A0A077ZH63_TRITR Loading...

Polyphosphoinositide phosphatase

AlphaFold DB , UniProt , Accession A0A077ZH63, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 850 aa.

						>A0A077ZH63_TRITR|A0A077ZH63
MFKTETSSLSNFAFVKALSQLNLHILLFRTKNLRFCGEFRISFQKEIISTLEGCVTKKPSALFLPTLDRPSTGLVCPVECYGILGVVRFLFGHYILLVTKASPLTDIGYHAIFKVEETAALYIPAEVCKSSEELKYLRMFQSVLFLPNFHFSYTYDLSRTLQSNVLEPTKEWHERFVWNTYLLEPLIRAGLSPQWLLPVVHGFVGFFPINLPSHRLRLVLIARRSKKFAGPRFMKRGANCDGDAANEVETEQVVFSRSVPSFKTGQFASFVQLRGSVPLIWSQDVSKVVGKPPIQIDLADPFACIAASHFRNLLGRYEHPIVVINLVKRRERRVREGILHEEFKAAVSYLNQFVDPVKAVRYLSFDMARCHKGGDSLAKLEEISSQVLRLNGWFQTFRIPFCLRNRPCGLFDKYNIDLNNGALMIQRGVPRTNCVDCLDRTNVAQFVAGKAALACQLYCMGIIEQPYLNFDHELCRVLESLYDEHGDALAMQYAGSQLVHSIKTYKKTAHLQERSRDVIQTLSRYYSNNFVDFDKQNALNLFLGIFHPLVSKLPTQPRELLGCQREGRAANFDADYCAWFEKQPSDKEAISIVSNVVDSFSPVPDAHSLAVSYYYKIMDLTEFDEIMGRSYRWISTVCHSTDSRTPSILLWWKKRQAKGKENSKDDYGRSQECRFAVYDKKKNNEETSSDEETAKSDYEIVYQSEWDTPTVEEASTAVRRKISSKTSQLPSRLLVSTMSYYGFELHSPCRADLRKYELYAALDKWTGQQGETETIGSTLKLAGFHYIPTPLNDYGVDSCNKVQQPVVPAKSIEIYSRAALCNTSSKPSDVDVTVYLRAALCSELVKTYSN
					

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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	27.4	Very low	28.4	Very low	233 Å²	233	135.5 Å²	135.5	100%	1.148	72%	0.72	S	S	*	*				0	48.7	0	-145.9	-176.4	-153	0	0	110.3	K3	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.73Å; M1-K3 VanDerWaalsContact O-N 3.07Å
2	F	30.7	Very low	28.5	Very low	222 Å²	222	137.7 Å²	137.7	97%	0.974	72%	0.719	S	S	*	*			trans	-87.5	78.4	177.8	-78.7	-79.9	0	0	0	109.5
3	K	23.4	Very low	28.6	Very low	190 Å²	190	130.9 Å²	130.9	83%	0.826	70%	0.695	S	S	*	*			trans	-84.3	119.2	150.2	-88.2	-180	172.3	178.9	0	105.5	M1	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.73Å; M1-K3 VanDerWaalsContact O-N 3.07Å
4	T	25.9	Very low	29.1	Very low	125 Å²	125	125.1 Å²	125.1	77%	0.767	66%	0.661	S	S	*	*				162	138.6	127.1	42	0	0	0	0	110.5
5	E	25.9	Very low	29.5	Very low	173 Å²	173	120 Å²	120	81%	0.808	64%	0.637	S	S	*	*			trans	76.9	68.7	156	-66.7	171	-164	0	0	119.2
6	T	27.1	Very low	29.5	Very low	105 Å²	105	120.9 Å²	120.9	64%	0.644	63%	0.634	S	S	*	*			trans	-138.4	49.8	156	48.5	0	0	0	0	112.2	S10	T6-S10 PolarHBondContact O-OG 3.26Å
7	S	32.4	Very low	29.5	Very low	100 Å²	100	115.5 Å²	115.5	70%	0.699	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-22	174.6	54.9	0	0	0	0	113.9
8	S	29.5	Very low	29.8	Very low	82 Å²	82	111.7 Å²	111.7	57%	0.573	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-35.7	179.9	61.2	0	0	0	0	113.8
9	L	27.7	Very low	29.8	Very low	116 Å²	116	110.3 Å²	110.3	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-73.5	-29	-175.7	-85.3	148.4	0	0	0	113.9	N11 F12 A13	L9-N11 VanDerWaalsContact C-N 3.34Å; L9-N11 PolarHBondContact O-N 3.29Å; L9-F12 PolarHBondContact O-N 3.13Å; L9-A13 PolarHBondContact O-N 3.2Å
10	S	32.8	Very low	29.6	Very low	59 Å²	59	112.4 Å²	112.4	41%	0.413	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-34.5	178.7	53.6	0	0	0	0	112.7	T6 F14	T6-S10 PolarHBondContact O-OG 3.26Å; S10-F14 VanDerWaalsContact O-CB 3.3Å; S10-F14 WeakPolarHBondContact O-CB 3.25Å; S10-F14 PolarHBondContact O-N 3.35Å
11	N	29.9	Very low	29.4	Very low	86 Å²	86	111.9 Å²	111.9	46%	0.46	59%	0.593	S	S	.	*	H	α-helix	trans	-70.9	-39.9	174.7	-73.4	-21.5	0	0	0	112.1	L9 V15	L9-N11 VanDerWaalsContact C-N 3.34Å; L9-N11 PolarHBondContact O-N 3.29Å; N11-V15 WeakPolarHBondContact O-CG2 3.41Å; N11-V15 PolarHBondContact O-N 3.47Å
12	F	29.2	Very low	29.2	Very low	161 Å²	161	107.8 Å²	107.8	71%	0.706	58%	0.576	S	S	*	*	H	α-helix	trans	-73.1	-40.5	-175.3	-114.6	-86.7	0	0	0	113.4	L9 K16	L9-F12 PolarHBondContact O-N 3.13Å; F12-K16 WeakPolarHBondContact O-CB 3.4Å; F12-K16 PolarHBondContact O-N 3.42Å
13	A	29.9	Very low	29	Very low	50 Å²	50	102.7 Å²	102.7	41%	0.413	56%	0.558	S	S	.	*	H	α-helix	trans	-71.7	-30.1	178.1	0	0	0	0	0	112.6	L9	L9-A13 PolarHBondContact O-N 3.2Å
14	F	35.3	Very low	28.8	Very low	49 Å²	49	101.9 Å²	101.9	22%	0.215	56%	0.557	C	S	.	*	H	α-helix	trans	-66.2	-42.1	175.9	175.9	-91.9	0	0	0	111.6	S10 L18 Q44 I47	S10-F14 VanDerWaalsContact O-CB 3.3Å; S10-F14 WeakPolarHBondContact O-CB 3.25Å; S10-F14 PolarHBondContact O-N 3.35Å; F14-L18 HydrophobicContact CE1-CD1 4.27Å; F14-Q44 HydrophobicContact CB-CG 3.92Å; F14-Q44 HydrophobicContact CD2-CB 4.08Å; F14-Q44 HydrophobicContact CD2-CG 3.88Å; F14-Q44 HydrophobicContact CG-CG 4.39Å; F14-I47 HydrophobicContact CE2-CD1 3.75Å; F14-I47 HydrophobicContact CZ-CB 4.38Å; F14-I47 HydrophobicContact CZ-CD1 3.45Å; F14-I47 VanDerWaalsContact CZ-CD1 3.45Å; F14-I47 HydrophobicContact CZ-CG1 4.44Å
15	V	35.8	Very low	28.7	Very low	49 Å²	49	101.8 Å²	101.8	30%	0.297	55%	0.551	S	S	.	*	H	α-helix	trans	-78.7	-33.5	-175.7	171.5	0	0	0	0	112.4	N11 A17 L18 R188	N11-V15 WeakPolarHBondContact O-CG2 3.41Å; N11-V15 PolarHBondContact O-N 3.47Å; V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 2.98Å; V15-L18 WeakPolarHBondContact O-CB 3.48Å; V15-L18 PolarHBondContact O-N 3Å; V15-R188 WeakPolarHBondContact CG1-O 3.17Å
16	K	29.1	Very low	28.4	Very low	135 Å²	135	100.2 Å²	100.2	59%	0.587	55%	0.547	S	S	*	.	H	α-helix	trans	-72.3	-22.8	-179	-148	176	-173	-179.1	0	113.6	F12 L18 S19	F12-K16 WeakPolarHBondContact O-CB 3.4Å; F12-K16 PolarHBondContact O-N 3.42Å; K16-L18 VanDerWaalsContact C-N 3.33Å; K16-S19 PolarHBondContact O-OG 3.47Å
17	A	30.2	Very low	28	Very low	29 Å²	29	102.1 Å²	102.1	24%	0.24	55%	0.553	C	S	.	*	H	α-helix	trans	-70.4	-28.4	174.7	0	0	0	0	0	112.8	V15 I48	V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 2.98Å; A17-I48 HydrophobicContact CB-CD1 3.98Å
18	L	33.9	Very low	27.4	Very low	46 Å²	46	106 Å²	106	24%	0.241	56%	0.557	C	S	.	*	H	α-helix	trans	-68.9	-33.2	177.4	-75.4	144	0	0	0	112.8	F14 V15 K16 I48 A189	F14-L18 HydrophobicContact CE1-CD1 4.27Å; V15-L18 WeakPolarHBondContact O-CB 3.48Å; V15-L18 PolarHBondContact O-N 3Å; K16-L18 VanDerWaalsContact C-N 3.33Å; L18-I48 HydrophobicContact CB-CD1 4.42Å; L18-I48 HydrophobicContact CD2-CD1 3.9Å; L18-I48 HydrophobicContact CD2-CG1 3.57Å; L18-I48 HydrophobicContact CG-CD1 3.65Å; L18-I48 HydrophobicContact CG-CG1 3.86Å; L18-A189 HydrophobicContact CB-CB 4.45Å; L18-A189 WeakPolarHBondContact CB-O 3.42Å; L18-A189 HydrophobicContact CD1-CB 3.36Å; L18-A189 HydrophobicContact CG-CB 4.29Å
19	S	30.9	Very low	27.1	Very low	86 Å²	86	112.7 Å²	112.7	60%	0.601	57%	0.57	S	S	*	*	H	α-helix	trans	-88.2	-17.9	-175.5	67.1	0	0	0	0	114.7	K16	K16-S19 PolarHBondContact O-OG 3.47Å
20	Q	25.8	Very low	26.9	Very low	151 Å²	151	112.5 Å²	112.5	71%	0.706	57%	0.574	S	S	*	*	S	Bend	trans	-89.6	-1.5	-175.4	-77.1	-166.8	-30.2	0	0	115
21	L	25.6	Very low	26.4	Very low	102 Å²	102	118.9 Å²	118.9	53%	0.534	59%	0.594	S	S	.	*	S	Bend	trans	-95.5	103.5	177.1	-100.5	136.8	0	0	0	110.9	L23	L21-L23 PolarHBondContact O-N 3.41Å
22	N	22.7	Very low	26	Very low	147 Å²	147	121.8 Å²	121.8	79%	0.786	61%	0.61	S	S	*	*			trans	-53.8	95.6	170.8	-82.9	-34.7	0	0	0	110.4	H24	N22-H24 VanDerWaalsContact C-N 3.28Å; N22-H24 PolarHBondContact O-N 3.43Å
23	L	25.6	Very low	25.8	Very low	115 Å²	115	121.2 Å²	121.2	60%	0.602	61%	0.613	S	S	*	*			trans	-69.7	79.8	176	-147.1	89.8	0	0	0	109.4	L21 I25	L21-L23 PolarHBondContact O-N 3.41Å; L23-I25 HydrophobicContact CD2-CD1 3.32Å; L23-I25 HydrophobicContact CD2-CG1 3.77Å; L23-I25 HydrophobicContact CG-CD1 3.95Å; L23-I25 HydrophobicContact CG-CG1 3.87Å; L23-I25 PolarHBondContact O-N 3.37Å
24	H	20.4	Very low	25.3	Very low	174 Å²	174	130.4 Å²	130.4	81%	0.806	64%	0.637	S	S	*	*			trans	-72.8	74.9	169.1	-99.9	-68.6	0	0	0	109.7	N22 L26	N22-H24 VanDerWaalsContact C-N 3.28Å; N22-H24 PolarHBondContact O-N 3.43Å; H24-L26 PolarHBondContact O-N 2.82Å
25	I	22.9	Very low	25	Very low	123 Å²	123	137.4 Å²	137.4	63%	0.631	67%	0.668	S	S	*	*			trans	-80	92.8	167.9	-61.8	-175.7	0	0	0	108	L23 L27	L23-I25 HydrophobicContact CD2-CD1 3.32Å; L23-I25 HydrophobicContact CD2-CG1 3.77Å; L23-I25 HydrophobicContact CG-CD1 3.95Å; L23-I25 HydrophobicContact CG-CG1 3.87Å; L23-I25 PolarHBondContact O-N 3.37Å; I25-L27 PolarHBondContact O-N 3.11Å
26	L	19.3	Very low	24.2	Very low	140 Å²	140	141.3 Å²	141.3	73%	0.733	70%	0.696	S	S	*	*			trans	-78.5	106	159.7	-102.6	153.3	0	0	0	108.1	H24 F28	H24-L26 PolarHBondContact O-N 2.82Å; L26-F28 HydrophobicContact CD2-CD2 4.49Å; L26-F28 HydrophobicContact CD2-CE2 4.35Å; L26-F28 PolarHBondContact O-N 3.26Å
27	L	20.3	Very low	23.9	Very low	144 Å²	144	138.8 Å²	138.8	75%	0.754	71%	0.708	S	S	*	*			trans	-53.1	103.8	167.3	-80.7	157.8	0	0	0	110.2	I25	I25-L27 PolarHBondContact O-N 3.11Å
28	F	19.8	Very low	23.4	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.803	74%	0.735	S	S	*	*			trans	-138.7	128.5	155.9	-90.3	-79	0	0	0	112.9	L26	L26-F28 HydrophobicContact CD2-CD2 4.49Å; L26-F28 HydrophobicContact CD2-CE2 4.35Å; L26-F28 PolarHBondContact O-N 3.26Å
29	R	22.1	Very low	22.9	Very low	222 Å²	222	152.9 Å²	152.9	84%	0.838	77%	0.765	S	S	*	*			trans	-29.7	147.7	158.1	-79.7	172.8	164.2	170.7	-5.3	113.6
30	T	23.5	Very low	22.3	Very low	112 Å²	112	159.3 Å²	159.3	69%	0.687	78%	0.776	S	S	*	*	S	Bend	trans	67.3	124.6	146.1	53.5	0	0	0	0	120
31	K	22.4	Very low	22.1	Very low	192 Å²	192	159.5 Å²	159.5	84%	0.835	78%	0.78	S	S	*	*	S	Bend	trans	53.4	121.6	150.7	-71.3	-175.5	176.8	178.7	0	119
32	N	21.8	Very low	22	Very low	148 Å²	148	158.1 Å²	158.1	79%	0.791	78%	0.78	S	S	*	*			trans	75.8	97.5	154.4	-58	-25.7	0	0	0	117.7
33	L	24.4	Very low	22.5	Very low	149 Å²	149	156.3 Å²	156.3	78%	0.78	77%	0.765	S	S	*	*			trans	-135.9	136.7	157.3	-74.6	169.3	0	0	0	110.7
34	R	19.8	Very low	22.9	Very low	242 Å²	242	153.4 Å²	153.4	91%	0.913	75%	0.748	S	S	*	*			trans	-117.9	148.9	176.6	-72.2	-179.3	174.9	-179.9	-1.7	107.9
35	F	28.4	Very low	23.6	Very low	197 Å²	197	152.4 Å²	152.4	86%	0.864	74%	0.741	S	S	*	*			trans	-143.8	148.1	173.1	-105.1	-87.6	0	0	0	113.8
36	C	20	Very low	24.3	Very low	131 Å²	131	150.2 Å²	150.2	89%	0.885	73%	0.729	S	S	*	*			trans	-122.4	141.7	174.9	-71.9	0	0	0	0	108.8
37	G	21.8	Very low	25.3	Very low	82 Å²	82	144.5 Å²	144.5	85%	0.845	70%	0.698	S	S	*	*			trans	-176	120.9	169.9	0	0	0	0	0	113.4
38	E	19.7	Very low	26.3	Very low	173 Å²	173	138.1 Å²	138.1	81%	0.808	67%	0.665	S	S	*	*			trans	-77.9	151	166.4	-66.3	175.9	149	0	0	110.3
39	F	23.1	Very low	27.2	Very low	197 Å²	197	133.2 Å²	133.2	86%	0.864	65%	0.654	S	S	*	*				160.8	163.3	124.8	-103	-93.2	0	0	0	115.7
40	R	18.5	Very low	28.1	Very low	222 Å²	222	124.2 Å²	124.2	84%	0.838	62%	0.623	S	S	*	*			trans	-95.8	150.5	-169.8	-136.7	176.5	-178.1	175.4	-0.6	112
41	I	21.6	Very low	28.9	Very low	154 Å²	154	120.3 Å²	120.3	79%	0.79	60%	0.598	S	S	*	*			trans	87.8	119.9	158.2	-52	170.2	0	0	0	119.1
42	S	24.6	Very low	29.6	Very low	74 Å²	74	116.3 Å²	116.3	52%	0.517	58%	0.582	S	S	.	*			trans	93.7	107.5	161.2	-163.2	0	0	0	0	118.8	Q44 K45	S42-Q44 PolarHBondContact O-N 3.01Å; S42-K45 PolarHBondContact O-N 3.18Å; S42-K45 VanDerWaalsContact O-N 3.08Å
43	F	33.7	Very low	30.3	Very low	108 Å²	108	111.7 Å²	111.7	47%	0.474	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-39	-23.5	-179.6	-137.1	-102.6	0	0	0	117	K45 E46 P124	F43-K45 VanDerWaalsContact C-N 3.34Å; F43-E46 WeakPolarHBondContact CD2-OE2 3.45Å; F43-P124 HydrophobicContact CZ-CB 3.91Å; F43-P124 HydrophobicContact CZ-CG 3.92Å
44	Q	34.2	Very low	30.9	Very low	54 Å²	54	105.8 Å²	105.8	25%	0.252	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.6	-179.5	-63.4	178.4	-29.4	0	0	113.2	F14 S42 I48	F14-Q44 HydrophobicContact CB-CG 3.92Å; F14-Q44 HydrophobicContact CD2-CB 4.08Å; F14-Q44 HydrophobicContact CD2-CG 3.88Å; F14-Q44 HydrophobicContact CG-CG 4.39Å; S42-Q44 PolarHBondContact O-N 3.01Å; Q44-I48 WeakPolarHBondContact O-CD1 3.4Å
45	K	33.4	Very low	31.4	Very low	153 Å²	153	98.6 Å²	98.6	67%	0.665	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-13.2	176.7	-73.7	-176.1	174.6	-177.6	0	113.7	S42 F43 S49	S42-K45 PolarHBondContact O-N 3.18Å; S42-K45 VanDerWaalsContact O-N 3.08Å; F43-K45 VanDerWaalsContact C-N 3.34Å; K45-S49 WeakPolarHBondContact O-CB 3.27Å; K45-S49 PolarHBondContact O-N 2.85Å
46	E	37.3	Very low	31.5	Very low	78 Å²	78	94.3 Å²	94.3	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-47.1	-175.7	-83.9	175.7	159.8	0	0	112.8	F43 I48 T50	F43-E46 WeakPolarHBondContact CD2-OE2 3.45Å; E46-I48 PolarHBondContact O-N 3.37Å; E46-T50 VanDerWaalsContact O-CB 3.27Å; E46-T50 WeakPolarHBondContact O-CB 3.25Å; E46-T50 PolarHBondContact O-N 3.36Å; E46-T50 PolarHBondContact O-OG1 3.06Å
47	I	40.7	Very low	32	Very low	19 Å²	19	96 Å²	96	10%	0.097	51%	0.506	C	S	.	.	H	α-helix	trans	-66.6	-40.2	179.3	-68.2	166	0	0	0	110.9	F14 T50 L51 I123	F14-I47 HydrophobicContact CE2-CD1 3.75Å; F14-I47 HydrophobicContact CZ-CB 4.38Å; F14-I47 HydrophobicContact CZ-CD1 3.45Å; F14-I47 VanDerWaalsContact CZ-CD1 3.45Å; F14-I47 HydrophobicContact CZ-CG1 4.44Å; I47-T50 PolarHBondContact O-N 3.26Å; I47-L51 HydrophobicContact CG2-CD1 3.75Å; I47-L51 HydrophobicContact CG2-CG 4.5Å; I47-L51 WeakPolarHBondContact O-CB 3.11Å; I47-L51 VanDerWaalsContact O-CG 3.31Å; I47-L51 WeakPolarHBondContact O-CG 3.02Å; I47-L51 PolarHBondContact O-N 3.43Å; I47-I123 HydrophobicContact CD1-CD1 3.49Å; I47-I123 VanDerWaalsContact CD1-CD1 3.49Å; I47-I123 HydrophobicContact CD1-CG2 4.02Å; I47-I123 HydrophobicContact CG1-CD1 3.82Å; I47-I123 HydrophobicContact CG1-CG2 3.7Å
48	I	41.1	Very low	32.3	Very low	11 Å²	11	100.5 Å²	100.5	6%	0.056	50%	0.502	C	S	.	.	H	α-helix	trans	-67.3	-50.8	-178.9	-55.3	177.7	0	0	0	110.2	A17 L18 Q44 E46 T50 L51 E52	A17-I48 HydrophobicContact CB-CD1 3.98Å; L18-I48 HydrophobicContact CB-CD1 4.42Å; L18-I48 HydrophobicContact CD2-CD1 3.9Å; L18-I48 HydrophobicContact CD2-CG1 3.57Å; L18-I48 HydrophobicContact CG-CD1 3.65Å; L18-I48 HydrophobicContact CG-CG1 3.86Å; Q44-I48 WeakPolarHBondContact O-CD1 3.4Å; E46-I48 PolarHBondContact O-N 3.37Å; I48-T50 VanDerWaalsContact C-N 3.28Å; I48-T50 PolarHBondContact O-N 3.16Å; I48-L51 PolarHBondContact O-N 2.72Å; I48-L51 VanDerWaalsContact O-N 3.13Å; I48-E52 HydrophobicContact CG2-CG 3.91Å; I48-E52 WeakPolarHBondContact CG2-OE1 3.41Å; I48-E52 VanDerWaalsContact O-CB 3.29Å; I48-E52 WeakPolarHBondContact O-CB 3.47Å; I48-E52 VanDerWaalsContact O-CG 3.28Å; I48-E52 WeakPolarHBondContact O-CG 3.43Å; I48-E52 PolarHBondContact O-N 3.31Å
49	S	39.5	Very low	33.2	Very low	80 Å²	80	97 Å²	97	56%	0.559	49%	0.494	S	S	*	.	H	α-helix	trans	-56.3	-41.4	174.4	170.4	0	0	0	0	112.2	K45 G53	K45-S49 WeakPolarHBondContact O-CB 3.27Å; K45-S49 PolarHBondContact O-N 2.85Å; S49-G53 PolarHBondContact O-N 2.73Å
50	T	40.2	Very low	33.9	Very low	33 Å²	33	89.1 Å²	89.1	20%	0.202	46%	0.464	C	S	.	.	H	α-helix	trans	-64.2	-39.8	177.5	-58.1	0	0	0	0	111.8	E46 I47 I48 C54 L64 P65	E46-T50 VanDerWaalsContact O-CB 3.27Å; E46-T50 WeakPolarHBondContact O-CB 3.25Å; E46-T50 PolarHBondContact O-N 3.36Å; E46-T50 PolarHBondContact O-OG1 3.06Å; I47-T50 PolarHBondContact O-N 3.26Å; I48-T50 VanDerWaalsContact C-N 3.28Å; I48-T50 PolarHBondContact O-N 3.16Å; T50-C54 PolarHBondContact O-SG 2.76Å; T50-L64 HydrophobicContact CG2-CD2 4.14Å; T50-P65 HydrophobicContact CG2-CG 3.87Å; T50-P65 WeakPolarHBondContact O-CD 3.1Å
51	L	41.1	Very low	34.7	Very low	30 Å²	30	79.4 Å²	79.4	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-81.3	-35.9	179.7	-70.6	168.8	0	0	0	113.1	I47 I48 G53 C54 L64 I83	I47-L51 HydrophobicContact CG2-CD1 3.75Å; I47-L51 HydrophobicContact CG2-CG 4.5Å; I47-L51 WeakPolarHBondContact O-CB 3.11Å; I47-L51 VanDerWaalsContact O-CG 3.31Å; I47-L51 WeakPolarHBondContact O-CG 3.02Å; I47-L51 PolarHBondContact O-N 3.43Å; I48-L51 PolarHBondContact O-N 2.72Å; I48-L51 VanDerWaalsContact O-N 3.13Å; L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 3.43Å; L51-C54 WeakPolarHBondContact O-CB 3.48Å; L51-C54 PolarHBondContact O-SG 2.83Å; L51-C54 VanDerWaalsContact O-SG 3.41Å; L51-L64 HydrophobicContact CD2-CD2 3.81Å; L51-I83 HydrophobicContact CD2-CD1 3.82Å
52	E	37.4	Very low	35.5	Very low	107 Å²	107	72.8 Å²	72.8	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-68.9	-26.8	179.2	-75.5	179	168	0	0	112.5	I48 C54	I48-E52 HydrophobicContact CG2-CG 3.91Å; I48-E52 WeakPolarHBondContact CG2-OE1 3.41Å; I48-E52 VanDerWaalsContact O-CB 3.29Å; I48-E52 WeakPolarHBondContact O-CB 3.47Å; I48-E52 VanDerWaalsContact O-CG 3.28Å; I48-E52 WeakPolarHBondContact O-CG 3.43Å; I48-E52 PolarHBondContact O-N 3.31Å; E52-C54 VanDerWaalsContact C-N 3.33Å; E52-C54 PolarHBondContact O-N 2.76Å
53	G	36.2	Very low	35.9	Very low	51 Å²	51	71 Å²	71	53%	0.526	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	3.1	178.7	0	0	0	0	0	116.4	S49 L51 V55	S49-G53 PolarHBondContact O-N 2.73Å; L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 3.43Å; G53-V55 PolarHBondContact O-N 3.32Å
54	C	36.9	Very low	36.1	Very low	25 Å²	25	66 Å²	66	17%	0.169	36%	0.358	C	S	.	.			trans	-78	103.3	-171.4	-71.8	0	0	0	0	113.5	T50 L51 E52 L62 F63	T50-C54 PolarHBondContact O-SG 2.76Å; L51-C54 WeakPolarHBondContact O-CB 3.48Å; L51-C54 PolarHBondContact O-SG 2.83Å; L51-C54 VanDerWaalsContact O-SG 3.41Å; E52-C54 VanDerWaalsContact C-N 3.33Å; E52-C54 PolarHBondContact O-N 2.76Å; C54-L62 HydrophobicContact CB-CD1 3.5Å; C54-L62 VanDerWaalsContact CB-CD1 3.5Å; C54-L62 HydrophobicContact CB-CG 4.41Å; C54-F63 PolarHBondContact SG-O 3.32Å
55	V	31.1	Very low	36	Very low	92 Å²	92	65 Å²	65	56%	0.558	36%	0.357	S	S	*	.			trans	-91.6	123.9	178.9	176.7	0	0	0	0	111.8	G53 K57 F63	G53-V55 PolarHBondContact O-N 3.32Å; V55-K57 PolarHBondContact O-N 2.82Å; V55-F63 WeakPolarHBondContact O-CD2 3.4Å
56	T	29.4	Very low	36	Very low	107 Å²	107	59.8 Å²	59.8	66%	0.656	34%	0.337	S	S	*	.			trans	-75.8	120.2	175.4	49.4	0	0	0	0	112.8
57	K	30.9	Very low	35.7	Very low	167 Å²	167	62.1 Å²	62.1	73%	0.726	35%	0.352	S	S	*	.	S	Bend	trans	-117.8	93.3	155.3	-92.3	-173.5	176	177.4	0	107.9	V55 F63	V55-K57 PolarHBondContact O-N 2.82Å; K57-F63 HydrophobicContact CB-CE2 4.16Å; K57-F63 HydrophobicContact CB-CZ 4.31Å
58	K	28.6	Very low	35.2	Very low	175 Å²	175	67.1 Å²	67.1	76%	0.761	38%	0.379	S	S	*	.	S	Bend	trans	100.2	143	-176.5	-65.3	178.4	175.1	177.7	0	114	S60 A61	K58-S60 PolarHBondContact O-N 3.01Å; K58-A61 PolarHBondContact O-N 3.24Å
59	P	37.6	Very low	34.7	Very low	99 Å²	99	76.8 Å²	76.8	64%	0.643	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	14	-171.2	27.3	-35.9	0	0	0	115.5
60	S	38.8	Very low	34.8	Very low	32 Å²	32	79.6 Å²	79.6	22%	0.224	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	7.4	-173.8	-45.5	0	0	0	0	114.6	K58	K58-S60 PolarHBondContact O-N 3.01Å
61	A	34.5	Very low	34.5	Very low	19 Å²	19	81.9 Å²	81.9	16%	0.157	45%	0.448	C	S	.	.			trans	-125.9	116.1	-179.6	0	0	0	0	0	110.8	K58 F63 C80	K58-A61 PolarHBondContact O-N 3.24Å; A61-F63 HydrophobicContact CB-CE2 4.04Å; A61-F63 HydrophobicContact CB-CZ 4.31Å; A61-C80 CarbonylContact C-O 3.52Å; A61-C80 WeakPolarHBondContact CA-O 3.44Å
62	L	38.6	Very low	34.3	Very low	14 Å²	14	88.1 Å²	88.1	7%	0.073	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	142.2	163.1	-174.3	65.4	0	0	0	108.9	C54 L64 E79 C80 I83 W195	C54-L62 HydrophobicContact CB-CD1 3.5Å; C54-L62 VanDerWaalsContact CB-CD1 3.5Å; C54-L62 HydrophobicContact CB-CG 4.41Å; L62-L64 HydrophobicContact CD2-CD1 4.17Å; L62-L64 HydrophobicContact CD2-CD2 4.3Å; L62-L64 HydrophobicContact CD2-CG 4.06Å; L62-L64 HydrophobicContact CG-CG 4.38Å; L62-E79 CarbonylContact O-C 3.59Å; L62-E79 VanDerWaalsContact O-CA 3.28Å; L62-E79 WeakPolarHBondContact O-CA 3.32Å; L62-C80 VanDerWaalsContact CB-SG 3.6Å; L62-C80 PolarHBondContact N-O 3.09Å; L62-C80 PolarHBondContact O-N 3.35Å; L62-I83 HydrophobicContact CD2-CD1 4.36Å; L62-I83 HydrophobicContact CD2-CG1 4.25Å; L62-W195 HydrophobicContact CD1-CH2 3.38Å; L62-W195 HydrophobicContact CD1-CZ3 3.22Å; L62-W195 HydrophobicContact CD2-CZ3 3.81Å; L62-W195 HydrophobicContact CG-CZ3 4.08Å
63	F	33.5	Very low	34.1	Very low	38 Å²	38	85.2 Å²	85.2	17%	0.167	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	103.1	-179.3	-72.3	-88	0	0	0	109.5	C54 V55 K57 A61 P77 V78 E79	C54-F63 PolarHBondContact SG-O 3.32Å; V55-F63 WeakPolarHBondContact O-CD2 3.4Å; K57-F63 HydrophobicContact CB-CE2 4.16Å; K57-F63 HydrophobicContact CB-CZ 4.31Å; A61-F63 HydrophobicContact CB-CE2 4.04Å; A61-F63 HydrophobicContact CB-CZ 4.31Å; F63-P77 HydrophobicContact CB-CB 3.67Å; F63-P77 HydrophobicContact CD1-CB 3.55Å; F63-P77 HydrophobicContact CD1-CG 3.61Å; F63-P77 HydrophobicContact CE1-CG 4.34Å; F63-P77 HydrophobicContact CG-CB 4.06Å; F63-V78 WeakPolarHBondContact CA-O 3.44Å; F63-E79 HydrophobicContact CD1-CG 4.05Å; F63-E79 HydrophobicContact CE1-CG 3.59Å; F63-E79 WeakPolarHBondContact CE1-OE1 3.46Å; F63-E79 HydrophobicContact CZ-CG 4.12Å
64	L	36.6	Very low	34.3	Very low	2 Å²	2	90.1 Å²	90.1	1%	0.01	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.3	178.8	-72.1	163	0	0	0	111.5	T50 L51 L62 P77 V78 L97 L121	T50-L64 HydrophobicContact CG2-CD2 4.14Å; L51-L64 HydrophobicContact CD2-CD2 3.81Å; L62-L64 HydrophobicContact CD2-CD1 4.17Å; L62-L64 HydrophobicContact CD2-CD2 4.3Å; L62-L64 HydrophobicContact CD2-CG 4.06Å; L62-L64 HydrophobicContact CG-CG 4.38Å; L64-P77 CarbonylContact O-C 2.87Å; L64-P77 VanDerWaalsContact O-CA 3.25Å; L64-P77 WeakPolarHBondContact O-CA 3.41Å; L64-V78 HydrophobicContact CB-CB 4.43Å; L64-V78 PolarHBondContact N-O 3.18Å; L64-V78 PolarHBondContact O-N 2.73Å; L64-L97 HydrophobicContact CD1-CD1 3.36Å; L64-L97 HydrophobicContact CD1-CD2 3.5Å; L64-L97 HydrophobicContact CD1-CG 4.05Å; L64-L121 HydrophobicContact CB-CD1 4.49Å; L64-L121 HydrophobicContact CD1-CD1 4.21Å
65	P	32.9	Very low	34.2	Very low	33 Å²	33	91.2 Å²	91.2	21%	0.214	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.2	177.8	25.3	-28.6	0	0	0	111.9	T50 L74	T50-P65 HydrophobicContact CG2-CG 3.87Å; T50-P65 WeakPolarHBondContact O-CD 3.1Å; P65-L74 HydrophobicContact CB-CB 4.33Å; P65-L74 HydrophobicContact CB-CD2 3.61Å; P65-L74 HydrophobicContact CG-CD2 4.03Å
66	T	32.4	Very low	34.9	Very low	43 Å²	43	91 Å²	91	26%	0.264	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.8	173.5	54.8	0	0	0	0	111	D68 V75 C76 V78	T66-D68 PolarHBondContact O-N 3.07Å; T66-V75 CarbonylContact C-O 3.15Å; T66-V75 PolarHBondContact N-O 3.02Å; T66-V75 PolarHBondContact OG1-O 3.25Å; T66-C76 PolarHBondContact OG1-O 2.99Å; T66-C76 VanDerWaalsContact OG1-O 3.08Å; T66-V78 HydrophobicContact CG2-CG2 3.61Å
67	L	32.9	Very low	36	Very low	128 Å²	128	89.1 Å²	89.1	67%	0.67	50%	0.497	S	S	*	.			trans	-85.3	82.5	-178.8	-77.5	151.2	0	0	0	109.6
68	D	29.4	Very low	37.5	Very low	123 Å²	123	82.7 Å²	82.7	66%	0.658	47%	0.472	S	S	*	.			trans	-136.1	117.8	168.6	-112	-23.6	0	0	0	112.3	T66 V75	T66-D68 PolarHBondContact O-N 3.07Å; D68-V75 WeakPolarHBondContact O-CG2 3.13Å
69	R	30.7	Very low	39.4	Very low	215 Å²	215	80.2 Å²	80.2	81%	0.811	46%	0.463	S	S	*	.	S	Bend	trans	84.6	141	174.8	-60.6	-175.9	177.3	176.1	-0.2	118.5	S71	R69-S71 PolarHBondContact O-N 2.85Å
70	P	40.3	Very low	41.4	Very low	139 Å²	139	75.6 Å²	75.6	90%	0.903	43%	0.433	S	S	*	.	S	Bend	trans	-84	35.1	-169.5	38	-37.1	0	0	0	113.4
71	S	33.9	Very low	43.4	Very low	80 Å²	80	77.6 Å²	77.6	56%	0.559	44%	0.436	S	S	*	.	S	Bend	trans	-90.5	125	161.3	53.3	0	0	0	0	107.2	R69 G73	R69-S71 PolarHBondContact O-N 2.85Å; S71-G73 PolarHBondContact O-N 3.2Å
72	T	38	Very low	45.7	Very low	161 Å²	161	77.3 Å²	77.3	99%	0.988	44%	0.435	S	S	*	.	S	Bend	trans	-62.8	44.9	-169.8	44.5	0	0	0	0	116.3
73	G	33.7	Very low	47.9	Very low	47 Å²	47	76.8 Å²	76.8	49%	0.485	43%	0.432	S	S	.	.	S	Bend	trans	-136.3	145.4	173.7	0	0	0	0	0	111.2	S71 V75	S71-G73 PolarHBondContact O-N 3.2Å; G73-V75 VanDerWaalsContact O-CG2 3.24Å; G73-V75 WeakPolarHBondContact O-CG2 3.46Å; G73-V75 PolarHBondContact O-N 3.15Å; G73-V75 VanDerWaalsContact O-N 3.1Å
74	L	38.8	Very low	50.6	Low	153 Å²	153	75.5 Å²	75.5	80%	0.801	43%	0.427	S	S	*	.			trans	-55.4	112.7	173.1	-66.5	158.5	0	0	0	109.1	P65	P65-L74 HydrophobicContact CB-CB 4.33Å; P65-L74 HydrophobicContact CB-CD2 3.61Å; P65-L74 HydrophobicContact CG-CD2 4.03Å
75	V	36.1	Very low	53.1	Low	49 Å²	49	75.4 Å²	75.4	30%	0.297	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125	-175.3	-177	0	0	0	0	109.9	T66 D68 G73	T66-V75 CarbonylContact C-O 3.15Å; T66-V75 PolarHBondContact N-O 3.02Å; T66-V75 PolarHBondContact OG1-O 3.25Å; D68-V75 WeakPolarHBondContact O-CG2 3.13Å; G73-V75 VanDerWaalsContact O-CG2 3.24Å; G73-V75 WeakPolarHBondContact O-CG2 3.46Å; G73-V75 PolarHBondContact O-N 3.15Å; G73-V75 VanDerWaalsContact O-N 3.1Å
76	C	44.5	Very low	55.7	Low	87 Å²	87	74.5 Å²	74.5	59%	0.588	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.6	100.7	170.5	-143.9	0	0	0	0	116.4	T66 V78	T66-C76 PolarHBondContact OG1-O 2.99Å; T66-C76 VanDerWaalsContact OG1-O 3.08Å; C76-V78 PolarHBondContact O-N 3.43Å
77	P	53.5	Low	58.4	Low	68 Å²	68	72.7 Å²	72.7	44%	0.442	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.8	175.4	34.2	-36.4	0	0	0	110.9	F63 L64 E79	F63-P77 HydrophobicContact CB-CB 3.67Å; F63-P77 HydrophobicContact CD1-CB 3.55Å; F63-P77 HydrophobicContact CD1-CG 3.61Å; F63-P77 HydrophobicContact CE1-CG 4.34Å; F63-P77 HydrophobicContact CG-CB 4.06Å; L64-P77 CarbonylContact O-C 2.87Å; L64-P77 VanDerWaalsContact O-CA 3.25Å; L64-P77 WeakPolarHBondContact O-CA 3.41Å; P77-E79 PolarHBondContact O-N 2.94Å
78	V	61.8	Low	61	Low	32 Å²	32	72.1 Å²	72.1	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.1	173.4	179.4	0	0	0	0	108.4	F63 L64 T66 C76 L97 T99 L121	F63-V78 WeakPolarHBondContact CA-O 3.44Å; L64-V78 HydrophobicContact CB-CB 4.43Å; L64-V78 PolarHBondContact N-O 3.18Å; L64-V78 PolarHBondContact O-N 2.73Å; T66-V78 HydrophobicContact CG2-CG2 3.61Å; C76-V78 PolarHBondContact O-N 3.43Å; V78-L97 HydrophobicContact CG1-CD1 4.1Å; V78-T99 HydrophobicContact CG1-CG2 4.36Å; V78-L121 HydrophobicContact CG2-CD1 4.23Å; V78-L121 HydrophobicContact CG2-CD2 4.34Å
79	E	69.5	Low	63.8	Low	123 Å²	123	66.8 Å²	66.8	58%	0.575	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.8	171.1	-68.7	-173.5	174	0	0	110	L62 F63 P77	L62-E79 CarbonylContact O-C 3.59Å; L62-E79 VanDerWaalsContact O-CA 3.28Å; L62-E79 WeakPolarHBondContact O-CA 3.32Å; F63-E79 HydrophobicContact CD1-CG 4.05Å; F63-E79 HydrophobicContact CE1-CG 3.59Å; F63-E79 WeakPolarHBondContact CE1-OE1 3.46Å; F63-E79 HydrophobicContact CZ-CG 4.12Å; P77-E79 PolarHBondContact O-N 2.94Å
80	C	78.9	Confident	66.5	Low	1 Å²	1	57.6 Å²	57.6	1%	0.007	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.9	174.7	85.2	0	0	0	0	113.3	A61 L62 L97 V98	A61-C80 CarbonylContact C-O 3.52Å; A61-C80 WeakPolarHBondContact CA-O 3.44Å; L62-C80 VanDerWaalsContact CB-SG 3.6Å; L62-C80 PolarHBondContact N-O 3.09Å; L62-C80 PolarHBondContact O-N 3.35Å; C80-L97 HydrophobicContact CB-CB 4.04Å; C80-L97 HydrophobicContact CB-CD1 4.45Å; C80-V98 CarbonylContact C-O 3.57Å; C80-V98 VanDerWaalsContact CA-O 3.25Å; C80-V98 WeakPolarHBondContact CA-O 3.49Å; C80-V98 WeakPolarHBondContact CB-O 3.41Å
81	Y	81.4	Confident	68.5	Low	74 Å²	74	56.2 Å²	56.2	29%	0.29	32%	0.316	S	S	.	.	S	Bend	trans	-81.4	-18.6	178.4	-75.5	-100	0	0	0	113.2	V98 A101 Y153	Y81-V98 PolarHBondContact N-O 3.33Å; Y81-A101 HydrophobicContact CD1-CB 3.75Å; Y81-A101 HydrophobicContact CD2-CB 4.12Å; Y81-A101 HydrophobicContact CE1-CB 4.06Å; Y81-A101 HydrophobicContact CE2-CB 4.44Å; Y81-A101 HydrophobicContact CG-CB 3.77Å; Y81-A101 PolarHBondContact OH-O 2.88Å; Y81-Y153 WeakPolarHBondContact O-CE1 3.18Å; Y81-Y153 PolarHBondContact O-OH 3.36Å
82	G	82.5	Confident	70.7	Confident	13 Å²	13	52.5 Å²	52.5	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	171.3	177.8	0	0	0	0	0	113.3	V98	G82-V98 PolarHBondContact O-N 2.73Å
83	I	85.2	Confident	73	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.2	-177.3	-55.9	173.7	0	0	0	108.8	L51 L62 G85 I95 L97 L186 W195 L197	L51-I83 HydrophobicContact CD2-CD1 3.82Å; L62-I83 HydrophobicContact CD2-CD1 4.36Å; L62-I83 HydrophobicContact CD2-CG1 4.25Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-I95 HydrophobicContact CG2-CG2 4.24Å; I83-L97 HydrophobicContact CG1-CD2 4.03Å; I83-L186 HydrophobicContact CG2-CD1 3.81Å; I83-W195 HydrophobicContact CD1-CE3 4.38Å; I83-L197 WeakPolarHBondContact O-CB 3.38Å
84	L	89.1	Confident	75.4	Confident	11 Å²	11	45.7 Å²	45.7	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-29.1	174	-72.7	174.8	0	0	0	112	L96 V98 T118 L144 N179 L183 V199	L84-L96 HydrophobicContact CB-CB 3.85Å; L84-L96 PolarHBondContact N-O 3.28Å; L84-V98 HydrophobicContact CD1-CG2 3.99Å; L84-V98 HydrophobicContact CD2-CG2 3.6Å; L84-V98 HydrophobicContact CG-CG2 3.59Å; L84-T118 HydrophobicContact CD1-CG2 3.62Å; L84-L144 HydrophobicContact CD1-CD2 4.26Å; L84-N179 PolarHBondContact O-ND2 2.71Å; L84-L183 WeakPolarHBondContact O-CD2 3.34Å; L84-V199 HydrophobicContact CD2-CG1 3.41Å; L84-V199 VanDerWaalsContact CD2-CG1 3.41Å; L84-V199 HydrophobicContact CD2-CG2 4.48Å
85	G	89.6	Confident	77.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-170.5	176.7	0	0	0	0	0	112.4	I83 L96 L182	I83-G85 VanDerWaalsContact C-N 3.31Å; G85-L96 WeakPolarHBondContact O-CB 3.38Å; G85-L96 PolarHBondContact O-N 3.15Å; G85-L182 CarbonylContact C-O 3.51Å; G85-L182 WeakPolarHBondContact CA-O 3.14Å
86	V	88.5	Confident	80.1	Confident	15 Å²	15	36.7 Å²	36.7	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.8	179	178.1	0	0	0	0	108.6	H93 Y94 I95 L182 L186	V86-H93 HydrophobicContact CG1-CB 4.14Å; V86-Y94 WeakPolarHBondContact CA-O 3.37Å; V86-I95 HydrophobicContact CG2-CG1 4.37Å; V86-L182 PolarHBondContact N-O 2.88Å; V86-L186 HydrophobicContact CG2-CD1 4.28Å; V86-L186 HydrophobicContact CG2-CD2 3.65Å; V86-L186 HydrophobicContact CG2-CG 4.05Å
87	V	89.2	Confident	82.1	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146	177.6	66.6	0	0	0	0	110.5	F89 H93 Y94 L96 F140 L182	V87-F89 HydrophobicContact CG1-CE1 4.14Å; V87-F89 HydrophobicContact CG1-CZ 3.92Å; V87-F89 HydrophobicContact CG2-CD1 4.18Å; V87-F89 HydrophobicContact CG2-CE1 3.72Å; V87-F89 HydrophobicContact CG2-CZ 4.35Å; V87-H93 CarbonylContact O-C 3.5Å; V87-H93 WeakPolarHBondContact O-CA 3.42Å; V87-Y94 PolarHBondContact N-O 3.34Å; V87-Y94 PolarHBondContact O-N 2.94Å; V87-L96 HydrophobicContact CB-CD1 4.46Å; V87-L96 HydrophobicContact CG1-CD1 4.03Å; V87-L96 HydrophobicContact CG1-CD2 4.42Å; V87-L96 HydrophobicContact CG1-CG 4.34Å; V87-F140 HydrophobicContact CB-CE2 4.5Å; V87-F140 HydrophobicContact CB-CZ 4.35Å; V87-F140 HydrophobicContact CG1-CE1 4.3Å; V87-F140 HydrophobicContact CG1-CE2 4.46Å; V87-F140 HydrophobicContact CG1-CZ 4.13Å; V87-F140 HydrophobicContact CG2-CE2 4.06Å; V87-F140 HydrophobicContact CG2-CZ 4.41Å; V87-L182 HydrophobicContact CB-CD2 4.04Å; V87-L182 HydrophobicContact CG2-CD2 4.27Å
88	R	87.2	Confident	83.7	Confident	116 Å²	116	29.3 Å²	29.3	44%	0.438	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.3	171.7	-177.1	-177.3	169.5	169.9	-1.7	109
89	F	87.7	Confident	84.8	Confident	10 Å²	10	29.8 Å²	29.8	4%	0.044	14%	0.139	C	C	.	.			trans	-96.7	-112.8	169.7	-51.1	-49.4	0	0	0	109.5	V87 Y94 E133 L137 F140 L541 P548	V87-F89 HydrophobicContact CG1-CE1 4.14Å; V87-F89 HydrophobicContact CG1-CZ 3.92Å; V87-F89 HydrophobicContact CG2-CD1 4.18Å; V87-F89 HydrophobicContact CG2-CE1 3.72Å; V87-F89 HydrophobicContact CG2-CZ 4.35Å; F89-Y94 AromaticContact CD2-CD2 3.85Å; F89-Y94 HydrophobicContact CD2-CD2 3.85Å; F89-Y94 AromaticContact CD2-CE2 3.42Å; F89-Y94 HydrophobicContact CD2-CE2 3.42Å; F89-Y94 VanDerWaalsContact CD2-CE2 3.42Å; F89-Y94 AromaticContact CE2-CD2 3.75Å; F89-Y94 HydrophobicContact CE2-CD2 3.75Å; F89-Y94 AromaticContact CE2-CE2 3.64Å; F89-Y94 HydrophobicContact CE2-CE2 3.64Å; F89-Y94 HydrophobicContact CE2-CG 4.46Å; F89-Y94 HydrophobicContact CG-CE2 4.5Å; F89-E133 WeakPolarHBondContact CB-OE2 3.2Å; F89-L137 HydrophobicContact CE2-CB 4.16Å; F89-L137 HydrophobicContact CE2-CD1 4Å; F89-F140 HydrophobicContact CE1-CB 4.11Å; F89-F140 AromaticContact CE1-CD2 3.83Å; F89-F140 HydrophobicContact CE1-CD2 3.83Å; F89-F140 HydrophobicContact CE1-CE2 4.46Å; F89-F140 HydrophobicContact CE1-CG 4.04Å; F89-F140 HydrophobicContact CZ-CB 3.68Å; F89-F140 HydrophobicContact CZ-CD1 4.23Å; F89-F140 AromaticContact CZ-CD2 3.99Å; F89-F140 HydrophobicContact CZ-CD2 3.99Å; F89-F140 AromaticContact CZ-CG 3.72Å; F89-F140 HydrophobicContact CZ-CG 3.72Å; F89-L541 HydrophobicContact CD1-CD1 4.47Å; F89-L541 HydrophobicContact CE1-CD1 4.49Å; F89-L541 HydrophobicContact CE1-CD2 4.29Å; F89-P548 HydrophobicContact CB-CB 4.41Å; F89-P548 HydrophobicContact CB-CG 4.25Å; F89-P548 HydrophobicContact CD1-CG 4Å
90	L	86.8	Confident	85.6	Confident	23 Å²	23	28.6 Å²	28.6	12%	0.12	13%	0.132	C	C	.	.	S	Bend	trans	-89.9	-48.6	-177.5	-56.8	176.6	0	0	0	111.7	E132 E133 Y136 P548 V550	L90-E132 HydrophobicContact CD1-CB 3.68Å; L90-E133 WeakPolarHBondContact CB-OE2 3.48Å; L90-E133 PolarHBondContact N-OE2 3.3Å; L90-Y136 HydrophobicContact CD1-CD2 4.19Å; L90-Y136 HydrophobicContact CD1-CE2 3.95Å; L90-Y136 HydrophobicContact CD2-CE2 3.99Å; L90-Y136 HydrophobicContact CG-CD2 4.1Å; L90-Y136 HydrophobicContact CG-CE2 3.96Å; L90-P548 HydrophobicContact CD2-CB 3.97Å; L90-V550 HydrophobicContact CD2-CG2 4.08Å
91	F	82.9	Confident	86	Confident	110 Å²	110	28.9 Å²	28.9	48%	0.482	13%	0.134	S	C	.	.	S	Bend	trans	-107	-50.8	-166.7	-56.9	-77.6	0	0	0	113.4	C128 S130 E133	F91-C128 WeakPolarHBondContact CD2-SG 3.23Å; F91-S130 VanDerWaalsContact CE2-CB 3.47Å; F91-E133 HydrophobicContact CD2-CB 3.98Å; F91-E133 HydrophobicContact CD2-CG 4.28Å; F91-E133 WeakPolarHBondContact CD2-OE2 3.45Å; F91-E133 HydrophobicContact CE2-CB 4.21Å; F91-E133 PolarHBondContact N-OE2 2.88Å
92	G	80.9	Confident	86.3	Confident	2 Å²	2	27 Å²	27	2%	0.021	13%	0.132	C	C	.	.			trans	-129.7	169.3	-170.5	0	0	0	0	0	114.1
93	H	84.7	Confident	86.6	Confident	53 Å²	53	30.8 Å²	30.8	25%	0.245	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.6	174.3	-66.5	87.3	0	0	0	110.1	V86 V87 I123	V86-H93 HydrophobicContact CG1-CB 4.14Å; V87-H93 CarbonylContact O-C 3.5Å; V87-H93 WeakPolarHBondContact O-CA 3.42Å; H93-I123 HydrophobicContact CB-CD1 3.59Å; H93-I123 HydrophobicContact CB-CG1 4.4Å; H93-I123 WeakPolarHBondContact O-CG1 3.31Å; H93-I123 PolarHBondContact O-N 3.39Å
94	Y	85.2	Confident	86.8	Confident	11 Å²	11	33 Å²	33	4%	0.043	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.5	171	-62.4	-101.2	0	0	0	108.9	V86 V87 F89 A120 L121 Y122 E133 L137	V86-Y94 WeakPolarHBondContact CA-O 3.37Å; V87-Y94 PolarHBondContact N-O 3.34Å; V87-Y94 PolarHBondContact O-N 2.94Å; F89-Y94 AromaticContact CD2-CD2 3.85Å; F89-Y94 HydrophobicContact CD2-CD2 3.85Å; F89-Y94 AromaticContact CD2-CE2 3.42Å; F89-Y94 HydrophobicContact CD2-CE2 3.42Å; F89-Y94 VanDerWaalsContact CD2-CE2 3.42Å; F89-Y94 AromaticContact CE2-CD2 3.75Å; F89-Y94 HydrophobicContact CE2-CD2 3.75Å; F89-Y94 AromaticContact CE2-CE2 3.64Å; F89-Y94 HydrophobicContact CE2-CE2 3.64Å; F89-Y94 HydrophobicContact CE2-CG 4.46Å; F89-Y94 HydrophobicContact CG-CE2 4.5Å; Y94-A120 HydrophobicContact CD1-CB 4.36Å; Y94-L121 CarbonylContact C-O 3.59Å; Y94-L121 VanDerWaalsContact CA-O 3.23Å; Y94-L121 WeakPolarHBondContact CA-O 3.47Å; Y94-Y122 AromaticContact CD1-CD2 3.76Å; Y94-Y122 HydrophobicContact CD1-CD2 3.76Å; Y94-Y122 HydrophobicContact CD1-CG 4.38Å; Y94-Y122 HydrophobicContact CD2-CD2 4.06Å; Y94-Y122 HydrophobicContact CD2-CE2 4.41Å; Y94-Y122 AromaticContact CE1-CD2 3.32Å; Y94-Y122 HydrophobicContact CE1-CD2 3.32Å; Y94-Y122 HydrophobicContact CE1-CE2 4.14Å; Y94-Y122 AromaticContact CE1-CG 3.94Å; Y94-Y122 HydrophobicContact CE1-CG 3.94Å; Y94-Y122 AromaticContact CE2-CD2 3.62Å; Y94-Y122 HydrophobicContact CE2-CD2 3.62Å; Y94-Y122 AromaticContact CE2-CE2 3.72Å; Y94-Y122 HydrophobicContact CE2-CE2 3.72Å; Y94-Y122 HydrophobicContact CG-CD2 4.11Å; Y94-Y122 AromaticContact CZ-CD2 3.23Å; Y94-Y122 AromaticContact CZ-CE2 3.56Å; Y94-E133 VanDerWaalsContact CE2-OE1 3.24Å; Y94-E133 WeakPolarHBondContact CE2-OE1 3.31Å; Y94-E133 WeakPolarHBondContact OH-CG 3.42Å; Y94-E133 PolarHBondContact OH-OE1 3.46Å; Y94-E133 VanDerWaalsContact OH-OE1 3.09Å; Y94-L137 HydrophobicContact CD1-CD1 4.13Å; Y94-L137 HydrophobicContact CE1-CD1 3.85Å; Y94-L137 HydrophobicContact CE1-CD2 4.1Å
95	I	84.9	Confident	87	Confident	12 Å²	12	32.9 Å²	32.9	6%	0.062	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.9	167.5	-54	-179.1	0	0	0	107.8	I83 V86 L97 A120 L121 I123	I83-I95 HydrophobicContact CG2-CG2 4.24Å; V86-I95 HydrophobicContact CG2-CG1 4.37Å; I95-L97 HydrophobicContact CG2-CD2 3.66Å; I95-L97 HydrophobicContact CG2-CG 4.2Å; I95-A120 CarbonylContact O-C 3.59Å; I95-A120 WeakPolarHBondContact O-CA 3.47Å; I95-L121 HydrophobicContact CB-CB 4.48Å; I95-L121 PolarHBondContact N-O 3.02Å; I95-L121 PolarHBondContact O-N 3.21Å; I95-I123 HydrophobicContact CD1-CD1 3.82Å; I95-I123 HydrophobicContact CD1-CG1 3.94Å; I95-I123 HydrophobicContact CG1-CD1 3.41Å; I95-I123 VanDerWaalsContact CG1-CD1 3.41Å; I95-I123 HydrophobicContact CG1-CG1 3.64Å
96	L	88.7	Confident	86.9	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.3	-179.1	-56	172.4	0	0	0	109	L84 G85 V87 A120 F140 L144 L182	L84-L96 HydrophobicContact CB-CB 3.85Å; L84-L96 PolarHBondContact N-O 3.28Å; G85-L96 WeakPolarHBondContact O-CB 3.38Å; G85-L96 PolarHBondContact O-N 3.15Å; V87-L96 HydrophobicContact CB-CD1 4.46Å; V87-L96 HydrophobicContact CG1-CD1 4.03Å; V87-L96 HydrophobicContact CG1-CD2 4.42Å; V87-L96 HydrophobicContact CG1-CG 4.34Å; L96-A120 HydrophobicContact CD2-CB 3.7Å; L96-F140 HydrophobicContact CD1-CE1 3.46Å; L96-F140 VanDerWaalsContact CD1-CE1 3.46Å; L96-F140 HydrophobicContact CD1-CZ 3.61Å; L96-F140 HydrophobicContact CD2-CE1 3.99Å; L96-F140 HydrophobicContact CG-CE1 4.36Å; L96-L144 HydrophobicContact CD1-CD2 4.38Å; L96-L144 HydrophobicContact CD2-CD1 3.85Å; L96-L182 HydrophobicContact CD1-CD1 3.76Å; L96-L182 HydrophobicContact CD1-CD2 4.26Å; L96-L182 HydrophobicContact CD1-CG 4.45Å
97	L	85.4	Confident	87.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.3	-172.5	-56.1	175	0	0	0	111	L64 V78 C80 I83 I95 T118 A119 L121	L64-L97 HydrophobicContact CD1-CD1 3.36Å; L64-L97 HydrophobicContact CD1-CD2 3.5Å; L64-L97 HydrophobicContact CD1-CG 4.05Å; V78-L97 HydrophobicContact CG1-CD1 4.1Å; C80-L97 HydrophobicContact CB-CB 4.04Å; C80-L97 HydrophobicContact CB-CD1 4.45Å; I83-L97 HydrophobicContact CG1-CD2 4.03Å; I95-L97 HydrophobicContact CG2-CD2 3.66Å; I95-L97 HydrophobicContact CG2-CG 4.2Å; L97-T118 CarbonylContact O-C 3.5Å; L97-T118 WeakPolarHBondContact O-CA 3.38Å; L97-T118 WeakPolarHBondContact O-CB 3.42Å; L97-A119 PolarHBondContact N-O 3.42Å; L97-A119 PolarHBondContact O-N 3.21Å; L97-L121 HydrophobicContact CD1-CD1 3.44Å; L97-L121 VanDerWaalsContact CD1-CD1 3.44Å; L97-L121 HydrophobicContact CD1-CG 3.78Å
98	V	86.9	Confident	87	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	102	165.3	-178.7	0	0	0	0	108.5	C80 Y81 G82 L84 K100 A101 V115 F151 L197	C80-V98 CarbonylContact C-O 3.57Å; C80-V98 VanDerWaalsContact CA-O 3.25Å; C80-V98 WeakPolarHBondContact CA-O 3.49Å; C80-V98 WeakPolarHBondContact CB-O 3.41Å; Y81-V98 PolarHBondContact N-O 3.33Å; G82-V98 PolarHBondContact O-N 2.73Å; L84-V98 HydrophobicContact CD1-CG2 3.99Å; L84-V98 HydrophobicContact CD2-CG2 3.6Å; L84-V98 HydrophobicContact CG-CG2 3.59Å; V98-K100 WeakPolarHBondContact CG1-O 3.15Å; V98-A101 HydrophobicContact CG1-CB 4.02Å; V98-V115 HydrophobicContact CG1-CG1 4.11Å; V98-V115 HydrophobicContact CG1-CG2 4.47Å; V98-V115 HydrophobicContact CG2-CG1 4.36Å; V98-V115 HydrophobicContact CG2-CG2 4.3Å; V98-F151 HydrophobicContact CG1-CE1 4.29Å; V98-L197 HydrophobicContact CG2-CD2 3.8Å
99	T	85.3	Confident	86.9	Confident	41 Å²	41	30.1 Å²	30.1	25%	0.252	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-27.4	178.7	50.2	0	0	0	0	112.2	V78 E117 A119	V78-T99 HydrophobicContact CG1-CG2 4.36Å; T99-E117 PolarHBondContact N-O 3.26Å; T99-E117 WeakPolarHBondContact OG1-CB 3.32Å; T99-E117 PolarHBondContact OG1-O 3.16Å; T99-A119 HydrophobicContact CG2-CB 3.51Å
100	K	86.8	Confident	86.9	Confident	99 Å²	99	30.8 Å²	30.8	43%	0.43	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	129.5	179.4	-162.9	-177.7	-173.2	-178.1	0	111.7	V98 E116 E117	V98-K100 WeakPolarHBondContact CG1-O 3.15Å; K100-E116 HydrophobicContact CB-CB 4.26Å; K100-E116 HydrophobicContact CD-CB 4.17Å; K100-E116 HydrophobicContact CG-CB 4.17Å; K100-E116 PolarHBondContact O-N 2.78Å; K100-E117 HydrophobicContact CB-CB 3.7Å; K100-E117 HydrophobicContact CB-CG 4.04Å; K100-E117 HydrophobicContact CD-CB 4.49Å; K100-E117 VanDerWaalsContact CD-CD 3.44Å; K100-E117 HydrophobicContact CD-CG 3.92Å; K100-E117 WeakPolarHBondContact CD-OE1 3.18Å; K100-E117 PolarHBondContact N-O 3.33Å; K100-E117 IonicContact NZ-OE1 2.66Å; K100-E117 PolarHBondContact NZ-OE1 3.37Å; K100-E117 PolarHBondContact O-N 3.19Å; K100-E117 VanDerWaalsContact O-N 3.12Å
101	A	87.7	Confident	87	Confident	6 Å²	6	30.3 Å²	30.3	5%	0.05	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.1	172.7	0	0	0	0	0	110.8	Y81 V98 F113 K114 F151	Y81-A101 HydrophobicContact CD1-CB 3.75Å; Y81-A101 HydrophobicContact CD2-CB 4.12Å; Y81-A101 HydrophobicContact CE1-CB 4.06Å; Y81-A101 HydrophobicContact CE2-CB 4.44Å; Y81-A101 HydrophobicContact CG-CB 3.77Å; Y81-A101 PolarHBondContact OH-O 2.88Å; V98-A101 HydrophobicContact CG1-CB 4.02Å; A101-F113 HydrophobicContact CB-CB 4.34Å; A101-F113 HydrophobicContact CB-CD1 4.46Å; A101-K114 CarbonylContact C-O 3.48Å; A101-K114 VanDerWaalsContact CA-O 3.24Å; A101-K114 WeakPolarHBondContact CA-O 3.19Å; A101-F151 HydrophobicContact CB-CE1 3.74Å; A101-F151 HydrophobicContact CB-CZ 3.66Å
102	S	88.2	Confident	87.4	Confident	36 Å²	36	25.1 Å²	25.1	25%	0.252	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.6	176.6	63.1	0	0	0	0	109.9	L104 F113 K114 E116	S102-L104 PolarHBondContact O-N 3.32Å; S102-F113 CarbonylContact O-C 3.49Å; S102-F113 VanDerWaalsContact O-CA 3.31Å; S102-F113 WeakPolarHBondContact O-CA 3.25Å; S102-K114 PolarHBondContact N-O 3.24Å; S102-K114 PolarHBondContact O-N 3.17Å; S102-E116 PolarHBondContact OG-OE1 2.75Å
103	P	87.3	Confident	87.8	Confident	92 Å²	92	25.2 Å²	25.2	60%	0.597	14%	0.136	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70	118.4	171.1	28.8	-32	0	0	0	108.7	F113	P103-F113 HydrophobicContact CB-CD1 4.16Å; P103-F113 HydrophobicContact CB-CE1 4.01Å
104	L	89.9	Confident	88.2	Confident	48 Å²	48	25.2 Å²	25.2	25%	0.251	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-57.5	-173.4	179.7	64.4	0	0	0	111.6	S102 I112 V204 F206	S102-L104 PolarHBondContact O-N 3.32Å; L104-I112 PolarHBondContact N-O 2.82Å; L104-V204 HydrophobicContact CD2-CB 3.69Å; L104-V204 HydrophobicContact CD2-CG1 3.74Å; L104-V204 WeakPolarHBondContact CD2-O 3.5Å; L104-F206 WeakPolarHBondContact O-CE1 3.25Å
105	T	93.3	Very high	88.6	Confident	9 Å²	9	25.4 Å²	25.4	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	177.8	-179.2	-170.8	0	0	0	0	110.3	I112 V204 F206 R217 V219	T105-I112 HydrophobicContact CG2-CB 4.2Å; T105-I112 HydrophobicContact CG2-CD1 4.06Å; T105-I112 PolarHBondContact N-O 2.9Å; T105-I112 PolarHBondContact O-N 3.18Å; T105-V204 HydrophobicContact CG2-CG1 3.86Å; T105-F206 HydrophobicContact CG2-CB 4.39Å; T105-F206 HydrophobicContact CG2-CD1 4.42Å; T105-F206 WeakPolarHBondContact OG1-CG 3.3Å; T105-R217 WeakPolarHBondContact OG1-CD 3.5Å; T105-V219 HydrophobicContact CG2-CG1 4.15Å
106	D	88.4	Confident	88.9	Confident	37 Å²	37	29 Å²	29	20%	0.198	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.2	173.7	58.7	-80.6	0	0	0	111.2	H110 R217 F255	D106-H110 CarbonylContact C-O 3.5Å; D106-H110 WeakPolarHBondContact CA-O 3.41Å; D106-H110 WeakPolarHBondContact CB-O 3.45Å; D106-R217 IonicContact OD1-CZ 3.6Å; D106-R217 IonicContact OD1-NH1 3.65Å; D106-R217 PolarHBondContact OD1-NH1 3.08Å; D106-R217 VanDerWaalsContact OD1-NH1 3.13Å; D106-R217 IonicContact OD1-NH2 3.47Å; D106-R217 PolarHBondContact OD1-NH2 3.26Å; D106-R217 IonicContact OD2-CZ 2.75Å; D106-R217 IonicContact OD2-NH1 3.09Å; D106-R217 PolarHBondContact OD2-NH1 3.12Å; D106-R217 IonicContact OD2-NH2 3.97Å; D106-F255 VanDerWaalsContact O-CZ 3.26Å; D106-F255 WeakPolarHBondContact O-CZ 3.21Å
107	I	91.6	Very high	88.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	107.6	168.4	-54.3	176.6	0	0	0	107	Y109 H110 I112 Y155 L161 I221 F255 F262 F267	I107-Y109 PolarHBondContact O-N 3.41Å; I107-H110 PolarHBondContact N-O 3.29Å; I107-H110 WeakPolarHBondContact O-CB 3.06Å; I107-H110 PolarHBondContact O-CD2 3.45Å; I107-H110 PolarHBondContact O-N 2.82Å; I107-I112 HydrophobicContact CD1-CD1 3.75Å; I107-I112 HydrophobicContact CG1-CD1 3.86Å; I107-Y155 HydrophobicContact CD1-CE1 4.21Å; I107-L161 HydrophobicContact CG2-CD1 4.33Å; I107-I221 HydrophobicContact CD1-CD1 3.75Å; I107-F255 HydrophobicContact CG2-CE1 4.38Å; I107-F262 HydrophobicContact CG2-CE1 3.84Å; I107-F262 HydrophobicContact CG2-CZ 3.99Å; I107-F267 HydrophobicContact CG2-CD1 4.45Å; I107-F267 HydrophobicContact CG2-CE1 4.23Å
108	G	87.9	Confident	89.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.01	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-120	-172.8	0	0	0	0	0	111.6	P260	G108-P260 VanDerWaalsContact C-CB 3.5Å; G108-P260 WeakPolarHBondContact CA-O 3.06Å
109	Y	85.2	Confident	89	Confident	40 Å²	40	35.7 Å²	35.7	16%	0.157	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.6	175.4	-62.2	-71	0	0	0	114.2	I107 P260 H607 Y614	I107-Y109 PolarHBondContact O-N 3.41Å; Y109-P260 HydrophobicContact CD1-CB 3.85Å; Y109-P260 HydrophobicContact CD1-CG 3.79Å; Y109-P260 HydrophobicContact CD2-CB 4.2Å; Y109-P260 HydrophobicContact CE1-CB 3.81Å; Y109-P260 HydrophobicContact CE1-CG 3.24Å; Y109-P260 HydrophobicContact CE2-CB 4.17Å; Y109-P260 HydrophobicContact CE2-CG 4.05Å; Y109-P260 HydrophobicContact CG-CB 4.06Å; Y109-P260 HydrophobicContact CG-CG 4.4Å; Y109-H607 AromaticContact CE2-NE2 3.99Å; Y109-Y614 HydrophobicContact CD1-CD2 4.47Å; Y109-Y614 HydrophobicContact CD1-CG 4.33Å
110	H	87.9	Confident	89	Confident	25 Å²	25	35.2 Å²	35.2	12%	0.116	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.1	-167.7	-55.6	-76.4	0	0	0	111.7	D106 I107 T154 Y155 F262	D106-H110 CarbonylContact C-O 3.5Å; D106-H110 WeakPolarHBondContact CA-O 3.41Å; D106-H110 WeakPolarHBondContact CB-O 3.45Å; I107-H110 PolarHBondContact N-O 3.29Å; I107-H110 WeakPolarHBondContact O-CB 3.06Å; I107-H110 PolarHBondContact O-CD2 3.45Å; I107-H110 PolarHBondContact O-N 2.82Å; H110-T154 PolarHBondContact CE1-O 3.49Å; H110-T154 WeakPolarHBondContact ND1-CB 3.5Å; H110-T154 PolarHBondContact ND1-O 3.21Å; H110-T154 PolarHBondContact ND1-OG1 3.15Å; H110-Y155 VanDerWaalsContact CB-CB 3.49Å; H110-Y155 HydrophobicContact CB-CD2 4.32Å; H110-Y155 HydrophobicContact CB-CG 4.15Å; H110-Y155 AromaticContact CD2-CD2 3.93Å; H110-F262 AromaticContact CD2-CE2 3.55Å; H110-F262 AromaticContact CD2-CZ 3.54Å; H110-F262 AromaticContact NE2-CE2 3.45Å; H110-F262 WeakPolarHBondContact NE2-CE2 3.35Å; H110-F262 AromaticContact NE2-CZ 3.95Å
111	A	87.4	Confident	88.8	Confident	13 Å²	13	32.6 Å²	32.6	11%	0.107	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.1	175.2	0	0	0	0	0	111.7	F113 S152 Y613	A111-F113 HydrophobicContact CB-CE2 3.79Å; A111-F113 HydrophobicContact CB-CZ 4.16Å; A111-S152 VanDerWaalsContact O-CB 3.26Å; A111-S152 WeakPolarHBondContact O-CB 3.29Å; A111-S152 PolarHBondContact O-OG 3.14Å; A111-Y613 HydrophobicContact CB-CD1 3.99Å; A111-Y613 HydrophobicContact CB-CE1 3.39Å
112	I	91.2	Very high	88.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.2	176	-58.7	176.3	0	0	0	108.1	L104 T105 I107 H150 L157 V204	L104-I112 PolarHBondContact N-O 2.82Å; T105-I112 HydrophobicContact CG2-CB 4.2Å; T105-I112 HydrophobicContact CG2-CD1 4.06Å; T105-I112 PolarHBondContact N-O 2.9Å; T105-I112 PolarHBondContact O-N 3.18Å; I107-I112 HydrophobicContact CD1-CD1 3.75Å; I107-I112 HydrophobicContact CG1-CD1 3.86Å; I112-H150 HydrophobicContact CG2-CB 4.47Å; I112-L157 HydrophobicContact CD1-CD2 3.64Å; I112-L157 HydrophobicContact CG1-CD2 3.93Å; I112-L157 HydrophobicContact CG2-CD1 3.96Å; I112-L157 HydrophobicContact CG2-CD2 4.31Å; I112-V204 HydrophobicContact CG2-CG1 4.21Å; I112-V204 HydrophobicContact CG2-CG2 4.46Å
113	F	89.8	Confident	87.8	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.022	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.5	-178.6	-63.2	-97	0	0	0	110.4	A101 S102 P103 A111 H150 F151 Y153 Y613	A101-F113 HydrophobicContact CB-CB 4.34Å; A101-F113 HydrophobicContact CB-CD1 4.46Å; S102-F113 CarbonylContact O-C 3.49Å; S102-F113 VanDerWaalsContact O-CA 3.31Å; S102-F113 WeakPolarHBondContact O-CA 3.25Å; P103-F113 HydrophobicContact CB-CD1 4.16Å; P103-F113 HydrophobicContact CB-CE1 4.01Å; A111-F113 HydrophobicContact CB-CE2 3.79Å; A111-F113 HydrophobicContact CB-CZ 4.16Å; F113-H150 CarbonylContact O-C 3.56Å; F113-H150 WeakPolarHBondContact O-CA 3.34Å; F113-F151 HydrophobicContact CB-CD1 4.16Å; F113-F151 HydrophobicContact CB-CD2 4.12Å; F113-F151 HydrophobicContact CB-CE1 3.73Å; F113-F151 HydrophobicContact CB-CE2 3.68Å; F113-F151 HydrophobicContact CB-CG 4.36Å; F113-F151 HydrophobicContact CB-CZ 3.48Å; F113-F151 VanDerWaalsContact CB-CZ 3.48Å; F113-F151 HydrophobicContact CD2-CD2 4.27Å; F113-F151 AromaticContact CD2-CE2 3.81Å; F113-F151 HydrophobicContact CD2-CE2 3.81Å; F113-F151 HydrophobicContact CD2-CZ 4.37Å; F113-F151 AromaticContact CG-CE2 3.83Å; F113-F151 HydrophobicContact CG-CE2 3.83Å; F113-F151 AromaticContact CG-CZ 3.91Å; F113-F151 HydrophobicContact CG-CZ 3.91Å; F113-F151 PolarHBondContact N-O 2.9Å; F113-F151 PolarHBondContact O-N 3.04Å; F113-Y153 HydrophobicContact CD2-CD2 4.23Å; F113-Y153 HydrophobicContact CD2-CE2 4.07Å; F113-Y153 AromaticContact CE2-CD2 3.64Å; F113-Y153 HydrophobicContact CE2-CD2 3.64Å; F113-Y153 AromaticContact CE2-CE2 3.62Å; F113-Y153 HydrophobicContact CE2-CE2 3.62Å; F113-Y153 HydrophobicContact CZ-CD2 4.21Å; F113-Y153 AromaticContact CZ-CE2 3.87Å; F113-Y153 HydrophobicContact CZ-CE2 3.87Å; F113-Y613 HydrophobicContact CZ-CE1 4.29Å; F113-Y613 AromaticContact CZ-CE2 3.83Å; F113-Y613 HydrophobicContact CZ-CE2 3.83Å; F113-Y613 AromaticContact CZ-CZ 3.51Å; F113-Y613 WeakPolarHBondContact CZ-OH 3.02Å
114	K	94.1	Very high	87	Confident	53 Å²	53	31 Å²	31	23%	0.23	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131	167.3	-178.9	-178.1	172.2	-160.6	0	108.7	A101 S102 E116	A101-K114 CarbonylContact C-O 3.48Å; A101-K114 VanDerWaalsContact CA-O 3.24Å; A101-K114 WeakPolarHBondContact CA-O 3.19Å; S102-K114 PolarHBondContact N-O 3.24Å; S102-K114 PolarHBondContact O-N 3.17Å; K114-E116 WeakPolarHBondContact CD-OE1 3.02Å; K114-E116 IonicContact NZ-OE1 2.82Å; K114-E116 PolarHBondContact O-N 3.08Å
115	V	92.6	Very high	85.7	Confident	14 Å²	14	32.6 Å²	32.6	9%	0.085	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.6	171.8	179.8	0	0	0	0	108	V98 T118 F149 F151	V98-V115 HydrophobicContact CG1-CG1 4.11Å; V98-V115 HydrophobicContact CG1-CG2 4.47Å; V98-V115 HydrophobicContact CG2-CG1 4.36Å; V98-V115 HydrophobicContact CG2-CG2 4.3Å; V115-T118 HydrophobicContact CG1-CG2 3.51Å; V115-F149 HydrophobicContact CB-CB 4Å; V115-F149 HydrophobicContact CG2-CB 3.92Å; V115-F149 PolarHBondContact N-O 2.97Å; V115-F151 HydrophobicContact CG2-CD1 3.59Å; V115-F151 HydrophobicContact CG2-CE1 3.8Å
116	E	90.6	Very high	84.5	Confident	88 Å²	88	40.3 Å²	40.3	41%	0.411	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-44.6	179	-62.7	-66.7	170.6	0	0	111.3	K100 S102 K114	K100-E116 HydrophobicContact CB-CB 4.26Å; K100-E116 HydrophobicContact CD-CB 4.17Å; K100-E116 HydrophobicContact CG-CB 4.17Å; K100-E116 PolarHBondContact O-N 2.78Å; S102-E116 PolarHBondContact OG-OE1 2.75Å; K114-E116 WeakPolarHBondContact CD-OE1 3.02Å; K114-E116 IonicContact NZ-OE1 2.82Å; K114-E116 PolarHBondContact O-N 3.08Å
117	E	90	Very high	83.6	Confident	96 Å²	96	44.1 Å²	44.1	45%	0.449	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.6	-180	-59.8	170.8	-153.1	0	0	110.6	T99 K100	T99-E117 PolarHBondContact N-O 3.26Å; T99-E117 WeakPolarHBondContact OG1-CB 3.32Å; T99-E117 PolarHBondContact OG1-O 3.16Å; K100-E117 HydrophobicContact CB-CB 3.7Å; K100-E117 HydrophobicContact CB-CG 4.04Å; K100-E117 HydrophobicContact CD-CB 4.49Å; K100-E117 VanDerWaalsContact CD-CD 3.44Å; K100-E117 HydrophobicContact CD-CG 3.92Å; K100-E117 WeakPolarHBondContact CD-OE1 3.18Å; K100-E117 PolarHBondContact N-O 3.33Å; K100-E117 IonicContact NZ-OE1 2.66Å; K100-E117 PolarHBondContact NZ-OE1 3.37Å; K100-E117 PolarHBondContact O-N 3.19Å; K100-E117 VanDerWaalsContact O-N 3.12Å
118	T	90.3	Very high	82.6	Confident	18 Å²	18	45 Å²	45	11%	0.11	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.2	178.3	61.8	0	0	0	0	110.1	L84 L97 V115 L144	L84-T118 HydrophobicContact CD1-CG2 3.62Å; L97-T118 CarbonylContact O-C 3.5Å; L97-T118 WeakPolarHBondContact O-CA 3.38Å; L97-T118 WeakPolarHBondContact O-CB 3.42Å; V115-T118 HydrophobicContact CG1-CG2 3.51Å; T118-L144 PolarHBondContact OG1-O 2.78Å
119	A	84.5	Confident	82	Confident	29 Å²	29	54.2 Å²	54.2	24%	0.24	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.9	174.7	0	0	0	0	0	110.6	L97 T99	L97-A119 PolarHBondContact N-O 3.42Å; L97-A119 PolarHBondContact O-N 3.21Å; T99-A119 HydrophobicContact CG2-CB 3.51Å
120	A	85.1	Confident	81.9	Confident	31 Å²	31	53.9 Å²	53.9	26%	0.256	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.7	173	0	0	0	0	0	108.6	Y94 I95 L96	Y94-A120 HydrophobicContact CD1-CB 4.36Å; I95-A120 CarbonylContact O-C 3.59Å; I95-A120 WeakPolarHBondContact O-CA 3.47Å; L96-A120 HydrophobicContact CD2-CB 3.7Å
121	L	82.3	Confident	81.8	Confident	43 Å²	43	57.5 Å²	57.5	23%	0.225	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.5	175.2	-59.8	-174.2	0	0	0	109.4	L64 V78 Y94 I95 L97	L64-L121 HydrophobicContact CB-CD1 4.49Å; L64-L121 HydrophobicContact CD1-CD1 4.21Å; V78-L121 HydrophobicContact CG2-CD1 4.23Å; V78-L121 HydrophobicContact CG2-CD2 4.34Å; Y94-L121 CarbonylContact C-O 3.59Å; Y94-L121 VanDerWaalsContact CA-O 3.23Å; Y94-L121 WeakPolarHBondContact CA-O 3.47Å; I95-L121 HydrophobicContact CB-CB 4.48Å; I95-L121 PolarHBondContact N-O 3.02Å; I95-L121 PolarHBondContact O-N 3.21Å; L97-L121 HydrophobicContact CD1-CD1 3.44Å; L97-L121 VanDerWaalsContact CD1-CD1 3.44Å; L97-L121 HydrophobicContact CD1-CG 3.78Å
122	Y	81	Confident	81.7	Confident	56 Å²	56	60.6 Å²	60.6	22%	0.22	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.5	172.5	-169.3	-121.3	0	0	0	109.6	Y94 P124 E126 C128	Y94-Y122 AromaticContact CD1-CD2 3.76Å; Y94-Y122 HydrophobicContact CD1-CD2 3.76Å; Y94-Y122 HydrophobicContact CD1-CG 4.38Å; Y94-Y122 HydrophobicContact CD2-CD2 4.06Å; Y94-Y122 HydrophobicContact CD2-CE2 4.41Å; Y94-Y122 AromaticContact CE1-CD2 3.32Å; Y94-Y122 HydrophobicContact CE1-CD2 3.32Å; Y94-Y122 HydrophobicContact CE1-CE2 4.14Å; Y94-Y122 AromaticContact CE1-CG 3.94Å; Y94-Y122 HydrophobicContact CE1-CG 3.94Å; Y94-Y122 AromaticContact CE2-CD2 3.62Å; Y94-Y122 HydrophobicContact CE2-CD2 3.62Å; Y94-Y122 AromaticContact CE2-CE2 3.72Å; Y94-Y122 HydrophobicContact CE2-CE2 3.72Å; Y94-Y122 HydrophobicContact CG-CD2 4.11Å; Y94-Y122 AromaticContact CZ-CD2 3.23Å; Y94-Y122 AromaticContact CZ-CE2 3.56Å; Y122-P124 HydrophobicContact CD1-CB 4.29Å; Y122-P124 HydrophobicContact CD1-CG 4.31Å; Y122-P124 VanDerWaalsContact CD1-O 3.23Å; Y122-P124 WeakPolarHBondContact CD1-O 3.13Å; Y122-P124 HydrophobicContact CE1-CB 3.64Å; Y122-P124 HydrophobicContact CE1-CG 3.66Å; Y122-P124 HydrophobicContact CE2-CG 3.99Å; Y122-E126 VanDerWaalsContact CE1-O 3.29Å; Y122-E126 WeakPolarHBondContact CE1-O 3.43Å; Y122-C128 HydrophobicContact CE1-CB 4.24Å
123	I	73.9	Confident	81.6	Confident	24 Å²	24	60.6 Å²	60.6	12%	0.123	33%	0.331	C	S	.	.			trans	-76.8	-46	-173.8	-58.1	172.5	0	0	0	112.6	I47 H93 I95 A125	I47-I123 HydrophobicContact CD1-CD1 3.49Å; I47-I123 VanDerWaalsContact CD1-CD1 3.49Å; I47-I123 HydrophobicContact CD1-CG2 4.02Å; I47-I123 HydrophobicContact CG1-CD1 3.82Å; I47-I123 HydrophobicContact CG1-CG2 3.7Å; H93-I123 HydrophobicContact CB-CD1 3.59Å; H93-I123 HydrophobicContact CB-CG1 4.4Å; H93-I123 WeakPolarHBondContact O-CG1 3.31Å; H93-I123 PolarHBondContact O-N 3.39Å; I95-I123 HydrophobicContact CD1-CD1 3.82Å; I95-I123 HydrophobicContact CD1-CG1 3.94Å; I95-I123 HydrophobicContact CG1-CD1 3.41Å; I95-I123 VanDerWaalsContact CG1-CD1 3.41Å; I95-I123 HydrophobicContact CG1-CG1 3.64Å; I123-A125 PolarHBondContact O-N 2.98Å
124	P	70.7	Confident	81.4	Confident	21 Å²	21	63.3 Å²	63.3	14%	0.136	35%	0.346	C	S	.	.	S	Bend	trans	-62.9	136.2	178.7	-18.5	31	0	0	0	111.6	F43 Y122 E126	F43-P124 HydrophobicContact CZ-CB 3.91Å; F43-P124 HydrophobicContact CZ-CG 3.92Å; Y122-P124 HydrophobicContact CD1-CB 4.29Å; Y122-P124 HydrophobicContact CD1-CG 4.31Å; Y122-P124 VanDerWaalsContact CD1-O 3.23Å; Y122-P124 WeakPolarHBondContact CD1-O 3.13Å; Y122-P124 HydrophobicContact CE1-CB 3.64Å; Y122-P124 HydrophobicContact CE1-CG 3.66Å; Y122-P124 HydrophobicContact CE2-CG 3.99Å; P124-E126 VanDerWaalsContact C-N 3.26Å; P124-E126 PolarHBondContact O-N 3.23Å
125	A	61.7	Low	81.2	Confident	81 Å²	81	65.3 Å²	65.3	67%	0.669	36%	0.355	S	S	*	.	S	Bend	trans	-61.6	-31.3	-178.2	0	0	0	0	0	113.6	I123 V127	I123-A125 PolarHBondContact O-N 2.98Å; A125-V127 PolarHBondContact O-N 3.37Å
126	E	68.4	Low	81	Confident	171 Å²	171	65 Å²	65	80%	0.799	35%	0.352	S	S	*	.	S	Bend	trans	-84.5	108.2	176.6	-70.1	-174.9	-178.9	0	0	110.8	Y122 P124 C128	Y122-E126 VanDerWaalsContact CE1-O 3.29Å; Y122-E126 WeakPolarHBondContact CE1-O 3.43Å; P124-E126 VanDerWaalsContact C-N 3.26Å; P124-E126 PolarHBondContact O-N 3.23Å; E126-C128 PolarHBondContact O-N 3.49Å; E126-C128 VanDerWaalsContact O-N 3.11Å
127	V	70.2	Confident	81	Confident	117 Å²	117	62 Å²	62	71%	0.709	34%	0.339	S	S	*	.			trans	-53.5	119.7	174.5	-177.5	0	0	0	0	110.3	A125 K129	A125-V127 PolarHBondContact O-N 3.37Å; V127-K129 PolarHBondContact O-N 3.03Å
128	C	70.3	Confident	80.9	Confident	20 Å²	20	65.8 Å²	65.8	14%	0.135	35%	0.349	C	S	.	.			trans	-66.6	116.9	178.8	-170.7	0	0	0	0	110.7	F91 Y122 E126 E133	F91-C128 WeakPolarHBondContact CD2-SG 3.23Å; Y122-C128 HydrophobicContact CE1-CB 4.24Å; E126-C128 PolarHBondContact O-N 3.49Å; E126-C128 VanDerWaalsContact O-N 3.11Å; C128-E133 HydrophobicContact CB-CG 4.11Å
129	K	75	Confident	80.9	Confident	193 Å²	193	66.3 Å²	66.3	84%	0.839	35%	0.351	S	S	*	.			trans	-91.6	6.1	177.2	-62.5	-178.9	-177.4	175.4	0	113.5	V127 S131	V127-K129 PolarHBondContact O-N 3.03Å; K129-S131 PolarHBondContact O-N 3Å
130	S	83.8	Confident	81.2	Confident	34 Å²	34	65 Å²	65	24%	0.238	34%	0.339	C	S	.	.			trans	-66.2	127.7	-179.2	178	0	0	0	0	110.9	F91 E132 E133 L134	F91-S130 VanDerWaalsContact CE2-CB 3.47Å; S130-E132 PolarHBondContact O-N 2.98Å; S130-E132 PolarHBondContact OG-N 3.35Å; S130-E133 PolarHBondContact O-N 2.97Å; S130-L134 WeakPolarHBondContact O-CG 3.27Å; S130-L134 PolarHBondContact O-N 2.91Å; S130-L134 VanDerWaalsContact O-N 3.11Å
131	S	85.2	Confident	81.4	Confident	100 Å²	100	66.3 Å²	66.3	70%	0.699	34%	0.34	S	S	*	.	H	α-helix	trans	-61.4	-29.3	176.3	-175	0	0	0	0	112.5	K129 K135	K129-S131 PolarHBondContact O-N 3Å; S131-K135 PolarHBondContact O-N 3.18Å
132	E	85.4	Confident	81.6	Confident	78 Å²	78	67.2 Å²	67.2	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-73.7	-44.5	178.8	-63.8	-173.3	174.7	0	0	111.5	L90 S130 L134 K135 Y136	L90-E132 HydrophobicContact CD1-CB 3.68Å; S130-E132 PolarHBondContact O-N 2.98Å; S130-E132 PolarHBondContact OG-N 3.35Å; E132-L134 PolarHBondContact O-N 2.85Å; E132-K135 WeakPolarHBondContact O-CB 3.42Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-K135 VanDerWaalsContact O-N 3.14Å; E132-Y136 VanDerWaalsContact O-CD2 3.22Å; E132-Y136 WeakPolarHBondContact O-CD2 3Å; E132-Y136 PolarHBondContact O-N 2.94Å; E132-Y136 VanDerWaalsContact O-N 3.09Å
133	E	87.6	Confident	81.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-46.8	176.1	-175.3	81.3	172.5	0	0	110.9	F89 L90 F91 Y94 C128 S130 K135 Y136 L137	F89-E133 WeakPolarHBondContact CB-OE2 3.2Å; L90-E133 WeakPolarHBondContact CB-OE2 3.48Å; L90-E133 PolarHBondContact N-OE2 3.3Å; F91-E133 HydrophobicContact CD2-CB 3.98Å; F91-E133 HydrophobicContact CD2-CG 4.28Å; F91-E133 WeakPolarHBondContact CD2-OE2 3.45Å; F91-E133 HydrophobicContact CE2-CB 4.21Å; F91-E133 PolarHBondContact N-OE2 2.88Å; Y94-E133 VanDerWaalsContact CE2-OE1 3.24Å; Y94-E133 WeakPolarHBondContact CE2-OE1 3.31Å; Y94-E133 WeakPolarHBondContact OH-CG 3.42Å; Y94-E133 PolarHBondContact OH-OE1 3.46Å; Y94-E133 VanDerWaalsContact OH-OE1 3.09Å; C128-E133 HydrophobicContact CB-CG 4.11Å; S130-E133 PolarHBondContact O-N 2.97Å; E133-K135 PolarHBondContact O-N 3.05Å; E133-Y136 PolarHBondContact O-N 2.66Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 PolarHBondContact O-N 3.46Å
134	L	87.6	Confident	82.2	Confident	62 Å²	62	64 Å²	64	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-30.5	177.9	-69.3	174.5	0	0	0	112.4	S130 E132 L137 R138	S130-L134 WeakPolarHBondContact O-CG 3.27Å; S130-L134 PolarHBondContact O-N 2.91Å; S130-L134 VanDerWaalsContact O-N 3.11Å; E132-L134 PolarHBondContact O-N 2.85Å; L134-L137 HydrophobicContact CD2-CD2 4.46Å; L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 VanDerWaalsContact O-CG 3.27Å; L134-R138 WeakPolarHBondContact O-CG 3.07Å; L134-R138 PolarHBondContact O-N 3.34Å
135	K	88.4	Confident	82.8	Confident	96 Å²	96	69.1 Å²	69.1	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-69.4	-44.8	175.1	-173.5	174.7	177.7	175.3	0	111.4	S131 E132 E133 R138 M139 L553	S131-K135 PolarHBondContact O-N 3.18Å; E132-K135 WeakPolarHBondContact O-CB 3.42Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-K135 VanDerWaalsContact O-N 3.14Å; E133-K135 PolarHBondContact O-N 3.05Å; K135-R138 PolarHBondContact O-N 2.79Å; K135-M139 WeakPolarHBondContact O-CB 3.16Å; K135-M139 PolarHBondContact O-N 2.84Å; K135-L553 HydrophobicContact CD-CD2 3.6Å; K135-L553 VanDerWaalsContact CE-CD2 3.42Å; K135-L553 VanDerWaalsContact NZ-CD1 3.26Å
136	Y	89.6	Confident	83.9	Confident	6 Å²	6	67.2 Å²	67.2	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-42.8	173.6	-72	-59.3	0	0	0	111.9	L90 E132 E133 R138 M139 F140 L541 F546 P548 L549 K552 P554	L90-Y136 HydrophobicContact CD1-CD2 4.19Å; L90-Y136 HydrophobicContact CD1-CE2 3.95Å; L90-Y136 HydrophobicContact CD2-CE2 3.99Å; L90-Y136 HydrophobicContact CG-CD2 4.1Å; L90-Y136 HydrophobicContact CG-CE2 3.96Å; E132-Y136 VanDerWaalsContact O-CD2 3.22Å; E132-Y136 WeakPolarHBondContact O-CD2 3Å; E132-Y136 PolarHBondContact O-N 2.94Å; E132-Y136 VanDerWaalsContact O-N 3.09Å; E133-Y136 PolarHBondContact O-N 2.66Å; Y136-R138 PolarHBondContact O-N 3.33Å; Y136-M139 PolarHBondContact O-N 2.78Å; Y136-F140 WeakPolarHBondContact O-CB 3.01Å; Y136-F140 PolarHBondContact O-N 2.89Å; Y136-L541 HydrophobicContact CD1-CD1 4.44Å; Y136-L541 HydrophobicContact CD1-CD2 4.18Å; Y136-F546 AromaticContact CE1-CE1 3.76Å; Y136-F546 HydrophobicContact CE1-CE1 3.76Å; Y136-F546 HydrophobicContact CE1-CZ 4.44Å; Y136-P548 HydrophobicContact CD1-CB 4.24Å; Y136-P548 HydrophobicContact CD1-CG 4.09Å; Y136-P548 HydrophobicContact CD2-CB 4.07Å; Y136-P548 HydrophobicContact CE1-CB 4.03Å; Y136-P548 HydrophobicContact CE1-CG 4.2Å; Y136-P548 HydrophobicContact CE2-CB 3.82Å; Y136-P548 HydrophobicContact CG-CB 4.26Å; Y136-P548 HydrophobicContact CG-CG 4.28Å; Y136-L549 PolarHBondContact OH-O 3.37Å; Y136-K552 PolarHBondContact OH-O 3.3Å; Y136-P554 HydrophobicContact CE1-CG 4.46Å
137	L	89.1	Confident	84.7	Confident	25 Å²	25	62.7 Å²	62.7	13%	0.131	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-48.2	177.2	-179.1	63.3	0	0	0	111.8	F89 Y94 E133 L134 M139 F140 Q141	F89-L137 HydrophobicContact CE2-CB 4.16Å; F89-L137 HydrophobicContact CE2-CD1 4Å; Y94-L137 HydrophobicContact CD1-CD1 4.13Å; Y94-L137 HydrophobicContact CE1-CD1 3.85Å; Y94-L137 HydrophobicContact CE1-CD2 4.1Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 PolarHBondContact O-N 3.46Å; L134-L137 HydrophobicContact CD2-CD2 4.46Å; L137-M139 PolarHBondContact O-N 2.65Å; L137-F140 PolarHBondContact O-N 3.13Å; L137-Q141 HydrophobicContact CD1-CG 4.29Å; L137-Q141 HydrophobicContact CG-CG 4.47Å; L137-Q141 WeakPolarHBondContact O-CB 3.37Å; L137-Q141 VanDerWaalsContact O-CG 3.26Å; L137-Q141 WeakPolarHBondContact O-CG 3.15Å; L137-Q141 PolarHBondContact O-N 3.37Å
138	R	89.5	Confident	85.7	Confident	176 Å²	176	58.5 Å²	58.5	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-43	177.1	-73.4	175.5	-164	159.4	5.2	112.2	L134 K135 Y136 Q141 S142	L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 VanDerWaalsContact O-CG 3.27Å; L134-R138 WeakPolarHBondContact O-CG 3.07Å; L134-R138 PolarHBondContact O-N 3.34Å; K135-R138 PolarHBondContact O-N 2.79Å; Y136-R138 PolarHBondContact O-N 3.33Å; R138-Q141 PolarHBondContact O-N 3.49Å; R138-S142 PolarHBondContact O-N 3.48Å; R138-S142 VanDerWaalsContact O-N 3.16Å
139	M	89.2	Confident	87	Confident	30 Å²	30	58 Å²	58	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-47.3	176.5	-179.7	-177.5	-64.6	0	0	110.7	K135 Y136 L137 S142 N537 A538 L541 P554	K135-M139 WeakPolarHBondContact O-CB 3.16Å; K135-M139 PolarHBondContact O-N 2.84Å; Y136-M139 PolarHBondContact O-N 2.78Å; L137-M139 PolarHBondContact O-N 2.65Å; M139-S142 WeakPolarHBondContact O-CB 3.26Å; M139-S142 PolarHBondContact O-N 3.49Å; M139-S142 PolarHBondContact O-OG 2.81Å; M139-N537 HydrophobicContact CE-CB 4.14Å; M139-N537 HydrophobicContact SD-CB 3.99Å; M139-A538 HydrophobicContact CG-CB 3.71Å; M139-A538 WeakPolarHBondContact O-CB 3.44Å; M139-L541 HydrophobicContact CB-CD2 4.31Å; M139-L541 HydrophobicContact CG-CD2 4.16Å; M139-L541 HydrophobicContact SD-CB 4.44Å; M139-L541 HydrophobicContact SD-CD2 4.05Å; M139-P554 HydrophobicContact CE-CG 4.05Å; M139-P554 HydrophobicContact SD-CG 4.16Å
140	F	90.5	Very high	88	Confident	1 Å²	1	49 Å²	49	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-41.9	178.5	-166.9	-89.3	0	0	0	112.5	V87 F89 L96 Y136 L137 S142 V143 L144 L182 L541 F542	V87-F140 HydrophobicContact CB-CE2 4.5Å; V87-F140 HydrophobicContact CB-CZ 4.35Å; V87-F140 HydrophobicContact CG1-CE1 4.3Å; V87-F140 HydrophobicContact CG1-CE2 4.46Å; V87-F140 HydrophobicContact CG1-CZ 4.13Å; V87-F140 HydrophobicContact CG2-CE2 4.06Å; V87-F140 HydrophobicContact CG2-CZ 4.41Å; F89-F140 HydrophobicContact CE1-CB 4.11Å; F89-F140 AromaticContact CE1-CD2 3.83Å; F89-F140 HydrophobicContact CE1-CD2 3.83Å; F89-F140 HydrophobicContact CE1-CE2 4.46Å; F89-F140 HydrophobicContact CE1-CG 4.04Å; F89-F140 HydrophobicContact CZ-CB 3.68Å; F89-F140 HydrophobicContact CZ-CD1 4.23Å; F89-F140 AromaticContact CZ-CD2 3.99Å; F89-F140 HydrophobicContact CZ-CD2 3.99Å; F89-F140 AromaticContact CZ-CG 3.72Å; F89-F140 HydrophobicContact CZ-CG 3.72Å; L96-F140 HydrophobicContact CD1-CE1 3.46Å; L96-F140 VanDerWaalsContact CD1-CE1 3.46Å; L96-F140 HydrophobicContact CD1-CZ 3.61Å; L96-F140 HydrophobicContact CD2-CE1 3.99Å; L96-F140 HydrophobicContact CG-CE1 4.36Å; Y136-F140 WeakPolarHBondContact O-CB 3.01Å; Y136-F140 PolarHBondContact O-N 2.89Å; L137-F140 PolarHBondContact O-N 3.13Å; F140-S142 PolarHBondContact O-N 2.83Å; F140-V143 PolarHBondContact O-N 3.29Å; F140-L144 HydrophobicContact CD1-CD1 3.54Å; F140-L144 HydrophobicContact CD1-CG 3.76Å; F140-L144 HydrophobicContact CE1-CD1 3.59Å; F140-L144 HydrophobicContact CE1-CD2 3.87Å; F140-L144 HydrophobicContact CE1-CG 3.61Å; F140-L144 PolarHBondContact O-N 3.26Å; F140-L144 VanDerWaalsContact O-N 3.16Å; F140-L182 HydrophobicContact CE2-CD2 4.03Å; F140-L182 HydrophobicContact CZ-CD1 3.96Å; F140-L182 HydrophobicContact CZ-CD2 3.68Å; F140-L182 HydrophobicContact CZ-CG 4.5Å; F140-L541 HydrophobicContact CB-CD2 3.98Å; F140-L541 HydrophobicContact CD2-CD2 4.16Å; F140-L541 HydrophobicContact CD2-CG 4.05Å; F140-F542 HydrophobicContact CD2-CB 4.49Å; F140-F542 HydrophobicContact CD2-CD2 4.41Å; F140-F542 HydrophobicContact CE1-CD2 4.05Å; F140-F542 HydrophobicContact CE1-CE2 4.35Å; F140-F542 HydrophobicContact CE2-CB 4.23Å; F140-F542 AromaticContact CE2-CD2 3.79Å; F140-F542 HydrophobicContact CE2-CD2 3.79Å; F140-F542 HydrophobicContact CE2-CG 4.36Å; F140-F542 AromaticContact CZ-CD2 3.56Å; F140-F542 HydrophobicContact CZ-CD2 3.56Å; F140-F542 HydrophobicContact CZ-CE2 4.01Å; F140-F542 HydrophobicContact CZ-CG 4.5Å
141	Q	89.3	Confident	88.4	Confident	59 Å²	59	47.5 Å²	47.5	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-34.6	176.4	-80.6	175.3	-19.4	0	0	112.5	L137 R138 V143 L144 F145	L137-Q141 HydrophobicContact CD1-CG 4.29Å; L137-Q141 HydrophobicContact CG-CG 4.47Å; L137-Q141 WeakPolarHBondContact O-CB 3.37Å; L137-Q141 VanDerWaalsContact O-CG 3.26Å; L137-Q141 WeakPolarHBondContact O-CG 3.15Å; L137-Q141 PolarHBondContact O-N 3.37Å; R138-Q141 PolarHBondContact O-N 3.49Å; Q141-V143 PolarHBondContact O-N 2.77Å; Q141-L144 PolarHBondContact O-N 3.44Å; Q141-F145 HydrophobicContact CB-CD2 4.2Å; Q141-F145 HydrophobicContact CB-CE2 3.76Å; Q141-F145 HydrophobicContact CG-CE2 4.22Å; Q141-F145 WeakPolarHBondContact O-CD2 3.02Å; Q141-F145 WeakPolarHBondContact O-CG 3.47Å; Q141-F145 PolarHBondContact O-N 3.5Å
142	S	87.9	Confident	88.6	Confident	62 Å²	62	43.1 Å²	43.1	43%	0.434	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-27.5	175.6	78.5	0	0	0	0	113.6	R138 M139 F140 A538	R138-S142 PolarHBondContact O-N 3.48Å; R138-S142 VanDerWaalsContact O-N 3.16Å; M139-S142 WeakPolarHBondContact O-CB 3.26Å; M139-S142 PolarHBondContact O-N 3.49Å; M139-S142 PolarHBondContact O-OG 2.81Å; F140-S142 PolarHBondContact O-N 2.83Å; S142-A538 WeakPolarHBondContact OG-CB 3.34Å
143	V	85.2	Confident	88.6	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-84.9	-41.8	174.1	-171	0	0	0	0	111.6	F140 Q141 F145 L146 A538 L539 F542	F140-V143 PolarHBondContact O-N 3.29Å; Q141-V143 PolarHBondContact O-N 2.77Å; V143-F145 PolarHBondContact O-N 3.06Å; V143-L146 HydrophobicContact CB-CD1 4.42Å; V143-L146 HydrophobicContact CG1-CD1 3.78Å; V143-L146 VanDerWaalsContact O-CB 3.28Å; V143-L146 WeakPolarHBondContact O-CB 3.04Å; V143-L146 VanDerWaalsContact O-CG 3.32Å; V143-L146 WeakPolarHBondContact O-CG 3.33Å; V143-L146 PolarHBondContact O-N 3.1Å; V143-A538 HydrophobicContact CG2-CB 3.5Å; V143-A538 WeakPolarHBondContact CG2-O 3.25Å; V143-L539 HydrophobicContact CG1-CD2 4.08Å; V143-F542 HydrophobicContact CB-CB 4.03Å; V143-F542 HydrophobicContact CB-CD2 3.98Å; V143-F542 HydrophobicContact CB-CG 4.07Å; V143-F542 HydrophobicContact CG1-CB 3.79Å; V143-F542 HydrophobicContact CG1-CD1 3.93Å; V143-F542 HydrophobicContact CG1-CD2 3.74Å; V143-F542 HydrophobicContact CG1-CE1 4.47Å; V143-F542 HydrophobicContact CG1-CE2 4.29Å; V143-F542 HydrophobicContact CG1-CG 3.54Å; V143-F542 HydrophobicContact CG2-CB 4.06Å
144	L	82	Confident	88.4	Confident	11 Å²	11	45.1 Å²	45.1	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-30.4	177.8	-75.9	174.6	0	0	0	113.2	L84 L96 T118 F140 Q141 L146 F542	L84-L144 HydrophobicContact CD1-CD2 4.26Å; L96-L144 HydrophobicContact CD1-CD2 4.38Å; L96-L144 HydrophobicContact CD2-CD1 3.85Å; T118-L144 PolarHBondContact OG1-O 2.78Å; F140-L144 HydrophobicContact CD1-CD1 3.54Å; F140-L144 HydrophobicContact CD1-CG 3.76Å; F140-L144 HydrophobicContact CE1-CD1 3.59Å; F140-L144 HydrophobicContact CE1-CD2 3.87Å; F140-L144 HydrophobicContact CE1-CG 3.61Å; F140-L144 PolarHBondContact O-N 3.26Å; F140-L144 VanDerWaalsContact O-N 3.16Å; Q141-L144 PolarHBondContact O-N 3.44Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-F542 HydrophobicContact CD2-CE2 3.87Å; L144-F542 HydrophobicContact CG-CE2 4.47Å
145	F	82.6	Confident	88.4	Confident	128 Å²	128	42.8 Å²	42.8	56%	0.561	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	6.9	176.8	-58.5	-46.2	0	0	0	113.6	Q141 V143	Q141-F145 HydrophobicContact CB-CD2 4.2Å; Q141-F145 HydrophobicContact CB-CE2 3.76Å; Q141-F145 HydrophobicContact CG-CE2 4.22Å; Q141-F145 WeakPolarHBondContact O-CD2 3.02Å; Q141-F145 WeakPolarHBondContact O-CG 3.47Å; Q141-F145 PolarHBondContact O-N 3.5Å; V143-F145 PolarHBondContact O-N 3.06Å
146	L	84.1	Confident	88.6	Confident	41 Å²	41	39.4 Å²	39.4	22%	0.215	19%	0.191	C	C	.	.			trans	-63.8	135.4	171.4	-69.2	173.7	0	0	0	109.6	V143 L144 F149 L539	V143-L146 HydrophobicContact CB-CD1 4.42Å; V143-L146 HydrophobicContact CG1-CD1 3.78Å; V143-L146 VanDerWaalsContact O-CB 3.28Å; V143-L146 WeakPolarHBondContact O-CB 3.04Å; V143-L146 VanDerWaalsContact O-CG 3.32Å; V143-L146 WeakPolarHBondContact O-CG 3.33Å; V143-L146 PolarHBondContact O-N 3.1Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L146-F149 HydrophobicContact CB-CE2 3.96Å; L146-F149 WeakPolarHBondContact O-CD2 3.14Å; L146-L539 HydrophobicContact CD1-CD2 4.46Å
147	P	85.3	Confident	88.8	Confident	75 Å²	75	39.5 Å²	39.5	49%	0.487	19%	0.192	S	C	.	.	S	Bend	trans	-69.8	164.5	176.2	30.8	-35.5	0	0	0	111	H201	P147-H201 PolarHBondContact O-NE2 3.34Å
148	N	93	Very high	89.1	Confident	29 Å²	29	38.3 Å²	38.3	16%	0.155	19%	0.186	C	C	.	.			trans	71.3	33	169.4	-50.9	-34.1	0	0	0	115.4	H150 G202	N148-H150 PolarHBondContact O-CE1 3.2Å; N148-H150 VanDerWaalsContact O-CE1 3.25Å; N148-H150 PolarHBondContact O-ND1 2.86Å; N148-G202 WeakPolarHBondContact CB-O 3.45Å; N148-G202 PolarHBondContact O-N 3.01Å
149	F	96	Very high	89.4	Confident	10 Å²	10	31.8 Å²	31.8	4%	0.044	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.9	155.8	-74.6	-74.1	0	0	0	110.2	V115 L146 W178 V199 H201 F542	V115-F149 HydrophobicContact CB-CB 4Å; V115-F149 HydrophobicContact CG2-CB 3.92Å; V115-F149 PolarHBondContact N-O 2.97Å; L146-F149 HydrophobicContact CB-CE2 3.96Å; L146-F149 WeakPolarHBondContact O-CD2 3.14Å; F149-W178 HydrophobicContact CE1-CB 3.94Å; F149-W178 HydrophobicContact CE1-CD2 4.34Å; F149-W178 HydrophobicContact CE1-CE3 4.26Å; F149-W178 HydrophobicContact CE1-CG 4.2Å; F149-W178 HydrophobicContact CZ-CE3 4.38Å; F149-V199 HydrophobicContact CD1-CB 4.21Å; F149-V199 HydrophobicContact CD1-CG2 3.7Å; F149-V199 HydrophobicContact CE1-CG2 4.12Å; F149-H201 HydrophobicContact CD1-CB 3.84Å; F149-H201 HydrophobicContact CE1-CB 3.64Å; F149-H201 HydrophobicContact CZ-CB 4.4Å; F149-F542 HydrophobicContact CZ-CZ 4.42Å
150	H	96.2	Very high	89.7	Confident	5 Å²	5	30.8 Å²	30.8	2%	0.023	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.4	-178.5	-53.9	85.9	0	0	0	110.4	I112 F113 N148 L157 V199 V200 V204	I112-H150 HydrophobicContact CG2-CB 4.47Å; F113-H150 CarbonylContact O-C 3.56Å; F113-H150 WeakPolarHBondContact O-CA 3.34Å; N148-H150 PolarHBondContact O-CE1 3.2Å; N148-H150 VanDerWaalsContact O-CE1 3.25Å; N148-H150 PolarHBondContact O-ND1 2.86Å; H150-L157 HydrophobicContact CB-CD1 4.19Å; H150-V199 WeakPolarHBondContact O-CA 3.08Å; H150-V200 PolarHBondContact N-O 2.72Å; H150-V200 PolarHBondContact O-N 2.96Å; H150-V204 HydrophobicContact CB-CG2 4.09Å
151	F	93.6	Very high	89.9	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.1	175.5	68.8	-93.8	0	0	0	110.8	V98 A101 F113 V115 Y153 L197 V199	V98-F151 HydrophobicContact CG1-CE1 4.29Å; A101-F151 HydrophobicContact CB-CE1 3.74Å; A101-F151 HydrophobicContact CB-CZ 3.66Å; F113-F151 HydrophobicContact CB-CD1 4.16Å; F113-F151 HydrophobicContact CB-CD2 4.12Å; F113-F151 HydrophobicContact CB-CE1 3.73Å; F113-F151 HydrophobicContact CB-CE2 3.68Å; F113-F151 HydrophobicContact CB-CG 4.36Å; F113-F151 HydrophobicContact CB-CZ 3.48Å; F113-F151 VanDerWaalsContact CB-CZ 3.48Å; F113-F151 HydrophobicContact CD2-CD2 4.27Å; F113-F151 AromaticContact CD2-CE2 3.81Å; F113-F151 HydrophobicContact CD2-CE2 3.81Å; F113-F151 HydrophobicContact CD2-CZ 4.37Å; F113-F151 AromaticContact CG-CE2 3.83Å; F113-F151 HydrophobicContact CG-CE2 3.83Å; F113-F151 AromaticContact CG-CZ 3.91Å; F113-F151 HydrophobicContact CG-CZ 3.91Å; F113-F151 PolarHBondContact N-O 2.9Å; F113-F151 PolarHBondContact O-N 3.04Å; V115-F151 HydrophobicContact CG2-CD1 3.59Å; V115-F151 HydrophobicContact CG2-CE1 3.8Å; F151-Y153 HydrophobicContact CD2-CE1 4.46Å; F151-Y153 HydrophobicContact CE2-CD2 4.34Å; F151-Y153 AromaticContact CE2-CE1 3.92Å; F151-Y153 HydrophobicContact CE2-CE1 3.92Å; F151-Y153 AromaticContact CE2-CE2 3.71Å; F151-Y153 HydrophobicContact CE2-CE2 3.71Å; F151-Y153 AromaticContact CE2-CZ 3.49Å; F151-Y153 VanDerWaalsContact CE2-CZ 3.49Å; F151-L197 HydrophobicContact CB-CD1 4.17Å; F151-L197 HydrophobicContact CB-CG 4.11Å; F151-L197 HydrophobicContact CD1-CD2 4.01Å; F151-L197 HydrophobicContact CD2-CD1 3.43Å; F151-L197 VanDerWaalsContact CD2-CD1 3.43Å; F151-L197 HydrophobicContact CD2-CD2 4.09Å; F151-L197 HydrophobicContact CD2-CG 4.04Å; F151-L197 HydrophobicContact CE1-CD2 4.19Å; F151-L197 HydrophobicContact CE2-CD1 3.93Å; F151-L197 HydrophobicContact CE2-CD2 4.26Å; F151-L197 HydrophobicContact CG-CD1 3.88Å; F151-L197 HydrophobicContact CG-CD2 3.94Å; F151-L197 HydrophobicContact CG-CG 3.97Å; F151-L197 HydrophobicContact CZ-CD2 4.29Å; F151-V199 HydrophobicContact CB-CG1 4.27Å
152	S	89.4	Confident	90.2	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.063	15%	0.152	C	C	.	.			trans	-141.1	142.9	167	-179.6	0	0	0	0	108.9	A111 T154 Y155	A111-S152 VanDerWaalsContact O-CB 3.26Å; A111-S152 WeakPolarHBondContact O-CB 3.29Å; A111-S152 PolarHBondContact O-OG 3.14Å; S152-T154 VanDerWaalsContact C-N 3.34Å; S152-T154 PolarHBondContact OG-N 3Å; S152-Y155 WeakPolarHBondContact CB-O 3.11Å; S152-Y155 PolarHBondContact OG-N 2.8Å
153	Y	85	Confident	90.4	Very high	89 Å²	89	28.3 Å²	28.3	35%	0.349	14%	0.143	S	C	.	.	S	Bend	trans	-77.1	-21.9	177.9	-60.3	-70.8	0	0	0	113.4	Y81 F113 F151 L197	Y81-Y153 WeakPolarHBondContact O-CE1 3.18Å; Y81-Y153 PolarHBondContact O-OH 3.36Å; F113-Y153 HydrophobicContact CD2-CD2 4.23Å; F113-Y153 HydrophobicContact CD2-CE2 4.07Å; F113-Y153 AromaticContact CE2-CD2 3.64Å; F113-Y153 HydrophobicContact CE2-CD2 3.64Å; F113-Y153 AromaticContact CE2-CE2 3.62Å; F113-Y153 HydrophobicContact CE2-CE2 3.62Å; F113-Y153 HydrophobicContact CZ-CD2 4.21Å; F113-Y153 AromaticContact CZ-CE2 3.87Å; F113-Y153 HydrophobicContact CZ-CE2 3.87Å; F151-Y153 HydrophobicContact CD2-CE1 4.46Å; F151-Y153 HydrophobicContact CE2-CD2 4.34Å; F151-Y153 AromaticContact CE2-CE1 3.92Å; F151-Y153 HydrophobicContact CE2-CE1 3.92Å; F151-Y153 AromaticContact CE2-CE2 3.71Å; F151-Y153 HydrophobicContact CE2-CE2 3.71Å; F151-Y153 AromaticContact CE2-CZ 3.49Å; F151-Y153 VanDerWaalsContact CE2-CZ 3.49Å; Y153-L197 HydrophobicContact CD1-CD1 3.98Å; Y153-L197 HydrophobicContact CE1-CD1 3.8Å
154	T	83.4	Confident	90.7	Very high	31 Å²	31	29.4 Å²	29.4	19%	0.19	15%	0.149	C	C	.	.	S	Bend	trans	-126.9	-9.1	-168.2	58.2	0	0	0	0	113.6	H110 S152 L609 A610	H110-T154 PolarHBondContact CE1-O 3.49Å; H110-T154 WeakPolarHBondContact ND1-CB 3.5Å; H110-T154 PolarHBondContact ND1-O 3.21Å; H110-T154 PolarHBondContact ND1-OG1 3.15Å; S152-T154 VanDerWaalsContact C-N 3.34Å; S152-T154 PolarHBondContact OG-N 3Å; T154-L609 HydrophobicContact CG2-CB 3.8Å; T154-A610 HydrophobicContact CG2-CB 4.41Å
155	Y	87.5	Confident	91.1	Very high	13 Å²	13	31 Å²	31	5%	0.051	16%	0.158	C	C	.	.	S	Bend	trans	-127.8	130.6	-178.8	-178.9	-94.1	0	0	0	110.3	I107 H110 S152 L157 L161 N164 F262	I107-Y155 HydrophobicContact CD1-CE1 4.21Å; H110-Y155 VanDerWaalsContact CB-CB 3.49Å; H110-Y155 HydrophobicContact CB-CD2 4.32Å; H110-Y155 HydrophobicContact CB-CG 4.15Å; H110-Y155 AromaticContact CD2-CD2 3.93Å; S152-Y155 WeakPolarHBondContact CB-O 3.11Å; S152-Y155 PolarHBondContact OG-N 2.8Å; Y155-L157 HydrophobicContact CD1-CD2 3.75Å; Y155-L157 HydrophobicContact CD1-CG 4.14Å; Y155-L157 HydrophobicContact CE1-CD2 3.98Å; Y155-L157 PolarHBondContact O-N 3.29Å; Y155-L161 HydrophobicContact CE2-CD1 4.41Å; Y155-L161 WeakPolarHBondContact OH-CA 3.43Å; Y155-N164 HydrophobicContact CE2-CB 4.05Å; Y155-N164 VanDerWaalsContact CE2-ND2 3.35Å; Y155-N164 WeakPolarHBondContact CE2-ND2 3.33Å; Y155-N164 PolarHBondContact OH-ND2 3.01Å; Y155-N164 VanDerWaalsContact OH-ND2 3.09Å; Y155-F262 HydrophobicContact CD2-CE2 4.3Å; Y155-F262 HydrophobicContact CD2-CZ 4.25Å; Y155-F262 HydrophobicContact CE2-CE2 4.2Å; Y155-F262 HydrophobicContact CE2-CZ 4.01Å
156	D	92.5	Very high	91.4	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.128	15%	0.151	C	C	.	.			trans	-76.1	96.5	175.6	-175.2	3	0	0	0	110.2	S158 R159 N164	D156-S158 PolarHBondContact O-N 3.42Å; D156-S158 WeakPolarHBondContact OD1-CA 3.42Å; D156-S158 VanDerWaalsContact OD1-CB 3.25Å; D156-S158 WeakPolarHBondContact OD1-CB 3.49Å; D156-S158 PolarHBondContact OD1-N 3Å; D156-S158 PolarHBondContact OD1-OG 2.95Å; D156-S158 PolarHBondContact OD2-OG 3.42Å; D156-S158 VanDerWaalsContact OD2-OG 3.14Å; D156-R159 PolarHBondContact O-N 3.27Å; D156-R159 WeakPolarHBondContact OD2-CD 3.47Å; D156-R159 VanDerWaalsContact OD2-CG 3.29Å; D156-R159 WeakPolarHBondContact OD2-CG 3.47Å; D156-N164 PolarHBondContact O-ND2 3.5Å
157	L	94.4	Very high	91.4	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.042	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13	175.5	-74.1	176.3	0	0	0	113.7	I112 H150 Y155 R159 V200 R223	I112-L157 HydrophobicContact CD1-CD2 3.64Å; I112-L157 HydrophobicContact CG1-CD2 3.93Å; I112-L157 HydrophobicContact CG2-CD1 3.96Å; I112-L157 HydrophobicContact CG2-CD2 4.31Å; H150-L157 HydrophobicContact CB-CD1 4.19Å; Y155-L157 HydrophobicContact CD1-CD2 3.75Å; Y155-L157 HydrophobicContact CD1-CG 4.14Å; Y155-L157 HydrophobicContact CE1-CD2 3.98Å; Y155-L157 PolarHBondContact O-N 3.29Å; L157-R159 VanDerWaalsContact C-N 3.35Å; L157-V200 HydrophobicContact CB-CB 4.47Å; L157-V200 HydrophobicContact CB-CG2 3.81Å; L157-R223 WeakPolarHBondContact O-CD 3.31Å; L157-R223 PolarHBondContact O-NE 2.73Å
158	S	95.1	Very high	91.2	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.4	177.4	76.1	0	0	0	0	112.5	D156 H173 F176	D156-S158 PolarHBondContact O-N 3.42Å; D156-S158 WeakPolarHBondContact OD1-CA 3.42Å; D156-S158 VanDerWaalsContact OD1-CB 3.25Å; D156-S158 WeakPolarHBondContact OD1-CB 3.49Å; D156-S158 PolarHBondContact OD1-N 3Å; D156-S158 PolarHBondContact OD1-OG 2.95Å; D156-S158 PolarHBondContact OD2-OG 3.42Å; D156-S158 VanDerWaalsContact OD2-OG 3.14Å; S158-H173 WeakPolarHBondContact OG-CB 3.36Å; S158-H173 PolarHBondContact OG-N 2.99Å; S158-F176 VanDerWaalsContact O-CD2 3.28Å; S158-F176 WeakPolarHBondContact O-CD2 3.27Å
159	R	94.9	Very high	90.6	Very high	38 Å²	38	35.7 Å²	35.7	14%	0.143	19%	0.189	C	C	.	.	S	Bend	trans	-108.7	151.7	-178	-68.8	175.9	74.1	103.6	-0.6	112.2	D156 L157 N164 E167 H173 R223	D156-R159 PolarHBondContact O-N 3.27Å; D156-R159 WeakPolarHBondContact OD2-CD 3.47Å; D156-R159 VanDerWaalsContact OD2-CG 3.29Å; D156-R159 WeakPolarHBondContact OD2-CG 3.47Å; L157-R159 VanDerWaalsContact C-N 3.35Å; R159-N164 WeakPolarHBondContact CB-OD1 3.47Å; R159-N164 PolarHBondContact O-ND2 2.98Å; R159-E167 PolarHBondContact NH2-O 3.03Å; R159-E167 IonicContact NH2-OE2 2.65Å; R159-E167 PolarHBondContact NH2-OE2 2.82Å; R159-H173 HydrophobicContact CG-CB 3.99Å; R159-R223 VanDerWaalsContact C-CZ 3.43Å; R159-R223 PolarHBondContact O-NH1 3.13Å; R159-R223 VanDerWaalsContact O-NH1 3.16Å; R159-R223 PolarHBondContact O-NH2 3.05Å
160	T	95.8	Very high	89.5	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.055	21%	0.213	C	C	.	.			trans	-67.7	159.2	179.5	68.2	0	0	0	0	110.6	Q162 S163 N164 R223 E249 E251 V271	T160-Q162 PolarHBondContact O-N 3.23Å; T160-S163 PolarHBondContact O-N 3.31Å; T160-S163 WeakPolarHBondContact OG1-CB 3.49Å; T160-S163 PolarHBondContact OG1-N 2.83Å; T160-S163 PolarHBondContact OG1-OG 3.44Å; T160-N164 WeakPolarHBondContact O-CB 3.35Å; T160-N164 PolarHBondContact O-N 2.87Å; T160-N164 PolarHBondContact O-ND2 3.28Å; T160-R223 VanDerWaalsContact CA-NH1 3.26Å; T160-E249 WeakPolarHBondContact CG2-OE1 3.16Å; T160-E251 WeakPolarHBondContact CA-OE2 3.37Å; T160-V271 HydrophobicContact CG2-CG1 4.25Å; T160-V271 HydrophobicContact CG2-CG2 3.75Å
161	L	95.5	Very high	88.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-42.8	171.9	-178.8	67.7	0	0	0	110.9	I107 Y155 S163 N164 V165 E251 V253 F262 F267 F394	I107-L161 HydrophobicContact CG2-CD1 4.33Å; Y155-L161 HydrophobicContact CE2-CD1 4.41Å; Y155-L161 WeakPolarHBondContact OH-CA 3.43Å; L161-S163 PolarHBondContact O-N 3.05Å; L161-N164 PolarHBondContact O-N 3.29Å; L161-V165 HydrophobicContact CD1-CG2 4.03Å; L161-V165 HydrophobicContact CG-CG2 4.28Å; L161-V165 WeakPolarHBondContact O-CB 3.32Å; L161-V165 VanDerWaalsContact O-CG2 3.23Å; L161-V165 WeakPolarHBondContact O-CG2 2.96Å; L161-V165 PolarHBondContact O-N 3.05Å; L161-E251 WeakPolarHBondContact CB-OE1 3.4Å; L161-E251 PolarHBondContact N-OE1 3.38Å; L161-E251 PolarHBondContact N-OE2 2.81Å; L161-V253 HydrophobicContact CD2-CG1 3.78Å; L161-F262 HydrophobicContact CD1-CD1 4.14Å; L161-F262 HydrophobicContact CD1-CE1 3.69Å; L161-F262 HydrophobicContact CD1-CE2 4.45Å; L161-F262 HydrophobicContact CD1-CZ 3.85Å; L161-F267 HydrophobicContact CD2-CB 3.94Å; L161-F267 HydrophobicContact CD2-CD1 4.42Å; L161-F394 HydrophobicContact CD2-CD1 4.31Å; L161-F394 HydrophobicContact CD2-CE1 4.29Å; L161-F394 HydrophobicContact CG-CD1 4.38Å; L161-F394 HydrophobicContact CG-CE1 4.14Å
162	Q	94.1	Very high	88.4	Confident	35 Å²	35	47.4 Å²	47.4	16%	0.164	24%	0.24	C	C	.	.	H	α-helix	trans	-56	-51.1	176.3	179	167.7	-71.5	0	0	111.1	T160 N164 V165 L166 F394 Q426	T160-Q162 PolarHBondContact O-N 3.23Å; Q162-N164 PolarHBondContact O-N 3.45Å; Q162-V165 PolarHBondContact O-N 2.88Å; Q162-L166 HydrophobicContact CG-CD1 3.7Å; Q162-L166 HydrophobicContact CG-CG 4.39Å; Q162-L166 WeakPolarHBondContact O-CB 3.24Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 3.11Å; Q162-F394 HydrophobicContact CB-CB 4.1Å; Q162-F394 HydrophobicContact CB-CD1 3.99Å; Q162-F394 HydrophobicContact CB-CD2 3.84Å; Q162-F394 HydrophobicContact CB-CE1 4.39Å; Q162-F394 HydrophobicContact CB-CE2 4.25Å; Q162-F394 HydrophobicContact CB-CG 3.69Å; Q162-F394 HydrophobicContact CG-CB 4.47Å; Q162-F394 HydrophobicContact CG-CD2 3.62Å; Q162-F394 HydrophobicContact CG-CE2 3.96Å; Q162-F394 HydrophobicContact CG-CG 4.01Å; Q162-Q426 PolarHBondContact NE2-O 2.96Å; Q162-Q426 VanDerWaalsContact NE2-O 3.14Å
163	S	92.2	Very high	88.4	Confident	35 Å²	35	49.3 Å²	49.3	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-40.5	178.8	-56.9	0	0	0	0	112.5	T160 L161 V165 E167	T160-S163 PolarHBondContact O-N 3.31Å; T160-S163 WeakPolarHBondContact OG1-CB 3.49Å; T160-S163 PolarHBondContact OG1-N 2.83Å; T160-S163 PolarHBondContact OG1-OG 3.44Å; L161-S163 PolarHBondContact O-N 3.05Å; S163-V165 VanDerWaalsContact C-N 3.29Å; S163-V165 PolarHBondContact O-N 3.46Å; S163-E167 CarbonylContact O-C 3.58Å; S163-E167 WeakPolarHBondContact O-CA 3.4Å; S163-E167 PolarHBondContact O-N 3.1Å; S163-E167 VanDerWaalsContact O-O 3.1Å
164	N	92.2	Very high	88.6	Confident	26 Å²	26	48.6 Å²	48.6	14%	0.139	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-30.2	178.1	-78.5	-34	0	0	0	112.9	Y155 D156 R159 T160 L161 Q162	Y155-N164 HydrophobicContact CE2-CB 4.05Å; Y155-N164 VanDerWaalsContact CE2-ND2 3.35Å; Y155-N164 WeakPolarHBondContact CE2-ND2 3.33Å; Y155-N164 PolarHBondContact OH-ND2 3.01Å; Y155-N164 VanDerWaalsContact OH-ND2 3.09Å; D156-N164 PolarHBondContact O-ND2 3.5Å; R159-N164 WeakPolarHBondContact CB-OD1 3.47Å; R159-N164 PolarHBondContact O-ND2 2.98Å; T160-N164 WeakPolarHBondContact O-CB 3.35Å; T160-N164 PolarHBondContact O-N 2.87Å; T160-N164 PolarHBondContact O-ND2 3.28Å; L161-N164 PolarHBondContact O-N 3.29Å; Q162-N164 PolarHBondContact O-N 3.45Å
165	V	90	Very high	89.1	Confident	43 Å²	43	47.6 Å²	47.6	26%	0.261	24%	0.24	S	C	.	.	H	α-helix	trans	-84	-43.4	178.9	173.4	0	0	0	0	112.1	L161 Q162 S163 F262 F394	L161-V165 HydrophobicContact CD1-CG2 4.03Å; L161-V165 HydrophobicContact CG-CG2 4.28Å; L161-V165 WeakPolarHBondContact O-CB 3.32Å; L161-V165 VanDerWaalsContact O-CG2 3.23Å; L161-V165 WeakPolarHBondContact O-CG2 2.96Å; L161-V165 PolarHBondContact O-N 3.05Å; Q162-V165 PolarHBondContact O-N 2.88Å; S163-V165 VanDerWaalsContact C-N 3.29Å; S163-V165 PolarHBondContact O-N 3.46Å; V165-F262 HydrophobicContact CG2-CB 3.92Å; V165-F262 HydrophobicContact CG2-CD2 4.1Å; V165-F262 HydrophobicContact CG2-CG 3.95Å; V165-F394 HydrophobicContact CB-CE1 4.39Å; V165-F394 HydrophobicContact CB-CZ 4.02Å; V165-F394 HydrophobicContact CG1-CZ 4Å; V165-F394 HydrophobicContact CG2-CE1 4.38Å; V165-F394 HydrophobicContact CG2-CZ 4.45Å
166	L	88.6	Confident	89.5	Confident	77 Å²	77	47 Å²	47	40%	0.403	24%	0.238	S	C	.	.	H	α-helix	trans	-85.5	-37.1	-174.7	-62.4	-179.2	0	0	0	113.1	Q162 P168 F394 I425	Q162-L166 HydrophobicContact CG-CD1 3.7Å; Q162-L166 HydrophobicContact CG-CG 4.39Å; Q162-L166 WeakPolarHBondContact O-CB 3.24Å; Q162-L166 WeakPolarHBondContact O-CG 3.37Å; Q162-L166 PolarHBondContact O-N 3.11Å; L166-P168 VanDerWaalsContact C-CD 3.49Å; L166-F394 HydrophobicContact CD1-CE2 4.33Å; L166-F394 HydrophobicContact CG-CE2 4.34Å; L166-I425 HydrophobicContact CD1-CD1 4.13Å; L166-I425 HydrophobicContact CD1-CG1 4.39Å
167	E	84.7	Confident	89.7	Confident	131 Å²	131	45.9 Å²	45.9	61%	0.612	23%	0.232	S	C	*	.	S	Bend	trans	-130.1	67.3	-175.1	-63.5	179.7	-179.8	0	0	110.8	R159 S163 T169	R159-E167 PolarHBondContact NH2-O 3.03Å; R159-E167 IonicContact NH2-OE2 2.65Å; R159-E167 PolarHBondContact NH2-OE2 2.82Å; S163-E167 CarbonylContact O-C 3.58Å; S163-E167 WeakPolarHBondContact O-CA 3.4Å; S163-E167 PolarHBondContact O-N 3.1Å; S163-E167 VanDerWaalsContact O-O 3.1Å; E167-T169 PolarHBondContact O-N 3.29Å
168	P	80.1	Confident	89.7	Confident	108 Å²	108	45.6 Å²	45.6	70%	0.701	23%	0.23	S	C	*	.			trans	-64.2	111.9	177	27.1	-33.5	0	0	0	109.5	L166	L166-P168 VanDerWaalsContact C-CD 3.49Å
169	T	81.1	Confident	89.7	Confident	57 Å²	57	45.6 Å²	45.6	35%	0.35	23%	0.23	S	C	.	.			trans	-124.6	159.8	177	177.5	0	0	0	0	110.3	E167 E171	E167-T169 PolarHBondContact O-N 3.29Å; T169-E171 VanDerWaalsContact C-N 3.3Å; T169-E171 HydrophobicContact CG2-CB 4.4Å; T169-E171 WeakPolarHBondContact CG2-O 3.47Å; T169-E171 PolarHBondContact OG1-N 3.3Å
170	K	72.3	Confident	89.6	Confident	124 Å²	124	45 Å²	45	54%	0.539	23%	0.231	S	C	.	.	S	Bend	trans	-85	-7.4	170.7	-66.6	176.2	177.1	177.4	0	112.4	V597	K170-V597 HydrophobicContact CD-CG1 3.52Å
171	E	80.2	Confident	89.4	Confident	80 Å²	80	47.2 Å²	47.2	37%	0.374	24%	0.239	S	C	.	.			trans	-90.4	119	-177.7	-67.3	175.6	-173.2	0	0	111.3	T169 S591 S594	T169-E171 VanDerWaalsContact C-N 3.3Å; T169-E171 HydrophobicContact CG2-CB 4.4Å; T169-E171 WeakPolarHBondContact CG2-O 3.47Å; T169-E171 PolarHBondContact OG1-N 3.3Å; E171-S591 PolarHBondContact OE1-OG 2.72Å; E171-S594 PolarHBondContact OE1-OG 3.48Å
172	W	87.1	Confident	89.2	Confident	57 Å²	57	47.2 Å²	47.2	22%	0.216	24%	0.239	C	C	.	.			trans	-70.9	150.5	175.2	-47.2	-50.4	0	0	0	111.6	E174 V177 L183 I187 L196 P198	W172-E174 PolarHBondContact O-N 3.15Å; W172-V177 HydrophobicContact CB-CG2 3.6Å; W172-V177 HydrophobicContact CG-CG2 4.26Å; W172-L183 HydrophobicContact CH2-CD1 4.26Å; W172-L183 HydrophobicContact CZ3-CD1 3.98Å; W172-I187 HydrophobicContact CZ3-CD1 4.24Å; W172-L196 HydrophobicContact CH2-CB 3.64Å; W172-L196 HydrophobicContact CH2-CD1 3.73Å; W172-L196 HydrophobicContact CH2-CG 4.34Å; W172-L196 HydrophobicContact CZ2-CB 4.15Å; W172-P198 HydrophobicContact CD2-CB 3.97Å; W172-P198 HydrophobicContact CD2-CG 4.18Å; W172-P198 HydrophobicContact CE3-CB 4.32Å; W172-P198 HydrophobicContact CG-CB 4.32Å; W172-P198 HydrophobicContact CG-CG 4.49Å; W172-P198 HydrophobicContact CZ2-CB 4.31Å; W172-P198 HydrophobicContact CZ2-CG 3.92Å
173	H	89.9	Confident	89.1	Confident	50 Å²	50	45.6 Å²	45.6	23%	0.231	23%	0.231	C	C	.	.			trans	-73.8	99.5	171.8	-166.2	-55	0	0	0	110.6	S158 R159 R175 F176 V177 R316	S158-H173 WeakPolarHBondContact OG-CB 3.36Å; S158-H173 PolarHBondContact OG-N 2.99Å; R159-H173 HydrophobicContact CG-CB 3.99Å; H173-R175 WeakPolarHBondContact CE1-CB 3.36Å; H173-R175 WeakPolarHBondContact ND1-CB 3.21Å; H173-R175 PolarHBondContact ND1-N 3.35Å; H173-R175 PolarHBondContact O-N 2.88Å; H173-F176 HydrophobicContact CB-CD2 4.27Å; H173-F176 AromaticContact CE1-CE2 3.94Å; H173-F176 AromaticContact CG-CD2 3.84Å; H173-F176 AromaticContact ND1-CD2 3.59Å; H173-F176 AromaticContact ND1-CE2 3.93Å; H173-F176 PolarHBondContact O-N 3.32Å; H173-V177 PolarHBondContact O-N 3.49Å; H173-R316 WeakPolarHBondContact NE2-CD 3.35Å
174	E	89.1	Confident	88.9	Confident	73 Å²	73	45.9 Å²	45.9	34%	0.341	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-49.4	-39.2	-172.2	-160.8	-133.7	135.5	0	0	114	W172 F176 V177 T180 K226 K227	W172-E174 PolarHBondContact O-N 3.15Å; E174-F176 PolarHBondContact O-N 2.89Å; E174-F176 VanDerWaalsContact O-N 3.16Å; E174-V177 PolarHBondContact O-N 2.83Å; E174-T180 HydrophobicContact CG-CG2 4.38Å; E174-K226 WeakPolarHBondContact O-CE 3.38Å; E174-K226 PolarHBondContact O-NZ 3.28Å; E174-K226 WeakPolarHBondContact OE1-CE 3.32Å; E174-K226 IonicContact OE1-NZ 3.56Å; E174-K226 PolarHBondContact OE1-NZ 3.24Å; E174-K227 IonicContact OE1-NZ 3.45Å; E174-K227 PolarHBondContact OE1-NZ 3.35Å; E174-K227 IonicContact OE2-NZ 3.65Å; E174-K227 PolarHBondContact OE2-NZ 3.4Å
175	R	93.5	Very high	88.5	Confident	11 Å²	11	47.5 Å²	47.5	4%	0.042	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.8	-32.5	178.2	-174.5	178.7	-72.1	-75	-11.7	114.3	H173 S225 K226 K227 D243 E247 N312	H173-R175 WeakPolarHBondContact CE1-CB 3.36Å; H173-R175 WeakPolarHBondContact ND1-CB 3.21Å; H173-R175 PolarHBondContact ND1-N 3.35Å; H173-R175 PolarHBondContact O-N 2.88Å; R175-S225 WeakPolarHBondContact CG-OG 3.47Å; R175-S225 PolarHBondContact NH1-OG 2.88Å; R175-S225 WeakPolarHBondContact O-CA 3.3Å; R175-K226 WeakPolarHBondContact O-CG 2.91Å; R175-K226 PolarHBondContact O-N 3.1Å; R175-K227 HydrophobicContact CB-CG 4.41Å; R175-K227 HydrophobicContact CG-CG 4.06Å; R175-D243 IonicContact CZ-OD1 2.62Å; R175-D243 IonicContact NH1-OD1 2.74Å; R175-D243 PolarHBondContact NH1-OD1 3.17Å; R175-D243 IonicContact NH2-OD1 3.79Å; R175-D243 PolarHBondContact NH2-OD1 3.35Å; R175-E247 IonicContact CZ-OE2 2.78Å; R175-E247 IonicContact NE-OE2 3.2Å; R175-E247 IonicContact NH1-OE2 3.52Å; R175-E247 PolarHBondContact NH1-OE2 3.26Å; R175-N312 PolarHBondContact NH2-ND2 3.29Å; R175-N312 PolarHBondContact NH2-OD1 3.12Å
176	F	96.8	Very high	88.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-109.2	-8.7	-171.9	-58.4	-61.6	0	0	0	113.5	S158 H173 E174 W178 R223 E249	S158-F176 VanDerWaalsContact O-CD2 3.28Å; S158-F176 WeakPolarHBondContact O-CD2 3.27Å; H173-F176 HydrophobicContact CB-CD2 4.27Å; H173-F176 AromaticContact CE1-CE2 3.94Å; H173-F176 AromaticContact CG-CD2 3.84Å; H173-F176 AromaticContact ND1-CD2 3.59Å; H173-F176 AromaticContact ND1-CE2 3.93Å; H173-F176 PolarHBondContact O-N 3.32Å; E174-F176 PolarHBondContact O-N 2.89Å; E174-F176 VanDerWaalsContact O-N 3.16Å; F176-W178 PolarHBondContact O-N 3.02Å; F176-R223 HydrophobicContact CB-CB 4.18Å; F176-R223 HydrophobicContact CD1-CB 3.49Å; F176-R223 VanDerWaalsContact CD1-CB 3.49Å; F176-R223 HydrophobicContact CE1-CB 3.93Å; F176-R223 WeakPolarHBondContact CE1-O 3.04Å; F176-R223 HydrophobicContact CG-CB 3.82Å; F176-E249 HydrophobicContact CE1-CB 4.03Å; F176-E249 HydrophobicContact CZ-CB 3.7Å
177	V	95.7	Very high	87.9	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.215	C	C	.	.			trans	-86.7	107.9	172.6	-178.6	0	0	0	0	109.3	W172 H173 E174 N179 T180 P198 K226	W172-V177 HydrophobicContact CB-CG2 3.6Å; W172-V177 HydrophobicContact CG-CG2 4.26Å; H173-V177 PolarHBondContact O-N 3.49Å; E174-V177 PolarHBondContact O-N 2.83Å; V177-N179 WeakPolarHBondContact CG1-OD1 3.44Å; V177-T180 PolarHBondContact O-OG1 2.78Å; V177-P198 HydrophobicContact CG1-CB 3.86Å; V177-P198 HydrophobicContact CG2-CB 4.2Å; V177-K226 WeakPolarHBondContact O-CD 3.35Å; V177-K226 PolarHBondContact O-NZ 2.77Å
178	W	95.3	Very high	87.8	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-31.8	-171.8	-86.6	61	0	0	0	113.6	F149 F176 V199 H201 R224 K226 A229 L539 F542 L543	F149-W178 HydrophobicContact CE1-CB 3.94Å; F149-W178 HydrophobicContact CE1-CD2 4.34Å; F149-W178 HydrophobicContact CE1-CE3 4.26Å; F149-W178 HydrophobicContact CE1-CG 4.2Å; F149-W178 HydrophobicContact CZ-CE3 4.38Å; F176-W178 PolarHBondContact O-N 3.02Å; W178-V199 HydrophobicContact CB-CG2 4.41Å; W178-V199 PolarHBondContact N-O 2.95Å; W178-H201 HydrophobicContact CD2-CB 3.61Å; W178-H201 AromaticContact CE2-ND1 3.73Å; W178-H201 HydrophobicContact CE3-CB 4.25Å; W178-H201 HydrophobicContact CG-CB 3.75Å; W178-H201 AromaticContact CH2-ND1 3.38Å; W178-H201 WeakPolarHBondContact CH2-ND1 3.24Å; W178-H201 HydrophobicContact CZ2-CB 4.11Å; W178-H201 AromaticContact CZ2-ND1 3.4Å; W178-H201 WeakPolarHBondContact CZ2-ND1 3.31Å; W178-H201 AromaticContact CZ3-ND1 3.69Å; W178-R224 HydrophobicContact CZ2-CB 4.2Å; W178-R224 HydrophobicContact CZ2-CG 3.99Å; W178-R224 PolarHBondContact NE1-O 3.3Å; W178-K226 HydrophobicContact CD2-CB 4.31Å; W178-K226 HydrophobicContact CG-CB 4.42Å; W178-A229 HydrophobicContact CH2-CB 3.73Å; W178-A229 HydrophobicContact CZ2-CB 4.08Å; W178-L539 HydrophobicContact CH2-CD2 4.38Å; W178-L539 HydrophobicContact CZ3-CD2 3.77Å; W178-F542 HydrophobicContact CB-CE1 4.39Å; W178-F542 HydrophobicContact CE3-CE1 4.49Å; W178-L543 HydrophobicContact CE3-CD2 4.03Å; W178-L543 HydrophobicContact CZ3-CD2 4.5Å
179	N	94.2	Very high	87.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	18.3	-177.7	65.4	-31.2	0	0	0	114	L84 V177 Y181 L182 L183 L197 V199	L84-N179 PolarHBondContact O-ND2 2.71Å; V177-N179 WeakPolarHBondContact CG1-OD1 3.44Å; N179-Y181 PolarHBondContact O-N 2.83Å; N179-L182 HydrophobicContact CB-CB 4.29Å; N179-L182 HydrophobicContact CB-CD1 3.96Å; N179-L182 HydrophobicContact CB-CG 4.35Å; N179-L182 WeakPolarHBondContact O-CB 3.07Å; N179-L182 PolarHBondContact O-N 2.95Å; N179-L183 WeakPolarHBondContact O-CG 3.42Å; N179-L183 PolarHBondContact O-N 2.78Å; N179-L197 PolarHBondContact ND2-O 2.88Å; N179-V199 HydrophobicContact CB-CG2 3.94Å; N179-V199 PolarHBondContact OD1-N 2.96Å
180	T	93	Very high	87.5	Confident	27 Å²	27	37.8 Å²	37.8	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-53.3	-43.4	-179.8	-45.6	0	0	0	0	112.2	E174 V177 L182 L183 E184 K226	E174-T180 HydrophobicContact CG-CG2 4.38Å; V177-T180 PolarHBondContact O-OG1 2.78Å; T180-L182 VanDerWaalsContact C-N 3.27Å; T180-L182 PolarHBondContact O-N 3.29Å; T180-L183 PolarHBondContact O-N 2.78Å; T180-E184 WeakPolarHBondContact O-CB 3.42Å; T180-E184 PolarHBondContact O-N 2.92Å; T180-K226 PolarHBondContact OG1-NZ 3.05Å
181	Y	91.8	Very high	87.6	Confident	54 Å²	54	33.4 Å²	33.4	21%	0.212	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-36.9	177.8	172.8	-116.2	0	0	0	112.4	N179 P185 G544 H547	N179-Y181 PolarHBondContact O-N 2.83Å; Y181-P185 WeakPolarHBondContact O-CD 3.39Å; Y181-G544 VanDerWaalsContact CD1-CA 3.44Å; Y181-H547 AromaticContact CE2-CE1 3.62Å; Y181-H547 AromaticContact CZ-CE1 3.7Å; Y181-H547 AromaticContact CZ-ND1 3.85Å; Y181-H547 PolarHBondContact OH-CE1 2.79Å; Y181-H547 PolarHBondContact OH-ND1 2.69Å; Y181-H547 VanDerWaalsContact OH-ND1 3.13Å
182	L	92.3	Very high	87.4	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-76.4	-30.2	-179.9	-48.4	176.8	0	0	0	111.6	G85 V86 V87 L96 F140 N179 T180 F542	G85-L182 CarbonylContact C-O 3.51Å; G85-L182 WeakPolarHBondContact CA-O 3.14Å; V86-L182 PolarHBondContact N-O 2.88Å; V87-L182 HydrophobicContact CB-CD2 4.04Å; V87-L182 HydrophobicContact CG2-CD2 4.27Å; L96-L182 HydrophobicContact CD1-CD1 3.76Å; L96-L182 HydrophobicContact CD1-CD2 4.26Å; L96-L182 HydrophobicContact CD1-CG 4.45Å; F140-L182 HydrophobicContact CE2-CD2 4.03Å; F140-L182 HydrophobicContact CZ-CD1 3.96Å; F140-L182 HydrophobicContact CZ-CD2 3.68Å; F140-L182 HydrophobicContact CZ-CG 4.5Å; N179-L182 HydrophobicContact CB-CB 4.29Å; N179-L182 HydrophobicContact CB-CD1 3.96Å; N179-L182 HydrophobicContact CB-CG 4.35Å; N179-L182 WeakPolarHBondContact O-CB 3.07Å; N179-L182 PolarHBondContact O-N 2.95Å; T180-L182 VanDerWaalsContact C-N 3.27Å; T180-L182 PolarHBondContact O-N 3.29Å; L182-F542 HydrophobicContact CD1-CD2 4.21Å; L182-F542 HydrophobicContact CD1-CE1 4.39Å; L182-F542 HydrophobicContact CD1-CE2 3.57Å; L182-F542 HydrophobicContact CD1-CZ 3.67Å
183	L	90.8	Very high	86.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-79.7	-24.9	176.2	-65.2	175.8	0	0	0	112.3	L84 W172 N179 T180 L186 I187 L196	L84-L183 WeakPolarHBondContact O-CD2 3.34Å; W172-L183 HydrophobicContact CH2-CD1 4.26Å; W172-L183 HydrophobicContact CZ3-CD1 3.98Å; N179-L183 WeakPolarHBondContact O-CG 3.42Å; N179-L183 PolarHBondContact O-N 2.78Å; T180-L183 PolarHBondContact O-N 2.78Å; L183-L186 HydrophobicContact CD2-CD1 4.44Å; L183-L186 WeakPolarHBondContact O-CA 3.42Å; L183-L186 WeakPolarHBondContact O-CB 3.26Å; L183-L186 PolarHBondContact O-N 2.74Å; L183-I187 HydrophobicContact CB-CD1 4.08Å; L183-I187 WeakPolarHBondContact O-CG1 3.4Å; L183-I187 PolarHBondContact O-N 3.45Å; L183-L196 HydrophobicContact CD2-CB 4.4Å; L183-L196 HydrophobicContact CD2-CD2 4.17Å
184	E	88.1	Confident	85.8	Confident	42 Å²	42	33.3 Å²	33.3	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-53.4	-46.8	-174.6	171.5	172.9	-143	0	0	114.2	T180 L186 I187 R188 I592	T180-E184 WeakPolarHBondContact O-CB 3.42Å; T180-E184 PolarHBondContact O-N 2.92Å; E184-L186 PolarHBondContact O-N 3.38Å; E184-I187 PolarHBondContact O-N 3.49Å; E184-R188 HydrophobicContact CG-CG 4.31Å; E184-R188 VanDerWaalsContact CG-NE 3.32Å; E184-R188 WeakPolarHBondContact O-CG 3.05Å; E184-R188 PolarHBondContact O-N 2.86Å; E184-R188 IonicContact OE1-CZ 2.93Å; E184-R188 VanDerWaalsContact OE1-CZ 3.28Å; E184-R188 IonicContact OE1-NE 2.74Å; E184-R188 PolarHBondContact OE1-NE 3.37Å; E184-R188 IonicContact OE1-NH2 2.83Å; E184-R188 PolarHBondContact OE1-NH2 3.21Å; E184-R188 IonicContact OE2-NH2 3.57Å; E184-I592 HydrophobicContact CG-CD1 4.05Å; E184-I592 WeakPolarHBondContact OE1-CD1 3.43Å
185	P	84.9	Confident	85.1	Confident	59 Å²	59	34.4 Å²	34.4	38%	0.383	17%	0.171	S	C	.	.	H	α-helix	trans	-58.4	-35.7	175.1	-24.9	34.6	0	0	0	113.4	Y181 A189	Y181-P185 WeakPolarHBondContact O-CD 3.39Å; P185-A189 VanDerWaalsContact O-CB 3.31Å; P185-A189 WeakPolarHBondContact O-CB 3.37Å; P185-A189 PolarHBondContact O-N 3.02Å; P185-A189 VanDerWaalsContact O-N 3.16Å
186	L	82.8	Confident	84.5	Confident	17 Å²	17	34.7 Å²	34.7	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-73.4	-39	178.8	-60	177	0	0	0	111.8	I83 V86 L183 E184 A189 G190 L191 L196	I83-L186 HydrophobicContact CG2-CD1 3.81Å; V86-L186 HydrophobicContact CG2-CD1 4.28Å; V86-L186 HydrophobicContact CG2-CD2 3.65Å; V86-L186 HydrophobicContact CG2-CG 4.05Å; L183-L186 HydrophobicContact CD2-CD1 4.44Å; L183-L186 WeakPolarHBondContact O-CA 3.42Å; L183-L186 WeakPolarHBondContact O-CB 3.26Å; L183-L186 PolarHBondContact O-N 2.74Å; E184-L186 PolarHBondContact O-N 3.38Å; L186-A189 WeakPolarHBondContact O-CB 3.26Å; L186-A189 PolarHBondContact O-N 3.17Å; L186-G190 PolarHBondContact O-N 3.39Å; L186-L191 HydrophobicContact CB-CB 4.36Å; L186-L191 HydrophobicContact CB-CD2 3.99Å; L186-L191 HydrophobicContact CD1-CD2 4.18Å; L186-L191 HydrophobicContact CD2-CD2 4.19Å; L186-L191 HydrophobicContact CG-CD2 4.36Å; L186-L191 VanDerWaalsContact O-CB 3.25Å; L186-L191 WeakPolarHBondContact O-CB 3.14Å; L186-L191 PolarHBondContact O-N 2.94Å; L186-L191 VanDerWaalsContact O-N 3.14Å; L186-L196 HydrophobicContact CB-CD2 3.81Å; L186-L196 HydrophobicContact CD1-CD2 4.24Å
187	I	82.6	Confident	84.1	Confident	8 Å²	8	35 Å²	35	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-47.4	177.2	-59	163	0	0	0	109.9	W172 L183 E184 A189 G190 L196 I592 V593 V596	W172-I187 HydrophobicContact CZ3-CD1 4.24Å; L183-I187 HydrophobicContact CB-CD1 4.08Å; L183-I187 WeakPolarHBondContact O-CG1 3.4Å; L183-I187 PolarHBondContact O-N 3.45Å; E184-I187 PolarHBondContact O-N 3.49Å; I187-A189 PolarHBondContact O-N 3.39Å; I187-G190 PolarHBondContact O-N 2.89Å; I187-L196 HydrophobicContact CD1-CD1 4.4Å; I187-L196 HydrophobicContact CG1-CD1 3.62Å; I187-L196 HydrophobicContact CG1-CD2 4.32Å; I187-I592 HydrophobicContact CB-CG2 4.02Å; I187-I592 HydrophobicContact CG2-CB 4.35Å; I187-I592 HydrophobicContact CG2-CG2 3.53Å; I187-I592 WeakPolarHBondContact CG2-O 3.5Å; I187-V593 HydrophobicContact CD1-CG2 4.46Å; I187-V596 HydrophobicContact CG2-CG2 4.33Å
188	R	82.2	Confident	84	Confident	156 Å²	156	35.9 Å²	35.9	59%	0.589	18%	0.18	S	C	*	.	H	α-helix	trans	-60.1	-27.5	176.2	-67.1	-177.5	-163.6	-177.7	6	112.4	V15 E184 G190 I592	V15-R188 WeakPolarHBondContact CG1-O 3.17Å; E184-R188 HydrophobicContact CG-CG 4.31Å; E184-R188 VanDerWaalsContact CG-NE 3.32Å; E184-R188 WeakPolarHBondContact O-CG 3.05Å; E184-R188 PolarHBondContact O-N 2.86Å; E184-R188 IonicContact OE1-CZ 2.93Å; E184-R188 VanDerWaalsContact OE1-CZ 3.28Å; E184-R188 IonicContact OE1-NE 2.74Å; E184-R188 PolarHBondContact OE1-NE 3.37Å; E184-R188 IonicContact OE1-NH2 2.83Å; E184-R188 PolarHBondContact OE1-NH2 3.21Å; E184-R188 IonicContact OE2-NH2 3.57Å; R188-G190 PolarHBondContact O-N 2.67Å; R188-I592 HydrophobicContact CG-CG2 4.3Å
189	A	77.4	Confident	84	Confident	9 Å²	9	35.9 Å²	35.9	7%	0.074	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.1	172.6	0	0	0	0	0	115	L18 P185 L186 I187 L191	L18-A189 HydrophobicContact CB-CB 4.45Å; L18-A189 WeakPolarHBondContact CB-O 3.42Å; L18-A189 HydrophobicContact CD1-CB 3.36Å; L18-A189 HydrophobicContact CG-CB 4.29Å; P185-A189 VanDerWaalsContact O-CB 3.31Å; P185-A189 WeakPolarHBondContact O-CB 3.37Å; P185-A189 PolarHBondContact O-N 3.02Å; P185-A189 VanDerWaalsContact O-N 3.16Å; L186-A189 WeakPolarHBondContact O-CB 3.26Å; L186-A189 PolarHBondContact O-N 3.17Å; I187-A189 PolarHBondContact O-N 3.39Å; A189-L191 VanDerWaalsContact C-N 3.32Å
190	G	76.9	Confident	84.1	Confident	23 Å²	23	36.2 Å²	36.2	24%	0.237	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	20.6	-176.7	0	0	0	0	0	113.4	L186 I187 R188 S192	L186-G190 PolarHBondContact O-N 3.39Å; I187-G190 PolarHBondContact O-N 2.89Å; R188-G190 PolarHBondContact O-N 2.67Å; G190-S192 PolarHBondContact O-N 3.38Å
191	L	76.1	Confident	84.3	Confident	32 Å²	32	35 Å²	35	17%	0.168	18%	0.175	C	C	.	.			trans	-62.4	134.5	176.5	-172.3	67	0	0	0	110	L186 A189 W195 L196	L186-L191 HydrophobicContact CB-CB 4.36Å; L186-L191 HydrophobicContact CB-CD2 3.99Å; L186-L191 HydrophobicContact CD1-CD2 4.18Å; L186-L191 HydrophobicContact CD2-CD2 4.19Å; L186-L191 HydrophobicContact CG-CD2 4.36Å; L186-L191 VanDerWaalsContact O-CB 3.25Å; L186-L191 WeakPolarHBondContact O-CB 3.14Å; L186-L191 PolarHBondContact O-N 2.94Å; L186-L191 VanDerWaalsContact O-N 3.14Å; A189-L191 VanDerWaalsContact C-N 3.32Å; L191-W195 HydrophobicContact CD1-CB 4.25Å; L191-W195 HydrophobicContact CD1-CG 4.21Å; L191-W195 HydrophobicContact CD2-CB 3.64Å; L191-W195 HydrophobicContact CD2-CG 4.42Å; L191-W195 HydrophobicContact CG-CB 3.83Å; L191-W195 HydrophobicContact CG-CG 4.3Å; L191-L196 HydrophobicContact CD2-CD2 4.05Å
192	S	74	Confident	84.5	Confident	26 Å²	26	32.5 Å²	32.5	18%	0.182	17%	0.165	C	C	.	.			trans	-56.9	136	179.8	167.8	0	0	0	0	111.2	G190 Q194 W195	G190-S192 PolarHBondContact O-N 3.38Å; S192-Q194 PolarHBondContact O-N 3.21Å; S192-W195 WeakPolarHBondContact O-CB 3.48Å; S192-W195 PolarHBondContact O-N 3.2Å
193	P	74.2	Confident	84.7	Confident	47 Å²	47	33.2 Å²	33.2	31%	0.305	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-54.9	-22	-179.1	-28	34.4	0	0	0	115.3	W195 L196 V597	P193-W195 PolarHBondContact O-N 2.94Å; P193-L196 PolarHBondContact O-N 2.66Å; P193-L196 VanDerWaalsContact O-N 3.15Å; P193-V597 HydrophobicContact CG-CG2 4.32Å
194	Q	70.9	Confident	85	Confident	112 Å²	112	33.8 Å²	33.8	52%	0.523	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.4	-23.1	177	-62	174.4	18.8	0	0	113.1	S192 V603	S192-Q194 PolarHBondContact O-N 3.21Å; Q194-V603 HydrophobicContact CG-CG1 4.16Å
195	W	73.6	Confident	85.4	Confident	96 Å²	96	32 Å²	32	36%	0.364	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-90.4	-13.6	178.2	-69.2	103.8	0	0	0	113.6	L62 I83 L191 S192 P193	L62-W195 HydrophobicContact CD1-CH2 3.38Å; L62-W195 HydrophobicContact CD1-CZ3 3.22Å; L62-W195 HydrophobicContact CD2-CZ3 3.81Å; L62-W195 HydrophobicContact CG-CZ3 4.08Å; I83-W195 HydrophobicContact CD1-CE3 4.38Å; L191-W195 HydrophobicContact CD1-CB 4.25Å; L191-W195 HydrophobicContact CD1-CG 4.21Å; L191-W195 HydrophobicContact CD2-CB 3.64Å; L191-W195 HydrophobicContact CD2-CG 4.42Å; L191-W195 HydrophobicContact CG-CB 3.83Å; L191-W195 HydrophobicContact CG-CG 4.3Å; S192-W195 WeakPolarHBondContact O-CB 3.48Å; S192-W195 PolarHBondContact O-N 3.2Å; P193-W195 PolarHBondContact O-N 2.94Å
196	L	81.9	Confident	85.9	Confident	16 Å²	16	32.6 Å²	32.6	8%	0.084	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-87.7	124.1	-177.3	-54.7	176.4	0	0	0	109	W172 L183 L186 I187 L191 P193 P198	W172-L196 HydrophobicContact CH2-CB 3.64Å; W172-L196 HydrophobicContact CH2-CD1 3.73Å; W172-L196 HydrophobicContact CH2-CG 4.34Å; W172-L196 HydrophobicContact CZ2-CB 4.15Å; L183-L196 HydrophobicContact CD2-CB 4.4Å; L183-L196 HydrophobicContact CD2-CD2 4.17Å; L186-L196 HydrophobicContact CB-CD2 3.81Å; L186-L196 HydrophobicContact CD1-CD2 4.24Å; I187-L196 HydrophobicContact CD1-CD1 4.4Å; I187-L196 HydrophobicContact CG1-CD1 3.62Å; I187-L196 HydrophobicContact CG1-CD2 4.32Å; L191-L196 HydrophobicContact CD2-CD2 4.05Å; P193-L196 PolarHBondContact O-N 2.66Å; P193-L196 VanDerWaalsContact O-N 3.15Å; L196-P198 WeakPolarHBondContact O-CD 3.26Å
197	L	87.7	Confident	86.5	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.031	18%	0.175	C	C	.	.			trans	-108.5	87.9	-179.5	-163.6	69.5	0	0	0	110.3	I83 V98 F151 Y153 N179 V199	I83-L197 WeakPolarHBondContact O-CB 3.38Å; V98-L197 HydrophobicContact CG2-CD2 3.8Å; F151-L197 HydrophobicContact CB-CD1 4.17Å; F151-L197 HydrophobicContact CB-CG 4.11Å; F151-L197 HydrophobicContact CD1-CD2 4.01Å; F151-L197 HydrophobicContact CD2-CD1 3.43Å; F151-L197 VanDerWaalsContact CD2-CD1 3.43Å; F151-L197 HydrophobicContact CD2-CD2 4.09Å; F151-L197 HydrophobicContact CD2-CG 4.04Å; F151-L197 HydrophobicContact CE1-CD2 4.19Å; F151-L197 HydrophobicContact CE2-CD1 3.93Å; F151-L197 HydrophobicContact CE2-CD2 4.26Å; F151-L197 HydrophobicContact CG-CD1 3.88Å; F151-L197 HydrophobicContact CG-CD2 3.94Å; F151-L197 HydrophobicContact CG-CG 3.97Å; F151-L197 HydrophobicContact CZ-CD2 4.29Å; Y153-L197 HydrophobicContact CD1-CD1 3.98Å; Y153-L197 HydrophobicContact CE1-CD1 3.8Å; N179-L197 PolarHBondContact ND2-O 2.88Å; L197-V199 PolarHBondContact O-N 3.01Å
198	P	92.9	Very high	86.9	Confident	20 Å²	20	37.5 Å²	37.5	13%	0.13	19%	0.187	C	C	.	.			trans	-65.4	128	174.9	29.4	-36.2	0	0	0	110	W172 V177 L196	W172-P198 HydrophobicContact CD2-CB 3.97Å; W172-P198 HydrophobicContact CD2-CG 4.18Å; W172-P198 HydrophobicContact CE3-CB 4.32Å; W172-P198 HydrophobicContact CG-CB 4.32Å; W172-P198 HydrophobicContact CG-CG 4.49Å; W172-P198 HydrophobicContact CZ2-CB 4.31Å; W172-P198 HydrophobicContact CZ2-CG 3.92Å; V177-P198 HydrophobicContact CG1-CB 3.86Å; V177-P198 HydrophobicContact CG2-CB 4.2Å; L196-P198 WeakPolarHBondContact O-CD 3.26Å
199	V	95.4	Very high	87.3	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	16%	0.16	C	C	.	.			trans	-111.4	138.2	177.4	-54.5	0	0	0	0	112	L84 F149 H150 F151 W178 N179 L197	L84-V199 HydrophobicContact CD2-CG1 3.41Å; L84-V199 VanDerWaalsContact CD2-CG1 3.41Å; L84-V199 HydrophobicContact CD2-CG2 4.48Å; F149-V199 HydrophobicContact CD1-CB 4.21Å; F149-V199 HydrophobicContact CD1-CG2 3.7Å; F149-V199 HydrophobicContact CE1-CG2 4.12Å; H150-V199 WeakPolarHBondContact O-CA 3.08Å; F151-V199 HydrophobicContact CB-CG1 4.27Å; W178-V199 HydrophobicContact CB-CG2 4.41Å; W178-V199 PolarHBondContact N-O 2.95Å; N179-V199 HydrophobicContact CB-CG2 3.94Å; N179-V199 PolarHBondContact OD1-N 2.96Å; L197-V199 PolarHBondContact O-N 3.01Å
200	V	96.5	Very high	87.7	Confident	8 Å²	8	34.7 Å²	34.7	5%	0.048	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	174.4	179.4	0	0	0	0	109.1	H150 L157 R223	H150-V200 PolarHBondContact N-O 2.72Å; H150-V200 PolarHBondContact O-N 2.96Å; L157-V200 HydrophobicContact CB-CB 4.47Å; L157-V200 HydrophobicContact CB-CG2 3.81Å; V200-R223 HydrophobicContact CG1-CB 3.99Å; V200-R223 HydrophobicContact CG1-CG 4.02Å
201	H	96.8	Very high	88.1	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.7	175.6	-176.4	-139.4	0	0	0	110.4	P147 F149 W178 R224 Q492	P147-H201 PolarHBondContact O-NE2 3.34Å; F149-H201 HydrophobicContact CD1-CB 3.84Å; F149-H201 HydrophobicContact CE1-CB 3.64Å; F149-H201 HydrophobicContact CZ-CB 4.4Å; W178-H201 HydrophobicContact CD2-CB 3.61Å; W178-H201 AromaticContact CE2-ND1 3.73Å; W178-H201 HydrophobicContact CE3-CB 4.25Å; W178-H201 HydrophobicContact CG-CB 3.75Å; W178-H201 AromaticContact CH2-ND1 3.38Å; W178-H201 WeakPolarHBondContact CH2-ND1 3.24Å; W178-H201 HydrophobicContact CZ2-CB 4.11Å; W178-H201 AromaticContact CZ2-ND1 3.4Å; W178-H201 WeakPolarHBondContact CZ2-ND1 3.31Å; W178-H201 AromaticContact CZ3-ND1 3.69Å; H201-R224 VanDerWaalsContact O-CB 3.3Å; H201-R224 WeakPolarHBondContact O-CB 3.35Å; H201-R224 PolarHBondContact O-N 3.31Å; H201-Q492 VanDerWaalsContact NE2-CD 3.32Å; H201-Q492 PolarHBondContact NE2-NE2 2.87Å; H201-Q492 VanDerWaalsContact NE2-NE2 3.16Å
202	G	95.8	Very high	88.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-111.7	177.9	0	0	0	0	0	111.4	N148 A222 Q492	N148-G202 WeakPolarHBondContact CB-O 3.45Å; N148-G202 PolarHBondContact O-N 3.01Å; G202-A222 VanDerWaalsContact CA-O 3.3Å; G202-A222 WeakPolarHBondContact CA-O 3.26Å; G202-Q492 PolarHBondContact O-NE2 3.09Å
203	F	97.2	Very high	88.5	Confident	16 Å²	16	43.8 Å²	43.8	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	140.1	178.2	176.3	-100.3	0	0	0	110.7	L220 I221 A222 E484 H485 A488	F203-L220 HydrophobicContact CE1-CB 4.4Å; F203-L220 HydrophobicContact CE1-CD2 4.31Å; F203-I221 CarbonylContact O-C 3.56Å; F203-I221 WeakPolarHBondContact O-CA 3.24Å; F203-A222 HydrophobicContact CB-CB 4.03Å; F203-A222 PolarHBondContact N-O 2.8Å; F203-A222 PolarHBondContact O-N 2.72Å; F203-E484 HydrophobicContact CE2-CB 3.82Å; F203-E484 HydrophobicContact CZ-CB 3.76Å; F203-H485 HydrophobicContact CD1-CB 3.67Å; F203-H485 HydrophobicContact CE1-CB 3.73Å; F203-H485 HydrophobicContact CG-CB 4.18Å; F203-H485 HydrophobicContact CZ-CB 4.29Å; F203-A488 HydrophobicContact CB-CB 4.2Å; F203-A488 HydrophobicContact CD2-CB 3.76Å; F203-A488 HydrophobicContact CG-CB 4.37Å
204	V	97.6	Very high	88.9	Confident	12 Å²	12	44 Å²	44	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.6	162.5	179.4	0	0	0	0	106.1	L104 T105 I112 H150 V219 L220 I221	L104-V204 HydrophobicContact CD2-CB 3.69Å; L104-V204 HydrophobicContact CD2-CG1 3.74Å; L104-V204 WeakPolarHBondContact CD2-O 3.5Å; T105-V204 HydrophobicContact CG2-CG1 3.86Å; I112-V204 HydrophobicContact CG2-CG1 4.21Å; I112-V204 HydrophobicContact CG2-CG2 4.46Å; H150-V204 HydrophobicContact CB-CG2 4.09Å; V204-V219 HydrophobicContact CG1-CG1 4.44Å; V204-L220 WeakPolarHBondContact CA-O 3.44Å; V204-I221 HydrophobicContact CG1-CG1 4.42Å; V204-I221 HydrophobicContact CG2-CG1 4.43Å; V204-I221 HydrophobicContact CG2-CG2 4.33Å
205	G	96.1	Very high	89.8	Confident	5 Å²	5	46.4 Å²	46.4	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.2	176.1	0	0	0	0	0	109.6	V219 L220	G205-V219 CarbonylContact O-C 3.54Å; G205-V219 WeakPolarHBondContact O-CA 3.14Å; G205-V219 WeakPolarHBondContact O-CG1 3.31Å; G205-L220 PolarHBondContact N-O 3.17Å; G205-L220 PolarHBondContact O-N 3.41Å
206	F	95.5	Very high	90.7	Very high	72 Å²	72	41.8 Å²	41.8	32%	0.316	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.2	176.4	79.2	-76.3	0	0	0	111.7	L104 T105 R217 L218 V219	L104-F206 WeakPolarHBondContact O-CE1 3.25Å; T105-F206 HydrophobicContact CG2-CB 4.39Å; T105-F206 HydrophobicContact CG2-CD1 4.42Å; T105-F206 WeakPolarHBondContact OG1-CG 3.3Å; F206-R217 HydrophobicContact CB-CG 4.47Å; F206-R217 HydrophobicContact CD2-CG 4.28Å; F206-L218 CarbonylContact C-O 3.49Å; F206-L218 WeakPolarHBondContact CA-O 3.47Å; F206-L218 WeakPolarHBondContact CB-O 3.36Å; F206-V219 HydrophobicContact CB-CG2 4.08Å
207	F	94.7	Very high	91.2	Very high	82 Å²	82	41.5 Å²	41.5	36%	0.36	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.3	170.1	-166.9	-88.1	0	0	0	110.8	I209 L218 V477 L481	F207-I209 HydrophobicContact CD1-CG1 4.03Å; F207-L218 PolarHBondContact N-O 3.16Å; F207-L218 PolarHBondContact O-N 2.67Å; F207-V477 HydrophobicContact CB-CG1 3.57Å; F207-V477 HydrophobicContact CD1-CB 4.25Å; F207-V477 HydrophobicContact CD1-CG1 3.22Å; F207-V477 HydrophobicContact CD1-CG2 4.03Å; F207-V477 HydrophobicContact CD2-CB 4.48Å; F207-V477 HydrophobicContact CD2-CG1 3.57Å; F207-V477 HydrophobicContact CD2-CG2 4.28Å; F207-V477 HydrophobicContact CE1-CB 4.21Å; F207-V477 HydrophobicContact CE1-CG1 3.66Å; F207-V477 HydrophobicContact CE1-CG2 3.5Å; F207-V477 HydrophobicContact CE2-CB 4.46Å; F207-V477 HydrophobicContact CE2-CG1 3.98Å; F207-V477 HydrophobicContact CE2-CG2 3.79Å; F207-V477 HydrophobicContact CG-CB 4.36Å; F207-V477 HydrophobicContact CG-CG1 3.15Å; F207-V477 HydrophobicContact CG-CG2 4.37Å; F207-V477 HydrophobicContact CZ-CB 4.33Å; F207-V477 HydrophobicContact CZ-CG1 4.01Å; F207-V477 HydrophobicContact CZ-CG2 3.36Å; F207-L481 HydrophobicContact CB-CD1 3.9Å; F207-L481 HydrophobicContact CB-CG 4.46Å
208	P	92.4	Very high	91.6	Very high	46 Å²	46	41.2 Å²	41.2	30%	0.299	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.7	173.1	31.2	-31.5	0	0	0	110.7
209	I	88.8	Confident	91.9	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.2	175.4	-57.7	164.1	0	0	0	107.5	F207 L211 L216 L218 L474	F207-I209 HydrophobicContact CD1-CG1 4.03Å; I209-L211 HydrophobicContact CG2-CD1 4.38Å; I209-L211 HydrophobicContact CG2-CD2 4.28Å; I209-L211 HydrophobicContact CG2-CG 4.02Å; I209-L216 HydrophobicContact CB-CB 4.14Å; I209-L216 PolarHBondContact N-O 3.21Å; I209-L216 PolarHBondContact O-N 3.2Å; I209-L218 HydrophobicContact CD1-CB 3.94Å; I209-L474 HydrophobicContact CB-CD2 4.47Å; I209-L474 HydrophobicContact CD1-CD2 3.97Å; I209-L474 HydrophobicContact CG1-CD2 4.01Å; I209-L474 HydrophobicContact CG2-CD2 3.63Å
210	N	87.6	Confident	92	Very high	100 Å²	100	40.2 Å²	40.2	54%	0.535	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	95.5	-179.5	-65.8	-44.2	0	0	0	110.2
211	L	84	Confident	92.1	Very high	59 Å²	59	40 Å²	40	31%	0.309	21%	0.209	S	C	.	.			trans	-92.9	157.8	170.7	-56.2	174.5	0	0	0	109.7	I209 S213 H214 I462	I209-L211 HydrophobicContact CG2-CD1 4.38Å; I209-L211 HydrophobicContact CG2-CD2 4.28Å; I209-L211 HydrophobicContact CG2-CG 4.02Å; L211-S213 PolarHBondContact O-N 2.88Å; L211-H214 WeakPolarHBondContact CA-O 3.44Å; L211-H214 HydrophobicContact CB-CB 4.34Å; L211-H214 WeakPolarHBondContact CB-O 3.28Å; L211-H214 HydrophobicContact CD1-CB 4.45Å; L211-H214 PolarHBondContact N-O 3.43Å; L211-H214 PolarHBondContact O-N 3.45Å; L211-H214 VanDerWaalsContact O-O 3.09Å; L211-I462 HydrophobicContact CD1-CG2 3.34Å
212	P	78.7	Confident	92.2	Very high	118 Å²	118	40 Å²	40	77%	0.766	21%	0.209	S	C	*	.	S	Bend	trans	-53.9	-37.4	179.5	-28.3	35.8	0	0	0	114.3	L649	P212-L649 HydrophobicContact CG-CD1 4.22Å
213	S	79.8	Confident	92.3	Very high	95 Å²	95	40 Å²	40	66%	0.664	21%	0.209	S	C	*	.	S	Bend	trans	-103.4	-14.9	-179.4	53.1	0	0	0	0	114.6	L211	L211-S213 PolarHBondContact O-N 2.88Å
214	H	83.6	Confident	92.2	Very high	50 Å²	50	39.3 Å²	39.3	23%	0.231	21%	0.206	C	C	.	.			trans	-136.9	126.6	-174.3	-63.3	-76.7	0	0	0	111.4	L211 L216 I462	L211-H214 WeakPolarHBondContact CA-O 3.44Å; L211-H214 HydrophobicContact CB-CB 4.34Å; L211-H214 WeakPolarHBondContact CB-O 3.28Å; L211-H214 HydrophobicContact CD1-CB 4.45Å; L211-H214 PolarHBondContact N-O 3.43Å; L211-H214 PolarHBondContact O-N 3.45Å; L211-H214 VanDerWaalsContact O-O 3.09Å; H214-L216 HydrophobicContact CB-CD2 4.14Å; H214-L216 HydrophobicContact CB-CG 4.31Å; H214-I462 HydrophobicContact CB-CD1 4.23Å
215	R	88.4	Confident	92.2	Very high	163 Å²	163	38.9 Å²	38.9	62%	0.615	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	100.7	168.4	-66.3	-177.3	178.5	-175.4	-1.2	108.5	R257	R215-R257 HydrophobicContact CB-CB 4.43Å; R215-R257 WeakPolarHBondContact O-CB 3.23Å; R215-R257 PolarHBondContact O-N 3.22Å
216	L	92.4	Very high	92.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	162.3	178.1	-44.9	178.9	0	0	0	111.2	I209 H214 V254 F255 L457 M460 I462	I209-L216 HydrophobicContact CB-CB 4.14Å; I209-L216 PolarHBondContact N-O 3.21Å; I209-L216 PolarHBondContact O-N 3.2Å; H214-L216 HydrophobicContact CB-CD2 4.14Å; H214-L216 HydrophobicContact CB-CG 4.31Å; L216-V254 HydrophobicContact CB-CG2 4.48Å; L216-V254 HydrophobicContact CD1-CG2 4.16Å; L216-F255 CarbonylContact C-O 3.53Å; L216-F255 VanDerWaalsContact CA-O 3.23Å; L216-F255 WeakPolarHBondContact CA-O 3.28Å; L216-L457 HydrophobicContact CD1-CD2 3.56Å; L216-M460 HydrophobicContact CD1-CE 4.5Å; L216-M460 HydrophobicContact CD1-SD 4.38Å; L216-M460 HydrophobicContact CD2-CE 3.51Å; L216-M460 HydrophobicContact CD2-SD 4.44Å; L216-I462 HydrophobicContact CD1-CD1 3.19Å; L216-I462 HydrophobicContact CD2-CD1 3.97Å; L216-I462 HydrophobicContact CG-CD1 3.95Å
217	R	93.7	Very high	91.9	Very high	9 Å²	9	39.9 Å²	39.9	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.5	164.1	-172.7	175.6	-77.6	128.5	-23.6	109.2	T105 D106 F206 V219 V254 F255 R257	T105-R217 WeakPolarHBondContact OG1-CD 3.5Å; D106-R217 IonicContact OD1-CZ 3.6Å; D106-R217 IonicContact OD1-NH1 3.65Å; D106-R217 PolarHBondContact OD1-NH1 3.08Å; D106-R217 VanDerWaalsContact OD1-NH1 3.13Å; D106-R217 IonicContact OD1-NH2 3.47Å; D106-R217 PolarHBondContact OD1-NH2 3.26Å; D106-R217 IonicContact OD2-CZ 2.75Å; D106-R217 IonicContact OD2-NH1 3.09Å; D106-R217 PolarHBondContact OD2-NH1 3.12Å; D106-R217 IonicContact OD2-NH2 3.97Å; F206-R217 HydrophobicContact CB-CG 4.47Å; F206-R217 HydrophobicContact CD2-CG 4.28Å; R217-V219 HydrophobicContact CG-CG2 3.73Å; R217-V254 WeakPolarHBondContact O-CA 3.47Å; R217-F255 HydrophobicContact CB-CD1 4.27Å; R217-F255 HydrophobicContact CB-CE1 3.79Å; R217-F255 HydrophobicContact CB-CE2 4.36Å; R217-F255 HydrophobicContact CB-CZ 3.84Å; R217-F255 HydrophobicContact CG-CE1 4.12Å; R217-F255 HydrophobicContact CG-CZ 4.29Å; R217-F255 PolarHBondContact N-O 2.87Å; R217-F255 PolarHBondContact O-N 3Å; R217-R257 HydrophobicContact CB-CG 4.11Å; R217-R257 VanDerWaalsContact NH2-NH1 3.17Å
218	L	96.5	Very high	91.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.2	166.8	176.4	63.8	0	0	0	107.5	F206 F207 I209 Q252 V253 V254 L453 L478 L481	F206-L218 CarbonylContact C-O 3.49Å; F206-L218 WeakPolarHBondContact CA-O 3.47Å; F206-L218 WeakPolarHBondContact CB-O 3.36Å; F207-L218 PolarHBondContact N-O 3.16Å; F207-L218 PolarHBondContact O-N 2.67Å; I209-L218 HydrophobicContact CD1-CB 3.94Å; L218-Q252 HydrophobicContact CD1-CG 3.75Å; L218-V253 CarbonylContact C-O 3.54Å; L218-V253 WeakPolarHBondContact CA-O 3.25Å; L218-V254 HydrophobicContact CD1-CB 4.44Å; L218-L453 HydrophobicContact CD1-CD1 4.11Å; L218-L453 HydrophobicContact CD2-CD2 4.36Å; L218-L478 HydrophobicContact CD2-CD1 3.72Å; L218-L481 HydrophobicContact CD2-CD1 3.7Å; L218-L481 HydrophobicContact CG-CD1 3.96Å
219	V	97.6	Very high	91.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.6	177.5	-173.7	0	0	0	0	107.6	T105 V204 G205 F206 R217 I221 V253 F255	T105-V219 HydrophobicContact CG2-CG1 4.15Å; V204-V219 HydrophobicContact CG1-CG1 4.44Å; G205-V219 CarbonylContact O-C 3.54Å; G205-V219 WeakPolarHBondContact O-CA 3.14Å; G205-V219 WeakPolarHBondContact O-CG1 3.31Å; F206-V219 HydrophobicContact CB-CG2 4.08Å; R217-V219 HydrophobicContact CG-CG2 3.73Å; V219-I221 HydrophobicContact CG1-CD1 4.32Å; V219-I221 HydrophobicContact CG1-CG1 3.96Å; V219-V253 HydrophobicContact CB-CB 4.36Å; V219-V253 PolarHBondContact N-O 3.1Å; V219-V253 PolarHBondContact O-N 3.38Å; V219-F255 HydrophobicContact CG2-CE1 3.95Å
220	L	98.4	Very high	91.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.4	174.1	-170.6	65.9	0	0	0	108.2	F203 V204 G205 T250 Q252 L481 Y482 H485	F203-L220 HydrophobicContact CE1-CB 4.4Å; F203-L220 HydrophobicContact CE1-CD2 4.31Å; V204-L220 WeakPolarHBondContact CA-O 3.44Å; G205-L220 PolarHBondContact N-O 3.17Å; G205-L220 PolarHBondContact O-N 3.41Å; L220-T250 HydrophobicContact CD1-CG2 3.61Å; L220-T250 HydrophobicContact CG-CG2 4.25Å; L220-Q252 HydrophobicContact CD1-CB 4.03Å; L220-L481 HydrophobicContact CD2-CB 4.36Å; L220-Y482 HydrophobicContact CD1-CE1 4.33Å; L220-Y482 HydrophobicContact CD1-CE2 4.06Å; L220-Y482 HydrophobicContact CD2-CD1 4.19Å; L220-Y482 HydrophobicContact CD2-CD2 3.97Å; L220-Y482 HydrophobicContact CD2-CE1 4.19Å; L220-Y482 HydrophobicContact CD2-CE2 3.99Å; L220-Y482 HydrophobicContact CD2-CG 4.08Å; L220-H485 HydrophobicContact CD2-CB 3.77Å
221	I	98.5	Very high	92	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.4	180	-59.2	171.7	0	0	0	107.5	I107 F203 V204 V219 R223 T250 E251	I107-I221 HydrophobicContact CD1-CD1 3.75Å; F203-I221 CarbonylContact O-C 3.56Å; F203-I221 WeakPolarHBondContact O-CA 3.24Å; V204-I221 HydrophobicContact CG1-CG1 4.42Å; V204-I221 HydrophobicContact CG2-CG1 4.43Å; V204-I221 HydrophobicContact CG2-CG2 4.33Å; V219-I221 HydrophobicContact CG1-CD1 4.32Å; V219-I221 HydrophobicContact CG1-CG1 3.96Å; I221-R223 HydrophobicContact CG2-CG 3.91Å; I221-T250 CarbonylContact O-C 3.54Å; I221-T250 VanDerWaalsContact O-CA 3.27Å; I221-T250 WeakPolarHBondContact O-CA 3.43Å; I221-E251 PolarHBondContact N-O 3.4Å; I221-E251 PolarHBondContact O-N 2.97Å
222	A	98.2	Very high	92	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.4	170.3	0	0	0	0	0	109.9	G202 F203 V248 E249 H485 L489	G202-A222 VanDerWaalsContact CA-O 3.3Å; G202-A222 WeakPolarHBondContact CA-O 3.26Å; F203-A222 HydrophobicContact CB-CB 4.03Å; F203-A222 PolarHBondContact N-O 2.8Å; F203-A222 PolarHBondContact O-N 2.72Å; A222-V248 HydrophobicContact CB-CG1 3.74Å; A222-E249 CarbonylContact C-O 3.53Å; A222-E249 VanDerWaalsContact CA-O 3.27Å; A222-E249 WeakPolarHBondContact CA-O 3.38Å; A222-H485 VanDerWaalsContact CB-CD2 3.46Å; A222-H485 WeakPolarHBondContact CB-CD2 3.38Å; A222-H485 WeakPolarHBondContact CB-NE2 3.39Å; A222-L489 HydrophobicContact CB-CD1 3.79Å
223	R	97.9	Very high	92.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.5	-179.3	-49.4	-179.3	-175.1	131.6	12.2	108.3	L157 R159 T160 F176 V200 I221 V248 E249 E251	L157-R223 WeakPolarHBondContact O-CD 3.31Å; L157-R223 PolarHBondContact O-NE 2.73Å; R159-R223 VanDerWaalsContact C-CZ 3.43Å; R159-R223 PolarHBondContact O-NH1 3.13Å; R159-R223 VanDerWaalsContact O-NH1 3.16Å; R159-R223 PolarHBondContact O-NH2 3.05Å; T160-R223 VanDerWaalsContact CA-NH1 3.26Å; F176-R223 HydrophobicContact CB-CB 4.18Å; F176-R223 HydrophobicContact CD1-CB 3.49Å; F176-R223 VanDerWaalsContact CD1-CB 3.49Å; F176-R223 HydrophobicContact CE1-CB 3.93Å; F176-R223 WeakPolarHBondContact CE1-O 3.04Å; F176-R223 HydrophobicContact CG-CB 3.82Å; V200-R223 HydrophobicContact CG1-CB 3.99Å; V200-R223 HydrophobicContact CG1-CG 4.02Å; I221-R223 HydrophobicContact CG2-CG 3.91Å; R223-V248 WeakPolarHBondContact O-CA 3.4Å; R223-E249 HydrophobicContact CB-CB 4.47Å; R223-E249 IonicContact CZ-OE1 3.37Å; R223-E249 PolarHBondContact N-O 2.94Å; R223-E249 IonicContact NE-OE1 3.56Å; R223-E249 IonicContact NH1-OE1 3.34Å; R223-E249 PolarHBondContact NH1-OE1 3.47Å; R223-E249 PolarHBondContact O-N 3.48Å; R223-E251 IonicContact CZ-OE2 2.81Å; R223-E251 IonicContact NH1-OE2 3.3Å; R223-E251 IonicContact NH2-OE2 2.67Å; R223-E251 PolarHBondContact NH2-OE2 3.5Å
224	R	96.7	Very high	92.6	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.011	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.6	177.1	-169.1	176.5	179.1	-143.8	-2	109.4	W178 H201 G230 V248	W178-R224 HydrophobicContact CZ2-CB 4.2Å; W178-R224 HydrophobicContact CZ2-CG 3.99Å; W178-R224 PolarHBondContact NE1-O 3.3Å; H201-R224 VanDerWaalsContact O-CB 3.3Å; H201-R224 WeakPolarHBondContact O-CB 3.35Å; H201-R224 PolarHBondContact O-N 3.31Å; R224-G230 PolarHBondContact NH2-O 3.17Å; R224-V248 HydrophobicContact CB-CG2 4.37Å; R224-V248 HydrophobicContact CG-CG2 4.15Å
225	S	96.3	Very high	92.8	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.021	9%	0.086	C	C	.	.			trans	-66.3	136.8	174.2	177.1	0	0	0	0	110.9	R175 K227 E247	R175-S225 WeakPolarHBondContact CG-OG 3.47Å; R175-S225 PolarHBondContact NH1-OG 2.88Å; R175-S225 WeakPolarHBondContact O-CA 3.3Å; S225-K227 PolarHBondContact OG-N 3.29Å; S225-E247 WeakPolarHBondContact CB-O 3.35Å; S225-E247 PolarHBondContact N-O 3.37Å
226	K	94	Very high	92.9	Very high	24 Å²	24	13.3 Å²	13.3	10%	0.104	6%	0.059	C	C	.	.	S	Bend	trans	-83.4	-18.9	169.9	70.3	163.4	-176.9	-169.2	0	113.5	E174 R175 V177 W178 T180 F228 L543	E174-K226 WeakPolarHBondContact O-CE 3.38Å; E174-K226 PolarHBondContact O-NZ 3.28Å; E174-K226 WeakPolarHBondContact OE1-CE 3.32Å; E174-K226 IonicContact OE1-NZ 3.56Å; E174-K226 PolarHBondContact OE1-NZ 3.24Å; R175-K226 WeakPolarHBondContact O-CG 2.91Å; R175-K226 PolarHBondContact O-N 3.1Å; V177-K226 WeakPolarHBondContact O-CD 3.35Å; V177-K226 PolarHBondContact O-NZ 2.77Å; W178-K226 HydrophobicContact CD2-CB 4.31Å; W178-K226 HydrophobicContact CG-CB 4.42Å; T180-K226 PolarHBondContact OG1-NZ 3.05Å; K226-F228 VanDerWaalsContact C-N 3.33Å; K226-F228 PolarHBondContact O-N 2.93Å; K226-L543 HydrophobicContact CB-CD1 4.39Å; K226-L543 HydrophobicContact CB-CD2 3.88Å; K226-L543 HydrophobicContact CD-CD2 4.24Å
227	K	92.1	Very high	92.9	Very high	73 Å²	73	13.3 Å²	13.3	32%	0.317	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35.8	-165.7	-69.6	-70.7	-169.3	-177.5	0	113.3	E174 R175 S225 D243	E174-K227 IonicContact OE1-NZ 3.45Å; E174-K227 PolarHBondContact OE1-NZ 3.35Å; E174-K227 IonicContact OE2-NZ 3.65Å; E174-K227 PolarHBondContact OE2-NZ 3.4Å; R175-K227 HydrophobicContact CB-CG 4.41Å; R175-K227 HydrophobicContact CG-CG 4.06Å; S225-K227 PolarHBondContact OG-N 3.29Å; K227-D243 HydrophobicContact CB-CB 3.99Å; K227-D243 WeakPolarHBondContact CB-OD2 3.42Å
228	F	93.2	Very high	92.9	Very high	33 Å²	33	13 Å²	13	15%	0.145	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	52	173.8	-161.9	-135.7	0	0	0	111.5	K226 K235 R236 N239 D243 A245	K226-F228 VanDerWaalsContact C-N 3.33Å; K226-F228 PolarHBondContact O-N 2.93Å; F228-K235 HydrophobicContact CD2-CD 3.96Å; F228-K235 HydrophobicContact CE1-CD 4.47Å; F228-K235 HydrophobicContact CE2-CD 3.51Å; F228-K235 HydrophobicContact CZ-CD 3.78Å; F228-R236 WeakPolarHBondContact CE1-O 3.44Å; F228-N239 HydrophobicContact CD2-CB 3.88Å; F228-N239 HydrophobicContact CE2-CB 3.94Å; F228-N239 HydrophobicContact CG-CB 4.21Å; F228-N239 HydrophobicContact CZ-CB 4.33Å; F228-D243 HydrophobicContact CB-CB 3.89Å; F228-D243 WeakPolarHBondContact CD1-O 3.43Å; F228-A245 HydrophobicContact CD1-CB 3.66Å; F228-A245 HydrophobicContact CE1-CB 3.83Å
229	A	91.7	Very high	92.5	Very high	5 Å²	5	14 Å²	14	4%	0.041	6%	0.064	C	C	.	.			trans	-83.3	139.5	-178.7	0	0	0	0	0	112.9	W178 Q536 L543	W178-A229 HydrophobicContact CH2-CB 3.73Å; W178-A229 HydrophobicContact CZ2-CB 4.08Å; A229-Q536 PolarHBondContact O-NE2 3.3Å; A229-L543 HydrophobicContact CB-CD1 4.31Å
230	G	89.8	Confident	91.9	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	7%	0.072	C	C	.	.			trans	171.1	-174.7	173.2	0	0	0	0	0	112.9	R224 Y493	R224-G230 PolarHBondContact NH2-O 3.17Å; G230-Y493 WeakPolarHBondContact O-CD2 3.49Å
231	P	89.6	Confident	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.			trans	-77.6	162.9	178.5	15.6	-7.3	0	0	0	114	F233 M234 K235 Y493 D532 Q536	P231-F233 PolarHBondContact O-N 3.37Å; P231-M234 HydrophobicContact CG-CB 3.99Å; P231-M234 HydrophobicContact CG-CG 3.99Å; P231-M234 PolarHBondContact O-N 3.43Å; P231-K235 PolarHBondContact O-N 3.31Å; P231-Y493 CarbonylContact C-O 3.56Å; P231-Y493 VanDerWaalsContact CA-O 3.29Å; P231-Y493 WeakPolarHBondContact CA-O 3.48Å; P231-D532 HydrophobicContact CB-CB 3.68Å; P231-D532 WeakPolarHBondContact CB-OD1 3.44Å; P231-D532 VanDerWaalsContact CB-OD2 3.3Å; P231-D532 WeakPolarHBondContact CB-OD2 3.36Å; P231-D532 HydrophobicContact CG-CB 3.72Å; P231-D532 VanDerWaalsContact CG-O 3.25Å; P231-D532 WeakPolarHBondContact CG-O 3.26Å; P231-Q536 HydrophobicContact CG-CB 4.28Å
232	R	85.8	Confident	91	Very high	34 Å²	34	19 Å²	19	13%	0.128	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.2	-165.4	178.9	177	173.1	-151.6	-3.2	116.9	R236 D436 Y493 A494	R232-R236 VanDerWaalsContact NE-NH2 3.13Å; R232-R236 WeakPolarHBondContact O-CD 3.46Å; R232-R236 WeakPolarHBondContact O-CG 3.3Å; R232-R236 PolarHBondContact O-NE 3.44Å; R232-D436 IonicContact CZ-OD1 3.81Å; R232-D436 IonicContact CZ-OD2 3.79Å; R232-D436 IonicContact NE-OD1 2.82Å; R232-D436 PolarHBondContact NE-OD1 3.11Å; R232-D436 IonicContact NE-OD2 3.46Å; R232-D436 IonicContact NH2-OD1 3.92Å; R232-D436 PolarHBondContact NH2-OD1 3.23Å; R232-D436 IonicContact NH2-OD2 3.44Å; R232-D436 PolarHBondContact NH2-OD2 3.48Å; R232-Y493 VanDerWaalsContact CA-CZ 3.43Å; R232-Y493 HydrophobicContact CB-CD1 4.03Å; R232-Y493 HydrophobicContact CB-CE1 3.76Å; R232-Y493 HydrophobicContact CB-CE2 4.4Å; R232-Y493 HydrophobicContact CG-CD1 4.3Å; R232-Y493 HydrophobicContact CG-CE1 3.72Å; R232-Y493 PolarHBondContact N-O 3.41Å; R232-Y493 PolarHBondContact O-OH 2.7Å; R232-A494 HydrophobicContact CB-CB 4.44Å
233	F	85.6	Confident	90.7	Very high	24 Å²	24	19.4 Å²	19.4	11%	0.105	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16	-180	-66.9	-61.9	0	0	0	113.4	P231 Q283 V285 P292 N528	P231-F233 PolarHBondContact O-N 3.37Å; F233-Q283 HydrophobicContact CD1-CB 4.14Å; F233-Q283 HydrophobicContact CE1-CB 4.37Å; F233-V285 HydrophobicContact CB-CG1 3.81Å; F233-V285 HydrophobicContact CB-CG2 4.26Å; F233-V285 HydrophobicContact CD1-CG1 3.81Å; F233-V285 HydrophobicContact CD2-CG1 3.6Å; F233-V285 HydrophobicContact CE1-CG1 4.23Å; F233-V285 HydrophobicContact CE2-CG1 3.99Å; F233-V285 HydrophobicContact CG-CG1 3.48Å; F233-V285 VanDerWaalsContact CG-CG1 3.48Å; F233-V285 HydrophobicContact CZ-CG1 4.31Å; F233-P292 HydrophobicContact CD1-CG 4.31Å; F233-P292 HydrophobicContact CE1-CG 3.66Å; F233-P292 HydrophobicContact CZ-CG 4.03Å; F233-N528 HydrophobicContact CD2-CB 3.79Å; F233-N528 WeakPolarHBondContact CD2-OD1 3.29Å; F233-N528 HydrophobicContact CE2-CB 4.02Å; F233-N528 WeakPolarHBondContact CE2-ND2 3.36Å
234	M	84.6	Confident	90.6	Very high	39 Å²	39	19.5 Å²	19.5	19%	0.192	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-26.8	176.5	-62.4	-60.7	-66.1	0	0	112.5	P231 L560	P231-M234 HydrophobicContact CG-CB 3.99Å; P231-M234 HydrophobicContact CG-CG 3.99Å; P231-M234 PolarHBondContact O-N 3.43Å; M234-L560 HydrophobicContact CE-CD1 3.9Å; M234-L560 HydrophobicContact CE-CG 4.33Å; M234-L560 HydrophobicContact SD-CD1 4.04Å
235	K	87.8	Confident	90.4	Very high	10 Å²	10	19.4 Å²	19.4	4%	0.043	10%	0.095	C	C	.	.	S	Bend	trans	-131.8	98.8	179	-62	-64.5	177.5	178.7	0	110.4	F228 P231 A245 Y493 Q536 E559	F228-K235 HydrophobicContact CD2-CD 3.96Å; F228-K235 HydrophobicContact CE1-CD 4.47Å; F228-K235 HydrophobicContact CE2-CD 3.51Å; F228-K235 HydrophobicContact CZ-CD 3.78Å; P231-K235 PolarHBondContact O-N 3.31Å; K235-A245 HydrophobicContact CB-CB 4.31Å; K235-A245 VanDerWaalsContact O-CB 3.31Å; K235-A245 WeakPolarHBondContact O-CB 3.35Å; K235-Y493 PolarHBondContact O-OH 3.28Å; K235-Q536 VanDerWaalsContact CE-CD 3.45Å; K235-Q536 VanDerWaalsContact CE-OE1 3.28Å; K235-E559 IonicContact NZ-OE1 3.14Å; K235-E559 PolarHBondContact NZ-OE1 3.43Å; K235-E559 IonicContact NZ-OE2 3.37Å; K235-E559 PolarHBondContact NZ-OE2 2.85Å
236	R	90.9	Very high	90.3	Very high	15 Å²	15	19.5 Å²	19.5	6%	0.057	10%	0.096	C	C	.	.			trans	-131.9	166.8	170.2	-67.6	-175.3	170.7	-131.1	6.2	109.3	F228 R232 W281 V435 D436	F228-R236 WeakPolarHBondContact CE1-O 3.44Å; R232-R236 VanDerWaalsContact NE-NH2 3.13Å; R232-R236 WeakPolarHBondContact O-CD 3.46Å; R232-R236 WeakPolarHBondContact O-CG 3.3Å; R232-R236 PolarHBondContact O-NE 3.44Å; R236-W281 HydrophobicContact CB-CD2 4.48Å; R236-W281 HydrophobicContact CB-CE3 4.44Å; R236-W281 HydrophobicContact CB-CH2 4.22Å; R236-W281 HydrophobicContact CB-CZ2 4.2Å; R236-W281 HydrophobicContact CB-CZ3 4.35Å; R236-W281 HydrophobicContact CG-CH2 4.37Å; R236-W281 VanDerWaalsContact NH1-CH2 3.34Å; R236-V435 PolarHBondContact NH1-O 2.96Å; R236-D436 IonicContact CZ-OD1 2.67Å; R236-D436 IonicContact NH1-OD1 2.71Å; R236-D436 PolarHBondContact NH1-OD1 3.08Å; R236-D436 IonicContact NH2-OD1 2.55Å; R236-D436 PolarHBondContact NH2-OD1 3.29Å
237	G	93.1	Very high	90.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	74.2	-151.3	-176.8	0	0	0	0	0	113	A245 S276 V277 L279 W281	G237-A245 WeakPolarHBondContact O-CB 3.43Å; G237-A245 PolarHBondContact O-N 2.87Å; G237-S276 WeakPolarHBondContact CA-OG 3.19Å; G237-S276 PolarHBondContact N-OG 3.27Å; G237-S276 WeakPolarHBondContact O-CB 3.33Å; G237-V277 CarbonylContact C-O 3.6Å; G237-V277 WeakPolarHBondContact CA-O 3.49Å; G237-L279 CarbonylContact C-O 3.37Å; G237-L279 WeakPolarHBondContact CA-O 3.36Å; G237-W281 VanDerWaalsContact CA-CD1 3.49Å; G237-W281 VanDerWaalsContact CA-NE1 3.26Å
238	A	92.1	Very high	90.7	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-124.1	155	167.7	0	0	0	0	0	110.1	D243 P278 L279 I305	A238-D243 WeakPolarHBondContact CA-O 3.45Å; A238-D243 WeakPolarHBondContact CB-O 3.31Å; A238-P278 HydrophobicContact CB-CB 4.26Å; A238-L279 PolarHBondContact N-O 3.28Å; A238-I305 HydrophobicContact CB-CG2 3.74Å
239	N	89.3	Confident	90.9	Very high	22 Å²	22	13.8 Å²	13.8	12%	0.118	7%	0.071	C	C	.	.			trans	-74	174.8	167.8	68.2	4.2	0	0	0	110.8	F228 D241 G242 D243	F228-N239 HydrophobicContact CD2-CB 3.88Å; F228-N239 HydrophobicContact CE2-CB 3.94Å; F228-N239 HydrophobicContact CG-CB 4.21Å; F228-N239 HydrophobicContact CZ-CB 4.33Å; N239-D241 PolarHBondContact O-N 3.46Å; N239-D241 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact OD1-N 2.63Å; N239-D241 VanDerWaalsContact OD1-N 3.14Å; N239-G242 PolarHBondContact O-N 3.31Å; N239-G242 PolarHBondContact OD1-N 3.47Å; N239-G242 VanDerWaalsContact OD1-N 3.08Å; N239-D243 PolarHBondContact N-O 3.13Å; N239-D243 VanDerWaalsContact N-O 3.13Å; N239-D243 PolarHBondContact ND2-OD2 2.65Å; N239-D243 WeakPolarHBondContact OD1-CA 3.27Å; N239-D243 VanDerWaalsContact OD1-CB 3.32Å; N239-D243 WeakPolarHBondContact OD1-CB 3.16Å; N239-D243 PolarHBondContact OD1-N 2.89Å
240	C	85.1	Confident	91.3	Very high	24 Å²	24	13.6 Å²	13.6	16%	0.162	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.5	176.3	52.8	0	0	0	0	114	G242 A570	C240-G242 VanDerWaalsContact C-N 3.29Å; C240-A570 HydrophobicContact CB-CB 4.19Å
241	D	85.6	Confident	91.7	Very high	81 Å²	81	13.5 Å²	13.5	43%	0.433	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.3	177.9	-58.4	-30.4	0	0	0	112.3	N239 S308	N239-D241 PolarHBondContact O-N 3.46Å; N239-D241 VanDerWaalsContact O-N 3.16Å; N239-D241 PolarHBondContact OD1-N 2.63Å; N239-D241 VanDerWaalsContact OD1-N 3.14Å; D241-S308 WeakPolarHBondContact O-CB 3.5Å; D241-S308 PolarHBondContact O-OG 2.63Å
242	G	90.8	Very high	92.1	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.021	7%	0.069	C	C	.	.			trans	85.9	11	-178.2	0	0	0	0	0	114.6	N239 C240 A244 H309	N239-G242 PolarHBondContact O-N 3.31Å; N239-G242 PolarHBondContact OD1-N 3.47Å; N239-G242 VanDerWaalsContact OD1-N 3.08Å; C240-G242 VanDerWaalsContact C-N 3.29Å; G242-A244 PolarHBondContact O-N 3.47Å; G242-H309 WeakPolarHBondContact O-CA 3.48Å; G242-H309 VanDerWaalsContact O-CB 3.23Å; G242-H309 WeakPolarHBondContact O-CB 3.38Å; G242-H309 PolarHBondContact O-ND1 3.3Å
243	D	93.6	Very high	92.7	Very high	12 Å²	12	11.9 Å²	11.9	6%	0.064	6%	0.063	C	C	.	.			trans	-77.1	112.9	174.3	-58.3	-59	0	0	0	110.6	R175 K227 F228 A238 N239	R175-D243 IonicContact CZ-OD1 2.62Å; R175-D243 IonicContact NH1-OD1 2.74Å; R175-D243 PolarHBondContact NH1-OD1 3.17Å; R175-D243 IonicContact NH2-OD1 3.79Å; R175-D243 PolarHBondContact NH2-OD1 3.35Å; K227-D243 HydrophobicContact CB-CB 3.99Å; K227-D243 WeakPolarHBondContact CB-OD2 3.42Å; F228-D243 HydrophobicContact CB-CB 3.89Å; F228-D243 WeakPolarHBondContact CD1-O 3.43Å; A238-D243 WeakPolarHBondContact CA-O 3.45Å; A238-D243 WeakPolarHBondContact CB-O 3.31Å; N239-D243 PolarHBondContact N-O 3.13Å; N239-D243 VanDerWaalsContact N-O 3.13Å; N239-D243 PolarHBondContact ND2-OD2 2.65Å; N239-D243 WeakPolarHBondContact OD1-CA 3.27Å; N239-D243 VanDerWaalsContact OD1-CB 3.32Å; N239-D243 WeakPolarHBondContact OD1-CB 3.16Å; N239-D243 PolarHBondContact OD1-N 2.89Å
244	A	95	Very high	93.2	Very high	2 Å²	2	10.8 Å²	10.8	2%	0.017	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-71.7	141.2	178.4	0	0	0	0	0	111.5	G242 E247	G242-A244 PolarHBondContact O-N 3.47Å; A244-E247 WeakPolarHBondContact O-CB 3.14Å; A244-E247 PolarHBondContact O-N 3.27Å
245	A	93.4	Very high	93.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	144.8	176.1	0	0	0	0	0	110.6	F228 K235 G237 E247 S276	F228-A245 HydrophobicContact CD1-CB 3.66Å; F228-A245 HydrophobicContact CE1-CB 3.83Å; K235-A245 HydrophobicContact CB-CB 4.31Å; K235-A245 VanDerWaalsContact O-CB 3.31Å; K235-A245 WeakPolarHBondContact O-CB 3.35Å; G237-A245 WeakPolarHBondContact O-CB 3.43Å; G237-A245 PolarHBondContact O-N 2.87Å; A245-E247 PolarHBondContact O-N 3.07Å; A245-S276 WeakPolarHBondContact O-CB 3.49Å; A245-S276 PolarHBondContact O-N 2.82Å
246	N	93.4	Very high	93.9	Very high	5 Å²	5	9 Å²	9	3%	0.027	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	37.1	-177.4	-159.4	35	0	0	0	113.4	V248 Y493	N246-V248 PolarHBondContact O-N 3.06Å; N246-Y493 HydrophobicContact CB-CD1 4.25Å; N246-Y493 HydrophobicContact CB-CD2 3.69Å; N246-Y493 HydrophobicContact CB-CE1 4.12Å; N246-Y493 HydrophobicContact CB-CE2 3.59Å; N246-Y493 HydrophobicContact CB-CG 4.03Å; N246-Y493 VanDerWaalsContact CG-CG 3.49Å; N246-Y493 WeakPolarHBondContact ND2-CD1 3.1Å
247	E	96.5	Very high	93.8	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.028	7%	0.066	C	C	.	.			trans	-66.7	125.7	173.2	-175.1	-170.1	171.8	0	0	110.1	R175 S225 A244 A245 R274 R316	R175-E247 IonicContact CZ-OE2 2.78Å; R175-E247 IonicContact NE-OE2 3.2Å; R175-E247 IonicContact NH1-OE2 3.52Å; R175-E247 PolarHBondContact NH1-OE2 3.26Å; S225-E247 WeakPolarHBondContact CB-O 3.35Å; S225-E247 PolarHBondContact N-O 3.37Å; A244-E247 WeakPolarHBondContact O-CB 3.14Å; A244-E247 PolarHBondContact O-N 3.27Å; A245-E247 PolarHBondContact O-N 3.07Å; E247-R274 CarbonylContact C-O 3.6Å; E247-R274 VanDerWaalsContact CA-O 3.26Å; E247-R274 WeakPolarHBondContact CA-O 3.45Å; E247-R316 IonicContact OE1-CZ 3.91Å; E247-R316 VanDerWaalsContact OE1-CZ 3.3Å; E247-R316 IonicContact OE1-NH1 3.94Å; E247-R316 PolarHBondContact OE1-NH1 3.46Å; E247-R316 IonicContact OE1-NH2 2.76Å; E247-R316 PolarHBondContact OE1-NH2 3.12Å; E247-R316 IonicContact OE2-NH2 3.28Å
248	V	98	Very high	93.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.8	178.6	-176.5	0	0	0	0	109.2	A222 R223 R224 N246 R274 L489	A222-V248 HydrophobicContact CB-CG1 3.74Å; R223-V248 WeakPolarHBondContact O-CA 3.4Å; R224-V248 HydrophobicContact CB-CG2 4.37Å; R224-V248 HydrophobicContact CG-CG2 4.15Å; N246-V248 PolarHBondContact O-N 3.06Å; V248-R274 HydrophobicContact CB-CG 3.84Å; V248-R274 HydrophobicContact CG2-CG 4.47Å; V248-R274 PolarHBondContact N-O 2.9Å; V248-R274 PolarHBondContact O-N 3.1Å; V248-L489 HydrophobicContact CG1-CD1 3.91Å; V248-L489 HydrophobicContact CG1-CD2 4.1Å; V248-L489 HydrophobicContact CG2-CD2 3.91Å
249	E	98.3	Very high	93.1	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.8	169	-171.2	-163.3	90.4	0	0	109.9	T160 F176 A222 R223 V271 L273 Y317	T160-E249 WeakPolarHBondContact CG2-OE1 3.16Å; F176-E249 HydrophobicContact CE1-CB 4.03Å; F176-E249 HydrophobicContact CZ-CB 3.7Å; A222-E249 CarbonylContact C-O 3.53Å; A222-E249 VanDerWaalsContact CA-O 3.27Å; A222-E249 WeakPolarHBondContact CA-O 3.38Å; R223-E249 HydrophobicContact CB-CB 4.47Å; R223-E249 IonicContact CZ-OE1 3.37Å; R223-E249 PolarHBondContact N-O 2.94Å; R223-E249 IonicContact NE-OE1 3.56Å; R223-E249 IonicContact NH1-OE1 3.34Å; R223-E249 PolarHBondContact NH1-OE1 3.47Å; R223-E249 PolarHBondContact O-N 3.48Å; E249-V271 HydrophobicContact CG-CG1 3.59Å; E249-L273 HydrophobicContact CB-CD2 3.69Å; E249-L273 HydrophobicContact CG-CD2 3.85Å; E249-Y317 VanDerWaalsContact OE2-CE1 3.26Å; E249-Y317 WeakPolarHBondContact OE2-CE1 3.27Å; E249-Y317 VanDerWaalsContact OE2-CZ 3.25Å; E249-Y317 PolarHBondContact OE2-OH 3.06Å
250	T	98.5	Very high	92.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.3	179	-50	0	0	0	0	109	L220 I221 V271 Q272 Q445 Y482 H485	L220-T250 HydrophobicContact CD1-CG2 3.61Å; L220-T250 HydrophobicContact CG-CG2 4.25Å; I221-T250 CarbonylContact O-C 3.54Å; I221-T250 VanDerWaalsContact O-CA 3.27Å; I221-T250 WeakPolarHBondContact O-CA 3.43Å; T250-V271 WeakPolarHBondContact O-CA 3.12Å; T250-Q272 HydrophobicContact CG2-CG 4.49Å; T250-Q272 PolarHBondContact N-O 3.08Å; T250-Q272 PolarHBondContact O-N 2.88Å; T250-Q445 PolarHBondContact OG1-NE2 2.84Å; T250-Y482 HydrophobicContact CG2-CE1 4.43Å; T250-H485 PolarHBondContact OG1-NE2 3.23Å
251	E	98.5	Very high	93	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.9	174.8	-176.9	172.8	-154.5	0	0	110	T160 L161 I221 R223 V253 S269 F270 V271	T160-E251 WeakPolarHBondContact CA-OE2 3.37Å; L161-E251 WeakPolarHBondContact CB-OE1 3.4Å; L161-E251 PolarHBondContact N-OE1 3.38Å; L161-E251 PolarHBondContact N-OE2 2.81Å; I221-E251 PolarHBondContact N-O 3.4Å; I221-E251 PolarHBondContact O-N 2.97Å; R223-E251 IonicContact CZ-OE2 2.81Å; R223-E251 IonicContact NH1-OE2 3.3Å; R223-E251 IonicContact NH2-OE2 2.67Å; R223-E251 PolarHBondContact NH2-OE2 3.5Å; E251-V253 HydrophobicContact CG-CG2 3.78Å; E251-S269 VanDerWaalsContact OE1-CB 3.25Å; E251-S269 WeakPolarHBondContact OE1-CB 3.28Å; E251-S269 PolarHBondContact OE1-OG 2.84Å; E251-F270 WeakPolarHBondContact CA-O 3.29Å; E251-V271 HydrophobicContact CB-CG2 4.14Å; E251-V271 HydrophobicContact CG-CG2 3.87Å
252	Q	98.3	Very high	93	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115	171.5	178.8	-177.4	-64.5	0	0	108.9	L218 L220 S269 F270 G449 Y482	L218-Q252 HydrophobicContact CD1-CG 3.75Å; L220-Q252 HydrophobicContact CD1-CB 4.03Å; Q252-S269 CarbonylContact O-C 3.52Å; Q252-S269 WeakPolarHBondContact O-CA 3.39Å; Q252-F270 PolarHBondContact N-O 2.84Å; Q252-F270 PolarHBondContact O-N 3.15Å; Q252-G449 PolarHBondContact NE2-O 2.62Å; Q252-G449 VanDerWaalsContact OE1-CA 3.23Å; Q252-G449 PolarHBondContact OE1-O 3.01Å; Q252-Y482 PolarHBondContact OE1-OH 2.94Å
253	V	98	Very high	92.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.2	178.9	-173.1	0	0	0	0	109.7	L161 L218 V219 E251 F255 A268	L161-V253 HydrophobicContact CD2-CG1 3.78Å; L218-V253 CarbonylContact C-O 3.54Å; L218-V253 WeakPolarHBondContact CA-O 3.25Å; V219-V253 HydrophobicContact CB-CB 4.36Å; V219-V253 PolarHBondContact N-O 3.1Å; V219-V253 PolarHBondContact O-N 3.38Å; E251-V253 HydrophobicContact CG-CG2 3.78Å; V253-F255 HydrophobicContact CG1-CD1 4.04Å; V253-A268 CarbonylContact C-O 3.44Å; V253-A268 WeakPolarHBondContact CA-O 3.5Å
254	V	96.5	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.9	167.8	62.7	0	0	0	0	109.4	L216 R217 L218 A268 L453 Q456 L457 M460	L216-V254 HydrophobicContact CB-CG2 4.48Å; L216-V254 HydrophobicContact CD1-CG2 4.16Å; R217-V254 WeakPolarHBondContact O-CA 3.47Å; L218-V254 HydrophobicContact CD1-CB 4.44Å; V254-A268 HydrophobicContact CG1-CB 3.95Å; V254-A268 PolarHBondContact N-O 3.41Å; V254-A268 PolarHBondContact O-N 3.25Å; V254-L453 HydrophobicContact CB-CD1 4.34Å; V254-L453 HydrophobicContact CG1-CD1 4.48Å; V254-L453 HydrophobicContact CG2-CD1 4.42Å; V254-Q456 HydrophobicContact CG1-CB 3.67Å; V254-Q456 HydrophobicContact CG1-CG 4.16Å; V254-L457 HydrophobicContact CG2-CD2 4.46Å; V254-M460 HydrophobicContact CG1-SD 4.43Å; V254-M460 HydrophobicContact CG2-SD 4.29Å
255	F	95.2	Very high	91.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.4	-179.6	69.8	-86.8	0	0	0	113.5	D106 I107 L216 R217 V219 V253 R257 Q266 F267	D106-F255 VanDerWaalsContact O-CZ 3.26Å; D106-F255 WeakPolarHBondContact O-CZ 3.21Å; I107-F255 HydrophobicContact CG2-CE1 4.38Å; L216-F255 CarbonylContact C-O 3.53Å; L216-F255 VanDerWaalsContact CA-O 3.23Å; L216-F255 WeakPolarHBondContact CA-O 3.28Å; R217-F255 HydrophobicContact CB-CD1 4.27Å; R217-F255 HydrophobicContact CB-CE1 3.79Å; R217-F255 HydrophobicContact CB-CE2 4.36Å; R217-F255 HydrophobicContact CB-CZ 3.84Å; R217-F255 HydrophobicContact CG-CE1 4.12Å; R217-F255 HydrophobicContact CG-CZ 4.29Å; R217-F255 PolarHBondContact N-O 2.87Å; R217-F255 PolarHBondContact O-N 3Å; V219-F255 HydrophobicContact CG2-CE1 3.95Å; V253-F255 HydrophobicContact CG1-CD1 4.04Å; F255-R257 HydrophobicContact CE2-CG 4.28Å; F255-Q266 CarbonylContact C-O 3.19Å; F255-Q266 WeakPolarHBondContact CA-O 3.48Å; F255-Q266 VanDerWaalsContact CB-O 3.26Å; F255-Q266 WeakPolarHBondContact CB-O 3.38Å; F255-F267 HydrophobicContact CB-CB 4.18Å; F255-F267 HydrophobicContact CB-CD1 3.22Å; F255-F267 HydrophobicContact CB-CE1 3.56Å; F255-F267 HydrophobicContact CB-CG 3.75Å; F255-F267 HydrophobicContact CB-CZ 4.34Å; F255-F267 HydrophobicContact CD1-CD1 4.18Å; F255-F267 HydrophobicContact CD1-CE1 4.15Å; F255-F267 HydrophobicContact CD2-CD1 4.06Å; F255-F267 AromaticContact CD2-CE1 3.44Å; F255-F267 HydrophobicContact CD2-CE1 3.44Å; F255-F267 VanDerWaalsContact CD2-CE1 3.44Å; F255-F267 AromaticContact CD2-CZ 3.96Å; F255-F267 HydrophobicContact CD2-CZ 3.96Å; F255-F267 HydrophobicContact CE2-CE1 4.1Å; F255-F267 AromaticContact CG-CD1 3.59Å; F255-F267 HydrophobicContact CG-CD1 3.59Å; F255-F267 AromaticContact CG-CE1 3.46Å; F255-F267 HydrophobicContact CG-CE1 3.46Å; F255-F267 VanDerWaalsContact CG-CE1 3.46Å; F255-F267 HydrophobicContact CG-CZ 4.34Å
256	S	91.5	Very high	91.8	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.7	173.6	-178.1	0	0	0	0	110.4	S258 Q266	S256-S258 PolarHBondContact O-N 3.41Å; S256-S258 PolarHBondContact OG-OG 2.8Å; S256-Q266 PolarHBondContact N-O 3.49Å
257	R	88.3	Confident	91.8	Very high	108 Å²	108	34.2 Å²	34.2	41%	0.408	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.4	177.9	-67.1	-173.2	62.5	169.3	1.1	113.5	R215 R217 F255 V259	R215-R257 HydrophobicContact CB-CB 4.43Å; R215-R257 WeakPolarHBondContact O-CB 3.23Å; R215-R257 PolarHBondContact O-N 3.22Å; R217-R257 HydrophobicContact CB-CG 4.11Å; R217-R257 VanDerWaalsContact NH2-NH1 3.17Å; F255-R257 HydrophobicContact CE2-CG 4.28Å; R257-V259 VanDerWaalsContact C-N 3.33Å; R257-V259 PolarHBondContact O-N 3.02Å
258	S	85.8	Confident	91.8	Very high	87 Å²	87	34 Å²	34	61%	0.608	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-34	-176.1	-48.2	0	0	0	0	112.2	S256	S256-S258 PolarHBondContact O-N 3.41Å; S256-S258 PolarHBondContact OG-OG 2.8Å
259	V	85.5	Confident	91.8	Very high	59 Å²	59	34 Å²	34	36%	0.358	18%	0.178	S	C	.	.			trans	-129.7	98.5	179.6	-177.8	0	0	0	0	108.8	R257 S261 T264 G265	R257-V259 VanDerWaalsContact C-N 3.33Å; R257-V259 PolarHBondContact O-N 3.02Å; V259-S261 VanDerWaalsContact C-N 3.28Å; V259-S261 PolarHBondContact O-N 3.32Å; V259-T264 VanDerWaalsContact CG1-OG1 3.27Å; V259-T264 WeakPolarHBondContact CG1-OG1 3.38Å; V259-G265 WeakPolarHBondContact O-CA 3.19Å
260	P	85.4	Confident	91.7	Very high	21 Å²	21	33.8 Å²	33.8	14%	0.136	18%	0.177	C	C	.	.			trans	-74.2	-9.2	-176.1	24.3	-33.1	0	0	0	115.2	G108 Y109 F267	G108-P260 VanDerWaalsContact C-CB 3.5Å; G108-P260 WeakPolarHBondContact CA-O 3.06Å; Y109-P260 HydrophobicContact CD1-CB 3.85Å; Y109-P260 HydrophobicContact CD1-CG 3.79Å; Y109-P260 HydrophobicContact CD2-CB 4.2Å; Y109-P260 HydrophobicContact CE1-CB 3.81Å; Y109-P260 HydrophobicContact CE1-CG 3.24Å; Y109-P260 HydrophobicContact CE2-CB 4.17Å; Y109-P260 HydrophobicContact CE2-CG 4.05Å; Y109-P260 HydrophobicContact CG-CB 4.06Å; Y109-P260 HydrophobicContact CG-CG 4.4Å; P260-F267 WeakPolarHBondContact O-CZ 3.48Å
261	S	86.7	Confident	91.7	Very high	24 Å²	24	34.1 Å²	34.1	17%	0.168	18%	0.179	C	C	.	.			trans	-76.2	130.2	179.2	-178.4	0	0	0	0	111.9	V259 K263 T264 G265 F267	V259-S261 VanDerWaalsContact C-N 3.28Å; V259-S261 PolarHBondContact O-N 3.32Å; S261-K263 PolarHBondContact O-N 3.38Å; S261-K263 VanDerWaalsContact O-N 3.17Å; S261-K263 PolarHBondContact OG-N 3.32Å; S261-T264 PolarHBondContact O-N 2.87Å; S261-G265 VanDerWaalsContact O-CA 3.26Å; S261-G265 WeakPolarHBondContact O-CA 3.35Å; S261-G265 PolarHBondContact O-N 3.25Å; S261-F267 WeakPolarHBondContact O-CE2 3.18Å
262	F	86.7	Confident	91.7	Very high	36 Å²	36	34.1 Å²	34.1	16%	0.158	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.2	174.5	-60.9	-38	0	0	0	114.6	I107 H110 Y155 L161 V165 F267	I107-F262 HydrophobicContact CG2-CE1 3.84Å; I107-F262 HydrophobicContact CG2-CZ 3.99Å; H110-F262 AromaticContact CD2-CE2 3.55Å; H110-F262 AromaticContact CD2-CZ 3.54Å; H110-F262 AromaticContact NE2-CE2 3.45Å; H110-F262 WeakPolarHBondContact NE2-CE2 3.35Å; H110-F262 AromaticContact NE2-CZ 3.95Å; Y155-F262 HydrophobicContact CD2-CE2 4.3Å; Y155-F262 HydrophobicContact CD2-CZ 4.25Å; Y155-F262 HydrophobicContact CE2-CE2 4.2Å; Y155-F262 HydrophobicContact CE2-CZ 4.01Å; L161-F262 HydrophobicContact CD1-CD1 4.14Å; L161-F262 HydrophobicContact CD1-CE1 3.69Å; L161-F262 HydrophobicContact CD1-CE2 4.45Å; L161-F262 HydrophobicContact CD1-CZ 3.85Å; V165-F262 HydrophobicContact CG2-CB 3.92Å; V165-F262 HydrophobicContact CG2-CD2 4.1Å; V165-F262 HydrophobicContact CG2-CG 3.95Å; F262-F267 AromaticContact CD1-CD1 3.88Å; F262-F267 HydrophobicContact CD1-CD1 3.88Å; F262-F267 AromaticContact CD1-CD2 3.94Å; F262-F267 HydrophobicContact CD1-CD2 3.94Å; F262-F267 AromaticContact CD1-CE1 3.71Å; F262-F267 HydrophobicContact CD1-CE1 3.71Å; F262-F267 AromaticContact CD1-CE2 3.77Å; F262-F267 HydrophobicContact CD1-CE2 3.77Å; F262-F267 HydrophobicContact CD1-CG 4.02Å; F262-F267 AromaticContact CD1-CZ 3.66Å; F262-F267 HydrophobicContact CD1-CZ 3.66Å; F262-F267 AromaticContact CE1-CD1 3.84Å; F262-F267 HydrophobicContact CE1-CD1 3.84Å; F262-F267 AromaticContact CE1-CE1 3.52Å; F262-F267 HydrophobicContact CE1-CE1 3.52Å; F262-F267 HydrophobicContact CE1-CE2 4.41Å; F262-F267 HydrophobicContact CE1-CG 4.44Å; F262-F267 AromaticContact CE1-CZ 3.85Å; F262-F267 HydrophobicContact CE1-CZ 3.85Å
263	K	82.9	Confident	91.7	Very high	194 Å²	194	34.3 Å²	34.3	84%	0.843	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-35.7	-178	-66	-177.9	-179.7	176.2	0	112.9	S261	S261-K263 PolarHBondContact O-N 3.38Å; S261-K263 VanDerWaalsContact O-N 3.17Å; S261-K263 PolarHBondContact OG-N 3.32Å
264	T	84.2	Confident	91.7	Very high	110 Å²	110	34.5 Å²	34.5	68%	0.675	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-18.2	-173.2	54.6	0	0	0	0	113.2	V259 S261	V259-T264 VanDerWaalsContact CG1-OG1 3.27Å; V259-T264 WeakPolarHBondContact CG1-OG1 3.38Å; S261-T264 PolarHBondContact O-N 2.87Å
265	G	87.6	Confident	91.6	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-83	162.6	179.5	0	0	0	0	0	113.1	V259 S261 T396	V259-G265 WeakPolarHBondContact O-CA 3.19Å; S261-G265 VanDerWaalsContact O-CA 3.26Å; S261-G265 WeakPolarHBondContact O-CA 3.35Å; S261-G265 PolarHBondContact O-N 3.25Å; G265-T396 PolarHBondContact O-OG1 2.83Å
266	Q	91.2	Very high	91.7	Very high	55 Å²	55	34.7 Å²	34.7	26%	0.257	18%	0.183	S	C	.	.			trans	-93.1	104.9	179	-64.1	178.6	-38.7	0	0	109.5	F255 S256 F397 M460	F255-Q266 CarbonylContact C-O 3.19Å; F255-Q266 WeakPolarHBondContact CA-O 3.48Å; F255-Q266 VanDerWaalsContact CB-O 3.26Å; F255-Q266 WeakPolarHBondContact CB-O 3.38Å; S256-Q266 PolarHBondContact N-O 3.49Å; Q266-F397 VanDerWaalsContact CA-CD1 3.46Å; Q266-F397 HydrophobicContact CB-CB 4.36Å; Q266-F397 HydrophobicContact CB-CD1 3.59Å; Q266-F397 HydrophobicContact CB-CE1 4.01Å; Q266-F397 HydrophobicContact CB-CG 3.95Å; Q266-F397 HydrophobicContact CG-CB 3.9Å; Q266-F397 HydrophobicContact CG-CD1 4.04Å; Q266-F397 HydrophobicContact CG-CD2 4.43Å; Q266-F397 HydrophobicContact CG-CG 3.85Å; Q266-M460 HydrophobicContact CB-CE 3.99Å
267	F	95	Very high	91.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.7	175.4	-63.6	-100.7	0	0	0	109.2	I107 L161 F255 P260 S261 F262 Q395 T396 F397	I107-F267 HydrophobicContact CG2-CD1 4.45Å; I107-F267 HydrophobicContact CG2-CE1 4.23Å; L161-F267 HydrophobicContact CD2-CB 3.94Å; L161-F267 HydrophobicContact CD2-CD1 4.42Å; F255-F267 HydrophobicContact CB-CB 4.18Å; F255-F267 HydrophobicContact CB-CD1 3.22Å; F255-F267 HydrophobicContact CB-CE1 3.56Å; F255-F267 HydrophobicContact CB-CG 3.75Å; F255-F267 HydrophobicContact CB-CZ 4.34Å; F255-F267 HydrophobicContact CD1-CD1 4.18Å; F255-F267 HydrophobicContact CD1-CE1 4.15Å; F255-F267 HydrophobicContact CD2-CD1 4.06Å; F255-F267 AromaticContact CD2-CE1 3.44Å; F255-F267 HydrophobicContact CD2-CE1 3.44Å; F255-F267 VanDerWaalsContact CD2-CE1 3.44Å; F255-F267 AromaticContact CD2-CZ 3.96Å; F255-F267 HydrophobicContact CD2-CZ 3.96Å; F255-F267 HydrophobicContact CE2-CE1 4.1Å; F255-F267 AromaticContact CG-CD1 3.59Å; F255-F267 HydrophobicContact CG-CD1 3.59Å; F255-F267 AromaticContact CG-CE1 3.46Å; F255-F267 HydrophobicContact CG-CE1 3.46Å; F255-F267 VanDerWaalsContact CG-CE1 3.46Å; F255-F267 HydrophobicContact CG-CZ 4.34Å; P260-F267 WeakPolarHBondContact O-CZ 3.48Å; S261-F267 WeakPolarHBondContact O-CE2 3.18Å; F262-F267 AromaticContact CD1-CD1 3.88Å; F262-F267 HydrophobicContact CD1-CD1 3.88Å; F262-F267 AromaticContact CD1-CD2 3.94Å; F262-F267 HydrophobicContact CD1-CD2 3.94Å; F262-F267 AromaticContact CD1-CE1 3.71Å; F262-F267 HydrophobicContact CD1-CE1 3.71Å; F262-F267 AromaticContact CD1-CE2 3.77Å; F262-F267 HydrophobicContact CD1-CE2 3.77Å; F262-F267 HydrophobicContact CD1-CG 4.02Å; F262-F267 AromaticContact CD1-CZ 3.66Å; F262-F267 HydrophobicContact CD1-CZ 3.66Å; F262-F267 AromaticContact CE1-CD1 3.84Å; F262-F267 HydrophobicContact CE1-CD1 3.84Å; F262-F267 AromaticContact CE1-CE1 3.52Å; F262-F267 HydrophobicContact CE1-CE1 3.52Å; F262-F267 HydrophobicContact CE1-CE2 4.41Å; F262-F267 HydrophobicContact CE1-CG 4.44Å; F262-F267 AromaticContact CE1-CZ 3.85Å; F262-F267 HydrophobicContact CE1-CZ 3.85Å; F267-Q395 CarbonylContact O-C 3.53Å; F267-Q395 VanDerWaalsContact O-CA 3.27Å; F267-Q395 WeakPolarHBondContact O-CA 3.29Å; F267-T396 HydrophobicContact CB-CG2 4.03Å; F267-T396 PolarHBondContact N-OG1 2.93Å; F267-T396 PolarHBondContact O-N 2.83Å; F267-T396 PolarHBondContact O-OG1 2.67Å; F267-F397 WeakPolarHBondContact O-CE1 3.3Å
268	A	95.6	Very high	92.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.4	168.2	0	0	0	0	0	109.5	V253 V254 F394 Q395 F397 Q456	V253-A268 CarbonylContact C-O 3.44Å; V253-A268 WeakPolarHBondContact CA-O 3.5Å; V254-A268 HydrophobicContact CG1-CB 3.95Å; V254-A268 PolarHBondContact N-O 3.41Å; V254-A268 PolarHBondContact O-N 3.25Å; A268-F394 CarbonylContact C-O 3.58Å; A268-F394 WeakPolarHBondContact CA-O 3.22Å; A268-F394 WeakPolarHBondContact CB-O 3.43Å; A268-Q395 HydrophobicContact CB-CB 3.86Å; A268-F397 HydrophobicContact CB-CE1 4.05Å; A268-F397 HydrophobicContact CB-CZ 4.31Å; A268-Q456 HydrophobicContact CB-CB 4.17Å; A268-Q456 HydrophobicContact CB-CG 3.78Å
269	S	97.2	Very high	92.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.1	172.1	72.5	0	0	0	0	112.9	E251 Q252 F394	E251-S269 VanDerWaalsContact OE1-CB 3.25Å; E251-S269 WeakPolarHBondContact OE1-CB 3.28Å; E251-S269 PolarHBondContact OE1-OG 2.84Å; Q252-S269 CarbonylContact O-C 3.52Å; Q252-S269 WeakPolarHBondContact O-CA 3.39Å; S269-F394 PolarHBondContact N-O 2.97Å; S269-F394 PolarHBondContact O-N 2.79Å
270	F	98.2	Very high	92.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.5	174.8	175.3	-111.9	0	0	0	108.6	E251 Q252 Q272 V387 L388 W393 P430 A448 A452	E251-F270 WeakPolarHBondContact CA-O 3.29Å; Q252-F270 PolarHBondContact N-O 2.84Å; Q252-F270 PolarHBondContact O-N 3.15Å; F270-Q272 HydrophobicContact CE1-CB 4.17Å; F270-Q272 HydrophobicContact CE1-CG 4.39Å; F270-V387 HydrophobicContact CZ-CG1 4.47Å; F270-L388 HydrophobicContact CD2-CD2 3.96Å; F270-L388 HydrophobicContact CE2-CD2 3.59Å; F270-L388 HydrophobicContact CZ-CD2 4.04Å; F270-W393 HydrophobicContact CB-CB 4.28Å; F270-W393 HydrophobicContact CD2-CB 4.15Å; F270-P430 HydrophobicContact CE2-CG 4.45Å; F270-P430 HydrophobicContact CZ-CG 3.88Å; F270-A448 HydrophobicContact CE1-CB 4.22Å; F270-A452 HydrophobicContact CB-CB 3.75Å; F270-A452 HydrophobicContact CD1-CB 3.52Å; F270-A452 HydrophobicContact CD2-CB 4.13Å; F270-A452 HydrophobicContact CE1-CB 4.09Å; F270-A452 HydrophobicContact CG-CB 3.52Å
271	V	98.5	Very high	93.2	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.042	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	-175.9	179.9	0	0	0	0	109.3	T160 E249 T250 E251 Y317 Q426 V429	T160-V271 HydrophobicContact CG2-CG1 4.25Å; T160-V271 HydrophobicContact CG2-CG2 3.75Å; E249-V271 HydrophobicContact CG-CG1 3.59Å; T250-V271 WeakPolarHBondContact O-CA 3.12Å; E251-V271 HydrophobicContact CB-CG2 4.14Å; E251-V271 HydrophobicContact CG-CG2 3.87Å; V271-Y317 HydrophobicContact CG1-CD1 4.5Å; V271-Y317 HydrophobicContact CG1-CE1 4.03Å; V271-Q426 PolarHBondContact O-NE2 3.38Å; V271-V429 HydrophobicContact CG1-CG2 4.46Å
272	Q	98.2	Very high	93.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.7	176.1	58	-178.3	-30.9	0	0	110.9	T250 F270 P430 Q445 Y482	T250-Q272 HydrophobicContact CG2-CG 4.49Å; T250-Q272 PolarHBondContact N-O 3.08Å; T250-Q272 PolarHBondContact O-N 2.88Å; F270-Q272 HydrophobicContact CE1-CB 4.17Å; F270-Q272 HydrophobicContact CE1-CG 4.39Å; Q272-P430 HydrophobicContact CB-CG 3.71Å; Q272-Q445 HydrophobicContact CG-CG 4.39Å; Q272-Q445 PolarHBondContact NE2-O 3.34Å; Q272-Q445 PolarHBondContact OE1-O 3.46Å; Q272-Y482 PolarHBondContact NE2-OH 3.06Å
273	L	98	Very high	93.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	148.8	-179.8	-68.7	172.9	0	0	0	111.4	E249 L313 Y317 V429 P430 R431 T432	E249-L273 HydrophobicContact CB-CD2 3.69Å; E249-L273 HydrophobicContact CG-CD2 3.85Å; L273-L313 HydrophobicContact CD1-CD1 4.5Å; L273-L313 HydrophobicContact CD1-CD2 3.35Å; L273-Y317 HydrophobicContact CD1-CD2 4.04Å; L273-Y317 HydrophobicContact CD1-CE2 3.57Å; L273-Y317 HydrophobicContact CD2-CE2 4.3Å; L273-Y317 HydrophobicContact CG-CE2 4.32Å; L273-V429 HydrophobicContact CB-CG2 4.39Å; L273-V429 HydrophobicContact CD1-CB 4.44Å; L273-V429 HydrophobicContact CD1-CG1 3.63Å; L273-V429 HydrophobicContact CD1-CG2 3.97Å; L273-V429 HydrophobicContact CG-CG1 4.35Å; L273-V429 HydrophobicContact CG-CG2 3.75Å; L273-P430 PolarHBondContact N-O 3.49Å; L273-R431 HydrophobicContact CB-CB 4.36Å; L273-T432 PolarHBondContact O-N 2.86Å; L273-T432 PolarHBondContact O-OG1 2.88Å
274	R	97	Very high	93.2	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.019	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.8	159.1	59.7	174.1	150	-158.7	9.6	110.6	E247 V248 T432 N442 H485	E247-R274 CarbonylContact C-O 3.6Å; E247-R274 VanDerWaalsContact CA-O 3.26Å; E247-R274 WeakPolarHBondContact CA-O 3.45Å; V248-R274 HydrophobicContact CB-CG 3.84Å; V248-R274 HydrophobicContact CG2-CG 4.47Å; V248-R274 PolarHBondContact N-O 2.9Å; V248-R274 PolarHBondContact O-N 3.1Å; R274-T432 VanDerWaalsContact CA-O 3.25Å; R274-T432 WeakPolarHBondContact CA-O 3.33Å; R274-T432 WeakPolarHBondContact CB-OG1 3.4Å; R274-N442 PolarHBondContact NH1-OD1 3.39Å; R274-N442 VanDerWaalsContact NH1-OD1 3.16Å; R274-H485 PolarHBondContact NH2-CE1 3.47Å; R274-H485 PolarHBondContact NH2-ND1 3.13Å; R274-H485 PolarHBondContact NH2-NE2 2.82Å
275	G	96	Very high	92.8	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.031	7%	0.068	C	C	.	.			trans	-179.9	162.5	176.7	0	0	0	0	0	110.9	T432 N433 C437	G275-T432 PolarHBondContact N-O 3.46Å; G275-N433 WeakPolarHBondContact O-CB 3.43Å; G275-C437 PolarHBondContact O-SG 2.89Å
276	S	95.5	Very high	92	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.021	10%	0.095	C	C	.	.			trans	-54.3	160.8	178.1	179.4	0	0	0	0	112.2	G237 A245 W281 R431	G237-S276 WeakPolarHBondContact CA-OG 3.19Å; G237-S276 PolarHBondContact N-OG 3.27Å; G237-S276 WeakPolarHBondContact O-CB 3.33Å; A245-S276 WeakPolarHBondContact O-CB 3.49Å; A245-S276 PolarHBondContact O-N 2.82Å; S276-W281 WeakPolarHBondContact OG-CZ2 3.39Å; S276-R431 PolarHBondContact O-NH2 3.49Å
277	V	96.1	Very high	90.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.			trans	-56.4	128.1	166.4	176.3	0	0	0	0	108.1	G237 L279 W281 V327 L339 F343 N433	G237-V277 CarbonylContact C-O 3.6Å; G237-V277 WeakPolarHBondContact CA-O 3.49Å; V277-L279 HydrophobicContact CG1-CB 4.39Å; V277-L279 HydrophobicContact CG1-CD1 3.75Å; V277-L279 HydrophobicContact CG1-CG 3.85Å; V277-L279 PolarHBondContact O-N 2.84Å; V277-W281 PolarHBondContact O-NE1 3.12Å; V277-V327 HydrophobicContact CG2-CG2 4.07Å; V277-L339 HydrophobicContact CG2-CB 4.42Å; V277-F343 HydrophobicContact CG1-CB 3.76Å; V277-F343 HydrophobicContact CG1-CD1 4.05Å; V277-F343 HydrophobicContact CG1-CD2 4.38Å; V277-F343 HydrophobicContact CG1-CG 3.82Å; V277-F343 HydrophobicContact CG2-CD1 4.49Å; V277-N433 VanDerWaalsContact CG2-ND2 3.29Å; V277-N433 WeakPolarHBondContact CG2-ND2 3.47Å
278	P	95	Very high	89.4	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-88.8	54.8	-165.6	40.6	-32.2	0	0	0	110.6	A238 A306 H309 F343 R431	A238-P278 HydrophobicContact CB-CB 4.26Å; P278-A306 HydrophobicContact CG-CB 4.4Å; P278-H309 HydrophobicContact CB-CB 3.95Å; P278-F343 HydrophobicContact CG-CD2 4.03Å; P278-F343 HydrophobicContact CG-CE2 3.51Å; P278-F343 HydrophobicContact CG-CZ 4.08Å; P278-R431 VanDerWaalsContact CG-NH2 3.26Å
279	L	93.5	Very high	87.9	Confident	14 Å²	14	29 Å²	29	7%	0.073	16%	0.163	C	C	.	.	S	Bend	trans	-122	164.8	176.7	-59	173.1	0	0	0	107.9	G237 A238 V277 W281 E342 F343 A346	G237-L279 CarbonylContact C-O 3.37Å; G237-L279 WeakPolarHBondContact CA-O 3.36Å; A238-L279 PolarHBondContact N-O 3.28Å; V277-L279 HydrophobicContact CG1-CB 4.39Å; V277-L279 HydrophobicContact CG1-CD1 3.75Å; V277-L279 HydrophobicContact CG1-CG 3.85Å; V277-L279 PolarHBondContact O-N 2.84Å; L279-W281 VanDerWaalsContact O-CD1 3.25Å; L279-W281 PolarHBondContact O-N 3.25Å; L279-E342 HydrophobicContact CD1-CB 3.59Å; L279-F343 HydrophobicContact CD1-CB 4.2Å; L279-A346 HydrophobicContact CD2-CB 4.31Å
280	I	91.2	Very high	86.5	Confident	11 Å²	11	32.8 Å²	32.8	6%	0.056	20%	0.203	C	C	.	.			trans	-86	104.8	169.7	-70.9	166.3	0	0	0	108.5	D297 L298 I305 C563	I280-D297 HydrophobicContact CG2-CB 3.88Å; I280-D297 PolarHBondContact O-N 2.86Å; I280-D297 VanDerWaalsContact O-N 3.09Å; I280-L298 HydrophobicContact CB-CB 3.97Å; I280-L298 HydrophobicContact CD1-CB 3.99Å; I280-L298 HydrophobicContact CD1-CD2 3.57Å; I280-L298 HydrophobicContact CD1-CG 4.41Å; I280-L298 HydrophobicContact CG2-CB 3.8Å; I280-I305 HydrophobicContact CB-CD1 4.44Å; I280-I305 HydrophobicContact CD1-CD1 3.2Å; I280-I305 HydrophobicContact CD1-CG1 4.13Å; I280-I305 HydrophobicContact CG1-CD1 3.64Å; I280-C563 HydrophobicContact CD1-CB 3.96Å; I280-C563 VanDerWaalsContact CD1-SG 3.51Å
281	W	93.2	Very high	85.5	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	150.4	-180	67.7	-84.2	0	0	0	111.1	R236 G237 S276 V277 L279 Q283 I294 Q295 I296 D297 L339 V435	R236-W281 HydrophobicContact CB-CD2 4.48Å; R236-W281 HydrophobicContact CB-CE3 4.44Å; R236-W281 HydrophobicContact CB-CH2 4.22Å; R236-W281 HydrophobicContact CB-CZ2 4.2Å; R236-W281 HydrophobicContact CB-CZ3 4.35Å; R236-W281 HydrophobicContact CG-CH2 4.37Å; R236-W281 VanDerWaalsContact NH1-CH2 3.34Å; G237-W281 VanDerWaalsContact CA-CD1 3.49Å; G237-W281 VanDerWaalsContact CA-NE1 3.26Å; S276-W281 WeakPolarHBondContact OG-CZ2 3.39Å; V277-W281 PolarHBondContact O-NE1 3.12Å; L279-W281 VanDerWaalsContact O-CD1 3.25Å; L279-W281 PolarHBondContact O-N 3.25Å; W281-Q283 HydrophobicContact CE3-CG 4.38Å; W281-Q283 HydrophobicContact CZ3-CG 3.9Å; W281-I294 HydrophobicContact CE3-CG2 3.84Å; W281-I294 HydrophobicContact CZ3-CG1 4.37Å; W281-I294 HydrophobicContact CZ3-CG2 4.28Å; W281-Q295 CarbonylContact C-O 3.52Å; W281-Q295 WeakPolarHBondContact CA-O 3.49Å; W281-Q295 VanDerWaalsContact CB-O 3.23Å; W281-Q295 WeakPolarHBondContact CB-O 3.3Å; W281-I296 HydrophobicContact CB-CD1 3.91Å; W281-D297 VanDerWaalsContact CA-OD2 3.31Å; W281-D297 WeakPolarHBondContact CA-OD2 3.33Å; W281-L339 HydrophobicContact CB-CD2 3.97Å; W281-L339 HydrophobicContact CD2-CD1 3.91Å; W281-L339 HydrophobicContact CD2-CD2 3.55Å; W281-L339 HydrophobicContact CD2-CG 4.37Å; W281-L339 HydrophobicContact CE3-CD1 3.9Å; W281-L339 HydrophobicContact CE3-CD2 4.08Å; W281-L339 HydrophobicContact CG-CD2 3.49Å; W281-L339 VanDerWaalsContact CG-CD2 3.49Å; W281-L339 HydrophobicContact CH2-CD1 3.62Å; W281-L339 HydrophobicContact CZ2-CD1 3.67Å; W281-L339 HydrophobicContact CZ3-CD1 3.74Å; W281-V435 HydrophobicContact CH2-CG2 3.74Å; W281-V435 WeakPolarHBondContact CH2-O 3.45Å; W281-V435 HydrophobicContact CZ3-CG2 4.15Å
282	S	89.5	Confident	84.7	Confident	20 Å²	20	39.9 Å²	39.9	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	170.9	-176.8	75.2	0	0	0	0	112	Q295 D297	S282-Q295 PolarHBondContact N-O 2.95Å; S282-Q295 PolarHBondContact O-N 2.93Å; S282-D297 WeakPolarHBondContact CB-OD1 3.37Å; S282-D297 WeakPolarHBondContact CB-OD2 3.47Å; S282-D297 PolarHBondContact N-OD2 3.44Å; S282-D297 VanDerWaalsContact N-OD2 3.08Å; S282-D297 PolarHBondContact OG-OD1 2.89Å; S282-D297 PolarHBondContact OG-OD2 3.01Å
283	Q	87.2	Confident	84.2	Confident	13 Å²	13	43 Å²	43	6%	0.061	25%	0.254	C	S	.	.			trans	-133	106.3	167.6	-58.2	-154.3	-93	0	0	108.4	F233 W281 V285 P292 P293 I294	F233-Q283 HydrophobicContact CD1-CB 4.14Å; F233-Q283 HydrophobicContact CE1-CB 4.37Å; W281-Q283 HydrophobicContact CE3-CG 4.38Å; W281-Q283 HydrophobicContact CZ3-CG 3.9Å; Q283-V285 PolarHBondContact O-N 3.32Å; Q283-P292 HydrophobicContact CB-CB 3.98Å; Q283-P292 HydrophobicContact CB-CG 3.79Å; Q283-P292 PolarHBondContact NE2-O 3.02Å; Q283-P293 WeakPolarHBondContact CA-O 3.34Å; Q283-P293 WeakPolarHBondContact CB-O 3.41Å; Q283-P293 WeakPolarHBondContact CG-O 3.43Å; Q283-P293 PolarHBondContact NE2-O 3.02Å; Q283-P293 VanDerWaalsContact NE2-O 3.15Å; Q283-I294 HydrophobicContact CG-CG1 3.99Å
284	D	79.7	Confident	83.8	Confident	71 Å²	71	43.4 Å²	43.4	38%	0.38	26%	0.256	S	S	.	.			trans	-67.3	120.6	178.9	-176.8	16.4	0	0	0	111.2	S286 P292	D284-S286 WeakPolarHBondContact OD1-CB 3.45Å; D284-S286 PolarHBondContact OD1-N 3.45Å; D284-S286 PolarHBondContact OD1-OG 3.28Å; D284-S286 VanDerWaalsContact OD1-OG 3.08Å; D284-S286 PolarHBondContact OD2-OG 3.04Å; D284-P292 WeakPolarHBondContact O-CB 3.43Å
285	V	76.3	Confident	83.4	Confident	45 Å²	45	47.8 Å²	47.8	27%	0.273	28%	0.277	S	S	.	.			trans	-100.4	4.3	177.6	-69.4	0	0	0	0	113.2	F233 Q283 K287 P292	F233-V285 HydrophobicContact CB-CG1 3.81Å; F233-V285 HydrophobicContact CB-CG2 4.26Å; F233-V285 HydrophobicContact CD1-CG1 3.81Å; F233-V285 HydrophobicContact CD2-CG1 3.6Å; F233-V285 HydrophobicContact CE1-CG1 4.23Å; F233-V285 HydrophobicContact CE2-CG1 3.99Å; F233-V285 HydrophobicContact CG-CG1 3.48Å; F233-V285 VanDerWaalsContact CG-CG1 3.48Å; F233-V285 HydrophobicContact CZ-CG1 4.31Å; Q283-V285 PolarHBondContact O-N 3.32Å; V285-K287 CarbonylContact O-C 3.58Å; V285-K287 PolarHBondContact O-N 2.91Å; V285-K287 VanDerWaalsContact O-N 3.15Å; V285-P292 HydrophobicContact CG1-CB 4.36Å; V285-P292 HydrophobicContact CG1-CG 4Å
286	S	70.3	Confident	83.1	Confident	86 Å²	86	50.3 Å²	50.3	60%	0.601	29%	0.289	S	S	*	.	S	Bend	trans	-54.4	-34.5	178.2	69	0	0	0	0	112.6	D284	D284-S286 WeakPolarHBondContact OD1-CB 3.45Å; D284-S286 PolarHBondContact OD1-N 3.45Å; D284-S286 PolarHBondContact OD1-OG 3.28Å; D284-S286 VanDerWaalsContact OD1-OG 3.08Å; D284-S286 PolarHBondContact OD2-OG 3.04Å
287	K	67	Low	82.6	Confident	151 Å²	151	54 Å²	54	66%	0.657	31%	0.308	S	S	*	.	S	Bend	trans	-89.1	128.3	172.7	-62.2	177.6	-175.5	174.7	0	108.1	V285 V289	V285-K287 CarbonylContact O-C 3.58Å; V285-K287 PolarHBondContact O-N 2.91Å; V285-K287 VanDerWaalsContact O-N 3.15Å; K287-V289 HydrophobicContact CB-CG1 4.1Å; K287-V289 WeakPolarHBondContact O-CG2 3.37Å; K287-V289 PolarHBondContact O-N 2.99Å
288	V	65	Low	82	Confident	107 Å²	107	58.1 Å²	58.1	65%	0.648	33%	0.33	S	S	*	.			trans	-67.4	77.9	173.1	-176.5	0	0	0	0	109.8	Y525	V288-Y525 HydrophobicContact CG1-CE2 4.2Å; V288-Y525 WeakPolarHBondContact CG1-OH 3.38Å
289	V	62.5	Low	81.3	Confident	64 Å²	64	61.7 Å²	61.7	39%	0.388	36%	0.36	S	S	.	.			trans	-116.4	135.2	177.6	-67.4	0	0	0	0	109.1	K287 K291 P292	K287-V289 HydrophobicContact CB-CG1 4.1Å; K287-V289 WeakPolarHBondContact O-CG2 3.37Å; K287-V289 PolarHBondContact O-N 2.99Å; V289-K291 PolarHBondContact O-N 3.22Å; V289-K291 VanDerWaalsContact O-N 3.1Å; V289-P292 HydrophobicContact CG2-CB 4.12Å
290	G	68.7	Low	80.8	Confident	81 Å²	81	62.5 Å²	62.5	84%	0.835	36%	0.364	S	S	*	.	S	Bend	trans	-61.8	-21.5	-177.8	0	0	0	0	0	114.2
291	K	77.4	Confident	80.4	Confident	149 Å²	149	63.9 Å²	63.9	65%	0.648	37%	0.374	S	S	*	.	S	Bend	trans	-143.7	100.2	172.9	-66.6	-179	-176.4	173	0	109.2	V289	V289-K291 PolarHBondContact O-N 3.22Å; V289-K291 VanDerWaalsContact O-N 3.1Å
292	P	82.5	Confident	80.1	Confident	7 Å²	7	67.9 Å²	67.9	5%	0.045	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-59.8	151.8	177.8	26.2	-35.3	0	0	0	111.2	F233 Q283 D284 V285 V289	F233-P292 HydrophobicContact CD1-CG 4.31Å; F233-P292 HydrophobicContact CE1-CG 3.66Å; F233-P292 HydrophobicContact CZ-CG 4.03Å; Q283-P292 HydrophobicContact CB-CB 3.98Å; Q283-P292 HydrophobicContact CB-CG 3.79Å; Q283-P292 PolarHBondContact NE2-O 3.02Å; D284-P292 WeakPolarHBondContact O-CB 3.43Å; V285-P292 HydrophobicContact CG1-CB 4.36Å; V285-P292 HydrophobicContact CG1-CG 4Å; V289-P292 HydrophobicContact CG2-CB 4.12Å
293	P	86.6	Confident	80.1	Confident	65 Å²	65	67 Å²	67	42%	0.422	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-66.1	161.1	173.3	29.2	-33.4	0	0	0	110.6	Q283	Q283-P293 WeakPolarHBondContact CA-O 3.34Å; Q283-P293 WeakPolarHBondContact CB-O 3.41Å; Q283-P293 WeakPolarHBondContact CG-O 3.43Å; Q283-P293 PolarHBondContact NE2-O 3.02Å; Q283-P293 VanDerWaalsContact NE2-O 3.15Å
294	I	90.5	Very high	80.2	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.062	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-100.6	132	172.5	-65.6	173.2	0	0	0	107.1	W281 Q283 E336 L339 V435	W281-I294 HydrophobicContact CE3-CG2 3.84Å; W281-I294 HydrophobicContact CZ3-CG1 4.37Å; W281-I294 HydrophobicContact CZ3-CG2 4.28Å; Q283-I294 HydrophobicContact CG-CG1 3.99Å; I294-E336 HydrophobicContact CD1-CG 4.14Å; I294-L339 HydrophobicContact CD1-CD1 3.93Å; I294-L339 HydrophobicContact CD1-CG 4.46Å; I294-L339 HydrophobicContact CG2-CD1 4.08Å; I294-L339 HydrophobicContact CG2-CD2 3.95Å; I294-L339 HydrophobicContact CG2-CG 3.86Å; I294-V435 HydrophobicContact CD1-CG2 3.74Å
295	Q	88.2	Confident	80.7	Confident	98 Å²	98	64.1 Å²	64.1	46%	0.458	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.2	178.3	-66.9	177.7	-25.9	0	0	109	W281 S282	W281-Q295 CarbonylContact C-O 3.52Å; W281-Q295 WeakPolarHBondContact CA-O 3.49Å; W281-Q295 VanDerWaalsContact CB-O 3.23Å; W281-Q295 WeakPolarHBondContact CB-O 3.3Å; S282-Q295 PolarHBondContact N-O 2.95Å; S282-Q295 PolarHBondContact O-N 2.93Å
296	I	89	Confident	81.5	Confident	55 Å²	55	62 Å²	62	28%	0.282	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112	169	-56.5	-58.7	0	0	0	105.9	W281 L298 I338 L339 E342	W281-I296 HydrophobicContact CB-CD1 3.91Å; I296-L298 WeakPolarHBondContact CG2-O 3.48Å; I296-I338 HydrophobicContact CD1-CG2 4.2Å; I296-I338 HydrophobicContact CG1-CG2 3.93Å; I296-L339 HydrophobicContact CD1-CD2 3.82Å; I296-E342 HydrophobicContact CD1-CG 4.3Å; I296-E342 HydrophobicContact CG1-CG 4.35Å
297	D	84.7	Confident	82.5	Confident	80 Å²	80	58.2 Å²	58.2	43%	0.428	33%	0.333	S	S	.	.	S	Bend	trans	-83	-26.9	-172.1	-38.2	-55.6	0	0	0	111.6	I280 W281 S282	I280-D297 HydrophobicContact CG2-CB 3.88Å; I280-D297 PolarHBondContact O-N 2.86Å; I280-D297 VanDerWaalsContact O-N 3.09Å; W281-D297 VanDerWaalsContact CA-OD2 3.31Å; W281-D297 WeakPolarHBondContact CA-OD2 3.33Å; S282-D297 WeakPolarHBondContact CB-OD1 3.37Å; S282-D297 WeakPolarHBondContact CB-OD2 3.47Å; S282-D297 PolarHBondContact N-OD2 3.44Å; S282-D297 VanDerWaalsContact N-OD2 3.08Å; S282-D297 PolarHBondContact OG-OD1 2.89Å; S282-D297 PolarHBondContact OG-OD2 3.01Å
298	L	83.4	Confident	83.7	Confident	88 Å²	88	51.6 Å²	51.6	46%	0.461	31%	0.306	S	S	.	.	S	Bend	trans	-133.4	123.6	173.9	-173.9	71.1	0	0	0	110.1	I280 I296 D300 I305	I280-L298 HydrophobicContact CB-CB 3.97Å; I280-L298 HydrophobicContact CD1-CB 3.99Å; I280-L298 HydrophobicContact CD1-CD2 3.57Å; I280-L298 HydrophobicContact CD1-CG 4.41Å; I280-L298 HydrophobicContact CG2-CB 3.8Å; I296-L298 WeakPolarHBondContact CG2-O 3.48Å; L298-D300 PolarHBondContact O-N 3.41Å; L298-I305 HydrophobicContact CD2-CD1 4.37Å
299	A	80.7	Confident	85.1	Confident	75 Å²	75	46.8 Å²	46.8	62%	0.62	28%	0.276	S	S	*	.			trans	-73.6	122.2	168.2	0	0	0	0	0	109.6	P301	A299-P301 VanDerWaalsContact O-CD 3.25Å; A299-P301 WeakPolarHBondContact O-CD 3.44Å
300	D	83.4	Confident	86.7	Confident	31 Å²	31	43.8 Å²	43.8	17%	0.166	26%	0.258	C	S	.	.			trans	-115.3	80.1	-177.8	-177.2	10.1	0	0	0	109.9	L298 F302 A303 C304 I305	L298-D300 PolarHBondContact O-N 3.41Å; D300-F302 PolarHBondContact O-N 3.45Å; D300-A303 PolarHBondContact O-N 3.22Å; D300-A303 PolarHBondContact OD1-N 2.99Å; D300-A303 VanDerWaalsContact OD1-N 3.15Å; D300-A303 VanDerWaalsContact OD2-CA 3.3Å; D300-A303 WeakPolarHBondContact OD2-CA 3.31Å; D300-C304 PolarHBondContact OD1-N 3.13Å; D300-C304 PolarHBondContact OD2-N 3.42Å; D300-I305 HydrophobicContact CB-CD1 4.15Å; D300-I305 WeakPolarHBondContact OD2-CD1 3.3Å; D300-I305 PolarHBondContact OD2-N 3Å
301	P	83.3	Confident	87.8	Confident	40 Å²	40	41.6 Å²	41.6	26%	0.26	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.7	-172.1	25.6	-34.7	0	0	0	113.4	A299 V802 Q804	A299-P301 VanDerWaalsContact O-CD 3.25Å; A299-P301 WeakPolarHBondContact O-CD 3.44Å; P301-V802 HydrophobicContact CB-CG1 4.18Å; P301-Q804 WeakPolarHBondContact O-CG 3.45Å
302	F	85.8	Confident	88.5	Confident	88 Å²	88	37.1 Å²	37.1	39%	0.386	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.8	176.9	-56.3	-64.4	0	0	0	112.6	D300 C304 Y349 P805	D300-F302 PolarHBondContact O-N 3.45Å; F302-C304 PolarHBondContact O-N 3.33Å; F302-C304 VanDerWaalsContact O-N 3.07Å; F302-Y349 HydrophobicContact CB-CE1 4.43Å; F302-Y349 WeakPolarHBondContact CD1-OH 3.25Å; F302-Y349 WeakPolarHBondContact O-CE1 3.48Å; F302-P805 HydrophobicContact CD1-CG 4.41Å; F302-P805 HydrophobicContact CE1-CG 3.93Å
303	A	90.1	Very high	89.1	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	21%	0.205	C	C	.	.			trans	51.4	30.1	-178.8	0	0	0	0	0	113.8	D300 I305 A306 A307 A346 Y349 L350	D300-A303 PolarHBondContact O-N 3.22Å; D300-A303 PolarHBondContact OD1-N 2.99Å; D300-A303 VanDerWaalsContact OD1-N 3.15Å; D300-A303 VanDerWaalsContact OD2-CA 3.3Å; D300-A303 WeakPolarHBondContact OD2-CA 3.31Å; A303-I305 VanDerWaalsContact C-N 3.26Å; A303-I305 PolarHBondContact O-N 3.23Å; A303-A306 HydrophobicContact CB-CB 4.41Å; A303-A306 CarbonylContact O-C 3.29Å; A303-A306 PolarHBondContact O-N 2.88Å; A303-A306 VanDerWaalsContact O-N 3.15Å; A303-A307 WeakPolarHBondContact O-CB 3.37Å; A303-A307 PolarHBondContact O-N 2.76Å; A303-A346 HydrophobicContact CB-CB 3.8Å; A303-Y349 HydrophobicContact CB-CD1 4.01Å; A303-L350 HydrophobicContact CB-CD1 4.26Å; A303-L350 HydrophobicContact CB-CD2 4.14Å; A303-L350 HydrophobicContact CB-CG 4Å
304	C	89	Confident	89.5	Confident	23 Å²	23	35 Å²	35	16%	0.155	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-36.2	-173.4	-64.3	0	0	0	0	113.5	D300 F302 A307 S308 F572	D300-C304 PolarHBondContact OD1-N 3.13Å; D300-C304 PolarHBondContact OD2-N 3.42Å; F302-C304 PolarHBondContact O-N 3.33Å; F302-C304 VanDerWaalsContact O-N 3.07Å; C304-A307 WeakPolarHBondContact O-CB 3.44Å; C304-A307 PolarHBondContact O-N 2.68Å; C304-S308 PolarHBondContact O-N 3.37Å; C304-F572 HydrophobicContact CB-CD1 3.5Å; C304-F572 VanDerWaalsContact CB-CD1 3.5Å; C304-F572 HydrophobicContact CB-CD2 4.45Å; C304-F572 HydrophobicContact CB-CE1 3.32Å; C304-F572 HydrophobicContact CB-CE2 4.3Å; C304-F572 HydrophobicContact CB-CG 4.08Å; C304-F572 HydrophobicContact CB-CZ 3.74Å
305	I	89.9	Confident	89.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-45.3	179.9	-64.8	142.6	0	0	0	110.4	A238 I280 L298 D300 A303 A307 S308 H309 F572	A238-I305 HydrophobicContact CB-CG2 3.74Å; I280-I305 HydrophobicContact CB-CD1 4.44Å; I280-I305 HydrophobicContact CD1-CD1 3.2Å; I280-I305 HydrophobicContact CD1-CG1 4.13Å; I280-I305 HydrophobicContact CG1-CD1 3.64Å; L298-I305 HydrophobicContact CD2-CD1 4.37Å; D300-I305 HydrophobicContact CB-CD1 4.15Å; D300-I305 WeakPolarHBondContact OD2-CD1 3.3Å; D300-I305 PolarHBondContact OD2-N 3Å; A303-I305 VanDerWaalsContact C-N 3.26Å; A303-I305 PolarHBondContact O-N 3.23Å; I305-A307 VanDerWaalsContact C-N 3.26Å; I305-A307 PolarHBondContact O-N 2.9Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-H309 WeakPolarHBondContact O-CB 3.46Å; I305-H309 PolarHBondContact O-N 3.47Å; I305-F572 HydrophobicContact CG1-CE1 4.42Å; I305-F572 HydrophobicContact CG1-CZ 4.21Å
306	A	93.4	Very high	89.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-36.6	173.4	0	0	0	0	0	110.7	P278 A303 H309 F310 A346 L350	P278-A306 HydrophobicContact CG-CB 4.4Å; A303-A306 HydrophobicContact CB-CB 4.41Å; A303-A306 CarbonylContact O-C 3.29Å; A303-A306 PolarHBondContact O-N 2.88Å; A303-A306 VanDerWaalsContact O-N 3.15Å; A306-H309 WeakPolarHBondContact O-CB 3.46Å; A306-H309 PolarHBondContact O-N 2.88Å; A306-F310 HydrophobicContact CB-CD2 4.44Å; A306-F310 HydrophobicContact CB-CE2 4.32Å; A306-F310 WeakPolarHBondContact O-CD2 3.33Å; A306-F310 PolarHBondContact O-N 3.21Å; A306-A346 HydrophobicContact CB-CB 4.17Å; A306-L350 HydrophobicContact CB-CD1 3.97Å
307	A	92.5	Very high	89.9	Confident	7 Å²	7	32.6 Å²	32.6	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-49.5	176.3	0	0	0	0	0	111.2	A303 C304 I305 H309 F310 R311 L350 W579	A303-A307 WeakPolarHBondContact O-CB 3.37Å; A303-A307 PolarHBondContact O-N 2.76Å; C304-A307 WeakPolarHBondContact O-CB 3.44Å; C304-A307 PolarHBondContact O-N 2.68Å; I305-A307 VanDerWaalsContact C-N 3.26Å; I305-A307 PolarHBondContact O-N 2.9Å; A307-H309 VanDerWaalsContact C-N 3.29Å; A307-H309 PolarHBondContact O-N 3.02Å; A307-F310 PolarHBondContact O-N 3.04Å; A307-R311 VanDerWaalsContact O-CB 3.25Å; A307-R311 WeakPolarHBondContact O-CB 3.43Å; A307-R311 PolarHBondContact O-N 3.17Å; A307-L350 HydrophobicContact CB-CD1 4.16Å; A307-L350 HydrophobicContact CB-CD2 3.51Å; A307-W579 HydrophobicContact CB-CB 3.74Å; A307-W579 HydrophobicContact CB-CD2 4.21Å; A307-W579 HydrophobicContact CB-CE3 4.28Å; A307-W579 HydrophobicContact CB-CG 4.01Å
308	S	91.3	Very high	90.3	Very high	12 Å²	12	34 Å²	34	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-40.2	175.9	-167.7	0	0	0	0	111.9	D241 C304 I305 R311 N312	D241-S308 WeakPolarHBondContact O-CB 3.5Å; D241-S308 PolarHBondContact O-OG 2.63Å; C304-S308 PolarHBondContact O-N 3.37Å; I305-S308 PolarHBondContact O-N 3.13Å; S308-R311 PolarHBondContact OG-NH2 3.47Å; S308-N312 WeakPolarHBondContact O-CB 3.42Å; S308-N312 PolarHBondContact O-N 3.08Å
309	H	95.1	Very high	90.7	Very high	6 Å²	6	32 Å²	32	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-53.2	174.8	179.4	72.6	0	0	0	112	G242 P278 I305 A306 A307 N312 L313 R431	G242-H309 WeakPolarHBondContact O-CA 3.48Å; G242-H309 VanDerWaalsContact O-CB 3.23Å; G242-H309 WeakPolarHBondContact O-CB 3.38Å; G242-H309 PolarHBondContact O-ND1 3.3Å; P278-H309 HydrophobicContact CB-CB 3.95Å; I305-H309 WeakPolarHBondContact O-CB 3.46Å; I305-H309 PolarHBondContact O-N 3.47Å; A306-H309 WeakPolarHBondContact O-CB 3.46Å; A306-H309 PolarHBondContact O-N 2.88Å; A307-H309 VanDerWaalsContact C-N 3.29Å; A307-H309 PolarHBondContact O-N 3.02Å; H309-N312 PolarHBondContact O-N 3.27Å; H309-L313 WeakPolarHBondContact NE2-CD1 3.27Å; H309-L313 WeakPolarHBondContact O-CG 3.3Å; H309-L313 PolarHBondContact O-N 3.38Å; H309-L313 VanDerWaalsContact O-N 3.08Å; H309-R431 PolarHBondContact CD2-NH1 2.89Å; H309-R431 VanDerWaalsContact NE2-CZ 3.27Å; H309-R431 PolarHBondContact NE2-NH1 3.48Å; H309-R431 VanDerWaalsContact NE2-NH1 3.16Å; H309-R431 PolarHBondContact NE2-NH2 3.45Å
310	F	95.7	Very high	91.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-35.5	-178.1	-71.2	-59.9	0	0	0	112.7	A306 A307 N312 L313 L314 I321 V323 F343 V347 L350 V360 W579	A306-F310 HydrophobicContact CB-CD2 4.44Å; A306-F310 HydrophobicContact CB-CE2 4.32Å; A306-F310 WeakPolarHBondContact O-CD2 3.33Å; A306-F310 PolarHBondContact O-N 3.21Å; A307-F310 PolarHBondContact O-N 3.04Å; F310-N312 VanDerWaalsContact C-N 3.32Å; F310-N312 PolarHBondContact O-N 3.19Å; F310-L313 HydrophobicContact CD1-CD1 4.16Å; F310-L313 PolarHBondContact O-N 2.94Å; F310-L314 WeakPolarHBondContact O-CB 3.42Å; F310-L314 WeakPolarHBondContact O-CG 3.44Å; F310-L314 PolarHBondContact O-N 3.13Å; F310-I321 HydrophobicContact CD1-CD1 4.11Å; F310-I321 HydrophobicContact CD1-CG2 4.19Å; F310-I321 HydrophobicContact CE1-CG2 4.19Å; F310-V323 HydrophobicContact CE1-CG2 3.59Å; F310-V323 HydrophobicContact CZ-CG2 3.81Å; F310-F343 HydrophobicContact CE2-CE2 4.01Å; F310-F343 AromaticContact CZ-CE2 3.72Å; F310-F343 HydrophobicContact CZ-CE2 3.72Å; F310-F343 AromaticContact CZ-CZ 3.91Å; F310-F343 HydrophobicContact CZ-CZ 3.91Å; F310-V347 HydrophobicContact CE2-CG2 3.66Å; F310-V347 HydrophobicContact CZ-CG2 3.76Å; F310-L350 HydrophobicContact CD2-CD1 3.87Å; F310-L350 HydrophobicContact CE2-CD1 4.37Å; F310-V360 HydrophobicContact CB-CG2 4.33Å; F310-V360 HydrophobicContact CD1-CG1 4.16Å; F310-V360 HydrophobicContact CD1-CG2 3.91Å; F310-V360 HydrophobicContact CD2-CG2 4.43Å; F310-V360 HydrophobicContact CE1-CG1 3.72Å; F310-V360 HydrophobicContact CE1-CG2 4.3Å; F310-V360 HydrophobicContact CG-CG2 3.99Å; F310-V360 HydrophobicContact CZ-CG1 4Å; F310-W579 HydrophobicContact CB-CE3 4.45Å; F310-W579 HydrophobicContact CB-CH2 3.92Å; F310-W579 HydrophobicContact CB-CZ3 3.5Å
311	R	92.5	Very high	91.9	Very high	36 Å²	36	27.2 Å²	27.2	14%	0.136	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-47.5	169.8	180	-176	51.9	-177.8	-1.7	111.3	A307 S308 L313 L314 G315 W579 E581	A307-R311 VanDerWaalsContact O-CB 3.25Å; A307-R311 WeakPolarHBondContact O-CB 3.43Å; A307-R311 PolarHBondContact O-N 3.17Å; S308-R311 PolarHBondContact OG-NH2 3.47Å; R311-L313 VanDerWaalsContact C-N 3.29Å; R311-L313 PolarHBondContact O-N 3.36Å; R311-L314 PolarHBondContact O-N 3.08Å; R311-G315 PolarHBondContact O-N 3.31Å; R311-W579 HydrophobicContact CB-CE3 4.47Å; R311-W579 VanDerWaalsContact CB-O 3.31Å; R311-W579 WeakPolarHBondContact CB-O 3.25Å; R311-W579 VanDerWaalsContact CD-O 3.27Å; R311-W579 WeakPolarHBondContact CD-O 3.25Å; R311-W579 WeakPolarHBondContact CG-O 3.47Å; R311-E581 WeakPolarHBondContact CD-O 3.18Å
312	N	92.1	Very high	92.6	Very high	54 Å²	54	25.3 Å²	25.3	29%	0.289	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-36.5	178	-173.7	-89.6	0	0	0	112.3	R175 S308 H309 F310 R316	R175-N312 PolarHBondContact NH2-ND2 3.29Å; R175-N312 PolarHBondContact NH2-OD1 3.12Å; S308-N312 WeakPolarHBondContact O-CB 3.42Å; S308-N312 PolarHBondContact O-N 3.08Å; H309-N312 PolarHBondContact O-N 3.27Å; F310-N312 VanDerWaalsContact C-N 3.32Å; F310-N312 PolarHBondContact O-N 3.19Å; N312-R316 WeakPolarHBondContact O-CG 3.44Å; N312-R316 PolarHBondContact O-N 2.92Å; N312-R316 PolarHBondContact O-NE 2.84Å; N312-R316 PolarHBondContact OD1-NE 3.11Å; N312-R316 PolarHBondContact OD1-NH2 3.19Å
313	L	95.2	Very high	93.2	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-69.7	-44.1	175	-68.8	-175	0	0	0	112.6	L273 H309 F310 R311 G315 R316 Y317 I321 R431	L273-L313 HydrophobicContact CD1-CD1 4.5Å; L273-L313 HydrophobicContact CD1-CD2 3.35Å; H309-L313 WeakPolarHBondContact NE2-CD1 3.27Å; H309-L313 WeakPolarHBondContact O-CG 3.3Å; H309-L313 PolarHBondContact O-N 3.38Å; H309-L313 VanDerWaalsContact O-N 3.08Å; F310-L313 HydrophobicContact CD1-CD1 4.16Å; F310-L313 PolarHBondContact O-N 2.94Å; R311-L313 VanDerWaalsContact C-N 3.29Å; R311-L313 PolarHBondContact O-N 3.36Å; L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 3.47Å; L313-R316 PolarHBondContact O-N 3.29Å; L313-R316 VanDerWaalsContact O-N 3.11Å; L313-Y317 HydrophobicContact CD2-CD2 4.16Å; L313-Y317 HydrophobicContact CD2-CE2 3.96Å; L313-Y317 PolarHBondContact O-N 3.3Å; L313-I321 HydrophobicContact CB-CD1 3.41Å; L313-I321 VanDerWaalsContact CB-CD1 3.41Å; L313-I321 HydrophobicContact CB-CG1 4.17Å; L313-I321 HydrophobicContact CD1-CD1 4.33Å; L313-I321 HydrophobicContact CD1-CG2 4.11Å; L313-R431 HydrophobicContact CD1-CG 4.43Å
314	L	93.5	Very high	93.5	Very high	28 Å²	28	21.4 Å²	21.4	15%	0.147	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-40	176.8	-74.6	173.6	0	0	0	110.6	F310 R311 R316 E318 H319 I321 W579 F580	F310-L314 WeakPolarHBondContact O-CB 3.42Å; F310-L314 WeakPolarHBondContact O-CG 3.44Å; F310-L314 PolarHBondContact O-N 3.13Å; R311-L314 PolarHBondContact O-N 3.08Å; L314-R316 VanDerWaalsContact C-N 3.29Å; L314-R316 PolarHBondContact O-N 3.35Å; L314-E318 VanDerWaalsContact O-CA 3.25Å; L314-E318 WeakPolarHBondContact O-CA 3.25Å; L314-E318 PolarHBondContact O-N 2.98Å; L314-H319 HydrophobicContact CD2-CB 4.08Å; L314-I321 HydrophobicContact CB-CD1 4.43Å; L314-I321 HydrophobicContact CD2-CD1 3.67Å; L314-I321 HydrophobicContact CD2-CG1 4.07Å; L314-I321 HydrophobicContact CG-CD1 3.61Å; L314-W579 HydrophobicContact CD1-CH2 4.19Å; L314-W579 HydrophobicContact CD1-CZ3 3.95Å; L314-F580 HydrophobicContact CD1-CB 4Å
315	G	90.8	Very high	93.9	Very high	43 Å²	43	20.3 Å²	20.3	44%	0.443	11%	0.107	S	C	.	.	H	α-helix	trans	-65.6	-27.2	176.6	0	0	0	0	0	114.4	R311 L313	R311-G315 PolarHBondContact O-N 3.31Å; L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 3.47Å
316	R	92.1	Very high	94.2	Very high	47 Å²	47	20.2 Å²	20.2	18%	0.177	11%	0.107	C	C	.	.	H	α-helix	trans	-95.6	-41.4	-176.4	-78	-170.5	-73.8	159.4	-14.5	114.3	H173 E247 N312 L313 L314	H173-R316 WeakPolarHBondContact NE2-CD 3.35Å; E247-R316 IonicContact OE1-CZ 3.91Å; E247-R316 VanDerWaalsContact OE1-CZ 3.3Å; E247-R316 IonicContact OE1-NH1 3.94Å; E247-R316 PolarHBondContact OE1-NH1 3.46Å; E247-R316 IonicContact OE1-NH2 2.76Å; E247-R316 PolarHBondContact OE1-NH2 3.12Å; E247-R316 IonicContact OE2-NH2 3.28Å; N312-R316 WeakPolarHBondContact O-CG 3.44Å; N312-R316 PolarHBondContact O-N 2.92Å; N312-R316 PolarHBondContact O-NE 2.84Å; N312-R316 PolarHBondContact OD1-NE 3.11Å; N312-R316 PolarHBondContact OD1-NH2 3.19Å; L313-R316 PolarHBondContact O-N 3.29Å; L313-R316 VanDerWaalsContact O-N 3.11Å; L314-R316 VanDerWaalsContact C-N 3.29Å; L314-R316 PolarHBondContact O-N 3.35Å
317	Y	94.4	Very high	94.2	Very high	23 Å²	23	20.2 Å²	20.2	9%	0.09	11%	0.107	C	C	.	.	H	α-helix	trans	-119.6	-1.9	-170.6	-52	-79.5	0	0	0	113	E249 V271 L273 L313 G428 V429	E249-Y317 VanDerWaalsContact OE2-CE1 3.26Å; E249-Y317 WeakPolarHBondContact OE2-CE1 3.27Å; E249-Y317 VanDerWaalsContact OE2-CZ 3.25Å; E249-Y317 PolarHBondContact OE2-OH 3.06Å; V271-Y317 HydrophobicContact CG1-CD1 4.5Å; V271-Y317 HydrophobicContact CG1-CE1 4.03Å; L273-Y317 HydrophobicContact CD1-CD2 4.04Å; L273-Y317 HydrophobicContact CD1-CE2 3.57Å; L273-Y317 HydrophobicContact CD2-CE2 4.3Å; L273-Y317 HydrophobicContact CG-CE2 4.32Å; L313-Y317 HydrophobicContact CD2-CD2 4.16Å; L313-Y317 HydrophobicContact CD2-CE2 3.96Å; L313-Y317 PolarHBondContact O-N 3.3Å; Y317-G428 WeakPolarHBondContact O-CA 3.29Å; Y317-G428 PolarHBondContact O-N 2.84Å; Y317-V429 HydrophobicContact CD1-CB 4.15Å; Y317-V429 HydrophobicContact CD1-CG1 4.44Å; Y317-V429 HydrophobicContact CD1-CG2 4.31Å; Y317-V429 HydrophobicContact CD2-CB 4.23Å; Y317-V429 HydrophobicContact CD2-CG1 3.63Å; Y317-V429 HydrophobicContact CE2-CG1 4.41Å; Y317-V429 HydrophobicContact CG-CB 3.78Å; Y317-V429 HydrophobicContact CG-CG1 3.66Å; Y317-V429 HydrophobicContact CG-CG2 4.33Å
318	E	92.2	Very high	94	Very high	111 Å²	111	22.1 Å²	22.1	52%	0.519	11%	0.114	S	C	.	.			trans	64.6	-155.5	-173.2	-47.9	179.3	163.4	0	0	112	L314	L314-E318 VanDerWaalsContact O-CA 3.25Å; L314-E318 WeakPolarHBondContact O-CA 3.25Å; L314-E318 PolarHBondContact O-N 2.98Å
319	H	92	Very high	93.8	Very high	46 Å²	46	24.1 Å²	24.1	21%	0.213	12%	0.12	C	C	.	.	S	Bend	trans	-117.3	156.7	-177.4	60.3	78.8	0	0	0	111.2	L314 R427 G428	L314-H319 HydrophobicContact CD2-CB 4.08Å; H319-R427 CarbonylContact O-C 3.58Å; H319-G428 PolarHBondContact O-N 2.88Å
320	P	93.5	Very high	93.1	Very high	3 Å²	3	31 Å²	31	2%	0.019	15%	0.145	C	C	.	.			cis	-83.4	144.3	-4	32.4	-33.3	0	0	0	112.9	R361 L390 N391 G428 V429	P320-R361 HydrophobicContact CB-CG 3.9Å; P320-L390 HydrophobicContact CG-CB 4.04Å; P320-N391 PolarHBondContact O-ND2 3.48Å; P320-G428 WeakPolarHBondContact O-CA 3.27Å; P320-V429 PolarHBondContact O-N 3.18Å
321	I	96.6	Very high	92.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.2	165.9	-61.6	165.5	0	0	0	107.8	F310 L313 L314 V323 V360 R361 R431	F310-I321 HydrophobicContact CD1-CD1 4.11Å; F310-I321 HydrophobicContact CD1-CG2 4.19Å; F310-I321 HydrophobicContact CE1-CG2 4.19Å; L313-I321 HydrophobicContact CB-CD1 3.41Å; L313-I321 VanDerWaalsContact CB-CD1 3.41Å; L313-I321 HydrophobicContact CB-CG1 4.17Å; L313-I321 HydrophobicContact CD1-CD1 4.33Å; L313-I321 HydrophobicContact CD1-CG2 4.11Å; L314-I321 HydrophobicContact CB-CD1 4.43Å; L314-I321 HydrophobicContact CD2-CD1 3.67Å; L314-I321 HydrophobicContact CD2-CG1 4.07Å; L314-I321 HydrophobicContact CG-CD1 3.61Å; I321-V323 HydrophobicContact CG2-CG2 4.34Å; I321-V360 HydrophobicContact CB-CG1 4.44Å; I321-V360 HydrophobicContact CG2-CG1 4.39Å; I321-R361 PolarHBondContact O-N 3.32Å; I321-R431 HydrophobicContact CG2-CB 4.49Å
322	V	96.8	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.9	-179.7	-177.6	0	0	0	0	109.9	I324 R361 V387 L390 N391 V429 P430 R431 W706	V322-I324 HydrophobicContact CG1-CG1 4.42Å; V322-R361 CarbonylContact C-O 3.48Å; V322-R361 WeakPolarHBondContact CA-O 3.46Å; V322-R361 HydrophobicContact CG2-CB 4.2Å; V322-V387 HydrophobicContact CG1-CG2 3.94Å; V322-L390 HydrophobicContact CG2-CB 4.19Å; V322-L390 HydrophobicContact CG2-CD1 3.93Å; V322-N391 WeakPolarHBondContact CG2-OD1 3.21Å; V322-V429 PolarHBondContact N-O 2.79Å; V322-P430 CarbonylContact O-C 3.34Å; V322-P430 WeakPolarHBondContact O-CA 3.49Å; V322-R431 PolarHBondContact O-N 3.47Å; V322-W706 HydrophobicContact CG1-CH2 3.6Å; V322-W706 HydrophobicContact CG1-CZ3 3.93Å
323	V	97.9	Very high	91.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.3	178.8	177.8	0	0	0	0	110.2	F310 I321 F343 V360 R361 Y362 L363 R431	F310-V323 HydrophobicContact CE1-CG2 3.59Å; F310-V323 HydrophobicContact CZ-CG2 3.81Å; I321-V323 HydrophobicContact CG2-CG2 4.34Å; V323-F343 HydrophobicContact CG1-CE1 3.48Å; V323-F343 VanDerWaalsContact CG1-CE1 3.48Å; V323-F343 HydrophobicContact CG1-CZ 3.57Å; V323-F343 HydrophobicContact CG2-CZ 4.38Å; V323-V360 HydrophobicContact CG2-CG1 3.52Å; V323-R361 PolarHBondContact N-O 2.86Å; V323-Y362 HydrophobicContact CB-CD2 3.9Å; V323-Y362 HydrophobicContact CG1-CD2 3.64Å; V323-Y362 HydrophobicContact CG1-CE2 3.86Å; V323-L363 PolarHBondContact O-N 2.79Å; V323-R431 WeakPolarHBondContact CA-O 3.26Å
324	I	97.5	Very high	90.9	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	92.6	176.3	-58.3	165.5	0	0	0	107.9	V322 L326 L363 I383 V387 P430 R431 T432 N433	V322-I324 HydrophobicContact CG1-CG1 4.42Å; I324-L326 HydrophobicContact CG2-CD2 3.8Å; I324-L326 HydrophobicContact CG2-CG 4.16Å; I324-L326 PolarHBondContact O-N 2.97Å; I324-L363 HydrophobicContact CB-CD1 4.34Å; I324-L363 HydrophobicContact CG1-CD1 4.46Å; I324-L363 HydrophobicContact CG1-CD2 4.11Å; I324-L363 HydrophobicContact CG1-CG 4.3Å; I324-L363 HydrophobicContact CG2-CD1 4Å; I324-I383 HydrophobicContact CD1-CG2 4.25Å; I324-I383 HydrophobicContact CG1-CG2 4.36Å; I324-V387 HydrophobicContact CD1-CG2 3.77Å; I324-V387 HydrophobicContact CG1-CG2 4.39Å; I324-P430 HydrophobicContact CD1-CB 4.04Å; I324-R431 PolarHBondContact N-O 3.25Å; I324-T432 HydrophobicContact CB-CG2 3.9Å; I324-T432 HydrophobicContact CD1-CG2 3.7Å; I324-T432 HydrophobicContact CG1-CG2 4.36Å; I324-T432 HydrophobicContact CG2-CG2 4.16Å; I324-N433 PolarHBondContact O-N 3.43Å; I324-N433 PolarHBondContact O-OD1 3.5Å
325	N	96.9	Very high	90.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.4	-178.4	-175	19.2	0	0	0	111.8	V327 H340 Y362 L363 S364 F365 N433	N325-V327 VanDerWaalsContact OD1-CB 3.26Å; N325-V327 WeakPolarHBondContact OD1-CB 3.19Å; N325-V327 WeakPolarHBondContact OD1-CG2 3.43Å; N325-V327 PolarHBondContact OD1-N 3.25Å; N325-H340 PolarHBondContact ND2-ND1 2.91Å; N325-H340 VanDerWaalsContact ND2-ND1 3.16Å; N325-Y362 HydrophobicContact CB-CE1 4.43Å; N325-Y362 HydrophobicContact CB-CE2 4.32Å; N325-Y362 PolarHBondContact ND2-OH 2.98Å; N325-L363 WeakPolarHBondContact CB-O 3.43Å; N325-L363 PolarHBondContact N-O 3.45Å; N325-S364 WeakPolarHBondContact O-CA 3.22Å; N325-F365 PolarHBondContact O-N 2.75Å; N325-N433 WeakPolarHBondContact CA-OD1 3.11Å; N325-N433 PolarHBondContact OD1-ND2 3.29Å
326	L	95.5	Very high	90.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	23%	0.234	C	C	.	.			trans	-99.1	14	-179.1	-51	175.7	0	0	0	113.7	I324 F365 M367 N433 C434 R440 T441 A444	I324-L326 HydrophobicContact CG2-CD2 3.8Å; I324-L326 HydrophobicContact CG2-CG 4.16Å; I324-L326 PolarHBondContact O-N 2.97Å; L326-F365 WeakPolarHBondContact CA-O 3.26Å; L326-F365 HydrophobicContact CD2-CB 4.16Å; L326-F365 HydrophobicContact CD2-CD1 3.8Å; L326-F365 HydrophobicContact CD2-CG 4.46Å; L326-M367 HydrophobicContact CD1-SD 4.5Å; L326-N433 WeakPolarHBondContact CB-O 3.42Å; L326-N433 PolarHBondContact N-O 3.03Å; L326-C434 HydrophobicContact CB-CB 4.07Å; L326-R440 HydrophobicContact CD1-CB 4.19Å; L326-R440 PolarHBondContact O-NH1 3.36Å; L326-T441 HydrophobicContact CD1-CG2 4.35Å; L326-A444 HydrophobicContact CD1-CB 3.62Å
327	V	93.2	Very high	90.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	23%	0.229	C	C	.	.			trans	-64.3	141.9	174.3	174.2	0	0	0	0	109.7	V277 N325 E336 L339 H340	V277-V327 HydrophobicContact CG2-CG2 4.07Å; N325-V327 VanDerWaalsContact OD1-CB 3.26Å; N325-V327 WeakPolarHBondContact OD1-CB 3.19Å; N325-V327 WeakPolarHBondContact OD1-CG2 3.43Å; N325-V327 PolarHBondContact OD1-N 3.25Å; V327-E336 HydrophobicContact CG1-CB 3.73Å; V327-E336 WeakPolarHBondContact CG1-O 3.38Å; V327-L339 HydrophobicContact CG1-CB 4.35Å; V327-H340 HydrophobicContact CB-CB 4.49Å; V327-H340 HydrophobicContact CG1-CB 3.98Å
328	K	89.3	Confident	90.5	Very high	47 Å²	47	56 Å²	56	20%	0.204	24%	0.239	C	C	.	.			trans	-67.9	139.4	178.3	-63.7	178.2	-169.7	129.6	0	110.6	E331 E336 G337 D366 A368	K328-E331 HydrophobicContact CB-CG 3.94Å; K328-E331 HydrophobicContact CD-CG 4.01Å; K328-E331 IonicContact NZ-OE1 3.96Å; K328-E336 HydrophobicContact CB-CB 3.98Å; K328-E336 WeakPolarHBondContact CE-OE1 3.38Å; K328-E336 PolarHBondContact N-OE2 3.48Å; K328-E336 IonicContact NZ-OE1 3.85Å; K328-E336 PolarHBondContact NZ-OE1 3.3Å; K328-E336 CarbonylContact O-C 3.57Å; K328-G337 WeakPolarHBondContact O-CA 3.42Å; K328-G337 PolarHBondContact O-N 2.83Å; K328-D366 WeakPolarHBondContact CA-OD2 3.48Å; K328-A368 HydrophobicContact CD-CB 4.21Å; K328-A368 HydrophobicContact CG-CB 4.02Å
329	R	87.4	Confident	90.6	Very high	53 Å²	53	50.7 Å²	50.7	20%	0.2	22%	0.215	C	C	.	.			trans	-97.3	-52.8	178.2	-53.3	-169.8	-37.6	-139.3	3.7	111.8	D366 E699	R329-D366 HydrophobicContact CG-CB 4.47Å; R329-D366 PolarHBondContact N-OD2 3.16Å; R329-E699 PolarHBondContact NH1-O 3.44Å
330	R	79.1	Confident	90.7	Very high	151 Å²	151	48.9 Å²	48.9	57%	0.57	21%	0.206	S	C	*	.			trans	-105.8	106.8	-175.7	-72.5	-176.6	178.9	-167.3	2.7	110.5	D697	R330-D697 IonicContact CZ-OD1 3.71Å; R330-D697 IonicContact CZ-OD2 3.37Å; R330-D697 IonicContact NE-OD1 3.84Å; R330-D697 PolarHBondContact NE-OD1 3Å; R330-D697 IonicContact NH1-OD1 2.81Å; R330-D697 PolarHBondContact NH1-OD1 3.39Å; R330-D697 IonicContact NH1-OD2 3.42Å; R330-D697 PolarHBondContact NH1-OD2 3.09Å; R330-D697 IonicContact NH2-OD1 2.64Å; R330-D697 PolarHBondContact NH2-OD1 2.87Å
331	E	82.1	Confident	90.6	Very high	43 Å²	43	53.9 Å²	53.9	20%	0.201	23%	0.23	C	C	.	.			trans	-124	149.5	175.1	-65.8	-174.9	104.9	0	0	110.2	K328 R333 R335 E336	K328-E331 HydrophobicContact CB-CG 3.94Å; K328-E331 HydrophobicContact CD-CG 4.01Å; K328-E331 IonicContact NZ-OE1 3.96Å; E331-R333 VanDerWaalsContact CB-O 3.25Å; E331-R333 WeakPolarHBondContact CB-O 3.39Å; E331-R333 PolarHBondContact O-N 3.21Å; E331-R335 IonicContact OE1-CZ 3.3Å; E331-R335 IonicContact OE1-NE 3.26Å; E331-R335 IonicContact OE1-NH2 2.94Å; E331-R335 PolarHBondContact OE1-NH2 2.86Å; E331-R335 PolarHBondContact OE2-N 3.26Å; E331-E336 WeakPolarHBondContact OE2-CB 3.01Å; E331-E336 PolarHBondContact OE2-N 3.26Å
332	R	81.6	Confident	90.5	Very high	266 Å²	266	58 Å²	58	100%	1.004	25%	0.249	S	C	*	.	S	Bend	trans	-57.8	-33.8	175.2	-71.8	-174.3	177	175.7	-2.3	113.1
333	R	83.3	Confident	90.4	Very high	210 Å²	210	58 Å²	58	79%	0.792	25%	0.249	S	C	*	.	S	Bend	trans	-123.8	122	168.6	-69	-176.2	-177.7	170.3	-0	106.3	E331 R335	E331-R333 VanDerWaalsContact CB-O 3.25Å; E331-R333 WeakPolarHBondContact CB-O 3.39Å; E331-R333 PolarHBondContact O-N 3.21Å; R333-R335 PolarHBondContact O-N 2.97Å
334	V	84.2	Confident	90.3	Very high	106 Å²	106	61.5 Å²	61.5	64%	0.642	26%	0.264	S	S	*	.			trans	-61.9	117.4	-179.2	-174.8	0	0	0	0	108.5	I338	V334-I338 HydrophobicContact CG1-CG1 3.92Å
335	R	87.5	Confident	90.1	Very high	56 Å²	56	62.8 Å²	62.8	21%	0.211	28%	0.276	C	S	.	.	S	Bend	trans	-133.1	-71.7	173.7	-62	-179.1	-57.5	119.5	18.5	109.3	E331 R333 G337 I338	E331-R335 IonicContact OE1-CZ 3.3Å; E331-R335 IonicContact OE1-NE 3.26Å; E331-R335 IonicContact OE1-NH2 2.94Å; E331-R335 PolarHBondContact OE1-NH2 2.86Å; E331-R335 PolarHBondContact OE2-N 3.26Å; R333-R335 PolarHBondContact O-N 2.97Å; R335-G337 VanDerWaalsContact C-N 3.26Å; R335-G337 PolarHBondContact O-N 2.87Å; R335-I338 PolarHBondContact O-N 3.32Å
336	E	91.1	Very high	89.9	Confident	8 Å²	8	63 Å²	63	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-31.8	180	-76.5	-176.3	-127.4	0	0	111.1	I294 V327 K328 E331 I338 L339 H340 V435 R440	I294-E336 HydrophobicContact CD1-CG 4.14Å; V327-E336 HydrophobicContact CG1-CB 3.73Å; V327-E336 WeakPolarHBondContact CG1-O 3.38Å; K328-E336 HydrophobicContact CB-CB 3.98Å; K328-E336 WeakPolarHBondContact CE-OE1 3.38Å; K328-E336 PolarHBondContact N-OE2 3.48Å; K328-E336 IonicContact NZ-OE1 3.85Å; K328-E336 PolarHBondContact NZ-OE1 3.3Å; K328-E336 CarbonylContact O-C 3.57Å; E331-E336 WeakPolarHBondContact OE2-CB 3.01Å; E331-E336 PolarHBondContact OE2-N 3.26Å; E336-I338 PolarHBondContact O-N 2.88Å; E336-I338 VanDerWaalsContact O-N 3.11Å; E336-L339 PolarHBondContact O-N 3.19Å; E336-H340 PolarHBondContact O-N 3.44Å; E336-V435 HydrophobicContact CG-CB 4.13Å; E336-V435 HydrophobicContact CG-CG1 4.48Å; E336-V435 HydrophobicContact CG-CG2 4.13Å; E336-R440 IonicContact OE1-NH2 3.92Å; E336-R440 IonicContact OE2-CZ 3.14Å; E336-R440 VanDerWaalsContact OE2-CZ 3.3Å; E336-R440 IonicContact OE2-NH1 2.72Å; E336-R440 PolarHBondContact OE2-NH1 3.41Å; E336-R440 IonicContact OE2-NH2 3.46Å; E336-R440 PolarHBondContact OE2-NH2 3.43Å
337	G	90.5	Very high	89.9	Confident	6 Å²	6	63 Å²	63	6%	0.062	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-28.3	177.9	0	0	0	0	0	114.5	K328 R335 H340 E341	K328-G337 WeakPolarHBondContact O-CA 3.42Å; K328-G337 PolarHBondContact O-N 2.83Å; R335-G337 VanDerWaalsContact C-N 3.26Å; R335-G337 PolarHBondContact O-N 2.87Å; G337-H340 WeakPolarHBondContact O-CB 3.5Å; G337-H340 PolarHBondContact O-N 2.9Å; G337-E341 PolarHBondContact O-N 3.16Å
338	I	92.5	Very high	89.9	Confident	61 Å²	61	66.1 Å²	66.1	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-49	175.5	-55.5	174.7	0	0	0	109.9	I296 V334 R335 E336 H340 E341 E342	I296-I338 HydrophobicContact CD1-CG2 4.2Å; I296-I338 HydrophobicContact CG1-CG2 3.93Å; V334-I338 HydrophobicContact CG1-CG1 3.92Å; R335-I338 PolarHBondContact O-N 3.32Å; E336-I338 PolarHBondContact O-N 2.88Å; E336-I338 VanDerWaalsContact O-N 3.11Å; I338-H340 VanDerWaalsContact C-N 3.26Å; I338-H340 PolarHBondContact O-N 2.84Å; I338-E341 PolarHBondContact O-N 3.13Å; I338-E342 HydrophobicContact CG2-CG 4.42Å; I338-E342 WeakPolarHBondContact O-CB 3.39Å; I338-E342 WeakPolarHBondContact O-CG 3.44Å; I338-E342 PolarHBondContact O-N 2.91Å; I338-E342 VanDerWaalsContact O-N 3.07Å
339	L	94.2	Very high	90	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-30.7	178.2	-62	175.2	0	0	0	112.4	V277 W281 I294 I296 V327 E336 F343 V435	V277-L339 HydrophobicContact CG2-CB 4.42Å; W281-L339 HydrophobicContact CB-CD2 3.97Å; W281-L339 HydrophobicContact CD2-CD1 3.91Å; W281-L339 HydrophobicContact CD2-CD2 3.55Å; W281-L339 HydrophobicContact CD2-CG 4.37Å; W281-L339 HydrophobicContact CE3-CD1 3.9Å; W281-L339 HydrophobicContact CE3-CD2 4.08Å; W281-L339 HydrophobicContact CG-CD2 3.49Å; W281-L339 VanDerWaalsContact CG-CD2 3.49Å; W281-L339 HydrophobicContact CH2-CD1 3.62Å; W281-L339 HydrophobicContact CZ2-CD1 3.67Å; W281-L339 HydrophobicContact CZ3-CD1 3.74Å; I294-L339 HydrophobicContact CD1-CD1 3.93Å; I294-L339 HydrophobicContact CD1-CG 4.46Å; I294-L339 HydrophobicContact CG2-CD1 4.08Å; I294-L339 HydrophobicContact CG2-CD2 3.95Å; I294-L339 HydrophobicContact CG2-CG 3.86Å; I296-L339 HydrophobicContact CD1-CD2 3.82Å; V327-L339 HydrophobicContact CG1-CB 4.35Å; E336-L339 PolarHBondContact O-N 3.19Å; L339-F343 WeakPolarHBondContact O-CB 3.25Å; L339-F343 PolarHBondContact O-N 3.44Å; L339-F343 VanDerWaalsContact O-N 3.09Å; L339-V435 HydrophobicContact CD1-CG2 4.08Å
340	H	93.8	Very high	90.3	Very high	8 Å²	8	62 Å²	62	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-52.6	177	174.2	63.2	0	0	0	111	N325 V327 E336 G337 I338 K344 S364	N325-H340 PolarHBondContact ND2-ND1 2.91Å; N325-H340 VanDerWaalsContact ND2-ND1 3.16Å; V327-H340 HydrophobicContact CB-CB 4.49Å; V327-H340 HydrophobicContact CG1-CB 3.98Å; E336-H340 PolarHBondContact O-N 3.44Å; G337-H340 WeakPolarHBondContact O-CB 3.5Å; G337-H340 PolarHBondContact O-N 2.9Å; I338-H340 VanDerWaalsContact C-N 3.26Å; I338-H340 PolarHBondContact O-N 2.84Å; H340-K344 VanDerWaalsContact O-CB 3.25Å; H340-K344 WeakPolarHBondContact O-CB 3.49Å; H340-K344 PolarHBondContact O-N 3.18Å; H340-S364 VanDerWaalsContact CE1-CB 3.4Å; H340-S364 WeakPolarHBondContact CE1-CB 3.36Å; H340-S364 PolarHBondContact CE1-OG 3Å; H340-S364 PolarHBondContact ND1-OG 3.28Å
341	E	92.7	Very high	90.9	Very high	108 Å²	108	55.5 Å²	55.5	51%	0.505	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-47.7	-178.2	-63.1	-56	154.4	0	0	111.7	G337 I338 F343 K344 A345	G337-E341 PolarHBondContact O-N 3.16Å; I338-E341 PolarHBondContact O-N 3.13Å; E341-F343 VanDerWaalsContact C-N 3.35Å; E341-F343 PolarHBondContact O-N 2.96Å; E341-K344 PolarHBondContact O-N 2.72Å; E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 3.45Å
342	E	93.1	Very high	91.3	Very high	88 Å²	88	55.5 Å²	55.5	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-42.1	179.6	-68	-59.3	141.4	0	0	112	L279 I296 I338 A345 A346	L279-E342 HydrophobicContact CD1-CB 3.59Å; I296-E342 HydrophobicContact CD1-CG 4.3Å; I296-E342 HydrophobicContact CG1-CG 4.35Å; I338-E342 HydrophobicContact CG2-CG 4.42Å; I338-E342 WeakPolarHBondContact O-CB 3.39Å; I338-E342 WeakPolarHBondContact O-CG 3.44Å; I338-E342 PolarHBondContact O-N 2.91Å; I338-E342 VanDerWaalsContact O-N 3.07Å; E342-A345 PolarHBondContact O-N 3.41Å; E342-A346 WeakPolarHBondContact O-CB 3.16Å; E342-A346 PolarHBondContact O-N 3.03Å
343	F	95.6	Very high	91.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.8	-36	-179.7	-174.8	-149.1	0	0	0	112.1	V277 P278 L279 F310 V323 L339 E341 V347 Y362	V277-F343 HydrophobicContact CG1-CB 3.76Å; V277-F343 HydrophobicContact CG1-CD1 4.05Å; V277-F343 HydrophobicContact CG1-CD2 4.38Å; V277-F343 HydrophobicContact CG1-CG 3.82Å; V277-F343 HydrophobicContact CG2-CD1 4.49Å; P278-F343 HydrophobicContact CG-CD2 4.03Å; P278-F343 HydrophobicContact CG-CE2 3.51Å; P278-F343 HydrophobicContact CG-CZ 4.08Å; L279-F343 HydrophobicContact CD1-CB 4.2Å; F310-F343 HydrophobicContact CE2-CE2 4.01Å; F310-F343 AromaticContact CZ-CE2 3.72Å; F310-F343 HydrophobicContact CZ-CE2 3.72Å; F310-F343 AromaticContact CZ-CZ 3.91Å; F310-F343 HydrophobicContact CZ-CZ 3.91Å; V323-F343 HydrophobicContact CG1-CE1 3.48Å; V323-F343 VanDerWaalsContact CG1-CE1 3.48Å; V323-F343 HydrophobicContact CG1-CZ 3.57Å; V323-F343 HydrophobicContact CG2-CZ 4.38Å; L339-F343 WeakPolarHBondContact O-CB 3.25Å; L339-F343 PolarHBondContact O-N 3.44Å; L339-F343 VanDerWaalsContact O-N 3.09Å; E341-F343 VanDerWaalsContact C-N 3.35Å; E341-F343 PolarHBondContact O-N 2.96Å; F343-V347 HydrophobicContact CD2-CG2 4.06Å; F343-V347 HydrophobicContact CE2-CG2 3.67Å; F343-V347 HydrophobicContact CZ-CG2 4.26Å; F343-V347 WeakPolarHBondContact O-CG2 3.31Å; F343-V347 PolarHBondContact O-N 2.92Å; F343-V347 VanDerWaalsContact O-N 3.11Å; F343-Y362 AromaticContact CD1-CE2 3.79Å; F343-Y362 HydrophobicContact CD1-CE2 3.79Å; F343-Y362 AromaticContact CE1-CE2 3.82Å; F343-Y362 HydrophobicContact CE1-CE2 3.82Å; F343-Y362 HydrophobicContact CG-CE2 4.21Å; F343-Y362 HydrophobicContact CZ-CE2 4.24Å
344	K	94.7	Very high	91.9	Very high	73 Å²	73	34.2 Å²	34.2	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-64.6	-44.3	174.1	-176.4	-173.4	175.7	-170.4	0	111	H340 E341 V347 S348 Y362	H340-K344 VanDerWaalsContact O-CB 3.25Å; H340-K344 WeakPolarHBondContact O-CB 3.49Å; H340-K344 PolarHBondContact O-N 3.18Å; E341-K344 PolarHBondContact O-N 2.72Å; K344-V347 PolarHBondContact O-N 3.28Å; K344-S348 WeakPolarHBondContact O-CB 3.44Å; K344-S348 PolarHBondContact O-N 3.4Å; K344-Y362 HydrophobicContact CB-CE1 4.25Å; K344-Y362 HydrophobicContact CG-CE1 4.23Å
345	A	93.3	Very high	92	Very high	35 Å²	35	33.4 Å²	33.4	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-48.3	176.5	0	0	0	0	0	111.2	E341 E342 V347 S348 Y349 Q804	E341-A345 WeakPolarHBondContact O-CB 3.42Å; E341-A345 PolarHBondContact O-N 3.45Å; E342-A345 PolarHBondContact O-N 3.41Å; A345-V347 PolarHBondContact O-N 3.38Å; A345-S348 PolarHBondContact O-N 3.37Å; A345-Y349 WeakPolarHBondContact O-CB 3.44Å; A345-Y349 PolarHBondContact O-N 3.18Å; A345-Q804 PolarHBondContact O-OE1 3.05Å
346	A	93.7	Very high	91.9	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-47.1	176.1	0	0	0	0	0	112.8	L279 A303 A306 E342 Y349 L350	L279-A346 HydrophobicContact CD2-CB 4.31Å; A303-A346 HydrophobicContact CB-CB 3.8Å; A306-A346 HydrophobicContact CB-CB 4.17Å; E342-A346 WeakPolarHBondContact O-CB 3.16Å; E342-A346 PolarHBondContact O-N 3.03Å; A346-Y349 PolarHBondContact O-N 2.91Å; A346-L350 WeakPolarHBondContact O-CB 3.35Å; A346-L350 WeakPolarHBondContact O-CG 3.23Å; A346-L350 PolarHBondContact O-N 3.39Å
347	V	94.7	Very high	91.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-41.4	178.5	174.8	0	0	0	0	111.8	F310 F343 K344 A345 Y349 L350 N351 V360 Y362	F310-V347 HydrophobicContact CE2-CG2 3.66Å; F310-V347 HydrophobicContact CZ-CG2 3.76Å; F343-V347 HydrophobicContact CD2-CG2 4.06Å; F343-V347 HydrophobicContact CE2-CG2 3.67Å; F343-V347 HydrophobicContact CZ-CG2 4.26Å; F343-V347 WeakPolarHBondContact O-CG2 3.31Å; F343-V347 PolarHBondContact O-N 2.92Å; F343-V347 VanDerWaalsContact O-N 3.11Å; K344-V347 PolarHBondContact O-N 3.28Å; A345-V347 PolarHBondContact O-N 3.38Å; V347-Y349 VanDerWaalsContact C-N 3.32Å; V347-Y349 PolarHBondContact O-N 2.88Å; V347-L350 PolarHBondContact O-N 3.21Å; V347-N351 WeakPolarHBondContact O-CB 3.47Å; V347-N351 PolarHBondContact O-N 2.86Å; V347-V360 HydrophobicContact CG1-CB 4.09Å; V347-V360 HydrophobicContact CG1-CG1 4.05Å; V347-Y362 HydrophobicContact CB-CD2 4.1Å; V347-Y362 HydrophobicContact CG1-CD2 4.15Å; V347-Y362 HydrophobicContact CG1-CG 4.48Å; V347-Y362 HydrophobicContact CG2-CD2 3.88Å; V347-Y362 HydrophobicContact CG2-CE2 4.22Å
348	S	92.7	Very high	91.4	Very high	67 Å²	67	39.3 Å²	39.3	47%	0.469	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-41.7	176.5	-168.8	0	0	0	0	111.9	K344 A345	K344-S348 WeakPolarHBondContact O-CB 3.44Å; K344-S348 PolarHBondContact O-N 3.4Å; A345-S348 PolarHBondContact O-N 3.37Å
349	Y	92.7	Very high	91.4	Very high	11 Å²	11	36.4 Å²	36.4	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.2	176.6	-93.3	0	0	0	111.4	F302 A303 A345 A346 V347 Q352 F353 Y576 Q804 P805	F302-Y349 HydrophobicContact CB-CE1 4.43Å; F302-Y349 WeakPolarHBondContact CD1-OH 3.25Å; F302-Y349 WeakPolarHBondContact O-CE1 3.48Å; A303-Y349 HydrophobicContact CB-CD1 4.01Å; A345-Y349 WeakPolarHBondContact O-CB 3.44Å; A345-Y349 PolarHBondContact O-N 3.18Å; A346-Y349 PolarHBondContact O-N 2.91Å; V347-Y349 VanDerWaalsContact C-N 3.32Å; V347-Y349 PolarHBondContact O-N 2.88Å; Y349-Q352 VanDerWaalsContact O-CD 3.32Å; Y349-Q352 WeakPolarHBondContact O-CG 3.45Å; Y349-Q352 PolarHBondContact O-N 2.98Å; Y349-Q352 PolarHBondContact O-NE2 3.49Å; Y349-Q352 VanDerWaalsContact O-NE2 3.09Å; Y349-F353 HydrophobicContact CD1-CE2 4.15Å; Y349-F353 AromaticContact CE1-CE2 3.56Å; Y349-F353 HydrophobicContact CE1-CE2 3.56Å; Y349-F353 HydrophobicContact CE1-CZ 4.27Å; Y349-F353 HydrophobicContact CE2-CE2 4.34Å; Y349-F353 HydrophobicContact CE2-CZ 4.41Å; Y349-F353 AromaticContact CZ-CE2 3.65Å; Y349-F353 AromaticContact CZ-CZ 3.88Å; Y349-Y576 WeakPolarHBondContact OH-CD2 3.27Å; Y349-Q804 HydrophobicContact CD2-CB 4.28Å; Y349-P805 HydrophobicContact CE2-CG 4.47Å; Y349-P805 VanDerWaalsContact CE2-O 3.22Å; Y349-P805 WeakPolarHBondContact CE2-O 3.29Å
350	L	92.9	Very high	91.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-38.6	-178.5	-69.8	174.4	0	0	0	113.1	A303 A306 A307 F310 A346 V347 Q352 F353 W579	A303-L350 HydrophobicContact CB-CD1 4.26Å; A303-L350 HydrophobicContact CB-CD2 4.14Å; A303-L350 HydrophobicContact CB-CG 4Å; A306-L350 HydrophobicContact CB-CD1 3.97Å; A307-L350 HydrophobicContact CB-CD1 4.16Å; A307-L350 HydrophobicContact CB-CD2 3.51Å; F310-L350 HydrophobicContact CD2-CD1 3.87Å; F310-L350 HydrophobicContact CE2-CD1 4.37Å; A346-L350 WeakPolarHBondContact O-CB 3.35Å; A346-L350 WeakPolarHBondContact O-CG 3.23Å; A346-L350 PolarHBondContact O-N 3.39Å; V347-L350 PolarHBondContact O-N 3.21Å; L350-Q352 PolarHBondContact O-N 2.88Å; L350-F353 PolarHBondContact O-N 2.72Å; L350-W579 HydrophobicContact CB-CZ2 3.66Å; L350-W579 HydrophobicContact CD2-CD2 4.03Å; L350-W579 HydrophobicContact CD2-CG 3.95Å; L350-W579 HydrophobicContact CG-CZ2 4.49Å; L350-W579 PolarHBondContact O-NE1 2.82Å
351	N	93.1	Very high	91.5	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-17.1	179.3	-80.2	-12	0	0	0	113.2	V347 F353 A359 V360	V347-N351 WeakPolarHBondContact O-CB 3.47Å; V347-N351 PolarHBondContact O-N 2.86Å; N351-F353 PolarHBondContact O-N 2.83Å; N351-A359 HydrophobicContact CB-CB 4.49Å; N351-V360 PolarHBondContact ND2-O 2.75Å; N351-V360 PolarHBondContact OD1-N 2.99Å
352	Q	90.4	Very high	91.6	Very high	43 Å²	43	31.3 Å²	31.3	20%	0.201	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.2	176	88.5	-166.4	-41.5	0	0	112.9	Y349 L350 I812	Y349-Q352 VanDerWaalsContact O-CD 3.32Å; Y349-Q352 WeakPolarHBondContact O-CG 3.45Å; Y349-Q352 PolarHBondContact O-N 2.98Å; Y349-Q352 PolarHBondContact O-NE2 3.49Å; Y349-Q352 VanDerWaalsContact O-NE2 3.09Å; L350-Q352 PolarHBondContact O-N 2.88Å; Q352-I812 HydrophobicContact CB-CD1 4.39Å; Q352-I812 HydrophobicContact CG-CD1 4.29Å; Q352-I812 VanDerWaalsContact O-CD1 3.27Å; Q352-I812 WeakPolarHBondContact O-CD1 3.2Å
353	F	89	Confident	91.7	Very high	19 Å²	19	27.1 Å²	27.1	8%	0.083	15%	0.15	C	C	.	.	S	Bend	trans	-99.6	-12.8	-175.8	-56.5	-64.2	0	0	0	114.1	Y349 L350 N351 Y576 C577 F580 V807	Y349-F353 HydrophobicContact CD1-CE2 4.15Å; Y349-F353 AromaticContact CE1-CE2 3.56Å; Y349-F353 HydrophobicContact CE1-CE2 3.56Å; Y349-F353 HydrophobicContact CE1-CZ 4.27Å; Y349-F353 HydrophobicContact CE2-CE2 4.34Å; Y349-F353 HydrophobicContact CE2-CZ 4.41Å; Y349-F353 AromaticContact CZ-CE2 3.65Å; Y349-F353 AromaticContact CZ-CZ 3.88Å; L350-F353 PolarHBondContact O-N 2.72Å; N351-F353 PolarHBondContact O-N 2.83Å; F353-Y576 HydrophobicContact CE2-CD2 4.24Å; F353-Y576 AromaticContact CZ-CD2 3.93Å; F353-Y576 HydrophobicContact CZ-CD2 3.93Å; F353-Y576 HydrophobicContact CZ-CE2 4.02Å; F353-C577 WeakPolarHBondContact CB-O 3.12Å; F353-C577 HydrophobicContact CD1-CB 4.03Å; F353-C577 HydrophobicContact CE1-CB 4.21Å; F353-C577 WeakPolarHBondContact CE1-SG 3.28Å; F353-F580 VanDerWaalsContact O-CE1 3.31Å; F353-F580 WeakPolarHBondContact O-CE1 3.27Å; F353-V807 HydrophobicContact CE1-CB 4.35Å; F353-V807 HydrophobicContact CE1-CG2 3.89Å; F353-V807 HydrophobicContact CZ-CG2 4.05Å
354	V	87.2	Confident	91.6	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	15%	0.15	C	C	.	.	S	Bend	trans	-103.8	147.6	-175	-174.1	0	0	0	0	109.8	K358 W579 F580	V354-K358 HydrophobicContact CG1-CB 3.55Å; V354-W579 HydrophobicContact CG2-CH2 4Å; V354-W579 HydrophobicContact CG2-CZ2 3.2Å; V354-F580 HydrophobicContact CB-CD1 4.5Å; V354-F580 HydrophobicContact CG2-CB 4.06Å; V354-F580 HydrophobicContact CG2-CD1 3.54Å; V354-F580 HydrophobicContact CG2-CE1 4.22Å; V354-F580 HydrophobicContact CG2-CG 3.96Å
355	D	86.2	Confident	91.6	Very high	89 Å²	89	23.8 Å²	23.8	48%	0.476	14%	0.135	S	C	.	.			trans	-50.8	130.8	167.2	-173.2	-42.2	0	0	0	110.4	V357 K358 A359	D355-V357 PolarHBondContact O-N 3.16Å; D355-V357 WeakPolarHBondContact OD1-CB 3.47Å; D355-V357 WeakPolarHBondContact OD1-CG2 3.42Å; D355-V357 PolarHBondContact OD1-N 2.84Å; D355-K358 CarbonylContact O-C 3.53Å; D355-K358 WeakPolarHBondContact O-CA 3.46Å; D355-K358 PolarHBondContact O-N 3.49Å; D355-A359 PolarHBondContact O-N 3.16Å
356	P	86.1	Confident	91.5	Very high	74 Å²	74	22.6 Å²	22.6	48%	0.481	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-26.2	176.3	-28.8	34.8	0	0	0	115.5	T708	P356-T708 HydrophobicContact CB-CG2 4.22Å; P356-T708 PolarHBondContact O-OG1 3.31Å
357	V	84.8	Confident	91.2	Very high	30 Å²	30	22.4 Å²	22.4	18%	0.182	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-37.6	174.7	179.5	0	0	0	0	111.8	D355	D355-V357 PolarHBondContact O-N 3.16Å; D355-V357 WeakPolarHBondContact OD1-CB 3.47Å; D355-V357 WeakPolarHBondContact OD1-CG2 3.42Å; D355-V357 PolarHBondContact OD1-N 2.84Å
358	K	86.7	Confident	90.7	Very high	89 Å²	89	23.6 Å²	23.6	39%	0.387	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.4	-179.8	-62.9	-178.2	-177.5	171.4	0	113.2	V354 D355	V354-K358 HydrophobicContact CG1-CB 3.55Å; D355-K358 CarbonylContact O-C 3.53Å; D355-K358 WeakPolarHBondContact O-CA 3.46Å; D355-K358 PolarHBondContact O-N 3.49Å
359	A	91.8	Very high	90.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	12%	0.124	C	C	.	.	S	Bend	trans	-55.7	146.6	179.4	0	0	0	0	0	112.4	N351 D355 R361	N351-A359 HydrophobicContact CB-CB 4.49Å; D355-A359 PolarHBondContact O-N 3.16Å; A359-R361 PolarHBondContact O-N 2.75Å
360	V	94.6	Very high	89.9	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.122	C	C	.	.			trans	-70.9	119.4	175.3	178.7	0	0	0	0	108.4	F310 I321 V323 V347 N351 Y362 W579	F310-V360 HydrophobicContact CB-CG2 4.33Å; F310-V360 HydrophobicContact CD1-CG1 4.16Å; F310-V360 HydrophobicContact CD1-CG2 3.91Å; F310-V360 HydrophobicContact CD2-CG2 4.43Å; F310-V360 HydrophobicContact CE1-CG1 3.72Å; F310-V360 HydrophobicContact CE1-CG2 4.3Å; F310-V360 HydrophobicContact CG-CG2 3.99Å; F310-V360 HydrophobicContact CZ-CG1 4Å; I321-V360 HydrophobicContact CB-CG1 4.44Å; I321-V360 HydrophobicContact CG2-CG1 4.39Å; V323-V360 HydrophobicContact CG2-CG1 3.52Å; V347-V360 HydrophobicContact CG1-CB 4.09Å; V347-V360 HydrophobicContact CG1-CG1 4.05Å; N351-V360 PolarHBondContact ND2-O 2.75Å; N351-V360 PolarHBondContact OD1-N 2.99Å; V360-Y362 PolarHBondContact O-N 3.19Å; V360-W579 HydrophobicContact CG2-CH2 4.22Å
361	R	94.9	Very high	89.4	Confident	3 Å²	3	25.4 Å²	25.4	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111	179.8	-57.1	-63.8	177.8	95	-2.3	109	P320 I321 V322 V323 A359 L390 E705 W706 T708	P320-R361 HydrophobicContact CB-CG 3.9Å; I321-R361 PolarHBondContact O-N 3.32Å; V322-R361 CarbonylContact C-O 3.48Å; V322-R361 WeakPolarHBondContact CA-O 3.46Å; V322-R361 HydrophobicContact CG2-CB 4.2Å; V323-R361 PolarHBondContact N-O 2.86Å; A359-R361 PolarHBondContact O-N 2.75Å; R361-L390 HydrophobicContact CG-CD1 4.36Å; R361-E705 VanDerWaalsContact CD-O 3.28Å; R361-E705 WeakPolarHBondContact CD-O 3.44Å; R361-E705 PolarHBondContact NE-O 3.37Å; R361-W706 HydrophobicContact CB-CE3 3.94Å; R361-W706 HydrophobicContact CB-CZ3 3.79Å; R361-W706 PolarHBondContact NH1-O 3.43Å; R361-T708 PolarHBondContact NH1-O 2.7Å; R361-T708 PolarHBondContact NH2-O 2.96Å; R361-T708 PolarHBondContact NH2-OG1 3.45Å
362	Y	95.7	Very high	88.7	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.8	-177.1	-171.4	-84.4	0	0	0	111.8	V323 N325 F343 K344 V347 V360 Q703	V323-Y362 HydrophobicContact CB-CD2 3.9Å; V323-Y362 HydrophobicContact CG1-CD2 3.64Å; V323-Y362 HydrophobicContact CG1-CE2 3.86Å; N325-Y362 HydrophobicContact CB-CE1 4.43Å; N325-Y362 HydrophobicContact CB-CE2 4.32Å; N325-Y362 PolarHBondContact ND2-OH 2.98Å; F343-Y362 AromaticContact CD1-CE2 3.79Å; F343-Y362 HydrophobicContact CD1-CE2 3.79Å; F343-Y362 AromaticContact CE1-CE2 3.82Å; F343-Y362 HydrophobicContact CE1-CE2 3.82Å; F343-Y362 HydrophobicContact CG-CE2 4.21Å; F343-Y362 HydrophobicContact CZ-CE2 4.24Å; K344-Y362 HydrophobicContact CB-CE1 4.25Å; K344-Y362 HydrophobicContact CG-CE1 4.23Å; V347-Y362 HydrophobicContact CB-CD2 4.1Å; V347-Y362 HydrophobicContact CG1-CD2 4.15Å; V347-Y362 HydrophobicContact CG1-CG 4.48Å; V347-Y362 HydrophobicContact CG2-CD2 3.88Å; V347-Y362 HydrophobicContact CG2-CE2 4.22Å; V360-Y362 PolarHBondContact O-N 3.19Å; Y362-Q703 HydrophobicContact CD1-CG 4.05Å; Y362-Q703 HydrophobicContact CG-CG 4.4Å; Y362-Q703 PolarHBondContact O-N 3.05Å; Y362-Q703 VanDerWaalsContact O-N 3.08Å
363	L	95.1	Very high	87.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.7	165.9	75.3	85.8	0	0	0	111.1	V323 I324 N325 F365 I383 I700 V701 Y702 W706	V323-L363 PolarHBondContact O-N 2.79Å; I324-L363 HydrophobicContact CB-CD1 4.34Å; I324-L363 HydrophobicContact CG1-CD1 4.46Å; I324-L363 HydrophobicContact CG1-CD2 4.11Å; I324-L363 HydrophobicContact CG1-CG 4.3Å; I324-L363 HydrophobicContact CG2-CD1 4Å; N325-L363 WeakPolarHBondContact CB-O 3.43Å; N325-L363 PolarHBondContact N-O 3.45Å; L363-F365 HydrophobicContact CD1-CB 4.33Å; L363-I383 HydrophobicContact CD1-CD1 4.05Å; L363-I383 HydrophobicContact CD1-CG1 4.37Å; L363-I383 HydrophobicContact CD1-CG2 4.41Å; L363-I383 HydrophobicContact CD2-CG1 4.42Å; L363-I383 HydrophobicContact CD2-CG2 3.75Å; L363-I700 HydrophobicContact CB-CG2 4.47Å; L363-I700 HydrophobicContact CD1-CG2 4.25Å; L363-V701 CarbonylContact C-O 3.44Å; L363-V701 WeakPolarHBondContact CA-O 3.33Å; L363-Y702 HydrophobicContact CB-CD1 3.84Å; L363-Y702 HydrophobicContact CB-CE1 4.14Å; L363-Y702 HydrophobicContact CD2-CD1 4.46Å; L363-Y702 HydrophobicContact CD2-CE1 4.01Å; L363-W706 HydrophobicContact CB-CH2 4.45Å; L363-W706 HydrophobicContact CB-CZ3 4.05Å; L363-W706 HydrophobicContact CD2-CH2 3.51Å; L363-W706 HydrophobicContact CD2-CZ2 4.25Å; L363-W706 HydrophobicContact CD2-CZ3 3.9Å; L363-W706 HydrophobicContact CG-CH2 4.49Å; L363-W706 HydrophobicContact CG-CZ3 4.44Å
364	S	93.9	Very high	87	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.1	173.4	179.7	0	0	0	0	111.6	N325 H340 V701	N325-S364 WeakPolarHBondContact O-CA 3.22Å; H340-S364 VanDerWaalsContact CE1-CB 3.4Å; H340-S364 WeakPolarHBondContact CE1-CB 3.36Å; H340-S364 PolarHBondContact CE1-OG 3Å; H340-S364 PolarHBondContact ND1-OG 3.28Å; S364-V701 PolarHBondContact N-O 3.15Å; S364-V701 PolarHBondContact O-N 2.96Å
365	F	93.9	Very high	86.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.009	21%	0.211	C	C	.	.			trans	-139.9	111	-179.7	175	-125.8	0	0	0	111.2	N325 L326 L363 M367 C370 K379 L380 I383 I700	N325-F365 PolarHBondContact O-N 2.75Å; L326-F365 WeakPolarHBondContact CA-O 3.26Å; L326-F365 HydrophobicContact CD2-CB 4.16Å; L326-F365 HydrophobicContact CD2-CD1 3.8Å; L326-F365 HydrophobicContact CD2-CG 4.46Å; L363-F365 HydrophobicContact CD1-CB 4.33Å; F365-M367 HydrophobicContact CD1-CB 3.89Å; F365-M367 HydrophobicContact CE1-CB 3.62Å; F365-M367 HydrophobicContact CE1-CG 3.88Å; F365-M367 HydrophobicContact CZ-CB 4.33Å; F365-M367 PolarHBondContact O-N 3.18Å; F365-C370 HydrophobicContact CE2-CB 3.79Å; F365-C370 HydrophobicContact CZ-CB 3.79Å; F365-K379 HydrophobicContact CE2-CB 3.85Å; F365-K379 HydrophobicContact CE2-CG 4.37Å; F365-K379 HydrophobicContact CZ-CB 3.75Å; F365-L380 HydrophobicContact CD1-CD2 3.96Å; F365-L380 HydrophobicContact CD1-CG 4.48Å; F365-L380 HydrophobicContact CE1-CD2 3.84Å; F365-L380 HydrophobicContact CE1-CG 3.87Å; F365-I383 HydrophobicContact CB-CD1 3.89Å; F365-I383 HydrophobicContact CD1-CD1 3.83Å; F365-I383 HydrophobicContact CG-CD1 3.84Å; F365-I700 HydrophobicContact CD2-CG1 4.06Å
366	D	90.6	Very high	86.6	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.053	19%	0.19	C	C	.	.			trans	-76.7	75.5	174.9	-165.5	-26.5	0	0	0	110.8	K328 R329 A368 R369 C370	K328-D366 WeakPolarHBondContact CA-OD2 3.48Å; R329-D366 HydrophobicContact CG-CB 4.47Å; R329-D366 PolarHBondContact N-OD2 3.16Å; D366-A368 PolarHBondContact O-N 2.72Å; D366-A368 PolarHBondContact OD1-N 2.87Å; D366-R369 HydrophobicContact CB-CB 4.4Å; D366-R369 PolarHBondContact O-N 3.49Å; D366-R369 PolarHBondContact OD1-N 3.29Å; D366-R369 VanDerWaalsContact OD1-N 3.13Å; D366-C370 PolarHBondContact O-N 3.09Å
367	M	88.1	Confident	86.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-35	-179.1	-175.8	-174.3	-178.6	0	0	112.3	L326 F365 R369 C370 H371 L380 R440 V443 Y505	L326-M367 HydrophobicContact CD1-SD 4.5Å; F365-M367 HydrophobicContact CD1-CB 3.89Å; F365-M367 HydrophobicContact CE1-CB 3.62Å; F365-M367 HydrophobicContact CE1-CG 3.88Å; F365-M367 HydrophobicContact CZ-CB 4.33Å; F365-M367 PolarHBondContact O-N 3.18Å; M367-R369 VanDerWaalsContact C-N 3.34Å; M367-R369 PolarHBondContact O-N 3.36Å; M367-C370 PolarHBondContact O-N 2.91Å; M367-H371 VanDerWaalsContact O-CB 3.28Å; M367-H371 WeakPolarHBondContact O-CB 3.33Å; M367-H371 PolarHBondContact O-N 3.3Å; M367-L380 HydrophobicContact CE-CD1 3.59Å; M367-L380 HydrophobicContact SD-CD1 4.12Å; M367-R440 HydrophobicContact SD-CB 4Å; M367-R440 HydrophobicContact SD-CG 4.08Å; M367-V443 HydrophobicContact CE-CB 3.65Å; M367-V443 HydrophobicContact CE-CG1 3.45Å; M367-V443 VanDerWaalsContact CE-CG1 3.45Å; M367-V443 HydrophobicContact CE-CG2 4.32Å; M367-Y505 HydrophobicContact CE-CD1 3.38Å; M367-Y505 HydrophobicContact CE-CE1 3.38Å; M367-Y505 HydrophobicContact CE-CG 4.07Å; M367-Y505 HydrophobicContact CG-CE1 4.45Å; M367-Y505 HydrophobicContact SD-CE1 4.21Å
368	A	84.1	Confident	87	Confident	25 Å²	25	32 Å²	32	21%	0.207	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-35	-176.8	0	0	0	0	0	112.2	K328 D366	K328-A368 HydrophobicContact CD-CB 4.21Å; K328-A368 HydrophobicContact CG-CB 4.02Å; D366-A368 PolarHBondContact O-N 2.72Å; D366-A368 PolarHBondContact OD1-N 2.87Å
369	R	83.2	Confident	87.2	Confident	72 Å²	72	30.1 Å²	30.1	27%	0.272	17%	0.174	S	C	.	.	H	α-helix	trans	-75.8	-45.5	173	-171.3	175.6	-177.7	-172.4	-3.6	111.5	D366 M367 H371 K372 G373 D697	D366-R369 HydrophobicContact CB-CB 4.4Å; D366-R369 PolarHBondContact O-N 3.49Å; D366-R369 PolarHBondContact OD1-N 3.29Å; D366-R369 VanDerWaalsContact OD1-N 3.13Å; M367-R369 VanDerWaalsContact C-N 3.34Å; M367-R369 PolarHBondContact O-N 3.36Å; R369-H371 VanDerWaalsContact C-N 3.26Å; R369-H371 PolarHBondContact O-N 2.94Å; R369-K372 WeakPolarHBondContact O-CB 3.45Å; R369-K372 PolarHBondContact O-N 3.46Å; R369-K372 VanDerWaalsContact O-N 3.08Å; R369-G373 PolarHBondContact O-N 3.21Å; R369-D697 IonicContact CZ-OD2 2.7Å; R369-D697 IonicContact NH1-OD1 2.71Å; R369-D697 IonicContact NH1-OD2 3.13Å; R369-D697 PolarHBondContact NH1-OD2 3.32Å; R369-D697 IonicContact NH2-OD2 3.07Å; R369-D697 PolarHBondContact NH2-OD2 3.22Å
370	C	84.8	Confident	87.4	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-36.6	179.6	-170.8	0	0	0	0	112.5	F365 D366 M367 K372 G373 G374 D375 S376 Y698	F365-C370 HydrophobicContact CE2-CB 3.79Å; F365-C370 HydrophobicContact CZ-CB 3.79Å; D366-C370 PolarHBondContact O-N 3.09Å; M367-C370 PolarHBondContact O-N 2.91Å; C370-K372 VanDerWaalsContact C-N 3.28Å; C370-K372 PolarHBondContact O-N 2.94Å; C370-G373 CarbonylContact O-C 3.48Å; C370-G373 PolarHBondContact O-N 3.04Å; C370-G374 PolarHBondContact O-N 3.49Å; C370-D375 PolarHBondContact O-N 2.88Å; C370-S376 VanDerWaalsContact SG-CA 3.55Å; C370-S376 PolarHBondContact SG-N 3.24Å; C370-S376 VanDerWaalsContact SG-N 3.44Å; C370-Y698 HydrophobicContact CB-CD1 4.27Å
371	H	82.6	Confident	87.3	Confident	43 Å²	43	32 Å²	32	20%	0.199	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-35	176.2	-179.3	62.3	0	0	0	113	M367 R369 G374 T504 Y505	M367-H371 VanDerWaalsContact O-CB 3.28Å; M367-H371 WeakPolarHBondContact O-CB 3.33Å; M367-H371 PolarHBondContact O-N 3.3Å; R369-H371 VanDerWaalsContact C-N 3.26Å; R369-H371 PolarHBondContact O-N 2.94Å; H371-G374 PolarHBondContact O-N 2.84Å; H371-T504 PolarHBondContact CE1-O 3.43Å; H371-Y505 HydrophobicContact CB-CD1 4.36Å; H371-Y505 HydrophobicContact CB-CE1 4.41Å; H371-Y505 PolarHBondContact CE1-O 3.03Å; H371-Y505 AromaticContact CG-CD1 3.86Å; H371-Y505 AromaticContact ND1-CD1 3.65Å
372	K	78.2	Confident	87.2	Confident	180 Å²	180	35.8 Å²	35.8	78%	0.783	20%	0.2	S	C	*	.	H	α-helix	trans	-65.8	-38.9	173.7	-64.8	179.3	178.5	-179	0	112	R369 C370	R369-K372 WeakPolarHBondContact O-CB 3.45Å; R369-K372 PolarHBondContact O-N 3.46Å; R369-K372 VanDerWaalsContact O-N 3.08Å; C370-K372 VanDerWaalsContact C-N 3.28Å; C370-K372 PolarHBondContact O-N 2.94Å
373	G	73.7	Confident	87.2	Confident	46 Å²	46	35.7 Å²	35.7	47%	0.474	20%	0.2	S	C	.	.	H	α-helix	trans	-74.5	-21.5	177.4	0	0	0	0	0	114.3	R369 C370	R369-G373 PolarHBondContact O-N 3.21Å; C370-G373 CarbonylContact O-C 3.48Å; C370-G373 PolarHBondContact O-N 3.04Å
374	G	69.9	Low	87.2	Confident	42 Å²	42	35.9 Å²	35.9	43%	0.433	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.3	9.2	171.1	0	0	0	0	0	117.1	C370 H371	C370-G374 PolarHBondContact O-N 3.49Å; H371-G374 PolarHBondContact O-N 2.84Å
375	D	78.7	Confident	87.1	Confident	78 Å²	78	36.9 Å²	36.9	42%	0.417	21%	0.209	S	C	.	.			trans	-120.7	17.8	-175	-162.3	28.4	0	0	0	114.5	C370 L377 A378 K379	C370-D375 PolarHBondContact O-N 2.88Å; D375-L377 VanDerWaalsContact C-N 3.32Å; D375-L377 PolarHBondContact O-N 3.28Å; D375-A378 VanDerWaalsContact OD1-CB 3.27Å; D375-A378 WeakPolarHBondContact OD1-CB 3.46Å; D375-K379 WeakPolarHBondContact O-CG 3.44Å; D375-K379 PolarHBondContact O-N 2.87Å
376	S	86.5	Confident	87	Confident	4 Å²	4	39 Å²	39	3%	0.028	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-32.3	-172	56.4	0	0	0	0	114.1	C370 L380	C370-S376 VanDerWaalsContact SG-CA 3.55Å; C370-S376 PolarHBondContact SG-N 3.24Å; C370-S376 VanDerWaalsContact SG-N 3.44Å; S376-L380 VanDerWaalsContact O-CG 3.22Å; S376-L380 WeakPolarHBondContact O-CG 3.39Å; S376-L380 PolarHBondContact O-N 2.55Å; S376-L380 VanDerWaalsContact O-N 3.16Å
377	L	90.3	Very high	87.1	Confident	25 Å²	25	38.6 Å²	38.6	13%	0.131	22%	0.216	C	C	.	.	H	α-helix	trans	-76.8	-41.7	-176.6	-68	179.1	0	0	0	112.4	D375 K379 L380 E381 V443 V447 F470 K506	D375-L377 VanDerWaalsContact C-N 3.32Å; D375-L377 PolarHBondContact O-N 3.28Å; L377-K379 VanDerWaalsContact C-N 3.33Å; L377-K379 PolarHBondContact O-N 2.97Å; L377-L380 HydrophobicContact CD2-CD1 4.47Å; L377-L380 WeakPolarHBondContact O-CB 3.27Å; L377-L380 PolarHBondContact O-N 2.87Å; L377-L380 VanDerWaalsContact O-N 3.15Å; L377-E381 WeakPolarHBondContact O-CG 3.47Å; L377-E381 PolarHBondContact O-N 2.83Å; L377-V443 HydrophobicContact CD2-CG1 4Å; L377-V447 HydrophobicContact CD2-CG2 4.16Å; L377-F470 HydrophobicContact CB-CE2 4.07Å; L377-F470 HydrophobicContact CB-CZ 3.89Å; L377-F470 HydrophobicContact CD1-CE1 4.49Å; L377-F470 HydrophobicContact CD1-CZ 4.39Å; L377-F470 HydrophobicContact CG-CZ 4.49Å; L377-K506 HydrophobicContact CD1-CB 4.37Å; L377-K506 HydrophobicContact CD1-CG 3.68Å
378	A	89.5	Confident	87.3	Confident	45 Å²	45	38.7 Å²	38.7	37%	0.372	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-39.6	177.5	0	0	0	0	0	111.1	D375 L380 E381 E382	D375-A378 VanDerWaalsContact OD1-CB 3.27Å; D375-A378 WeakPolarHBondContact OD1-CB 3.46Å; A378-L380 VanDerWaalsContact C-N 3.31Å; A378-L380 PolarHBondContact O-N 2.94Å; A378-E381 WeakPolarHBondContact O-CB 3.43Å; A378-E381 PolarHBondContact O-N 2.89Å; A378-E381 VanDerWaalsContact O-N 3.11Å; A378-E382 PolarHBondContact O-N 3.37Å
379	K	91.8	Very high	87.6	Confident	49 Å²	49	41 Å²	41	21%	0.213	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-35.7	172.3	-69.9	-73	160.4	-160.9	0	112.8	F365 D375 L377 E382 I383 I700	F365-K379 HydrophobicContact CE2-CB 3.85Å; F365-K379 HydrophobicContact CE2-CG 4.37Å; F365-K379 HydrophobicContact CZ-CB 3.75Å; D375-K379 WeakPolarHBondContact O-CG 3.44Å; D375-K379 PolarHBondContact O-N 2.87Å; L377-K379 VanDerWaalsContact C-N 3.33Å; L377-K379 PolarHBondContact O-N 2.97Å; K379-E382 IonicContact NZ-OE2 3.92Å; K379-E382 PolarHBondContact NZ-OE2 2.82Å; K379-E382 WeakPolarHBondContact O-CB 3.36Å; K379-E382 PolarHBondContact O-N 2.78Å; K379-I383 WeakPolarHBondContact O-CG1 3.46Å; K379-I383 PolarHBondContact O-N 2.86Å; K379-I700 HydrophobicContact CB-CD1 4.27Å; K379-I700 HydrophobicContact CD-CD1 3.73Å; K379-I700 HydrophobicContact CD-CG1 4.08Å
380	L	94.7	Very high	88	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-69.4	-33.3	172.3	-73.8	170.4	0	0	0	112.6	F365 M367 S376 L377 A378 I383 S384 V443 A444 V447	F365-L380 HydrophobicContact CD1-CD2 3.96Å; F365-L380 HydrophobicContact CD1-CG 4.48Å; F365-L380 HydrophobicContact CE1-CD2 3.84Å; F365-L380 HydrophobicContact CE1-CG 3.87Å; M367-L380 HydrophobicContact CE-CD1 3.59Å; M367-L380 HydrophobicContact SD-CD1 4.12Å; S376-L380 VanDerWaalsContact O-CG 3.22Å; S376-L380 WeakPolarHBondContact O-CG 3.39Å; S376-L380 PolarHBondContact O-N 2.55Å; S376-L380 VanDerWaalsContact O-N 3.16Å; L377-L380 HydrophobicContact CD2-CD1 4.47Å; L377-L380 WeakPolarHBondContact O-CB 3.27Å; L377-L380 PolarHBondContact O-N 2.87Å; L377-L380 VanDerWaalsContact O-N 3.15Å; A378-L380 VanDerWaalsContact C-N 3.31Å; A378-L380 PolarHBondContact O-N 2.94Å; L380-I383 HydrophobicContact CD2-CD1 4.29Å; L380-S384 VanDerWaalsContact O-CB 3.26Å; L380-S384 WeakPolarHBondContact O-CB 3.49Å; L380-S384 PolarHBondContact O-N 3.15Å; L380-S384 PolarHBondContact O-OG 3.25Å; L380-V443 HydrophobicContact CD1-CG1 4.2Å; L380-A444 HydrophobicContact CD2-CB 3.91Å; L380-V447 HydrophobicContact CB-CB 4.02Å; L380-V447 HydrophobicContact CB-CG1 3.82Å; L380-V447 HydrophobicContact CB-CG2 4.07Å; L380-V447 HydrophobicContact CD1-CG2 4.24Å
381	E	93.8	Very high	88.3	Confident	40 Å²	40	38.5 Å²	38.5	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-41.5	172.3	-69.3	-175.3	133.8	0	0	111.3	L377 A378 S384 S385 V447 K450 F470	L377-E381 WeakPolarHBondContact O-CG 3.47Å; L377-E381 PolarHBondContact O-N 2.83Å; A378-E381 WeakPolarHBondContact O-CB 3.43Å; A378-E381 PolarHBondContact O-N 2.89Å; A378-E381 VanDerWaalsContact O-N 3.11Å; E381-S384 PolarHBondContact O-N 2.82Å; E381-S385 PolarHBondContact O-N 2.98Å; E381-V447 HydrophobicContact CB-CG1 4.42Å; E381-V447 HydrophobicContact CG-CG1 3.78Å; E381-K450 IonicContact OE1-NZ 2.79Å; E381-K450 PolarHBondContact OE1-NZ 3.16Å; E381-F470 HydrophobicContact CG-CE2 4.02Å; E381-F470 HydrophobicContact CG-CZ 3.87Å; E381-F470 WeakPolarHBondContact OE1-CE2 3.23Å
382	E	92.6	Very high	88.8	Confident	81 Å²	81	36.7 Å²	36.7	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-58.4	-51.3	173.5	-173.9	-176.2	163.9	0	0	111.1	A378 K379 S384 S385 Q386 I700	A378-E382 PolarHBondContact O-N 3.37Å; K379-E382 IonicContact NZ-OE2 3.92Å; K379-E382 PolarHBondContact NZ-OE2 2.82Å; K379-E382 WeakPolarHBondContact O-CB 3.36Å; K379-E382 PolarHBondContact O-N 2.78Å; E382-S384 VanDerWaalsContact C-N 3.32Å; E382-S384 PolarHBondContact O-N 2.96Å; E382-S385 PolarHBondContact O-N 3.45Å; E382-Q386 WeakPolarHBondContact O-CG 3.48Å; E382-Q386 PolarHBondContact O-N 3.44Å; E382-I700 HydrophobicContact CB-CD1 4.38Å; E382-I700 HydrophobicContact CG-CD1 4.28Å
383	I	94.8	Very high	89.5	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-46.5	174.9	-70	164.9	0	0	0	110.9	I324 L363 F365 K379 L380 S385 Q386 V387 I700	I324-I383 HydrophobicContact CD1-CG2 4.25Å; I324-I383 HydrophobicContact CG1-CG2 4.36Å; L363-I383 HydrophobicContact CD1-CD1 4.05Å; L363-I383 HydrophobicContact CD1-CG1 4.37Å; L363-I383 HydrophobicContact CD1-CG2 4.41Å; L363-I383 HydrophobicContact CD2-CG1 4.42Å; L363-I383 HydrophobicContact CD2-CG2 3.75Å; F365-I383 HydrophobicContact CB-CD1 3.89Å; F365-I383 HydrophobicContact CD1-CD1 3.83Å; F365-I383 HydrophobicContact CG-CD1 3.84Å; K379-I383 WeakPolarHBondContact O-CG1 3.46Å; K379-I383 PolarHBondContact O-N 2.86Å; L380-I383 HydrophobicContact CD2-CD1 4.29Å; I383-S385 VanDerWaalsContact C-N 3.34Å; I383-S385 PolarHBondContact O-N 3.5Å; I383-Q386 PolarHBondContact O-N 2.87Å; I383-Q386 VanDerWaalsContact O-N 3.14Å; I383-V387 HydrophobicContact CG2-CG2 4.12Å; I383-V387 VanDerWaalsContact O-CG2 3.27Å; I383-V387 WeakPolarHBondContact O-CG2 3.36Å; I383-V387 PolarHBondContact O-N 2.63Å; I383-I700 HydrophobicContact CD1-CD1 4.05Å; I383-I700 HydrophobicContact CD1-CG1 4.04Å; I383-I700 HydrophobicContact CD1-CG2 4.22Å; I383-I700 HydrophobicContact CG1-CD1 3.67Å; I383-I700 HydrophobicContact CG1-CG1 4.14Å; I383-I700 HydrophobicContact CG1-CG2 4.09Å
384	S	95.3	Very high	90.5	Very high	4 Å²	4	26 Å²	26	3%	0.028	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-38.3	-176.4	-61	0	0	0	0	112.3	L380 E381 E382 Q386 V387 L388 A448	L380-S384 VanDerWaalsContact O-CB 3.26Å; L380-S384 WeakPolarHBondContact O-CB 3.49Å; L380-S384 PolarHBondContact O-N 3.15Å; L380-S384 PolarHBondContact O-OG 3.25Å; E381-S384 PolarHBondContact O-N 2.82Å; E382-S384 VanDerWaalsContact C-N 3.32Å; E382-S384 PolarHBondContact O-N 2.96Å; S384-Q386 VanDerWaalsContact C-N 3.34Å; S384-V387 PolarHBondContact O-N 2.88Å; S384-L388 WeakPolarHBondContact O-CG 3.31Å; S384-L388 PolarHBondContact O-N 2.93Å; S384-A448 WeakPolarHBondContact OG-CA 3.4Å; S384-A448 PolarHBondContact OG-N 2.93Å
385	S	92	Very high	91.6	Very high	23 Å²	23	24.1 Å²	24.1	16%	0.161	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-44.1	172.9	174.2	0	0	0	0	111.4	E381 E382 I383 L388 R389 Y414	E381-S385 PolarHBondContact O-N 2.98Å; E382-S385 PolarHBondContact O-N 3.45Å; I383-S385 VanDerWaalsContact C-N 3.34Å; I383-S385 PolarHBondContact O-N 3.5Å; S385-L388 PolarHBondContact O-N 3.4Å; S385-R389 WeakPolarHBondContact O-CB 3.24Å; S385-R389 PolarHBondContact O-N 3.49Å; S385-Y414 PolarHBondContact O-OH 3.39Å; S385-Y414 PolarHBondContact OG-OH 2.87Å
386	Q	91.3	Very high	92.1	Very high	46 Å²	46	21.5 Å²	21.5	22%	0.215	11%	0.112	C	C	.	.	H	α-helix	trans	-68.5	-37.3	178.4	-62.5	-65.1	-19.3	0	0	112.7	E382 I383 S384 R389 L390 W706	E382-Q386 WeakPolarHBondContact O-CG 3.48Å; E382-Q386 PolarHBondContact O-N 3.44Å; I383-Q386 PolarHBondContact O-N 2.87Å; I383-Q386 VanDerWaalsContact O-N 3.14Å; S384-Q386 VanDerWaalsContact C-N 3.34Å; Q386-R389 WeakPolarHBondContact O-CB 3.34Å; Q386-R389 PolarHBondContact O-N 3.48Å; Q386-L390 WeakPolarHBondContact O-CG 3.27Å; Q386-L390 PolarHBondContact O-N 3.44Å; Q386-L390 VanDerWaalsContact O-N 3.13Å; Q386-W706 HydrophobicContact CB-CZ2 3.75Å
387	V	93.5	Very high	92.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-47.9	173.5	166.5	0	0	0	0	110.8	F270 V322 I324 I383 S384 R389 L390 N391 P430	F270-V387 HydrophobicContact CZ-CG1 4.47Å; V322-V387 HydrophobicContact CG1-CG2 3.94Å; I324-V387 HydrophobicContact CD1-CG2 3.77Å; I324-V387 HydrophobicContact CG1-CG2 4.39Å; I383-V387 HydrophobicContact CG2-CG2 4.12Å; I383-V387 VanDerWaalsContact O-CG2 3.27Å; I383-V387 WeakPolarHBondContact O-CG2 3.36Å; I383-V387 PolarHBondContact O-N 2.63Å; S384-V387 PolarHBondContact O-N 2.88Å; V387-R389 VanDerWaalsContact C-N 3.3Å; V387-R389 PolarHBondContact O-N 3.3Å; V387-L390 PolarHBondContact O-N 3.31Å; V387-N391 WeakPolarHBondContact O-CB 3.48Å; V387-N391 PolarHBondContact O-N 3.1Å; V387-N391 PolarHBondContact O-OD1 2.91Å; V387-P430 HydrophobicContact CG1-CB 3.56Å; V387-P430 HydrophobicContact CG1-CG 3.74Å
388	L	92.4	Very high	91.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-32.6	178.8	-71.9	170	0	0	0	112.6	F270 S384 S385 L390 G392 W393 A451 A452	F270-L388 HydrophobicContact CD2-CD2 3.96Å; F270-L388 HydrophobicContact CE2-CD2 3.59Å; F270-L388 HydrophobicContact CZ-CD2 4.04Å; S384-L388 WeakPolarHBondContact O-CG 3.31Å; S384-L388 PolarHBondContact O-N 2.93Å; S385-L388 PolarHBondContact O-N 3.4Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-G392 VanDerWaalsContact O-CA 3.27Å; L388-G392 WeakPolarHBondContact O-CA 3.46Å; L388-G392 PolarHBondContact O-N 2.96Å; L388-W393 HydrophobicContact CD2-CE3 4.34Å; L388-A451 VanDerWaalsContact CD1-C 3.43Å; L388-A451 HydrophobicContact CD1-CB 3.42Å; L388-A451 VanDerWaalsContact CD1-CB 3.42Å; L388-A452 HydrophobicContact CD2-CB 3.98Å
389	R	90	Very high	91.3	Very high	75 Å²	75	27.7 Å²	27.7	28%	0.283	13%	0.125	S	C	.	.	H	α-helix	trans	-57.9	-46.1	170.5	179.7	174.1	76.7	159.5	5.5	111.7	S385 Q386 V387 Y414 D707	S385-R389 WeakPolarHBondContact O-CB 3.24Å; S385-R389 PolarHBondContact O-N 3.49Å; Q386-R389 WeakPolarHBondContact O-CB 3.34Å; Q386-R389 PolarHBondContact O-N 3.48Å; V387-R389 VanDerWaalsContact C-N 3.3Å; V387-R389 PolarHBondContact O-N 3.3Å; R389-Y414 HydrophobicContact CB-CD1 3.51Å; R389-Y414 HydrophobicContact CB-CE1 3.69Å; R389-Y414 HydrophobicContact CB-CG 3.99Å; R389-Y414 HydrophobicContact CG-CD1 3.58Å; R389-Y414 HydrophobicContact CG-CE1 4.22Å; R389-Y414 HydrophobicContact CG-CG 4.06Å; R389-D707 IonicContact NH2-OD1 2.63Å
390	L	90.5	Very high	90.9	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.089	13%	0.126	C	C	.	.	H	α-helix	trans	-80.5	-41.1	-174.9	-68.9	173.5	0	0	0	112.8	P320 V322 R361 Q386 V387 L388 W706	P320-L390 HydrophobicContact CG-CB 4.04Å; V322-L390 HydrophobicContact CG2-CB 4.19Å; V322-L390 HydrophobicContact CG2-CD1 3.93Å; R361-L390 HydrophobicContact CG-CD1 4.36Å; Q386-L390 WeakPolarHBondContact O-CG 3.27Å; Q386-L390 PolarHBondContact O-N 3.44Å; Q386-L390 VanDerWaalsContact O-N 3.13Å; V387-L390 PolarHBondContact O-N 3.31Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L390-W706 HydrophobicContact CD1-CH2 3.98Å; L390-W706 HydrophobicContact CD1-CZ2 3.85Å
391	N	92.9	Very high	90.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-98.3	-26.5	-172.2	-66.5	120.3	0	0	0	114.5	P320 V322 V387 Q426 R427 G428 V429	P320-N391 PolarHBondContact O-ND2 3.48Å; V322-N391 WeakPolarHBondContact CG2-OD1 3.21Å; V387-N391 WeakPolarHBondContact O-CB 3.48Å; V387-N391 PolarHBondContact O-N 3.1Å; V387-N391 PolarHBondContact O-OD1 2.91Å; N391-Q426 CarbonylContact O-C 3.58Å; N391-Q426 WeakPolarHBondContact O-CA 3.47Å; N391-Q426 VanDerWaalsContact O-CG 3.29Å; N391-Q426 WeakPolarHBondContact O-CG 3.12Å; N391-R427 CarbonylContact C-O 3.54Å; N391-R427 WeakPolarHBondContact CA-O 3.44Å; N391-R427 WeakPolarHBondContact CB-O 3.12Å; N391-R427 PolarHBondContact ND2-O 3.11Å; N391-R427 PolarHBondContact O-N 3.24Å; N391-G428 WeakPolarHBondContact ND2-CA 3.36Å; N391-V429 PolarHBondContact ND2-N 3.42Å
392	G	91.5	Very high	89.3	Confident	6 Å²	6	36 Å²	36	6%	0.062	17%	0.174	C	C	.	.			trans	61.4	-155.2	-170.3	0	0	0	0	0	112.8	L388	L388-G392 VanDerWaalsContact O-CA 3.27Å; L388-G392 WeakPolarHBondContact O-CA 3.46Å; L388-G392 PolarHBondContact O-N 2.96Å
393	W	93.8	Very high	88.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.			trans	-152.3	165.3	175.2	64.2	90.6	0	0	0	108.8	F270 L388 F411 I416 M424 Q426 C455 Q456	F270-W393 HydrophobicContact CB-CB 4.28Å; F270-W393 HydrophobicContact CD2-CB 4.15Å; L388-W393 HydrophobicContact CD2-CE3 4.34Å; W393-F411 HydrophobicContact CH2-CD1 4.2Å; W393-F411 AromaticContact CH2-CE1 3.49Å; W393-F411 HydrophobicContact CH2-CE1 3.49Å; W393-F411 VanDerWaalsContact CH2-CE1 3.49Å; W393-F411 HydrophobicContact CH2-CZ 4.25Å; W393-F411 HydrophobicContact CZ2-CE1 4.4Å; W393-F411 HydrophobicContact CZ3-CE1 4.2Å; W393-I416 HydrophobicContact CZ3-CD1 4.48Å; W393-M424 HydrophobicContact CH2-CE 4.45Å; W393-M424 CarbonylContact O-C 3.44Å; W393-M424 WeakPolarHBondContact O-CB 3.44Å; W393-Q426 PolarHBondContact O-N 3.16Å; W393-C455 HydrophobicContact CD2-CB 4.47Å; W393-C455 HydrophobicContact CE3-CB 4.24Å; W393-C455 HydrophobicContact CH2-CB 3.92Å; W393-C455 HydrophobicContact CZ2-CB 4.1Å; W393-C455 HydrophobicContact CZ3-CB 3.96Å; W393-Q456 HydrophobicContact CG-CG 4.25Å
394	F	94.5	Very high	87.7	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	136.9	177.1	-179.6	-116.5	0	0	0	111	L161 Q162 V165 L166 A268 S269 T396 M424	L161-F394 HydrophobicContact CD2-CD1 4.31Å; L161-F394 HydrophobicContact CD2-CE1 4.29Å; L161-F394 HydrophobicContact CG-CD1 4.38Å; L161-F394 HydrophobicContact CG-CE1 4.14Å; Q162-F394 HydrophobicContact CB-CB 4.1Å; Q162-F394 HydrophobicContact CB-CD1 3.99Å; Q162-F394 HydrophobicContact CB-CD2 3.84Å; Q162-F394 HydrophobicContact CB-CE1 4.39Å; Q162-F394 HydrophobicContact CB-CE2 4.25Å; Q162-F394 HydrophobicContact CB-CG 3.69Å; Q162-F394 HydrophobicContact CG-CB 4.47Å; Q162-F394 HydrophobicContact CG-CD2 3.62Å; Q162-F394 HydrophobicContact CG-CE2 3.96Å; Q162-F394 HydrophobicContact CG-CG 4.01Å; V165-F394 HydrophobicContact CB-CE1 4.39Å; V165-F394 HydrophobicContact CB-CZ 4.02Å; V165-F394 HydrophobicContact CG1-CZ 4Å; V165-F394 HydrophobicContact CG2-CE1 4.38Å; V165-F394 HydrophobicContact CG2-CZ 4.45Å; L166-F394 HydrophobicContact CD1-CE2 4.33Å; L166-F394 HydrophobicContact CG-CE2 4.34Å; A268-F394 CarbonylContact C-O 3.58Å; A268-F394 WeakPolarHBondContact CA-O 3.22Å; A268-F394 WeakPolarHBondContact CB-O 3.43Å; S269-F394 PolarHBondContact N-O 2.97Å; S269-F394 PolarHBondContact O-N 2.79Å; F394-T396 HydrophobicContact CE1-CG2 3.88Å; F394-T396 HydrophobicContact CZ-CG2 3.91Å; F394-M424 CarbonylContact C-O 3.53Å; F394-M424 WeakPolarHBondContact CA-O 3.27Å; F394-M424 WeakPolarHBondContact CD2-O 3.43Å
395	Q	92.3	Very high	86.7	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.5	166	89.1	-164	14	0	0	113.3	F267 A268 F397 M424	F267-Q395 CarbonylContact O-C 3.53Å; F267-Q395 VanDerWaalsContact O-CA 3.27Å; F267-Q395 WeakPolarHBondContact O-CA 3.29Å; A268-Q395 HydrophobicContact CB-CB 3.86Å; Q395-F397 HydrophobicContact CB-CD1 4.32Å; Q395-F397 HydrophobicContact CB-CE1 3.94Å; Q395-F397 HydrophobicContact CB-CZ 4.2Å; Q395-F397 HydrophobicContact CG-CE1 4.46Å; Q395-F397 HydrophobicContact CG-CZ 4.47Å; Q395-F397 WeakPolarHBondContact CG-O 3.39Å; Q395-F397 PolarHBondContact NE2-O 2.87Å; Q395-F397 VanDerWaalsContact NE2-O 3.08Å; Q395-M424 HydrophobicContact CG-CB 3.84Å; Q395-M424 HydrophobicContact CG-CG 4.08Å; Q395-M424 PolarHBondContact N-O 2.93Å
396	T	89.4	Confident	85.9	Confident	23 Å²	23	50.9 Å²	50.9	14%	0.141	23%	0.231	C	C	.	.	S	Bend	trans	-86.2	-9.1	-177.1	60.6	0	0	0	0	114.4	G265 F267 F394 L423	G265-T396 PolarHBondContact O-OG1 2.83Å; F267-T396 HydrophobicContact CB-CG2 4.03Å; F267-T396 PolarHBondContact N-OG1 2.93Å; F267-T396 PolarHBondContact O-N 2.83Å; F267-T396 PolarHBondContact O-OG1 2.67Å; F394-T396 HydrophobicContact CE1-CG2 3.88Å; F394-T396 HydrophobicContact CZ-CG2 3.91Å; T396-L423 VanDerWaalsContact C-CD2 3.45Å; T396-L423 WeakPolarHBondContact O-CD2 3.46Å
397	F	86.8	Confident	85.2	Confident	18 Å²	18	52.4 Å²	52.4	8%	0.079	25%	0.245	C	C	.	.	S	Bend	trans	-123.2	160	-168.4	58.4	-86.1	0	0	0	112.4	Q266 F267 A268 Q395 C459 M460	Q266-F397 VanDerWaalsContact CA-CD1 3.46Å; Q266-F397 HydrophobicContact CB-CB 4.36Å; Q266-F397 HydrophobicContact CB-CD1 3.59Å; Q266-F397 HydrophobicContact CB-CE1 4.01Å; Q266-F397 HydrophobicContact CB-CG 3.95Å; Q266-F397 HydrophobicContact CG-CB 3.9Å; Q266-F397 HydrophobicContact CG-CD1 4.04Å; Q266-F397 HydrophobicContact CG-CD2 4.43Å; Q266-F397 HydrophobicContact CG-CG 3.85Å; F267-F397 WeakPolarHBondContact O-CE1 3.3Å; A268-F397 HydrophobicContact CB-CE1 4.05Å; A268-F397 HydrophobicContact CB-CZ 4.31Å; Q395-F397 HydrophobicContact CB-CD1 4.32Å; Q395-F397 HydrophobicContact CB-CE1 3.94Å; Q395-F397 HydrophobicContact CB-CZ 4.2Å; Q395-F397 HydrophobicContact CG-CE1 4.46Å; Q395-F397 HydrophobicContact CG-CZ 4.47Å; Q395-F397 WeakPolarHBondContact CG-O 3.39Å; Q395-F397 PolarHBondContact NE2-O 2.87Å; Q395-F397 VanDerWaalsContact NE2-O 3.08Å; F397-C459 HydrophobicContact CE2-CB 4.16Å; F397-M460 HydrophobicContact CE1-CG 4.1Å; F397-M460 HydrophobicContact CE2-CB 4.34Å; F397-M460 HydrophobicContact CE2-CG 3.57Å; F397-M460 HydrophobicContact CZ-CB 4.42Å; F397-M460 HydrophobicContact CZ-CG 3.23Å; F397-M460 HydrophobicContact CZ-SD 4.24Å
398	R	81.9	Confident	84.3	Confident	171 Å²	171	52.9 Å²	52.9	65%	0.645	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-88.4	153.6	174.6	-64.5	180	177.1	156.2	-3.5	110.6	G421	R398-G421 VanDerWaalsContact NE-CA 3.33Å; R398-G421 PolarHBondContact NE-O 3.43Å; R398-G421 PolarHBondContact NH2-O 3.38Å
399	I	82.6	Confident	83.6	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.077	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.6	138.1	174.1	-69.4	-178.9	0	0	0	110.2	L403 L418 C459	I399-L403 HydrophobicContact CG2-CB 3.47Å; I399-L403 VanDerWaalsContact CG2-CB 3.47Å; I399-L403 HydrophobicContact CG2-CD1 3.94Å; I399-L403 HydrophobicContact CG2-CG 4.33Å; I399-L418 HydrophobicContact CD1-CB 3.83Å; I399-L418 HydrophobicContact CD1-CD1 3.36Å; I399-L418 HydrophobicContact CD1-CD2 3.42Å; I399-L418 VanDerWaalsContact CD1-CD2 3.42Å; I399-L418 HydrophobicContact CD1-CG 3.68Å; I399-L418 HydrophobicContact CG1-CD2 4.47Å; I399-C459 HydrophobicContact CD1-CB 4.23Å; I399-C459 VanDerWaalsContact CD1-SG 3.58Å; I399-C459 HydrophobicContact CG1-CB 3.96Å
400	P	81.6	Confident	83.1	Confident	36 Å²	36	52.4 Å²	52.4	23%	0.234	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-53.2	147.2	175.4	-29.4	35.3	0	0	0	113.8	C402 L403 R404 C459	P400-C402 VanDerWaalsContact CB-SG 3.59Å; P400-C402 PolarHBondContact O-N 3.2Å; P400-L403 PolarHBondContact O-N 3.35Å; P400-L403 VanDerWaalsContact O-N 3.1Å; P400-R404 PolarHBondContact O-N 3.4Å; P400-C459 WeakPolarHBondContact CD-O 3.42Å
401	F	79.1	Confident	82.4	Confident	149 Å²	149	51.9 Å²	51.9	65%	0.654	26%	0.258	S	S	*	.	H	α-helix	trans	-55.6	-34.8	179.9	179.6	-103	0	0	0	113.5	L403 R404 N405	F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 3.15Å; F401-R404 WeakPolarHBondContact O-CB 3.36Å; F401-R404 PolarHBondContact O-N 3Å; F401-N405 WeakPolarHBondContact CE1-ND2 3.34Å; F401-N405 WeakPolarHBondContact CZ-ND2 3.32Å; F401-N405 PolarHBondContact O-N 3.43Å; F401-N405 VanDerWaalsContact O-N 3.16Å
402	C	76.7	Confident	81.5	Confident	80 Å²	80	56.9 Å²	56.9	54%	0.541	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-38.2	178.2	47.3	0	0	0	0	113.3	P400 R406	P400-C402 VanDerWaalsContact CB-SG 3.59Å; P400-C402 PolarHBondContact O-N 3.2Å; C402-R406 PolarHBondContact O-N 2.93Å
403	L	78.8	Confident	80.5	Confident	23 Å²	23	63.1 Å²	63.1	12%	0.12	31%	0.311	C	S	.	.	H	α-helix	trans	-78.1	-26	176.2	-67.7	178.9	0	0	0	112.5	I399 P400 F401 N405 R406 P407 Y458	I399-L403 HydrophobicContact CG2-CB 3.47Å; I399-L403 VanDerWaalsContact CG2-CB 3.47Å; I399-L403 HydrophobicContact CG2-CD1 3.94Å; I399-L403 HydrophobicContact CG2-CG 4.33Å; P400-L403 PolarHBondContact O-N 3.35Å; P400-L403 VanDerWaalsContact O-N 3.1Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 3.15Å; L403-N405 VanDerWaalsContact C-N 3.3Å; L403-R406 CarbonylContact O-C 3.52Å; L403-R406 PolarHBondContact O-N 3.28Å; L403-P407 WeakPolarHBondContact O-CA 3.28Å; L403-P407 VanDerWaalsContact O-N 3.09Å; L403-Y458 HydrophobicContact CD1-CD1 4.34Å; L403-Y458 HydrophobicContact CD1-CD2 4.43Å; L403-Y458 HydrophobicContact CD1-CE1 4.06Å; L403-Y458 HydrophobicContact CD1-CE2 4.21Å; L403-Y458 WeakPolarHBondContact CD1-O 3.32Å; L403-Y458 HydrophobicContact CD2-CD2 4.44Å; L403-Y458 HydrophobicContact CD2-CE2 3.68Å
404	R	75.1	Confident	79.5	Confident	86 Å²	86	64.1 Å²	64.1	33%	0.325	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-38.7	170.7	-170.4	-176.2	-58.2	-112.7	-10.7	111.9	P400 F401 N419	P400-R404 PolarHBondContact O-N 3.4Å; F401-R404 WeakPolarHBondContact O-CB 3.36Å; F401-R404 PolarHBondContact O-N 3Å; R404-N419 WeakPolarHBondContact CG-OD1 3.26Å; R404-N419 PolarHBondContact NH1-O 3.39Å
405	N	74.8	Confident	78.1	Confident	99 Å²	99	71.3 Å²	71.3	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-82.3	-15.8	179.3	-66.4	-8.5	0	0	0	113.4	F401 L403	F401-N405 WeakPolarHBondContact CE1-ND2 3.34Å; F401-N405 WeakPolarHBondContact CZ-ND2 3.32Å; F401-N405 PolarHBondContact O-N 3.43Å; F401-N405 VanDerWaalsContact O-N 3.16Å; L403-N405 VanDerWaalsContact C-N 3.3Å
406	R	75	Confident	77.1	Confident	215 Å²	215	72.5 Å²	72.5	81%	0.811	36%	0.359	S	S	*	.	S	Bend	trans	-137.3	66.2	178	-64.1	-176.3	-174.4	174.2	1.6	109.7	C402 L403	C402-R406 PolarHBondContact O-N 2.93Å; L403-R406 CarbonylContact O-C 3.52Å; L403-R406 PolarHBondContact O-N 3.28Å
407	P	75.3	Confident	76.1	Confident	77 Å²	77	75.5 Å²	75.5	50%	0.5	38%	0.375	S	S	.	.			trans	-65.7	142.6	-179.3	28.4	-33.8	0	0	0	109.9	L403	L403-P407 WeakPolarHBondContact O-CA 3.28Å; L403-P407 VanDerWaalsContact O-N 3.09Å
408	C	76.4	Confident	75.1	Confident	12 Å²	12	76.1 Å²	76.1	8%	0.081	38%	0.378	C	S	.	.			trans	-76.2	135.7	163.1	69.4	0	0	0	0	109.1	L410 F411 Y458	C408-L410 PolarHBondContact O-N 3.43Å; C408-F411 WeakPolarHBondContact SG-CD2 3.38Å; C408-F411 WeakPolarHBondContact SG-CE2 3.4Å; C408-Y458 HydrophobicContact CB-CE2 4.26Å; C408-Y458 PolarHBondContact N-OH 2.78Å; C408-Y458 VanDerWaalsContact N-OH 3.13Å; C408-Y458 VanDerWaalsContact SG-CZ 3.51Å; C408-Y458 PolarHBondContact SG-OH 3.46Å
409	G	75.8	Confident	74.3	Confident	43 Å²	43	71.8 Å²	71.8	44%	0.443	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	6.5	179.4	0	0	0	0	0	115.4
410	L	79.4	Confident	73.3	Confident	24 Å²	24	76.8 Å²	76.8	13%	0.126	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-42	175.4	-173.9	69.3	0	0	0	111.6	C408 K413 Y414 P466 F675	C408-L410 PolarHBondContact O-N 3.43Å; L410-K413 WeakPolarHBondContact O-CB 3.3Å; L410-K413 PolarHBondContact O-N 3.16Å; L410-Y414 HydrophobicContact CD1-CE1 4.13Å; L410-Y414 HydrophobicContact CD2-CE2 4.14Å; L410-Y414 HydrophobicContact CG-CE1 4.36Å; L410-Y414 HydrophobicContact CG-CE2 4.04Å; L410-Y414 PolarHBondContact O-N 3.27Å; L410-P466 HydrophobicContact CB-CG 4.16Å; L410-P466 HydrophobicContact CD2-CB 3.99Å; L410-P466 HydrophobicContact CD2-CG 3.4Å; L410-P466 HydrophobicContact CG-CG 4.4Å; L410-F675 HydrophobicContact CD1-CE2 4.23Å; L410-F675 HydrophobicContact CD1-CZ 4.3Å
411	F	77.6	Confident	72	Confident	5 Å²	5	75.7 Å²	75.7	2%	0.022	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-26.3	-174.7	-62	-66.2	0	0	0	113.3	W393 C408 K413 Y414 N415 I416 L418 C455 Y458 P466	W393-F411 HydrophobicContact CH2-CD1 4.2Å; W393-F411 AromaticContact CH2-CE1 3.49Å; W393-F411 HydrophobicContact CH2-CE1 3.49Å; W393-F411 VanDerWaalsContact CH2-CE1 3.49Å; W393-F411 HydrophobicContact CH2-CZ 4.25Å; W393-F411 HydrophobicContact CZ2-CE1 4.4Å; W393-F411 HydrophobicContact CZ3-CE1 4.2Å; C408-F411 WeakPolarHBondContact SG-CD2 3.38Å; C408-F411 WeakPolarHBondContact SG-CE2 3.4Å; F411-K413 VanDerWaalsContact C-N 3.26Å; F411-K413 PolarHBondContact O-N 3.07Å; F411-Y414 AromaticContact CD1-CD2 3.94Å; F411-Y414 HydrophobicContact CD1-CD2 3.94Å; F411-Y414 HydrophobicContact CE1-CD2 4.29Å; F411-Y414 HydrophobicContact CE1-CE2 4.48Å; F411-Y414 CarbonylContact O-C 3.52Å; F411-Y414 WeakPolarHBondContact O-CA 3.28Å; F411-Y414 PolarHBondContact O-N 2.99Å; F411-N415 PolarHBondContact O-N 3.19Å; F411-I416 PolarHBondContact O-N 3.45Å; F411-L418 HydrophobicContact CB-CD1 3.6Å; F411-L418 HydrophobicContact CB-CG 4.38Å; F411-L418 HydrophobicContact CD1-CD1 4.05Å; F411-L418 HydrophobicContact CD2-CD1 3.41Å; F411-L418 VanDerWaalsContact CD2-CD1 3.41Å; F411-L418 HydrophobicContact CE2-CD1 4.11Å; F411-L418 HydrophobicContact CG-CD1 3.37Å; F411-L418 HydrophobicContact CG-CG 4.42Å; F411-C455 HydrophobicContact CZ-CB 4.45Å; F411-Y458 HydrophobicContact CD2-CE1 4.02Å; F411-Y458 AromaticContact CE2-CD1 3.45Å; F411-Y458 HydrophobicContact CE2-CD1 3.45Å; F411-Y458 VanDerWaalsContact CE2-CD1 3.45Å; F411-Y458 AromaticContact CE2-CE1 3.31Å; F411-Y458 HydrophobicContact CE2-CE1 3.31Å; F411-Y458 HydrophobicContact CE2-CG 4.44Å; F411-Y458 AromaticContact CZ-CD1 3.94Å; F411-Y458 HydrophobicContact CZ-CD1 3.94Å; F411-Y458 HydrophobicContact CZ-CE1 4.24Å; F411-P466 HydrophobicContact CE2-CB 4.31Å; F411-P466 HydrophobicContact CE2-CG 4.23Å; F411-P466 HydrophobicContact CZ-CB 4.03Å; F411-P466 HydrophobicContact CZ-CG 4.33Å
412	D	72.3	Confident	71	Confident	109 Å²	109	71.8 Å²	71.8	58%	0.583	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-59.3	-41.5	168.7	-58.1	-31.2	0	0	0	110.2	Y414 N415	D412-Y414 PolarHBondContact O-N 2.77Å; D412-N415 PolarHBondContact O-N 2.98Å; D412-N415 VanDerWaalsContact O-N 3.16Å; D412-N415 PolarHBondContact O-OD1 3.15Å
413	K	70.7	Confident	70.5	Confident	137 Å²	137	72.3 Å²	72.3	60%	0.596	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-66.6	-21	173.6	-63.6	178.2	-179.5	-175.2	0	113.5	L410 F411	L410-K413 WeakPolarHBondContact O-CB 3.3Å; L410-K413 PolarHBondContact O-N 3.16Å; F411-K413 VanDerWaalsContact C-N 3.26Å; F411-K413 PolarHBondContact O-N 3.07Å
414	Y	72.5	Confident	70.6	Confident	20 Å²	20	72.4 Å²	72.4	8%	0.078	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-90	-2.5	177.6	-64.6	-8.2	0	0	0	112.9	S385 R389 L410 F411 D412 I416	S385-Y414 PolarHBondContact O-OH 3.39Å; S385-Y414 PolarHBondContact OG-OH 2.87Å; R389-Y414 HydrophobicContact CB-CD1 3.51Å; R389-Y414 HydrophobicContact CB-CE1 3.69Å; R389-Y414 HydrophobicContact CB-CG 3.99Å; R389-Y414 HydrophobicContact CG-CD1 3.58Å; R389-Y414 HydrophobicContact CG-CE1 4.22Å; R389-Y414 HydrophobicContact CG-CG 4.06Å; L410-Y414 HydrophobicContact CD1-CE1 4.13Å; L410-Y414 HydrophobicContact CD2-CE2 4.14Å; L410-Y414 HydrophobicContact CG-CE1 4.36Å; L410-Y414 HydrophobicContact CG-CE2 4.04Å; L410-Y414 PolarHBondContact O-N 3.27Å; F411-Y414 AromaticContact CD1-CD2 3.94Å; F411-Y414 HydrophobicContact CD1-CD2 3.94Å; F411-Y414 HydrophobicContact CE1-CD2 4.29Å; F411-Y414 HydrophobicContact CE1-CE2 4.48Å; F411-Y414 CarbonylContact O-C 3.52Å; F411-Y414 WeakPolarHBondContact O-CA 3.28Å; F411-Y414 PolarHBondContact O-N 2.99Å; D412-Y414 PolarHBondContact O-N 2.77Å; Y414-I416 HydrophobicContact CD2-CD1 4.06Å; Y414-I416 HydrophobicContact CG-CD1 4.38Å; Y414-I416 PolarHBondContact O-N 3.43Å
415	N	67	Low	71.4	Confident	152 Å²	152	71.6 Å²	71.6	81%	0.813	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	32.4	-172.1	-62.9	-24.1	0	0	0	112.6	F411 D412	F411-N415 PolarHBondContact O-N 3.19Å; D412-N415 PolarHBondContact O-N 2.98Å; D412-N415 VanDerWaalsContact O-N 3.16Å; D412-N415 PolarHBondContact O-OD1 3.15Å
416	I	70.5	Confident	72.3	Confident	29 Å²	29	67.3 Å²	67.3	15%	0.149	36%	0.361	C	S	.	.			trans	-99	108.9	179.4	-63	172.9	0	0	0	108.5	W393 F411 Y414 L418 M424	W393-I416 HydrophobicContact CZ3-CD1 4.48Å; F411-I416 PolarHBondContact O-N 3.45Å; Y414-I416 HydrophobicContact CD2-CD1 4.06Å; Y414-I416 HydrophobicContact CG-CD1 4.38Å; Y414-I416 PolarHBondContact O-N 3.43Å; I416-L418 HydrophobicContact CG2-CD2 3.67Å; I416-L418 HydrophobicContact CG2-CG 3.92Å; I416-L418 PolarHBondContact O-N 3.45Å; I416-M424 HydrophobicContact CB-CE 4.48Å; I416-M424 HydrophobicContact CD1-CE 3.9Å; I416-M424 HydrophobicContact CG1-CE 4.31Å; I416-M424 HydrophobicContact CG2-CE 3.37Å; I416-M424 HydrophobicContact CG2-SD 3.56Å; I416-M424 VanDerWaalsContact CG2-SD 3.56Å
417	D	67.5	Low	73	Confident	86 Å²	86	64.2 Å²	64.2	46%	0.46	35%	0.349	S	S	.	.			trans	-78.2	91.9	171.9	-167.9	-17.8	0	0	0	111	N419 N420	D417-N419 PolarHBondContact O-N 3.09Å; D417-N419 WeakPolarHBondContact OD1-CA 3.47Å; D417-N419 VanDerWaalsContact OD1-CB 3.31Å; D417-N419 WeakPolarHBondContact OD1-CB 3.33Å; D417-N419 PolarHBondContact OD1-N 3.41Å; D417-N420 VanDerWaalsContact CG-CG 3.47Å; D417-N420 PolarHBondContact OD1-N 3.23Å; D417-N420 PolarHBondContact OD2-ND2 3.4Å; D417-N420 PolarHBondContact OD2-OD1 3.14Å
418	L	67.1	Low	73.9	Confident	30 Å²	30	60.6 Å²	60.6	16%	0.157	33%	0.326	C	S	.	.			trans	-71.1	-15	175.7	-73.1	177.1	0	0	0	113.8	I399 F411 I416 M424	I399-L418 HydrophobicContact CD1-CB 3.83Å; I399-L418 HydrophobicContact CD1-CD1 3.36Å; I399-L418 HydrophobicContact CD1-CD2 3.42Å; I399-L418 VanDerWaalsContact CD1-CD2 3.42Å; I399-L418 HydrophobicContact CD1-CG 3.68Å; I399-L418 HydrophobicContact CG1-CD2 4.47Å; F411-L418 HydrophobicContact CB-CD1 3.6Å; F411-L418 HydrophobicContact CB-CG 4.38Å; F411-L418 HydrophobicContact CD1-CD1 4.05Å; F411-L418 HydrophobicContact CD2-CD1 3.41Å; F411-L418 VanDerWaalsContact CD2-CD1 3.41Å; F411-L418 HydrophobicContact CE2-CD1 4.11Å; F411-L418 HydrophobicContact CG-CD1 3.37Å; F411-L418 HydrophobicContact CG-CG 4.42Å; I416-L418 HydrophobicContact CG2-CD2 3.67Å; I416-L418 HydrophobicContact CG2-CG 3.92Å; I416-L418 PolarHBondContact O-N 3.45Å; L418-M424 HydrophobicContact CD2-CG 4.46Å; L418-M424 HydrophobicContact CD2-SD 4.01Å
419	N	64.5	Low	74.9	Confident	80 Å²	80	60 Å²	60	43%	0.428	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-29.3	-172.2	-66.9	-25.7	0	0	0	112.7	R404 D417 G421	R404-N419 WeakPolarHBondContact CG-OD1 3.26Å; R404-N419 PolarHBondContact NH1-O 3.39Å; D417-N419 PolarHBondContact O-N 3.09Å; D417-N419 WeakPolarHBondContact OD1-CA 3.47Å; D417-N419 VanDerWaalsContact OD1-CB 3.31Å; D417-N419 WeakPolarHBondContact OD1-CB 3.33Å; D417-N419 PolarHBondContact OD1-N 3.41Å; N419-G421 PolarHBondContact O-N 3.43Å
420	N	61.7	Low	76	Confident	120 Å²	120	58 Å²	58	64%	0.642	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-7.3	-177.7	-72.7	-18.2	0	0	0	114.6	D417 A422	D417-N420 VanDerWaalsContact CG-CG 3.47Å; D417-N420 PolarHBondContact OD1-N 3.23Å; D417-N420 PolarHBondContact OD2-ND2 3.4Å; D417-N420 PolarHBondContact OD2-OD1 3.14Å; N420-A422 PolarHBondContact O-N 2.95Å; N420-A422 VanDerWaalsContact O-N 3.1Å
421	G	54.9	Low	76.9	Confident	14 Å²	14	57 Å²	57	14%	0.144	30%	0.296	C	S	.	.			trans	65.1	15.5	178	0	0	0	0	0	113.2	R398 N419	R398-G421 VanDerWaalsContact NE-CA 3.33Å; R398-G421 PolarHBondContact NE-O 3.43Å; R398-G421 PolarHBondContact NH2-O 3.38Å; N419-G421 PolarHBondContact O-N 3.43Å
422	A	56.7	Low	77.8	Confident	67 Å²	67	56.9 Å²	56.9	55%	0.554	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-68.2	145.2	168.6	0	0	0	0	0	109.4	N420	N420-A422 PolarHBondContact O-N 2.95Å; N420-A422 VanDerWaalsContact O-N 3.1Å
423	L	66	Low	79	Confident	90 Å²	90	51.7 Å²	51.7	47%	0.471	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-61.4	137.4	167.9	-65.1	169	0	0	0	108.3	T396 I425	T396-L423 VanDerWaalsContact C-CD2 3.45Å; T396-L423 WeakPolarHBondContact O-CD2 3.46Å; L423-I425 PolarHBondContact O-N 2.9Å
424	M	82.6	Confident	79.9	Confident	25 Å²	25	45.2 Å²	45.2	12%	0.123	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-77.3	124.7	168.5	-65.9	-66	-64.3	0	0	107.7	W393 F394 Q395 I416 L418	W393-M424 HydrophobicContact CH2-CE 4.45Å; W393-M424 CarbonylContact O-C 3.44Å; W393-M424 WeakPolarHBondContact O-CB 3.44Å; F394-M424 CarbonylContact C-O 3.53Å; F394-M424 WeakPolarHBondContact CA-O 3.27Å; F394-M424 WeakPolarHBondContact CD2-O 3.43Å; Q395-M424 HydrophobicContact CG-CB 3.84Å; Q395-M424 HydrophobicContact CG-CG 4.08Å; Q395-M424 PolarHBondContact N-O 2.93Å; I416-M424 HydrophobicContact CB-CE 4.48Å; I416-M424 HydrophobicContact CD1-CE 3.9Å; I416-M424 HydrophobicContact CG1-CE 4.31Å; I416-M424 HydrophobicContact CG2-CE 3.37Å; I416-M424 HydrophobicContact CG2-SD 3.56Å; I416-M424 VanDerWaalsContact CG2-SD 3.56Å; L418-M424 HydrophobicContact CD2-CG 4.46Å; L418-M424 HydrophobicContact CD2-SD 4.01Å
425	I	90.6	Very high	80.7	Confident	69 Å²	69	44.6 Å²	44.6	35%	0.354	24%	0.238	S	C	.	.			trans	-114.5	130.2	176.2	-61.9	177.8	0	0	0	106.1	L166 L423 R427	L166-I425 HydrophobicContact CD1-CD1 4.13Å; L166-I425 HydrophobicContact CD1-CG1 4.39Å; L423-I425 PolarHBondContact O-N 2.9Å; I425-R427 PolarHBondContact O-N 3.3Å
426	Q	93.6	Very high	81.3	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.047	21%	0.205	C	C	.	.			trans	-70.2	122	171.5	-169.6	177.8	-47.2	0	0	108.5	Q162 V271 N391 W393 G428	Q162-Q426 PolarHBondContact NE2-O 2.96Å; Q162-Q426 VanDerWaalsContact NE2-O 3.14Å; V271-Q426 PolarHBondContact O-NE2 3.38Å; N391-Q426 CarbonylContact O-C 3.58Å; N391-Q426 WeakPolarHBondContact O-CA 3.47Å; N391-Q426 VanDerWaalsContact O-CG 3.29Å; N391-Q426 WeakPolarHBondContact O-CG 3.12Å; W393-Q426 PolarHBondContact O-N 3.16Å; Q426-G428 PolarHBondContact NE2-O 3.43Å
427	R	90.8	Very high	82	Confident	149 Å²	149	37 Å²	37	56%	0.562	20%	0.198	S	C	*	.			trans	-105.1	125.3	175.7	-66.4	-175.4	177.5	-170.4	-2.6	109	H319 N391 I425	H319-R427 CarbonylContact O-C 3.58Å; N391-R427 CarbonylContact C-O 3.54Å; N391-R427 WeakPolarHBondContact CA-O 3.44Å; N391-R427 WeakPolarHBondContact CB-O 3.12Å; N391-R427 PolarHBondContact ND2-O 3.11Å; N391-R427 PolarHBondContact O-N 3.24Å; I425-R427 PolarHBondContact O-N 3.3Å
428	G	94.4	Very high	83	Confident	2 Å²	2	33.1 Å²	33.1	2%	0.021	18%	0.177	C	C	.	.	S	Bend	trans	69.6	-171.9	-175	0	0	0	0	0	113.7	Y317 H319 P320 N391 Q426	Y317-G428 WeakPolarHBondContact O-CA 3.29Å; Y317-G428 PolarHBondContact O-N 2.84Å; H319-G428 PolarHBondContact O-N 2.88Å; P320-G428 WeakPolarHBondContact O-CA 3.27Å; N391-G428 WeakPolarHBondContact ND2-CA 3.36Å; Q426-G428 PolarHBondContact NE2-O 3.43Å
429	V	97.4	Very high	83.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	140.3	-176.3	68.3	0	0	0	0	112.3	V271 L273 Y317 P320 V322 N391	V271-V429 HydrophobicContact CG1-CG2 4.46Å; L273-V429 HydrophobicContact CB-CG2 4.39Å; L273-V429 HydrophobicContact CD1-CB 4.44Å; L273-V429 HydrophobicContact CD1-CG1 3.63Å; L273-V429 HydrophobicContact CD1-CG2 3.97Å; L273-V429 HydrophobicContact CG-CG1 4.35Å; L273-V429 HydrophobicContact CG-CG2 3.75Å; Y317-V429 HydrophobicContact CD1-CB 4.15Å; Y317-V429 HydrophobicContact CD1-CG1 4.44Å; Y317-V429 HydrophobicContact CD1-CG2 4.31Å; Y317-V429 HydrophobicContact CD2-CB 4.23Å; Y317-V429 HydrophobicContact CD2-CG1 3.63Å; Y317-V429 HydrophobicContact CE2-CG1 4.41Å; Y317-V429 HydrophobicContact CG-CB 3.78Å; Y317-V429 HydrophobicContact CG-CG1 3.66Å; Y317-V429 HydrophobicContact CG-CG2 4.33Å; P320-V429 PolarHBondContact O-N 3.18Å; V322-V429 PolarHBondContact N-O 2.79Å; N391-V429 PolarHBondContact ND2-N 3.42Å
430	P	98	Very high	85.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	126.6	165.2	27.4	-31	0	0	0	110.8	F270 Q272 L273 V322 I324 V387	F270-P430 HydrophobicContact CE2-CG 4.45Å; F270-P430 HydrophobicContact CZ-CG 3.88Å; Q272-P430 HydrophobicContact CB-CG 3.71Å; L273-P430 PolarHBondContact N-O 3.49Å; V322-P430 CarbonylContact O-C 3.34Å; V322-P430 WeakPolarHBondContact O-CA 3.49Å; I324-P430 HydrophobicContact CD1-CB 4.04Å; V387-P430 HydrophobicContact CG1-CB 3.56Å; V387-P430 HydrophobicContact CG1-CG 3.74Å
431	R	97.5	Very high	86.9	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108	175.7	176.2	-101.2	179.8	116.7	5	109.1	L273 S276 P278 H309 L313 I321 V322 V323 I324	L273-R431 HydrophobicContact CB-CB 4.36Å; S276-R431 PolarHBondContact O-NH2 3.49Å; P278-R431 VanDerWaalsContact CG-NH2 3.26Å; H309-R431 PolarHBondContact CD2-NH1 2.89Å; H309-R431 VanDerWaalsContact NE2-CZ 3.27Å; H309-R431 PolarHBondContact NE2-NH1 3.48Å; H309-R431 VanDerWaalsContact NE2-NH1 3.16Å; H309-R431 PolarHBondContact NE2-NH2 3.45Å; L313-R431 HydrophobicContact CD1-CG 4.43Å; I321-R431 HydrophobicContact CG2-CB 4.49Å; V322-R431 PolarHBondContact O-N 3.47Å; V323-R431 WeakPolarHBondContact CA-O 3.26Å; I324-R431 PolarHBondContact N-O 3.25Å
432	T	97.8	Very high	88.8	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.3	178.8	59.3	0	0	0	0	111	L273 R274 G275 I324 Q445	L273-T432 PolarHBondContact O-N 2.86Å; L273-T432 PolarHBondContact O-OG1 2.88Å; R274-T432 VanDerWaalsContact CA-O 3.25Å; R274-T432 WeakPolarHBondContact CA-O 3.33Å; R274-T432 WeakPolarHBondContact CB-OG1 3.4Å; G275-T432 PolarHBondContact N-O 3.46Å; I324-T432 HydrophobicContact CB-CG2 3.9Å; I324-T432 HydrophobicContact CD1-CG2 3.7Å; I324-T432 HydrophobicContact CG1-CG2 4.36Å; I324-T432 HydrophobicContact CG2-CG2 4.16Å; T432-Q445 HydrophobicContact CG2-CG 4.32Å
433	N	96.3	Very high	90.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154.8	173.6	70.9	-81.5	0	0	0	111.2	G275 V277 I324 N325 L326	G275-N433 WeakPolarHBondContact O-CB 3.43Å; V277-N433 VanDerWaalsContact CG2-ND2 3.29Å; V277-N433 WeakPolarHBondContact CG2-ND2 3.47Å; I324-N433 PolarHBondContact O-N 3.43Å; I324-N433 PolarHBondContact O-OD1 3.5Å; N325-N433 WeakPolarHBondContact CA-OD1 3.11Å; N325-N433 PolarHBondContact OD1-ND2 3.29Å; L326-N433 WeakPolarHBondContact CB-O 3.42Å; L326-N433 PolarHBondContact N-O 3.03Å
434	C	91	Very high	92.1	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	8%	0.075	C	C	.	.			trans	-145.3	-164.8	160.7	71	0	0	0	0	107.9	L326 D436 C437 R440 T441	L326-C434 HydrophobicContact CB-CB 4.07Å; C434-D436 VanDerWaalsContact C-N 3.34Å; C434-D436 PolarHBondContact O-N 3.03Å; C434-C437 PolarHBondContact N-SG 2.82Å; C434-C437 PolarHBondContact O-SG 3.45Å; C434-C437 WeakPolarHBondContact SG-CA 3.43Å; C434-C437 PolarHBondContact SG-N 2.9Å; C434-R440 HydrophobicContact CB-CB 4.32Å; C434-T441 HydrophobicContact CB-CG2 4.22Å
435	V	89.1	Confident	92.9	Very high	7 Å²	7	15.2 Å²	15.2	4%	0.042	7%	0.069	C	C	.	.	S	Bend	trans	-67.6	-33.3	-180	80.8	0	0	0	0	113	R236 W281 I294 E336 L339	R236-V435 PolarHBondContact NH1-O 2.96Å; W281-V435 HydrophobicContact CH2-CG2 3.74Å; W281-V435 WeakPolarHBondContact CH2-O 3.45Å; W281-V435 HydrophobicContact CZ3-CG2 4.15Å; I294-V435 HydrophobicContact CD1-CG2 3.74Å; E336-V435 HydrophobicContact CG-CB 4.13Å; E336-V435 HydrophobicContact CG-CG1 4.48Å; E336-V435 HydrophobicContact CG-CG2 4.13Å; L339-V435 HydrophobicContact CD1-CG2 4.08Å
436	D	79.7	Confident	93.2	Very high	21 Å²	21	11.9 Å²	11.9	11%	0.112	5%	0.052	C	C	.	.	S	Bend	trans	-116.3	-16.6	-176.9	-56.9	-53.5	0	0	0	113.5	R232 R236 C434 L438 Y493	R232-D436 IonicContact CZ-OD1 3.81Å; R232-D436 IonicContact CZ-OD2 3.79Å; R232-D436 IonicContact NE-OD1 2.82Å; R232-D436 PolarHBondContact NE-OD1 3.11Å; R232-D436 IonicContact NE-OD2 3.46Å; R232-D436 IonicContact NH2-OD1 3.92Å; R232-D436 PolarHBondContact NH2-OD1 3.23Å; R232-D436 IonicContact NH2-OD2 3.44Å; R232-D436 PolarHBondContact NH2-OD2 3.48Å; R236-D436 IonicContact CZ-OD1 2.67Å; R236-D436 IonicContact NH1-OD1 2.71Å; R236-D436 PolarHBondContact NH1-OD1 3.08Å; R236-D436 IonicContact NH2-OD1 2.55Å; R236-D436 PolarHBondContact NH2-OD1 3.29Å; C434-D436 VanDerWaalsContact C-N 3.34Å; C434-D436 PolarHBondContact O-N 3.03Å; D436-L438 HydrophobicContact CB-CB 4.49Å; D436-L438 HydrophobicContact CB-CD1 4.46Å; D436-L438 HydrophobicContact CB-CG 4.3Å; D436-L438 PolarHBondContact O-N 3.17Å; D436-Y493 VanDerWaalsContact O-CE1 3.28Å; D436-Y493 WeakPolarHBondContact O-CE1 3.4Å
437	C	84.3	Confident	93.4	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	5%	0.05	C	C	.	.	S	Bend	trans	51.9	38.6	-172.5	-57.6	0	0	0	0	114.5	G275 C434 T441	G275-C437 PolarHBondContact O-SG 2.89Å; C434-C437 PolarHBondContact N-SG 2.82Å; C434-C437 PolarHBondContact O-SG 3.45Å; C434-C437 WeakPolarHBondContact SG-CA 3.43Å; C434-C437 PolarHBondContact SG-N 2.9Å; C437-T441 VanDerWaalsContact CA-OG1 3.23Å; C437-T441 WeakPolarHBondContact CA-OG1 3.47Å; C437-T441 HydrophobicContact CB-CG2 4.21Å; C437-T441 PolarHBondContact O-OG1 3.09Å; C437-T441 VanDerWaalsContact O-OG1 3.05Å
438	L	88.3	Confident	93.7	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.021	3%	0.025	C	C	.	.	S	Bend	trans	-110.5	-92.7	175.2	-63.6	179.5	0	0	0	111.8	D436 T441 N442 A490 Y493 A494 L498	D436-L438 HydrophobicContact CB-CB 4.49Å; D436-L438 HydrophobicContact CB-CD1 4.46Å; D436-L438 HydrophobicContact CB-CG 4.3Å; D436-L438 PolarHBondContact O-N 3.17Å; L438-T441 PolarHBondContact N-OG1 3.46Å; L438-T441 PolarHBondContact O-OG1 3.47Å; L438-T441 VanDerWaalsContact O-OG1 3.08Å; L438-N442 VanDerWaalsContact O-CB 3.31Å; L438-N442 WeakPolarHBondContact O-CB 3.44Å; L438-N442 PolarHBondContact O-N 2.77Å; L438-A490 HydrophobicContact CD2-CB 4.11Å; L438-Y493 HydrophobicContact CD1-CD1 4.2Å; L438-Y493 HydrophobicContact CD2-CD1 3.93Å; L438-Y493 HydrophobicContact CG-CD1 4.11Å; L438-A494 HydrophobicContact CD1-CB 3.83Å; L438-L498 HydrophobicContact CB-CD2 4.29Å
439	D	87.4	Confident	93.9	Very high	21 Å²	21	4.5 Å²	4.5	11%	0.112	2%	0.024	C	C	.	.	H	α-helix	trans	-65.9	-53.4	-165.8	-51.6	-68.7	0	0	0	112.5	N442 V443 L498 V499 H500 R524	D439-N442 PolarHBondContact O-N 2.9Å; D439-V443 WeakPolarHBondContact O-CG2 3.45Å; D439-V443 PolarHBondContact O-N 3.36Å; D439-L498 WeakPolarHBondContact OD1-CD2 3.22Å; D439-V499 PolarHBondContact OD1-N 2.76Å; D439-H500 HydrophobicContact CB-CB 4.27Å; D439-H500 PolarHBondContact OD1-N 2.93Å; D439-H500 VanDerWaalsContact OD1-N 3.15Å; D439-R524 IonicContact OD1-NH1 2.72Å; D439-R524 IonicContact OD1-NH2 3.81Å; D439-R524 PolarHBondContact OD1-NH2 3.33Å; D439-R524 IonicContact OD2-CZ 2.79Å; D439-R524 IonicContact OD2-NH1 2.69Å; D439-R524 PolarHBondContact OD2-NH1 3.26Å; D439-R524 VanDerWaalsContact OD2-NH1 3.07Å; D439-R524 IonicContact OD2-NH2 3.73Å
440	R	92.9	Very high	93.9	Very high	21 Å²	21	4.7 Å²	4.7	8%	0.079	3%	0.025	C	C	.	.	H	α-helix	trans	-64.1	-44.2	-178.6	-74.4	176.3	-80.3	-176.2	-11	113.2	L326 E336 M367 C434 N442 V443 A444 Y505	L326-R440 HydrophobicContact CD1-CB 4.19Å; L326-R440 PolarHBondContact O-NH1 3.36Å; E336-R440 IonicContact OE1-NH2 3.92Å; E336-R440 IonicContact OE2-CZ 3.14Å; E336-R440 VanDerWaalsContact OE2-CZ 3.3Å; E336-R440 IonicContact OE2-NH1 2.72Å; E336-R440 PolarHBondContact OE2-NH1 3.41Å; E336-R440 IonicContact OE2-NH2 3.46Å; E336-R440 PolarHBondContact OE2-NH2 3.43Å; M367-R440 HydrophobicContact SD-CB 4Å; M367-R440 HydrophobicContact SD-CG 4.08Å; C434-R440 HydrophobicContact CB-CB 4.32Å; R440-N442 VanDerWaalsContact C-N 3.34Å; R440-V443 PolarHBondContact O-N 3.46Å; R440-A444 PolarHBondContact O-N 2.97Å; R440-A444 VanDerWaalsContact O-N 3.09Å; R440-Y505 WeakPolarHBondContact CG-OH 3.32Å
441	T	95.2	Very high	93.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-67.2	-36.2	-179.8	41.3	0	0	0	0	111.4	L326 C434 C437 L438 V443 A444 Q445	L326-T441 HydrophobicContact CD1-CG2 4.35Å; C434-T441 HydrophobicContact CB-CG2 4.22Å; C437-T441 VanDerWaalsContact CA-OG1 3.23Å; C437-T441 WeakPolarHBondContact CA-OG1 3.47Å; C437-T441 HydrophobicContact CB-CG2 4.21Å; C437-T441 PolarHBondContact O-OG1 3.09Å; C437-T441 VanDerWaalsContact O-OG1 3.05Å; L438-T441 PolarHBondContact N-OG1 3.46Å; L438-T441 PolarHBondContact O-OG1 3.47Å; L438-T441 VanDerWaalsContact O-OG1 3.08Å; T441-V443 VanDerWaalsContact C-N 3.34Å; T441-V443 PolarHBondContact O-N 2.8Å; T441-A444 PolarHBondContact O-N 3.22Å; T441-Q445 WeakPolarHBondContact O-CB 3.24Å; T441-Q445 VanDerWaalsContact O-CG 3.24Å; T441-Q445 WeakPolarHBondContact O-CG 3.33Å; T441-Q445 PolarHBondContact O-N 2.9Å
442	N	96.1	Very high	93.8	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-61.9	-43	177.4	-161.7	61.4	0	0	0	112.1	R274 L438 D439 R440 Q445 F446 Y482 H485 G486 L498	R274-N442 PolarHBondContact NH1-OD1 3.39Å; R274-N442 VanDerWaalsContact NH1-OD1 3.16Å; L438-N442 VanDerWaalsContact O-CB 3.31Å; L438-N442 WeakPolarHBondContact O-CB 3.44Å; L438-N442 PolarHBondContact O-N 2.77Å; D439-N442 PolarHBondContact O-N 2.9Å; R440-N442 VanDerWaalsContact C-N 3.34Å; N442-Q445 PolarHBondContact O-N 3.32Å; N442-F446 WeakPolarHBondContact O-CB 3.41Å; N442-F446 PolarHBondContact O-N 2.76Å; N442-Y482 PolarHBondContact ND2-O 3.04Å; N442-Y482 PolarHBondContact OD1-O 3.29Å; N442-H485 PolarHBondContact OD1-ND1 3.01Å; N442-H485 VanDerWaalsContact OD1-ND1 3.13Å; N442-G486 WeakPolarHBondContact OD1-CA 3.2Å; N442-L498 HydrophobicContact CB-CD1 4.34Å
443	V	95.2	Very high	93.8	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.006	3%	0.032	C	C	.	.	H	α-helix	trans	-67.4	-44.6	178.1	-179.3	0	0	0	0	111.1	M367 L377 L380 D439 R440 T441 Q445 F446 V447 I502 Y505	M367-V443 HydrophobicContact CE-CB 3.65Å; M367-V443 HydrophobicContact CE-CG1 3.45Å; M367-V443 VanDerWaalsContact CE-CG1 3.45Å; M367-V443 HydrophobicContact CE-CG2 4.32Å; L377-V443 HydrophobicContact CD2-CG1 4Å; L380-V443 HydrophobicContact CD1-CG1 4.2Å; D439-V443 WeakPolarHBondContact O-CG2 3.45Å; D439-V443 PolarHBondContact O-N 3.36Å; R440-V443 PolarHBondContact O-N 3.46Å; T441-V443 VanDerWaalsContact C-N 3.34Å; T441-V443 PolarHBondContact O-N 2.8Å; V443-Q445 VanDerWaalsContact C-N 3.32Å; V443-Q445 PolarHBondContact O-N 2.86Å; V443-F446 WeakPolarHBondContact O-CB 3.34Å; V443-F446 PolarHBondContact O-N 2.84Å; V443-V447 WeakPolarHBondContact O-CG2 3.45Å; V443-V447 PolarHBondContact O-N 2.48Å; V443-I502 HydrophobicContact CG2-CG1 4.16Å; V443-Y505 HydrophobicContact CB-CD2 4.46Å; V443-Y505 HydrophobicContact CG1-CG 4.22Å; V443-Y505 HydrophobicContact CG2-CD2 3.39Å; V443-Y505 HydrophobicContact CG2-CE2 3.68Å; V443-Y505 HydrophobicContact CG2-CG 3.9Å
444	A	96.8	Very high	93.7	Very high	5 Å²	5	5.5 Å²	5.5	4%	0.041	3%	0.032	C	C	.	.	H	α-helix	trans	-60.5	-42.5	176.6	0	0	0	0	0	111.9	L326 L380 R440 T441 V447 A448	L326-A444 HydrophobicContact CD1-CB 3.62Å; L380-A444 HydrophobicContact CD2-CB 3.91Å; R440-A444 PolarHBondContact O-N 2.97Å; R440-A444 VanDerWaalsContact O-N 3.09Å; T441-A444 PolarHBondContact O-N 3.22Å; A444-V447 PolarHBondContact O-N 2.55Å; A444-A448 PolarHBondContact O-N 2.82Å
445	Q	97.6	Very high	93.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.4	-36.1	176.2	-73.2	-175.1	-54.6	0	0	112.8	T250 Q272 T432 T441 N442 V443 G449 Y482	T250-Q445 PolarHBondContact OG1-NE2 2.84Å; Q272-Q445 HydrophobicContact CG-CG 4.39Å; Q272-Q445 PolarHBondContact NE2-O 3.34Å; Q272-Q445 PolarHBondContact OE1-O 3.46Å; T432-Q445 HydrophobicContact CG2-CG 4.32Å; T441-Q445 WeakPolarHBondContact O-CB 3.24Å; T441-Q445 VanDerWaalsContact O-CG 3.24Å; T441-Q445 WeakPolarHBondContact O-CG 3.33Å; T441-Q445 PolarHBondContact O-N 2.9Å; N442-Q445 PolarHBondContact O-N 3.32Å; V443-Q445 VanDerWaalsContact C-N 3.32Å; V443-Q445 PolarHBondContact O-N 2.86Å; Q445-G449 PolarHBondContact O-N 3.05Å; Q445-Y482 HydrophobicContact CB-CE1 4.04Å
446	F	97.5	Very high	94.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.2	-46.9	171.9	158.8	-107.3	0	0	0	111.4	N442 V443 A448 G449 K450 F470 L478 E479 Y482 I502	N442-F446 WeakPolarHBondContact O-CB 3.41Å; N442-F446 PolarHBondContact O-N 2.76Å; V443-F446 WeakPolarHBondContact O-CB 3.34Å; V443-F446 PolarHBondContact O-N 2.84Å; F446-A448 VanDerWaalsContact C-N 3.35Å; F446-A448 PolarHBondContact O-N 2.89Å; F446-G449 CarbonylContact O-C 3.6Å; F446-G449 PolarHBondContact O-N 2.92Å; F446-K450 WeakPolarHBondContact O-CB 3.16Å; F446-K450 PolarHBondContact O-N 3.16Å; F446-F470 HydrophobicContact CE1-CD1 4.26Å; F446-F470 AromaticContact CE1-CE1 3.96Å; F446-F470 HydrophobicContact CE1-CE1 3.96Å; F446-F470 HydrophobicContact CZ-CD1 4.48Å; F446-L478 HydrophobicContact CD2-CD2 4.33Å; F446-L478 HydrophobicContact CD2-CG 4.21Å; F446-L478 HydrophobicContact CE2-CB 4.29Å; F446-L478 HydrophobicContact CE2-CD2 4.18Å; F446-L478 HydrophobicContact CE2-CG 4.16Å; F446-E479 HydrophobicContact CD2-CB 4.45Å; F446-E479 VanDerWaalsContact CE2-CA 3.49Å; F446-E479 HydrophobicContact CE2-CB 3.7Å; F446-E479 HydrophobicContact CZ-CB 3.91Å; F446-E479 HydrophobicContact CZ-CG 4.5Å; F446-Y482 HydrophobicContact CB-CD1 3.97Å; F446-Y482 HydrophobicContact CB-CD2 4.26Å; F446-Y482 HydrophobicContact CB-CG 3.78Å; F446-Y482 AromaticContact CD2-CD2 3.97Å; F446-Y482 HydrophobicContact CD2-CD2 3.97Å; F446-Y482 HydrophobicContact CD2-CG 4.17Å; F446-Y482 HydrophobicContact CG-CG 4.48Å; F446-I502 HydrophobicContact CB-CD1 3.75Å; F446-I502 HydrophobicContact CB-CG1 4.47Å; F446-I502 HydrophobicContact CD1-CD1 4.04Å; F446-I502 HydrophobicContact CD1-CG1 4.36Å; F446-I502 HydrophobicContact CD1-CG2 3.73Å; F446-I502 HydrophobicContact CD2-CD1 4.05Å; F446-I502 HydrophobicContact CE1-CG2 3.67Å; F446-I502 HydrophobicContact CG-CD1 3.66Å; F446-I502 HydrophobicContact CG-CG1 4.42Å; F446-I502 HydrophobicContact CG-CG2 4.45Å; F446-I502 HydrophobicContact CZ-CG2 4.34Å
447	V	97.4	Very high	94.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.1	-39.2	180	-178	0	0	0	0	111.1	L377 L380 E381 V443 A444 K450 A451 F470	L377-V447 HydrophobicContact CD2-CG2 4.16Å; L380-V447 HydrophobicContact CB-CB 4.02Å; L380-V447 HydrophobicContact CB-CG1 3.82Å; L380-V447 HydrophobicContact CB-CG2 4.07Å; L380-V447 HydrophobicContact CD1-CG2 4.24Å; E381-V447 HydrophobicContact CB-CG1 4.42Å; E381-V447 HydrophobicContact CG-CG1 3.78Å; V443-V447 WeakPolarHBondContact O-CG2 3.45Å; V443-V447 PolarHBondContact O-N 2.48Å; A444-V447 PolarHBondContact O-N 2.55Å; V447-K450 WeakPolarHBondContact O-CB 3.29Å; V447-K450 PolarHBondContact O-N 3.3Å; V447-A451 PolarHBondContact O-N 3.14Å; V447-F470 HydrophobicContact CG2-CE1 4.31Å; V447-F470 HydrophobicContact CG2-CZ 4.39Å
448	A	97.8	Very high	95	Very high	5 Å²	5	4.3 Å²	4.3	4%	0.041	3%	0.026	C	C	.	.	H	α-helix	trans	-62.1	-45.3	172.1	0	0	0	0	0	111.7	F270 S384 A444 F446 K450 A451 A452	F270-A448 HydrophobicContact CE1-CB 4.22Å; S384-A448 WeakPolarHBondContact OG-CA 3.4Å; S384-A448 PolarHBondContact OG-N 2.93Å; A444-A448 PolarHBondContact O-N 2.82Å; F446-A448 VanDerWaalsContact C-N 3.35Å; F446-A448 PolarHBondContact O-N 2.89Å; A448-K450 VanDerWaalsContact C-N 3.33Å; A448-K450 PolarHBondContact O-N 3.19Å; A448-A451 PolarHBondContact O-N 3.04Å; A448-A452 WeakPolarHBondContact O-CB 3.25Å; A448-A452 PolarHBondContact O-N 2.95Å
449	G	97.9	Very high	95.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.3	-36.4	175.2	0	0	0	0	0	113.3	Q252 Q445 F446 A452 L453	Q252-G449 PolarHBondContact NE2-O 2.62Å; Q252-G449 VanDerWaalsContact OE1-CA 3.23Å; Q252-G449 PolarHBondContact OE1-O 3.01Å; Q445-G449 PolarHBondContact O-N 3.05Å; F446-G449 CarbonylContact O-C 3.6Å; F446-G449 PolarHBondContact O-N 2.92Å; G449-A452 PolarHBondContact O-N 2.63Å; G449-L453 VanDerWaalsContact O-CB 3.27Å; G449-L453 WeakPolarHBondContact O-CB 3.37Å; G449-L453 PolarHBondContact O-N 3.29Å
450	K	97.7	Very high	95.2	Very high	4 Å²	4	3.3 Å²	3.3	2%	0.017	2%	0.02	C	C	.	.	H	α-helix	trans	-63.3	-47.1	174.6	172.4	-170.8	171.9	-75.4	0	111.2	E381 F446 V447 A448 L453 A454 L468 F470 L478	E381-K450 IonicContact OE1-NZ 2.79Å; E381-K450 PolarHBondContact OE1-NZ 3.16Å; F446-K450 WeakPolarHBondContact O-CB 3.16Å; F446-K450 PolarHBondContact O-N 3.16Å; V447-K450 WeakPolarHBondContact O-CB 3.29Å; V447-K450 PolarHBondContact O-N 3.3Å; A448-K450 VanDerWaalsContact C-N 3.33Å; A448-K450 PolarHBondContact O-N 3.19Å; K450-L453 PolarHBondContact O-N 3.18Å; K450-A454 PolarHBondContact O-N 3.45Å; K450-L468 WeakPolarHBondContact CE-O 3.18Å; K450-L468 PolarHBondContact NZ-O 3.23Å; K450-F470 HydrophobicContact CD-CD1 3.97Å; K450-F470 HydrophobicContact CD-CE1 3.69Å; K450-F470 HydrophobicContact CD-CZ 4.24Å; K450-L478 HydrophobicContact CB-CD2 3.86Å
451	A	96.8	Very high	95	Very high	21 Å²	21	3.9 Å²	3.9	17%	0.174	3%	0.033	C	C	.	.	H	α-helix	trans	-64.1	-43.2	176.6	0	0	0	0	0	110.8	L388 V447 A448 L453 A454 C455	L388-A451 VanDerWaalsContact CD1-C 3.43Å; L388-A451 HydrophobicContact CD1-CB 3.42Å; L388-A451 VanDerWaalsContact CD1-CB 3.42Å; V447-A451 PolarHBondContact O-N 3.14Å; A448-A451 PolarHBondContact O-N 3.04Å; A451-L453 PolarHBondContact O-N 2.93Å; A451-A454 WeakPolarHBondContact O-CB 3.38Å; A451-A454 PolarHBondContact O-N 2.82Å; A451-C455 PolarHBondContact O-N 2.86Å; A451-C455 VanDerWaalsContact O-N 3.12Å
452	A	96.7	Very high	94.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.7	-45.5	176.6	0	0	0	0	0	111.6	F270 L388 A448 G449 A454 C455 Q456	F270-A452 HydrophobicContact CB-CB 3.75Å; F270-A452 HydrophobicContact CD1-CB 3.52Å; F270-A452 HydrophobicContact CD2-CB 4.13Å; F270-A452 HydrophobicContact CE1-CB 4.09Å; F270-A452 HydrophobicContact CG-CB 3.52Å; L388-A452 HydrophobicContact CD2-CB 3.98Å; A448-A452 WeakPolarHBondContact O-CB 3.25Å; A448-A452 PolarHBondContact O-N 2.95Å; G449-A452 PolarHBondContact O-N 2.63Å; A452-A454 VanDerWaalsContact C-N 3.29Å; A452-A454 PolarHBondContact O-N 3.14Å; A452-C455 PolarHBondContact O-N 2.86Å; A452-Q456 WeakPolarHBondContact O-CB 3.23Å; A452-Q456 WeakPolarHBondContact O-CG 3.48Å; A452-Q456 PolarHBondContact O-N 3.49Å
453	L	97.1	Very high	94.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.9	-41.3	178.3	-175.6	60.3	0	0	0	111.2	L218 V254 G449 K450 A451 Q456 L457 L468 L478	L218-L453 HydrophobicContact CD1-CD1 4.11Å; L218-L453 HydrophobicContact CD2-CD2 4.36Å; V254-L453 HydrophobicContact CB-CD1 4.34Å; V254-L453 HydrophobicContact CG1-CD1 4.48Å; V254-L453 HydrophobicContact CG2-CD1 4.42Å; G449-L453 VanDerWaalsContact O-CB 3.27Å; G449-L453 WeakPolarHBondContact O-CB 3.37Å; G449-L453 PolarHBondContact O-N 3.29Å; K450-L453 PolarHBondContact O-N 3.18Å; A451-L453 PolarHBondContact O-N 2.93Å; L453-Q456 PolarHBondContact O-N 3.4Å; L453-L457 HydrophobicContact CD1-CD1 4.03Å; L453-L457 HydrophobicContact CD1-CG 4Å; L453-L457 HydrophobicContact CD2-CD1 4.43Å; L453-L457 HydrophobicContact CG-CD1 3.8Å; L453-L457 HydrophobicContact CG-CG 4.21Å; L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.4Å; L453-L457 PolarHBondContact O-N 3.01Å; L453-L468 HydrophobicContact CB-CD1 4.46Å; L453-L468 HydrophobicContact CD2-CD1 4.17Å; L453-L468 HydrophobicContact CG-CD1 4.2Å; L453-L478 HydrophobicContact CB-CD2 4.43Å; L453-L478 HydrophobicContact CD2-CB 4.41Å; L453-L478 HydrophobicContact CD2-CD1 4.26Å; L453-L478 HydrophobicContact CD2-CD2 4.03Å; L453-L478 HydrophobicContact CD2-CG 4.49Å
454	A	95.8	Very high	94	Very high	1 Å²	1	15 Å²	15	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-48.1	177.8	0	0	0	0	0	111.3	K450 A451 A452 Q456 L457 Y458 I463 L468	K450-A454 PolarHBondContact O-N 3.45Å; A451-A454 WeakPolarHBondContact O-CB 3.38Å; A451-A454 PolarHBondContact O-N 2.82Å; A452-A454 VanDerWaalsContact C-N 3.29Å; A452-A454 PolarHBondContact O-N 3.14Å; A454-Q456 PolarHBondContact O-N 3.46Å; A454-L457 PolarHBondContact O-N 3.3Å; A454-Y458 VanDerWaalsContact O-CB 3.32Å; A454-Y458 WeakPolarHBondContact O-CB 3.33Å; A454-Y458 PolarHBondContact O-N 3.04Å; A454-I463 HydrophobicContact CB-CD1 4.43Å; A454-I463 WeakPolarHBondContact O-CD1 3.47Å; A454-L468 HydrophobicContact CB-CB 4.43Å; A454-L468 HydrophobicContact CB-CD1 4.13Å; A454-L468 HydrophobicContact CB-CG 3.81Å
455	C	93	Very high	93.6	Very high	3 Å²	3	19 Å²	19	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-45	175	-67.6	0	0	0	0	112	W393 F411 A451 A452 Y458 C459	W393-C455 HydrophobicContact CD2-CB 4.47Å; W393-C455 HydrophobicContact CE3-CB 4.24Å; W393-C455 HydrophobicContact CH2-CB 3.92Å; W393-C455 HydrophobicContact CZ2-CB 4.1Å; W393-C455 HydrophobicContact CZ3-CB 3.96Å; F411-C455 HydrophobicContact CZ-CB 4.45Å; A451-C455 PolarHBondContact O-N 2.86Å; A451-C455 VanDerWaalsContact O-N 3.12Å; A452-C455 PolarHBondContact O-N 2.86Å; C455-Y458 PolarHBondContact O-N 3.43Å; C455-C459 WeakPolarHBondContact O-CB 3.49Å; C455-C459 PolarHBondContact O-N 2.85Å; C455-C459 PolarHBondContact O-SG 3.47Å
456	Q	94	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-47.7	179.6	-69.5	167.5	-24.5	0	0	111.7	V254 A268 W393 A452 L453 A454 C459 M460	V254-Q456 HydrophobicContact CG1-CB 3.67Å; V254-Q456 HydrophobicContact CG1-CG 4.16Å; A268-Q456 HydrophobicContact CB-CB 4.17Å; A268-Q456 HydrophobicContact CB-CG 3.78Å; W393-Q456 HydrophobicContact CG-CG 4.25Å; A452-Q456 WeakPolarHBondContact O-CB 3.23Å; A452-Q456 WeakPolarHBondContact O-CG 3.48Å; A452-Q456 PolarHBondContact O-N 3.49Å; L453-Q456 PolarHBondContact O-N 3.4Å; A454-Q456 PolarHBondContact O-N 3.46Å; Q456-C459 PolarHBondContact O-N 3.3Å; Q456-M460 VanDerWaalsContact O-CG 3.27Å; Q456-M460 WeakPolarHBondContact O-CG 3.36Å; Q456-M460 PolarHBondContact O-N 3.47Å
457	L	93.3	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-37.4	178	-69.4	172.6	0	0	0	112.4	L216 V254 L453 A454 M460 G461 I462 I463 L468 L474	L216-L457 HydrophobicContact CD1-CD2 3.56Å; V254-L457 HydrophobicContact CG2-CD2 4.46Å; L453-L457 HydrophobicContact CD1-CD1 4.03Å; L453-L457 HydrophobicContact CD1-CG 4Å; L453-L457 HydrophobicContact CD2-CD1 4.43Å; L453-L457 HydrophobicContact CG-CD1 3.8Å; L453-L457 HydrophobicContact CG-CG 4.21Å; L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.4Å; L453-L457 PolarHBondContact O-N 3.01Å; A454-L457 PolarHBondContact O-N 3.3Å; L457-M460 PolarHBondContact O-N 2.79Å; L457-G461 PolarHBondContact O-N 3.5Å; L457-I462 HydrophobicContact CB-CB 4.47Å; L457-I462 HydrophobicContact CD2-CB 4.5Å; L457-I462 HydrophobicContact CD2-CD1 3.96Å; L457-I462 HydrophobicContact CD2-CG2 4.43Å; L457-I462 WeakPolarHBondContact O-CB 3.44Å; L457-I462 PolarHBondContact O-N 3.07Å; L457-I463 HydrophobicContact CB-CD1 3.95Å; L457-I463 HydrophobicContact CB-CG1 4Å; L457-L468 HydrophobicContact CD1-CD1 4.31Å; L457-L474 HydrophobicContact CD1-CD1 3.56Å
458	Y	91.2	Very high	92.9	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-50.9	172.4	171.8	-90.5	0	0	0	109.8	L403 C408 F411 A454 C455 M460 G461 I463 E464 P466	L403-Y458 HydrophobicContact CD1-CD1 4.34Å; L403-Y458 HydrophobicContact CD1-CD2 4.43Å; L403-Y458 HydrophobicContact CD1-CE1 4.06Å; L403-Y458 HydrophobicContact CD1-CE2 4.21Å; L403-Y458 WeakPolarHBondContact CD1-O 3.32Å; L403-Y458 HydrophobicContact CD2-CD2 4.44Å; L403-Y458 HydrophobicContact CD2-CE2 3.68Å; C408-Y458 HydrophobicContact CB-CE2 4.26Å; C408-Y458 PolarHBondContact N-OH 2.78Å; C408-Y458 VanDerWaalsContact N-OH 3.13Å; C408-Y458 VanDerWaalsContact SG-CZ 3.51Å; C408-Y458 PolarHBondContact SG-OH 3.46Å; F411-Y458 HydrophobicContact CD2-CE1 4.02Å; F411-Y458 AromaticContact CE2-CD1 3.45Å; F411-Y458 HydrophobicContact CE2-CD1 3.45Å; F411-Y458 VanDerWaalsContact CE2-CD1 3.45Å; F411-Y458 AromaticContact CE2-CE1 3.31Å; F411-Y458 HydrophobicContact CE2-CE1 3.31Å; F411-Y458 HydrophobicContact CE2-CG 4.44Å; F411-Y458 AromaticContact CZ-CD1 3.94Å; F411-Y458 HydrophobicContact CZ-CD1 3.94Å; F411-Y458 HydrophobicContact CZ-CE1 4.24Å; A454-Y458 VanDerWaalsContact O-CB 3.32Å; A454-Y458 WeakPolarHBondContact O-CB 3.33Å; A454-Y458 PolarHBondContact O-N 3.04Å; C455-Y458 PolarHBondContact O-N 3.43Å; Y458-M460 PolarHBondContact O-N 3.22Å; Y458-M460 VanDerWaalsContact O-N 3.15Å; Y458-G461 WeakPolarHBondContact O-CA 2.85Å; Y458-G461 PolarHBondContact O-N 2.95Å; Y458-I463 WeakPolarHBondContact CD2-O 3.23Å; Y458-E464 WeakPolarHBondContact CE2-O 3.44Å; Y458-P466 HydrophobicContact CD1-CB 4.45Å; Y458-P466 HydrophobicContact CD2-CB 4.46Å; Y458-P466 HydrophobicContact CG-CB 4.03Å
459	C	89.5	Confident	92.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-28.3	177.9	-70.9	0	0	0	0	113.3	F397 I399 P400 C455 Q456 G461	F397-C459 HydrophobicContact CE2-CB 4.16Å; I399-C459 HydrophobicContact CD1-CB 4.23Å; I399-C459 VanDerWaalsContact CD1-SG 3.58Å; I399-C459 HydrophobicContact CG1-CB 3.96Å; P400-C459 WeakPolarHBondContact CD-O 3.42Å; C455-C459 WeakPolarHBondContact O-CB 3.49Å; C455-C459 PolarHBondContact O-N 2.85Å; C455-C459 PolarHBondContact O-SG 3.47Å; Q456-C459 PolarHBondContact O-N 3.3Å; C459-G461 VanDerWaalsContact C-N 3.26Å; C459-G461 PolarHBondContact O-N 2.95Å
460	M	89.4	Confident	92.4	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.02	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.8	173.6	-68.3	179.8	87.3	0	0	113.7	L216 V254 Q266 F397 Q456 L457 Y458 I462	L216-M460 HydrophobicContact CD1-CE 4.5Å; L216-M460 HydrophobicContact CD1-SD 4.38Å; L216-M460 HydrophobicContact CD2-CE 3.51Å; L216-M460 HydrophobicContact CD2-SD 4.44Å; V254-M460 HydrophobicContact CG1-SD 4.43Å; V254-M460 HydrophobicContact CG2-SD 4.29Å; Q266-M460 HydrophobicContact CB-CE 3.99Å; F397-M460 HydrophobicContact CE1-CG 4.1Å; F397-M460 HydrophobicContact CE2-CB 4.34Å; F397-M460 HydrophobicContact CE2-CG 3.57Å; F397-M460 HydrophobicContact CZ-CB 4.42Å; F397-M460 HydrophobicContact CZ-CG 3.23Å; F397-M460 HydrophobicContact CZ-SD 4.24Å; Q456-M460 VanDerWaalsContact O-CG 3.27Å; Q456-M460 WeakPolarHBondContact O-CG 3.36Å; Q456-M460 PolarHBondContact O-N 3.47Å; L457-M460 PolarHBondContact O-N 2.79Å; Y458-M460 PolarHBondContact O-N 3.22Å; Y458-M460 VanDerWaalsContact O-N 3.15Å; M460-I462 HydrophobicContact CB-CD1 3.83Å; M460-I462 HydrophobicContact CB-CG1 3.92Å; M460-I462 HydrophobicContact SD-CD1 4.31Å
461	G	88.5	Confident	92	Very high	33 Å²	33	36.8 Å²	36.8	34%	0.34	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	22	-176.6	0	0	0	0	0	114.4	L457 Y458 C459	L457-G461 PolarHBondContact O-N 3.5Å; Y458-G461 WeakPolarHBondContact O-CA 2.85Å; Y458-G461 PolarHBondContact O-N 2.95Å; C459-G461 VanDerWaalsContact C-N 3.26Å; C459-G461 PolarHBondContact O-N 2.95Å
462	I	89.3	Confident	91.7	Very high	34 Å²	34	39.3 Å²	39.3	17%	0.174	20%	0.198	C	C	.	.	S	Bend	trans	-94.4	-34.6	-173	-63.3	178.3	0	0	0	112.1	L211 H214 L216 L457 M460	L211-I462 HydrophobicContact CD1-CG2 3.34Å; H214-I462 HydrophobicContact CB-CD1 4.23Å; L216-I462 HydrophobicContact CD1-CD1 3.19Å; L216-I462 HydrophobicContact CD2-CD1 3.97Å; L216-I462 HydrophobicContact CG-CD1 3.95Å; L457-I462 HydrophobicContact CB-CB 4.47Å; L457-I462 HydrophobicContact CD2-CB 4.5Å; L457-I462 HydrophobicContact CD2-CD1 3.96Å; L457-I462 HydrophobicContact CD2-CG2 4.43Å; L457-I462 WeakPolarHBondContact O-CB 3.44Å; L457-I462 PolarHBondContact O-N 3.07Å; M460-I462 HydrophobicContact CB-CD1 3.83Å; M460-I462 HydrophobicContact CB-CG1 3.92Å; M460-I462 HydrophobicContact SD-CD1 4.31Å
463	I	89.9	Confident	91.3	Very high	29 Å²	29	44.1 Å²	44.1	15%	0.149	22%	0.22	C	C	.	.			trans	-123.1	148.6	177	63.4	176.8	0	0	0	109.9	A454 L457 Y458 Q465 L468	A454-I463 HydrophobicContact CB-CD1 4.43Å; A454-I463 WeakPolarHBondContact O-CD1 3.47Å; L457-I463 HydrophobicContact CB-CD1 3.95Å; L457-I463 HydrophobicContact CB-CG1 4Å; Y458-I463 WeakPolarHBondContact CD2-O 3.23Å; I463-Q465 WeakPolarHBondContact CD1-O 3.38Å; I463-Q465 WeakPolarHBondContact CG1-O 3.25Å; I463-L468 HydrophobicContact CD1-CD2 4.05Å; I463-L468 HydrophobicContact CD1-CG 4.44Å
464	E	86.3	Confident	91.1	Very high	172 Å²	172	45.1 Å²	45.1	80%	0.804	23%	0.225	S	C	*	.	S	Bend	trans	-77.7	-25.9	-175.1	-63.1	-178.2	174.9	0	0	113.6	Y458	Y458-E464 WeakPolarHBondContact CE2-O 3.44Å
465	Q	89	Confident	91	Very high	90 Å²	90	45 Å²	45	42%	0.421	23%	0.225	S	C	.	.	S	Bend	trans	-129	142.6	179.3	-65.8	-63.3	-29.1	0	0	109.4	I463 Y467	I463-Q465 WeakPolarHBondContact CD1-O 3.38Å; I463-Q465 WeakPolarHBondContact CG1-O 3.25Å; Q465-Y467 PolarHBondContact O-N 3.29Å
466	P	91.2	Very high	90.9	Very high	15 Å²	15	50.6 Å²	50.6	10%	0.097	25%	0.245	C	C	.	.	S	Bend	trans	-75.6	48.6	177.9	34.7	-39.3	0	0	0	112	L410 F411 Y458	L410-P466 HydrophobicContact CB-CG 4.16Å; L410-P466 HydrophobicContact CD2-CB 3.99Å; L410-P466 HydrophobicContact CD2-CG 3.4Å; L410-P466 HydrophobicContact CG-CG 4.4Å; F411-P466 HydrophobicContact CE2-CB 4.31Å; F411-P466 HydrophobicContact CE2-CG 4.23Å; F411-P466 HydrophobicContact CZ-CB 4.03Å; F411-P466 HydrophobicContact CZ-CG 4.33Å; Y458-P466 HydrophobicContact CD1-CB 4.45Å; Y458-P466 HydrophobicContact CD2-CB 4.46Å; Y458-P466 HydrophobicContact CG-CB 4.03Å
467	Y	93.4	Very high	90.8	Very high	113 Å²	113	51.6 Å²	51.6	44%	0.443	25%	0.251	S	S	.	.			trans	-144	135.7	179.3	-179.1	-111.1	0	0	0	110.7	Q465 N469	Q465-Y467 PolarHBondContact O-N 3.29Å; Y467-N469 WeakPolarHBondContact CE1-OD1 3.45Å
468	L	93.6	Very high	90.9	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	25%	0.252	C	S	.	.			trans	-117.4	129.8	173.5	-67.2	173.2	0	0	0	108.4	K450 L453 A454 L457 I463 L474	K450-L468 WeakPolarHBondContact CE-O 3.18Å; K450-L468 PolarHBondContact NZ-O 3.23Å; L453-L468 HydrophobicContact CB-CD1 4.46Å; L453-L468 HydrophobicContact CD2-CD1 4.17Å; L453-L468 HydrophobicContact CG-CD1 4.2Å; A454-L468 HydrophobicContact CB-CB 4.43Å; A454-L468 HydrophobicContact CB-CD1 4.13Å; A454-L468 HydrophobicContact CB-CG 3.81Å; L457-L468 HydrophobicContact CD1-CD1 4.31Å; I463-L468 HydrophobicContact CD1-CD2 4.05Å; I463-L468 HydrophobicContact CD1-CG 4.44Å; L468-L474 HydrophobicContact CD1-CB 4.49Å
469	N	93.1	Very high	91.1	Very high	91 Å²	91	52 Å²	52	49%	0.487	25%	0.254	S	S	.	.			trans	-67.7	153.2	170.7	-71.7	-36.8	0	0	0	111	Y467 D471 H472 C475	Y467-N469 WeakPolarHBondContact CE1-OD1 3.45Å; N469-D471 PolarHBondContact O-N 2.82Å; N469-H472 HydrophobicContact CB-CB 4.43Å; N469-H472 WeakPolarHBondContact O-CB 3.38Å; N469-H472 PolarHBondContact O-N 2.84Å; N469-C475 WeakPolarHBondContact O-CB 3.43Å
470	F	91.2	Very high	91.3	Very high	37 Å²	37	55 Å²	55	16%	0.162	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	174.6	-77.7	-70.5	0	0	0	113.9	L377 E381 F446 V447 K450 K506	L377-F470 HydrophobicContact CB-CE2 4.07Å; L377-F470 HydrophobicContact CB-CZ 3.89Å; L377-F470 HydrophobicContact CD1-CE1 4.49Å; L377-F470 HydrophobicContact CD1-CZ 4.39Å; L377-F470 HydrophobicContact CG-CZ 4.49Å; E381-F470 HydrophobicContact CG-CE2 4.02Å; E381-F470 HydrophobicContact CG-CZ 3.87Å; E381-F470 WeakPolarHBondContact OE1-CE2 3.23Å; F446-F470 HydrophobicContact CE1-CD1 4.26Å; F446-F470 AromaticContact CE1-CE1 3.96Å; F446-F470 HydrophobicContact CE1-CE1 3.96Å; F446-F470 HydrophobicContact CZ-CD1 4.48Å; V447-F470 HydrophobicContact CG2-CE1 4.31Å; V447-F470 HydrophobicContact CG2-CZ 4.39Å; K450-F470 HydrophobicContact CD-CD1 3.97Å; K450-F470 HydrophobicContact CD-CE1 3.69Å; K450-F470 HydrophobicContact CD-CZ 4.24Å; F470-K506 PolarHBondContact O-NZ 3.23Å
471	D	89.6	Confident	91.6	Very high	122 Å²	122	55.1 Å²	55.1	65%	0.652	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.8	176.1	-65.4	-46.4	0	0	0	113.7	N469	N469-D471 PolarHBondContact O-N 2.82Å
472	H	91.1	Very high	92	Very high	74 Å²	74	53.6 Å²	53.6	34%	0.343	26%	0.259	S	S	.	.	S	Bend	trans	-64.7	138.8	179	-167.2	-80.6	0	0	0	110.4	N469 L474 C475 R476	N469-H472 HydrophobicContact CB-CB 4.43Å; N469-H472 WeakPolarHBondContact O-CB 3.38Å; N469-H472 PolarHBondContact O-N 2.84Å; H472-L474 VanDerWaalsContact C-N 3.31Å; H472-L474 WeakPolarHBondContact ND1-CB 3.26Å; H472-L474 PolarHBondContact ND1-N 3.02Å; H472-L474 VanDerWaalsContact ND1-N 3.19Å; H472-L474 PolarHBondContact O-N 2.78Å; H472-C475 HydrophobicContact CB-CB 4.24Å; H472-C475 WeakPolarHBondContact O-CA 3.01Å; H472-C475 VanDerWaalsContact O-CB 3.24Å; H472-C475 WeakPolarHBondContact O-CB 3.28Å; H472-C475 PolarHBondContact O-N 3.09Å; H472-R476 PolarHBondContact O-N 3.24Å
473	E	89	Confident	92.3	Very high	101 Å²	101	53.1 Å²	53.1	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-56.6	-42.4	-177	-68.5	-59	135	0	0	112.8	C475 R476 V477	E473-C475 PolarHBondContact O-N 3.02Å; E473-R476 WeakPolarHBondContact O-CB 3.46Å; E473-R476 PolarHBondContact O-N 3.31Å; E473-R476 VanDerWaalsContact O-N 3.13Å; E473-R476 IonicContact OE1-CZ 3.53Å; E473-R476 IonicContact OE1-NE 2.75Å; E473-R476 IonicContact OE1-NH1 2.9Å; E473-R476 PolarHBondContact OE1-NH1 3.21Å; E473-V477 WeakPolarHBondContact O-CG2 3.4Å; E473-V477 PolarHBondContact O-N 3.31Å
474	L	91.9	Very high	92.5	Very high	21 Å²	21	56.4 Å²	56.4	11%	0.11	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-31.9	173.3	-61.2	177.3	0	0	0	113.2	I209 L457 L468 H472 L478	I209-L474 HydrophobicContact CB-CD2 4.47Å; I209-L474 HydrophobicContact CD1-CD2 3.97Å; I209-L474 HydrophobicContact CG1-CD2 4.01Å; I209-L474 HydrophobicContact CG2-CD2 3.63Å; L457-L474 HydrophobicContact CD1-CD1 3.56Å; L468-L474 HydrophobicContact CD1-CB 4.49Å; H472-L474 VanDerWaalsContact C-N 3.31Å; H472-L474 WeakPolarHBondContact ND1-CB 3.26Å; H472-L474 PolarHBondContact ND1-N 3.02Å; H472-L474 VanDerWaalsContact ND1-N 3.19Å; H472-L474 PolarHBondContact O-N 2.78Å; L474-L478 WeakPolarHBondContact O-CB 3.34Å; L474-L478 PolarHBondContact O-N 2.96Å
475	C	93.3	Very high	93	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.2	-38	175.7	-172.3	0	0	0	0	111.4	N469 H472 E473 L478 E479	N469-C475 WeakPolarHBondContact O-CB 3.43Å; H472-C475 HydrophobicContact CB-CB 4.24Å; H472-C475 WeakPolarHBondContact O-CA 3.01Å; H472-C475 VanDerWaalsContact O-CB 3.24Å; H472-C475 WeakPolarHBondContact O-CB 3.28Å; H472-C475 PolarHBondContact O-N 3.09Å; E473-C475 PolarHBondContact O-N 3.02Å; C475-L478 PolarHBondContact O-N 3.28Å; C475-E479 VanDerWaalsContact O-CB 3.31Å; C475-E479 WeakPolarHBondContact O-CB 3.49Å; C475-E479 PolarHBondContact O-N 2.94Å
476	R	91.5	Very high	93.3	Very high	119 Å²	119	44 Å²	44	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-40.7	174.3	-66.1	177.1	173.6	177.6	-7.2	112.4	H472 E473 E479 S480	H472-R476 PolarHBondContact O-N 3.24Å; E473-R476 WeakPolarHBondContact O-CB 3.46Å; E473-R476 PolarHBondContact O-N 3.31Å; E473-R476 VanDerWaalsContact O-N 3.13Å; E473-R476 IonicContact OE1-CZ 3.53Å; E473-R476 IonicContact OE1-NE 2.75Å; E473-R476 IonicContact OE1-NH1 2.9Å; E473-R476 PolarHBondContact OE1-NH1 3.21Å; R476-E479 WeakPolarHBondContact O-CB 3.29Å; R476-E479 PolarHBondContact O-N 3.14Å; R476-S480 PolarHBondContact O-N 3.48Å
477	V	92	Very high	93.5	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.127	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-48.3	173.2	162.6	0	0	0	0	111	F207 E473 E479 S480 L481	F207-V477 HydrophobicContact CB-CG1 3.57Å; F207-V477 HydrophobicContact CD1-CB 4.25Å; F207-V477 HydrophobicContact CD1-CG1 3.22Å; F207-V477 HydrophobicContact CD1-CG2 4.03Å; F207-V477 HydrophobicContact CD2-CB 4.48Å; F207-V477 HydrophobicContact CD2-CG1 3.57Å; F207-V477 HydrophobicContact CD2-CG2 4.28Å; F207-V477 HydrophobicContact CE1-CB 4.21Å; F207-V477 HydrophobicContact CE1-CG1 3.66Å; F207-V477 HydrophobicContact CE1-CG2 3.5Å; F207-V477 HydrophobicContact CE2-CB 4.46Å; F207-V477 HydrophobicContact CE2-CG1 3.98Å; F207-V477 HydrophobicContact CE2-CG2 3.79Å; F207-V477 HydrophobicContact CG-CB 4.36Å; F207-V477 HydrophobicContact CG-CG1 3.15Å; F207-V477 HydrophobicContact CG-CG2 4.37Å; F207-V477 HydrophobicContact CZ-CB 4.33Å; F207-V477 HydrophobicContact CZ-CG1 4.01Å; F207-V477 HydrophobicContact CZ-CG2 3.36Å; E473-V477 WeakPolarHBondContact O-CG2 3.4Å; E473-V477 PolarHBondContact O-N 3.31Å; V477-E479 VanDerWaalsContact C-N 3.3Å; V477-E479 PolarHBondContact O-N 3.31Å; V477-S480 PolarHBondContact O-N 3.11Å; V477-L481 PolarHBondContact O-N 3.19Å; V477-L481 VanDerWaalsContact O-N 3.11Å
478	L	95.9	Very high	93.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-41.9	177.9	-172.6	69.8	0	0	0	111.1	L218 F446 K450 L453 L474 C475 S480 L481 Y482	L218-L478 HydrophobicContact CD2-CD1 3.72Å; F446-L478 HydrophobicContact CD2-CD2 4.33Å; F446-L478 HydrophobicContact CD2-CG 4.21Å; F446-L478 HydrophobicContact CE2-CB 4.29Å; F446-L478 HydrophobicContact CE2-CD2 4.18Å; F446-L478 HydrophobicContact CE2-CG 4.16Å; K450-L478 HydrophobicContact CB-CD2 3.86Å; L453-L478 HydrophobicContact CB-CD2 4.43Å; L453-L478 HydrophobicContact CD2-CB 4.41Å; L453-L478 HydrophobicContact CD2-CD1 4.26Å; L453-L478 HydrophobicContact CD2-CD2 4.03Å; L453-L478 HydrophobicContact CD2-CG 4.49Å; L474-L478 WeakPolarHBondContact O-CB 3.34Å; L474-L478 PolarHBondContact O-N 2.96Å; C475-L478 PolarHBondContact O-N 3.28Å; L478-S480 PolarHBondContact O-N 3.41Å; L478-L481 PolarHBondContact O-N 3.27Å; L478-Y482 HydrophobicContact CD1-CD2 3.93Å; L478-Y482 HydrophobicContact CD1-CE2 3.67Å; L478-Y482 HydrophobicContact CD2-CE2 4.47Å; L478-Y482 HydrophobicContact CG-CD2 3.87Å; L478-Y482 HydrophobicContact CG-CE2 3.94Å; L478-Y482 WeakPolarHBondContact O-CD2 3.41Å; L478-Y482 PolarHBondContact O-N 3.32Å
479	E	94.9	Very high	93.6	Very high	13 Å²	13	40 Å²	40	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-47.9	175.4	176.1	176.4	-176.1	0	0	111.2	F446 C475 R476 V477 L481 Y482 D483 I502 K503 K506	F446-E479 HydrophobicContact CD2-CB 4.45Å; F446-E479 VanDerWaalsContact CE2-CA 3.49Å; F446-E479 HydrophobicContact CE2-CB 3.7Å; F446-E479 HydrophobicContact CZ-CB 3.91Å; F446-E479 HydrophobicContact CZ-CG 4.5Å; C475-E479 VanDerWaalsContact O-CB 3.31Å; C475-E479 WeakPolarHBondContact O-CB 3.49Å; C475-E479 PolarHBondContact O-N 2.94Å; R476-E479 WeakPolarHBondContact O-CB 3.29Å; R476-E479 PolarHBondContact O-N 3.14Å; V477-E479 VanDerWaalsContact C-N 3.3Å; V477-E479 PolarHBondContact O-N 3.31Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-L481 PolarHBondContact O-N 3.44Å; E479-Y482 PolarHBondContact O-N 3.08Å; E479-Y482 VanDerWaalsContact O-N 3.15Å; E479-D483 PolarHBondContact O-N 3.38Å; E479-I502 HydrophobicContact CG-CB 3.95Å; E479-I502 HydrophobicContact CG-CD1 4.12Å; E479-I502 HydrophobicContact CG-CG2 3.79Å; E479-K503 VanDerWaalsContact OE1-CG 3.3Å; E479-K503 WeakPolarHBondContact OE1-CG 3.32Å; E479-K506 IonicContact OE1-NZ 3.13Å; E479-K506 WeakPolarHBondContact OE2-CE 3.31Å; E479-K506 IonicContact OE2-NZ 2.65Å; E479-K506 PolarHBondContact OE2-NZ 3.42Å
480	S	93.2	Very high	93.6	Very high	62 Å²	62	35.7 Å²	35.7	43%	0.434	18%	0.178	S	C	.	.	H	α-helix	trans	-57.6	-44.4	176.1	-165.8	0	0	0	0	112.2	R476 V477 L478 Y482 D483 E484	R476-S480 PolarHBondContact O-N 3.48Å; V477-S480 PolarHBondContact O-N 3.11Å; L478-S480 PolarHBondContact O-N 3.41Å; S480-Y482 PolarHBondContact O-N 2.86Å; S480-D483 PolarHBondContact O-N 3.31Å; S480-E484 WeakPolarHBondContact O-CG 3.21Å; S480-E484 PolarHBondContact O-N 3.41Å
481	L	96	Very high	93.6	Very high	7 Å²	7	38 Å²	38	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-40.6	176.6	-75.6	175.4	0	0	0	112.2	F207 L218 L220 V477 L478 E479 H485	F207-L481 HydrophobicContact CB-CD1 3.9Å; F207-L481 HydrophobicContact CB-CG 4.46Å; L218-L481 HydrophobicContact CD2-CD1 3.7Å; L218-L481 HydrophobicContact CG-CD1 3.96Å; L220-L481 HydrophobicContact CD2-CB 4.36Å; V477-L481 PolarHBondContact O-N 3.19Å; V477-L481 VanDerWaalsContact O-N 3.11Å; L478-L481 PolarHBondContact O-N 3.27Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-L481 PolarHBondContact O-N 3.44Å; L481-H485 WeakPolarHBondContact O-CB 3.48Å; L481-H485 PolarHBondContact O-N 3.23Å
482	Y	97.7	Very high	93.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-73.8	-29.5	178.1	-88.7	-89.1	0	0	0	113.1	L220 T250 Q252 Q272 N442 Q445 F446 L478 E479 S480 H485 G486	L220-Y482 HydrophobicContact CD1-CE1 4.33Å; L220-Y482 HydrophobicContact CD1-CE2 4.06Å; L220-Y482 HydrophobicContact CD2-CD1 4.19Å; L220-Y482 HydrophobicContact CD2-CD2 3.97Å; L220-Y482 HydrophobicContact CD2-CE1 4.19Å; L220-Y482 HydrophobicContact CD2-CE2 3.99Å; L220-Y482 HydrophobicContact CD2-CG 4.08Å; T250-Y482 HydrophobicContact CG2-CE1 4.43Å; Q252-Y482 PolarHBondContact OE1-OH 2.94Å; Q272-Y482 PolarHBondContact NE2-OH 3.06Å; N442-Y482 PolarHBondContact ND2-O 3.04Å; N442-Y482 PolarHBondContact OD1-O 3.29Å; Q445-Y482 HydrophobicContact CB-CE1 4.04Å; F446-Y482 HydrophobicContact CB-CD1 3.97Å; F446-Y482 HydrophobicContact CB-CD2 4.26Å; F446-Y482 HydrophobicContact CB-CG 3.78Å; F446-Y482 AromaticContact CD2-CD2 3.97Å; F446-Y482 HydrophobicContact CD2-CD2 3.97Å; F446-Y482 HydrophobicContact CD2-CG 4.17Å; F446-Y482 HydrophobicContact CG-CG 4.48Å; L478-Y482 HydrophobicContact CD1-CD2 3.93Å; L478-Y482 HydrophobicContact CD1-CE2 3.67Å; L478-Y482 HydrophobicContact CD2-CE2 4.47Å; L478-Y482 HydrophobicContact CG-CD2 3.87Å; L478-Y482 HydrophobicContact CG-CE2 3.94Å; L478-Y482 WeakPolarHBondContact O-CD2 3.41Å; L478-Y482 PolarHBondContact O-N 3.32Å; E479-Y482 PolarHBondContact O-N 3.08Å; E479-Y482 VanDerWaalsContact O-N 3.15Å; S480-Y482 PolarHBondContact O-N 2.86Å; Y482-H485 AromaticContact CD1-ND1 3.67Å; Y482-G486 PolarHBondContact O-N 3.06Å
483	D	94.9	Very high	93.6	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-49.3	171.4	-84.7	-21.5	0	0	0	110.1	E479 S480 H485 G486 D487 I502	E479-D483 PolarHBondContact O-N 3.38Å; S480-D483 PolarHBondContact O-N 3.31Å; D483-H485 PolarHBondContact O-N 3.08Å; D483-G486 PolarHBondContact O-N 3.31Å; D483-D487 WeakPolarHBondContact O-CB 3.46Å; D483-D487 PolarHBondContact O-N 2.88Å; D483-I502 WeakPolarHBondContact OD1-CD1 3.48Å; D483-I502 WeakPolarHBondContact OD1-CG1 3.26Å; D483-I502 PolarHBondContact OD1-N 3.07Å; D483-I502 VanDerWaalsContact OD1-N 3.07Å
484	E	94.7	Very high	93.6	Very high	99 Å²	99	24.5 Å²	24.5	46%	0.463	12%	0.123	S	C	.	.	H	α-helix	trans	-60.7	-43.7	175.7	-72	175.6	-159.9	0	0	112.5	F203 S480 D487 A488	F203-E484 HydrophobicContact CE2-CB 3.82Å; F203-E484 HydrophobicContact CZ-CB 3.76Å; S480-E484 WeakPolarHBondContact O-CG 3.21Å; S480-E484 PolarHBondContact O-N 3.41Å; E484-D487 PolarHBondContact O-N 2.86Å; E484-A488 WeakPolarHBondContact O-CB 3.15Å; E484-A488 PolarHBondContact O-N 3.06Å
485	H	96.6	Very high	93.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.7	-46.3	173.4	160.7	-110.9	0	0	0	112.4	F203 L220 A222 T250 R274 N442 L481 Y482 D483 L489	F203-H485 HydrophobicContact CD1-CB 3.67Å; F203-H485 HydrophobicContact CE1-CB 3.73Å; F203-H485 HydrophobicContact CG-CB 4.18Å; F203-H485 HydrophobicContact CZ-CB 4.29Å; L220-H485 HydrophobicContact CD2-CB 3.77Å; A222-H485 VanDerWaalsContact CB-CD2 3.46Å; A222-H485 WeakPolarHBondContact CB-CD2 3.38Å; A222-H485 WeakPolarHBondContact CB-NE2 3.39Å; T250-H485 PolarHBondContact OG1-NE2 3.23Å; R274-H485 PolarHBondContact NH2-CE1 3.47Å; R274-H485 PolarHBondContact NH2-ND1 3.13Å; R274-H485 PolarHBondContact NH2-NE2 2.82Å; N442-H485 PolarHBondContact OD1-ND1 3.01Å; N442-H485 VanDerWaalsContact OD1-ND1 3.13Å; L481-H485 WeakPolarHBondContact O-CB 3.48Å; L481-H485 PolarHBondContact O-N 3.23Å; Y482-H485 AromaticContact CD1-ND1 3.67Å; D483-H485 PolarHBondContact O-N 3.08Å; H485-L489 WeakPolarHBondContact NE2-CD1 3.45Å; H485-L489 WeakPolarHBondContact O-CD1 3.4Å; H485-L489 WeakPolarHBondContact O-CG 3.42Å; H485-L489 PolarHBondContact O-N 3.22Å
486	G	95.3	Very high	92.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-43.9	178	0	0	0	0	0	112.2	N442 Y482 D483 L489 A490	N442-G486 WeakPolarHBondContact OD1-CA 3.2Å; Y482-G486 PolarHBondContact O-N 3.06Å; D483-G486 PolarHBondContact O-N 3.31Å; G486-L489 PolarHBondContact O-N 3.05Å; G486-A490 VanDerWaalsContact O-CB 3.25Å; G486-A490 WeakPolarHBondContact O-CB 3.29Å; G486-A490 PolarHBondContact O-N 3.45Å
487	D	94.2	Very high	92.5	Very high	34 Å²	34	22 Å²	22	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-64	-44.8	177.7	-80.9	-12.2	0	0	0	111.9	D483 E484 L489 A490 M491 Q497 L498	D483-D487 WeakPolarHBondContact O-CB 3.46Å; D483-D487 PolarHBondContact O-N 2.88Å; E484-D487 PolarHBondContact O-N 2.86Å; D487-L489 VanDerWaalsContact C-N 3.32Å; D487-L489 PolarHBondContact O-N 3.28Å; D487-A490 PolarHBondContact O-N 3.13Å; D487-M491 WeakPolarHBondContact O-CB 3.4Å; D487-M491 VanDerWaalsContact O-CG 3.3Å; D487-M491 WeakPolarHBondContact O-CG 3.36Å; D487-M491 PolarHBondContact O-N 3.17Å; D487-Q497 HydrophobicContact CB-CB 4.3Å; D487-Q497 HydrophobicContact CB-CG 4.13Å; D487-L498 VanDerWaalsContact OD1-CB 3.3Å; D487-L498 WeakPolarHBondContact OD1-CB 3.49Å; D487-L498 WeakPolarHBondContact OD1-CG 3.38Å; D487-L498 PolarHBondContact OD1-N 3.24Å
488	A	94.3	Very high	91.9	Very high	11 Å²	11	21 Å²	21	9%	0.091	11%	0.114	C	C	.	.	H	α-helix	trans	-58.3	-44.6	176.9	0	0	0	0	0	111.8	F203 E484 M491 Q492	F203-A488 HydrophobicContact CB-CB 4.2Å; F203-A488 HydrophobicContact CD2-CB 3.76Å; F203-A488 HydrophobicContact CG-CB 4.37Å; E484-A488 WeakPolarHBondContact O-CB 3.15Å; E484-A488 PolarHBondContact O-N 3.06Å; A488-M491 PolarHBondContact O-N 2.83Å; A488-Q492 VanDerWaalsContact O-CG 3.25Å; A488-Q492 WeakPolarHBondContact O-CG 3.35Å; A488-Q492 PolarHBondContact O-N 3.44Å; A488-Q492 VanDerWaalsContact O-N 3.16Å
489	L	94.8	Very high	90.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-77	-33.2	-177.6	-69.3	164	0	0	0	112.3	A222 V248 H485 G486 D487 Q492 Y493	A222-L489 HydrophobicContact CB-CD1 3.79Å; V248-L489 HydrophobicContact CG1-CD1 3.91Å; V248-L489 HydrophobicContact CG1-CD2 4.1Å; V248-L489 HydrophobicContact CG2-CD2 3.91Å; H485-L489 WeakPolarHBondContact NE2-CD1 3.45Å; H485-L489 WeakPolarHBondContact O-CD1 3.4Å; H485-L489 WeakPolarHBondContact O-CG 3.42Å; H485-L489 PolarHBondContact O-N 3.22Å; G486-L489 PolarHBondContact O-N 3.05Å; D487-L489 VanDerWaalsContact C-N 3.32Å; D487-L489 PolarHBondContact O-N 3.28Å; L489-Q492 PolarHBondContact O-N 3.08Å; L489-Y493 WeakPolarHBondContact O-CB 3.45Å; L489-Y493 PolarHBondContact O-N 3.02Å
490	A	92.8	Very high	90.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-43.3	170.3	0	0	0	0	0	111.7	L438 G486 D487 Q492 Y493 A494 G495 S496 L498	L438-A490 HydrophobicContact CD2-CB 4.11Å; G486-A490 VanDerWaalsContact O-CB 3.25Å; G486-A490 WeakPolarHBondContact O-CB 3.29Å; G486-A490 PolarHBondContact O-N 3.45Å; D487-A490 PolarHBondContact O-N 3.13Å; A490-Q492 VanDerWaalsContact C-N 3.3Å; A490-Q492 PolarHBondContact O-N 3.28Å; A490-Y493 PolarHBondContact O-N 2.86Å; A490-A494 WeakPolarHBondContact O-CA 3.32Å; A490-A494 PolarHBondContact O-N 2.77Å; A490-G495 PolarHBondContact O-N 3.26Å; A490-S496 CarbonylContact C-O 3.53Å; A490-S496 WeakPolarHBondContact CB-O 3.34Å; A490-S496 VanDerWaalsContact O-O 3.09Å; A490-L498 HydrophobicContact CB-CD2 3.89Å; A490-L498 HydrophobicContact CB-CG 4.26Å
491	M	91.1	Very high	89.6	Confident	85 Å²	85	22 Å²	22	42%	0.419	11%	0.114	S	C	.	.	H	α-helix	trans	-60.7	-41.8	176.2	-75.7	-62.5	-52.7	0	0	111.3	D487 A488 G495 S496 Q497 K535	D487-M491 WeakPolarHBondContact O-CB 3.4Å; D487-M491 VanDerWaalsContact O-CG 3.3Å; D487-M491 WeakPolarHBondContact O-CG 3.36Å; D487-M491 PolarHBondContact O-N 3.17Å; A488-M491 PolarHBondContact O-N 2.83Å; M491-G495 VanDerWaalsContact O-CA 3.3Å; M491-G495 WeakPolarHBondContact O-CA 3.42Å; M491-G495 PolarHBondContact O-N 2.93Å; M491-G495 VanDerWaalsContact O-N 3.09Å; M491-S496 WeakPolarHBondContact CA-O 3.45Å; M491-S496 PolarHBondContact N-O 3.38Å; M491-S496 WeakPolarHBondContact SD-CA 3.34Å; M491-Q497 HydrophobicContact CG-CG 4.02Å; M491-Q497 HydrophobicContact SD-CG 3.93Å; M491-Q497 PolarHBondContact SD-N 2.77Å; M491-K535 PolarHBondContact O-NZ 3.44Å
492	Q	91.3	Very high	88.9	Confident	11 Å²	11	21.8 Å²	21.8	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-68.4	-36	-179.7	-71.9	167	4.8	0	0	113	H201 G202 A488 L489 A490 K535	H201-Q492 VanDerWaalsContact NE2-CD 3.32Å; H201-Q492 PolarHBondContact NE2-NE2 2.87Å; H201-Q492 VanDerWaalsContact NE2-NE2 3.16Å; G202-Q492 PolarHBondContact O-NE2 3.09Å; A488-Q492 VanDerWaalsContact O-CG 3.25Å; A488-Q492 WeakPolarHBondContact O-CG 3.35Å; A488-Q492 PolarHBondContact O-N 3.44Å; A488-Q492 VanDerWaalsContact O-N 3.16Å; L489-Q492 PolarHBondContact O-N 3.08Å; A490-Q492 VanDerWaalsContact C-N 3.3Å; A490-Q492 PolarHBondContact O-N 3.28Å; Q492-K535 PolarHBondContact O-NZ 3.5Å
493	Y	90.9	Very high	88.2	Confident	2 Å²	2	26 Å²	26	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-94.5	-40.4	-176	-173.8	-125.4	0	0	0	114.3	G230 P231 R232 K235 N246 D436 L438 L489 A490	G230-Y493 WeakPolarHBondContact O-CD2 3.49Å; P231-Y493 CarbonylContact C-O 3.56Å; P231-Y493 VanDerWaalsContact CA-O 3.29Å; P231-Y493 WeakPolarHBondContact CA-O 3.48Å; R232-Y493 VanDerWaalsContact CA-CZ 3.43Å; R232-Y493 HydrophobicContact CB-CD1 4.03Å; R232-Y493 HydrophobicContact CB-CE1 3.76Å; R232-Y493 HydrophobicContact CB-CE2 4.4Å; R232-Y493 HydrophobicContact CG-CD1 4.3Å; R232-Y493 HydrophobicContact CG-CE1 3.72Å; R232-Y493 PolarHBondContact N-O 3.41Å; R232-Y493 PolarHBondContact O-OH 2.7Å; K235-Y493 PolarHBondContact O-OH 3.28Å; N246-Y493 HydrophobicContact CB-CD1 4.25Å; N246-Y493 HydrophobicContact CB-CD2 3.69Å; N246-Y493 HydrophobicContact CB-CE1 4.12Å; N246-Y493 HydrophobicContact CB-CE2 3.59Å; N246-Y493 HydrophobicContact CB-CG 4.03Å; N246-Y493 VanDerWaalsContact CG-CG 3.49Å; N246-Y493 WeakPolarHBondContact ND2-CD1 3.1Å; D436-Y493 VanDerWaalsContact O-CE1 3.28Å; D436-Y493 WeakPolarHBondContact O-CE1 3.4Å; L438-Y493 HydrophobicContact CD1-CD1 4.2Å; L438-Y493 HydrophobicContact CD2-CD1 3.93Å; L438-Y493 HydrophobicContact CG-CD1 4.11Å; L489-Y493 WeakPolarHBondContact O-CB 3.45Å; L489-Y493 PolarHBondContact O-N 3.02Å; A490-Y493 PolarHBondContact O-N 2.86Å
494	A	88.1	Confident	87.4	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-116	-1.8	-173.4	0	0	0	0	0	114.5	R232 L438 A490 S496 R524	R232-A494 HydrophobicContact CB-CB 4.44Å; L438-A494 HydrophobicContact CD1-CB 3.83Å; A490-A494 WeakPolarHBondContact O-CA 3.32Å; A490-A494 PolarHBondContact O-N 2.77Å; A494-S496 VanDerWaalsContact C-N 3.25Å; A494-S496 PolarHBondContact O-N 3.38Å; A494-R524 HydrophobicContact CB-CG 4.28Å
495	G	85.3	Confident	86.7	Confident	14 Å²	14	22.4 Å²	22.4	14%	0.144	11%	0.114	C	C	.	.	S	Bend	trans	74.4	12	179.5	0	0	0	0	0	114.7	A490 M491 S527	A490-G495 PolarHBondContact O-N 3.26Å; M491-G495 VanDerWaalsContact O-CA 3.3Å; M491-G495 WeakPolarHBondContact O-CA 3.42Å; M491-G495 PolarHBondContact O-N 2.93Å; M491-G495 VanDerWaalsContact O-N 3.09Å; G495-S527 PolarHBondContact O-OG 2.93Å
496	S	84.7	Confident	85.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-146.2	162.1	-177.9	73	0	0	0	0	110.8	A490 M491 A494 R524	A490-S496 CarbonylContact C-O 3.53Å; A490-S496 WeakPolarHBondContact CB-O 3.34Å; A490-S496 VanDerWaalsContact O-O 3.09Å; M491-S496 WeakPolarHBondContact CA-O 3.45Å; M491-S496 PolarHBondContact N-O 3.38Å; M491-S496 WeakPolarHBondContact SD-CA 3.34Å; A494-S496 VanDerWaalsContact C-N 3.25Å; A494-S496 PolarHBondContact O-N 3.38Å; S496-R524 WeakPolarHBondContact OG-CD 3.41Å; S496-R524 WeakPolarHBondContact OG-CG 3.49Å; S496-R524 PolarHBondContact OG-NE 2.89Å
497	Q	83.8	Confident	84.9	Confident	73 Å²	73	30.5 Å²	30.5	34%	0.341	15%	0.149	S	C	.	.			trans	-68.8	-179.5	169.8	-68.3	178.4	-23.5	0	0	112.3	D487 M491 Q520 R524	D487-Q497 HydrophobicContact CB-CB 4.3Å; D487-Q497 HydrophobicContact CB-CG 4.13Å; M491-Q497 HydrophobicContact CG-CG 4.02Å; M491-Q497 HydrophobicContact SD-CG 3.93Å; M491-Q497 PolarHBondContact SD-N 2.77Å; Q497-Q520 HydrophobicContact CB-CG 4.31Å; Q497-R524 PolarHBondContact O-NH2 2.94Å
498	L	79.3	Confident	83.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.165	C	C	.	.			trans	-62.6	139.6	173.9	-69.6	178.4	0	0	0	111.3	L438 D439 N442 D487 A490 R516	L438-L498 HydrophobicContact CB-CD2 4.29Å; D439-L498 WeakPolarHBondContact OD1-CD2 3.22Å; N442-L498 HydrophobicContact CB-CD1 4.34Å; D487-L498 VanDerWaalsContact OD1-CB 3.3Å; D487-L498 WeakPolarHBondContact OD1-CB 3.49Å; D487-L498 WeakPolarHBondContact OD1-CG 3.38Å; D487-L498 PolarHBondContact OD1-N 3.24Å; A490-L498 HydrophobicContact CB-CD2 3.89Å; A490-L498 HydrophobicContact CB-CG 4.26Å; L498-R516 PolarHBondContact O-NH1 2.9Å; L498-R516 PolarHBondContact O-NH2 3.4Å
499	V	74.9	Confident	82.6	Confident	13 Å²	13	34.1 Å²	34.1	8%	0.079	18%	0.176	C	C	.	.	S	Bend	trans	-84.7	-30.3	173.7	168.3	0	0	0	0	109.6	D439 D517 Q520 R524	D439-V499 PolarHBondContact OD1-N 2.76Å; V499-D517 HydrophobicContact CG1-CB 4.21Å; V499-D517 WeakPolarHBondContact O-CB 3.46Å; V499-Q520 HydrophobicContact CG2-CB 3.79Å; V499-R524 VanDerWaalsContact N-NH2 3.14Å
500	H	79.7	Confident	81.6	Confident	75 Å²	75	40.6 Å²	40.6	35%	0.347	21%	0.205	S	C	.	.	S	Bend	trans	-124.6	117.7	172.7	-62.4	-43.1	0	0	0	109.6	D439 T504 Y505 D517	D439-H500 HydrophobicContact CB-CB 4.27Å; D439-H500 PolarHBondContact OD1-N 2.93Å; D439-H500 VanDerWaalsContact OD1-N 3.15Å; H500-T504 HydrophobicContact CB-CG2 4.24Å; H500-Y505 HydrophobicContact CB-CD2 4.4Å; H500-Y505 HydrophobicContact CB-CE2 3.74Å; H500-D517 IonicContact ND1-OD2 3.54Å
501	S	81.8	Confident	80.2	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.063	24%	0.241	C	C	.	.			trans	-77.9	169.6	175.3	65.2	0	0	0	0	110.7	K503 T504 Y505	S501-K503 PolarHBondContact O-N 3.39Å; S501-K503 PolarHBondContact OG-N 2.85Å; S501-T504 PolarHBondContact N-OG1 2.69Å; S501-T504 WeakPolarHBondContact O-CB 3.41Å; S501-T504 PolarHBondContact O-N 3.38Å; S501-T504 VanDerWaalsContact O-N 3.12Å; S501-T504 PolarHBondContact O-OG1 2.89Å; S501-T504 PolarHBondContact OG-N 3.39Å; S501-T504 PolarHBondContact OG-OG1 2.95Å; S501-Y505 WeakPolarHBondContact O-CD2 3.49Å; S501-Y505 PolarHBondContact O-N 2.87Å
502	I	80.4	Confident	79.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-34.9	173.4	-65	162.8	0	0	0	110.8	V443 F446 E479 D483 T504 Y505 K506	V443-I502 HydrophobicContact CG2-CG1 4.16Å; F446-I502 HydrophobicContact CB-CD1 3.75Å; F446-I502 HydrophobicContact CB-CG1 4.47Å; F446-I502 HydrophobicContact CD1-CD1 4.04Å; F446-I502 HydrophobicContact CD1-CG1 4.36Å; F446-I502 HydrophobicContact CD1-CG2 3.73Å; F446-I502 HydrophobicContact CD2-CD1 4.05Å; F446-I502 HydrophobicContact CE1-CG2 3.67Å; F446-I502 HydrophobicContact CG-CD1 3.66Å; F446-I502 HydrophobicContact CG-CG1 4.42Å; F446-I502 HydrophobicContact CG-CG2 4.45Å; F446-I502 HydrophobicContact CZ-CG2 4.34Å; E479-I502 HydrophobicContact CG-CB 3.95Å; E479-I502 HydrophobicContact CG-CD1 4.12Å; E479-I502 HydrophobicContact CG-CG2 3.79Å; D483-I502 WeakPolarHBondContact OD1-CD1 3.48Å; D483-I502 WeakPolarHBondContact OD1-CG1 3.26Å; D483-I502 PolarHBondContact OD1-N 3.07Å; D483-I502 VanDerWaalsContact OD1-N 3.07Å; I502-T504 VanDerWaalsContact C-N 3.32Å; I502-T504 PolarHBondContact O-N 2.75Å; I502-Y505 WeakPolarHBondContact O-CA 3.33Å; I502-Y505 PolarHBondContact O-N 2.96Å; I502-K506 PolarHBondContact O-N 2.87Å
503	K	82.6	Confident	78.2	Confident	88 Å²	88	52.1 Å²	52.1	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-35.7	174.6	-63.7	179	-175.1	172.1	0	113.4	E479 S501 Y505 K506 K507 T508 A509	E479-K503 VanDerWaalsContact OE1-CG 3.3Å; E479-K503 WeakPolarHBondContact OE1-CG 3.32Å; S501-K503 PolarHBondContact O-N 3.39Å; S501-K503 PolarHBondContact OG-N 2.85Å; K503-Y505 VanDerWaalsContact C-N 3.27Å; K503-Y505 PolarHBondContact O-N 3Å; K503-K506 CarbonylContact O-C 3.52Å; K503-K506 PolarHBondContact O-N 2.81Å; K503-K507 PolarHBondContact O-N 2.71Å; K503-K507 VanDerWaalsContact O-N 3.08Å; K503-T508 PolarHBondContact O-N 3.03Å; K503-T508 PolarHBondContact O-OG1 2.98Å; K503-A509 PolarHBondContact O-N 3.4Å
504	T	78.4	Confident	77.2	Confident	28 Å²	28	60.7 Å²	60.7	17%	0.172	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-43.2	172.7	-46.3	0	0	0	0	110.3	H371 H500 S501 I502 K507	H371-T504 PolarHBondContact CE1-O 3.43Å; H500-T504 HydrophobicContact CB-CG2 4.24Å; S501-T504 PolarHBondContact N-OG1 2.69Å; S501-T504 WeakPolarHBondContact O-CB 3.41Å; S501-T504 PolarHBondContact O-N 3.38Å; S501-T504 VanDerWaalsContact O-N 3.12Å; S501-T504 PolarHBondContact O-OG1 2.89Å; S501-T504 PolarHBondContact OG-N 3.39Å; S501-T504 PolarHBondContact OG-OG1 2.95Å; I502-T504 VanDerWaalsContact C-N 3.32Å; I502-T504 PolarHBondContact O-N 2.75Å; T504-K507 PolarHBondContact O-N 2.94Å; T504-K507 VanDerWaalsContact O-N 3.13Å
505	Y	79.7	Confident	76.7	Confident	20 Å²	20	64.1 Å²	64.1	8%	0.078	32%	0.319	C	S	.	.	H	α-helix	trans	-72.9	-30.9	178.5	-75.2	-90.1	0	0	0	113.7	M367 H371 R440 V443 H500 S501 I502 K503 K507	M367-Y505 HydrophobicContact CE-CD1 3.38Å; M367-Y505 HydrophobicContact CE-CE1 3.38Å; M367-Y505 HydrophobicContact CE-CG 4.07Å; M367-Y505 HydrophobicContact CG-CE1 4.45Å; M367-Y505 HydrophobicContact SD-CE1 4.21Å; H371-Y505 HydrophobicContact CB-CD1 4.36Å; H371-Y505 HydrophobicContact CB-CE1 4.41Å; H371-Y505 PolarHBondContact CE1-O 3.03Å; H371-Y505 AromaticContact CG-CD1 3.86Å; H371-Y505 AromaticContact ND1-CD1 3.65Å; R440-Y505 WeakPolarHBondContact CG-OH 3.32Å; V443-Y505 HydrophobicContact CB-CD2 4.46Å; V443-Y505 HydrophobicContact CG1-CG 4.22Å; V443-Y505 HydrophobicContact CG2-CD2 3.39Å; V443-Y505 HydrophobicContact CG2-CE2 3.68Å; V443-Y505 HydrophobicContact CG2-CG 3.9Å; H500-Y505 HydrophobicContact CB-CD2 4.4Å; H500-Y505 HydrophobicContact CB-CE2 3.74Å; S501-Y505 WeakPolarHBondContact O-CD2 3.49Å; S501-Y505 PolarHBondContact O-N 2.87Å; I502-Y505 WeakPolarHBondContact O-CA 3.33Å; I502-Y505 PolarHBondContact O-N 2.96Å; K503-Y505 VanDerWaalsContact C-N 3.27Å; K503-Y505 PolarHBondContact O-N 3Å; Y505-K507 PolarHBondContact O-N 2.9Å
506	K	80	Confident	76.6	Confident	39 Å²	39	66.2 Å²	66.2	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-70.8	-8.9	168.6	-73.6	-175.1	172	-174.3	0	113.8	L377 F470 E479 I502 K503 T508	L377-K506 HydrophobicContact CD1-CB 4.37Å; L377-K506 HydrophobicContact CD1-CG 3.68Å; F470-K506 PolarHBondContact O-NZ 3.23Å; E479-K506 IonicContact OE1-NZ 3.13Å; E479-K506 WeakPolarHBondContact OE2-CE 3.31Å; E479-K506 IonicContact OE2-NZ 2.65Å; E479-K506 PolarHBondContact OE2-NZ 3.42Å; I502-K506 PolarHBondContact O-N 2.87Å; K503-K506 CarbonylContact O-C 3.52Å; K503-K506 PolarHBondContact O-N 2.81Å; K506-T508 HydrophobicContact CB-CG2 4.16Å; K506-T508 PolarHBondContact O-N 2.96Å
507	K	75.1	Confident	76.5	Confident	133 Å²	133	67.2 Å²	67.2	58%	0.578	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	24.7	-171.8	-56.2	-179.6	177.4	179.3	0	113.5	K503 T504 Y505	K503-K507 PolarHBondContact O-N 2.71Å; K503-K507 VanDerWaalsContact O-N 3.08Å; T504-K507 PolarHBondContact O-N 2.94Å; T504-K507 VanDerWaalsContact O-N 3.13Å; Y505-K507 PolarHBondContact O-N 2.9Å
508	T	72.8	Confident	76.5	Confident	83 Å²	83	67.8 Å²	67.8	51%	0.509	34%	0.336	S	S	.	.			trans	-103.2	1.8	177.7	55.8	0	0	0	0	112.9	K503 K506 H510	K503-T508 PolarHBondContact O-N 3.03Å; K503-T508 PolarHBondContact O-OG1 2.98Å; K506-T508 HydrophobicContact CB-CG2 4.16Å; K506-T508 PolarHBondContact O-N 2.96Å; T508-H510 PolarHBondContact O-N 3.48Å
509	A	68	Low	76.9	Confident	38 Å²	38	72.6 Å²	72.6	31%	0.314	36%	0.36	S	S	.	.			trans	-60.8	130.5	179.4	0	0	0	0	0	112.2	K503 E513	K503-A509 PolarHBondContact O-N 3.4Å; A509-E513 WeakPolarHBondContact CA-OE2 3.2Å; A509-E513 HydrophobicContact CB-CB 4.4Å; A509-E513 WeakPolarHBondContact CB-OE2 3.45Å
510	H	73.2	Confident	77.5	Confident	139 Å²	139	73.1 Å²	73.1	64%	0.644	36%	0.362	S	S	*	.			trans	-74.2	158.5	175.2	-69	-74	0	0	0	112	T508 Q512 E513	T508-H510 PolarHBondContact O-N 3.48Å; H510-Q512 PolarHBondContact O-N 3.19Å; H510-Q512 VanDerWaalsContact O-N 3.11Å; H510-E513 WeakPolarHBondContact O-CB 3.43Å; H510-E513 PolarHBondContact O-N 3.2Å
511	L	64	Low	77.7	Confident	143 Å²	143	73.1 Å²	73.1	75%	0.749	37%	0.367	S	S	*	.	H	α-helix	trans	-56	-31.2	178.6	-175.8	61.2	0	0	0	113.3	E513 R514	L511-E513 VanDerWaalsContact C-N 3.28Å; L511-E513 PolarHBondContact O-N 2.92Å; L511-R514 WeakPolarHBondContact O-CB 3.33Å; L511-R514 PolarHBondContact O-N 3.22Å
512	Q	67	Low	78	Confident	164 Å²	164	78 Å²	78	77%	0.766	39%	0.392	S	S	*	.	H	α-helix	trans	-61.2	-34.5	175.1	-71.4	177.7	-28.5	0	0	112.6	H510 R514 S515 R516	H510-Q512 PolarHBondContact O-N 3.19Å; H510-Q512 VanDerWaalsContact O-N 3.11Å; Q512-R514 PolarHBondContact O-N 2.97Å; Q512-S515 PolarHBondContact O-N 3.45Å; Q512-S515 PolarHBondContact O-OG 2.91Å; Q512-R516 PolarHBondContact O-N 3.38Å
513	E	71.5	Confident	78.2	Confident	30 Å²	30	79.9 Å²	79.9	14%	0.14	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-31.3	178.6	-62.4	-177	-166.1	0	0	111.4	A509 H510 L511 S515 R516 D517	A509-E513 WeakPolarHBondContact CA-OE2 3.2Å; A509-E513 HydrophobicContact CB-CB 4.4Å; A509-E513 WeakPolarHBondContact CB-OE2 3.45Å; H510-E513 WeakPolarHBondContact O-CB 3.43Å; H510-E513 PolarHBondContact O-N 3.2Å; L511-E513 VanDerWaalsContact C-N 3.28Å; L511-E513 PolarHBondContact O-N 2.92Å; E513-S515 VanDerWaalsContact C-N 3.27Å; E513-S515 PolarHBondContact O-N 3.24Å; E513-R516 VanDerWaalsContact O-CB 3.3Å; E513-R516 WeakPolarHBondContact O-CB 3.29Å; E513-R516 PolarHBondContact O-N 3.37Å; E513-R516 VanDerWaalsContact O-N 3.11Å; E513-D517 PolarHBondContact O-N 3.23Å
514	R	70.5	Confident	78.4	Confident	182 Å²	182	76.4 Å²	76.4	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-61.1	-35.4	176.6	-169.6	177.3	179.4	178.2	-0.5	112.7	L511 Q512 V518	L511-R514 WeakPolarHBondContact O-CB 3.33Å; L511-R514 PolarHBondContact O-N 3.22Å; Q512-R514 PolarHBondContact O-N 2.97Å; R514-V518 WeakPolarHBondContact O-CG2 3.3Å; R514-V518 PolarHBondContact O-N 3.35Å
515	S	78.1	Confident	78.7	Confident	73 Å²	73	80 Å²	80	51%	0.51	40%	0.401	S	S	.	.	H	α-helix	trans	-70.4	-39.4	176	71	0	0	0	0	111.8	Q512 E513 D517 V518 I519	Q512-S515 PolarHBondContact O-N 3.45Å; Q512-S515 PolarHBondContact O-OG 2.91Å; E513-S515 VanDerWaalsContact C-N 3.27Å; E513-S515 PolarHBondContact O-N 3.24Å; S515-D517 VanDerWaalsContact C-N 3.33Å; S515-D517 PolarHBondContact O-N 3.5Å; S515-V518 PolarHBondContact O-N 3.16Å; S515-I519 WeakPolarHBondContact O-CG1 3.44Å; S515-I519 PolarHBondContact O-N 3.06Å; S515-I519 VanDerWaalsContact O-N 3.08Å
516	R	83.2	Confident	79.1	Confident	58 Å²	58	85.4 Å²	85.4	22%	0.219	42%	0.422	C	S	.	.	H	α-helix	trans	-58.7	-45.3	172.6	-174.1	-162.8	71.3	109.1	13.4	110.6	L498 Q512 E513 V518 I519 Q520	L498-R516 PolarHBondContact O-NH1 2.9Å; L498-R516 PolarHBondContact O-NH2 3.4Å; Q512-R516 PolarHBondContact O-N 3.38Å; E513-R516 VanDerWaalsContact O-CB 3.3Å; E513-R516 WeakPolarHBondContact O-CB 3.29Å; E513-R516 PolarHBondContact O-N 3.37Å; E513-R516 VanDerWaalsContact O-N 3.11Å; R516-V518 VanDerWaalsContact C-N 3.31Å; R516-V518 PolarHBondContact O-N 2.98Å; R516-I519 PolarHBondContact O-N 3.04Å; R516-I519 VanDerWaalsContact O-N 3.13Å; R516-Q520 HydrophobicContact CG-CG 4.37Å; R516-Q520 WeakPolarHBondContact O-CG 3.2Å; R516-Q520 PolarHBondContact O-N 2.94Å
517	D	82.4	Confident	79.4	Confident	21 Å²	21	84.1 Å²	84.1	11%	0.112	42%	0.418	C	S	.	.	H	α-helix	trans	-62.2	-37.2	-179	-62.1	-4.4	0	0	0	112.3	V499 H500 E513 S515 T521	V499-D517 HydrophobicContact CG1-CB 4.21Å; V499-D517 WeakPolarHBondContact O-CB 3.46Å; H500-D517 IonicContact ND1-OD2 3.54Å; E513-D517 PolarHBondContact O-N 3.23Å; S515-D517 VanDerWaalsContact C-N 3.33Å; S515-D517 PolarHBondContact O-N 3.5Å; D517-T521 WeakPolarHBondContact O-CB 3.35Å; D517-T521 PolarHBondContact O-N 2.88Å; D517-T521 PolarHBondContact O-OG1 3.31Å
518	V	84.8	Confident	79.8	Confident	85 Å²	85	79 Å²	79	52%	0.515	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-47.2	173	174.3	0	0	0	0	110.8	R514 S515 R516 Q520 T521 L522	R514-V518 WeakPolarHBondContact O-CG2 3.3Å; R514-V518 PolarHBondContact O-N 3.35Å; S515-V518 PolarHBondContact O-N 3.16Å; R516-V518 VanDerWaalsContact C-N 3.31Å; R516-V518 PolarHBondContact O-N 2.98Å; V518-Q520 VanDerWaalsContact C-N 3.34Å; V518-Q520 PolarHBondContact O-N 3.43Å; V518-T521 WeakPolarHBondContact O-CB 3.47Å; V518-T521 PolarHBondContact O-N 3.02Å; V518-L522 HydrophobicContact CG1-CD1 4.28Å; V518-L522 WeakPolarHBondContact O-CG 3.38Å; V518-L522 PolarHBondContact O-N 3.47Å
519	I	85.9	Confident	80.3	Confident	103 Å²	103	77.9 Å²	77.9	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-44.2	178	-66.7	165.4	0	0	0	110.8	S515 R516 T521 L522 S523	S515-I519 WeakPolarHBondContact O-CG1 3.44Å; S515-I519 PolarHBondContact O-N 3.06Å; S515-I519 VanDerWaalsContact O-N 3.08Å; R516-I519 PolarHBondContact O-N 3.04Å; R516-I519 VanDerWaalsContact O-N 3.13Å; I519-T521 VanDerWaalsContact C-N 3.33Å; I519-T521 PolarHBondContact O-N 2.86Å; I519-L522 PolarHBondContact O-N 3.39Å; I519-S523 WeakPolarHBondContact O-CB 3.34Å; I519-S523 PolarHBondContact O-N 3.21Å
520	Q	87.4	Confident	81	Confident	24 Å²	24	82.3 Å²	82.3	11%	0.112	40%	0.4	C	S	.	.	H	α-helix	trans	-64.6	-38.3	177.3	-65	-50	-40.4	0	0	111.7	Q497 V499 R516 V518 L522 S523 R524	Q497-Q520 HydrophobicContact CB-CG 4.31Å; V499-Q520 HydrophobicContact CG2-CB 3.79Å; R516-Q520 HydrophobicContact CG-CG 4.37Å; R516-Q520 WeakPolarHBondContact O-CG 3.2Å; R516-Q520 PolarHBondContact O-N 2.94Å; V518-Q520 VanDerWaalsContact C-N 3.34Å; V518-Q520 PolarHBondContact O-N 3.43Å; Q520-L522 VanDerWaalsContact C-N 3.34Å; Q520-L522 PolarHBondContact O-N 3.43Å; Q520-S523 PolarHBondContact O-N 3.09Å; Q520-R524 WeakPolarHBondContact O-CG 3.21Å; Q520-R524 PolarHBondContact O-N 3.47Å
521	T	85.7	Confident	81.6	Confident	74 Å²	74	78.4 Å²	78.4	45%	0.454	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-42.2	174.9	-59.2	0	0	0	0	111.7	D517 V518 I519 R524 Y525	D517-T521 WeakPolarHBondContact O-CB 3.35Å; D517-T521 PolarHBondContact O-N 2.88Å; D517-T521 PolarHBondContact O-OG1 3.31Å; V518-T521 WeakPolarHBondContact O-CB 3.47Å; V518-T521 PolarHBondContact O-N 3.02Å; I519-T521 VanDerWaalsContact C-N 3.33Å; I519-T521 PolarHBondContact O-N 2.86Å; T521-R524 PolarHBondContact O-N 3.11Å; T521-Y525 PolarHBondContact O-N 3.37Å
522	L	86.8	Confident	82.6	Confident	111 Å²	111	71.8 Å²	71.8	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-66.8	-41.5	175	-67.9	173.1	0	0	0	111.8	V518 I519 Q520 R524 Y525 Y526	V518-L522 HydrophobicContact CG1-CD1 4.28Å; V518-L522 WeakPolarHBondContact O-CG 3.38Å; V518-L522 PolarHBondContact O-N 3.47Å; I519-L522 PolarHBondContact O-N 3.39Å; Q520-L522 VanDerWaalsContact C-N 3.34Å; Q520-L522 PolarHBondContact O-N 3.43Å; L522-R524 PolarHBondContact O-N 2.9Å; L522-Y525 WeakPolarHBondContact O-CB 3.07Å; L522-Y525 PolarHBondContact O-N 3.26Å; L522-Y526 PolarHBondContact O-N 3.21Å
523	S	86	Confident	83.5	Confident	42 Å²	42	67.5 Å²	67.5	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-59.2	-46.2	175	-168.8	0	0	0	0	111.4	I519 Q520 Y525 Y526 S527	I519-S523 WeakPolarHBondContact O-CB 3.34Å; I519-S523 PolarHBondContact O-N 3.21Å; Q520-S523 PolarHBondContact O-N 3.09Å; S523-Y525 VanDerWaalsContact C-N 3.33Å; S523-Y525 PolarHBondContact O-N 3.17Å; S523-Y526 PolarHBondContact O-N 3.3Å; S523-S527 PolarHBondContact O-N 3.14Å; S523-S527 PolarHBondContact O-OG 3.16Å
524	R	85.1	Confident	84.3	Confident	15 Å²	15	70.8 Å²	70.8	6%	0.057	35%	0.349	C	S	.	.	H	α-helix	trans	-55.4	-50.9	173	-71.3	178.6	-177.2	-176.1	-1.3	110.3	D439 A494 S496 Q497 V499 Q520 T521 L522 Y526 S527 N528	D439-R524 IonicContact OD1-NH1 2.72Å; D439-R524 IonicContact OD1-NH2 3.81Å; D439-R524 PolarHBondContact OD1-NH2 3.33Å; D439-R524 IonicContact OD2-CZ 2.79Å; D439-R524 IonicContact OD2-NH1 2.69Å; D439-R524 PolarHBondContact OD2-NH1 3.26Å; D439-R524 VanDerWaalsContact OD2-NH1 3.07Å; D439-R524 IonicContact OD2-NH2 3.73Å; A494-R524 HydrophobicContact CB-CG 4.28Å; S496-R524 WeakPolarHBondContact OG-CD 3.41Å; S496-R524 WeakPolarHBondContact OG-CG 3.49Å; S496-R524 PolarHBondContact OG-NE 2.89Å; Q497-R524 PolarHBondContact O-NH2 2.94Å; V499-R524 VanDerWaalsContact N-NH2 3.14Å; Q520-R524 WeakPolarHBondContact O-CG 3.21Å; Q520-R524 PolarHBondContact O-N 3.47Å; T521-R524 PolarHBondContact O-N 3.11Å; L522-R524 PolarHBondContact O-N 2.9Å; R524-Y526 VanDerWaalsContact C-N 3.31Å; R524-Y526 PolarHBondContact O-N 2.86Å; R524-S527 PolarHBondContact O-N 3.37Å; R524-N528 WeakPolarHBondContact O-CB 3.26Å; R524-N528 PolarHBondContact O-N 2.93Å; R524-N528 PolarHBondContact O-ND2 3.18Å
525	Y	85.6	Confident	85.2	Confident	102 Å²	102	63.7 Å²	63.7	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-58.3	-43	-179.3	178	-92.5	0	0	0	111.9	V288 T521 L522 S523 N529	V288-Y525 HydrophobicContact CG1-CE2 4.2Å; V288-Y525 WeakPolarHBondContact CG1-OH 3.38Å; T521-Y525 PolarHBondContact O-N 3.37Å; L522-Y525 WeakPolarHBondContact O-CB 3.07Å; L522-Y525 PolarHBondContact O-N 3.26Å; S523-Y525 VanDerWaalsContact C-N 3.33Å; S523-Y525 PolarHBondContact O-N 3.17Å; Y525-N529 WeakPolarHBondContact CD2-ND2 3.28Å; Y525-N529 VanDerWaalsContact CE2-ND2 3.26Å; Y525-N529 WeakPolarHBondContact CE2-ND2 2.97Å; Y525-N529 VanDerWaalsContact CZ-ND2 3.32Å; Y525-N529 PolarHBondContact O-N 2.59Å; Y525-N529 PolarHBondContact O-ND2 2.63Å
526	Y	87.3	Confident	85.8	Confident	135 Å²	135	60.2 Å²	60.2	53%	0.529	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-49.7	175.3	180	-92	0	0	0	112.3	L522 S523 R524 N528 N529 F530 V531	L522-Y526 PolarHBondContact O-N 3.21Å; S523-Y526 PolarHBondContact O-N 3.3Å; R524-Y526 VanDerWaalsContact C-N 3.31Å; R524-Y526 PolarHBondContact O-N 2.86Å; Y526-N528 VanDerWaalsContact C-N 3.33Å; Y526-N528 PolarHBondContact O-N 3.39Å; Y526-N529 PolarHBondContact O-N 3.36Å; Y526-F530 AromaticContact CD2-CD2 3.49Å; Y526-F530 HydrophobicContact CD2-CD2 3.49Å; Y526-F530 VanDerWaalsContact CD2-CD2 3.49Å; Y526-F530 HydrophobicContact CD2-CE2 4.08Å; Y526-F530 HydrophobicContact CD2-CG 4.34Å; Y526-F530 HydrophobicContact CE1-CB 4.46Å; Y526-F530 HydrophobicContact CE2-CB 4.21Å; Y526-F530 AromaticContact CE2-CD2 3.7Å; Y526-F530 HydrophobicContact CE2-CD2 3.7Å; Y526-F530 HydrophobicContact CE2-CE2 4.4Å; Y526-F530 HydrophobicContact CE2-CG 4.15Å; Y526-F530 HydrophobicContact CG-CD2 4.12Å; Y526-F530 WeakPolarHBondContact O-CD2 3.19Å; Y526-F530 PolarHBondContact O-N 3.37Å; Y526-V531 HydrophobicContact CD1-CG2 4.1Å; Y526-V531 HydrophobicContact CE1-CG2 3.67Å
527	S	86.1	Confident	86.1	Confident	11 Å²	11	57.9 Å²	57.9	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-57.3	-46.5	179.2	-63.1	0	0	0	0	112	G495 S523 R524 N529 V531 D532	G495-S527 PolarHBondContact O-OG 2.93Å; S523-S527 PolarHBondContact O-N 3.14Å; S523-S527 PolarHBondContact O-OG 3.16Å; R524-S527 PolarHBondContact O-N 3.37Å; S527-N529 VanDerWaalsContact C-N 3.33Å; S527-N529 PolarHBondContact O-N 3.19Å; S527-V531 PolarHBondContact O-N 3.36Å; S527-D532 WeakPolarHBondContact O-CB 3.26Å; S527-D532 VanDerWaalsContact O-CG 3.27Å; S527-D532 PolarHBondContact O-N 3.45Å
528	N	84.5	Confident	86.5	Confident	26 Å²	26	56.9 Å²	56.9	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-40.2	-180	-65.6	-40.1	0	0	0	113	F233 R524 Y526 D532	F233-N528 HydrophobicContact CD2-CB 3.79Å; F233-N528 WeakPolarHBondContact CD2-OD1 3.29Å; F233-N528 HydrophobicContact CE2-CB 4.02Å; F233-N528 WeakPolarHBondContact CE2-ND2 3.36Å; R524-N528 WeakPolarHBondContact O-CB 3.26Å; R524-N528 PolarHBondContact O-N 2.93Å; R524-N528 PolarHBondContact O-ND2 3.18Å; Y526-N528 VanDerWaalsContact C-N 3.33Å; Y526-N528 PolarHBondContact O-N 3.39Å; N528-D532 WeakPolarHBondContact CA-OD2 3.47Å; N528-D532 PolarHBondContact OD1-OD2 2.88Å; N528-D532 VanDerWaalsContact OD1-OD2 3.11Å
529	N	82.4	Confident	86.8	Confident	59 Å²	59	52.9 Å²	52.9	32%	0.316	26%	0.261	S	S	.	.	H	α-helix	trans	-87.1	-30.8	-175.6	-71.6	-69.7	0	0	0	113.5	Y525 Y526 S527	Y525-N529 WeakPolarHBondContact CD2-ND2 3.28Å; Y525-N529 VanDerWaalsContact CE2-ND2 3.26Å; Y525-N529 WeakPolarHBondContact CE2-ND2 2.97Å; Y525-N529 VanDerWaalsContact CZ-ND2 3.32Å; Y525-N529 PolarHBondContact O-N 2.59Å; Y525-N529 PolarHBondContact O-ND2 2.63Å; Y526-N529 PolarHBondContact O-N 3.36Å; S527-N529 VanDerWaalsContact C-N 3.33Å; S527-N529 PolarHBondContact O-N 3.19Å
530	F	84.1	Confident	87.1	Confident	131 Å²	131	48.5 Å²	48.5	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-123.5	-16.3	-166.6	-58.9	-70.8	0	0	0	115.5	Y526	Y526-F530 AromaticContact CD2-CD2 3.49Å; Y526-F530 HydrophobicContact CD2-CD2 3.49Å; Y526-F530 VanDerWaalsContact CD2-CD2 3.49Å; Y526-F530 HydrophobicContact CD2-CE2 4.08Å; Y526-F530 HydrophobicContact CD2-CG 4.34Å; Y526-F530 HydrophobicContact CE1-CB 4.46Å; Y526-F530 HydrophobicContact CE2-CB 4.21Å; Y526-F530 AromaticContact CE2-CD2 3.7Å; Y526-F530 HydrophobicContact CE2-CD2 3.7Å; Y526-F530 HydrophobicContact CE2-CE2 4.4Å; Y526-F530 HydrophobicContact CE2-CG 4.15Å; Y526-F530 HydrophobicContact CG-CD2 4.12Å; Y526-F530 WeakPolarHBondContact O-CD2 3.19Å; Y526-F530 PolarHBondContact O-N 3.37Å
531	V	85	Confident	87.3	Confident	58 Å²	58	47.5 Å²	47.5	35%	0.352	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-35.3	-171.9	-176.6	0	0	0	0	112.5	Y526 S527 F533 D534 K535	Y526-V531 HydrophobicContact CD1-CG2 4.1Å; Y526-V531 HydrophobicContact CE1-CG2 3.67Å; S527-V531 PolarHBondContact O-N 3.36Å; V531-F533 VanDerWaalsContact C-N 3.25Å; V531-F533 PolarHBondContact O-N 3.36Å; V531-D534 PolarHBondContact O-N 3.31Å; V531-K535 WeakPolarHBondContact O-CB 3.04Å; V531-K535 PolarHBondContact O-N 3.48Å
532	D	85.7	Confident	87.7	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-31.7	-168.7	-83.2	1.7	0	0	0	113.5	P231 S527 N528 K535 Q536	P231-D532 HydrophobicContact CB-CB 3.68Å; P231-D532 WeakPolarHBondContact CB-OD1 3.44Å; P231-D532 VanDerWaalsContact CB-OD2 3.3Å; P231-D532 WeakPolarHBondContact CB-OD2 3.36Å; P231-D532 HydrophobicContact CG-CB 3.72Å; P231-D532 VanDerWaalsContact CG-O 3.25Å; P231-D532 WeakPolarHBondContact CG-O 3.26Å; S527-D532 WeakPolarHBondContact O-CB 3.26Å; S527-D532 VanDerWaalsContact O-CG 3.27Å; S527-D532 PolarHBondContact O-N 3.45Å; N528-D532 WeakPolarHBondContact CA-OD2 3.47Å; N528-D532 PolarHBondContact OD1-OD2 2.88Å; N528-D532 VanDerWaalsContact OD1-OD2 3.11Å; D532-K535 PolarHBondContact O-N 3.2Å; D532-Q536 PolarHBondContact O-N 3.18Å
533	F	85.9	Confident	87.9	Confident	73 Å²	73	40 Å²	40	32%	0.32	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-52.8	176.1	-177.5	-100.2	0	0	0	112.2	V531 K535 Q536 N537 Q556	V531-F533 VanDerWaalsContact C-N 3.25Å; V531-F533 PolarHBondContact O-N 3.36Å; F533-K535 VanDerWaalsContact C-N 3.27Å; F533-K535 PolarHBondContact O-N 2.74Å; F533-Q536 PolarHBondContact O-N 3.42Å; F533-N537 WeakPolarHBondContact CD1-ND2 3.36Å; F533-N537 WeakPolarHBondContact CE1-ND2 3.37Å; F533-N537 WeakPolarHBondContact CZ-ND2 3.42Å; F533-N537 PolarHBondContact O-N 3.26Å; F533-N537 VanDerWaalsContact O-N 3.1Å; F533-N537 PolarHBondContact O-ND2 3.1Å; F533-Q556 HydrophobicContact CE2-CB 3.94Å; F533-Q556 HydrophobicContact CE2-CG 3.67Å; F533-Q556 HydrophobicContact CZ-CB 4.2Å; F533-Q556 HydrophobicContact CZ-CG 3.74Å
534	D	87.7	Confident	88.1	Confident	99 Å²	99	38.7 Å²	38.7	53%	0.529	19%	0.185	S	C	.	.	H	α-helix	trans	-63.7	-37.3	178.1	-69.9	-34	0	0	0	111.1	V531 Q536 N537 A538	V531-D534 PolarHBondContact O-N 3.31Å; D534-Q536 PolarHBondContact O-N 2.75Å; D534-N537 PolarHBondContact O-N 2.85Å; D534-A538 VanDerWaalsContact O-CB 3.29Å; D534-A538 WeakPolarHBondContact O-CB 3.3Å; D534-A538 PolarHBondContact O-N 3.13Å
535	K	89.1	Confident	88.2	Confident	34 Å²	34	42.3 Å²	42.3	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-43.2	174.4	-168.4	-178.4	-171.3	-179.5	0	112.1	M491 Q492 V531 D532 F533 A538 L539	M491-K535 PolarHBondContact O-NZ 3.44Å; Q492-K535 PolarHBondContact O-NZ 3.5Å; V531-K535 WeakPolarHBondContact O-CB 3.04Å; V531-K535 PolarHBondContact O-N 3.48Å; D532-K535 PolarHBondContact O-N 3.2Å; F533-K535 VanDerWaalsContact C-N 3.27Å; F533-K535 PolarHBondContact O-N 2.74Å; K535-A538 PolarHBondContact O-N 3.07Å; K535-L539 HydrophobicContact CG-CD1 4.36Å; K535-L539 WeakPolarHBondContact O-CB 3.38Å; K535-L539 VanDerWaalsContact O-CG 3.26Å; K535-L539 WeakPolarHBondContact O-CG 3.43Å; K535-L539 PolarHBondContact O-N 2.92Å
536	Q	90.4	Very high	88.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-44	177.4	-175	63.7	62.2	0	0	111.6	A229 P231 K235 D532 F533 D534 A538 L539 N540 P557	A229-Q536 PolarHBondContact O-NE2 3.3Å; P231-Q536 HydrophobicContact CG-CB 4.28Å; K235-Q536 VanDerWaalsContact CE-CD 3.45Å; K235-Q536 VanDerWaalsContact CE-OE1 3.28Å; D532-Q536 PolarHBondContact O-N 3.18Å; F533-Q536 PolarHBondContact O-N 3.42Å; D534-Q536 PolarHBondContact O-N 2.75Å; Q536-A538 VanDerWaalsContact C-N 3.29Å; Q536-A538 PolarHBondContact O-N 2.98Å; Q536-L539 PolarHBondContact O-N 2.8Å; Q536-N540 PolarHBondContact NE2-OD1 2.95Å; Q536-N540 WeakPolarHBondContact O-CB 3.25Å; Q536-N540 VanDerWaalsContact O-CG 3.3Å; Q536-N540 PolarHBondContact O-N 2.8Å; Q536-N540 PolarHBondContact O-OD1 2.92Å; Q536-P557 HydrophobicContact CG-CG 4.34Å
537	N	89.9	Confident	88.2	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-42	177.3	-69.7	-30.5	0	0	0	111.4	M139 F533 D534 N540 L541 P554	M139-N537 HydrophobicContact CE-CB 4.14Å; M139-N537 HydrophobicContact SD-CB 3.99Å; F533-N537 WeakPolarHBondContact CD1-ND2 3.36Å; F533-N537 WeakPolarHBondContact CE1-ND2 3.37Å; F533-N537 WeakPolarHBondContact CZ-ND2 3.42Å; F533-N537 PolarHBondContact O-N 3.26Å; F533-N537 VanDerWaalsContact O-N 3.1Å; F533-N537 PolarHBondContact O-ND2 3.1Å; D534-N537 PolarHBondContact O-N 2.85Å; N537-N540 PolarHBondContact O-N 3.39Å; N537-L541 WeakPolarHBondContact O-CB 3.49Å; N537-L541 PolarHBondContact O-N 2.88Å; N537-P554 HydrophobicContact CB-CB 4.23Å
538	A	91.3	Very high	88.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-43.9	176.2	0	0	0	0	0	112.2	M139 S142 V143 D534 K535 Q536 L541 F542	M139-A538 HydrophobicContact CG-CB 3.71Å; M139-A538 WeakPolarHBondContact O-CB 3.44Å; S142-A538 WeakPolarHBondContact OG-CB 3.34Å; V143-A538 HydrophobicContact CG2-CB 3.5Å; V143-A538 WeakPolarHBondContact CG2-O 3.25Å; D534-A538 VanDerWaalsContact O-CB 3.29Å; D534-A538 WeakPolarHBondContact O-CB 3.3Å; D534-A538 PolarHBondContact O-N 3.13Å; K535-A538 PolarHBondContact O-N 3.07Å; Q536-A538 VanDerWaalsContact C-N 3.29Å; Q536-A538 PolarHBondContact O-N 2.98Å; A538-L541 PolarHBondContact O-N 2.82Å; A538-F542 WeakPolarHBondContact O-CB 3.31Å; A538-F542 PolarHBondContact O-N 2.81Å
539	L	91.8	Very high	87.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-43.3	175	-73.4	170.8	0	0	0	112.3	V143 L146 W178 K535 Q536 L541 F542 L543	V143-L539 HydrophobicContact CG1-CD2 4.08Å; L146-L539 HydrophobicContact CD1-CD2 4.46Å; W178-L539 HydrophobicContact CH2-CD2 4.38Å; W178-L539 HydrophobicContact CZ3-CD2 3.77Å; K535-L539 HydrophobicContact CG-CD1 4.36Å; K535-L539 WeakPolarHBondContact O-CB 3.38Å; K535-L539 VanDerWaalsContact O-CG 3.26Å; K535-L539 WeakPolarHBondContact O-CG 3.43Å; K535-L539 PolarHBondContact O-N 2.92Å; Q536-L539 PolarHBondContact O-N 2.8Å; L539-L541 VanDerWaalsContact C-N 3.29Å; L539-L541 PolarHBondContact O-N 3.23Å; L539-F542 PolarHBondContact O-N 3.5Å; L539-L543 WeakPolarHBondContact O-CB 3.41Å; L539-L543 VanDerWaalsContact O-CG 3.32Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 2.87Å
540	N	91.6	Very high	87.5	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.059	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-39.5	177.9	-73.4	-4.4	0	0	0	111.5	Q536 N537 G544 I545 F546	Q536-N540 PolarHBondContact NE2-OD1 2.95Å; Q536-N540 WeakPolarHBondContact O-CB 3.25Å; Q536-N540 VanDerWaalsContact O-CG 3.3Å; Q536-N540 PolarHBondContact O-N 2.8Å; Q536-N540 PolarHBondContact O-OD1 2.92Å; N537-N540 PolarHBondContact O-N 3.39Å; N540-G544 PolarHBondContact O-N 3.44Å; N540-I545 HydrophobicContact CB-CB 4.21Å; N540-I545 PolarHBondContact O-N 2.98Å; N540-F546 HydrophobicContact CB-CB 4.13Å; N540-F546 PolarHBondContact O-N 3.02Å
541	L	91.3	Very high	86.6	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-45.7	174.5	-178.8	66.4	0	0	0	111.7	F89 Y136 M139 F140 N537 A538 L539 G544 F546 P548	F89-L541 HydrophobicContact CD1-CD1 4.47Å; F89-L541 HydrophobicContact CE1-CD1 4.49Å; F89-L541 HydrophobicContact CE1-CD2 4.29Å; Y136-L541 HydrophobicContact CD1-CD1 4.44Å; Y136-L541 HydrophobicContact CD1-CD2 4.18Å; M139-L541 HydrophobicContact CB-CD2 4.31Å; M139-L541 HydrophobicContact CG-CD2 4.16Å; M139-L541 HydrophobicContact SD-CB 4.44Å; M139-L541 HydrophobicContact SD-CD2 4.05Å; F140-L541 HydrophobicContact CB-CD2 3.98Å; F140-L541 HydrophobicContact CD2-CD2 4.16Å; F140-L541 HydrophobicContact CD2-CG 4.05Å; N537-L541 WeakPolarHBondContact O-CB 3.49Å; N537-L541 PolarHBondContact O-N 2.88Å; A538-L541 PolarHBondContact O-N 2.82Å; L539-L541 VanDerWaalsContact C-N 3.29Å; L539-L541 PolarHBondContact O-N 3.23Å; L541-G544 PolarHBondContact O-N 2.89Å; L541-F546 HydrophobicContact CD1-CD1 4.13Å; L541-P548 HydrophobicContact CD1-CG 3.45Å; L541-P548 VanDerWaalsContact CD1-CG 3.45Å
542	F	93.1	Very high	85.5	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.022	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-40.8	-179	-177.6	-89.8	0	0	0	113.2	F140 V143 L144 F149 W178 L182 A538 L539 G544	F140-F542 HydrophobicContact CD2-CB 4.49Å; F140-F542 HydrophobicContact CD2-CD2 4.41Å; F140-F542 HydrophobicContact CE1-CD2 4.05Å; F140-F542 HydrophobicContact CE1-CE2 4.35Å; F140-F542 HydrophobicContact CE2-CB 4.23Å; F140-F542 AromaticContact CE2-CD2 3.79Å; F140-F542 HydrophobicContact CE2-CD2 3.79Å; F140-F542 HydrophobicContact CE2-CG 4.36Å; F140-F542 AromaticContact CZ-CD2 3.56Å; F140-F542 HydrophobicContact CZ-CD2 3.56Å; F140-F542 HydrophobicContact CZ-CE2 4.01Å; F140-F542 HydrophobicContact CZ-CG 4.5Å; V143-F542 HydrophobicContact CB-CB 4.03Å; V143-F542 HydrophobicContact CB-CD2 3.98Å; V143-F542 HydrophobicContact CB-CG 4.07Å; V143-F542 HydrophobicContact CG1-CB 3.79Å; V143-F542 HydrophobicContact CG1-CD1 3.93Å; V143-F542 HydrophobicContact CG1-CD2 3.74Å; V143-F542 HydrophobicContact CG1-CE1 4.47Å; V143-F542 HydrophobicContact CG1-CE2 4.29Å; V143-F542 HydrophobicContact CG1-CG 3.54Å; V143-F542 HydrophobicContact CG2-CB 4.06Å; L144-F542 HydrophobicContact CD2-CE2 3.87Å; L144-F542 HydrophobicContact CG-CE2 4.47Å; F149-F542 HydrophobicContact CZ-CZ 4.42Å; W178-F542 HydrophobicContact CB-CE1 4.39Å; W178-F542 HydrophobicContact CE3-CE1 4.49Å; L182-F542 HydrophobicContact CD1-CD2 4.21Å; L182-F542 HydrophobicContact CD1-CE1 4.39Å; L182-F542 HydrophobicContact CD1-CE2 3.57Å; L182-F542 HydrophobicContact CD1-CZ 3.67Å; A538-F542 WeakPolarHBondContact O-CB 3.31Å; A538-F542 PolarHBondContact O-N 2.81Å; L539-F542 PolarHBondContact O-N 3.5Å; F542-G544 VanDerWaalsContact C-N 3.26Å; F542-G544 PolarHBondContact O-N 2.83Å
543	L	92.3	Very high	84.2	Confident	22 Å²	22	49.8 Å²	49.8	12%	0.115	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.4	-178.2	-64.5	176.9	0	0	0	113.6	W178 K226 A229 L539 I545	W178-L543 HydrophobicContact CE3-CD2 4.03Å; W178-L543 HydrophobicContact CZ3-CD2 4.5Å; K226-L543 HydrophobicContact CB-CD1 4.39Å; K226-L543 HydrophobicContact CB-CD2 3.88Å; K226-L543 HydrophobicContact CD-CD2 4.24Å; A229-L543 HydrophobicContact CB-CD1 4.31Å; L539-L543 WeakPolarHBondContact O-CB 3.41Å; L539-L543 VanDerWaalsContact O-CG 3.32Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 2.87Å; L543-I545 VanDerWaalsContact C-N 3.29Å; L543-I545 HydrophobicContact CB-CD1 4.21Å; L543-I545 HydrophobicContact CB-CG1 4.14Å; L543-I545 HydrophobicContact CD1-CD1 4.34Å; L543-I545 PolarHBondContact O-N 2.67Å
544	G	89.7	Confident	82.9	Confident	15 Å²	15	47.1 Å²	47.1	16%	0.155	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	19.6	-177.9	0	0	0	0	0	114.1	Y181 N540 L541 F542 H547	Y181-G544 VanDerWaalsContact CD1-CA 3.44Å; N540-G544 PolarHBondContact O-N 3.44Å; L541-G544 PolarHBondContact O-N 2.89Å; F542-G544 VanDerWaalsContact C-N 3.26Å; F542-G544 PolarHBondContact O-N 2.83Å; G544-H547 PolarHBondContact O-CE1 3.31Å
545	I	88	Confident	81.2	Confident	90 Å²	90	47.9 Å²	47.9	46%	0.462	26%	0.261	S	S	.	.	S	Bend	trans	-74.2	-38	173.5	-60.1	172.2	0	0	0	109.6	N540 L543	N540-I545 HydrophobicContact CB-CB 4.21Å; N540-I545 PolarHBondContact O-N 2.98Å; L543-I545 VanDerWaalsContact C-N 3.29Å; L543-I545 HydrophobicContact CB-CD1 4.21Å; L543-I545 HydrophobicContact CB-CG1 4.14Å; L543-I545 HydrophobicContact CD1-CD1 4.34Å; L543-I545 PolarHBondContact O-N 2.67Å
546	F	87.4	Confident	79.2	Confident	48 Å²	48	53.3 Å²	53.3	21%	0.211	29%	0.287	C	S	.	.	S	Bend	trans	-111.8	126.5	174.6	174	-93	0	0	0	110.2	Y136 N540 L541 P554	Y136-F546 AromaticContact CE1-CE1 3.76Å; Y136-F546 HydrophobicContact CE1-CE1 3.76Å; Y136-F546 HydrophobicContact CE1-CZ 4.44Å; N540-F546 HydrophobicContact CB-CB 4.13Å; N540-F546 PolarHBondContact O-N 3.02Å; L541-F546 HydrophobicContact CD1-CD1 4.13Å; F546-P554 HydrophobicContact CD1-CG 4.14Å; F546-P554 HydrophobicContact CE1-CG 3.78Å; F546-P554 HydrophobicContact CE2-CB 4.48Å; F546-P554 HydrophobicContact CE2-CG 4.48Å; F546-P554 HydrophobicContact CZ-CB 4.41Å; F546-P554 HydrophobicContact CZ-CG 3.95Å
547	H	85.2	Confident	77	Confident	104 Å²	104	54 Å²	54	48%	0.481	29%	0.292	S	S	.	.			trans	-100	127.7	172.6	-63	-58.3	0	0	0	110.6	Y181 G544 L549	Y181-H547 AromaticContact CE2-CE1 3.62Å; Y181-H547 AromaticContact CZ-CE1 3.7Å; Y181-H547 AromaticContact CZ-ND1 3.85Å; Y181-H547 PolarHBondContact OH-CE1 2.79Å; Y181-H547 PolarHBondContact OH-ND1 2.69Å; Y181-H547 VanDerWaalsContact OH-ND1 3.13Å; G544-H547 PolarHBondContact O-CE1 3.31Å; H547-L549 PolarHBondContact O-N 2.72Å
548	P	84	Confident	74.6	Confident	18 Å²	18	64.3 Å²	64.3	12%	0.117	33%	0.33	C	S	.	.			trans	-55.9	132.4	177.6	-30.1	38.5	0	0	0	113.4	F89 L90 Y136 L541	F89-P548 HydrophobicContact CB-CB 4.41Å; F89-P548 HydrophobicContact CB-CG 4.25Å; F89-P548 HydrophobicContact CD1-CG 4Å; L90-P548 HydrophobicContact CD2-CB 3.97Å; Y136-P548 HydrophobicContact CD1-CB 4.24Å; Y136-P548 HydrophobicContact CD1-CG 4.09Å; Y136-P548 HydrophobicContact CD2-CB 4.07Å; Y136-P548 HydrophobicContact CE1-CB 4.03Å; Y136-P548 HydrophobicContact CE1-CG 4.2Å; Y136-P548 HydrophobicContact CE2-CB 3.82Å; Y136-P548 HydrophobicContact CG-CB 4.26Å; Y136-P548 HydrophobicContact CG-CG 4.28Å; L541-P548 HydrophobicContact CD1-CG 3.45Å; L541-P548 VanDerWaalsContact CD1-CG 3.45Å
549	L	80.1	Confident	72.2	Confident	93 Å²	93	67.9 Å²	67.9	49%	0.487	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-128.3	148.2	172.7	-67.6	170.7	0	0	0	109.3	Y136 H547 S551 K552	Y136-L549 PolarHBondContact OH-O 3.37Å; H547-L549 PolarHBondContact O-N 2.72Å; L549-S551 PolarHBondContact O-N 3.47Å; L549-K552 HydrophobicContact CB-CB 4.31Å; L549-K552 HydrophobicContact CD1-CD 4.17Å
550	V	73.1	Confident	69.6	Low	94 Å²	94	72.2 Å²	72.2	57%	0.57	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	134	174.4	-179.8	0	0	0	0	108.6	L90 K552	L90-V550 HydrophobicContact CD2-CG2 4.08Å; V550-K552 PolarHBondContact O-N 3.23Å; V550-K552 VanDerWaalsContact O-N 3.13Å
551	S	65.4	Low	67.1	Low	103 Å²	103	79.9 Å²	79.9	72%	0.72	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	0.5	179.1	73.5	0	0	0	0	118.4	L549	L549-S551 PolarHBondContact O-N 3.47Å
552	K	62.8	Low	64.3	Low	134 Å²	134	80.6 Å²	80.6	58%	0.583	42%	0.418	S	S	*	.	B	Isolated β-bridge	trans	-109	99.2	168.3	-72.1	-175.4	-179.2	-179.8	0	109.2	Y136 L549 V550	Y136-K552 PolarHBondContact OH-O 3.3Å; L549-K552 HydrophobicContact CB-CB 4.31Å; L549-K552 HydrophobicContact CD1-CD 4.17Å; V550-K552 PolarHBondContact O-N 3.23Å; V550-K552 VanDerWaalsContact O-N 3.13Å
553	L	58	Low	61.7	Low	89 Å²	89	83 Å²	83	47%	0.466	44%	0.435	S	S	.	.			trans	-60.8	154.8	160.9	-71.6	169.3	0	0	0	109	K135 T555	K135-L553 HydrophobicContact CD-CD2 3.6Å; K135-L553 VanDerWaalsContact CE-CD2 3.42Å; K135-L553 VanDerWaalsContact NZ-CD1 3.26Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 3.22Å
554	P	58.9	Low	58.7	Low	17 Å²	17	90.1 Å²	90.1	11%	0.11	47%	0.467	C	S	.	.			trans	-52	103.7	164.1	-20.5	31.3	0	0	0	107.2	Y136 M139 N537 F546	Y136-P554 HydrophobicContact CE1-CG 4.46Å; M139-P554 HydrophobicContact CE-CG 4.05Å; M139-P554 HydrophobicContact SD-CG 4.16Å; N537-P554 HydrophobicContact CB-CB 4.23Å; F546-P554 HydrophobicContact CD1-CG 4.14Å; F546-P554 HydrophobicContact CE1-CG 3.78Å; F546-P554 HydrophobicContact CE2-CB 4.48Å; F546-P554 HydrophobicContact CE2-CG 4.48Å; F546-P554 HydrophobicContact CZ-CB 4.41Å; F546-P554 HydrophobicContact CZ-CG 3.95Å
555	T	52.3	Low	56	Low	116 Å²	116	96.4 Å²	96.4	71%	0.712	49%	0.486	S	S	*	.			trans	-64.4	158.4	170.7	42.3	0	0	0	0	107.2	L553	L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 3.22Å
556	Q	46.9	Very low	53.3	Low	148 Å²	148	101.3 Å²	101.3	69%	0.692	51%	0.507	S	S	*	.			trans	-42.4	125.3	170.7	-66.6	-167.9	-21	0	0	108.3	F533 R558	F533-Q556 HydrophobicContact CE2-CB 3.94Å; F533-Q556 HydrophobicContact CE2-CG 3.67Å; F533-Q556 HydrophobicContact CZ-CB 4.2Å; F533-Q556 HydrophobicContact CZ-CG 3.74Å; Q556-R558 VanDerWaalsContact C-N 3.34Å; Q556-R558 PolarHBondContact O-N 3.03Å
557	P	43.5	Very low	50.6	Low	15 Å²	15	103.1 Å²	103.1	10%	0.097	54%	0.54	C	S	.	.			trans	-54.7	109	176.4	-21.7	30.5	0	0	0	106.1	Q536 E559 L560	Q536-P557 HydrophobicContact CG-CG 4.34Å; P557-E559 HydrophobicContact CB-CB 3.86Å; P557-E559 HydrophobicContact CB-CG 3.81Å; P557-E559 WeakPolarHBondContact CB-OE2 3.48Å; P557-E559 PolarHBondContact O-N 2.76Å; P557-L560 PolarHBondContact O-N 2.89Å
558	R	39.6	Very low	48.2	Very low	224 Å²	224	106.2 Å²	106.2	85%	0.845	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-60.4	0.3	166.2	-86.4	-173.9	170	175.5	-3.5	110.9	Q556 L560 L561 G562	Q556-R558 VanDerWaalsContact C-N 3.34Å; Q556-R558 PolarHBondContact O-N 3.03Å; R558-L560 PolarHBondContact O-N 3.36Å; R558-L561 CarbonylContact O-C 3.6Å; R558-L561 WeakPolarHBondContact O-CA 3.49Å; R558-L561 PolarHBondContact O-N 3.11Å; R558-G562 WeakPolarHBondContact O-CA 3.47Å; R558-G562 PolarHBondContact O-N 2.83Å
559	E	41.8	Very low	46	Very low	75 Å²	75	107.9 Å²	107.9	35%	0.35	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-51.7	-26.8	165.6	-60.2	-178.4	141.3	0	0	113.4	K235 P557 L561 G562	K235-E559 IonicContact NZ-OE1 3.14Å; K235-E559 PolarHBondContact NZ-OE1 3.43Å; K235-E559 IonicContact NZ-OE2 3.37Å; K235-E559 PolarHBondContact NZ-OE2 2.85Å; P557-E559 HydrophobicContact CB-CB 3.86Å; P557-E559 HydrophobicContact CB-CG 3.81Å; P557-E559 WeakPolarHBondContact CB-OE2 3.48Å; P557-E559 PolarHBondContact O-N 2.76Å; E559-L561 PolarHBondContact O-N 3.27Å; E559-G562 PolarHBondContact O-N 3.01Å; E559-G562 VanDerWaalsContact O-N 3.16Å
560	L	37.6	Very low	44.4	Very low	92 Å²	92	105.5 Å²	105.5	48%	0.482	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-63.7	-16.2	170.4	-87	164.3	0	0	0	113.5	M234 P557 R558	M234-L560 HydrophobicContact CE-CD1 3.9Å; M234-L560 HydrophobicContact CE-CG 4.33Å; M234-L560 HydrophobicContact SD-CD1 4.04Å; P557-L560 PolarHBondContact O-N 2.89Å; R558-L560 PolarHBondContact O-N 3.36Å
561	L	37.5	Very low	43.1	Very low	172 Å²	172	106.3 Å²	106.3	90%	0.901	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-124.6	11.9	172.6	-79.3	159.6	0	0	0	112	R558 E559	R558-L561 CarbonylContact O-C 3.6Å; R558-L561 WeakPolarHBondContact O-CA 3.49Å; R558-L561 PolarHBondContact O-N 3.11Å; E559-L561 PolarHBondContact O-N 3.27Å
562	G	33.4	Very low	42.5	Very low	19 Å²	19	105.7 Å²	105.7	20%	0.196	54%	0.542	C	S	.	.			trans	-141.4	71.3	-156.6	0	0	0	0	0	113.2	R558 E559 Q564	R558-G562 WeakPolarHBondContact O-CA 3.47Å; R558-G562 PolarHBondContact O-N 2.83Å; E559-G562 PolarHBondContact O-N 3.01Å; E559-G562 VanDerWaalsContact O-N 3.16Å; G562-Q564 PolarHBondContact O-N 3.33Å
563	C	37.5	Very low	42.1	Very low	56 Å²	56	104.8 Å²	104.8	38%	0.378	54%	0.543	S	S	.	.	S	Bend	trans	-63.3	-0.4	143.9	-66.9	0	0	0	0	112	I280 R565	I280-C563 HydrophobicContact CD1-CB 3.96Å; I280-C563 VanDerWaalsContact CD1-SG 3.51Å; C563-R565 PolarHBondContact O-N 2.83Å
564	Q	29.4	Very low	42.3	Very low	171 Å²	171	101.8 Å²	101.8	80%	0.799	53%	0.531	S	S	*	.			trans	-81.6	93.5	160.2	-67.9	-176.2	-4.7	0	0	109.5	G562	G562-Q564 PolarHBondContact O-N 3.33Å
565	R	32.7	Very low	42.9	Very low	147 Å²	147	103.8 Å²	103.8	56%	0.555	54%	0.541	S	S	*	.			trans	-52.9	140.3	150	-149.9	177.8	-169.7	168.4	1.7	106.9	C563 G567 R568	C563-R565 PolarHBondContact O-N 2.83Å; R565-G567 PolarHBondContact O-N 2.76Å; R565-R568 PolarHBondContact O-N 2.87Å
566	E	31.3	Very low	43.8	Very low	192 Å²	192	102.4 Å²	102.4	90%	0.897	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.1	104	170.3	-66.6	174.5	147	0	0	111.3	R568	E566-R568 PolarHBondContact O-N 3.2Å
567	G	31	Very low	45.4	Very low	87 Å²	87	96.3 Å²	96.3	90%	0.897	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	2.9	169.8	0	0	0	0	0	118.8	R565	R565-G567 PolarHBondContact O-N 2.76Å
568	R	35.3	Very low	47.2	Very low	168 Å²	168	95.8 Å²	95.8	63%	0.634	49%	0.494	S	S	*	.			trans	-93.3	100.8	167.8	-96.8	-176.5	173.2	176.4	-2.7	107.3	R565 E566 A570	R565-R568 PolarHBondContact O-N 2.87Å; E566-R568 PolarHBondContact O-N 3.2Å; R568-A570 PolarHBondContact O-N 2.85Å
569	A	38.9	Very low	49.3	Very low	53 Å²	53	85.3 Å²	85.3	44%	0.438	45%	0.454	S	S	.	.			trans	-42.6	135.7	151.1	0	0	0	0	0	106.9	N571	A569-N571 VanDerWaalsContact C-N 3.25Å; A569-N571 PolarHBondContact O-N 3.16Å; A569-N571 PolarHBondContact O-OD1 3.19Å
570	A	46.3	Very low	51.3	Low	44 Å²	44	84.7 Å²	84.7	36%	0.364	45%	0.451	S	S	.	.			trans	-55.5	100.6	172.9	0	0	0	0	0	106.4	C240 R568 F572	C240-A570 HydrophobicContact CB-CB 4.19Å; R568-A570 PolarHBondContact O-N 2.85Å; A570-F572 HydrophobicContact CB-CD2 3.84Å; A570-F572 HydrophobicContact CB-CE1 4.48Å; A570-F572 HydrophobicContact CB-CE2 3.42Å; A570-F572 VanDerWaalsContact CB-CE2 3.42Å; A570-F572 HydrophobicContact CB-CZ 3.8Å; A570-F572 WeakPolarHBondContact O-CD2 3.22Å; A570-F572 PolarHBondContact O-N 3.41Å
571	N	44.3	Very low	53.4	Low	110 Å²	110	84.6 Å²	84.6	59%	0.588	45%	0.448	S	S	*	.			trans	-69.4	82	174.2	-86.9	14	0	0	0	105.1	A569 D573	A569-N571 VanDerWaalsContact C-N 3.25Å; A569-N571 PolarHBondContact O-N 3.16Å; A569-N571 PolarHBondContact O-OD1 3.19Å; N571-D573 PolarHBondContact O-N 2.82Å
572	F	54.2	Low	54.9	Low	91 Å²	91	84.6 Å²	84.6	40%	0.399	44%	0.441	S	S	.	.			trans	-70.7	66.2	159	-60.7	-68.4	0	0	0	106.4	C304 I305 A570 A574	C304-F572 HydrophobicContact CB-CD1 3.5Å; C304-F572 VanDerWaalsContact CB-CD1 3.5Å; C304-F572 HydrophobicContact CB-CD2 4.45Å; C304-F572 HydrophobicContact CB-CE1 3.32Å; C304-F572 HydrophobicContact CB-CE2 4.3Å; C304-F572 HydrophobicContact CB-CG 4.08Å; C304-F572 HydrophobicContact CB-CZ 3.74Å; I305-F572 HydrophobicContact CG1-CE1 4.42Å; I305-F572 HydrophobicContact CG1-CZ 4.21Å; A570-F572 HydrophobicContact CB-CD2 3.84Å; A570-F572 HydrophobicContact CB-CE1 4.48Å; A570-F572 HydrophobicContact CB-CE2 3.42Å; A570-F572 VanDerWaalsContact CB-CE2 3.42Å; A570-F572 HydrophobicContact CB-CZ 3.8Å; A570-F572 WeakPolarHBondContact O-CD2 3.22Å; A570-F572 PolarHBondContact O-N 3.41Å; F572-A574 PolarHBondContact O-N 2.88Å; F572-A574 VanDerWaalsContact O-N 3.16Å
573	D	53.7	Low	56.4	Low	114 Å²	114	85.2 Å²	85.2	61%	0.61	44%	0.438	S	S	*	.			trans	-64.6	-10.6	172.2	-83.2	-25.3	0	0	0	111	N571	N571-D573 PolarHBondContact O-N 2.82Å
574	A	62	Low	57.2	Low	26 Å²	26	87.4 Å²	87.4	22%	0.215	45%	0.452	C	S	.	.	S	Bend	trans	-83.3	129.2	177.6	0	0	0	0	0	111.4	F572 Y576 Q583	F572-A574 PolarHBondContact O-N 2.88Å; F572-A574 VanDerWaalsContact O-N 3.16Å; A574-Y576 PolarHBondContact O-N 2.79Å; A574-Q583 HydrophobicContact CB-CG 4.17Å
575	D	71.1	Confident	58.4	Low	60 Å²	60	82 Å²	82	32%	0.321	43%	0.433	S	S	.	.			trans	-57.4	124.8	164	-178	-5.2	0	0	0	109.3	C577 A578 W579 Y815	D575-C577 PolarHBondContact O-N 3.39Å; D575-C577 WeakPolarHBondContact OD1-CB 3.33Å; D575-C577 PolarHBondContact OD1-N 2.95Å; D575-A578 HydrophobicContact CB-CB 4.1Å; D575-A578 CarbonylContact O-C 3.59Å; D575-A578 VanDerWaalsContact O-C 3.29Å; D575-A578 PolarHBondContact O-N 2.76Å; D575-A578 VanDerWaalsContact O-N 3.08Å; D575-W579 WeakPolarHBondContact O-CA 3.49Å; D575-W579 PolarHBondContact O-N 3.35Å; D575-Y815 PolarHBondContact OD2-OH 3.32Å
576	Y	71.5	Confident	59.4	Low	87 Å²	87	78.7 Å²	78.7	34%	0.341	43%	0.426	S	S	.	.	S	Bend	trans	-65	-21.5	178.5	67.1	-87	0	0	0	112.4	Y349 F353 A574 W579	Y349-Y576 WeakPolarHBondContact OH-CD2 3.27Å; F353-Y576 HydrophobicContact CE2-CD2 4.24Å; F353-Y576 AromaticContact CZ-CD2 3.93Å; F353-Y576 HydrophobicContact CZ-CD2 3.93Å; F353-Y576 HydrophobicContact CZ-CE2 4.02Å; A574-Y576 PolarHBondContact O-N 2.79Å; Y576-W579 VanDerWaalsContact O-CD1 3.24Å
577	C	80	Confident	60.1	Low	20 Å²	20	78.5 Å²	78.5	14%	0.135	42%	0.423	C	S	.	.	S	Bend	trans	-82.9	-25.4	172.4	-67.8	0	0	0	0	112.8	F353 D575 F580 Y815	F353-C577 WeakPolarHBondContact CB-O 3.12Å; F353-C577 HydrophobicContact CD1-CB 4.03Å; F353-C577 HydrophobicContact CE1-CB 4.21Å; F353-C577 WeakPolarHBondContact CE1-SG 3.28Å; D575-C577 PolarHBondContact O-N 3.39Å; D575-C577 WeakPolarHBondContact OD1-CB 3.33Å; D575-C577 PolarHBondContact OD1-N 2.95Å; C577-F580 WeakPolarHBondContact O-CE1 3.48Å; C577-Y815 HydrophobicContact CB-CE1 4.49Å
578	A	82.5	Confident	60.4	Low	4 Å²	4	81.9 Å²	81.9	3%	0.033	42%	0.415	C	S	.	.	S	Bend	trans	-111.2	30.4	177.3	0	0	0	0	0	111.8	D575 F580 E581	D575-A578 HydrophobicContact CB-CB 4.1Å; D575-A578 CarbonylContact O-C 3.59Å; D575-A578 VanDerWaalsContact O-C 3.29Å; D575-A578 PolarHBondContact O-N 2.76Å; D575-A578 VanDerWaalsContact O-N 3.08Å; A578-F580 PolarHBondContact O-N 3.11Å; A578-E581 HydrophobicContact CB-CG 4.29Å; A578-E581 PolarHBondContact O-N 3.32Å
579	W	83.5	Confident	60.6	Low	3 Å²	3	77 Å²	77	1%	0.011	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	-172.9	66.9	-95.5	0	0	0	113.6	A307 F310 R311 L314 L350 V354 V360 D575 Y576	A307-W579 HydrophobicContact CB-CB 3.74Å; A307-W579 HydrophobicContact CB-CD2 4.21Å; A307-W579 HydrophobicContact CB-CE3 4.28Å; A307-W579 HydrophobicContact CB-CG 4.01Å; F310-W579 HydrophobicContact CB-CE3 4.45Å; F310-W579 HydrophobicContact CB-CH2 3.92Å; F310-W579 HydrophobicContact CB-CZ3 3.5Å; R311-W579 HydrophobicContact CB-CE3 4.47Å; R311-W579 VanDerWaalsContact CB-O 3.31Å; R311-W579 WeakPolarHBondContact CB-O 3.25Å; R311-W579 VanDerWaalsContact CD-O 3.27Å; R311-W579 WeakPolarHBondContact CD-O 3.25Å; R311-W579 WeakPolarHBondContact CG-O 3.47Å; L314-W579 HydrophobicContact CD1-CH2 4.19Å; L314-W579 HydrophobicContact CD1-CZ3 3.95Å; L350-W579 HydrophobicContact CB-CZ2 3.66Å; L350-W579 HydrophobicContact CD2-CD2 4.03Å; L350-W579 HydrophobicContact CD2-CG 3.95Å; L350-W579 HydrophobicContact CG-CZ2 4.49Å; L350-W579 PolarHBondContact O-NE1 2.82Å; V354-W579 HydrophobicContact CG2-CH2 4Å; V354-W579 HydrophobicContact CG2-CZ2 3.2Å; V360-W579 HydrophobicContact CG2-CH2 4.22Å; D575-W579 WeakPolarHBondContact O-CA 3.49Å; D575-W579 PolarHBondContact O-N 3.35Å; Y576-W579 VanDerWaalsContact O-CD1 3.24Å
580	F	84.4	Confident	60.5	Low	63 Å²	63	81 Å²	81	28%	0.276	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.1	-178.8	58.1	-89.3	0	0	0	113.6	L314 F353 V354 C577 A578	L314-F580 HydrophobicContact CD1-CB 4Å; F353-F580 VanDerWaalsContact O-CE1 3.31Å; F353-F580 WeakPolarHBondContact O-CE1 3.27Å; V354-F580 HydrophobicContact CB-CD1 4.5Å; V354-F580 HydrophobicContact CG2-CB 4.06Å; V354-F580 HydrophobicContact CG2-CD1 3.54Å; V354-F580 HydrophobicContact CG2-CE1 4.22Å; V354-F580 HydrophobicContact CG2-CG 3.96Å; C577-F580 WeakPolarHBondContact O-CE1 3.48Å; A578-F580 PolarHBondContact O-N 3.11Å
581	E	80.7	Confident	60.2	Low	90 Å²	90	80.7 Å²	80.7	42%	0.421	42%	0.419	S	S	.	.	S	Bend	trans	-78.9	144.9	179.1	-63.6	-167.6	164.4	0	0	112	R311 A578 Q583	R311-E581 WeakPolarHBondContact CD-O 3.18Å; A578-E581 HydrophobicContact CB-CG 4.29Å; A578-E581 PolarHBondContact O-N 3.32Å; E581-Q583 PolarHBondContact O-N 3.39Å; E581-Q583 PolarHBondContact O-NE2 3.08Å
582	K	70.4	Confident	60.1	Low	171 Å²	171	77.5 Å²	77.5	74%	0.743	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-65.8	124.3	173.6	-71.2	-174.7	178	-178.2	0	109.3
583	Q	64.7	Low	59.4	Low	32 Å²	32	74.4 Å²	74.4	15%	0.15	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-88.2	159.2	-178.5	-65.5	-57.3	-43.8	0	0	112.3	A574 E581 S585 D586	A574-Q583 HydrophobicContact CB-CG 4.17Å; E581-Q583 PolarHBondContact O-N 3.39Å; E581-Q583 PolarHBondContact O-NE2 3.08Å; Q583-S585 PolarHBondContact O-N 3.17Å; Q583-D586 PolarHBondContact N-OD2 3.1Å; Q583-D586 WeakPolarHBondContact O-CB 3.4Å; Q583-D586 PolarHBondContact O-N 3.38Å; Q583-D586 VanDerWaalsContact O-N 3.11Å
584	P	54.5	Low	58.8	Low	102 Å²	102	71 Å²	71	66%	0.662	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.2	-38.5	172.7	-22	32.2	0	0	0	112.5	D586 K587	P584-D586 PolarHBondContact O-N 3.4Å; P584-K587 WeakPolarHBondContact O-CB 3Å; P584-K587 PolarHBondContact O-N 3.2Å; P584-K587 VanDerWaalsContact O-N 3.08Å
585	S	53.3	Low	57.5	Low	58 Å²	58	76.6 Å²	76.6	41%	0.406	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-65.2	-23.7	177.4	54.2	0	0	0	0	113.6	Q583 K587 E588	Q583-S585 PolarHBondContact O-N 3.17Å; S585-K587 PolarHBondContact O-N 2.92Å; S585-E588 PolarHBondContact O-N 2.8Å; S585-E588 VanDerWaalsContact O-N 3.07Å
586	D	54.5	Low	56.1	Low	77 Å²	77	75.1 Å²	75.1	41%	0.412	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-66	-20.4	174	-64.8	-34.5	0	0	0	111.8	Q583 P584	Q583-D586 PolarHBondContact N-OD2 3.1Å; Q583-D586 WeakPolarHBondContact O-CB 3.4Å; Q583-D586 PolarHBondContact O-N 3.38Å; Q583-D586 VanDerWaalsContact O-N 3.11Å; P584-D586 PolarHBondContact O-N 3.4Å
587	K	46.4	Very low	54.6	Low	188 Å²	188	72.1 Å²	72.1	82%	0.817	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-82.5	-16.1	174.4	-62.6	-176.9	178.4	176.9	0	113.4	P584 S585 A589	P584-K587 WeakPolarHBondContact O-CB 3Å; P584-K587 PolarHBondContact O-N 3.2Å; P584-K587 VanDerWaalsContact O-N 3.08Å; S585-K587 PolarHBondContact O-N 2.92Å; K587-A589 VanDerWaalsContact C-N 3.34Å; K587-A589 PolarHBondContact O-N 3.48Å
588	E	36.9	Very low	52.5	Low	158 Å²	158	78.6 Å²	78.6	74%	0.738	42%	0.418	S	S	*	.			trans	-90.3	14.7	-174	-84.8	-169.2	173	0	0	114.4	S585 I590	S585-E588 PolarHBondContact O-N 2.8Å; S585-E588 VanDerWaalsContact O-N 3.07Å; E588-I590 PolarHBondContact O-N 3.44Å
589	A	39.9	Very low	50.2	Low	66 Å²	66	82.9 Å²	82.9	55%	0.545	45%	0.448	S	S	.	.	S	Bend	trans	-64.3	87.3	155.4	0	0	0	0	0	107.1	K587 S591	K587-A589 VanDerWaalsContact C-N 3.34Å; K587-A589 PolarHBondContact O-N 3.48Å; A589-S591 PolarHBondContact O-N 3.3Å
590	I	36.4	Very low	47.8	Very low	138 Å²	138	87.8 Å²	87.8	71%	0.708	47%	0.469	S	S	*	.			trans	-40.5	106.4	-179.3	-62.3	169.8	0	0	0	107.1	E588 I592	E588-I590 PolarHBondContact O-N 3.44Å; I590-I592 HydrophobicContact CB-CG1 4.39Å; I590-I592 HydrophobicContact CG2-CG1 3.7Å; I590-I592 PolarHBondContact O-N 2.67Å
591	S	39.6	Very low	45.3	Very low	37 Å²	37	89.7 Å²	89.7	26%	0.259	49%	0.491	S	S	.	.			trans	-70.4	83.5	168.5	-177	0	0	0	0	107.1	E171 A589 V593 S594	E171-S591 PolarHBondContact OE1-OG 2.72Å; A589-S591 PolarHBondContact O-N 3.3Å; S591-V593 PolarHBondContact O-N 2.88Å; S591-S594 WeakPolarHBondContact CB-OG 3.43Å; S591-S594 PolarHBondContact O-N 3.44Å; S591-S594 VanDerWaalsContact OG-CB 3.32Å; S591-S594 WeakPolarHBondContact OG-CB 3.49Å; S591-S594 PolarHBondContact OG-N 3.25Å; S591-S594 PolarHBondContact OG-OG 3.35Å
592	I	42.6	Very low	43.3	Very low	42 Å²	42	91 Å²	91	22%	0.215	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.8	171	-52.7	178.5	0	0	0	108.5	E184 I187 R188 I590	E184-I592 HydrophobicContact CG-CD1 4.05Å; E184-I592 WeakPolarHBondContact OE1-CD1 3.43Å; I187-I592 HydrophobicContact CB-CG2 4.02Å; I187-I592 HydrophobicContact CG2-CB 4.35Å; I187-I592 HydrophobicContact CG2-CG2 3.53Å; I187-I592 WeakPolarHBondContact CG2-O 3.5Å; R188-I592 HydrophobicContact CG-CG2 4.3Å; I590-I592 HydrophobicContact CB-CG1 4.39Å; I590-I592 HydrophobicContact CG2-CG1 3.7Å; I590-I592 PolarHBondContact O-N 2.67Å
593	V	39.7	Very low	41.7	Very low	26 Å²	26	85.4 Å²	85.4	16%	0.158	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-38.8	-178.8	-172.9	0	0	0	0	112.8	I187 S591 N595 V596 V597	I187-V593 HydrophobicContact CD1-CG2 4.46Å; S591-V593 PolarHBondContact O-N 2.88Å; V593-N595 PolarHBondContact O-N 3.41Å; V593-V596 PolarHBondContact O-N 3.47Å; V593-V597 HydrophobicContact CG1-CG2 3.76Å; V593-V597 WeakPolarHBondContact O-CG2 3.15Å; V593-V597 PolarHBondContact O-N 2.87Å
594	S	40.9	Very low	40.6	Very low	44 Å²	44	86.5 Å²	86.5	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-41.3	-176.2	-51.6	0	0	0	0	111.8	E171 S591 V596 V597	E171-S594 PolarHBondContact OE1-OG 3.48Å; S591-S594 WeakPolarHBondContact CB-OG 3.43Å; S591-S594 PolarHBondContact O-N 3.44Å; S591-S594 VanDerWaalsContact OG-CB 3.32Å; S591-S594 WeakPolarHBondContact OG-CB 3.49Å; S591-S594 PolarHBondContact OG-N 3.25Å; S591-S594 PolarHBondContact OG-OG 3.35Å; S594-V596 PolarHBondContact O-N 3.37Å; S594-V597 PolarHBondContact O-N 3.02Å
595	N	34.9	Very low	40.1	Very low	142 Å²	142	86.9 Å²	86.9	76%	0.759	49%	0.493	S	S	*	.	H	α-helix	trans	-68.9	-17.6	-174.2	-73.8	-13.5	0	0	0	114.2	V593	V593-N595 PolarHBondContact O-N 3.41Å
596	V	40.9	Very low	39.8	Very low	29 Å²	29	86.5 Å²	86.5	18%	0.176	49%	0.494	C	S	.	.	H	α-helix	trans	-98.7	-25.1	179.7	-179.3	0	0	0	0	111.5	I187 V593 S594 F600	I187-V596 HydrophobicContact CG2-CG2 4.33Å; V593-V596 PolarHBondContact O-N 3.47Å; S594-V596 PolarHBondContact O-N 3.37Å; V596-F600 HydrophobicContact CG1-CE2 4.18Å; V596-F600 WeakPolarHBondContact O-CD2 3.44Å
597	V	40	Very low	39.5	Very low	24 Å²	24	87 Å²	87	15%	0.145	49%	0.493	C	S	.	.	H	α-helix	trans	-80.7	-22.9	-168.4	169.2	0	0	0	0	113.8	K170 P193 V593 S594 S599	K170-V597 HydrophobicContact CD-CG1 3.52Å; P193-V597 HydrophobicContact CG-CG2 4.32Å; V593-V597 HydrophobicContact CG1-CG2 3.76Å; V593-V597 WeakPolarHBondContact O-CG2 3.15Å; V593-V597 PolarHBondContact O-N 2.87Å; S594-V597 PolarHBondContact O-N 3.02Å; V597-S599 PolarHBondContact O-N 2.71Å
598	D	36.2	Very low	39.6	Very low	156 Å²	156	81.1 Å²	81.1	83%	0.834	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.9	178.5	-79.9	-13.5	0	0	0	113.5
599	S	34.4	Very low	40.3	Very low	94 Å²	94	76.9 Å²	76.9	66%	0.657	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-4.6	-173.7	-40.7	0	0	0	0	115.7	V597	V597-S599 PolarHBondContact O-N 2.71Å
600	F	31.5	Very low	40.8	Very low	106 Å²	106	73.8 Å²	73.8	47%	0.465	43%	0.432	S	S	.	.	S	Bend	trans	-117.1	132	-171.3	-68.5	-79.7	0	0	0	114.4	V596	V596-F600 HydrophobicContact CG1-CE2 4.18Å; V596-F600 WeakPolarHBondContact O-CD2 3.44Å
601	S	33.5	Very low	41.6	Very low	104 Å²	104	69 Å²	69	73%	0.727	41%	0.41	S	S	*	.			trans	-41.6	146.3	169.4	-173.5	0	0	0	0	112.4	V603	S601-V603 PolarHBondContact O-N 2.78Å
602	P	37.5	Very low	42.1	Very low	116 Å²	116	70.3 Å²	70.3	75%	0.753	42%	0.419	S	S	*	.			trans	-54.2	113	-171	20.1	-33.4	0	0	0	111.5
603	V	38.2	Very low	42.6	Very low	55 Å²	55	70.8 Å²	70.8	33%	0.333	42%	0.418	S	S	.	.			trans	-45	133.3	163.6	175.9	0	0	0	0	107.4	Q194 S601 D605	Q194-V603 HydrophobicContact CG-CG1 4.16Å; S601-V603 PolarHBondContact O-N 2.78Å; V603-D605 PolarHBondContact O-N 3.48Å
604	P	39.9	Very low	43.1	Very low	55 Å²	55	75 Å²	75	36%	0.357	43%	0.432	S	S	.	.			trans	-49.2	131.2	177.9	-22.9	30.5	0	0	0	108.9	A606	P604-A606 PolarHBondContact O-N 2.9Å
605	D	45.1	Very low	43.6	Very low	109 Å²	109	77.9 Å²	77.9	58%	0.583	44%	0.437	S	S	*	.			trans	-36.3	128.2	180	-176.4	-3.4	0	0	0	109.4	V603 H607 S608 L609	V603-D605 PolarHBondContact O-N 3.48Å; D605-H607 HydrophobicContact CB-CB 4.39Å; D605-H607 VanDerWaalsContact CG-CB 3.41Å; D605-H607 CarbonylContact O-C 3.59Å; D605-H607 PolarHBondContact O-N 3.45Å; D605-H607 VanDerWaalsContact OD1-CB 3.3Å; D605-H607 WeakPolarHBondContact OD1-CB 3.41Å; D605-H607 PolarHBondContact OD1-N 3.37Å; D605-H607 VanDerWaalsContact OD2-CB 3.31Å; D605-H607 WeakPolarHBondContact OD2-CB 3.4Å; D605-S608 WeakPolarHBondContact O-CA 3.45Å; D605-S608 VanDerWaalsContact O-CB 3.28Å; D605-S608 WeakPolarHBondContact O-CB 3.4Å; D605-S608 PolarHBondContact O-N 3.03Å; D605-L609 PolarHBondContact O-N 2.84Å; D605-L609 VanDerWaalsContact O-N 3.16Å
606	A	46.4	Very low	44.4	Very low	50 Å²	50	74.1 Å²	74.1	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-50.4	-29	175.7	0	0	0	0	0	110.6	P604 A610	P604-A606 PolarHBondContact O-N 2.9Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 3.27Å
607	H	48	Very low	44.6	Very low	87 Å²	87	78.4 Å²	78.4	40%	0.403	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-41.2	169.8	-157.4	-71.7	0	0	0	113.6	Y109 D605 V611	Y109-H607 AromaticContact CE2-NE2 3.99Å; D605-H607 HydrophobicContact CB-CB 4.39Å; D605-H607 VanDerWaalsContact CG-CB 3.41Å; D605-H607 CarbonylContact O-C 3.59Å; D605-H607 PolarHBondContact O-N 3.45Å; D605-H607 VanDerWaalsContact OD1-CB 3.3Å; D605-H607 WeakPolarHBondContact OD1-CB 3.41Å; D605-H607 PolarHBondContact OD1-N 3.37Å; D605-H607 VanDerWaalsContact OD2-CB 3.31Å; D605-H607 WeakPolarHBondContact OD2-CB 3.4Å; H607-V611 WeakPolarHBondContact ND1-CG2 3.33Å; H607-V611 WeakPolarHBondContact O-CB 3.43Å; H607-V611 WeakPolarHBondContact O-CG2 3.47Å; H607-V611 PolarHBondContact O-N 3.37Å
608	S	50.1	Low	45	Very low	65 Å²	65	83.6 Å²	83.6	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-44.7	176	-173.2	0	0	0	0	112	D605 V611 S612	D605-S608 WeakPolarHBondContact O-CA 3.45Å; D605-S608 VanDerWaalsContact O-CB 3.28Å; D605-S608 WeakPolarHBondContact O-CB 3.4Å; D605-S608 PolarHBondContact O-N 3.03Å; S608-V611 PolarHBondContact O-N 3.13Å; S608-S612 VanDerWaalsContact O-CB 3.26Å; S608-S612 WeakPolarHBondContact O-CB 3.48Å; S608-S612 PolarHBondContact O-N 2.62Å; S608-S612 PolarHBondContact O-OG 2.79Å
609	L	50.6	Low	45.8	Very low	69 Å²	69	79.4 Å²	79.4	36%	0.361	44%	0.436	S	S	.	.	H	α-helix	trans	-62.6	-47.4	174.1	-85.3	162	0	0	0	111	T154 D605 V611 S612 Y613	T154-L609 HydrophobicContact CG2-CB 3.8Å; D605-L609 PolarHBondContact O-N 2.84Å; D605-L609 VanDerWaalsContact O-N 3.16Å; L609-V611 PolarHBondContact O-N 3.2Å; L609-S612 PolarHBondContact O-N 3.38Å; L609-S612 PolarHBondContact O-OG 3.48Å; L609-Y613 WeakPolarHBondContact O-CB 2.92Å; L609-Y613 PolarHBondContact O-N 3.35Å
610	A	51.4	Low	46.2	Very low	1 Å²	1	78.2 Å²	78.2	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-41.5	178	0	0	0	0	0	111.9	T154 A606 Y613 Y614	T154-A610 HydrophobicContact CG2-CB 4.41Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 3.27Å; A610-Y613 PolarHBondContact O-N 3.36Å; A610-Y614 WeakPolarHBondContact O-CA 3.47Å; A610-Y614 WeakPolarHBondContact O-CB 3.2Å; A610-Y614 PolarHBondContact O-N 3.11Å
611	V	52	Low	47	Very low	39 Å²	39	78.5 Å²	78.5	24%	0.236	43%	0.433	C	S	.	.	H	α-helix	trans	-63.8	-46.7	173.1	164.3	0	0	0	0	110.7	H607 S608 L609 Y613 Y614 Y615	H607-V611 WeakPolarHBondContact ND1-CG2 3.33Å; H607-V611 WeakPolarHBondContact O-CB 3.43Å; H607-V611 WeakPolarHBondContact O-CG2 3.47Å; H607-V611 PolarHBondContact O-N 3.37Å; S608-V611 PolarHBondContact O-N 3.13Å; L609-V611 PolarHBondContact O-N 3.2Å; V611-Y613 VanDerWaalsContact C-N 3.3Å; V611-Y613 PolarHBondContact O-N 3.18Å; V611-Y614 PolarHBondContact O-N 3.25Å; V611-Y615 HydrophobicContact CB-CD2 4.12Å; V611-Y615 HydrophobicContact CG1-CD2 3.63Å; V611-Y615 HydrophobicContact CG1-CE2 4.19Å; V611-Y615 HydrophobicContact CG2-CD2 4.31Å; V611-Y615 HydrophobicContact CG2-CE2 4.21Å; V611-Y615 VanDerWaalsContact O-CB 3.29Å; V611-Y615 WeakPolarHBondContact O-CB 3.33Å; V611-Y615 WeakPolarHBondContact O-CD2 3.46Å; V611-Y615 PolarHBondContact O-N 2.89Å
612	S	51	Low	47.7	Very low	63 Å²	63	79.5 Å²	79.5	44%	0.441	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-37.1	-179.6	74.3	0	0	0	0	112.3	S608 L609 K616	S608-S612 VanDerWaalsContact O-CB 3.26Å; S608-S612 WeakPolarHBondContact O-CB 3.48Å; S608-S612 PolarHBondContact O-N 2.62Å; S608-S612 PolarHBondContact O-OG 2.79Å; L609-S612 PolarHBondContact O-N 3.38Å; L609-S612 PolarHBondContact O-OG 3.48Å; S612-K616 VanDerWaalsContact O-CA 3.25Å; S612-K616 WeakPolarHBondContact O-CA 3.23Å; S612-K616 PolarHBondContact O-N 3.45Å; S612-K616 VanDerWaalsContact O-N 3.08Å
613	Y	52.8	Low	48.1	Very low	52 Å²	52	81.6 Å²	81.6	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-76.1	-40.3	175.7	-177.3	-91.4	0	0	0	112.5	A111 F113 L609 A610 V611 K616	A111-Y613 HydrophobicContact CB-CD1 3.99Å; A111-Y613 HydrophobicContact CB-CE1 3.39Å; F113-Y613 HydrophobicContact CZ-CE1 4.29Å; F113-Y613 AromaticContact CZ-CE2 3.83Å; F113-Y613 HydrophobicContact CZ-CE2 3.83Å; F113-Y613 AromaticContact CZ-CZ 3.51Å; F113-Y613 WeakPolarHBondContact CZ-OH 3.02Å; L609-Y613 WeakPolarHBondContact O-CB 2.92Å; L609-Y613 PolarHBondContact O-N 3.35Å; A610-Y613 PolarHBondContact O-N 3.36Å; V611-Y613 VanDerWaalsContact C-N 3.3Å; V611-Y613 PolarHBondContact O-N 3.18Å; Y613-K616 WeakPolarHBondContact O-CG 3.38Å
614	Y	50.2	Low	48.7	Very low	115 Å²	115	85.2 Å²	85.2	45%	0.451	44%	0.441	S	S	.	.	H	α-helix	trans	-72.9	-47.1	-178.2	-173.8	-89.9	0	0	0	111.6	Y109 A610 V611	Y109-Y614 HydrophobicContact CD1-CD2 4.47Å; Y109-Y614 HydrophobicContact CD1-CG 4.33Å; A610-Y614 WeakPolarHBondContact O-CA 3.47Å; A610-Y614 WeakPolarHBondContact O-CB 3.2Å; A610-Y614 PolarHBondContact O-N 3.11Å; V611-Y614 PolarHBondContact O-N 3.25Å
615	Y	51.3	Low	49.1	Very low	105 Å²	105	86.6 Å²	86.6	41%	0.412	44%	0.443	S	S	.	.	H	α-helix	trans	-86.3	-12.7	-177.9	-69.4	-81.8	0	0	0	113.4	V611 I617 L620	V611-Y615 HydrophobicContact CB-CD2 4.12Å; V611-Y615 HydrophobicContact CG1-CD2 3.63Å; V611-Y615 HydrophobicContact CG1-CE2 4.19Å; V611-Y615 HydrophobicContact CG2-CD2 4.31Å; V611-Y615 HydrophobicContact CG2-CE2 4.21Å; V611-Y615 VanDerWaalsContact O-CB 3.29Å; V611-Y615 WeakPolarHBondContact O-CB 3.33Å; V611-Y615 WeakPolarHBondContact O-CD2 3.46Å; V611-Y615 PolarHBondContact O-N 2.89Å; Y615-I617 WeakPolarHBondContact O-CA 3.47Å; Y615-I617 PolarHBondContact O-N 3.09Å; Y615-L620 VanDerWaalsContact O-CD1 3.31Å; Y615-L620 WeakPolarHBondContact O-CD1 3.49Å; Y615-L620 VanDerWaalsContact O-CG 3.31Å; Y615-L620 WeakPolarHBondContact O-CG 3.36Å
616	K	52.3	Low	49.1	Very low	63 Å²	63	85 Å²	85	27%	0.274	43%	0.434	S	S	.	.			trans	22.2	65.1	-175.3	-60.8	-165.6	-178.7	176.9	0	111.8	S612 Y613 M618 D619 L620	S612-K616 VanDerWaalsContact O-CA 3.25Å; S612-K616 WeakPolarHBondContact O-CA 3.23Å; S612-K616 PolarHBondContact O-N 3.45Å; S612-K616 VanDerWaalsContact O-N 3.08Å; Y613-K616 WeakPolarHBondContact O-CG 3.38Å; K616-M618 PolarHBondContact O-N 3.35Å; K616-D619 HydrophobicContact CB-CB 3.93Å; K616-D619 WeakPolarHBondContact CD-OD2 3.31Å; K616-D619 WeakPolarHBondContact O-CA 3.45Å; K616-D619 WeakPolarHBondContact O-CB 3.42Å; K616-D619 PolarHBondContact O-N 3.02Å; K616-L620 PolarHBondContact O-N 2.74Å
617	I	43.9	Very low	49.1	Very low	119 Å²	119	88.3 Å²	88.3	61%	0.61	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.6	-164.6	-61.7	167.2	0	0	0	112.4	Y615 L620	Y615-I617 WeakPolarHBondContact O-CA 3.47Å; Y615-I617 PolarHBondContact O-N 3.09Å; I617-L620 HydrophobicContact CB-CD1 4.44Å; I617-L620 HydrophobicContact CG1-CD1 4.37Å; I617-L620 WeakPolarHBondContact O-CB 3.25Å; I617-L620 PolarHBondContact O-N 2.74Å
618	M	49.5	Very low	48.8	Very low	132 Å²	132	85.6 Å²	85.6	65%	0.65	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-31	174.6	-69.1	-112.2	54.4	0	0	114.2	K616 L620 T621	K616-M618 PolarHBondContact O-N 3.35Å; M618-L620 VanDerWaalsContact C-N 3.28Å; M618-T621 WeakPolarHBondContact O-CG2 3.03Å; M618-T621 PolarHBondContact O-OG1 2.83Å
619	D	51.5	Low	48.3	Very low	68 Å²	68	88.3 Å²	88.3	36%	0.364	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-81	-9.2	174.2	-62.1	-5.4	0	0	0	111.6	K616 T621	K616-D619 HydrophobicContact CB-CB 3.93Å; K616-D619 WeakPolarHBondContact CD-OD2 3.31Å; K616-D619 WeakPolarHBondContact O-CA 3.45Å; K616-D619 WeakPolarHBondContact O-CB 3.42Å; K616-D619 PolarHBondContact O-N 3.02Å; D619-T621 PolarHBondContact O-N 3.31Å
620	L	43.9	Very low	47.9	Very low	69 Å²	69	88.4 Å²	88.4	36%	0.361	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-78.6	11.5	172.8	-60.6	177.9	0	0	0	112.7	Y615 K616 I617 M618 E622 I626	Y615-L620 VanDerWaalsContact O-CD1 3.31Å; Y615-L620 WeakPolarHBondContact O-CD1 3.49Å; Y615-L620 VanDerWaalsContact O-CG 3.31Å; Y615-L620 WeakPolarHBondContact O-CG 3.36Å; K616-L620 PolarHBondContact O-N 2.74Å; I617-L620 HydrophobicContact CB-CD1 4.44Å; I617-L620 HydrophobicContact CG1-CD1 4.37Å; I617-L620 WeakPolarHBondContact O-CB 3.25Å; I617-L620 PolarHBondContact O-N 2.74Å; M618-L620 VanDerWaalsContact C-N 3.28Å; L620-E622 VanDerWaalsContact C-N 3.27Å; L620-E622 PolarHBondContact O-N 3.37Å; L620-I626 HydrophobicContact CB-CD1 4Å; L620-I626 HydrophobicContact CD2-CD1 3.82Å; L620-I626 HydrophobicContact CD2-CG1 3.79Å; L620-I626 HydrophobicContact CG-CD1 4.43Å
621	T	48.7	Very low	47	Very low	113 Å²	113	96.4 Å²	96.4	69%	0.693	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-75.1	-9.6	-172.3	35.8	0	0	0	0	114.8	M618 D619	M618-T621 WeakPolarHBondContact O-CG2 3.03Å; M618-T621 PolarHBondContact O-OG1 2.83Å; D619-T621 PolarHBondContact O-N 3.31Å
622	E	47.2	Very low	46	Very low	125 Å²	125	104 Å²	104	58%	0.584	50%	0.5	S	S	*	.			trans	-115.7	109.3	166.4	-71.8	-176.3	178.4	0	0	109.5	L620 D624 E625 I626	L620-E622 VanDerWaalsContact C-N 3.27Å; L620-E622 PolarHBondContact O-N 3.37Å; E622-D624 PolarHBondContact O-N 3.21Å; E622-D624 VanDerWaalsContact O-N 3.13Å; E622-E625 HydrophobicContact CB-CB 4.34Å; E622-E625 HydrophobicContact CB-CG 4.28Å; E622-E625 WeakPolarHBondContact O-CA 3.46Å; E622-E625 WeakPolarHBondContact O-CB 3.32Å; E622-E625 PolarHBondContact O-N 3.27Å; E622-I626 PolarHBondContact O-N 2.99Å
623	F	46.6	Very low	45	Very low	159 Å²	159	111 Å²	111	70%	0.697	52%	0.517	S	S	*	.	H	α-helix	trans	-52.2	-31.7	174.3	-169.6	-99.5	0	0	0	111.6	I626 M627	F623-I626 PolarHBondContact O-N 3.42Å; F623-M627 PolarHBondContact O-N 2.81Å
624	D	51.2	Low	44.1	Very low	132 Å²	132	112.4 Å²	112.4	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-67.6	-30.1	173.3	-66.2	-36.1	0	0	0	113.4	E622 G628	E622-D624 PolarHBondContact O-N 3.21Å; E622-D624 VanDerWaalsContact O-N 3.13Å; D624-G628 VanDerWaalsContact O-CA 3.25Å; D624-G628 WeakPolarHBondContact O-CA 3.36Å; D624-G628 PolarHBondContact O-N 2.82Å
625	E	48.1	Very low	43.2	Very low	83 Å²	83	109.2 Å²	109.2	39%	0.388	52%	0.522	S	S	.	.	H	α-helix	trans	-73.8	-32.9	171.7	-82.9	-153.4	173.8	0	0	112.2	E622 M627 G628 R629	E622-E625 HydrophobicContact CB-CB 4.34Å; E622-E625 HydrophobicContact CB-CG 4.28Å; E622-E625 WeakPolarHBondContact O-CA 3.46Å; E622-E625 WeakPolarHBondContact O-CB 3.32Å; E622-E625 PolarHBondContact O-N 3.27Å; E625-M627 VanDerWaalsContact C-N 3.34Å; E625-G628 PolarHBondContact O-N 3.34Å; E625-R629 WeakPolarHBondContact O-CA 3.38Å; E625-R629 WeakPolarHBondContact O-CB 3.49Å; E625-R629 WeakPolarHBondContact O-CG 3.35Å; E625-R629 PolarHBondContact O-N 3.08Å; E625-R629 IonicContact OE2-CZ 2.74Å; E625-R629 IonicContact OE2-NE 3.36Å; E625-R629 PolarHBondContact OE2-NE 3.28Å; E625-R629 VanDerWaalsContact OE2-NE 3.15Å; E625-R629 IonicContact OE2-NH2 3.97Å; E625-R629 PolarHBondContact OE2-NH2 3.39Å
626	I	45.1	Very low	42.2	Very low	77 Å²	77	109 Å²	109	40%	0.395	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-44.2	177.5	-60.5	175.2	0	0	0	109.9	L620 E622 F623	L620-I626 HydrophobicContact CB-CD1 4Å; L620-I626 HydrophobicContact CD2-CD1 3.82Å; L620-I626 HydrophobicContact CD2-CG1 3.79Å; L620-I626 HydrophobicContact CG-CD1 4.43Å; E622-I626 PolarHBondContact O-N 2.99Å; F623-I626 PolarHBondContact O-N 3.42Å
627	M	46.5	Very low	41.5	Very low	118 Å²	118	110.7 Å²	110.7	58%	0.581	55%	0.547	S	S	*	.	H	α-helix	trans	-75	-39.4	175.6	-65	-62.7	-79.4	0	0	111.4	F623 E625 S630 Y631	F623-M627 PolarHBondContact O-N 2.81Å; E625-M627 VanDerWaalsContact C-N 3.34Å; M627-S630 WeakPolarHBondContact O-CB 3.32Å; M627-S630 PolarHBondContact O-N 3.03Å; M627-Y631 WeakPolarHBondContact O-CD2 3.39Å
628	G	41.3	Very low	40.9	Very low	31 Å²	31	108.5 Å²	108.5	32%	0.32	54%	0.541	S	S	.	.	H	α-helix	trans	-71.2	-29.6	-179.7	0	0	0	0	0	114.5	D624 E625 S630 Y631 R632	D624-G628 VanDerWaalsContact O-CA 3.25Å; D624-G628 WeakPolarHBondContact O-CA 3.36Å; D624-G628 PolarHBondContact O-N 2.82Å; E625-G628 PolarHBondContact O-N 3.34Å; G628-S630 VanDerWaalsContact C-N 3.32Å; G628-Y631 CarbonylContact O-C 3.47Å; G628-Y631 WeakPolarHBondContact O-CA 3.25Å; G628-Y631 WeakPolarHBondContact O-CB 3.08Å; G628-Y631 PolarHBondContact O-N 3.1Å; G628-R632 PolarHBondContact O-N 3.26Å
629	R	38.3	Very low	39.8	Very low	121 Å²	121	110 Å²	110	46%	0.457	55%	0.547	S	S	.	.	H	α-helix	trans	-68.9	-32.2	175.5	-79.9	176	-173.6	-156.7	5.6	111.8	E625 Y631 W633	E625-R629 WeakPolarHBondContact O-CA 3.38Å; E625-R629 WeakPolarHBondContact O-CB 3.49Å; E625-R629 WeakPolarHBondContact O-CG 3.35Å; E625-R629 PolarHBondContact O-N 3.08Å; E625-R629 IonicContact OE2-CZ 2.74Å; E625-R629 IonicContact OE2-NE 3.36Å; E625-R629 PolarHBondContact OE2-NE 3.28Å; E625-R629 VanDerWaalsContact OE2-NE 3.15Å; E625-R629 IonicContact OE2-NH2 3.97Å; E625-R629 PolarHBondContact OE2-NH2 3.39Å; R629-Y631 VanDerWaalsContact C-N 3.29Å; R629-W633 PolarHBondContact O-N 3.04Å
630	S	42.9	Very low	38.7	Very low	72 Å²	72	110.7 Å²	110.7	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-59.4	-45.5	167.5	-156.3	0	0	0	0	109.6	M627 G628 I634	M627-S630 WeakPolarHBondContact O-CB 3.32Å; M627-S630 PolarHBondContact O-N 3.03Å; G628-S630 VanDerWaalsContact C-N 3.32Å; S630-I634 VanDerWaalsContact O-CB 3.25Å; S630-I634 WeakPolarHBondContact O-CB 3.23Å; S630-I634 WeakPolarHBondContact O-CD1 3.37Å; S630-I634 WeakPolarHBondContact O-CG1 3.5Å; S630-I634 PolarHBondContact O-N 3.14Å; S630-I634 VanDerWaalsContact O-N 3.16Å
631	Y	32.1	Very low	38.1	Very low	169 Å²	169	111.3 Å²	111.3	66%	0.663	56%	0.563	S	S	*	*	H	α-helix	trans	-71.3	-37.6	178.3	-81.5	-81.5	0	0	0	115.1	M627 G628 R629 I634 S635	M627-Y631 WeakPolarHBondContact O-CD2 3.39Å; G628-Y631 CarbonylContact O-C 3.47Å; G628-Y631 WeakPolarHBondContact O-CA 3.25Å; G628-Y631 WeakPolarHBondContact O-CB 3.08Å; G628-Y631 PolarHBondContact O-N 3.1Å; R629-Y631 VanDerWaalsContact C-N 3.29Å; Y631-I634 CarbonylContact O-C 3.53Å; Y631-I634 PolarHBondContact O-N 2.75Å; Y631-S635 VanDerWaalsContact O-CB 3.27Å; Y631-S635 WeakPolarHBondContact O-CB 3.21Å; Y631-S635 PolarHBondContact O-N 2.8Å
632	R	32.6	Very low	37	Very low	197 Å²	197	113.9 Å²	113.9	74%	0.743	57%	0.573	S	S	*	*	H	α-helix	trans	-71.6	-37	-175	-153	169.6	-178.5	159.2	-0.2	111.9	G628 S635 T636	G628-R632 PolarHBondContact O-N 3.26Å; R632-S635 PolarHBondContact O-N 3.16Å; R632-S635 PolarHBondContact O-OG 3.4Å; R632-T636 PolarHBondContact O-N 3.29Å; R632-T636 PolarHBondContact O-OG1 2.92Å; R632-T636 VanDerWaalsContact O-OG1 3.09Å
633	W	29.9	Very low	36.2	Very low	211 Å²	211	111.3 Å²	111.3	80%	0.799	57%	0.568	S	S	*	*	H	α-helix	trans	-75.6	-27.1	171.4	-75.2	75.7	0	0	0	113	R629	R629-W633 PolarHBondContact O-N 3.04Å
634	I	33.8	Very low	35.5	Very low	81 Å²	81	115.8 Å²	115.8	42%	0.415	58%	0.581	S	S	.	*	H	α-helix	trans	-71.7	-33.3	169.1	-71.9	167.4	0	0	0	110.8	S630 Y631 V637 C638	S630-I634 VanDerWaalsContact O-CB 3.25Å; S630-I634 WeakPolarHBondContact O-CB 3.23Å; S630-I634 WeakPolarHBondContact O-CD1 3.37Å; S630-I634 WeakPolarHBondContact O-CG1 3.5Å; S630-I634 PolarHBondContact O-N 3.14Å; S630-I634 VanDerWaalsContact O-N 3.16Å; Y631-I634 CarbonylContact O-C 3.53Å; Y631-I634 PolarHBondContact O-N 2.75Å; I634-V637 PolarHBondContact O-N 3.11Å; I634-C638 PolarHBondContact O-N 2.99Å; I634-C638 PolarHBondContact O-SG 3.15Å
635	S	30.9	Very low	34.5	Very low	48 Å²	48	114 Å²	114	34%	0.336	58%	0.575	S	S	.	*	H	α-helix	trans	-75.1	-31.8	-176.1	76	0	0	0	0	114.1	Y631 R632 V637 C638 H639	Y631-S635 VanDerWaalsContact O-CB 3.27Å; Y631-S635 WeakPolarHBondContact O-CB 3.21Å; Y631-S635 PolarHBondContact O-N 2.8Å; R632-S635 PolarHBondContact O-N 3.16Å; R632-S635 PolarHBondContact O-OG 3.4Å; S635-V637 PolarHBondContact O-N 3.37Å; S635-C638 PolarHBondContact O-N 2.7Å; S635-H639 PolarHBondContact O-N 3.33Å; S635-H639 VanDerWaalsContact O-N 3.11Å
636	T	30.8	Very low	33.6	Very low	100 Å²	100	114.4 Å²	114.4	61%	0.613	59%	0.585	S	S	*	*	H	α-helix	trans	-68.7	-25.2	174.8	-32.2	0	0	0	0	112	R632 S640	R632-T636 PolarHBondContact O-N 3.29Å; R632-T636 PolarHBondContact O-OG1 2.92Å; R632-T636 VanDerWaalsContact O-OG1 3.09Å; T636-S640 PolarHBondContact O-OG 2.89Å
637	V	36	Very low	33.2	Very low	99 Å²	99	114 Å²	114	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-91.4	-20.5	175.7	-169.9	0	0	0	0	111.8	I634 S635	I634-V637 PolarHBondContact O-N 3.11Å; S635-V637 PolarHBondContact O-N 3.37Å
638	C	32.1	Very low	32.9	Very low	74 Å²	74	113.2 Å²	113.2	50%	0.5	59%	0.586	S	S	.	*	H	α-helix	trans	-83.8	-21.3	174.2	-66.3	0	0	0	0	114.1	I634 S635	I634-C638 PolarHBondContact O-N 2.99Å; I634-C638 PolarHBondContact O-SG 3.15Å; S635-C638 PolarHBondContact O-N 2.7Å
639	H	26.6	Very low	32.7	Very low	164 Å²	164	116.7 Å²	116.7	76%	0.759	60%	0.597	S	S	*	*	S	Bend	trans	-111.8	8.5	-178.9	-67.1	-59.8	0	0	0	115.8	S635	S635-H639 PolarHBondContact O-N 3.33Å; S635-H639 VanDerWaalsContact O-N 3.11Å
640	S	28.4	Very low	32.7	Very low	82 Å²	82	115.7 Å²	115.7	57%	0.573	60%	0.6	S	S	*	*	S	Bend	trans	-92.6	1.1	166.2	44.9	0	0	0	0	113.5	T636	T636-S640 PolarHBondContact O-OG 2.89Å
641	T	30.2	Very low	32.7	Very low	82 Å²	82	118.3 Å²	118.3	50%	0.503	60%	0.599	S	S	.	*			trans	-103.1	55.2	169.8	60.3	0	0	0	0	111.6
642	D	27.3	Very low	32.9	Very low	166 Å²	166	117.6 Å²	117.6	89%	0.888	60%	0.595	S	S	*	*			trans	-83.2	-0.3	148.2	-117.4	-5.3	0	0	0	111.3
643	S	29.5	Very low	33.2	Very low	71 Å²	71	115.7 Å²	115.7	50%	0.497	59%	0.592	S	S	.	*	S	Bend	trans	-81.8	121.1	156.4	66.3	0	0	0	0	108.7	T645	S643-T645 PolarHBondContact O-N 2.89Å
644	R	32.5	Very low	33.8	Very low	253 Å²	253	112.7 Å²	112.7	96%	0.955	59%	0.585	S	S	*	*			trans	-64.6	62.8	177.3	-68.5	176.7	176.5	171.7	-1.3	112.4	P646	R644-P646 VanDerWaalsContact O-CD 3.32Å; R644-P646 WeakPolarHBondContact O-CD 3.39Å
645	T	29.3	Very low	34.2	Very low	96 Å²	96	116.8 Å²	116.8	59%	0.589	60%	0.595	S	S	*	*			trans	-95.9	104.1	169	47.2	0	0	0	0	108.8	S643 S647	S643-T645 PolarHBondContact O-N 2.89Å; T645-S647 PolarHBondContact O-N 2.93Å
646	P	29.1	Very low	34.8	Very low	91 Å²	91	121 Å²	121	59%	0.591	61%	0.609	S	S	*	*			trans	-65.3	124.7	-179.6	26.1	-32	0	0	0	109.7	R644	R644-P646 VanDerWaalsContact O-CD 3.32Å; R644-P646 WeakPolarHBondContact O-CD 3.39Å
647	S	37.4	Very low	35.4	Very low	68 Å²	68	119.9 Å²	119.9	48%	0.476	61%	0.61	S	S	.	*			trans	-34.8	135.6	169.4	163.7	0	0	0	0	112.1	T645 L649 L650 W651	T645-S647 PolarHBondContact O-N 2.93Å; S647-L649 PolarHBondContact O-N 2.84Å; S647-L649 PolarHBondContact OG-N 2.96Å; S647-L650 WeakPolarHBondContact O-CA 3.4Å; S647-L650 WeakPolarHBondContact O-CB 3.15Å; S647-L650 PolarHBondContact O-N 2.82Å; S647-W651 PolarHBondContact O-N 3.26Å; S647-W651 VanDerWaalsContact O-N 3.15Å
648	I	40.7	Very low	35.4	Very low	102 Å²	102	124.2 Å²	124.2	52%	0.523	62%	0.621	S	S	.	*	H	α-helix	trans	-50	-35.2	-179.7	-145.2	158.5	0	0	0	111	L650 W651 W652	I648-L650 VanDerWaalsContact C-N 3.35Å; I648-L650 PolarHBondContact O-N 2.84Å; I648-W651 PolarHBondContact O-N 3.18Å; I648-W652 WeakPolarHBondContact O-CB 3.22Å; I648-W652 PolarHBondContact O-N 2.96Å
649	L	36.7	Very low	35.5	Very low	104 Å²	104	123.5 Å²	123.5	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-62.9	-35.4	176.4	-102.8	137.2	0	0	0	113.8	P212 S647 K653	P212-L649 HydrophobicContact CG-CD1 4.22Å; S647-L649 PolarHBondContact O-N 2.84Å; S647-L649 PolarHBondContact OG-N 2.96Å; L649-K653 WeakPolarHBondContact O-CB 3.5Å; L649-K653 PolarHBondContact O-N 2.98Å
650	L	38.7	Very low	35.7	Very low	100 Å²	100	124.4 Å²	124.4	52%	0.524	63%	0.628	S	S	.	*	H	α-helix	trans	-76.3	-34.9	175.1	-104.5	142.3	0	0	0	111.8	S647 I648 K654	S647-L650 WeakPolarHBondContact O-CA 3.4Å; S647-L650 WeakPolarHBondContact O-CB 3.15Å; S647-L650 PolarHBondContact O-N 2.82Å; I648-L650 VanDerWaalsContact C-N 3.35Å; I648-L650 PolarHBondContact O-N 2.84Å; L650-K654 WeakPolarHBondContact O-CB 3.21Å; L650-K654 PolarHBondContact O-N 2.92Å
651	W	43	Very low	35.7	Very low	127 Å²	127	128.9 Å²	128.9	48%	0.481	64%	0.64	S	S	.	*	H	α-helix	trans	-64.9	-44.8	172.5	-176.6	88.4	0	0	0	111.6	S647 I648 K654 R655	S647-W651 PolarHBondContact O-N 3.26Å; S647-W651 VanDerWaalsContact O-N 3.15Å; I648-W651 PolarHBondContact O-N 3.18Å; W651-K654 PolarHBondContact O-N 3.29Å; W651-R655 PolarHBondContact O-N 2.99Å
652	W	34.6	Very low	35.5	Very low	153 Å²	153	132.4 Å²	132.4	58%	0.58	66%	0.656	S	S	*	*	H	α-helix	trans	-65	-43	174.8	-82.7	90.7	0	0	0	112.2	I648 K654 R655 Q656	I648-W652 WeakPolarHBondContact O-CB 3.22Å; I648-W652 PolarHBondContact O-N 2.96Å; W652-K654 PolarHBondContact O-N 3.28Å; W652-R655 PolarHBondContact O-N 3Å; W652-Q656 PolarHBondContact O-N 3.44Å
653	K	40.9	Very low	35.5	Very low	157 Å²	157	130.5 Å²	130.5	68%	0.683	66%	0.655	S	S	*	*	H	α-helix	trans	-62.2	-40.6	174.8	-94.2	-170.9	173.8	-177.1	0	113	L649 R655 Q656 A657	L649-K653 WeakPolarHBondContact O-CB 3.5Å; L649-K653 PolarHBondContact O-N 2.98Å; K653-R655 VanDerWaalsContact C-N 3.31Å; K653-R655 PolarHBondContact O-N 3.38Å; K653-Q656 PolarHBondContact O-N 3.13Å; K653-A657 WeakPolarHBondContact O-CB 3.41Å; K653-A657 PolarHBondContact O-N 2.83Å
654	K	40.5	Very low	35.2	Very low	149 Å²	149	135.6 Å²	135.6	65%	0.648	67%	0.669	S	S	*	*	H	α-helix	trans	-66.1	-32	178.6	-84.6	-175.3	175.1	-178.9	0	112.9	L650 W651 W652 K658	L650-K654 WeakPolarHBondContact O-CB 3.21Å; L650-K654 PolarHBondContact O-N 2.92Å; W651-K654 PolarHBondContact O-N 3.29Å; W652-K654 PolarHBondContact O-N 3.28Å; K654-K658 PolarHBondContact O-N 3.38Å
655	R	44.2	Very low	34.9	Very low	166 Å²	166	130.4 Å²	130.4	63%	0.626	66%	0.66	S	S	*	*	H	α-helix	trans	-76.6	-37.8	175.4	-105.2	-174.3	155.3	119.3	-0.9	113	W651 W652 K653 A657 K658 G659	W651-R655 PolarHBondContact O-N 2.99Å; W652-R655 PolarHBondContact O-N 3Å; K653-R655 VanDerWaalsContact C-N 3.31Å; K653-R655 PolarHBondContact O-N 3.38Å; R655-A657 VanDerWaalsContact C-N 3.3Å; R655-A657 PolarHBondContact O-N 2.64Å; R655-K658 PolarHBondContact O-N 3.37Å; R655-G659 PolarHBondContact O-N 2.98Å
656	Q	42	Very low	34.7	Very low	136 Å²	136	133.9 Å²	133.9	64%	0.636	68%	0.675	S	S	*	*	H	α-helix	trans	-68.5	-29.1	172.9	-70.9	-150	-5.4	0	0	113.1	W652 K653	W652-Q656 PolarHBondContact O-N 3.44Å; K653-Q656 PolarHBondContact O-N 3.13Å
657	A	43.1	Very low	34.4	Very low	78 Å²	78	141.5 Å²	141.5	65%	0.645	69%	0.694	S	S	*	*	H	α-helix	trans	-72.8	-33.2	173.6	0	0	0	0	0	113.1	K653 R655	K653-A657 WeakPolarHBondContact O-CB 3.41Å; K653-A657 PolarHBondContact O-N 2.83Å; R655-A657 VanDerWaalsContact C-N 3.3Å; R655-A657 PolarHBondContact O-N 2.64Å
658	K	37.8	Very low	33.8	Very low	189 Å²	189	141.9 Å²	141.9	82%	0.822	71%	0.709	S	S	*	*	H	α-helix	trans	-85.2	-17.2	177.1	-93.6	-172.8	171.9	-173.1	0	114.8	K654 R655	K654-K658 PolarHBondContact O-N 3.38Å; R655-K658 PolarHBondContact O-N 3.37Å
659	G	32.5	Very low	33	Very low	60 Å²	60	148.3 Å²	148.3	62%	0.619	73%	0.726	S	S	*	*	S	Bend	trans	-93.1	2.5	-179.2	0	0	0	0	0	115.3	R655	R655-G659 PolarHBondContact O-N 2.98Å
660	K	30.8	Very low	32.5	Very low	183 Å²	183	148.2 Å²	148.2	80%	0.796	74%	0.735	S	S	*	*	S	Bend	trans	-103.6	4.1	-178.1	-99.1	-177	175.1	179.9	0	115.3
661	E	29.4	Very low	31.9	Very low	175 Å²	175	152.7 Å²	152.7	82%	0.818	75%	0.753	S	S	*	*	S	Bend	trans	-107.7	80.4	163.4	-77.6	-178.5	161.7	0	0	108.7
662	N	25.9	Very low	31.1	Very low	157 Å²	157	154 Å²	154	84%	0.84	76%	0.764	S	S	*	*	S	Bend	trans	154.2	132.7	141.6	-78.8	-23.7	0	0	0	111.8
663	S	28.1	Very low	30.8	Very low	125 Å²	125	150.8 Å²	150.8	87%	0.874	76%	0.764	S	S	*	*			trans	73.3	102.5	167.2	-112.5	0	0	0	0	118.7
664	K	23	Very low	30	Very low	178 Å²	178	154.3 Å²	154.3	77%	0.774	77%	0.773	S	S	*	*			trans	-56.6	160.5	151.3	-64	170.7	168.2	175.6	0	111.3
665	D	26.3	Very low	29.5	Very low	144 Å²	144	153.1 Å²	153.1	77%	0.77	77%	0.768	S	S	*	*			trans	76.1	93.1	155.7	-47.7	-31.5	0	0	0	117.5
666	D	25	Very low	28.5	Very low	170 Å²	170	149.2 Å²	149.2	91%	0.909	77%	0.771	S	S	*	*				-178.5	108.5	109.4	-103.5	-18.6	0	0	0	110.9
667	Y	22.2	Very low	27.6	Very low	250 Å²	250	148.4 Å²	148.4	98%	0.98	78%	0.775	S	S	*	*			trans	-92.6	108.5	175	-118.1	-100.2	0	0	0	107.9
668	G	24.1	Very low	26.7	Very low	77 Å²	77	155 Å²	155	79%	0.794	79%	0.785	S	S	*	*			trans	151.4	59.7	168.9	0	0	0	0	0	117.3
669	R	23.5	Very low	26	Very low	236 Å²	236	153 Å²	153	89%	0.891	78%	0.784	S	S	*	*			trans	-158.5	114.3	147.1	-145.8	164.7	-179.6	163.2	-0	109.8	Q671	R669-Q671 PolarHBondContact O-N 2.77Å; R669-Q671 VanDerWaalsContact O-N 3.1Å
670	S	27.4	Very low	25.6	Very low	103 Å²	103	160 Å²	160	72%	0.72	80%	0.797	S	S	*	*			trans	-51.5	115.8	166.7	47.6	0	0	0	0	108.6	E672	S670-E672 VanDerWaalsContact C-N 3.26Å; S670-E672 PolarHBondContact O-N 3.08Å
671	Q	26	Very low	25.3	Very low	194 Å²	194	160.4 Å²	160.4	91%	0.907	80%	0.799	S	S	*	*			trans	-68.9	88.9	176.2	-164	169.1	8.1	0	0	107.5	R669 C673	R669-Q671 PolarHBondContact O-N 2.77Å; R669-Q671 VanDerWaalsContact O-N 3.1Å; Q671-C673 PolarHBondContact O-N 2.69Å
672	E	25.4	Very low	25.1	Very low	155 Å²	155	161.1 Å²	161.1	72%	0.724	80%	0.799	S	S	*	*			trans	-52.3	130.1	170.3	-77	173.8	153.1	0	0	108.9	S670 R674	S670-E672 VanDerWaalsContact C-N 3.26Å; S670-E672 PolarHBondContact O-N 3.08Å; E672-R674 PolarHBondContact O-N 3.14Å
673	C	29.8	Very low	25	Very low	85 Å²	85	160.5 Å²	160.5	57%	0.574	80%	0.796	S	S	*	*			trans	-59.8	84.5	172.3	-69.9	0	0	0	0	109.8	Q671 F675	Q671-C673 PolarHBondContact O-N 2.69Å; C673-F675 PolarHBondContact O-N 2.76Å
674	R	23.1	Very low	24.8	Very low	230 Å²	230	162 Å²	162	87%	0.868	79%	0.794	S	S	*	*			trans	-67.8	87.4	162.7	-74.4	-177	175.8	162.5	-1.8	107.7	E672 A676	E672-R674 PolarHBondContact O-N 3.14Å; R674-A676 PolarHBondContact O-N 3.11Å
675	F	29.1	Very low	25.1	Very low	125 Å²	125	161 Å²	161	55%	0.548	79%	0.792	S	S	.	*			trans	-53.2	117.5	137.5	-79.5	-89.5	0	0	0	105	L410 C673 V677	L410-F675 HydrophobicContact CD1-CE2 4.23Å; L410-F675 HydrophobicContact CD1-CZ 4.3Å; C673-F675 PolarHBondContact O-N 2.76Å; F675-V677 PolarHBondContact O-N 2.81Å
676	A	24.2	Very low	25.1	Very low	83 Å²	83	164.1 Å²	164.1	69%	0.686	80%	0.802	S	S	*	*			trans	-64.3	80.9	-179.1	0	0	0	0	0	109.4	R674 Y678	R674-A676 PolarHBondContact O-N 3.11Å; A676-Y678 VanDerWaalsContact C-N 3.26Å; A676-Y678 HydrophobicContact CB-CD2 4.49Å; A676-Y678 PolarHBondContact O-N 3.33Å; A676-Y678 VanDerWaalsContact O-N 3.1Å
677	V	23.4	Very low	25.2	Very low	120 Å²	120	159.8 Å²	159.8	73%	0.727	78%	0.782	S	S	*	*			trans	-67.9	100	152.2	-179.2	0	0	0	0	103.5	F675 D679	F675-V677 PolarHBondContact O-N 2.81Å; V677-D679 VanDerWaalsContact C-N 3.33Å; V677-D679 PolarHBondContact O-N 3.45Å
678	Y	23.4	Very low	25.7	Very low	216 Å²	216	151.8 Å²	151.8	85%	0.847	76%	0.762	S	S	*	*			trans	-59.3	100.8	170.4	-101.5	-96	0	0	0	107.5	A676 K680	A676-Y678 VanDerWaalsContact C-N 3.26Å; A676-Y678 HydrophobicContact CB-CD2 4.49Å; A676-Y678 PolarHBondContact O-N 3.33Å; A676-Y678 VanDerWaalsContact O-N 3.1Å; Y678-K680 PolarHBondContact O-N 3.07Å
679	D	23.3	Very low	26.2	Very low	148 Å²	148	152.2 Å²	152.2	79%	0.791	75%	0.753	S	S	*	*			trans	-61.2	109.4	167.1	-99.2	-30.8	0	0	0	108.1	V677 K681	V677-D679 VanDerWaalsContact C-N 3.33Å; V677-D679 PolarHBondContact O-N 3.45Å; D679-K681 VanDerWaalsContact C-N 3.29Å; D679-K681 PolarHBondContact O-N 2.72Å
680	K	25.1	Very low	26.6	Very low	205 Å²	205	146.8 Å²	146.8	89%	0.891	74%	0.742	S	S	*	*			trans	-61.9	90.4	166.8	-86.3	-178.8	174.9	175.7	0	108.4	Y678 K682	Y678-K680 PolarHBondContact O-N 3.07Å; K680-K682 PolarHBondContact O-N 3.24Å
681	K	24.4	Very low	26.9	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	73%	0.73	S	S	*	*			trans	-68.7	115.5	155.1	-92.6	-174.6	175.3	180	0	107.9	D679 N683	D679-K681 VanDerWaalsContact C-N 3.29Å; D679-K681 PolarHBondContact O-N 2.72Å; K681-N683 PolarHBondContact O-N 3.08Å
682	K	24	Very low	27.1	Very low	190 Å²	190	144.5 Å²	144.5	83%	0.826	72%	0.72	S	S	*	*			trans	-51.5	105.4	167.7	-74.9	179.2	172.8	-179.8	0	109.3	K680	K680-K682 PolarHBondContact O-N 3.24Å
683	N	25	Very low	27.9	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	71%	0.708	S	S	*	*			trans	-99.7	114.3	149.9	-79.5	-0.1	0	0	0	106	K681 E685	K681-N683 PolarHBondContact O-N 3.08Å; N683-E685 PolarHBondContact O-N 3.13Å; N683-E685 VanDerWaalsContact O-N 3.1Å
684	N	23.3	Very low	28.6	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	70%	0.696	S	S	*	*			trans	-68.1	95.8	168.8	-75.6	-13	0	0	0	107.5
685	E	28.1	Very low	29.8	Very low	157 Å²	157	134.5 Å²	134.5	73%	0.734	68%	0.684	S	S	*	*			trans	-134.3	129.3	159.5	-72.8	-174.6	172.1	0	0	107.6	N683 T687	N683-E685 PolarHBondContact O-N 3.13Å; N683-E685 VanDerWaalsContact O-N 3.1Å; E685-T687 VanDerWaalsContact C-N 3.3Å; E685-T687 PolarHBondContact O-N 3.48Å
686	E	27.9	Very low	30.7	Very low	209 Å²	209	131.1 Å²	131.1	98%	0.977	68%	0.677	S	S	*	*			trans	-65.1	84.2	-177	-64.8	175	161.6	0	0	109.8
687	T	26.8	Very low	32	Very low	79 Å²	79	127.7 Å²	127.7	49%	0.485	65%	0.646	S	S	.	*			trans	-92.6	117	178.9	47.6	0	0	0	0	111.4	E685	E685-T687 VanDerWaalsContact C-N 3.3Å; E685-T687 PolarHBondContact O-N 3.48Å
688	S	32.1	Very low	33.9	Very low	82 Å²	82	126.3 Å²	126.3	57%	0.573	63%	0.629	S	S	*	*			trans	-34.7	146.1	169.7	177.3	0	0	0	0	115.4	D690 E691	S688-D690 PolarHBondContact O-N 3.2Å; S688-E691 PolarHBondContact O-N 3.25Å
689	S	35.2	Very low	36.2	Very low	87 Å²	87	121.5 Å²	121.5	61%	0.608	61%	0.614	S	S	*	*	H	α-helix	trans	-51	-17.1	-174.7	52.1	0	0	0	0	117	T693	S689-T693 PolarHBondContact O-OG1 2.88Å; S689-T693 VanDerWaalsContact O-OG1 3.09Å
690	D	32.4	Very low	39.1	Very low	121 Å²	121	115.3 Å²	115.3	65%	0.647	58%	0.581	S	S	*	*	H	α-helix	trans	-80.1	-21.4	-175.9	-66.8	-15.2	0	0	0	113.3	S688 T693	S688-D690 PolarHBondContact O-N 3.2Å; D690-T693 PolarHBondContact O-OG1 3.42Å; D690-T693 VanDerWaalsContact O-OG1 3.11Å
691	E	32.7	Very low	41.9	Very low	103 Å²	103	108.3 Å²	108.3	48%	0.481	56%	0.555	S	S	.	*	H	α-helix	trans	-85.7	-33.9	-179.9	-76	-161.8	173.5	0	0	114	S688 T693 A694 K695	S688-E691 PolarHBondContact O-N 3.25Å; E691-T693 VanDerWaalsContact C-N 3.33Å; E691-A694 PolarHBondContact O-N 3.18Å; E691-K695 PolarHBondContact O-N 3.41Å; E691-K695 VanDerWaalsContact O-N 3.13Å
692	E	31.3	Very low	44.8	Very low	147 Å²	147	102.3 Å²	102.3	69%	0.687	53%	0.528	S	S	*	.	H	α-helix	trans	-68.5	-34.7	176.6	-71.2	-164.6	148.5	0	0	112	A694 K695 S696	E692-A694 VanDerWaalsContact C-N 3.28Å; E692-A694 PolarHBondContact O-N 3.07Å; E692-K695 PolarHBondContact O-N 3.07Å; E692-S696 PolarHBondContact O-N 3.36Å; E692-S696 PolarHBondContact O-OG 3.35Å
693	T	40.5	Very low	47.6	Very low	76 Å²	76	94.4 Å²	94.4	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-68.9	-25.8	172.6	42.1	0	0	0	0	112.6	S689 D690 E691 S696 D697	S689-T693 PolarHBondContact O-OG1 2.88Å; S689-T693 VanDerWaalsContact O-OG1 3.09Å; D690-T693 PolarHBondContact O-OG1 3.42Å; D690-T693 VanDerWaalsContact O-OG1 3.11Å; E691-T693 VanDerWaalsContact C-N 3.33Å; T693-S696 PolarHBondContact O-OG 3.2Å; T693-D697 VanDerWaalsContact O-OD2 3.11Å
694	A	45	Very low	49.8	Very low	40 Å²	40	92.7 Å²	92.7	33%	0.331	49%	0.493	S	S	.	.	H	α-helix	trans	-81	-31.5	176	0	0	0	0	0	113.8	E691 E692 Y698	E691-A694 PolarHBondContact O-N 3.18Å; E692-A694 VanDerWaalsContact C-N 3.28Å; E692-A694 PolarHBondContact O-N 3.07Å; A694-Y698 WeakPolarHBondContact O-CD2 3.31Å; A694-Y698 VanDerWaalsContact O-CE2 3.29Å; A694-Y698 WeakPolarHBondContact O-CE2 3.37Å
695	K	48.1	Very low	52	Low	143 Å²	143	87.5 Å²	87.5	62%	0.622	46%	0.464	S	S	*	.	H	α-helix	trans	-77.9	-40.7	-180	-79.5	174.1	-179.4	156.2	0	113.4	E691 E692 D697	E691-K695 PolarHBondContact O-N 3.41Å; E691-K695 VanDerWaalsContact O-N 3.13Å; E692-K695 PolarHBondContact O-N 3.07Å; K695-D697 PolarHBondContact O-N 3.28Å; K695-D697 VanDerWaalsContact O-N 3.07Å
696	S	49.1	Very low	54.3	Low	55 Å²	55	80.4 Å²	80.4	39%	0.385	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.4	173.2	51.3	0	0	0	0	113.6	E692 T693	E692-S696 PolarHBondContact O-N 3.36Å; E692-S696 PolarHBondContact O-OG 3.35Å; T693-S696 PolarHBondContact O-OG 3.2Å
697	D	50.7	Low	56.1	Low	10 Å²	10	76.3 Å²	76.3	5%	0.053	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-15	-170.5	-90.2	-13.6	0	0	0	115.7	R330 R369 T693 K695	R330-D697 IonicContact CZ-OD1 3.71Å; R330-D697 IonicContact CZ-OD2 3.37Å; R330-D697 IonicContact NE-OD1 3.84Å; R330-D697 PolarHBondContact NE-OD1 3Å; R330-D697 IonicContact NH1-OD1 2.81Å; R330-D697 PolarHBondContact NH1-OD1 3.39Å; R330-D697 IonicContact NH1-OD2 3.42Å; R330-D697 PolarHBondContact NH1-OD2 3.09Å; R330-D697 IonicContact NH2-OD1 2.64Å; R330-D697 PolarHBondContact NH2-OD1 2.87Å; R369-D697 IonicContact CZ-OD2 2.7Å; R369-D697 IonicContact NH1-OD1 2.71Å; R369-D697 IonicContact NH1-OD2 3.13Å; R369-D697 PolarHBondContact NH1-OD2 3.32Å; R369-D697 IonicContact NH2-OD2 3.07Å; R369-D697 PolarHBondContact NH2-OD2 3.22Å; T693-D697 VanDerWaalsContact O-OD2 3.11Å; K695-D697 PolarHBondContact O-N 3.28Å; K695-D697 VanDerWaalsContact O-N 3.07Å
698	Y	62.8	Low	57.9	Low	92 Å²	92	74.5 Å²	74.5	36%	0.361	40%	0.404	S	S	.	.	S	Bend	trans	-90.6	-4.8	173.1	-65	-76.2	0	0	0	112.8	C370 A694	C370-Y698 HydrophobicContact CB-CD1 4.27Å; A694-Y698 WeakPolarHBondContact O-CD2 3.31Å; A694-Y698 VanDerWaalsContact O-CE2 3.29Å; A694-Y698 WeakPolarHBondContact O-CE2 3.37Å
699	E	72.2	Confident	59	Low	115 Å²	115	74.9 Å²	74.9	54%	0.537	41%	0.405	S	S	.	.			trans	-73.9	139.3	-171.5	-65.7	-178.1	172.5	0	0	112.3	R329 V701	R329-E699 PolarHBondContact NH1-O 3.44Å; E699-V701 PolarHBondContact O-N 3.42Å
700	I	84.1	Confident	59.8	Low	17 Å²	17	74.3 Å²	74.3	9%	0.087	40%	0.398	C	S	.	.			trans	-69.7	123	168.4	-56.5	156.7	0	0	0	106.2	L363 F365 K379 E382 I383 Y702	L363-I700 HydrophobicContact CB-CG2 4.47Å; L363-I700 HydrophobicContact CD1-CG2 4.25Å; F365-I700 HydrophobicContact CD2-CG1 4.06Å; K379-I700 HydrophobicContact CB-CD1 4.27Å; K379-I700 HydrophobicContact CD-CD1 3.73Å; K379-I700 HydrophobicContact CD-CG1 4.08Å; E382-I700 HydrophobicContact CB-CD1 4.38Å; E382-I700 HydrophobicContact CG-CD1 4.28Å; I383-I700 HydrophobicContact CD1-CD1 4.05Å; I383-I700 HydrophobicContact CD1-CG1 4.04Å; I383-I700 HydrophobicContact CD1-CG2 4.22Å; I383-I700 HydrophobicContact CG1-CD1 3.67Å; I383-I700 HydrophobicContact CG1-CG1 4.14Å; I383-I700 HydrophobicContact CG1-CG2 4.09Å; I700-Y702 HydrophobicContact CB-CD2 4.48Å; I700-Y702 HydrophobicContact CB-CE2 3.84Å; I700-Y702 HydrophobicContact CG2-CD1 4.32Å; I700-Y702 HydrophobicContact CG2-CD2 4.1Å; I700-Y702 HydrophobicContact CG2-CE1 3.84Å; I700-Y702 HydrophobicContact CG2-CE2 3.57Å; I700-Y702 HydrophobicContact CG2-CG 4.46Å; I700-Y702 VanDerWaalsContact CG2-CZ 3.44Å
701	V	85	Confident	60.1	Low	59 Å²	59	72.9 Å²	72.9	36%	0.358	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	108	178.4	175.7	0	0	0	0	108.2	L363 S364 E699	L363-V701 CarbonylContact C-O 3.44Å; L363-V701 WeakPolarHBondContact CA-O 3.33Å; S364-V701 PolarHBondContact N-O 3.15Å; S364-V701 PolarHBondContact O-N 2.96Å; E699-V701 PolarHBondContact O-N 3.42Å
702	Y	85.2	Confident	60.4	Low	66 Å²	66	74.5 Å²	74.5	26%	0.259	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.2	170.8	-60.3	-78.3	0	0	0	109.6	L363 I700 W706	L363-Y702 HydrophobicContact CB-CD1 3.84Å; L363-Y702 HydrophobicContact CB-CE1 4.14Å; L363-Y702 HydrophobicContact CD2-CD1 4.46Å; L363-Y702 HydrophobicContact CD2-CE1 4.01Å; I700-Y702 HydrophobicContact CB-CD2 4.48Å; I700-Y702 HydrophobicContact CB-CE2 3.84Å; I700-Y702 HydrophobicContact CG2-CD1 4.32Å; I700-Y702 HydrophobicContact CG2-CD2 4.1Å; I700-Y702 HydrophobicContact CG2-CE1 3.84Å; I700-Y702 HydrophobicContact CG2-CE2 3.57Å; I700-Y702 HydrophobicContact CG2-CG 4.46Å; I700-Y702 VanDerWaalsContact CG2-CZ 3.44Å; Y702-W706 AromaticContact CD1-CD1 3.94Å; Y702-W706 AromaticContact CD1-CD2 3.32Å; Y702-W706 HydrophobicContact CD1-CD2 3.32Å; Y702-W706 AromaticContact CD1-CE2 3.34Å; Y702-W706 AromaticContact CD1-CE3 3.68Å; Y702-W706 HydrophobicContact CD1-CE3 3.68Å; Y702-W706 AromaticContact CD1-CG 3.75Å; Y702-W706 HydrophobicContact CD1-CG 3.75Å; Y702-W706 HydrophobicContact CD1-CH2 4.12Å; Y702-W706 AromaticContact CD1-CZ2 3.76Å; Y702-W706 HydrophobicContact CD1-CZ2 3.76Å; Y702-W706 HydrophobicContact CD1-CZ3 4.07Å; Y702-W706 AromaticContact CD1-NE1 3.7Å; Y702-W706 AromaticContact CE1-CD2 3.98Å; Y702-W706 HydrophobicContact CE1-CD2 3.98Å; Y702-W706 AromaticContact CE1-CE2 3.47Å; Y702-W706 VanDerWaalsContact CE1-CE2 3.47Å; Y702-W706 HydrophobicContact CE1-CE3 4.41Å; Y702-W706 HydrophobicContact CE1-CH2 4.05Å; Y702-W706 AromaticContact CE1-CZ2 3.51Å; Y702-W706 HydrophobicContact CE1-CZ2 3.51Å; Y702-W706 HydrophobicContact CE1-CZ3 4.45Å; Y702-W706 AromaticContact CE1-NE1 3.78Å; Y702-W706 HydrophobicContact CG-CD2 4.12Å; Y702-W706 HydrophobicContact CG-CG 4.08Å
703	Q	83.2	Confident	60.4	Low	24 Å²	24	76.4 Å²	76.4	11%	0.112	41%	0.409	C	S	.	.			trans	-71.9	161	169.7	-84.3	-170.9	-22.7	0	0	111.7	Y362 E705 W706	Y362-Q703 HydrophobicContact CD1-CG 4.05Å; Y362-Q703 HydrophobicContact CG-CG 4.4Å; Y362-Q703 PolarHBondContact O-N 3.05Å; Y362-Q703 VanDerWaalsContact O-N 3.08Å; Q703-E705 WeakPolarHBondContact CB-OE2 3.39Å; Q703-E705 PolarHBondContact O-N 2.96Å; Q703-E705 VanDerWaalsContact O-N 3.14Å; Q703-W706 WeakPolarHBondContact O-CB 3.27Å; Q703-W706 PolarHBondContact O-N 2.94Å
704	S	70.2	Confident	59.7	Low	108 Å²	108	75.5 Å²	75.5	76%	0.755	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-54.1	-32.1	-176.7	25.2	0	0	0	0	113.9	W706	S704-W706 PolarHBondContact O-N 3.11Å
705	E	69.1	Low	58.9	Low	47 Å²	47	79.5 Å²	79.5	22%	0.22	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-82.3	7	-177.5	-50.5	71.5	-144.2	0	0	112.6	R361 Q703 T708	R361-E705 VanDerWaalsContact CD-O 3.28Å; R361-E705 WeakPolarHBondContact CD-O 3.44Å; R361-E705 PolarHBondContact NE-O 3.37Å; Q703-E705 WeakPolarHBondContact CB-OE2 3.39Å; Q703-E705 PolarHBondContact O-N 2.96Å; Q703-E705 VanDerWaalsContact O-N 3.14Å; E705-T708 PolarHBondContact O-OG1 3.02Å
706	W	75.7	Confident	57.9	Low	8 Å²	8	78.3 Å²	78.3	3%	0.03	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-65	-42.8	-175.6	-170.4	-95.9	0	0	0	113.5	V322 R361 L363 Q386 L390 Y702 Q703 S704	V322-W706 HydrophobicContact CG1-CH2 3.6Å; V322-W706 HydrophobicContact CG1-CZ3 3.93Å; R361-W706 HydrophobicContact CB-CE3 3.94Å; R361-W706 HydrophobicContact CB-CZ3 3.79Å; R361-W706 PolarHBondContact NH1-O 3.43Å; L363-W706 HydrophobicContact CB-CH2 4.45Å; L363-W706 HydrophobicContact CB-CZ3 4.05Å; L363-W706 HydrophobicContact CD2-CH2 3.51Å; L363-W706 HydrophobicContact CD2-CZ2 4.25Å; L363-W706 HydrophobicContact CD2-CZ3 3.9Å; L363-W706 HydrophobicContact CG-CH2 4.49Å; L363-W706 HydrophobicContact CG-CZ3 4.44Å; Q386-W706 HydrophobicContact CB-CZ2 3.75Å; L390-W706 HydrophobicContact CD1-CH2 3.98Å; L390-W706 HydrophobicContact CD1-CZ2 3.85Å; Y702-W706 AromaticContact CD1-CD1 3.94Å; Y702-W706 AromaticContact CD1-CD2 3.32Å; Y702-W706 HydrophobicContact CD1-CD2 3.32Å; Y702-W706 AromaticContact CD1-CE2 3.34Å; Y702-W706 AromaticContact CD1-CE3 3.68Å; Y702-W706 HydrophobicContact CD1-CE3 3.68Å; Y702-W706 AromaticContact CD1-CG 3.75Å; Y702-W706 HydrophobicContact CD1-CG 3.75Å; Y702-W706 HydrophobicContact CD1-CH2 4.12Å; Y702-W706 AromaticContact CD1-CZ2 3.76Å; Y702-W706 HydrophobicContact CD1-CZ2 3.76Å; Y702-W706 HydrophobicContact CD1-CZ3 4.07Å; Y702-W706 AromaticContact CD1-NE1 3.7Å; Y702-W706 AromaticContact CE1-CD2 3.98Å; Y702-W706 HydrophobicContact CE1-CD2 3.98Å; Y702-W706 AromaticContact CE1-CE2 3.47Å; Y702-W706 VanDerWaalsContact CE1-CE2 3.47Å; Y702-W706 HydrophobicContact CE1-CE3 4.41Å; Y702-W706 HydrophobicContact CE1-CH2 4.05Å; Y702-W706 AromaticContact CE1-CZ2 3.51Å; Y702-W706 HydrophobicContact CE1-CZ2 3.51Å; Y702-W706 HydrophobicContact CE1-CZ3 4.45Å; Y702-W706 AromaticContact CE1-NE1 3.78Å; Y702-W706 HydrophobicContact CG-CD2 4.12Å; Y702-W706 HydrophobicContact CG-CG 4.08Å; Q703-W706 WeakPolarHBondContact O-CB 3.27Å; Q703-W706 PolarHBondContact O-N 2.94Å; S704-W706 PolarHBondContact O-N 3.11Å
707	D	66.9	Low	56.8	Low	124 Å²	124	79.6 Å²	79.6	66%	0.663	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-94.1	8.2	-175	-69.8	-41.5	0	0	0	113.7	R389 P709	R389-D707 IonicContact NH2-OD1 2.63Å; D707-P709 WeakPolarHBondContact O-CD 3.36Å
708	T	64.6	Low	55.6	Low	41 Å²	41	85.9 Å²	85.9	25%	0.252	49%	0.492	S	S	.	.			trans	-61.6	122.5	173.9	49.6	0	0	0	0	109.6	P356 R361 E705 T710	P356-T708 HydrophobicContact CB-CG2 4.22Å; P356-T708 PolarHBondContact O-OG1 3.31Å; R361-T708 PolarHBondContact NH1-O 2.7Å; R361-T708 PolarHBondContact NH2-O 2.96Å; R361-T708 PolarHBondContact NH2-OG1 3.45Å; E705-T708 PolarHBondContact O-OG1 3.02Å; T708-T710 PolarHBondContact O-N 3.2Å
709	P	55.5	Low	53.8	Low	90 Å²	90	92.5 Å²	92.5	58%	0.584	52%	0.517	S	S	*	.			trans	-59.3	129.5	-178.6	-20.5	29.9	0	0	0	110.5	D707 V711	D707-P709 WeakPolarHBondContact O-CD 3.36Å; P709-V711 HydrophobicContact CB-CB 4.41Å; P709-V711 HydrophobicContact CB-CG2 3.59Å; P709-V711 PolarHBondContact O-N 2.65Å
710	T	50.5	Low	51.7	Low	75 Å²	75	96.4 Å²	96.4	46%	0.46	53%	0.527	S	S	.	.			trans	-74.6	58.9	166	33.7	0	0	0	0	109.7	T708 E712	T708-T710 PolarHBondContact O-N 3.2Å; T710-E712 PolarHBondContact O-N 3.31Å
711	V	39	Very low	48.9	Very low	90 Å²	90	105.7 Å²	105.7	55%	0.545	57%	0.566	S	S	.	*			trans	-93.1	91.9	177.5	179.6	0	0	0	0	108.7	P709 E713	P709-V711 HydrophobicContact CB-CB 4.41Å; P709-V711 HydrophobicContact CB-CG2 3.59Å; P709-V711 PolarHBondContact O-N 2.65Å; V711-E713 HydrophobicContact CG1-CB 4.3Å; V711-E713 HydrophobicContact CG1-CG 3.9Å
712	E	39.7	Very low	46.2	Very low	138 Å²	138	109 Å²	109	65%	0.645	58%	0.581	S	S	*	*			trans	-96.3	95	141.1	-88	-172.5	164.3	0	0	107	T710 A714	T710-E712 PolarHBondContact O-N 3.31Å; E712-A714 PolarHBondContact O-N 3.08Å
713	E	30.6	Very low	43.6	Very low	186 Å²	186	110.7 Å²	110.7	87%	0.869	60%	0.602	S	S	*	*			trans	-66.9	76.7	155	-86.3	-179.7	173.4	0	0	108.4	V711	V711-E713 HydrophobicContact CG1-CB 4.3Å; V711-E713 HydrophobicContact CG1-CG 3.9Å
714	A	27.2	Very low	41.2	Very low	57 Å²	57	115.1 Å²	115.1	47%	0.471	64%	0.636	S	S	.	*			trans	-144.2	87.5	158.6	0	0	0	0	0	107.2	E712 T716	E712-A714 PolarHBondContact O-N 3.08Å; A714-T716 PolarHBondContact O-N 3.36Å
715	S	28.5	Very low	39.3	Very low	125 Å²	125	118.8 Å²	118.8	87%	0.874	64%	0.638	S	S	*	*			trans	-58.2	66.8	149.6	57.3	0	0	0	0	109.1	A717	S715-A717 PolarHBondContact O-N 3.08Å
716	T	25.3	Very low	37.5	Very low	117 Å²	117	123.3 Å²	123.3	72%	0.718	67%	0.669	S	S	*	*			trans	-73.7	83.8	157	37.2	0	0	0	0	104.9	A714 V718	A714-T716 PolarHBondContact O-N 3.36Å; T716-V718 PolarHBondContact O-N 2.63Å
717	A	26.6	Very low	35.4	Very low	83 Å²	83	128.8 Å²	128.8	69%	0.686	71%	0.709	S	S	*	*			trans	-40.6	117.2	153.9	0	0	0	0	0	106.1	S715 R719	S715-A717 PolarHBondContact O-N 3.08Å; A717-R719 PolarHBondContact O-N 3.09Å
718	V	26.3	Very low	33.7	Very low	141 Å²	141	131.5 Å²	131.5	86%	0.855	72%	0.718	S	S	*	*			trans	-62.5	79.2	173	176.7	0	0	0	0	106.4	T716 R720	T716-V718 PolarHBondContact O-N 2.63Å; V718-R720 VanDerWaalsContact C-N 3.27Å; V718-R720 PolarHBondContact O-N 3.37Å
719	R	24.9	Very low	32.1	Very low	231 Å²	231	137.1 Å²	137.1	87%	0.872	75%	0.745	S	S	*	*			trans	-78.3	91.6	175.4	-157.3	177.5	-166.7	177.3	4.1	103.2	A717 K721	A717-R719 PolarHBondContact O-N 3.09Å; R719-K721 PolarHBondContact O-N 2.9Å
720	R	28.1	Very low	30.9	Very low	198 Å²	198	138 Å²	138	75%	0.747	75%	0.751	S	S	*	*			trans	-40.1	107.2	172.7	-72.8	-178.1	170.9	120.9	-1.6	108.6	V718 I722	V718-R720 VanDerWaalsContact C-N 3.27Å; V718-R720 PolarHBondContact O-N 3.37Å; R720-I722 HydrophobicContact CB-CD1 4.28Å; R720-I722 HydrophobicContact CB-CG1 4.12Å; R720-I722 PolarHBondContact O-N 2.88Å
721	K	24.2	Very low	30.3	Very low	211 Å²	211	139.9 Å²	139.9	92%	0.917	77%	0.767	S	S	*	*			trans	-71.2	75.7	165.1	-79.9	-175.8	177.4	177.1	0	107	R719 S723	R719-K721 PolarHBondContact O-N 2.9Å; K721-S723 PolarHBondContact O-N 3.32Å
722	I	29.4	Very low	30	Very low	128 Å²	128	146.9 Å²	146.9	66%	0.656	78%	0.784	S	S	*	*			trans	-76.9	108.3	164.1	-65.7	168	0	0	0	105.1	R720 S724	R720-I722 HydrophobicContact CB-CD1 4.28Å; R720-I722 HydrophobicContact CB-CG1 4.12Å; R720-I722 PolarHBondContact O-N 2.88Å; I722-S724 PolarHBondContact O-N 3.15Å
723	S	29.6	Very low	30	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	79%	0.791	S	S	*	*			trans	-43	122.7	170.5	-179.2	0	0	0	0	109.7	K721 K725	K721-S723 PolarHBondContact O-N 3.32Å; S723-K725 PolarHBondContact O-N 2.77Å
724	S	33.7	Very low	30.1	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	79%	0.789	S	S	*	*	S	Bend	trans	-73.2	66.6	-172.1	56.3	0	0	0	0	111.9	I722	I722-S724 PolarHBondContact O-N 3.15Å
725	K	29.7	Very low	30.7	Very low	186 Å²	186	148.6 Å²	148.6	81%	0.809	80%	0.797	S	S	*	*			trans	-150.6	63.3	167.7	-72.8	-165.4	178.9	177.7	0	111.7	S723	S723-K725 PolarHBondContact O-N 2.77Å
726	T	32	Very low	31.7	Very low	142 Å²	142	145.8 Å²	145.8	87%	0.871	78%	0.778	S	S	*	*			trans	176.6	112.6	140.4	18.3	0	0	0	0	108.8	Q728	T726-Q728 PolarHBondContact O-N 3.2Å
727	S	31.9	Very low	32.9	Very low	123 Å²	123	143 Å²	143	86%	0.86	76%	0.76	S	S	*	*			trans	-75.4	76.7	-179.3	52.1	0	0	0	0	111.4
728	Q	30.4	Very low	34.5	Very low	181 Å²	181	143.8 Å²	143.8	85%	0.846	75%	0.751	S	S	*	*			trans	-150.6	93.8	153.3	-70.8	-159.7	-0	0	0	108.7	T726	T726-Q728 PolarHBondContact O-N 3.2Å
729	L	31.1	Very low	35.9	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	74%	0.739	S	S	*	*			trans	-64.2	127.1	171.3	-127.7	91.7	0	0	0	108.4	S731	L729-S731 PolarHBondContact O-N 3.02Å
730	P	30.9	Very low	37.1	Very low	110 Å²	110	138.3 Å²	138.3	71%	0.714	73%	0.73	S	S	*	*			trans	-75.3	95.3	177.6	28.7	-30.9	0	0	0	109.4	R732	P730-R732 PolarHBondContact O-N 3.21Å
731	S	36.8	Very low	38.3	Very low	113 Å²	113	135 Å²	135	79%	0.79	72%	0.718	S	S	*	*			trans	-71.4	28.6	178.3	53.7	0	0	0	0	114.8	L729	L729-S731 PolarHBondContact O-N 3.02Å
732	R	33.7	Very low	39.5	Very low	237 Å²	237	127.6 Å²	127.6	89%	0.894	70%	0.701	S	S	*	*			trans	-106.8	13.7	-175.3	-72.3	-168	177.6	-178.6	0.6	116.2	P730	P730-R732 PolarHBondContact O-N 3.21Å
733	L	38.5	Very low	40.9	Very low	155 Å²	155	127.1 Å²	127.1	81%	0.812	70%	0.695	S	S	*	*	S	Bend	trans	-100.2	-0.3	177.6	-85.8	163.3	0	0	0	115.2
734	L	32.3	Very low	42.4	Very low	158 Å²	158	127.8 Å²	127.8	83%	0.827	69%	0.686	S	S	*	*	S	Bend	trans	-120.4	120.3	173.9	-67.3	170.6	0	0	0	108.8
735	V	40.3	Very low	43.6	Very low	104 Å²	104	127.4 Å²	127.4	63%	0.63	67%	0.674	S	S	*	*			trans	-59.8	133.5	165.3	174.6	0	0	0	0	107.2	S739	V735-S739 VanDerWaalsContact CG1-CB 3.42Å; V735-S739 WeakPolarHBondContact CG1-OG 3.47Å
736	S	49.5	Very low	45.6	Very low	67 Å²	67	125.5 Å²	125.5	47%	0.469	67%	0.668	S	S	.	*			trans	-61	149	-176.3	69.5	0	0	0	0	110.9	M738 S739 Y740	S736-M738 PolarHBondContact O-N 3.16Å; S736-S739 WeakPolarHBondContact O-CA 3.46Å; S736-S739 WeakPolarHBondContact O-CB 3.45Å; S736-S739 PolarHBondContact O-N 3.39Å; S736-S739 WeakPolarHBondContact OG-CB 3.4Å; S736-S739 PolarHBondContact OG-N 2.9Å; S736-Y740 PolarHBondContact O-N 3.45Å; S736-Y740 VanDerWaalsContact O-N 3.14Å
737	T	51.5	Low	47.5	Very low	57 Å²	57	124.1 Å²	124.1	35%	0.35	67%	0.665	S	S	.	*	H	α-helix	trans	-56.7	-34.1	174.3	40.2	0	0	0	0	111.7	S739 Y740 Y741 F743 L745	T737-S739 PolarHBondContact O-N 3.19Å; T737-Y740 PolarHBondContact O-N 2.86Å; T737-Y741 PolarHBondContact O-N 3.38Å; T737-F743 CarbonylContact C-O 3.52Å; T737-L745 HydrophobicContact CG2-CB 4.31Å; T737-L745 HydrophobicContact CG2-CD1 3.7Å; T737-L745 HydrophobicContact CG2-CG 4.3Å
738	M	58.6	Low	49.5	Very low	100 Å²	100	121 Å²	121	49%	0.493	64%	0.641	S	S	.	*	H	α-helix	trans	-58	-43.2	169.9	-170.5	65.7	-179.5	0	0	112.7	S736 Y740 G742 F743 E744	S736-M738 PolarHBondContact O-N 3.16Å; M738-Y740 VanDerWaalsContact C-N 3.32Å; M738-Y740 PolarHBondContact O-N 3.02Å; M738-G742 WeakPolarHBondContact CE-O 3.1Å; M738-G742 WeakPolarHBondContact O-CA 3.38Å; M738-G742 PolarHBondContact O-N 3.02Å; M738-G742 VanDerWaalsContact SD-C 3.56Å; M738-G742 VanDerWaalsContact SD-O 3.41Å; M738-F743 VanDerWaalsContact SD-CA 3.53Å; M738-E744 HydrophobicContact CB-CG 4.35Å
739	S	55.8	Low	51.9	Low	87 Å²	87	115.6 Å²	115.6	61%	0.608	62%	0.622	S	S	*	*	H	α-helix	trans	-72.3	-22.9	178.4	173.1	0	0	0	0	113.4	V735 S736 T737	V735-S739 VanDerWaalsContact CG1-CB 3.42Å; V735-S739 WeakPolarHBondContact CG1-OG 3.47Å; S736-S739 WeakPolarHBondContact O-CA 3.46Å; S736-S739 WeakPolarHBondContact O-CB 3.45Å; S736-S739 PolarHBondContact O-N 3.39Å; S736-S739 WeakPolarHBondContact OG-CB 3.4Å; S736-S739 PolarHBondContact OG-N 2.9Å; T737-S739 PolarHBondContact O-N 3.19Å
740	Y	51.6	Low	54.2	Low	171 Å²	171	118.4 Å²	118.4	67%	0.671	62%	0.622	S	S	*	*	H	α-helix	trans	-96.1	-39.4	-178.1	-165.2	-86.9	0	0	0	113.1	S736 T737 M738	S736-Y740 PolarHBondContact O-N 3.45Å; S736-Y740 VanDerWaalsContact O-N 3.14Å; T737-Y740 PolarHBondContact O-N 2.86Å; M738-Y740 VanDerWaalsContact C-N 3.32Å; M738-Y740 PolarHBondContact O-N 3.02Å
741	Y	53.1	Low	56.6	Low	129 Å²	129	115.9 Å²	115.9	51%	0.506	61%	0.611	S	S	.	*	H	α-helix	trans	-111.6	-10.4	-174.6	-64.2	-72.3	0	0	0	114	T737 F743 L745	T737-Y741 PolarHBondContact O-N 3.38Å; Y741-F743 WeakPolarHBondContact O-CD1 3.36Å; Y741-F743 WeakPolarHBondContact O-CE1 3.27Å; Y741-F743 PolarHBondContact O-N 3.01Å; Y741-L745 HydrophobicContact CD2-CD1 4.21Å; Y741-L745 HydrophobicContact CE2-CD1 4.1Å
742	G	49.1	Very low	58.5	Low	54 Å²	54	113.1 Å²	113.1	56%	0.557	59%	0.587	S	S	*	*	S	Bend	trans	78	-0.2	-175.8	0	0	0	0	0	114.8	M738	M738-G742 WeakPolarHBondContact CE-O 3.1Å; M738-G742 WeakPolarHBondContact O-CA 3.38Å; M738-G742 PolarHBondContact O-N 3.02Å; M738-G742 VanDerWaalsContact SD-C 3.56Å; M738-G742 VanDerWaalsContact SD-O 3.41Å
743	F	58.8	Low	60.5	Low	119 Å²	119	105.7 Å²	105.7	52%	0.522	57%	0.565	S	S	.	*	S	Bend	trans	-144.7	156.3	174.5	60.7	-88.5	0	0	0	110.8	T737 M738 Y741 L745	T737-F743 CarbonylContact C-O 3.52Å; M738-F743 VanDerWaalsContact SD-CA 3.53Å; Y741-F743 WeakPolarHBondContact O-CD1 3.36Å; Y741-F743 WeakPolarHBondContact O-CE1 3.27Å; Y741-F743 PolarHBondContact O-N 3.01Å; F743-L745 HydrophobicContact CE2-CD2 4.15Å
744	E	60.8	Low	62.4	Low	117 Å²	117	106.8 Å²	106.8	55%	0.547	56%	0.558	S	S	.	*			trans	-77.9	127.4	174.5	-74.5	-172.4	161	0	0	110.8	M738 H746	M738-E744 HydrophobicContact CB-CG 4.35Å; E744-H746 PolarHBondContact O-N 3.2Å; E744-H746 VanDerWaalsContact O-N 3.15Å; E744-H746 IonicContact OE2-CE1 3.15Å
745	L	59.1	Low	64.3	Low	107 Å²	107	104.8 Å²	104.8	56%	0.56	54%	0.543	S	S	*	.			trans	-70.7	105.5	169.8	-80.3	167.6	0	0	0	108.8	T737 Y741 F743	T737-L745 HydrophobicContact CG2-CB 4.31Å; T737-L745 HydrophobicContact CG2-CD1 3.7Å; T737-L745 HydrophobicContact CG2-CG 4.3Å; Y741-L745 HydrophobicContact CD2-CD1 4.21Å; Y741-L745 HydrophobicContact CE2-CD1 4.1Å; F743-L745 HydrophobicContact CE2-CD2 4.15Å
746	H	71	Confident	65.7	Low	146 Å²	146	106.8 Å²	106.8	68%	0.676	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-90.3	150	172.1	-62.3	-51.3	0	0	0	111.2	E744	E744-H746 PolarHBondContact O-N 3.2Å; E744-H746 VanDerWaalsContact O-N 3.15Å; E744-H746 IonicContact OE2-CE1 3.15Å
747	S	72.3	Confident	66.7	Low	114 Å²	114	109.9 Å²	109.9	80%	0.797	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-55.2	131.4	168.4	-61.4	0	0	0	0	109.4
748	P	75	Confident	67.1	Low	57 Å²	57	112.7 Å²	112.7	37%	0.37	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-58.9	143.4	-178.2	20.9	-30.5	0	0	0	111	D752 L753 Y756	P748-D752 HydrophobicContact CB-CB 3.93Å; P748-L753 HydrophobicContact CB-CG 4.46Å; P748-L753 HydrophobicContact CG-CD2 3.95Å; P748-L753 HydrophobicContact CG-CG 4.16Å; P748-Y756 HydrophobicContact CB-CE2 3.93Å; P748-Y756 HydrophobicContact CG-CE2 4.12Å
749	C	81.1	Confident	67.1	Low	67 Å²	67	115.7 Å²	115.7	45%	0.453	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-65.7	162.7	178.1	74.9	0	0	0	0	110.8	A751 D752 L753	C749-A751 PolarHBondContact O-N 3.29Å; C749-D752 PolarHBondContact O-N 3.16Å; C749-D752 PolarHBondContact SG-N 2.92Å; C749-D752 PolarHBondContact SG-OD2 2.76Å; C749-L753 PolarHBondContact O-N 3.25Å
750	R	78.9	Confident	67.3	Low	217 Å²	217	114.1 Å²	114.1	82%	0.819	56%	0.559	S	S	*	*	H	α-helix	trans	-52.3	-31.1	176.1	-99.2	-177.5	173.6	168.5	-1.4	113.3	R754	R750-R754 WeakPolarHBondContact O-CG 3.44Å; R750-R754 PolarHBondContact O-N 2.88Å
751	A	80.4	Confident	67.3	Low	58 Å²	58	108.1 Å²	108.1	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-72.9	-35.5	178.1	0	0	0	0	0	112.8	C749 K755	C749-A751 PolarHBondContact O-N 3.29Å; A751-K755 PolarHBondContact O-N 3.41Å
752	D	77	Confident	66.7	Low	54 Å²	54	106.6 Å²	106.6	29%	0.289	55%	0.545	S	S	.	.	H	α-helix	trans	-78	-35.3	177.1	-65	-38	0	0	0	111.8	P748 C749 R754 K755 Y756	P748-D752 HydrophobicContact CB-CB 3.93Å; C749-D752 PolarHBondContact O-N 3.16Å; C749-D752 PolarHBondContact SG-N 2.92Å; C749-D752 PolarHBondContact SG-OD2 2.76Å; D752-R754 VanDerWaalsContact C-N 3.26Å; D752-R754 PolarHBondContact O-N 3Å; D752-K755 WeakPolarHBondContact O-CB 3.3Å; D752-K755 PolarHBondContact O-N 3.36Å; D752-K755 IonicContact OD1-NZ 2.76Å; D752-K755 PolarHBondContact OD1-NZ 2.85Å; D752-Y756 HydrophobicContact CB-CE2 4.24Å; D752-Y756 WeakPolarHBondContact O-CD2 3.39Å; D752-Y756 PolarHBondContact O-N 3.09Å
753	L	76.4	Confident	66.2	Low	81 Å²	81	109.7 Å²	109.7	42%	0.424	55%	0.548	S	S	.	.	H	α-helix	trans	-55.5	-41.6	169.9	-76.7	170.3	0	0	0	111.9	P748 C749 K755 Y756 E757	P748-L753 HydrophobicContact CB-CG 4.46Å; P748-L753 HydrophobicContact CG-CD2 3.95Å; P748-L753 HydrophobicContact CG-CG 4.16Å; C749-L753 PolarHBondContact O-N 3.25Å; L753-K755 VanDerWaalsContact C-N 3.3Å; L753-K755 PolarHBondContact O-N 3.34Å; L753-Y756 PolarHBondContact O-N 3.36Å; L753-E757 WeakPolarHBondContact O-CG 3.46Å; L753-E757 PolarHBondContact O-N 3.2Å
754	R	78	Confident	65.4	Low	178 Å²	178	112 Å²	112	67%	0.672	56%	0.558	S	S	*	*	H	α-helix	trans	-61.7	-35.2	174.6	-74.9	177.9	-179	-173.2	-0.2	113.2	R750 D752 L758	R750-R754 WeakPolarHBondContact O-CG 3.44Å; R750-R754 PolarHBondContact O-N 2.88Å; D752-R754 VanDerWaalsContact C-N 3.26Å; D752-R754 PolarHBondContact O-N 3Å; R754-L758 WeakPolarHBondContact O-CB 3.46Å; R754-L758 PolarHBondContact O-N 3.48Å
755	K	72.2	Confident	64.3	Low	117 Å²	117	117.4 Å²	117.4	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-42.5	175.4	-63.9	173.5	-167.7	153.6	0	110.8	A751 D752 L753 L758 Y759	A751-K755 PolarHBondContact O-N 3.41Å; D752-K755 WeakPolarHBondContact O-CB 3.3Å; D752-K755 PolarHBondContact O-N 3.36Å; D752-K755 IonicContact OD1-NZ 2.76Å; D752-K755 PolarHBondContact OD1-NZ 2.85Å; L753-K755 VanDerWaalsContact C-N 3.3Å; L753-K755 PolarHBondContact O-N 3.34Å; K755-L758 WeakPolarHBondContact O-CB 3.21Å; K755-L758 PolarHBondContact O-N 3.07Å; K755-Y759 WeakPolarHBondContact O-CD2 3.24Å; K755-Y759 PolarHBondContact O-N 3.41Å
756	Y	69.7	Low	63.2	Low	146 Å²	146	117.8 Å²	117.8	57%	0.573	58%	0.58	S	S	*	*	H	α-helix	trans	-64.3	-41.3	176.3	-64.5	-53.8	0	0	0	112.3	P748 D752 L753 L758 Y759 A760	P748-Y756 HydrophobicContact CB-CE2 3.93Å; P748-Y756 HydrophobicContact CG-CE2 4.12Å; D752-Y756 HydrophobicContact CB-CE2 4.24Å; D752-Y756 WeakPolarHBondContact O-CD2 3.39Å; D752-Y756 PolarHBondContact O-N 3.09Å; L753-Y756 PolarHBondContact O-N 3.36Å; Y756-L758 VanDerWaalsContact C-N 3.3Å; Y756-L758 PolarHBondContact O-N 2.9Å; Y756-Y759 PolarHBondContact O-N 3.15Å; Y756-A760 WeakPolarHBondContact O-CB 3.31Å; Y756-A760 PolarHBondContact O-N 2.78Å
757	E	70.6	Confident	61.4	Low	132 Å²	132	112.7 Å²	112.7	62%	0.617	57%	0.567	S	S	*	*	H	α-helix	trans	-58.1	-43.1	171.8	-76.3	173.8	172.8	0	0	111.3	L753 A760 A761	L753-E757 WeakPolarHBondContact O-CG 3.46Å; L753-E757 PolarHBondContact O-N 3.2Å; E757-A760 PolarHBondContact O-N 3.35Å; E757-A761 VanDerWaalsContact O-CB 3.26Å; E757-A761 WeakPolarHBondContact O-CB 3.41Å; E757-A761 PolarHBondContact O-N 3.27Å
758	L	59.1	Low	59.5	Low	115 Å²	115	116.7 Å²	116.7	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-62.1	-44.3	176.9	-157.4	98.3	0	0	0	111.9	R754 K755 Y756 A761 L762	R754-L758 WeakPolarHBondContact O-CB 3.46Å; R754-L758 PolarHBondContact O-N 3.48Å; K755-L758 WeakPolarHBondContact O-CB 3.21Å; K755-L758 PolarHBondContact O-N 3.07Å; Y756-L758 VanDerWaalsContact C-N 3.3Å; Y756-L758 PolarHBondContact O-N 2.9Å; L758-A761 PolarHBondContact O-N 2.86Å; L758-L762 HydrophobicContact CD2-CD1 4.44Å; L758-L762 WeakPolarHBondContact O-CB 3.38Å; L758-L762 PolarHBondContact O-N 2.94Å
759	Y	59	Low	57.3	Low	163 Å²	163	123.7 Å²	123.7	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-67.9	-40.8	177.4	-80.7	-65.8	0	0	0	112.8	K755 Y756 A761 L762 D763	K755-Y759 WeakPolarHBondContact O-CD2 3.24Å; K755-Y759 PolarHBondContact O-N 3.41Å; Y756-Y759 PolarHBondContact O-N 3.15Å; Y759-A761 VanDerWaalsContact C-N 3.31Å; Y759-A761 PolarHBondContact O-N 3.25Å; Y759-L762 WeakPolarHBondContact O-CB 3.3Å; Y759-L762 PolarHBondContact O-N 3.04Å; Y759-D763 PolarHBondContact O-N 3.07Å
760	A	59.2	Low	54.9	Low	55 Å²	55	124.2 Å²	124.2	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-67.2	-33.6	175.7	0	0	0	0	0	112	Y756 E757 K764	Y756-A760 WeakPolarHBondContact O-CB 3.31Å; Y756-A760 PolarHBondContact O-N 2.78Å; E757-A760 PolarHBondContact O-N 3.35Å; A760-K764 WeakPolarHBondContact O-CG 3.28Å; A760-K764 PolarHBondContact O-N 3.01Å
761	A	51.9	Low	52.4	Low	45 Å²	45	122.4 Å²	122.4	37%	0.372	62%	0.619	S	S	.	*	H	α-helix	trans	-68	-41.4	171.9	0	0	0	0	0	111.5	E757 L758 Y759 D763 K764 W765	E757-A761 VanDerWaalsContact O-CB 3.26Å; E757-A761 WeakPolarHBondContact O-CB 3.41Å; E757-A761 PolarHBondContact O-N 3.27Å; L758-A761 PolarHBondContact O-N 2.86Å; Y759-A761 VanDerWaalsContact C-N 3.31Å; Y759-A761 PolarHBondContact O-N 3.25Å; A761-D763 VanDerWaalsContact C-N 3.34Å; A761-D763 PolarHBondContact O-N 3.31Å; A761-K764 PolarHBondContact O-N 3.08Å; A761-W765 VanDerWaalsContact O-CD1 3.22Å; A761-W765 PolarHBondContact O-N 2.67Å
762	L	41.3	Very low	49.7	Very low	97 Å²	97	124.4 Å²	124.4	51%	0.508	63%	0.625	S	S	.	*	H	α-helix	trans	-58.8	-43.2	174.5	-95.5	151.8	0	0	0	112.3	L758 Y759 W765 T766	L758-L762 HydrophobicContact CD2-CD1 4.44Å; L758-L762 WeakPolarHBondContact O-CB 3.38Å; L758-L762 PolarHBondContact O-N 2.94Å; Y759-L762 WeakPolarHBondContact O-CB 3.3Å; Y759-L762 PolarHBondContact O-N 3.04Å; L762-W765 PolarHBondContact O-N 2.86Å; L762-T766 PolarHBondContact O-N 3.36Å; L762-T766 PolarHBondContact O-OG1 3.16Å
763	D	37.9	Very low	47.2	Very low	118 Å²	118	129.9 Å²	129.9	63%	0.631	65%	0.649	S	S	*	*	H	α-helix	trans	-65.2	-42.4	178.6	-165.4	51.3	0	0	0	112	Y759 A761 W765 T766 G767	Y759-D763 PolarHBondContact O-N 3.07Å; A761-D763 VanDerWaalsContact C-N 3.34Å; A761-D763 PolarHBondContact O-N 3.31Å; D763-W765 VanDerWaalsContact C-N 3.27Å; D763-W765 PolarHBondContact O-N 3.05Å; D763-T766 PolarHBondContact O-N 2.73Å; D763-T766 VanDerWaalsContact O-N 3.1Å; D763-T766 PolarHBondContact O-OG1 2.85Å; D763-G767 PolarHBondContact O-N 3.3Å
764	K	42	Very low	44.7	Very low	168 Å²	168	131.1 Å²	131.1	73%	0.73	66%	0.66	S	S	*	*	H	α-helix	trans	-64.6	-26.7	173.8	-77.2	-177.5	176.8	-174.5	0	114	A760 A761 T766	A760-K764 WeakPolarHBondContact O-CG 3.28Å; A760-K764 PolarHBondContact O-N 3.01Å; A761-K764 PolarHBondContact O-N 3.08Å; K764-T766 VanDerWaalsContact C-N 3.34Å
765	W	38.6	Very low	42.1	Very low	231 Å²	231	130.5 Å²	130.5	88%	0.875	67%	0.669	S	S	*	*	H	α-helix	trans	-76.1	-24.7	174.1	-91.8	70	0	0	0	112.6	A761 L762 D763	A761-W765 VanDerWaalsContact O-CD1 3.22Å; A761-W765 PolarHBondContact O-N 2.67Å; L762-W765 PolarHBondContact O-N 2.86Å; D763-W765 VanDerWaalsContact C-N 3.27Å; D763-W765 PolarHBondContact O-N 3.05Å
766	T	36.2	Very low	39.7	Very low	114 Å²	114	127.9 Å²	127.9	70%	0.699	68%	0.675	S	S	*	*	H	α-helix	trans	-95.6	-22.6	-177.9	50.3	0	0	0	0	114.2	L762 D763 K764	L762-T766 PolarHBondContact O-N 3.36Å; L762-T766 PolarHBondContact O-OG1 3.16Å; D763-T766 PolarHBondContact O-N 2.73Å; D763-T766 VanDerWaalsContact O-N 3.1Å; D763-T766 PolarHBondContact O-OG1 2.85Å; K764-T766 VanDerWaalsContact C-N 3.34Å
767	G	33.6	Very low	37.6	Very low	39 Å²	39	126.3 Å²	126.3	40%	0.402	69%	0.685	S	S	.	*	S	Bend	trans	-117.4	114.6	-176.2	0	0	0	0	0	112.3	D763	D763-G767 PolarHBondContact O-N 3.3Å
768	Q	31.3	Very low	35.3	Very low	199 Å²	199	126.1 Å²	126.1	93%	0.93	69%	0.693	S	S	*	*			trans	97.3	91.8	155.6	-52.7	-178.2	-14	0	0	117.2
769	Q	28.2	Very low	33.6	Very low	204 Å²	204	128.7 Å²	128.7	95%	0.953	71%	0.707	S	S	*	*			trans	-87.6	132.3	140.4	-72.8	-177.1	-19.6	0	0	108.1
770	G	31.1	Very low	32	Very low	78 Å²	78	129.9 Å²	129.9	80%	0.804	72%	0.715	S	S	*	*			trans	149.1	58.9	168.1	0	0	0	0	0	116.9
771	E	25.8	Very low	30.3	Very low	179 Å²	179	135.8 Å²	135.8	84%	0.836	74%	0.738	S	S	*	*			trans	-41.9	160.1	150.6	-76.2	175.5	172.9	0	0	113
772	T	25.4	Very low	29.2	Very low	100 Å²	100	138.3 Å²	138.3	61%	0.613	76%	0.759	S	S	*	*			cis	-175.5	150.4	18	15.6	0	0	0	0	107.9
773	E	23.3	Very low	28.7	Very low	169 Å²	169	137 Å²	137	79%	0.79	77%	0.769	S	S	*	*			trans	45.5	142.5	132.3	-62	179.5	173	0	0	121.6
774	T	24.7	Very low	28.2	Very low	106 Å²	106	140.5 Å²	140.5	65%	0.65	78%	0.779	S	S	*	*			cis	178.4	142	47.2	16.7	0	0	0	0	110.4
775	I	23.2	Very low	27.5	Very low	166 Å²	166	141.6 Å²	141.6	85%	0.851	79%	0.786	S	S	*	*				48.3	133.5	126.8	-49.8	175.4	0	0	0	121.6
776	G	22.5	Very low	27.1	Very low	62 Å²	62	136.3 Å²	136.3	64%	0.639	77%	0.767	S	S	*	*			trans	148.8	93	131.5	0	0	0	0	0	121.6
777	S	23.9	Very low	26.7	Very low	112 Å²	112	138 Å²	138	78%	0.783	77%	0.77	S	S	*	*			trans	46	117.1	133	61.8	0	0	0	0	124.2
778	T	23.1	Very low	26.4	Very low	128 Å²	128	141 Å²	141	79%	0.785	78%	0.782	S	S	*	*				31	126.4	116.4	-35.7	0	0	0	0	120.4
779	L	22.6	Very low	26.4	Very low	170 Å²	170	136.7 Å²	136.7	89%	0.89	77%	0.77	S	S	*	*			trans	-147.2	132.8	146.6	-100.4	168.9	0	0	0	113.1
780	K	25.3	Very low	26.6	Very low	187 Å²	187	131.8 Å²	131.8	81%	0.813	76%	0.755	S	S	*	*			trans	-79.2	155.8	167.5	-70.4	171.2	171.6	175.3	0	109.6
781	L	25.3	Very low	27.1	Very low	180 Å²	180	133.6 Å²	133.6	94%	0.942	75%	0.746	S	S	*	*			trans	-154.2	143.1	141.5	-134.3	92	0	0	0	112.9
782	A	27.1	Very low	27.6	Very low	97 Å²	97	130 Å²	130	80%	0.802	73%	0.732	S	S	*	*			trans	-97.8	156.7	-178.9	0	0	0	0	0	111.7
783	G	30.8	Very low	28.2	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	74%	0.741	S	S	*	*			trans	109	89.5	164.1	0	0	0	0	0	114.4
784	F	27.4	Very low	28.8	Very low	191 Å²	191	133.9 Å²	133.9	84%	0.838	74%	0.741	S	S	*	*			trans	-134.8	116.3	166.4	-109.9	-88.6	0	0	0	110.6
785	H	28	Very low	29.8	Very low	192 Å²	192	132.2 Å²	132.2	89%	0.889	75%	0.746	S	S	*	*			trans	-93	133.4	163.7	-81.3	-84.9	0	0	0	108.2
786	Y	29.6	Very low	30.9	Very low	119 Å²	119	130 Å²	130	47%	0.467	74%	0.739	S	S	.	*			trans	-117.8	133.1	-175.9	-180	-95.3	0	0	0	111.8	P788 V830	Y786-P788 HydrophobicContact CD1-CB 4.5Å; Y786-P788 HydrophobicContact CE1-CB 3.75Å; Y786-V830 HydrophobicContact CD1-CB 4.16Å; Y786-V830 HydrophobicContact CD1-CG1 4.11Å; Y786-V830 HydrophobicContact CD1-CG2 3.03Å; Y786-V830 HydrophobicContact CD2-CG2 4.04Å; Y786-V830 HydrophobicContact CE1-CB 3.9Å; Y786-V830 HydrophobicContact CE1-CG1 3.37Å; Y786-V830 HydrophobicContact CE1-CG2 3.24Å; Y786-V830 HydrophobicContact CE2-CG1 4.03Å; Y786-V830 HydrophobicContact CE2-CG2 4.25Å; Y786-V830 HydrophobicContact CG-CG2 3.42Å; Y786-V830 VanDerWaalsContact CG-CG2 3.42Å; Y786-V830 WeakPolarHBondContact OH-CG1 3.22Å
787	I	28.5	Very low	31.6	Very low	150 Å²	150	130.4 Å²	130.4	77%	0.769	73%	0.727	S	S	*	*			trans	-115.9	121.1	171.4	-60.4	173.6	0	0	0	106.9	T789	I787-T789 PolarHBondContact O-N 3.34Å
788	P	27.9	Very low	32.6	Very low	102 Å²	102	128 Å²	128	66%	0.662	71%	0.71	S	S	*	*			trans	-70.1	124.3	-171	23.5	-30.6	0	0	0	113.1	Y786	Y786-P788 HydrophobicContact CD1-CB 4.5Å; Y786-P788 HydrophobicContact CE1-CB 3.75Å
789	T	30.7	Very low	33.5	Very low	109 Å²	109	127.9 Å²	127.9	67%	0.669	71%	0.713	S	S	*	*			trans	-105.2	135.9	161.5	35.7	0	0	0	0	109.5	I787 L791	I787-T789 PolarHBondContact O-N 3.34Å; T789-L791 PolarHBondContact O-N 3.49Å
790	P	32.3	Very low	34.3	Very low	100 Å²	100	127 Å²	127	65%	0.649	71%	0.709	S	S	*	*			trans	-65.2	131	179.2	23.5	-29.4	0	0	0	110.9	N792	P790-N792 PolarHBondContact O-N 2.7Å
791	L	42.4	Very low	34.9	Very low	116 Å²	116	125.9 Å²	125.9	61%	0.607	70%	0.704	S	S	*	*	S	Bend	trans	-72.8	-3.6	-172.3	-94.9	159.9	0	0	0	115.3	T789 V834	T789-L791 PolarHBondContact O-N 3.49Å; L791-V834 HydrophobicContact CD1-CG2 4.01Å
792	N	35.1	Very low	35.9	Very low	103 Å²	103	121.4 Å²	121.4	55%	0.551	68%	0.684	S	S	*	*			trans	-155.4	126.6	174.7	-90.8	-19.3	0	0	0	110.7	P790	P790-N792 PolarHBondContact O-N 2.7Å
793	D	38.2	Very low	36.9	Very low	148 Å²	148	123.5 Å²	123.5	79%	0.791	68%	0.678	S	S	*	*			trans	-80.9	113.8	154.3	-95.3	-23.8	0	0	0	106.9	G795	D793-G795 PolarHBondContact O-N 2.84Å
794	Y	36.7	Very low	37.6	Very low	203 Å²	203	122.4 Å²	122.4	80%	0.796	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	20.1	175	-71.1	-83.1	0	0	0	113.9
795	G	45.8	Very low	38.8	Very low	72 Å²	72	116 Å²	116	74%	0.742	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-14.1	-178	0	0	0	0	0	115	D793	D793-G795 PolarHBondContact O-N 2.84Å
796	V	45.5	Very low	40	Very low	118 Å²	118	112.6 Å²	112.6	72%	0.715	62%	0.623	S	S	*	*	S	Bend	trans	-108.3	-25.2	-169.9	-167.7	0	0	0	0	113.9
797	D	36.9	Very low	41.4	Very low	71 Å²	71	108.7 Å²	108.7	38%	0.38	61%	0.612	S	S	.	*			trans	-81.9	140.8	-179.7	-69.7	-41.2	0	0	0	111.9	Q803	D797-Q803 PolarHBondContact OD1-N 3Å; D797-Q803 VanDerWaalsContact OD1-N 3.11Å
798	S	45.2	Very low	43.3	Very low	62 Å²	62	105 Å²	105	43%	0.434	60%	0.598	S	S	.	*	B	Isolated β-bridge	trans	-125.6	162	173.6	70.9	0	0	0	0	110.3	N800 K801	S798-N800 PolarHBondContact O-N 2.83Å; S798-K801 PolarHBondContact N-O 3.44Å; S798-K801 VanDerWaalsContact N-O 3.13Å; S798-K801 CarbonylContact O-C 3.53Å; S798-K801 PolarHBondContact O-N 3.49Å
799	C	43.1	Very low	45.2	Very low	125 Å²	125	104.1 Å²	104.1	85%	0.845	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-16.3	178.4	57.4	0	0	0	0	114.9
800	N	38.7	Very low	46.9	Very low	151 Å²	151	105.3 Å²	105.3	81%	0.807	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-6.2	-177.5	-60.3	-38.3	0	0	0	113.7	S798	S798-N800 PolarHBondContact O-N 2.83Å
801	K	37.5	Very low	48.5	Very low	165 Å²	165	102.6 Å²	102.6	72%	0.717	58%	0.578	S	S	*	*	B	Isolated β-bridge	trans	-156.9	117.7	-173.4	-165.4	178.8	-178.7	-174.2	0	110.4	S798	S798-K801 PolarHBondContact N-O 3.44Å; S798-K801 VanDerWaalsContact N-O 3.13Å; S798-K801 CarbonylContact O-C 3.53Å; S798-K801 PolarHBondContact O-N 3.49Å
802	V	47.8	Very low	49.4	Very low	85 Å²	85	99.2 Å²	99.2	52%	0.515	56%	0.56	S	S	.	*			trans	-116.5	130.7	178.8	179.8	0	0	0	0	108.4	P301	P301-V802 HydrophobicContact CB-CG1 4.18Å
803	Q	47.6	Very low	50.8	Low	142 Å²	142	98.5 Å²	98.5	66%	0.664	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-84.3	133.4	171.8	-170	170.1	-10.9	0	0	110.3	D797	D797-Q803 PolarHBondContact OD1-N 3Å; D797-Q803 VanDerWaalsContact OD1-N 3.11Å
804	Q	46	Very low	52	Low	46 Å²	46	93.8 Å²	93.8	22%	0.215	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-65.7	131	178.3	-67.7	-174.5	-31.9	0	0	110.4	P301 A345 Y349 V806	P301-Q804 WeakPolarHBondContact O-CG 3.45Å; A345-Q804 PolarHBondContact O-OE1 3.05Å; Y349-Q804 HydrophobicContact CD2-CB 4.28Å; Q804-V806 PolarHBondContact O-N 3.46Å
805	P	51.1	Low	53.1	Low	56 Å²	56	87.1 Å²	87.1	36%	0.364	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-68.5	131.7	178	25.6	-31.1	0	0	0	110.6	F302 Y349	F302-P805 HydrophobicContact CD1-CG 4.41Å; F302-P805 HydrophobicContact CE1-CG 3.93Å; Y349-P805 HydrophobicContact CE2-CG 4.47Å; Y349-P805 VanDerWaalsContact CE2-O 3.22Å; Y349-P805 WeakPolarHBondContact CE2-O 3.29Å
806	V	53.1	Low	53.6	Low	121 Å²	121	85.9 Å²	85.9	73%	0.733	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-96.9	125.3	174.6	179.7	0	0	0	0	108.6	Q804	Q804-V806 PolarHBondContact O-N 3.46Å
807	V	58.7	Low	54.3	Low	38 Å²	38	87.2 Å²	87.2	23%	0.23	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-85.4	125.6	178.5	-177.7	0	0	0	0	109.1	F353 A809 I812	F353-V807 HydrophobicContact CE1-CB 4.35Å; F353-V807 HydrophobicContact CE1-CG2 3.89Å; F353-V807 HydrophobicContact CZ-CG2 4.05Å; V807-A809 PolarHBondContact O-N 3.33Å; V807-I812 HydrophobicContact CB-CD1 4.32Å; V807-I812 HydrophobicContact CB-CG1 4.36Å; V807-I812 HydrophobicContact CG1-CD1 4.34Å; V807-I812 HydrophobicContact CG1-CG1 3.92Å
808	P	70	Confident	55.1	Low	73 Å²	73	86.6 Å²	86.6	47%	0.474	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57.4	137.8	175.9	-24.3	33.9	0	0	0	111.5	K810 S811 I812	P808-K810 PolarHBondContact O-N 3.42Å; P808-S811 WeakPolarHBondContact O-CB 3.25Å; P808-S811 PolarHBondContact O-N 2.89Å; P808-I812 PolarHBondContact O-N 3.47Å
809	A	66.2	Low	55.3	Low	82 Å²	82	86.3 Å²	86.3	68%	0.678	48%	0.48	S	S	*	.	H	α-helix	trans	-51	-33.3	-178.5	0	0	0	0	0	113.9	V807 S811 I812 E813	V807-A809 PolarHBondContact O-N 3.33Å; A809-S811 PolarHBondContact O-N 3.13Å; A809-I812 PolarHBondContact O-N 3.5Å; A809-E813 PolarHBondContact O-N 2.64Å
810	K	67.5	Low	55.5	Low	135 Å²	135	87 Å²	87	59%	0.587	48%	0.475	S	S	*	.	H	α-helix	trans	-64	-36.1	177.5	-164.7	174	-174.8	179.2	0	113.1	P808 E813 I814	P808-K810 PolarHBondContact O-N 3.42Å; K810-E813 PolarHBondContact O-N 3.35Å; K810-I814 HydrophobicContact CG-CD1 4.43Å; K810-I814 VanDerWaalsContact O-CG1 3.29Å; K810-I814 WeakPolarHBondContact O-CG1 3.46Å; K810-I814 PolarHBondContact O-N 3.01Å; K810-I814 VanDerWaalsContact O-N 3.13Å
811	S	64.7	Low	55.9	Low	43 Å²	43	82.9 Å²	82.9	30%	0.301	46%	0.457	S	S	.	.	H	α-helix	trans	-70.8	-37.9	177.6	-59.7	0	0	0	0	111.4	P808 A809 I814 Y815	P808-S811 WeakPolarHBondContact O-CB 3.25Å; P808-S811 PolarHBondContact O-N 2.89Å; A809-S811 PolarHBondContact O-N 3.13Å; S811-I814 PolarHBondContact O-N 2.91Å; S811-Y815 PolarHBondContact O-N 3Å
812	I	61.2	Low	56.2	Low	45 Å²	45	83.5 Å²	83.5	23%	0.231	47%	0.468	C	S	.	.	H	α-helix	trans	-62.7	-44.4	173.8	-64.7	155.3	0	0	0	110.6	Q352 V807 P808 A809 I814 Y815 S816	Q352-I812 HydrophobicContact CB-CD1 4.39Å; Q352-I812 HydrophobicContact CG-CD1 4.29Å; Q352-I812 VanDerWaalsContact O-CD1 3.27Å; Q352-I812 WeakPolarHBondContact O-CD1 3.2Å; V807-I812 HydrophobicContact CB-CD1 4.32Å; V807-I812 HydrophobicContact CB-CG1 4.36Å; V807-I812 HydrophobicContact CG1-CD1 4.34Å; V807-I812 HydrophobicContact CG1-CG1 3.92Å; P808-I812 PolarHBondContact O-N 3.47Å; A809-I812 PolarHBondContact O-N 3.5Å; I812-I814 PolarHBondContact O-N 3.45Å; I812-Y815 PolarHBondContact O-N 3.1Å; I812-S816 WeakPolarHBondContact O-CB 3.45Å; I812-S816 PolarHBondContact O-N 3.38Å; I812-S816 PolarHBondContact O-OG 3.12Å
813	E	66	Low	56	Low	87 Å²	87	83.5 Å²	83.5	41%	0.407	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-44.4	176.5	-170.3	-172.6	170.1	0	0	111.9	A809 K810 S816 R817	A809-E813 PolarHBondContact O-N 2.64Å; K810-E813 PolarHBondContact O-N 3.35Å; E813-S816 PolarHBondContact O-N 3.04Å; E813-S816 PolarHBondContact O-OG 2.61Å; E813-R817 WeakPolarHBondContact O-CG 3.32Å; E813-R817 PolarHBondContact O-N 3.47Å; E813-R817 IonicContact OE1-CZ 3.1Å; E813-R817 IonicContact OE1-NE 3.87Å; E813-R817 IonicContact OE1-NH1 3.42Å; E813-R817 PolarHBondContact OE1-NH1 2.83Å; E813-R817 IonicContact OE1-NH2 2.64Å; E813-R817 PolarHBondContact OE1-NH2 3.05Å
814	I	63.3	Low	55.9	Low	49 Å²	49	82.6 Å²	82.6	25%	0.251	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-45.7	178	-67.5	165.3	0	0	0	111.2	K810 S811 I812 R817 A818	K810-I814 HydrophobicContact CG-CD1 4.43Å; K810-I814 VanDerWaalsContact O-CG1 3.29Å; K810-I814 WeakPolarHBondContact O-CG1 3.46Å; K810-I814 PolarHBondContact O-N 3.01Å; K810-I814 VanDerWaalsContact O-N 3.13Å; S811-I814 PolarHBondContact O-N 2.91Å; I812-I814 PolarHBondContact O-N 3.45Å; I814-R817 PolarHBondContact O-N 2.88Å; I814-A818 PolarHBondContact O-N 3.11Å
815	Y	58.7	Low	56	Low	64 Å²	64	84.6 Å²	84.6	25%	0.251	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-47.7	177.2	-179.2	-88.9	0	0	0	111.3	D575 C577 S811 I812 R817 A818 A819 Y835	D575-Y815 PolarHBondContact OD2-OH 3.32Å; C577-Y815 HydrophobicContact CB-CE1 4.49Å; S811-Y815 PolarHBondContact O-N 3Å; I812-Y815 PolarHBondContact O-N 3.1Å; Y815-R817 VanDerWaalsContact C-N 3.29Å; Y815-R817 PolarHBondContact O-N 3.13Å; Y815-A818 PolarHBondContact O-N 3.04Å; Y815-A819 HydrophobicContact CD1-CB 4.4Å; Y815-A819 HydrophobicContact CE1-CB 4.09Å; Y815-A819 WeakPolarHBondContact O-CB 3.4Å; Y815-A819 PolarHBondContact O-N 2.94Å; Y815-Y835 HydrophobicContact CD2-CE1 4.34Å
816	S	56.5	Low	55.7	Low	45 Å²	45	91.4 Å²	91.4	32%	0.315	52%	0.521	S	S	.	.	H	α-helix	trans	-59.1	-39.5	178.4	70.4	0	0	0	0	112.3	I812 E813 L820	I812-S816 WeakPolarHBondContact O-CB 3.45Å; I812-S816 PolarHBondContact O-N 3.38Å; I812-S816 PolarHBondContact O-OG 3.12Å; E813-S816 PolarHBondContact O-N 3.04Å; E813-S816 PolarHBondContact O-OG 2.61Å; S816-L820 VanDerWaalsContact O-CB 3.24Å; S816-L820 WeakPolarHBondContact O-CB 3.43Å; S816-L820 VanDerWaalsContact O-CG 3.3Å; S816-L820 WeakPolarHBondContact O-CG 3.42Å; S816-L820 PolarHBondContact O-N 3.32Å
817	R	59.5	Low	55.7	Low	146 Å²	146	88.7 Å²	88.7	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-41.4	173.7	-77.4	-178.1	177.7	155.5	7.1	112.2	E813 I814 Y815 C821	E813-R817 WeakPolarHBondContact O-CG 3.32Å; E813-R817 PolarHBondContact O-N 3.47Å; E813-R817 IonicContact OE1-CZ 3.1Å; E813-R817 IonicContact OE1-NE 3.87Å; E813-R817 IonicContact OE1-NH1 3.42Å; E813-R817 PolarHBondContact OE1-NH1 2.83Å; E813-R817 IonicContact OE1-NH2 2.64Å; E813-R817 PolarHBondContact OE1-NH2 3.05Å; I814-R817 PolarHBondContact O-N 2.88Å; Y815-R817 VanDerWaalsContact C-N 3.29Å; Y815-R817 PolarHBondContact O-N 3.13Å; R817-C821 VanDerWaalsContact O-CB 3.28Å; R817-C821 WeakPolarHBondContact O-CB 3.41Å; R817-C821 PolarHBondContact O-N 3.02Å; R817-C821 VanDerWaalsContact O-N 3.1Å; R817-C821 VanDerWaalsContact O-O 3.11Å
818	A	54.4	Low	55.6	Low	58 Å²	58	89.5 Å²	89.5	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-72.7	-38.9	-179.6	0	0	0	0	0	113.2	I814 Y815	I814-A818 PolarHBondContact O-N 3.11Å; Y815-A818 PolarHBondContact O-N 3.04Å
819	A	50.6	Low	54.7	Low	57 Å²	57	92.6 Å²	92.6	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-74	-38.7	-179.6	0	0	0	0	0	112.8	Y815	Y815-A819 HydrophobicContact CD1-CB 4.4Å; Y815-A819 HydrophobicContact CE1-CB 4.09Å; Y815-A819 WeakPolarHBondContact O-CB 3.4Å; Y815-A819 PolarHBondContact O-N 2.94Å
820	L	47	Very low	54.1	Low	139 Å²	139	90.2 Å²	90.2	73%	0.728	50%	0.502	S	S	*	.	H	α-helix	trans	-88.8	-31.4	-175.9	-64.3	170.3	0	0	0	113.5	S816	S816-L820 VanDerWaalsContact O-CB 3.24Å; S816-L820 WeakPolarHBondContact O-CB 3.43Å; S816-L820 VanDerWaalsContact O-CG 3.3Å; S816-L820 WeakPolarHBondContact O-CG 3.42Å; S816-L820 PolarHBondContact O-N 3.32Å
821	C	45.7	Very low	53.4	Low	64 Å²	64	85 Å²	85	43%	0.432	48%	0.481	S	S	.	.	S	Bend	trans	-116.7	108.4	-179.7	-59.6	0	0	0	0	107.3	R817 T823	R817-C821 VanDerWaalsContact O-CB 3.28Å; R817-C821 WeakPolarHBondContact O-CB 3.41Å; R817-C821 PolarHBondContact O-N 3.02Å; R817-C821 VanDerWaalsContact O-N 3.1Å; R817-C821 VanDerWaalsContact O-O 3.11Å; C821-T823 HydrophobicContact CB-CG2 3.91Å; C821-T823 PolarHBondContact O-N 3.41Å; C821-T823 PolarHBondContact O-OG1 2.88Å; C821-T823 VanDerWaalsContact O-OG1 3.12Å
822	N	44.5	Very low	52.8	Low	178 Å²	178	85.4 Å²	85.4	95%	0.952	48%	0.481	S	S	*	.			trans	-59.6	58	167.6	-93.8	-20.7	0	0	0	111.4
823	T	43	Very low	52.3	Low	85 Å²	85	86.4 Å²	86.4	52%	0.521	49%	0.49	S	S	.	.			trans	-107.7	124.7	-175.9	46.2	0	0	0	0	108.7	C821 S825	C821-T823 HydrophobicContact CB-CG2 3.91Å; C821-T823 PolarHBondContact O-N 3.41Å; C821-T823 PolarHBondContact O-OG1 2.88Å; C821-T823 VanDerWaalsContact O-OG1 3.12Å; T823-S825 PolarHBondContact O-N 2.88Å
824	S	46.5	Very low	51.8	Low	124 Å²	124	85.3 Å²	85.3	87%	0.867	49%	0.489	S	S	*	.			trans	-74.3	36	-176.5	69.3	0	0	0	0	113.8	K826	S824-K826 PolarHBondContact O-N 3.18Å; S824-K826 VanDerWaalsContact O-N 3.11Å
825	S	47.8	Very low	51.2	Low	88 Å²	88	87.9 Å²	87.9	62%	0.615	50%	0.496	S	S	*	.			trans	-72.5	105.5	167.3	55	0	0	0	0	107.1	T823 P827	T823-S825 PolarHBondContact O-N 2.88Å; S825-P827 WeakPolarHBondContact O-CD 3.01Å; S825-P827 VanDerWaalsContact O-N 3.16Å
826	K	45.1	Very low	50.7	Low	199 Å²	199	89.7 Å²	89.7	87%	0.865	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-51	123	174.5	-81.8	-176.1	174.4	-177.6	0	108.3	S824	S824-K826 PolarHBondContact O-N 3.18Å; S824-K826 VanDerWaalsContact O-N 3.11Å
827	P	53.2	Low	50.3	Low	64 Å²	64	94.7 Å²	94.7	42%	0.416	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-55.5	149.7	172.7	20.3	-29.7	0	0	0	109.5	S825 D831 V832	S825-P827 WeakPolarHBondContact O-CD 3.01Å; S825-P827 VanDerWaalsContact O-N 3.16Å; P827-D831 HydrophobicContact CB-CB 4.18Å; P827-V832 HydrophobicContact CB-CG2 4.09Å; P827-V832 HydrophobicContact CG-CG2 3.68Å
828	S	55.4	Low	49.9	Very low	54 Å²	54	89.8 Å²	89.8	38%	0.378	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-60.8	149.7	177.3	77.7	0	0	0	0	109.7	V830 D831 V832	S828-V830 PolarHBondContact O-N 3.46Å; S828-D831 WeakPolarHBondContact CB-OD2 3.13Å; S828-D831 WeakPolarHBondContact O-CA 3.18Å; S828-D831 PolarHBondContact O-N 2.89Å; S828-D831 PolarHBondContact OG-N 3.11Å; S828-D831 PolarHBondContact OG-OD2 3.23Å; S828-V832 PolarHBondContact O-N 2.91Å
829	D	51.3	Low	49.4	Very low	138 Å²	138	89.5 Å²	89.5	74%	0.738	51%	0.51	S	S	*	.	H	α-helix	trans	-55.9	-25.8	179.3	-74.8	-23.2	0	0	0	112.3	T833	D829-T833 WeakPolarHBondContact O-CB 3.48Å; D829-T833 PolarHBondContact O-N 3.37Å; D829-T833 PolarHBondContact O-OG1 2.78Å
830	V	55	Low	48.9	Very low	32 Å²	32	91.9 Å²	91.9	19%	0.194	52%	0.515	C	S	.	.	H	α-helix	trans	-65.2	-49.6	173.1	-168	0	0	0	0	111.3	Y786 S828 T833 V834	Y786-V830 HydrophobicContact CD1-CB 4.16Å; Y786-V830 HydrophobicContact CD1-CG1 4.11Å; Y786-V830 HydrophobicContact CD1-CG2 3.03Å; Y786-V830 HydrophobicContact CD2-CG2 4.04Å; Y786-V830 HydrophobicContact CE1-CB 3.9Å; Y786-V830 HydrophobicContact CE1-CG1 3.37Å; Y786-V830 HydrophobicContact CE1-CG2 3.24Å; Y786-V830 HydrophobicContact CE2-CG1 4.03Å; Y786-V830 HydrophobicContact CE2-CG2 4.25Å; Y786-V830 HydrophobicContact CG-CG2 3.42Å; Y786-V830 VanDerWaalsContact CG-CG2 3.42Å; Y786-V830 WeakPolarHBondContact OH-CG1 3.22Å; S828-V830 PolarHBondContact O-N 3.46Å; V830-T833 WeakPolarHBondContact O-CB 3.48Å; V830-T833 PolarHBondContact O-N 2.84Å; V830-T833 VanDerWaalsContact O-N 3.16Å; V830-V834 WeakPolarHBondContact O-CG2 3.4Å; V830-V834 PolarHBondContact O-N 3.27Å
831	D	50.9	Low	48.6	Very low	27 Å²	27	88.9 Å²	88.9	14%	0.144	50%	0.504	C	S	.	.	H	α-helix	trans	-66.5	-42.3	179.5	-58.9	-46.9	0	0	0	109.8	P827 S828 T833 V834 Y835	P827-D831 HydrophobicContact CB-CB 4.18Å; S828-D831 WeakPolarHBondContact CB-OD2 3.13Å; S828-D831 WeakPolarHBondContact O-CA 3.18Å; S828-D831 PolarHBondContact O-N 2.89Å; S828-D831 PolarHBondContact OG-N 3.11Å; S828-D831 PolarHBondContact OG-OD2 3.23Å; D831-T833 PolarHBondContact O-N 3.25Å; D831-V834 PolarHBondContact O-N 3.22Å; D831-V834 VanDerWaalsContact O-N 3.1Å; D831-Y835 HydrophobicContact CB-CD2 4.34Å; D831-Y835 HydrophobicContact CB-CE2 4.17Å; D831-Y835 WeakPolarHBondContact O-CD2 3.47Å; D831-Y835 PolarHBondContact O-N 2.9Å
832	V	53.2	Low	48.3	Very low	50 Å²	50	88.8 Å²	88.8	30%	0.303	50%	0.504	S	S	.	.	H	α-helix	trans	-55.7	-41.7	172.1	176.4	0	0	0	0	110.6	P827 S828 Y835 L836	P827-V832 HydrophobicContact CB-CG2 4.09Å; P827-V832 HydrophobicContact CG-CG2 3.68Å; S828-V832 PolarHBondContact O-N 2.91Å; V832-Y835 PolarHBondContact O-N 3.31Å; V832-L836 HydrophobicContact CG1-CD1 3.77Å; V832-L836 HydrophobicContact CG1-CG 4.18Å; V832-L836 VanDerWaalsContact O-CB 3.25Å; V832-L836 WeakPolarHBondContact O-CB 3.36Å; V832-L836 VanDerWaalsContact O-CG 3.22Å; V832-L836 WeakPolarHBondContact O-CG 3.33Å; V832-L836 PolarHBondContact O-N 3.16Å
833	T	51.3	Low	47.9	Very low	66 Å²	66	85.5 Å²	85.5	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-38.3	177.6	-55.1	0	0	0	0	112.1	D829 V830 D831 R837	D829-T833 WeakPolarHBondContact O-CB 3.48Å; D829-T833 PolarHBondContact O-N 3.37Å; D829-T833 PolarHBondContact O-OG1 2.78Å; V830-T833 WeakPolarHBondContact O-CB 3.48Å; V830-T833 PolarHBondContact O-N 2.84Å; V830-T833 VanDerWaalsContact O-N 3.16Å; D831-T833 PolarHBondContact O-N 3.25Å; T833-R837 WeakPolarHBondContact O-CB 3.4Å; T833-R837 WeakPolarHBondContact O-CG 3.46Å; T833-R837 PolarHBondContact O-N 2.95Å
834	V	54	Low	47.5	Very low	65 Å²	65	85.7 Å²	85.7	39%	0.394	48%	0.481	S	S	.	.	H	α-helix	trans	-66.2	-45.7	174.7	173.3	0	0	0	0	110.8	L791 V830 D831 R837 A838	L791-V834 HydrophobicContact CD1-CG2 4.01Å; V830-V834 WeakPolarHBondContact O-CG2 3.4Å; V830-V834 PolarHBondContact O-N 3.27Å; D831-V834 PolarHBondContact O-N 3.22Å; D831-V834 VanDerWaalsContact O-N 3.1Å; V834-R837 PolarHBondContact O-N 2.62Å; V834-A838 WeakPolarHBondContact O-CB 3.45Å; V834-A838 PolarHBondContact O-N 2.88Å
835	Y	50.8	Low	47.2	Very low	102 Å²	102	84.7 Å²	84.7	40%	0.4	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-41.7	175.7	-73.4	-64.2	0	0	0	111.9	Y815 D831 V832 A838 A839	Y815-Y835 HydrophobicContact CD2-CE1 4.34Å; D831-Y835 HydrophobicContact CB-CD2 4.34Å; D831-Y835 HydrophobicContact CB-CE2 4.17Å; D831-Y835 WeakPolarHBondContact O-CD2 3.47Å; D831-Y835 PolarHBondContact O-N 2.9Å; V832-Y835 PolarHBondContact O-N 3.31Å; Y835-A838 PolarHBondContact O-N 3.47Å; Y835-A839 VanDerWaalsContact O-CB 3.24Å; Y835-A839 WeakPolarHBondContact O-CB 3.48Å; Y835-A839 PolarHBondContact O-N 3.31Å
836	L	48.6	Very low	46.5	Very low	103 Å²	103	85.7 Å²	85.7	54%	0.539	46%	0.462	S	S	.	.	H	α-helix	trans	-64.8	-39.5	175.1	-76.7	173.4	0	0	0	111.7	V832 L840	V832-L836 HydrophobicContact CG1-CD1 3.77Å; V832-L836 HydrophobicContact CG1-CG 4.18Å; V832-L836 VanDerWaalsContact O-CB 3.25Å; V832-L836 WeakPolarHBondContact O-CB 3.36Å; V832-L836 VanDerWaalsContact O-CG 3.22Å; V832-L836 WeakPolarHBondContact O-CG 3.33Å; V832-L836 PolarHBondContact O-N 3.16Å; L836-L840 VanDerWaalsContact O-CB 3.24Å; L836-L840 WeakPolarHBondContact O-CB 3.37Å; L836-L840 WeakPolarHBondContact O-CD1 3.5Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 2.89Å
837	R	48.9	Very low	46.1	Very low	149 Å²	149	80.4 Å²	80.4	56%	0.562	45%	0.446	S	S	*	.	H	α-helix	trans	-64.9	-42.3	173.6	-79.8	-180	-177.4	-178.8	1.4	111.9	T833 V834 L840 C841	T833-R837 WeakPolarHBondContact O-CB 3.4Å; T833-R837 WeakPolarHBondContact O-CG 3.46Å; T833-R837 PolarHBondContact O-N 2.95Å; V834-R837 PolarHBondContact O-N 2.62Å; R837-L840 PolarHBondContact O-N 3.15Å; R837-C841 WeakPolarHBondContact O-CB 3.33Å; R837-C841 PolarHBondContact O-N 3.34Å; R837-C841 PolarHBondContact O-SG 3.1Å
838	A	49.9	Very low	45.1	Very low	43 Å²	43	86.8 Å²	86.8	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-66.6	-41.3	176.8	0	0	0	0	0	112	V834 Y835 C841 S842	V834-A838 WeakPolarHBondContact O-CB 3.45Å; V834-A838 PolarHBondContact O-N 2.88Å; Y835-A838 PolarHBondContact O-N 3.47Å; A838-C841 PolarHBondContact O-N 2.9Å; A838-S842 PolarHBondContact O-N 3.31Å
839	A	44.7	Very low	44.1	Very low	52 Å²	52	87.4 Å²	87.4	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-42.1	174.5	0	0	0	0	0	111.9	Y835 C841 S842 E843	Y835-A839 VanDerWaalsContact O-CB 3.24Å; Y835-A839 WeakPolarHBondContact O-CB 3.48Å; Y835-A839 PolarHBondContact O-N 3.31Å; A839-C841 VanDerWaalsContact C-N 3.32Å; A839-C841 PolarHBondContact O-N 2.79Å; A839-S842 WeakPolarHBondContact O-CB 3.22Å; A839-S842 PolarHBondContact O-N 2.95Å; A839-E843 PolarHBondContact O-N 3.31Å
840	L	39.8	Very low	43.2	Very low	108 Å²	108	90 Å²	90	57%	0.565	48%	0.482	S	S	*	.	H	α-helix	trans	-62.4	-37.6	172.3	-83.4	162.1	0	0	0	111.7	L836 R837 L844	L836-L840 VanDerWaalsContact O-CB 3.24Å; L836-L840 WeakPolarHBondContact O-CB 3.37Å; L836-L840 WeakPolarHBondContact O-CD1 3.5Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 2.89Å; R837-L840 PolarHBondContact O-N 3.15Å; L840-L844 VanDerWaalsContact O-CB 3.24Å; L840-L844 WeakPolarHBondContact O-CB 3.33Å; L840-L844 WeakPolarHBondContact O-CG 3.24Å; L840-L844 PolarHBondContact O-N 3.36Å
841	C	41.9	Very low	42.7	Very low	75 Å²	75	93 Å²	93	51%	0.507	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-39.5	172.8	-69	0	0	0	0	111.6	R837 A838 A839 L844 V845	R837-C841 WeakPolarHBondContact O-CB 3.33Å; R837-C841 PolarHBondContact O-N 3.34Å; R837-C841 PolarHBondContact O-SG 3.1Å; A838-C841 PolarHBondContact O-N 2.9Å; A839-C841 VanDerWaalsContact C-N 3.32Å; A839-C841 PolarHBondContact O-N 2.79Å; C841-L844 PolarHBondContact O-N 3.44Å; C841-V845 WeakPolarHBondContact O-CB 3.33Å; C841-V845 WeakPolarHBondContact O-CG2 3.24Å; C841-V845 PolarHBondContact O-N 2.82Å
842	S	38.8	Very low	42.2	Very low	62 Å²	62	96.4 Å²	96.4	43%	0.434	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-43.5	174.3	-172.7	0	0	0	0	112.1	A838 A839 V845 K846	A838-S842 PolarHBondContact O-N 3.31Å; A839-S842 WeakPolarHBondContact O-CB 3.22Å; A839-S842 PolarHBondContact O-N 2.95Å; S842-V845 PolarHBondContact O-N 2.92Å; S842-K846 WeakPolarHBondContact O-CB 3.25Å; S842-K846 WeakPolarHBondContact O-CG 3.44Å; S842-K846 PolarHBondContact O-N 2.91Å
843	E	35.1	Very low	41.6	Very low	109 Å²	109	99 Å²	99	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-40.7	174.6	-87.6	-72.9	137.7	0	0	112.4	A839 K846 T847	A839-E843 PolarHBondContact O-N 3.31Å; E843-K846 WeakPolarHBondContact O-CB 3.48Å; E843-K846 PolarHBondContact O-N 2.68Å; E843-T847 PolarHBondContact O-N 2.82Å; E843-T847 PolarHBondContact O-OG1 3.46Å
844	L	35.7	Very low	41	Very low	90 Å²	90	100.9 Å²	100.9	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-41.7	173.5	-83.3	162.9	0	0	0	111.4	L840 C841 K846 T847 Y848	L840-L844 VanDerWaalsContact O-CB 3.24Å; L840-L844 WeakPolarHBondContact O-CB 3.33Å; L840-L844 WeakPolarHBondContact O-CG 3.24Å; L840-L844 PolarHBondContact O-N 3.36Å; C841-L844 PolarHBondContact O-N 3.44Å; L844-K846 VanDerWaalsContact C-N 3.33Å; L844-K846 PolarHBondContact O-N 3.5Å; L844-T847 WeakPolarHBondContact CA-OG1 3.37Å; L844-T847 PolarHBondContact O-N 2.82Å; L844-T847 PolarHBondContact O-OG1 2.84Å; L844-Y848 HydrophobicContact CD2-CD2 4.39Å; L844-Y848 HydrophobicContact CD2-CE2 4.14Å; L844-Y848 WeakPolarHBondContact O-CB 3.32Å; L844-Y848 WeakPolarHBondContact O-CD2 3.4Å; L844-Y848 PolarHBondContact O-N 3.47Å
845	V	39.2	Very low	40.2	Very low	102 Å²	102	103.2 Å²	103.2	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-63.2	-41.3	173.6	169.9	0	0	0	0	110.2	C841 S842 S849	C841-V845 WeakPolarHBondContact O-CB 3.33Å; C841-V845 WeakPolarHBondContact O-CG2 3.24Å; C841-V845 PolarHBondContact O-N 2.82Å; S842-V845 PolarHBondContact O-N 2.92Å; V845-S849 WeakPolarHBondContact O-CB 3.24Å; V845-S849 PolarHBondContact O-N 2.83Å; V845-S849 PolarHBondContact O-OG 2.8Å; V845-S849 VanDerWaalsContact O-OG 3.04Å
846	K	33.6	Very low	39.5	Very low	109 Å²	109	103.3 Å²	103.3	47%	0.474	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-43.9	174.7	-77.4	175.2	-179	177.8	0	112.8	S842 E843 L844 S849 N850	S842-K846 WeakPolarHBondContact O-CB 3.25Å; S842-K846 WeakPolarHBondContact O-CG 3.44Å; S842-K846 PolarHBondContact O-N 2.91Å; E843-K846 WeakPolarHBondContact O-CB 3.48Å; E843-K846 PolarHBondContact O-N 2.68Å; L844-K846 VanDerWaalsContact C-N 3.33Å; L844-K846 PolarHBondContact O-N 3.5Å; K846-S849 WeakPolarHBondContact CA-OG 3.39Å; K846-S849 PolarHBondContact O-N 3.42Å; K846-S849 PolarHBondContact O-OG 3.01Å; K846-N850 PolarHBondContact O-N 2.67Å
847	T	36	Very low	38.9	Very low	88 Å²	88	103.3 Å²	103.3	54%	0.54	55%	0.553	S	S	.	*	H	α-helix	trans	-74.3	-27.6	-179.3	30.4	0	0	0	0	113.8	E843 L844	E843-T847 PolarHBondContact O-N 2.82Å; E843-T847 PolarHBondContact O-OG1 3.46Å; L844-T847 WeakPolarHBondContact CA-OG1 3.37Å; L844-T847 PolarHBondContact O-N 2.82Å; L844-T847 PolarHBondContact O-OG1 2.84Å
848	Y	32.1	Very low	38.1	Very low	199 Å²	199	99.8 Å²	99.8	78%	0.78	55%	0.553	S	S	*	*	H	α-helix	trans	-85.1	-16.7	171.1	-86.4	-83.3	0	0	0	113.4	L844	L844-Y848 HydrophobicContact CD2-CD2 4.39Å; L844-Y848 HydrophobicContact CD2-CE2 4.14Å; L844-Y848 WeakPolarHBondContact O-CB 3.32Å; L844-Y848 WeakPolarHBondContact O-CD2 3.4Å; L844-Y848 PolarHBondContact O-N 3.47Å
849	S	36	Very low	37.1	Very low	67 Å²	67	104.5 Å²	104.5	47%	0.469	57%	0.569	S	S	.	*	H	α-helix	trans	-87.2	-19.5	177.1	69.9	0	0	0	0	114.7	V845 K846	V845-S849 WeakPolarHBondContact O-CB 3.24Å; V845-S849 PolarHBondContact O-N 2.83Å; V845-S849 PolarHBondContact O-OG 2.8Å; V845-S849 VanDerWaalsContact O-OG 3.04Å; K846-S849 WeakPolarHBondContact CA-OG 3.39Å; K846-S849 PolarHBondContact O-N 3.42Å; K846-S849 PolarHBondContact O-OG 3.01Å
850	N	32.6	Very low	36.4	Very low	193 Å²	193	109.3 Å²	109.3	100%	1.032	58%	0.582	S	S	*	*			trans	-91.1	0	167.7	-75.2	-31.1	0	0	0	109.8	K846	K846-N850 PolarHBondContact O-N 2.67Å

Retrieved 850 of 850 residues in 1787.1 ms (Link to these results)

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