	60.5	0	0	0	0	111.7	T859 D956 M957	T859-S954 PolarHBondContact OG1-N 2.86Å; T859-S954 PolarHBondContact OG1-O 3.17Å; S954-D956 WeakPolarHBondContact CB-OD1 2.99Å; S954-D956 PolarHBondContact O-N 2.62Å; S954-D956 PolarHBondContact OG-OD1 2.56Å; S954-M957 PolarHBondContact O-N 3.29Å
955	L	98.3	Very high	94.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-56.6	-37.4	178.8	-74.8	168.2	0	0	0	113.1	C621 Y622 F623 Y636 Y641 M957 Y974 T977	C621-L955 HydrophobicContact CB-CD1 3.97Å; C621-L955 HydrophobicContact CB-CD2 3.92Å; C621-L955 HydrophobicContact CB-CG 3.86Å; Y622-L955 PolarHBondContact O-N 3.1Å; F623-L955 HydrophobicContact CB-CD1 4.3Å; Y636-L955 HydrophobicContact CE1-CB 3.96Å; Y636-L955 HydrophobicContact CE2-CB 4.43Å; Y641-L955 HydrophobicContact CD2-CD1 4.07Å; Y641-L955 HydrophobicContact CD2-CD2 4.42Å; Y641-L955 HydrophobicContact CE2-CD1 4.42Å; L955-M957 VanDerWaalsContact C-N 3.28Å; L955-M957 PolarHBondContact O-N 2.75Å; L955-Y974 HydrophobicContact CD2-CD1 4.42Å; L955-Y974 HydrophobicContact CD2-CE1 4.03Å; L955-T977 HydrophobicContact CD2-CG2 4.08Å
956	D	98	Very high	93.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-77.5	-8.2	-175.7	70.1	-79.9	0	0	0	114.5	T624 S627 R630 Y636 Y897 S954	T624-D956 PolarHBondContact OG1-OD1 2.8Å; S627-D956 VanDerWaalsContact CB-CB 3.43Å; R630-D956 IonicContact CZ-OD2 3.13Å; R630-D956 VanDerWaalsContact CZ-OD2 3.3Å; R630-D956 IonicContact NE-OD2 3.73Å; R630-D956 PolarHBondContact NE-OD2 2.86Å; R630-D956 IonicContact NH2-OD2 2.72Å; R630-D956 PolarHBondContact NH2-OD2 2.81Å; Y636-D956 HydrophobicContact CD1-CB 4.11Å; Y636-D956 HydrophobicContact CD2-CB 4.21Å; Y636-D956 HydrophobicContact CG-CB 3.73Å; Y897-D956 VanDerWaalsContact CE1-O 3.27Å; Y897-D956 WeakPolarHBondContact CE1-O 3.31Å; S954-D956 WeakPolarHBondContact CB-OD1 2.99Å; S954-D956 PolarHBondContact O-N 2.62Å; S954-D956 PolarHBondContact OG-OD1 2.56Å
957	M	97.9	Very high	92.2	Very high	14 Å²	14	21 Å²	21	7%	0.069	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-102.7	-10.3	-178.1	-66.2	179.9	176.7	0	0	113.5	R630 T859 Y860 S895 Y896 Y897 S954 L955	R630-M957 VanDerWaalsContact NH2-CE 3.33Å; T859-M957 CarbonylContact O-C 3.55Å; T859-M957 WeakPolarHBondContact O-CB 3.08Å; T859-M957 VanDerWaalsContact O-O 3.06Å; T859-M957 WeakPolarHBondContact OG1-CB 3.42Å; Y860-M957 VanDerWaalsContact CB-SD 3.59Å; Y860-M957 HydrophobicContact CD1-SD 3.96Å; Y860-M957 HydrophobicContact CG-SD 3.98Å; S895-M957 WeakPolarHBondContact CB-O 3.35Å; Y896-M957 WeakPolarHBondContact CB-O 3.3Å; Y896-M957 PolarHBondContact N-O 2.04Å; Y897-M957 WeakPolarHBondContact CD1-O 3.44Å; S954-M957 PolarHBondContact O-N 3.29Å; L955-M957 VanDerWaalsContact C-N 3.28Å; L955-M957 PolarHBondContact O-N 2.75Å
958	D	97.3	Very high	90.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-80.2	166.5	169.4	-160.3	-2	0	0	0	111.1	T859 Y897 F960 Y974 P975 L976 T977	T859-D958 HydrophobicContact CG2-CB 4.14Å; Y897-D958 WeakPolarHBondContact CD1-O 3.35Å; D958-F960 VanDerWaalsContact O-CD1 3.26Å; D958-F960 WeakPolarHBondContact O-CD1 3.46Å; D958-F960 PolarHBondContact O-N 3.19Å; D958-Y974 HydrophobicContact CB-CD1 4.36Å; D958-Y974 WeakPolarHBondContact OD2-CA 3.49Å; D958-P975 WeakPolarHBondContact OD1-CD 3.05Å; D958-P975 WeakPolarHBondContact OD1-CG 3.02Å; D958-L976 PolarHBondContact OD1-N 3.45Å; D958-L976 PolarHBondContact OD2-N 2.74Å; D958-T977 WeakPolarHBondContact OD2-CB 3.15Å; D958-T977 PolarHBondContact OD2-N 3.17Å; D958-T977 PolarHBondContact OD2-OG1 3.24Å
959	D	95.5	Very high	88.1	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	18%	0.183	C	C	.	.			trans	-75.5	67.7	172.4	-175.1	6.7	0	0	0	110.6	G961 G962 T963 F964 C965 K973 Y974 P975	D959-G961 PolarHBondContact O-N 3.4Å; D959-G962 PolarHBondContact O-N 3.41Å; D959-G962 VanDerWaalsContact O-N 3.11Å; D959-G962 WeakPolarHBondContact OD1-CA 3.39Å; D959-G962 PolarHBondContact OD1-N 2.9Å; D959-T963 PolarHBondContact OD1-N 2.81Å; D959-T963 PolarHBondContact OD2-N 3.14Å; D959-F964 WeakPolarHBondContact OD1-CD2 3.5Å; D959-F964 PolarHBondContact OD1-N 2.69Å; D959-F964 PolarHBondContact OD2-N 2.95Å; D959-C965 PolarHBondContact OD2-N 2.73Å; D959-K973 CarbonylContact O-C 3.39Å; D959-K973 WeakPolarHBondContact O-CA 3.35Å; D959-Y974 PolarHBondContact O-N 2.9Å; D959-P975 HydrophobicContact CB-CG 3.95Å; D959-P975 WeakPolarHBondContact O-CD 3.4Å
960	F	95.4	Very high	86.4	Confident	9 Å²	9	34.9 Å²	34.9	4%	0.039	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.9	-177.8	61.9	-98.2	0	0	0	113.2	S633 Y636 N640 Y897 D958 K973 Y974	S633-F960 VanDerWaalsContact O-CZ 3.24Å; S633-F960 WeakPolarHBondContact O-CZ 3.46Å; Y636-F960 HydrophobicContact CD2-CB 4.13Å; Y636-F960 AromaticContact CD2-CD1 3.57Å; Y636-F960 HydrophobicContact CD2-CD1 3.57Å; Y636-F960 AromaticContact CD2-CD2 3.63Å; Y636-F960 HydrophobicContact CD2-CD2 3.63Å; Y636-F960 AromaticContact CD2-CE1 3.78Å; Y636-F960 HydrophobicContact CD2-CE1 3.78Å; Y636-F960 AromaticContact CD2-CE2 3.83Å; Y636-F960 HydrophobicContact CD2-CE2 3.83Å; Y636-F960 AromaticContact CD2-CG 3.5Å; Y636-F960 HydrophobicContact CD2-CG 3.5Å; Y636-F960 AromaticContact CD2-CZ 3.91Å; Y636-F960 HydrophobicContact CD2-CZ 3.91Å; Y636-F960 HydrophobicContact CE2-CB 3.71Å; Y636-F960 HydrophobicContact CE2-CD1 4.01Å; Y636-F960 AromaticContact CE2-CD2 3.93Å; Y636-F960 HydrophobicContact CE2-CD2 3.93Å; Y636-F960 AromaticContact CE2-CG 3.62Å; Y636-F960 HydrophobicContact CE2-CG 3.62Å; N640-F960 HydrophobicContact CB-CD2 4.26Å; Y897-F960 HydrophobicContact CE1-CE1 4.47Å; D958-F960 VanDerWaalsContact O-CD1 3.26Å; D958-F960 WeakPolarHBondContact O-CD1 3.46Å; D958-F960 PolarHBondContact O-N 3.19Å; F960-K973 WeakPolarHBondContact O-CB 3.34Å; F960-K973 WeakPolarHBondContact O-CD 3.07Å; F960-K973 WeakPolarHBondContact O-CG 3.03Å; F960-Y974 HydrophobicContact CB-CD1 3.84Å; F960-Y974 HydrophobicContact CB-CD2 4.49Å; F960-Y974 HydrophobicContact CB-CE1 3.31Å; F960-Y974 HydrophobicContact CB-CE2 4.03Å; F960-Y974 HydrophobicContact CB-CG 4.4Å; F960-Y974 VanDerWaalsContact CB-CZ 3.42Å
961	G	91.9	Very high	84.7	Confident	30 Å²	30	40 Å²	40	31%	0.309	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.6	174.8	0	0	0	0	0	113	D959 T963	D959-G961 PolarHBondContact O-N 3.4Å; G961-T963 VanDerWaalsContact C-N 3.29Å
962	G	90.8	Very high	83.9	Confident	6 Å²	6	44.8 Å²	44.8	6%	0.062	26%	0.256	C	S	.	.	S	Bend	trans	72.7	21.5	-171.2	0	0	0	0	0	112.9	D959	D959-G962 PolarHBondContact O-N 3.41Å; D959-G962 VanDerWaalsContact O-N 3.11Å; D959-G962 WeakPolarHBondContact OD1-CA 3.39Å; D959-G962 PolarHBondContact OD1-N 2.9Å
963	T	89.6	Confident	83.6	Confident	90 Å²	90	49.6 Å²	49.6	55%	0.552	28%	0.277	S	S	*	.			trans	-114.1	-17.1	-170.3	54.2	0	0	0	0	113.9	D959 G961	D959-T963 PolarHBondContact OD1-N 2.81Å; D959-T963 PolarHBondContact OD2-N 3.14Å; G961-T963 VanDerWaalsContact C-N 3.29Å
964	F	90.4	Very high	83.5	Confident	21 Å²	21	47.6 Å²	47.6	9%	0.092	27%	0.269	C	S	.	.	S	Bend	trans	-90.7	-34.3	-173.3	-69.5	-82.6	0	0	0	112.7	Y887 Y897 E901 D959 A966	Y887-F964 HydrophobicContact CD2-CE1 4.44Å; Y887-F964 HydrophobicContact CE1-CE1 4.3Å; Y887-F964 HydrophobicContact CE1-CZ 4.09Å; Y887-F964 AromaticContact CE2-CE1 3.69Å; Y887-F964 HydrophobicContact CE2-CE1 3.69Å; Y887-F964 HydrophobicContact CE2-CZ 4.22Å; Y887-F964 AromaticContact CZ-CE1 3.6Å; Y887-F964 AromaticContact CZ-CZ 3.87Å; Y897-F964 HydrophobicContact CD2-CD1 4.12Å; Y897-F964 HydrophobicContact CD2-CD2 4.11Å; Y897-F964 AromaticContact CD2-CE1 3.99Å; Y897-F964 HydrophobicContact CD2-CE1 3.99Å; Y897-F964 AromaticContact CD2-CE2 3.99Å; Y897-F964 HydrophobicContact CD2-CE2 3.99Å; Y897-F964 HydrophobicContact CD2-CG 4.16Å; Y897-F964 AromaticContact CD2-CZ 3.9Å; Y897-F964 HydrophobicContact CD2-CZ 3.9Å; Y897-F964 HydrophobicContact CE2-CZ 4.26Å; Y897-F964 HydrophobicContact CG-CD2 4.01Å; Y897-F964 HydrophobicContact CG-CE2 4.19Å; Y897-F964 HydrophobicContact CG-CG 4.24Å; E901-F964 HydrophobicContact CG-CD1 3.75Å; E901-F964 HydrophobicContact CG-CE1 4.47Å; D959-F964 WeakPolarHBondContact OD1-CD2 3.5Å; D959-F964 PolarHBondContact OD1-N 2.69Å; D959-F964 PolarHBondContact OD2-N 2.95Å; F964-A966 PolarHBondContact O-N 2.9Å
965	C	87.2	Confident	83.3	Confident	18 Å²	18	48.3 Å²	48.3	12%	0.122	27%	0.274	C	S	.	.	S	Bend	trans	-94.9	22.5	-176.8	-54.6	0	0	0	0	113.9	Y896 C900 D959 N967 K968	Y896-C965 VanDerWaalsContact CE1-SG 3.53Å; C900-C965 HydrophobicContact CB-CB 3.85Å; C900-C965 WeakPolarHBondContact CB-SG 3.25Å; C900-C965 WeakPolarHBondContact SG-CB 3.38Å; C900-C965 CovalentContact SG-SG 2.04Å; C900-C965 PolarHBondContact SG-SG 3.14Å; D959-C965 PolarHBondContact OD2-N 2.73Å; C965-N967 PolarHBondContact O-N 3.5Å; C965-K968 PolarHBondContact O-N 2.88Å
966	A	62.9	Low	83.2	Confident	53 Å²	53	48.3 Å²	48.3	44%	0.438	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-10.3	-164.5	0	0	0	0	0	117.3	F964 K968	F964-A966 PolarHBondContact O-N 2.9Å; A966-K968 VanDerWaalsContact C-N 3.29Å
967	N	59.3	Low	83.1	Confident	146 Å²	146	48.3 Å²	48.3	78%	0.781	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.9	174.1	-66.5	-17	0	0	0	113.6	C965	C965-N967 PolarHBondContact O-N 3.5Å
968	K	59.5	Low	83	Confident	85 Å²	85	50.6 Å²	50.6	37%	0.37	28%	0.282	S	S	.	.	S	Bend	trans	-98.9	125.8	170.3	-65.1	-176.3	174.9	-179.9	0	108.9	Y896 E932 C965 A966 D970	Y896-K968 PolarHBondContact OH-NZ 3.23Å; Y896-K968 VanDerWaalsContact OH-NZ 3.16Å; E932-K968 VanDerWaalsContact OE1-CD 3.27Å; E932-K968 WeakPolarHBondContact OE1-CD 3.23Å; E932-K968 IonicContact OE1-NZ 2.83Å; E932-K968 PolarHBondContact OE1-NZ 3.49Å; C965-K968 PolarHBondContact O-N 2.88Å; A966-K968 VanDerWaalsContact C-N 3.29Å; K968-D970 PolarHBondContact O-N 3.03Å
969	S	46.7	Very low	82.9	Confident	120 Å²	120	52.7 Å²	52.7	84%	0.839	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	5.2	-156.6	43.2	0	0	0	0	120.2
970	D	60.5	Low	82.9	Confident	95 Å²	95	52.6 Å²	52.6	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-1.4	-170.7	-62.3	-21.9	0	0	0	117	K968 K972	K968-D970 PolarHBondContact O-N 3.03Å; D970-K972 HydrophobicContact CB-CD 3.58Å; D970-K972 HydrophobicContact CB-CG 3.64Å; D970-K972 PolarHBondContact O-N 2.84Å; D970-K972 VanDerWaalsContact OD2-CE 3.23Å; D970-K972 WeakPolarHBondContact OD2-CE 3.47Å; D970-K972 IonicContact OD2-NZ 3.43Å; D970-K972 PolarHBondContact OD2-NZ 2.87Å
971	N	64.3	Low	82.7	Confident	109 Å²	109	55.4 Å²	55.4	58%	0.583	30%	0.304	S	S	*	.			trans	42.4	36.4	-178.7	-73.9	-19.3	0	0	0	114	K973	N971-K973 PolarHBondContact O-N 3.42Å
972	K	81.4	Confident	82.6	Confident	99 Å²	99	56 Å²	56	43%	0.43	31%	0.306	S	S	.	.			trans	-79.1	119.7	-173	-78.1	170.4	176.5	162.2	0	109.4	D970 P975	D970-K972 HydrophobicContact CB-CD 3.58Å; D970-K972 HydrophobicContact CB-CG 3.64Å; D970-K972 PolarHBondContact O-N 2.84Å; D970-K972 VanDerWaalsContact OD2-CE 3.23Å; D970-K972 WeakPolarHBondContact OD2-CE 3.47Å; D970-K972 IonicContact OD2-NZ 3.43Å; D970-K972 PolarHBondContact OD2-NZ 2.87Å; K972-P975 WeakPolarHBondContact O-CD 3.37Å
973	K	92.8	Very high	82.5	Confident	102 Å²	102	55.8 Å²	55.8	44%	0.443	30%	0.303	S	S	.	.	S	Bend	trans	-53.7	140.1	165.6	-62.8	-174.4	174.9	-177.1	0	111.8	D959 F960 N971 R978	D959-K973 CarbonylContact O-C 3.39Å; D959-K973 WeakPolarHBondContact O-CA 3.35Å; F960-K973 WeakPolarHBondContact O-CB 3.34Å; F960-K973 WeakPolarHBondContact O-CD 3.07Å; F960-K973 WeakPolarHBondContact O-CG 3.03Å; N971-K973 PolarHBondContact O-N 3.42Å; K973-R978 PolarHBondContact O-NE 3.1Å; K973-R978 VanDerWaalsContact O-NE 3.07Å; K973-R978 PolarHBondContact O-NH2 2.01Å
974	Y	95.2	Very high	81.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	54.2	52.5	179.1	-55.2	-84.1	0	0	0	114	Y636 N640 Y641 E642 L645 L955 D958 D959 F960 L976 T977 R978	Y636-Y974 HydrophobicContact CE2-CE1 4.04Å; Y636-Y974 WeakPolarHBondContact CE2-OH 3.18Å; Y636-Y974 VanDerWaalsContact CZ-OH 3.32Å; Y636-Y974 PolarHBondContact OH-OH 2.82Å; N640-Y974 PolarHBondContact O-OH 2.8Å; Y641-Y974 WeakPolarHBondContact CA-OH 3.34Å; E642-Y974 HydrophobicContact CB-CD2 4.38Å; E642-Y974 HydrophobicContact CB-CE2 4.11Å; L645-Y974 HydrophobicContact CD1-CD1 4.07Å; L645-Y974 HydrophobicContact CD1-CD2 3.57Å; L645-Y974 HydrophobicContact CD1-CE1 4.19Å; L645-Y974 HydrophobicContact CD1-CE2 3.72Å; L645-Y974 HydrophobicContact CD1-CG 3.75Å; L955-Y974 HydrophobicContact CD2-CD1 4.42Å; L955-Y974 HydrophobicContact CD2-CE1 4.03Å; D958-Y974 HydrophobicContact CB-CD1 4.36Å; D958-Y974 WeakPolarHBondContact OD2-CA 3.49Å; D959-Y974 PolarHBondContact O-N 2.9Å; F960-Y974 HydrophobicContact CB-CD1 3.84Å; F960-Y974 HydrophobicContact CB-CD2 4.49Å; F960-Y974 HydrophobicContact CB-CE1 3.31Å; F960-Y974 HydrophobicContact CB-CE2 4.03Å; F960-Y974 HydrophobicContact CB-CG 4.4Å; F960-Y974 VanDerWaalsContact CB-CZ 3.42Å; Y974-L976 PolarHBondContact O-N 3.34Å; Y974-L976 VanDerWaalsContact O-N 3.15Å; Y974-T977 PolarHBondContact O-N 2.98Å; Y974-R978 WeakPolarHBondContact O-CB 3.35Å; Y974-R978 PolarHBondContact O-N 2.98Å
975	P	94.3	Very high	80.7	Confident	15 Å²	15	60.2 Å²	60.2	10%	0.097	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.3	-176.6	24.8	-35.4	0	0	0	112.9	Y896 E932 D958 D959 K972	Y896-P975 HydrophobicContact CD1-CG 4.12Å; Y896-P975 HydrophobicContact CE1-CB 4.37Å; Y896-P975 HydrophobicContact CE1-CG 3.53Å; E932-P975 HydrophobicContact CG-CB 4.31Å; D958-P975 WeakPolarHBondContact OD1-CD 3.05Å; D958-P975 WeakPolarHBondContact OD1-CG 3.02Å; D959-P975 HydrophobicContact CB-CG 3.95Å; D959-P975 WeakPolarHBondContact O-CD 3.4Å; K972-P975 WeakPolarHBondContact O-CD 3.37Å
976	L	96.4	Very high	79	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-56.1	176	-57	-172.3	0	0	0	112.3	T859 Y896 E932 F935 D958 Y974 R978 L979	T859-L976 HydrophobicContact CG2-CB 4.22Å; T859-L976 HydrophobicContact CG2-CD1 4.14Å; Y896-L976 HydrophobicContact CD1-CD1 3.84Å; Y896-L976 HydrophobicContact CD1-CD2 4.44Å; Y896-L976 HydrophobicContact CD1-CG 3.8Å; Y896-L976 HydrophobicContact CD2-CD1 3.61Å; Y896-L976 HydrophobicContact CD2-CD2 4.34Å; Y896-L976 HydrophobicContact CD2-CG 4.18Å; Y896-L976 HydrophobicContact CE1-CD1 4.34Å; Y896-L976 HydrophobicContact CE1-CD2 4.12Å; Y896-L976 HydrophobicContact CE1-CG 3.92Å; Y896-L976 HydrophobicContact CE2-CD1 4.13Å; Y896-L976 HydrophobicContact CE2-CD2 4Å; Y896-L976 HydrophobicContact CE2-CG 4.28Å; Y896-L976 HydrophobicContact CG-CD1 3.43Å; Y896-L976 VanDerWaalsContact CG-CD1 3.43Å; Y896-L976 HydrophobicContact CG-CG 3.93Å; E932-L976 HydrophobicContact CB-CD2 4.46Å; E932-L976 HydrophobicContact CG-CD2 3.86Å; E932-L976 VanDerWaalsContact N-CD2 3.3Å; F935-L976 HydrophobicContact CD1-CB 3.91Å; F935-L976 WeakPolarHBondContact CD1-O 3.44Å; F935-L976 HydrophobicContact CD2-CD1 4.45Å; F935-L976 HydrophobicContact CD2-CD2 4.34Å; F935-L976 HydrophobicContact CE1-CB 3.67Å; F935-L976 HydrophobicContact CE2-CB 4.33Å; F935-L976 HydrophobicContact CE2-CD1 3.99Å; F935-L976 HydrophobicContact CG-CB 4.34Å; F935-L976 HydrophobicContact CG-CD2 4.39Å; F935-L976 HydrophobicContact CZ-CB 3.89Å; F935-L976 HydrophobicContact CZ-CD1 4.11Å; D958-L976 PolarHBondContact OD1-N 3.45Å; D958-L976 PolarHBondContact OD2-N 2.74Å; Y974-L976 PolarHBondContact O-N 3.34Å; Y974-L976 VanDerWaalsContact O-N 3.15Å; L976-R978 PolarHBondContact O-N 3.26Å; L976-L979 VanDerWaalsContact O-CB 3.27Å; L976-L979 WeakPolarHBondContact O-CB 3.49Å; L976-L979 PolarHBondContact O-N 3.29Å
977	T	96.9	Very high	79.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-61	-34.6	-172.9	-50.9	0	0	0	0	111.6	V952 L955 D958 Y974 L979 L980	V952-T977 HydrophobicContact CG1-CG2 4.35Å; V952-T977 HydrophobicContact CG2-CG2 3.78Å; L955-T977 HydrophobicContact CD2-CG2 4.08Å; D958-T977 WeakPolarHBondContact OD2-CB 3.15Å; D958-T977 PolarHBondContact OD2-N 3.17Å; D958-T977 PolarHBondContact OD2-OG1 3.24Å; Y974-T977 PolarHBondContact O-N 2.98Å; T977-L979 PolarHBondContact O-N 2.93Å; T977-L980 VanDerWaalsContact O-CB 3.29Å; T977-L980 WeakPolarHBondContact O-CB 3.35Å; T977-L980 VanDerWaalsContact O-CG 3.31Å; T977-L980 WeakPolarHBondContact O-CG 3.42Å; T977-L980 PolarHBondContact O-N 3.28Å; T977-L980 VanDerWaalsContact O-N 3.1Å
978	R	94.8	Very high	80.9	Confident	62 Å²	62	62.7 Å²	62.7	23%	0.234	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-65.5	-23.1	179.1	-162.7	-165.9	-56.4	-161.1	-7.2	112.7	E642 L645 K973 Y974 L976 L980 K981	E642-R978 IonicContact OE2-NH2 3.23Å; L645-R978 HydrophobicContact CD2-CB 3.96Å; L645-R978 HydrophobicContact CD2-CG 4.04Å; K973-R978 PolarHBondContact O-NE 3.1Å; K973-R978 VanDerWaalsContact O-NE 3.07Å; K973-R978 PolarHBondContact O-NH2 2.01Å; Y974-R978 WeakPolarHBondContact O-CB 3.35Å; Y974-R978 PolarHBondContact O-N 2.98Å; L976-R978 PolarHBondContact O-N 3.26Å; R978-L980 PolarHBondContact O-N 2.83Å; R978-K981 HydrophobicContact CG-CD 3.98Å; R978-K981 VanDerWaalsContact O-CB 3.32Å; R978-K981 WeakPolarHBondContact O-CB 3.32Å; R978-K981 WeakPolarHBondContact O-CG 3.11Å; R978-K981 PolarHBondContact O-N 3.34Å; R978-K981 VanDerWaalsContact O-N 3.07Å
979	L	95.1	Very high	82	Confident	44 Å²	44	61.4 Å²	61.4	23%	0.23	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-62.2	-23.2	174.8	-64.8	170.5	0	0	0	112.1	E932 F935 I939 L976 T977 K981 A982	E932-L979 HydrophobicContact CB-CD1 4.09Å; E932-L979 HydrophobicContact CG-CD1 4.31Å; F935-L979 HydrophobicContact CB-CD1 3.55Å; F935-L979 HydrophobicContact CD1-CD1 4.48Å; F935-L979 HydrophobicContact CG-CD1 4.4Å; I939-L979 HydrophobicContact CD1-CB 3.62Å; I939-L979 WeakPolarHBondContact CD1-O 3.46Å; L976-L979 VanDerWaalsContact O-CB 3.27Å; L976-L979 WeakPolarHBondContact O-CB 3.49Å; L976-L979 PolarHBondContact O-N 3.29Å; T977-L979 PolarHBondContact O-N 2.93Å; L979-K981 PolarHBondContact O-N 2.86Å; L979-A982 VanDerWaalsContact O-CB 3.29Å; L979-A982 WeakPolarHBondContact O-CB 3.42Å; L979-A982 PolarHBondContact O-N 3.44Å
980	L	95.1	Very high	84.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-55.6	-24.3	172.6	-64.9	-164.2	0	0	0	113.1	R619 L857 I939 A950 V952 T977 R978 A982 L983	R619-L980 HydrophobicContact CB-CB 4.32Å; R619-L980 HydrophobicContact CB-CD1 4.21Å; R619-L980 WeakPolarHBondContact CD-O 3.5Å; R619-L980 HydrophobicContact CG-CB 4.22Å; L857-L980 HydrophobicContact CD1-CD2 3.86Å; I939-L980 HydrophobicContact CD1-CD2 4.27Å; A950-L980 HydrophobicContact CB-CD2 3.63Å; V952-L980 HydrophobicContact CG1-CD1 4.12Å; V952-L980 HydrophobicContact CG1-CG 4.42Å; T977-L980 VanDerWaalsContact O-CB 3.29Å; T977-L980 WeakPolarHBondContact O-CB 3.35Å; T977-L980 VanDerWaalsContact O-CG 3.31Å; T977-L980 WeakPolarHBondContact O-CG 3.42Å; T977-L980 PolarHBondContact O-N 3.28Å; T977-L980 VanDerWaalsContact O-N 3.1Å; R978-L980 PolarHBondContact O-N 2.83Å; L980-A982 PolarHBondContact O-N 2.96Å; L980-L983 HydrophobicContact CD2-CD1 4.32Å; L980-L983 WeakPolarHBondContact O-CB 3.26Å; L980-L983 PolarHBondContact O-N 3.02Å
981	K	92.3	Very high	85.6	Confident	69 Å²	69	55.7 Å²	55.7	30%	0.3	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-59.8	-27.3	174.9	-68.7	-179.3	176.2	178.5	0	112.4	E642 G644 R978 L979 L983 N984	E642-K981 IonicContact OE1-NZ 3.93Å; G644-K981 WeakPolarHBondContact O-CE 3.43Å; R978-K981 HydrophobicContact CG-CD 3.98Å; R978-K981 VanDerWaalsContact O-CB 3.32Å; R978-K981 WeakPolarHBondContact O-CB 3.32Å; R978-K981 WeakPolarHBondContact O-CG 3.11Å; R978-K981 PolarHBondContact O-N 3.34Å; R978-K981 VanDerWaalsContact O-N 3.07Å; L979-K981 PolarHBondContact O-N 2.86Å; K981-L983 PolarHBondContact O-N 3.34Å; K981-N984 PolarHBondContact O-N 3.35Å
982	A	89.8	Confident	87	Confident	42 Å²	42	52.1 Å²	52.1	35%	0.347	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65	-23.5	178.1	0	0	0	0	0	113.4	I939 L979 L980 N984 N985	I939-A982 HydrophobicContact CG2-CB 4.25Å; L979-A982 VanDerWaalsContact O-CB 3.29Å; L979-A982 WeakPolarHBondContact O-CB 3.42Å; L979-A982 PolarHBondContact O-N 3.44Å; L980-A982 PolarHBondContact O-N 2.96Å; A982-N984 PolarHBondContact O-N 2.86Å; A982-N985 PolarHBondContact O-N 3.02Å
983	L	88.1	Confident	87.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-59.3	-29.2	176.5	-71.7	168.3	0	0	0	113	F617 R619 I939 I942 I943 A950 L980 K981	F617-L983 HydrophobicContact CB-CB 3.77Å; F617-L983 HydrophobicContact CB-CD1 4.46Å; F617-L983 HydrophobicContact CB-CD2 4.43Å; F617-L983 HydrophobicContact CB-CG 4.46Å; F617-L983 HydrophobicContact CD1-CD2 4.27Å; F617-L983 HydrophobicContact CD2-CB 4.49Å; F617-L983 WeakPolarHBondContact CD2-O 3.47Å; F617-L983 HydrophobicContact CG-CB 4.2Å; F617-L983 HydrophobicContact CG-CD2 4.33Å; R619-L983 HydrophobicContact CG-CD1 4.15Å; I939-L983 HydrophobicContact CG2-CD2 3.91Å; I939-L983 HydrophobicContact CG2-CG 4.08Å; I942-L983 HydrophobicContact CB-CD2 4.31Å; I942-L983 HydrophobicContact CG2-CD2 3.77Å; I943-L983 HydrophobicContact CD1-CD2 4.31Å; I943-L983 HydrophobicContact CG1-CD2 3.86Å; A950-L983 HydrophobicContact CB-CD1 3.89Å; L980-L983 HydrophobicContact CD2-CD1 4.32Å; L980-L983 WeakPolarHBondContact O-CB 3.26Å; L980-L983 PolarHBondContact O-N 3.02Å; K981-L983 PolarHBondContact O-N 3.34Å
984	N	77.9	Confident	87	Confident	63 Å²	63	44.7 Å²	44.7	34%	0.337	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-102.9	8.3	-177.6	-70.8	-29.7	0	0	0	113.7	F617 R619 K981 A982 V986	F617-N984 PolarHBondContact N-OD1 3.05Å; R619-N984 PolarHBondContact NE-ND2 3.04Å; K981-N984 PolarHBondContact O-N 3.35Å; A982-N984 PolarHBondContact O-N 2.86Å; N984-V986 VanDerWaalsContact C-N 3.34Å
985	N	64.9	Low	86.3	Confident	141 Å²	141	48.4 Å²	48.4	75%	0.754	27%	0.265	S	S	*	.			trans	-94.8	14.5	174.8	-71.7	-16.3	0	0	0	112.9	A982	A982-N985 PolarHBondContact O-N 3.02Å
986	V	50.7	Low	85.6	Confident	144 Å²	144	51.5 Å²	51.5	87%	0.873	28%	0.28	S	S	*	.			trans	-100.9	0	-174.7	-170.1	0	0	0	0	111.9	I943 N984	I943-V986 HydrophobicContact CD1-CG2 3.66Å; I943-V986 HydrophobicContact CG1-CG2 4.06Å; I943-V986 HydrophobicContact CG2-CB 4.48Å; I943-V986 HydrophobicContact CG2-CG1 3.93Å; I943-V986 HydrophobicContact CG2-CG2 3.87Å; N984-V986 VanDerWaalsContact C-N 3.34Å

Retrieved 986 of 986 residues in 1340.6 ms (Link to these results)

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