A0A077Z5X9_TRITR Loading...

Metabotropic glutamate receptor 7

AlphaFold DB , UniProt , Accession A0A077Z5X9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 843 aa.

						>A0A077Z5X9_TRITR|A0A077Z5X9
MVFPASLCLWIAASAISKLQCRAQVGDEPPAVTVEFEIHRDIDSKEIKIDGDIMIGGLFPIHEDGSPEGRHCGAVKPDKGIQRLEAMLYAVDKINMDDQLLPTIKLGVHIMDTCHQDTHALERTLELIRSTFAMEYTQKYRCRTYDSPFDVAIPKPVAAVIGAASSQVSAMVSNVLRLFKTPQISYSSTSVELSDKSRFGYFSRVVPPDTFQAQAMADVVKQLGWNFVAVLADEGSYGEPAYEAFRLIASRQGICISIYEKVRRYYRDEDFLKLIMALHKERSVGVVTFCHEDNIRKLMKAVVELKLTGRFAWLGSDNWGTKRAAVAQHPSASFGAITIQPKSGVNEDFNLYFTSLRPESNHRNVWFDEFWEKQFNCSLSSLACKAHSLQEHHVQEAYVSSVIDAVYLFAHSLHRLLLDNCYGVPFKQCNVSKHIDGEALLKYIRTVKFNGTNNEEISLDSKGDRKARYNIYQFHDLHKYYVPVGEWIGRDFLKGLYQFPCATPGNCCWTCLPCNTETSIMPNKTSCIPCKIGYLPDEYKSECVRMIPQYIKWNTWWAIVPATFSTFGILASLFVLYIFVQFNNTPLIKASGRELCYVMLAGIIACYCMTFPLLNPPSKVSCGILRIGIGVSACTIYAAIFTKTLRLARIFNAEAHQLRDLRFLSPIAQLIICSFIISIQALTAFVWIVVEKPEVVVLYPTRLIAIVSCKGAAVMFPISMIFNILLIILCTVYAFKTRKIPENFNETKYIGFTMYATCIVWLAFIPIYFGAFVDCVEWPMFAFQIQTTSLCICVSLCGTVALCCFFAPKMYIVIFQPEKNVVRMKKEHIRTMQAMRDHIWNLQ
					

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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	32.2	Very low	36.4	Very low	239 Å²	239	140.4 Å²	140.4	100%	1.177	76%	0.757	S	S	*	*				0	108.4	0	-82.9	173.1	-132	0	0	108
2	V	31.9	Very low	36.5	Very low	145 Å²	145	133.4 Å²	133.4	88%	0.879	73%	0.733	S	S	*	*			trans	23.1	104.3	162.1	-161.8	0	0	0	0	118.9
3	F	29	Very low	36.8	Very low	205 Å²	205	128.2 Å²	128.2	90%	0.899	72%	0.719	S	S	*	*			trans	-113.6	136.8	153.6	-104.3	-91.1	0	0	0	108.3
4	P	39.6	Very low	36.7	Very low	92 Å²	92	125.2 Å²	125.2	60%	0.597	71%	0.71	S	S	*	*			trans	-84.3	135	-166.8	32.7	-32.4	0	0	0	112.7	S6	P4-S6 PolarHBondContact O-N 2.97Å
5	A	41	Very low	36.5	Very low	89 Å²	89	122.4 Å²	122.4	74%	0.736	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	14.4	177.5	0	0	0	0	0	114.9
6	S	42.8	Very low	36.6	Very low	78 Å²	78	123.9 Å²	123.9	55%	0.545	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	-13.8	-171.7	49	0	0	0	0	114.7	P4	P4-S6 PolarHBondContact O-N 2.97Å
7	L	36.2	Very low	36.3	Very low	132 Å²	132	122.1 Å²	122.1	69%	0.691	71%	0.708	S	S	*	*	H	α-helix	trans	-82.8	-29.4	-178.7	-147.6	75.4	0	0	0	113.2
8	C	35.7	Very low	36.1	Very low	105 Å²	105	126.2 Å²	126.2	71%	0.709	72%	0.716	S	S	*	*	H	α-helix	trans	-72.6	-27.6	178.4	-77.8	0	0	0	0	113.5	A12	C8-A12 PolarHBondContact O-N 3.17Å
9	L	39.2	Very low	35.7	Very low	132 Å²	132	129.2 Å²	129.2	69%	0.691	73%	0.728	S	S	*	*	H	α-helix	trans	-78.5	-25.2	178.6	-92.3	145.6	0	0	0	112.9	A13	L9-A13 VanDerWaalsContact O-CB 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 2.78Å; L9-A13 VanDerWaalsContact O-N 3.12Å
10	W	33.2	Very low	35.3	Very low	207 Å²	207	132.4 Å²	132.4	78%	0.784	74%	0.737	S	S	*	*	H	α-helix	trans	-77.7	-35.8	177	-117.5	77.4	0	0	0	112.7	A13 S14	W10-A13 PolarHBondContact O-N 3.39Å; W10-S14 PolarHBondContact O-N 3.32Å
11	I	39.6	Very low	35	Very low	120 Å²	120	132.3 Å²	132.3	62%	0.615	74%	0.744	S	S	*	*	H	α-helix	trans	-71.3	-36.4	176.6	-61.1	171.9	0	0	0	110.5
12	A	37.9	Very low	34.9	Very low	57 Å²	57	132.6 Å²	132.6	47%	0.471	73%	0.732	S	S	.	*	H	α-helix	trans	-73.3	-29.6	175.2	0	0	0	0	0	113.8	C8	C8-A12 PolarHBondContact O-N 3.17Å
13	A	39.7	Very low	34.7	Very low	66 Å²	66	130.5 Å²	130.5	55%	0.545	73%	0.73	S	S	.	*	H	α-helix	trans	-82.5	-25.1	179.9	0	0	0	0	0	113.9	L9 W10 A15	L9-A13 VanDerWaalsContact O-CB 3.23Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 2.78Å; L9-A13 VanDerWaalsContact O-N 3.12Å; W10-A13 PolarHBondContact O-N 3.39Å; A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.09Å
14	S	35.9	Very low	35	Very low	86 Å²	86	129.7 Å²	129.7	60%	0.601	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-10.5	177.9	79.4	0	0	0	0	114.5	W10	W10-S14 PolarHBondContact O-N 3.32Å
15	A	34.1	Very low	34.5	Very low	83 Å²	83	132.4 Å²	132.4	69%	0.686	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	1.1	-177.4	0	0	0	0	0	114.6	A13	A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.09Å
16	I	37.3	Very low	34.2	Very low	147 Å²	147	131.5 Å²	131.5	75%	0.754	74%	0.743	S	S	*	*	S	Bend	trans	-115.3	-7.3	-170.7	-62	176	0	0	0	113.4
17	S	32.9	Very low	33.7	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	76%	0.759	S	S	*	*	S	Bend	trans	-109.7	77.5	-178	66.6	0	0	0	0	113
18	K	31.3	Very low	33.7	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	77%	0.766	S	S	*	*	S	Bend	trans	172.3	79	157	-99.5	169.4	-173.9	-173.6	0	109.2
19	L	29.4	Very low	33.6	Very low	182 Å²	182	139.2 Å²	139.2	95%	0.953	77%	0.773	S	S	*	*			trans	-173.5	81.9	157.1	-102	141.3	0	0	0	108.5
20	Q	27.6	Very low	33.4	Very low	194 Å²	194	137.9 Å²	137.9	91%	0.907	77%	0.773	S	S	*	*			trans	-120.5	95.3	168.4	-158.1	166.9	-2.5	0	0	105.6
21	C	29.4	Very low	33.3	Very low	131 Å²	131	133.1 Å²	133.1	89%	0.885	78%	0.777	S	S	*	*			trans	-132.6	117	166.6	-92.4	0	0	0	0	109.1
22	R	29.2	Very low	32.9	Very low	244 Å²	244	132.7 Å²	132.7	92%	0.921	78%	0.78	S	S	*	*			trans	-70.2	125.3	179.9	-130.7	172.9	-175.4	172.2	0	108.2	Q24	R22-Q24 PolarHBondContact O-N 2.81Å
23	A	28.8	Very low	32.4	Very low	102 Å²	102	136.5 Å²	136.5	84%	0.843	80%	0.798	S	S	*	*			trans	-77.1	117.4	167	0	0	0	0	0	109.1
24	Q	33.4	Very low	32	Very low	187 Å²	187	138.7 Å²	138.7	87%	0.874	80%	0.804	S	S	*	*			trans	-111.2	126.5	162.2	-109.7	-178.1	-37.4	0	0	108.1	R22	R22-Q24 PolarHBondContact O-N 2.81Å
25	V	31.1	Very low	31.6	Very low	150 Å²	150	142 Å²	142	91%	0.909	81%	0.81	S	S	*	*			trans	-70.7	127.5	178.8	177.3	0	0	0	0	108.9
26	G	33.9	Very low	31.4	Very low	69 Å²	69	146.6 Å²	146.6	71%	0.711	82%	0.815	S	S	*	*			trans	-167.4	118.3	173.2	0	0	0	0	0	109.9	E28	G26-E28 PolarHBondContact O-N 3.28Å
27	D	31.6	Very low	30.9	Very low	165 Å²	165	147.4 Å²	147.4	88%	0.882	82%	0.815	S	S	*	*			trans	-61.9	113.6	-179.4	-72	-52.9	0	0	0	112.2
28	E	35.8	Very low	31	Very low	180 Å²	180	148 Å²	148	84%	0.841	81%	0.81	S	S	*	*			trans	176.7	139.2	147.3	-104.1	172.2	-178.4	0	0	109.1	G26 P30	G26-E28 PolarHBondContact O-N 3.28Å; E28-P30 VanDerWaalsContact O-CD 3.23Å; E28-P30 WeakPolarHBondContact O-CD 3.16Å
29	P	34.2	Very low	31	Very low	133 Å²	133	147.9 Å²	147.9	86%	0.864	81%	0.812	S	S	*	*			trans	-93.6	120.3	-175.9	33.9	-27.2	0	0	0	111.4
30	P	35.4	Very low	31.3	Very low	104 Å²	104	148.8 Å²	148.8	68%	0.675	80%	0.803	S	S	*	*			trans	-104.9	137.7	153.1	33.9	-25.4	0	0	0	109.9	E28 V32	E28-P30 VanDerWaalsContact O-CD 3.23Å; E28-P30 WeakPolarHBondContact O-CD 3.16Å; P30-V32 PolarHBondContact O-N 2.93Å
31	A	30.4	Very low	32	Very low	107 Å²	107	146.4 Å²	146.4	88%	0.884	80%	0.796	S	S	*	*			trans	-57	117.1	169.5	0	0	0	0	0	110
32	V	32	Very low	32.5	Very low	110 Å²	110	147.6 Å²	147.6	67%	0.667	79%	0.792	S	S	*	*			trans	-123.3	98.6	172.7	-177.2	0	0	0	0	108.5	P30 V34	P30-V32 PolarHBondContact O-N 2.93Å; V32-V34 HydrophobicContact CG1-CG2 4.14Å; V32-V34 PolarHBondContact O-N 2.79Å
33	T	28	Very low	33.5	Very low	138 Å²	138	143.2 Å²	143.2	85%	0.847	79%	0.787	S	S	*	*			trans	-61.1	106.6	156.9	21.5	0	0	0	0	108.1	E35	T33-E35 PolarHBondContact O-N 2.97Å; T33-E35 VanDerWaalsContact O-N 3.16Å
34	V	29.7	Very low	35.2	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	76%	0.762	S	S	*	*			trans	-81.4	91.1	172.3	-177.6	0	0	0	0	107.8	V32 F36	V32-V34 HydrophobicContact CG1-CG2 4.14Å; V32-V34 PolarHBondContact O-N 2.79Å; V34-F36 HydrophobicContact CG1-CD2 4.17Å; V34-F36 HydrophobicContact CG1-CE2 4.18Å
35	E	27.3	Very low	37.6	Very low	157 Å²	157	136.5 Å²	136.5	73%	0.734	74%	0.742	S	S	*	*			trans	-80	113.4	166.9	-144.9	166.8	-170.6	0	0	107.6	T33 E37	T33-E35 PolarHBondContact O-N 2.97Å; T33-E35 VanDerWaalsContact O-N 3.16Å; E35-E37 PolarHBondContact O-N 2.85Å
36	F	30.7	Very low	40.4	Very low	179 Å²	179	133.2 Å²	133.2	79%	0.785	72%	0.716	S	S	*	*			trans	-71.8	82.2	171.4	-96.6	-91	0	0	0	108.8	V34 I38	V34-F36 HydrophobicContact CG1-CD2 4.17Å; V34-F36 HydrophobicContact CG1-CE2 4.18Å; F36-I38 VanDerWaalsContact C-N 3.27Å; F36-I38 PolarHBondContact O-N 2.79Å
37	E	26.2	Very low	43.3	Very low	163 Å²	163	130.1 Å²	130.1	76%	0.762	68%	0.684	S	S	*	*			trans	-80.8	76.9	174	-147.7	166.7	-158.1	0	0	109.2	E35 H39	E35-E37 PolarHBondContact O-N 2.85Å; E37-H39 PolarHBondContact O-N 3.31Å
38	I	36.1	Very low	46.1	Very low	107 Å²	107	127.5 Å²	127.5	55%	0.549	66%	0.664	S	S	.	*			trans	-68.5	113.6	161.1	-62.3	168.4	0	0	0	105	F36 R40	F36-I38 VanDerWaalsContact C-N 3.27Å; F36-I38 PolarHBondContact O-N 2.79Å; I38-R40 PolarHBondContact O-N 3.21Å
39	H	30.2	Very low	48.9	Very low	192 Å²	192	121.2 Å²	121.2	89%	0.889	64%	0.636	S	S	*	*			trans	-16.6	90.7	175.3	-91.2	-55.7	0	0	0	112.4	E37 D41	E37-H39 PolarHBondContact O-N 3.31Å; H39-D41 PolarHBondContact O-N 3.08Å
40	R	36.8	Very low	51.6	Low	202 Å²	202	120.2 Å²	120.2	76%	0.762	62%	0.623	S	S	*	*			trans	-72.4	119.4	161.9	-75.4	-173.2	-159.6	-177.9	9.1	104.6	I38 I42	I38-R40 PolarHBondContact O-N 3.21Å; R40-I42 PolarHBondContact O-N 2.92Å; R40-I42 VanDerWaalsContact O-N 3.12Å
41	D	41.7	Very low	54.3	Low	144 Å²	144	115.7 Å²	115.7	77%	0.77	60%	0.596	S	S	*	*			trans	-60.3	116.1	158	-138.5	-7.3	0	0	0	105.3	H39 D43	H39-D41 PolarHBondContact O-N 3.08Å; D41-D43 PolarHBondContact O-N 3.46Å
42	I	39.4	Very low	57.2	Low	156 Å²	156	113.1 Å²	113.1	80%	0.8	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	1.2	-160.9	-78.1	167.5	0	0	0	113.5	R40	R40-I42 PolarHBondContact O-N 2.92Å; R40-I42 VanDerWaalsContact O-N 3.12Å
43	D	50.3	Low	60.1	Low	151 Å²	151	108.2 Å²	108.2	81%	0.807	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	19.2	-172.5	-85.4	-31.8	0	0	0	116.5	D41 K45	D41-D43 PolarHBondContact O-N 3.46Å; D43-K45 PolarHBondContact O-N 2.94Å
44	S	64.5	Low	63.2	Low	44 Å²	44	102 Å²	102	31%	0.308	50%	0.499	S	S	.	.			trans	-76.8	93.6	174.5	65.8	0	0	0	0	112.3	E46	S44-E46 PolarHBondContact O-N 3.14Å
45	K	84.4	Confident	66.3	Low	105 Å²	105	96.7 Å²	96.7	46%	0.457	47%	0.466	S	S	.	.			trans	-59.5	130.6	169.4	-67.6	-176.5	-177.4	-179.2	0	110.5	D43 V365 W366 E369	D43-K45 PolarHBondContact O-N 2.94Å; K45-V365 HydrophobicContact CB-CG2 3.91Å; K45-V365 HydrophobicContact CD-CG2 4.37Å; K45-V365 HydrophobicContact CG-CG2 4.49Å; K45-W366 HydrophobicContact CB-CZ2 3.77Å; K45-W366 VanDerWaalsContact O-CZ2 3.23Å; K45-W366 WeakPolarHBondContact O-CZ2 3.35Å; K45-E369 IonicContact NZ-OE2 2.76Å
46	E	90.1	Very high	69.6	Low	80 Å²	80	89.2 Å²	89.2	37%	0.374	43%	0.432	S	S	.	.			trans	-138.2	155.1	172.5	63.6	172.9	-163.2	0	0	110.2	S44 H109 M111	S44-E46 PolarHBondContact O-N 3.14Å; E46-H109 IonicContact OE1-NE2 2.94Å; E46-H109 IonicContact OE2-CD2 2.72Å; E46-H109 IonicContact OE2-CE1 3.47Å; E46-H109 IonicContact OE2-NE2 3.3Å; E46-H109 PolarHBondContact OE2-NE2 3.31Å; E46-M111 HydrophobicContact CB-CE 4.27Å; E46-M111 HydrophobicContact CB-SD 3.65Å; E46-M111 WeakPolarHBondContact OE2-CE 3.27Å
47	I	93.5	Very high	72.7	Confident	5 Å²	5	80.7 Å²	80.7	3%	0.026	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.3	168.4	-62.9	171	0	0	0	108.4	I49 L84 H109 I110 R363 N364 V365 W366	I47-I49 HydrophobicContact CG2-CD1 4.28Å; I47-I49 HydrophobicContact CG2-CG1 4.11Å; I47-L84 HydrophobicContact CD1-CD1 3.89Å; I47-L84 HydrophobicContact CD1-CD2 3.9Å; I47-L84 HydrophobicContact CD1-CG 4.32Å; I47-H109 CarbonylContact O-C 3.58Å; I47-H109 VanDerWaalsContact O-CA 3.31Å; I47-H109 WeakPolarHBondContact O-CA 3.23Å; I47-I110 HydrophobicContact CB-CB 4.16Å; I47-I110 PolarHBondContact N-O 2.95Å; I47-I110 VanDerWaalsContact N-O 3.09Å; I47-I110 PolarHBondContact O-N 3.44Å; I47-R363 WeakPolarHBondContact CG1-O 3.36Å; I47-R363 WeakPolarHBondContact CG2-O 3.48Å; I47-N364 HydrophobicContact CD1-CB 4.22Å; I47-V365 HydrophobicContact CG1-CG2 4.03Å; I47-W366 HydrophobicContact CD1-CE3 3.81Å; I47-W366 HydrophobicContact CD1-CZ3 3.53Å; I47-W366 HydrophobicContact CG1-CE3 4.11Å; I47-W366 HydrophobicContact CG1-CH2 4.4Å; I47-W366 HydrophobicContact CG1-CZ3 3.57Å
48	K	92.2	Very high	76.1	Confident	110 Å²	110	73 Å²	73	48%	0.478	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.1	175.1	-171.4	177.7	177.8	-177.7	0	110.1	M54 V108	K48-M54 HydrophobicContact CG-CE 4.49Å; K48-V108 WeakPolarHBondContact CA-O 3.45Å
49	I	93.7	Very high	79	Confident	48 Å²	48	67.9 Å²	67.9	25%	0.246	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.9	176.9	-55.7	176.9	0	0	0	107.7	I47 M54 L88 G107 V108 R363	I47-I49 HydrophobicContact CG2-CD1 4.28Å; I47-I49 HydrophobicContact CG2-CG1 4.11Å; I49-M54 WeakPolarHBondContact O-CE 3.29Å; I49-L88 HydrophobicContact CD1-CD2 3.87Å; I49-G107 CarbonylContact O-C 3.54Å; I49-G107 WeakPolarHBondContact O-CA 3.39Å; I49-V108 HydrophobicContact CB-CG2 3.79Å; I49-V108 HydrophobicContact CD1-CG2 3.84Å; I49-V108 HydrophobicContact CG1-CG2 3.9Å; I49-V108 PolarHBondContact N-O 3.07Å; I49-V108 PolarHBondContact O-N 2.84Å; I49-R363 HydrophobicContact CD1-CB 4.39Å
50	D	91.9	Very high	82	Confident	111 Å²	111	58.8 Å²	58.8	59%	0.594	29%	0.29	S	S	*	.			trans	-71.8	141.7	-175	-69.8	-31.5	0	0	0	113.1	K105	D50-K105 PolarHBondContact O-NZ 3.49Å
51	G	91.5	Very high	84.8	Confident	10 Å²	10	49.1 Å²	49.1	10%	0.103	25%	0.253	C	S	.	.			trans	-148.2	-179.2	172	0	0	0	0	0	111.9	K105 K155	G51-K105 CarbonylContact C-O 3.47Å; G51-K105 WeakPolarHBondContact CA-O 3.3Å; G51-K155 WeakPolarHBondContact O-CD 3.46Å; G51-K155 PolarHBondContact O-NZ 3.42Å
52	D	90.9	Very high	87.2	Confident	52 Å²	52	43 Å²	43	28%	0.278	22%	0.22	S	C	.	.	S	Bend	trans	-65.3	-41.7	172.2	-68.2	-49.7	0	0	0	111.7	I104 K105 K155 F426	D52-I104 HydrophobicContact CB-CG2 3.98Å; D52-K105 WeakPolarHBondContact CA-O 3.09Å; D52-K105 WeakPolarHBondContact CB-O 3.13Å; D52-K105 PolarHBondContact N-O 2.95Å; D52-K105 PolarHBondContact OD2-N 3.17Å; D52-K155 PolarHBondContact O-NZ 2.69Å; D52-F426 HydrophobicContact CB-CE1 3.99Å
53	I	92.7	Very high	89.4	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.6	177.7	-62.8	169.6	0	0	0	108.9	I104 K105 L106 G107 A158 F409 L413 F426 I435	I53-I104 HydrophobicContact CD1-CG2 3.88Å; I53-I104 HydrophobicContact CG1-CG2 4.31Å; I53-K105 PolarHBondContact N-O 3.16Å; I53-L106 HydrophobicContact CB-CD2 4.14Å; I53-L106 HydrophobicContact CG2-CD2 4.44Å; I53-G107 PolarHBondContact O-N 2.62Å; I53-A158 HydrophobicContact CG2-CB 3.82Å; I53-F409 HydrophobicContact CG2-CZ 4.26Å; I53-L413 HydrophobicContact CD1-CD1 4.06Å; I53-L413 HydrophobicContact CD1-CD2 3.57Å; I53-L413 HydrophobicContact CD1-CG 4.27Å; I53-L413 HydrophobicContact CG2-CD2 4.24Å; I53-F426 HydrophobicContact CD1-CE1 4.46Å; I53-F426 HydrophobicContact CD1-CE2 3.9Å; I53-F426 HydrophobicContact CD1-CZ 3.6Å; I53-F426 HydrophobicContact CG1-CE1 4.32Å; I53-F426 HydrophobicContact CG1-CE2 4.48Å; I53-F426 HydrophobicContact CG1-CZ 3.7Å; I53-I435 HydrophobicContact CB-CD1 4.45Å; I53-I435 HydrophobicContact CD1-CD1 3.81Å; I53-I435 HydrophobicContact CG1-CD1 3.95Å; I53-I435 HydrophobicContact CG2-CD1 3.66Å
54	M	93.6	Very high	90.8	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.034	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.4	-178.4	-59.6	-58.8	-66.3	0	0	111.5	K48 I49 V108 H109 K155 V157 A158	K48-M54 HydrophobicContact CG-CE 4.49Å; I49-M54 WeakPolarHBondContact O-CE 3.29Å; M54-V108 WeakPolarHBondContact CE-O 3.36Å; M54-H109 HydrophobicContact CE-CB 4.46Å; M54-K155 HydrophobicContact CG-CB 3.73Å; M54-V157 HydrophobicContact CB-CG2 4.44Å; M54-A158 PolarHBondContact O-N 3.11Å
55	I	95.3	Very high	91.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.9	173.6	-52.2	171.5	0	0	0	109	M87 L106 G107 V108 H109 I161 F409	I55-M87 HydrophobicContact CB-CE 4.22Å; I55-M87 HydrophobicContact CG2-CE 3.82Å; I55-L106 HydrophobicContact CD1-CB 4.34Å; I55-L106 HydrophobicContact CD1-CD1 3.94Å; I55-L106 HydrophobicContact CD1-CD2 4.19Å; I55-L106 HydrophobicContact CD1-CG 4.39Å; I55-G107 PolarHBondContact N-O 2.8Å; I55-V108 CarbonylContact O-C 3.49Å; I55-V108 VanDerWaalsContact O-CA 3.27Å; I55-V108 WeakPolarHBondContact O-CA 3.28Å; I55-H109 PolarHBondContact O-N 3.32Å; I55-I161 HydrophobicContact CG2-CG1 3.77Å; I55-F409 HydrophobicContact CD1-CD1 3.34Å; I55-F409 HydrophobicContact CD1-CE1 3.23Å; I55-F409 HydrophobicContact CD1-CG 4.28Å; I55-F409 HydrophobicContact CD1-CZ 4.07Å; I55-F409 HydrophobicContact CG1-CD1 3.94Å; I55-F409 HydrophobicContact CG1-CE1 3.45Å; I55-F409 VanDerWaalsContact CG1-CE1 3.45Å; I55-F409 HydrophobicContact CG1-CZ 3.76Å
56	G	95.8	Very high	90.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.7	177.1	0	0	0	0	0	111.7	H109 A159 V160 I161	G56-H109 CarbonylContact C-O 3.47Å; G56-H109 VanDerWaalsContact CA-O 3.3Å; G56-H109 WeakPolarHBondContact CA-O 3.43Å; G56-A159 PolarHBondContact N-O 2.93Å; G56-V160 CarbonylContact O-C 3.52Å; G56-V160 WeakPolarHBondContact O-CA 3.45Å; G56-I161 PolarHBondContact O-N 3.47Å
57	G	96.9	Very high	89.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.9	174.8	0	0	0	0	0	111.6	H109 I110 M111 I161	G57-H109 PolarHBondContact N-O 3.32Å; G57-I110 WeakPolarHBondContact O-CA 3.47Å; G57-M111 PolarHBondContact O-N 3.41Å; G57-I161 WeakPolarHBondContact CA-O 3.29Å
58	L	96.9	Very high	88.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.1	174.9	-68.2	177.1	0	0	0	109.6	M111 T113 L127 V160 I161 A163 V172 Y186	L58-M111 HydrophobicContact CD2-CB 4.02Å; L58-T113 HydrophobicContact CB-CG2 3.75Å; L58-T113 HydrophobicContact CD2-CG2 4.07Å; L58-T113 HydrophobicContact CG-CG2 4.41Å; L58-L127 HydrophobicContact CD2-CD2 4.45Å; L58-V160 HydrophobicContact CD1-CG1 3.73Å; L58-V160 HydrophobicContact CG-CG1 3.85Å; L58-I161 PolarHBondContact N-O 2.92Å; L58-A163 HydrophobicContact CB-CB 4.13Å; L58-A163 HydrophobicContact CD1-CB 4.46Å; L58-V172 HydrophobicContact CD1-CB 4.43Å; L58-V172 HydrophobicContact CD1-CG1 3.63Å; L58-V172 HydrophobicContact CD1-CG2 3.98Å; L58-Y186 PolarHBondContact O-OH 3.45Å
59	F	96.6	Very high	86.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.2	-178.5	-61	-82.5	0	0	0	111.6	I61 R83 L84 M87 I110 M111 D112 T113 Y186 V402	F59-I61 VanDerWaalsContact C-N 3.3Å; F59-I61 HydrophobicContact CB-CG1 4.17Å; F59-I61 PolarHBondContact O-N 2.96Å; F59-I61 VanDerWaalsContact O-N 3.13Å; F59-R83 HydrophobicContact CD1-CB 3.74Å; F59-R83 HydrophobicContact CE1-CB 3.98Å; F59-R83 WeakPolarHBondContact CE1-O 3.29Å; F59-L84 HydrophobicContact CD2-CB 4.25Å; F59-L84 HydrophobicContact CG-CB 4.28Å; F59-M87 HydrophobicContact CE2-CB 4.19Å; F59-M87 HydrophobicContact CE2-SD 3.52Å; F59-M87 VanDerWaalsContact CE2-SD 3.52Å; F59-M87 HydrophobicContact CZ-CB 3.7Å; F59-M87 HydrophobicContact CZ-CG 4.27Å; F59-M87 HydrophobicContact CZ-SD 3.59Å; F59-M87 VanDerWaalsContact CZ-SD 3.59Å; F59-I110 HydrophobicContact CD2-CG2 3.56Å; F59-I110 HydrophobicContact CE2-CD1 4.36Å; F59-I110 HydrophobicContact CE2-CG2 3.98Å; F59-M111 PolarHBondContact N-O 2.94Å; F59-D112 CarbonylContact O-C 3.41Å; F59-D112 WeakPolarHBondContact O-CA 3.43Å; F59-D112 VanDerWaalsContact O-OD1 3.11Å; F59-T113 PolarHBondContact O-N 2.91Å; F59-T113 PolarHBondContact O-OG1 2.94Å; F59-Y186 AromaticContact CD1-CE1 3.91Å; F59-Y186 HydrophobicContact CD1-CE1 3.91Å; F59-Y186 AromaticContact CD1-CZ 3.63Å; F59-Y186 WeakPolarHBondContact CD1-OH 3.31Å; F59-Y186 HydrophobicContact CE1-CD1 4.33Å; F59-Y186 AromaticContact CE1-CE1 3.51Å; F59-Y186 HydrophobicContact CE1-CE1 3.51Å; F59-Y186 AromaticContact CE1-CZ 3.69Å; F59-Y186 HydrophobicContact CZ-CE1 4.24Å; F59-V402 HydrophobicContact CE1-CG1 4.11Å; F59-V402 HydrophobicContact CE1-CG2 4.2Å; F59-V402 HydrophobicContact CZ-CG1 4.25Å
60	P	93.7	Very high	85.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.196	C	C	.	.			trans	-84.2	76.7	173.6	34.6	-33.6	0	0	0	109.3	H62 K79 G80 T113 H115 A164	P60-H62 VanDerWaalsContact C-N 3.28Å; P60-K79 HydrophobicContact CG-CB 4.49Å; P60-G80 VanDerWaalsContact O-CA 3.26Å; P60-G80 WeakPolarHBondContact O-CA 3.33Å; P60-T113 VanDerWaalsContact CA-OG1 3.22Å; P60-T113 WeakPolarHBondContact CA-OG1 3.44Å; P60-H115 HydrophobicContact CB-CB 4.31Å; P60-A164 HydrophobicContact CG-CB 3.81Å
61	I	94.7	Very high	84.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.			trans	-66.9	-38.1	-176.4	-51.8	-178.1	0	0	0	109.5	F59 V75 K76 I81 L84 D112 W366	F59-I61 VanDerWaalsContact C-N 3.3Å; F59-I61 HydrophobicContact CB-CG1 4.17Å; F59-I61 PolarHBondContact O-N 2.96Å; F59-I61 VanDerWaalsContact O-N 3.13Å; I61-V75 HydrophobicContact CG2-CG2 4.16Å; I61-V75 CarbonylContact O-C 3.6Å; I61-V75 WeakPolarHBondContact O-CA 3.29Å; I61-K76 PolarHBondContact O-N 3.44Å; I61-I81 HydrophobicContact CG2-CD1 3.93Å; I61-L84 HydrophobicContact CD1-CD1 3.56Å; I61-L84 HydrophobicContact CG1-CD1 4.22Å; I61-D112 HydrophobicContact CB-CB 4.21Å; I61-D112 WeakPolarHBondContact CB-OD1 3.42Å; I61-D112 HydrophobicContact CD1-CB 3.9Å; I61-D112 HydrophobicContact CG1-CB 4.09Å; I61-D112 PolarHBondContact N-OD1 3.47Å; I61-W366 HydrophobicContact CD1-CD2 3.48Å; I61-W366 VanDerWaalsContact CD1-CD2 3.48Å; I61-W366 HydrophobicContact CD1-CE3 3.25Å; I61-W366 HydrophobicContact CD1-CG 4.29Å; I61-W366 HydrophobicContact CD1-CH2 3.45Å; I61-W366 VanDerWaalsContact CD1-CH2 3.45Å; I61-W366 HydrophobicContact CD1-CZ2 3.67Å; I61-W366 HydrophobicContact CD1-CZ3 3.21Å; I61-W366 HydrophobicContact CG2-CB 3.94Å; I61-W366 HydrophobicContact CG2-CD2 4.08Å; I61-W366 HydrophobicContact CG2-CG 3.78Å
62	H	91.8	Very high	84.6	Confident	15 Å²	15	39.9 Å²	39.9	7%	0.069	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-113.2	159.9	176	-60.5	90.5	0	0	0	113.3	P60 C72 G73 A74 V75 D112 C114 W366 E369	P60-H62 VanDerWaalsContact C-N 3.28Å; H62-C72 HydrophobicContact CB-CB 3.58Å; H62-G73 PolarHBondContact CD2-O 2.9Å; H62-G73 VanDerWaalsContact CD2-O 3.3Å; H62-A74 CarbonylContact C-O 3.51Å; H62-A74 WeakPolarHBondContact CA-O 3.34Å; H62-V75 PolarHBondContact CD2-N 2.93Å; H62-D112 IonicContact CE1-OD2 2.76Å; H62-D112 IonicContact CG-OD2 2.7Å; H62-D112 IonicContact ND1-OD2 2.92Å; H62-D112 PolarHBondContact ND1-OD2 3.48Å; H62-C114 CarbonylContact O-C 3.52Å; H62-C114 WeakPolarHBondContact O-CA 3.29Å; H62-W366 AromaticContact CE1-CD1 3.52Å; H62-W366 AromaticContact CE1-NE1 3.71Å; H62-E369 IonicContact CD2-OE1 3.82Å; H62-E369 IonicContact NE2-OE1 3.6Å; H62-E369 PolarHBondContact NE2-OE1 3.29Å; H62-E369 VanDerWaalsContact NE2-OE1 3.11Å; H62-E369 IonicContact NE2-OE2 4Å; H62-E369 PolarHBondContact NE2-OE2 3.33Å
63	E	85.7	Confident	84.4	Confident	49 Å²	49	38.7 Å²	38.7	23%	0.229	21%	0.207	C	C	.	.			trans	-60.3	161.6	164.7	-75.1	177.2	-159.4	0	0	112	G73 A74 K76 R296	E63-G73 PolarHBondContact O-N 3.49Å; E63-A74 PolarHBondContact N-O 3.32Å; E63-K76 HydrophobicContact CG-CD 4.34Å; E63-K76 HydrophobicContact CG-CG 4.04Å; E63-R296 IonicContact OE1-NH2 2.75Å; E63-R296 IonicContact OE2-NH2 3.54Å; E63-R296 PolarHBondContact OE2-NH2 3.3Å
64	D	81.1	Confident	84.1	Confident	36 Å²	36	40 Å²	40	19%	0.193	22%	0.22	C	C	.	.			trans	-65.6	138.9	173.5	64.1	-28.5	0	0	0	110.8	C114	D64-C114 WeakPolarHBondContact CA-O 3.31Å
65	G	76	Confident	84	Confident	17 Å²	17	39.9 Å²	39.9	18%	0.175	22%	0.219	C	C	.	.			trans	-80.5	-166.2	-174.3	0	0	0	0	0	114.8	H71	G65-H71 WeakPolarHBondContact CA-O 3.35Å
66	S	68.9	Low	83.8	Confident	56 Å²	56	40.3 Å²	40.3	39%	0.392	22%	0.221	S	C	.	.			trans	-60.8	157.5	165.9	69	0	0	0	0	110.9	E68 G69	S66-E68 PolarHBondContact O-N 2.82Å; S66-G69 PolarHBondContact O-N 3Å
67	P	66.7	Low	83.3	Confident	86 Å²	86	41.6 Å²	41.6	56%	0.558	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.6	-178	-23.6	31.7	0	0	0	115.1	G69 Y265	P67-G69 PolarHBondContact O-N 3.14Å; P67-Y265 HydrophobicContact CB-CD1 4.02Å; P67-Y265 HydrophobicContact CB-CD2 4.33Å; P67-Y265 HydrophobicContact CB-CE1 3.8Å; P67-Y265 HydrophobicContact CB-CE2 4.1Å; P67-Y265 HydrophobicContact CB-CG 4.27Å; P67-Y265 HydrophobicContact CG-CD1 3.73Å; P67-Y265 HydrophobicContact CG-CE1 3.94Å; P67-Y265 HydrophobicContact CG-CG 4.07Å
68	E	64.7	Low	82.8	Confident	139 Å²	139	43.6 Å²	43.6	65%	0.65	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.1	176.6	-61.5	-176.6	-169.7	0	0	113.2	S66 R70	S66-E68 PolarHBondContact O-N 2.82Å; E68-R70 PolarHBondContact O-N 3.17Å; E68-R70 VanDerWaalsContact O-N 3.16Å; E68-R70 IonicContact OE2-NH1 3.21Å; E68-R70 PolarHBondContact OE2-NH1 3.3Å
69	G	61.8	Low	82.3	Confident	12 Å²	12	44 Å²	44	12%	0.124	24%	0.242	C	C	.	.			trans	69.4	7.2	173.1	0	0	0	0	0	116.1	S66 P67	S66-G69 PolarHBondContact O-N 3Å; P67-G69 PolarHBondContact O-N 3.14Å
70	R	68.2	Low	82.1	Confident	180 Å²	180	44 Å²	44	68%	0.679	24%	0.242	S	C	*	.	S	Bend	trans	-79.3	-32.7	-176.3	-70.2	-173.9	178.8	131.7	-7.6	114.2	E68	E68-R70 PolarHBondContact O-N 3.17Å; E68-R70 VanDerWaalsContact O-N 3.16Å; E68-R70 IonicContact OE2-NH1 3.21Å; E68-R70 PolarHBondContact OE2-NH1 3.3Å
71	H	77.9	Confident	82.2	Confident	137 Å²	137	44 Å²	44	63%	0.634	24%	0.242	S	C	*	.	S	Bend	trans	-127.7	129	-176.3	-59.8	-60.1	0	0	0	109.6	G65	G65-H71 WeakPolarHBondContact CA-O 3.35Å
72	C	87.1	Confident	82.2	Confident	42 Å²	42	44.2 Å²	44.2	28%	0.284	24%	0.243	S	C	.	.			trans	-72.9	160.2	175.3	-50.7	0	0	0	0	110.8	H62 C114	H62-C72 HydrophobicContact CB-CB 3.58Å; C72-C114 HydrophobicContact CB-CB 3.59Å; C72-C114 WeakPolarHBondContact CB-SG 3.41Å; C72-C114 WeakPolarHBondContact SG-CB 3.36Å; C72-C114 CovalentContact SG-SG 2Å; C72-C114 PolarHBondContact SG-SG 3.4Å
73	G	86.3	Confident	82.4	Confident	28 Å²	28	43.6 Å²	43.6	29%	0.289	24%	0.24	S	C	.	.			trans	-78.2	-156.4	178.4	0	0	0	0	0	112.8	H62 E63	H62-G73 PolarHBondContact CD2-O 2.9Å; H62-G73 VanDerWaalsContact CD2-O 3.3Å; E63-G73 PolarHBondContact O-N 3.49Å
74	A	87.4	Confident	82.9	Confident	36 Å²	36	41.2 Å²	41.2	30%	0.298	23%	0.229	S	C	.	.	S	Bend	trans	-69.4	151	176.9	0	0	0	0	0	112.1	H62 E63	H62-A74 CarbonylContact C-O 3.51Å; H62-A74 WeakPolarHBondContact CA-O 3.34Å; E63-A74 PolarHBondContact N-O 3.32Å
75	V	91.5	Very high	83.6	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.024	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-59.3	143.4	173.9	68.3	0	0	0	0	111.4	I61 H62 P77 I81 E369 F370 K373	I61-V75 HydrophobicContact CG2-CG2 4.16Å; I61-V75 CarbonylContact O-C 3.6Å; I61-V75 WeakPolarHBondContact O-CA 3.29Å; H62-V75 PolarHBondContact CD2-N 2.93Å; V75-P77 VanDerWaalsContact O-CD 3.26Å; V75-P77 WeakPolarHBondContact O-CD 3.31Å; V75-I81 HydrophobicContact CG2-CD1 3.99Å; V75-I81 HydrophobicContact CG2-CG1 3.89Å; V75-E369 HydrophobicContact CB-CG 4.26Å; V75-E369 HydrophobicContact CG1-CG 4.15Å; V75-F370 HydrophobicContact CG2-CB 4.41Å; V75-K373 HydrophobicContact CG1-CB 3.59Å; V75-K373 HydrophobicContact CG1-CG 3.73Å
76	K	89.4	Confident	84.7	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.035	21%	0.211	C	C	.	.			trans	-102.8	100.3	177.7	-69.1	-167.3	171.7	-159.3	0	110.7	I61 E63 D78 K79 G80 I81 E292 D293	I61-K76 PolarHBondContact O-N 3.44Å; E63-K76 HydrophobicContact CG-CD 4.34Å; E63-K76 HydrophobicContact CG-CG 4.04Å; K76-D78 PolarHBondContact O-N 3.24Å; K76-K79 HydrophobicContact CD-CB 4.4Å; K76-G80 VanDerWaalsContact O-CA 3.29Å; K76-G80 WeakPolarHBondContact O-CA 3.5Å; K76-G80 PolarHBondContact O-N 3.22Å; K76-I81 PolarHBondContact O-N 2.95Å; K76-I81 VanDerWaalsContact O-N 3.15Å; K76-E292 IonicContact NZ-OE1 2.79Å; K76-E292 PolarHBondContact NZ-OE1 2.91Å; K76-D293 IonicContact NZ-OD1 3.55Å; K76-D293 IonicContact NZ-OD2 3.2Å; K76-D293 PolarHBondContact NZ-OD2 2.86Å
77	P	86.9	Confident	86	Confident	28 Å²	28	36 Å²	36	18%	0.182	19%	0.193	C	C	.	.	I	π-helix	trans	-47.5	-54.5	175.3	-35.3	40.3	0	0	0	113.9	V75 Q82 F370	V75-P77 VanDerWaalsContact O-CD 3.26Å; V75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-Q82 PolarHBondContact O-N 3.5Å; P77-F370 HydrophobicContact CB-CD2 4.09Å; P77-F370 HydrophobicContact CB-CE2 3.77Å; P77-F370 HydrophobicContact CG-CD2 4.22Å; P77-F370 HydrophobicContact CG-CE2 4.28Å
78	D	84.9	Confident	87.5	Confident	42 Å²	42	32 Å²	32	23%	0.225	17%	0.167	C	C	.	.	I	π-helix	trans	-82.1	-62	-169.5	-58	-24.8	0	0	0	111.6	K76 G80 Q82 E396	K76-D78 PolarHBondContact O-N 3.24Å; D78-G80 PolarHBondContact O-N 3.44Å; D78-Q82 WeakPolarHBondContact O-CB 3.4Å; D78-Q82 PolarHBondContact OD1-NE2 3.32Å; D78-E396 HydrophobicContact CB-CB 4.26Å; D78-E396 HydrophobicContact CB-CG 3.98Å
79	K	87.7	Confident	89.1	Confident	8 Å²	8	26.2 Å²	26.2	4%	0.035	14%	0.139	C	C	.	.	I	π-helix	trans	-72.8	-25.8	-175.8	-74.5	-163.3	-171.2	154.6	0	114.5	P60 K76 R83 E292 N318 K322	P60-K79 HydrophobicContact CG-CB 4.49Å; K76-K79 HydrophobicContact CD-CB 4.4Å; K79-R83 WeakPolarHBondContact O-CD 3.48Å; K79-R83 WeakPolarHBondContact O-CG 3.25Å; K79-E292 WeakPolarHBondContact CD-OE1 3.1Å; K79-E292 WeakPolarHBondContact CE-OE1 3.13Å; K79-E292 WeakPolarHBondContact CE-OE2 3.07Å; K79-E292 IonicContact NZ-OE1 3.98Å; K79-E292 PolarHBondContact NZ-OE1 3.22Å; K79-E292 IonicContact NZ-OE2 3.11Å; K79-E292 PolarHBondContact NZ-OE2 3.39Å; K79-E292 VanDerWaalsContact NZ-OE2 3.15Å; K79-N318 PolarHBondContact NZ-OD1 2.71Å; K79-K322 HydrophobicContact CD-CD 4.39Å; K79-K322 HydrophobicContact CG-CD 4.17Å
80	G	92.6	Very high	90.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-91.9	-73.3	-177	0	0	0	0	0	110.4	P60 K76 D78 R83 L84	P60-G80 VanDerWaalsContact O-CA 3.26Å; P60-G80 WeakPolarHBondContact O-CA 3.33Å; K76-G80 VanDerWaalsContact O-CA 3.29Å; K76-G80 WeakPolarHBondContact O-CA 3.5Å; K76-G80 PolarHBondContact O-N 3.22Å; D78-G80 PolarHBondContact O-N 3.44Å; G80-R83 PolarHBondContact O-N 2.92Å; G80-L84 WeakPolarHBondContact O-CB 3.34Å; G80-L84 PolarHBondContact O-N 2.9Å
81	I	94.8	Very high	92.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-70.8	-47.1	-166.7	-58	-72.6	0	0	0	112.1	I61 V75 K76 R83 L84 E85 F353 W366 F367 F370	I61-I81 HydrophobicContact CG2-CD1 3.93Å; V75-I81 HydrophobicContact CG2-CD1 3.99Å; V75-I81 HydrophobicContact CG2-CG1 3.89Å; K76-I81 PolarHBondContact O-N 2.95Å; K76-I81 VanDerWaalsContact O-N 3.15Å; I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 PolarHBondContact O-N 3.05Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-E85 HydrophobicContact CG2-CG 4.3Å; I81-E85 WeakPolarHBondContact O-CB 3.37Å; I81-E85 WeakPolarHBondContact O-CG 3.35Å; I81-E85 PolarHBondContact O-N 3.02Å; I81-F353 HydrophobicContact CG2-CE2 4.29Å; I81-F353 HydrophobicContact CG2-CZ 4.49Å; I81-W366 HydrophobicContact CD1-CB 3.86Å; I81-F367 HydrophobicContact CG2-CD2 4.42Å; I81-F370 HydrophobicContact CB-CD2 4.2Å; I81-F370 HydrophobicContact CB-CG 4.25Å; I81-F370 HydrophobicContact CD1-CB 4Å; I81-F370 HydrophobicContact CG1-CB 3.8Å; I81-F370 HydrophobicContact CG1-CD2 4.02Å; I81-F370 HydrophobicContact CG1-CG 3.95Å; I81-F370 HydrophobicContact CG2-CB 4.39Å; I81-F370 HydrophobicContact CG2-CD1 3.97Å; I81-F370 HydrophobicContact CG2-CD2 4.24Å; I81-F370 HydrophobicContact CG2-CE1 4.32Å; I81-F370 HydrophobicContact CG2-CG 3.91Å
82	Q	94.6	Very high	93.1	Very high	6 Å²	6	13 Å²	13	3%	0.028	8%	0.084	C	C	.	.	I	π-helix	trans	-60.8	-38.6	178.1	-62.7	-170.9	27.1	0	0	111.9	P77 D78 A86 F349 F353 V394 V399	P77-Q82 PolarHBondContact O-N 3.5Å; D78-Q82 WeakPolarHBondContact O-CB 3.4Å; D78-Q82 PolarHBondContact OD1-NE2 3.32Å; Q82-A86 VanDerWaalsContact O-CB 3.26Å; Q82-A86 WeakPolarHBondContact O-CB 3.36Å; Q82-A86 PolarHBondContact O-N 3.29Å; Q82-F349 WeakPolarHBondContact O-CZ 3.42Å; Q82-F353 HydrophobicContact CG-CE1 4.07Å; Q82-F353 HydrophobicContact CG-CE2 4.05Å; Q82-F353 HydrophobicContact CG-CZ 3.72Å; Q82-V394 PolarHBondContact NE2-O 3.28Å; Q82-V394 PolarHBondContact OE1-O 3.44Å; Q82-V399 HydrophobicContact CB-CG2 3.98Å
83	R	95.4	Very high	93.5	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-69.6	-40.3	178.7	-64.4	-166.6	-170.9	172.8	-10.2	112.2	F59 K79 G80 I81 A86 M87 E396 V402	F59-R83 HydrophobicContact CD1-CB 3.74Å; F59-R83 HydrophobicContact CE1-CB 3.98Å; F59-R83 WeakPolarHBondContact CE1-O 3.29Å; K79-R83 WeakPolarHBondContact O-CD 3.48Å; K79-R83 WeakPolarHBondContact O-CG 3.25Å; G80-R83 PolarHBondContact O-N 2.92Å; I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 PolarHBondContact O-N 3.05Å; R83-A86 WeakPolarHBondContact O-CB 3.42Å; R83-A86 PolarHBondContact O-N 3.04Å; R83-M87 PolarHBondContact O-N 3.29Å; R83-E396 IonicContact CZ-OE1 3.3Å; R83-E396 IonicContact CZ-OE2 2.68Å; R83-E396 IonicContact NE-OE1 3.48Å; R83-E396 IonicContact NE-OE2 3.14Å; R83-E396 PolarHBondContact NE-OE2 3.1Å; R83-E396 VanDerWaalsContact NH2-CD 3.31Å; R83-E396 IonicContact NH2-OE1 3.88Å; R83-E396 PolarHBondContact NH2-OE1 3.41Å; R83-E396 IonicContact NH2-OE2 3.71Å; R83-E396 PolarHBondContact NH2-OE2 3.4Å; R83-V402 HydrophobicContact CB-CG2 4.01Å; R83-V402 HydrophobicContact CG-CG2 4.21Å
84	L	96.9	Very high	94	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-49.8	173.5	178.5	158.8	0	0	0	110.7	I47 F59 I61 G80 I81 A86 M87 L88 I110 N364 W366	I47-L84 HydrophobicContact CD1-CD1 3.89Å; I47-L84 HydrophobicContact CD1-CD2 3.9Å; I47-L84 HydrophobicContact CD1-CG 4.32Å; F59-L84 HydrophobicContact CD2-CB 4.25Å; F59-L84 HydrophobicContact CG-CB 4.28Å; I61-L84 HydrophobicContact CD1-CD1 3.56Å; I61-L84 HydrophobicContact CG1-CD1 4.22Å; G80-L84 WeakPolarHBondContact O-CB 3.34Å; G80-L84 PolarHBondContact O-N 2.9Å; I81-L84 PolarHBondContact O-N 2.92Å; L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 2.97Å; L84-M87 WeakPolarHBondContact O-CB 3.4Å; L84-M87 PolarHBondContact O-N 3.4Å; L84-M87 VanDerWaalsContact O-N 3.12Å; L84-L88 HydrophobicContact CD2-CD1 3.65Å; L84-L88 HydrophobicContact CD2-CG 4.22Å; L84-L88 PolarHBondContact O-N 3.22Å; L84-L88 VanDerWaalsContact O-N 3.14Å; L84-I110 HydrophobicContact CD1-CG2 4.02Å; L84-I110 HydrophobicContact CG-CD1 4.23Å; L84-I110 HydrophobicContact CG-CG2 4.3Å; L84-N364 HydrophobicContact CD2-CB 4.41Å; L84-W366 HydrophobicContact CD1-CE3 3.76Å; L84-W366 HydrophobicContact CD1-CZ3 3.78Å
85	E	97	Very high	94.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.6	-31.2	178.3	-70.3	-63.4	172.9	0	0	112.1	I81 M87 L88 Y89 F349 Y352 F353 L356 N361 N364	I81-E85 HydrophobicContact CG2-CG 4.3Å; I81-E85 WeakPolarHBondContact O-CB 3.37Å; I81-E85 WeakPolarHBondContact O-CG 3.35Å; I81-E85 PolarHBondContact O-N 3.02Å; E85-M87 VanDerWaalsContact C-N 3.32Å; E85-M87 PolarHBondContact O-N 2.86Å; E85-L88 PolarHBondContact O-N 3.16Å; E85-Y89 WeakPolarHBondContact O-CB 3.36Å; E85-Y89 PolarHBondContact O-N 3.21Å; E85-F349 HydrophobicContact CB-CE2 4.39Å; E85-F349 HydrophobicContact CB-CZ 4.43Å; E85-Y352 HydrophobicContact CB-CE1 4.36Å; E85-Y352 PolarHBondContact OE2-OH 2.88Å; E85-F353 HydrophobicContact CB-CD2 3.98Å; E85-F353 HydrophobicContact CB-CE2 4.13Å; E85-F353 HydrophobicContact CG-CD2 4.19Å; E85-F353 HydrophobicContact CG-CE2 3.98Å; E85-L356 HydrophobicContact CG-CD1 4.16Å; E85-N361 PolarHBondContact OE1-ND2 2.85Å; E85-N364 VanDerWaalsContact OE1-CB 3.26Å; E85-N364 WeakPolarHBondContact OE1-CB 3.02Å; E85-N364 PolarHBondContact OE1-ND2 2.89Å
86	A	97	Very high	94.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-37.6	173.5	0	0	0	0	0	112.4	Q82 R83 L84 A90 F349 V399 V402 I403	Q82-A86 VanDerWaalsContact O-CB 3.26Å; Q82-A86 WeakPolarHBondContact O-CB 3.36Å; Q82-A86 PolarHBondContact O-N 3.29Å; R83-A86 WeakPolarHBondContact O-CB 3.42Å; R83-A86 PolarHBondContact O-N 3.04Å; L84-A86 VanDerWaalsContact C-N 3.26Å; L84-A86 PolarHBondContact O-N 2.97Å; A86-A90 WeakPolarHBondContact O-CB 3.35Å; A86-A90 PolarHBondContact O-N 3.46Å; A86-F349 VanDerWaalsContact CA-CE2 3.41Å; A86-F349 HydrophobicContact CB-CD2 4.37Å; A86-F349 HydrophobicContact CB-CE2 3.82Å; A86-F349 HydrophobicContact CB-CZ 4.07Å; A86-V399 HydrophobicContact CB-CB 4.43Å; A86-V399 HydrophobicContact CB-CG1 3.88Å; A86-V402 HydrophobicContact CB-CB 4.18Å; A86-V402 HydrophobicContact CB-CG1 4.12Å; A86-I403 HydrophobicContact CB-CG1 4.22Å
87	M	97.8	Very high	94.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-45.4	173.7	176.7	172	177.2	0	0	111.4	I55 F59 R83 L84 E85 A90 V91 V108 I110 I161 V402 V406	I55-M87 HydrophobicContact CB-CE 4.22Å; I55-M87 HydrophobicContact CG2-CE 3.82Å; F59-M87 HydrophobicContact CE2-CB 4.19Å; F59-M87 HydrophobicContact CE2-SD 3.52Å; F59-M87 VanDerWaalsContact CE2-SD 3.52Å; F59-M87 HydrophobicContact CZ-CB 3.7Å; F59-M87 HydrophobicContact CZ-CG 4.27Å; F59-M87 HydrophobicContact CZ-SD 3.59Å; F59-M87 VanDerWaalsContact CZ-SD 3.59Å; R83-M87 PolarHBondContact O-N 3.29Å; L84-M87 WeakPolarHBondContact O-CB 3.4Å; L84-M87 PolarHBondContact O-N 3.4Å; L84-M87 VanDerWaalsContact O-N 3.12Å; E85-M87 VanDerWaalsContact C-N 3.32Å; E85-M87 PolarHBondContact O-N 2.86Å; M87-A90 PolarHBondContact O-N 3.01Å; M87-V91 WeakPolarHBondContact O-CG2 3.36Å; M87-V91 PolarHBondContact O-N 3.36Å; M87-V108 HydrophobicContact CE-CB 4.27Å; M87-V108 HydrophobicContact CE-CG1 3.79Å; M87-I110 HydrophobicContact SD-CD1 4.17Å; M87-I110 HydrophobicContact SD-CG1 4.31Å; M87-I161 HydrophobicContact CE-CB 4.48Å; M87-I161 HydrophobicContact CE-CG1 4.34Å; M87-I161 HydrophobicContact SD-CB 4.27Å; M87-V402 HydrophobicContact CB-CG1 3.92Å; M87-V406 HydrophobicContact CB-CG2 4.36Å; M87-V406 HydrophobicContact CG-CG2 3.95Å
88	L	97.7	Very high	95.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-46	178	-64.1	179.9	0	0	0	111.3	I49 L84 E85 A90 V91 D92 V108 I110 R363	I49-L88 HydrophobicContact CD1-CD2 3.87Å; L84-L88 HydrophobicContact CD2-CD1 3.65Å; L84-L88 HydrophobicContact CD2-CG 4.22Å; L84-L88 PolarHBondContact O-N 3.22Å; L84-L88 VanDerWaalsContact O-N 3.14Å; E85-L88 PolarHBondContact O-N 3.16Å; L88-A90 PolarHBondContact O-N 3.29Å; L88-V91 PolarHBondContact O-N 2.85Å; L88-D92 PolarHBondContact O-N 3.19Å; L88-V108 HydrophobicContact CD2-CG2 3.73Å; L88-I110 HydrophobicContact CD2-CD1 3.77Å; L88-I110 HydrophobicContact CG-CD1 4.19Å; L88-R363 HydrophobicContact CD1-CG 4.33Å
89	Y	97.4	Very high	95.6	Very high	17 Å²	17	35.3 Å²	35.3	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-55.8	-49.1	173.7	170.4	-100.6	0	0	0	112.6	E85 V91 D92 K93 D348 F349 Y352 I403	E85-Y89 WeakPolarHBondContact O-CB 3.36Å; E85-Y89 PolarHBondContact O-N 3.21Å; Y89-V91 VanDerWaalsContact C-N 3.34Å; Y89-V91 PolarHBondContact O-N 2.89Å; Y89-D92 PolarHBondContact O-N 3.39Å; Y89-K93 HydrophobicContact CD2-CG 4.42Å; Y89-K93 HydrophobicContact CE1-CG 4.14Å; Y89-K93 HydrophobicContact CE2-CD 4.37Å; Y89-K93 VanDerWaalsContact CE2-CE 3.46Å; Y89-K93 HydrophobicContact CE2-CG 3.98Å; Y89-K93 WeakPolarHBondContact O-CG 3.49Å; Y89-K93 PolarHBondContact O-N 2.95Å; Y89-K93 WeakPolarHBondContact OH-CE 3.49Å; Y89-D348 WeakPolarHBondContact OH-CB 3.48Å; Y89-F349 HydrophobicContact CD1-CB 4.43Å; Y89-F349 AromaticContact CD1-CD2 3.89Å; Y89-F349 HydrophobicContact CD1-CD2 3.89Å; Y89-F349 HydrophobicContact CE1-CB 4.24Å; Y89-F349 AromaticContact CG-CD2 3.89Å; Y89-F349 HydrophobicContact CG-CD2 3.89Å; Y89-Y352 AromaticContact CD2-CD1 3.62Å; Y89-Y352 HydrophobicContact CD2-CD1 3.62Å; Y89-Y352 HydrophobicContact CD2-CD2 4.11Å; Y89-Y352 HydrophobicContact CD2-CE1 4.27Å; Y89-Y352 AromaticContact CD2-CG 3.53Å; Y89-Y352 HydrophobicContact CD2-CG 3.53Å; Y89-Y352 HydrophobicContact CE2-CG 4.16Å; Y89-Y352 AromaticContact CG-CD1 3.99Å; Y89-Y352 HydrophobicContact CG-CD1 3.99Å; Y89-Y352 HydrophobicContact CG-CE1 4.41Å; Y89-Y352 HydrophobicContact CG-CG 4.36Å; Y89-I403 HydrophobicContact CD1-CD1 4.12Å; Y89-I403 HydrophobicContact CD1-CG1 4.47Å; Y89-I403 HydrophobicContact CE1-CD1 4.21Å
90	A	97.4	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-42.1	-179.8	0	0	0	0	0	111.5	A86 M87 L88 K93 I94 I403 V406 Y407	A86-A90 WeakPolarHBondContact O-CB 3.35Å; A86-A90 PolarHBondContact O-N 3.46Å; M87-A90 PolarHBondContact O-N 3.01Å; L88-A90 PolarHBondContact O-N 3.29Å; A90-K93 PolarHBondContact O-N 3.25Å; A90-I94 WeakPolarHBondContact O-CD1 3.36Å; A90-I94 VanDerWaalsContact O-CG1 3.24Å; A90-I94 WeakPolarHBondContact O-CG1 3.37Å; A90-I94 PolarHBondContact O-N 3.34Å; A90-I403 HydrophobicContact CB-CG1 4.38Å; A90-I403 HydrophobicContact CB-CG2 4.3Å; A90-V406 HydrophobicContact CB-CB 3.89Å; A90-V406 HydrophobicContact CB-CG1 3.85Å; A90-V406 HydrophobicContact CB-CG2 4.26Å; A90-Y407 HydrophobicContact CB-CE2 4.31Å
91	V	97.7	Very high	95.8	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-42	176.5	169	0	0	0	0	111.6	M87 L88 Y89 K93 I94 N95 L106 V108 V406	M87-V91 WeakPolarHBondContact O-CG2 3.36Å; M87-V91 PolarHBondContact O-N 3.36Å; L88-V91 PolarHBondContact O-N 2.85Å; Y89-V91 VanDerWaalsContact C-N 3.34Å; Y89-V91 PolarHBondContact O-N 2.89Å; V91-K93 VanDerWaalsContact C-N 3.34Å; V91-K93 PolarHBondContact O-N 2.87Å; V91-I94 PolarHBondContact O-N 3.47Å; V91-N95 WeakPolarHBondContact O-CB 3.43Å; V91-N95 VanDerWaalsContact O-CG 3.26Å; V91-N95 PolarHBondContact O-N 3.06Å; V91-N95 PolarHBondContact O-ND2 3.44Å; V91-L106 HydrophobicContact CG1-CB 4.06Å; V91-V108 HydrophobicContact CB-CG1 4.31Å; V91-V108 HydrophobicContact CG1-CG1 4.15Å; V91-V108 HydrophobicContact CG2-CG1 3.73Å; V91-V406 HydrophobicContact CG2-CG1 3.89Å
92	D	97	Very high	95.5	Very high	46 Å²	46	38.4 Å²	38.4	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-44.9	175.6	-66.1	-29.7	0	0	0	111.2	L88 Y89 I94 N95 M96 R363	L88-D92 PolarHBondContact O-N 3.19Å; Y89-D92 PolarHBondContact O-N 3.39Å; D92-I94 PolarHBondContact O-N 2.91Å; D92-N95 PolarHBondContact O-N 3.42Å; D92-M96 VanDerWaalsContact O-CG 3.27Å; D92-M96 WeakPolarHBondContact O-CG 3.21Å; D92-M96 PolarHBondContact O-N 3.29Å; D92-M96 VanDerWaalsContact O-N 3.09Å; D92-R363 VanDerWaalsContact CG-NH1 3.3Å; D92-R363 IonicContact OD1-NH1 3.49Å; D92-R363 PolarHBondContact OD1-NH1 2.9Å; D92-R363 VanDerWaalsContact OD1-NH1 3.14Å; D92-R363 IonicContact OD2-CZ 2.96Å; D92-R363 IonicContact OD2-NH1 3.22Å; D92-R363 PolarHBondContact OD2-NH1 3.13Å; D92-R363 IonicContact OD2-NH2 2.87Å; D92-R363 PolarHBondContact OD2-NH2 2.87Å
93	K	95.9	Very high	95.1	Very high	88 Å²	88	44.7 Å²	44.7	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-42.6	177.7	-73.3	-65.8	-172.2	176.3	0	112.3	Y89 A90 V91 M96 D97	Y89-K93 HydrophobicContact CD2-CG 4.42Å; Y89-K93 HydrophobicContact CE1-CG 4.14Å; Y89-K93 HydrophobicContact CE2-CD 4.37Å; Y89-K93 VanDerWaalsContact CE2-CE 3.46Å; Y89-K93 HydrophobicContact CE2-CG 3.98Å; Y89-K93 WeakPolarHBondContact O-CG 3.49Å; Y89-K93 PolarHBondContact O-N 2.95Å; Y89-K93 WeakPolarHBondContact OH-CE 3.49Å; A90-K93 PolarHBondContact O-N 3.25Å; V91-K93 VanDerWaalsContact C-N 3.34Å; V91-K93 PolarHBondContact O-N 2.87Å; K93-M96 PolarHBondContact O-N 3.48Å; K93-D97 PolarHBondContact O-N 3.45Å
94	I	96.9	Very high	94.9	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-41.2	177	-66.5	157.8	0	0	0	110.8	A90 V91 D92 M96 D97 L100 L101 L106 V406 Y407 A410	A90-I94 WeakPolarHBondContact O-CD1 3.36Å; A90-I94 VanDerWaalsContact O-CG1 3.24Å; A90-I94 WeakPolarHBondContact O-CG1 3.37Å; A90-I94 PolarHBondContact O-N 3.34Å; V91-I94 PolarHBondContact O-N 3.47Å; D92-I94 PolarHBondContact O-N 2.91Å; I94-M96 PolarHBondContact O-N 3.39Å; I94-D97 WeakPolarHBondContact O-CB 3.48Å; I94-D97 PolarHBondContact O-N 3.34Å; I94-L100 HydrophobicContact CG1-CD2 4.19Å; I94-L100 HydrophobicContact CG2-CD2 4.31Å; I94-L100 HydrophobicContact CG2-CG 4.38Å; I94-L101 HydrophobicContact CG2-CD1 4.2Å; I94-L106 HydrophobicContact CB-CD1 4.31Å; I94-L106 HydrophobicContact CD1-CD1 4.43Å; I94-L106 HydrophobicContact CG2-CD1 3.62Å; I94-L106 HydrophobicContact CG2-CG 4.49Å; I94-V406 HydrophobicContact CD1-CG1 3.65Å; I94-Y407 HydrophobicContact CD1-CD1 4.43Å; I94-Y407 HydrophobicContact CD1-CD2 4.38Å; I94-Y407 HydrophobicContact CD1-CE1 4.45Å; I94-Y407 HydrophobicContact CD1-CE2 4.4Å; I94-Y407 HydrophobicContact CD1-CG 4.4Å; I94-Y407 HydrophobicContact CG1-CD1 4.29Å; I94-Y407 HydrophobicContact CG1-CE1 3.89Å; I94-Y407 HydrophobicContact CG1-CE2 4.34Å; I94-A410 HydrophobicContact CD1-CB 3.75Å; I94-A410 HydrophobicContact CG1-CB 4.33Å; I94-A410 HydrophobicContact CG2-CB 4.1Å
95	N	97.1	Very high	94.8	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-19.1	177	-76	-25.7	0	0	0	113.6	V91 D92 K105 L106	V91-N95 WeakPolarHBondContact O-CB 3.43Å; V91-N95 VanDerWaalsContact O-CG 3.26Å; V91-N95 PolarHBondContact O-N 3.06Å; V91-N95 PolarHBondContact O-ND2 3.44Å; D92-N95 PolarHBondContact O-N 3.42Å; N95-K105 WeakPolarHBondContact OD1-CA 3.43Å; N95-L106 PolarHBondContact ND2-O 2.89Å; N95-L106 PolarHBondContact OD1-N 2.7Å
96	M	95.7	Very high	94.8	Very high	142 Å²	142	50.6 Å²	50.6	70%	0.7	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.6	174.6	-66.5	174.9	-170.8	0	0	113	D92 K93 I94	D92-M96 VanDerWaalsContact O-CG 3.27Å; D92-M96 WeakPolarHBondContact O-CG 3.21Å; D92-M96 PolarHBondContact O-N 3.29Å; D92-M96 VanDerWaalsContact O-N 3.09Å; K93-M96 PolarHBondContact O-N 3.48Å; I94-M96 PolarHBondContact O-N 3.39Å
97	D	94.7	Very high	94.7	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	26%	0.261	S	S	.	.			trans	-88.5	116.5	-176.7	-169.9	-26.8	0	0	0	110.7	K93 I94 Q99 L100	K93-D97 PolarHBondContact O-N 3.45Å; I94-D97 WeakPolarHBondContact O-CB 3.48Å; I94-D97 PolarHBondContact O-N 3.34Å; D97-Q99 PolarHBondContact O-N 2.94Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.44Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.33Å; D97-Q99 PolarHBondContact OD1-N 3.05Å; D97-L100 HydrophobicContact CB-CB 4.23Å; D97-L100 PolarHBondContact OD1-N 3.49Å; D97-L100 VanDerWaalsContact OD1-N 3.17Å
98	D	93	Very high	94.6	Very high	150 Å²	150	50.7 Å²	50.7	80%	0.802	26%	0.261	S	S	*	.	S	Bend	trans	-73.8	-13.6	179.4	-68.4	-38.2	0	0	0	113.5
99	Q	92.8	Very high	94.5	Very high	165 Å²	165	51.5 Å²	51.5	77%	0.771	27%	0.265	S	S	*	.	S	Bend	trans	-96.5	-39.7	179.8	-58.1	-173.6	1.7	0	0	111.9	D97 H414	D97-Q99 PolarHBondContact O-N 2.94Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.44Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.33Å; D97-Q99 PolarHBondContact OD1-N 3.05Å; Q99-H414 PolarHBondContact O-CE1 3.01Å; Q99-H414 VanDerWaalsContact O-CE1 3.25Å
100	L	93.2	Very high	94.4	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-97.5	107.8	-175.8	-174	61	0	0	0	111.3	I94 D97 Y407 A410 H414	I94-L100 HydrophobicContact CG1-CD2 4.19Å; I94-L100 HydrophobicContact CG2-CD2 4.31Å; I94-L100 HydrophobicContact CG2-CG 4.38Å; D97-L100 HydrophobicContact CB-CB 4.23Å; D97-L100 PolarHBondContact OD1-N 3.49Å; D97-L100 VanDerWaalsContact OD1-N 3.17Å; L100-Y407 HydrophobicContact CD2-CD1 3.92Å; L100-Y407 HydrophobicContact CD2-CE1 4.04Å; L100-A410 HydrophobicContact CD2-CB 3.9Å; L100-A410 HydrophobicContact CG-CB 4.29Å; L100-H414 HydrophobicContact CD1-CB 3.75Å
101	L	92.4	Very high	94.3	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	62.3	53.8	-176	-58.1	171.4	0	0	0	113.2	I94 T103 I104 L106 A410 L413 H414 L417	I94-L101 HydrophobicContact CG2-CD1 4.2Å; L101-T103 PolarHBondContact O-N 3.28Å; L101-I104 HydrophobicContact CB-CB 4.36Å; L101-I104 PolarHBondContact O-N 3.47Å; L101-I104 VanDerWaalsContact O-N 3.15Å; L101-L106 HydrophobicContact CD1-CD1 3.84Å; L101-L106 HydrophobicContact CD1-CD2 3.93Å; L101-L106 HydrophobicContact CD1-CG 4.02Å; L101-A410 HydrophobicContact CD1-CB 4.03Å; L101-L413 HydrophobicContact CD1-CD2 3.92Å; L101-L413 HydrophobicContact CD2-CB 4.35Å; L101-L413 HydrophobicContact CD2-CD2 4.06Å; L101-L413 HydrophobicContact CD2-CG 3.91Å; L101-H414 HydrophobicContact CD2-CB 3.75Å; L101-H414 HydrophobicContact CG-CB 4.22Å; L101-H414 PolarHBondContact N-ND1 3.44Å; L101-H414 VanDerWaalsContact N-ND1 3.18Å; L101-L417 HydrophobicContact CD2-CD1 3.71Å
102	P	89	Confident	94.1	Very high	61 Å²	61	51 Å²	51	40%	0.396	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	135.9	-178.9	25.4	-34.3	0	0	0	110.6	I104	P102-I104 PolarHBondContact O-N 2.82Å
103	T	85.9	Confident	93.9	Very high	138 Å²	138	48.9 Å²	48.9	85%	0.847	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	6.2	179.3	73.9	0	0	0	0	116.7	L101	L101-T103 PolarHBondContact O-N 3.28Å
104	I	91.1	Very high	93.6	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.082	23%	0.234	C	C	.	.			trans	-116.2	120.3	-179.1	-59.5	172.9	0	0	0	109	D52 I53 L101 P102 L417 F426	D52-I104 HydrophobicContact CB-CG2 3.98Å; I53-I104 HydrophobicContact CD1-CG2 3.88Å; I53-I104 HydrophobicContact CG1-CG2 4.31Å; L101-I104 HydrophobicContact CB-CB 4.36Å; L101-I104 PolarHBondContact O-N 3.47Å; L101-I104 VanDerWaalsContact O-N 3.15Å; P102-I104 PolarHBondContact O-N 2.82Å; I104-L417 HydrophobicContact CD1-CD1 3.4Å; I104-L417 VanDerWaalsContact CD1-CD1 3.4Å; I104-F426 HydrophobicContact CD1-CB 3.88Å; I104-F426 HydrophobicContact CD1-CD1 4.32Å; I104-F426 HydrophobicContact CD1-CD2 3.55Å; I104-F426 HydrophobicContact CD1-CE2 4.17Å; I104-F426 HydrophobicContact CD1-CG 3.64Å; I104-F426 HydrophobicContact CG1-CB 3.85Å; I104-F426 HydrophobicContact CG1-CD1 4.06Å; I104-F426 HydrophobicContact CG1-CD2 4.19Å; I104-F426 HydrophobicContact CG1-CG 3.76Å; I104-F426 HydrophobicContact CG2-CE1 4.49Å
105	K	94.4	Very high	93.1	Very high	107 Å²	107	45.8 Å²	45.8	47%	0.465	24%	0.239	S	C	.	.			trans	-88.1	124.2	176	-169	-178.2	179.3	-162.4	0	110.8	D50 G51 D52 I53 N95	D50-K105 PolarHBondContact O-NZ 3.49Å; G51-K105 CarbonylContact C-O 3.47Å; G51-K105 WeakPolarHBondContact CA-O 3.3Å; D52-K105 WeakPolarHBondContact CA-O 3.09Å; D52-K105 WeakPolarHBondContact CB-O 3.13Å; D52-K105 PolarHBondContact N-O 2.95Å; D52-K105 PolarHBondContact OD2-N 3.17Å; I53-K105 PolarHBondContact N-O 3.16Å; N95-K105 WeakPolarHBondContact OD1-CA 3.43Å
106	L	96.2	Very high	92.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.9	167.6	-63.4	-179.6	0	0	0	110.4	I53 I55 V91 I94 N95 L101 F409 A410 L413	I53-L106 HydrophobicContact CB-CD2 4.14Å; I53-L106 HydrophobicContact CG2-CD2 4.44Å; I55-L106 HydrophobicContact CD1-CB 4.34Å; I55-L106 HydrophobicContact CD1-CD1 3.94Å; I55-L106 HydrophobicContact CD1-CD2 4.19Å; I55-L106 HydrophobicContact CD1-CG 4.39Å; V91-L106 HydrophobicContact CG1-CB 4.06Å; I94-L106 HydrophobicContact CB-CD1 4.31Å; I94-L106 HydrophobicContact CD1-CD1 4.43Å; I94-L106 HydrophobicContact CG2-CD1 3.62Å; I94-L106 HydrophobicContact CG2-CG 4.49Å; N95-L106 PolarHBondContact ND2-O 2.89Å; N95-L106 PolarHBondContact OD1-N 2.7Å; L101-L106 HydrophobicContact CD1-CD1 3.84Å; L101-L106 HydrophobicContact CD1-CD2 3.93Å; L101-L106 HydrophobicContact CD1-CG 4.02Å; L106-F409 HydrophobicContact CD2-CE1 4.11Å; L106-A410 HydrophobicContact CD1-CB 4.41Å; L106-L413 HydrophobicContact CD2-CD2 4.01Å
107	G	96	Very high	92.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	163.7	170.9	0	0	0	0	0	111	I49 I53 I55	I49-G107 CarbonylContact O-C 3.54Å; I49-G107 WeakPolarHBondContact O-CA 3.39Å; I53-G107 PolarHBondContact O-N 2.62Å; I55-G107 PolarHBondContact N-O 2.8Å
108	V	96.1	Very high	91.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	-178.9	-61.5	0	0	0	0	112.6	K48 I49 M54 I55 M87 L88 V91 I110	K48-V108 WeakPolarHBondContact CA-O 3.45Å; I49-V108 HydrophobicContact CB-CG2 3.79Å; I49-V108 HydrophobicContact CD1-CG2 3.84Å; I49-V108 HydrophobicContact CG1-CG2 3.9Å; I49-V108 PolarHBondContact N-O 3.07Å; I49-V108 PolarHBondContact O-N 2.84Å; M54-V108 WeakPolarHBondContact CE-O 3.36Å; I55-V108 CarbonylContact O-C 3.49Å; I55-V108 VanDerWaalsContact O-CA 3.27Å; I55-V108 WeakPolarHBondContact O-CA 3.28Å; M87-V108 HydrophobicContact CE-CB 4.27Å; M87-V108 HydrophobicContact CE-CG1 3.79Å; L88-V108 HydrophobicContact CD2-CG2 3.73Å; V91-V108 HydrophobicContact CB-CG1 4.31Å; V91-V108 HydrophobicContact CG1-CG1 4.15Å; V91-V108 HydrophobicContact CG2-CG1 3.73Å; V108-I110 HydrophobicContact CB-CG1 4.31Å; V108-I110 HydrophobicContact CG2-CD1 4.36Å; V108-I110 HydrophobicContact CG2-CG1 4.44Å
109	H	95	Very high	91.6	Very high	19 Å²	19	32.6 Å²	32.6	9%	0.088	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	105.4	168.5	-169.2	-178.2	0	0	0	108.7	E46 I47 M54 I55 G56 G57 M111 L127	E46-H109 IonicContact OE1-NE2 2.94Å; E46-H109 IonicContact OE2-CD2 2.72Å; E46-H109 IonicContact OE2-CE1 3.47Å; E46-H109 IonicContact OE2-NE2 3.3Å; E46-H109 PolarHBondContact OE2-NE2 3.31Å; I47-H109 CarbonylContact O-C 3.58Å; I47-H109 VanDerWaalsContact O-CA 3.31Å; I47-H109 WeakPolarHBondContact O-CA 3.23Å; M54-H109 HydrophobicContact CE-CB 4.46Å; I55-H109 PolarHBondContact O-N 3.32Å; G56-H109 CarbonylContact C-O 3.47Å; G56-H109 VanDerWaalsContact CA-O 3.3Å; G56-H109 WeakPolarHBondContact CA-O 3.43Å; G57-H109 PolarHBondContact N-O 3.32Å; H109-M111 VanDerWaalsContact NE2-CE 3.34Å; H109-M111 WeakPolarHBondContact NE2-CE 3.35Å; H109-L127 HydrophobicContact CB-CD1 3.69Å; H109-L127 WeakPolarHBondContact O-CD1 3.4Å
110	I	95.5	Very high	91.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.9	-171.4	-55.8	176.9	0	0	0	110.3	I47 G57 F59 L84 M87 L88 V108	I47-I110 HydrophobicContact CB-CB 4.16Å; I47-I110 PolarHBondContact N-O 2.95Å; I47-I110 VanDerWaalsContact N-O 3.09Å; I47-I110 PolarHBondContact O-N 3.44Å; G57-I110 WeakPolarHBondContact O-CA 3.47Å; F59-I110 HydrophobicContact CD2-CG2 3.56Å; F59-I110 HydrophobicContact CE2-CD1 4.36Å; F59-I110 HydrophobicContact CE2-CG2 3.98Å; L84-I110 HydrophobicContact CD1-CG2 4.02Å; L84-I110 HydrophobicContact CG-CD1 4.23Å; L84-I110 HydrophobicContact CG-CG2 4.3Å; M87-I110 HydrophobicContact SD-CD1 4.17Å; M87-I110 HydrophobicContact SD-CG1 4.31Å; L88-I110 HydrophobicContact CD2-CD1 3.77Å; L88-I110 HydrophobicContact CG-CD1 4.19Å; V108-I110 HydrophobicContact CB-CG1 4.31Å; V108-I110 HydrophobicContact CG2-CD1 4.36Å; V108-I110 HydrophobicContact CG2-CG1 4.44Å
111	M	94.3	Very high	91.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.2	178.1	-60.9	-65.5	-157.1	0	0	111.6	E46 G57 L58 F59 H109 R123 E126	E46-M111 HydrophobicContact CB-CE 4.27Å; E46-M111 HydrophobicContact CB-SD 3.65Å; E46-M111 WeakPolarHBondContact OE2-CE 3.27Å; G57-M111 PolarHBondContact O-N 3.41Å; L58-M111 HydrophobicContact CD2-CB 4.02Å; F59-M111 PolarHBondContact N-O 2.94Å; H109-M111 VanDerWaalsContact NE2-CE 3.34Å; H109-M111 WeakPolarHBondContact NE2-CE 3.35Å; M111-R123 HydrophobicContact CB-CB 3.93Å; M111-R123 HydrophobicContact CG-CB 4.3Å; M111-E126 HydrophobicContact CE-CB 3.66Å
112	D	93.8	Very high	91.2	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.5	170.6	-169.4	8.6	0	0	0	111.6	F59 I61 H62 C114 R123 W366	F59-D112 CarbonylContact O-C 3.41Å; F59-D112 WeakPolarHBondContact O-CA 3.43Å; F59-D112 VanDerWaalsContact O-OD1 3.11Å; I61-D112 HydrophobicContact CB-CB 4.21Å; I61-D112 WeakPolarHBondContact CB-OD1 3.42Å; I61-D112 HydrophobicContact CD1-CB 3.9Å; I61-D112 HydrophobicContact CG1-CB 4.09Å; I61-D112 PolarHBondContact N-OD1 3.47Å; H62-D112 IonicContact CE1-OD2 2.76Å; H62-D112 IonicContact CG-OD2 2.7Å; H62-D112 IonicContact ND1-OD2 2.92Å; H62-D112 PolarHBondContact ND1-OD2 3.48Å; D112-C114 PolarHBondContact OD1-N 3.45Å; D112-C114 PolarHBondContact OD2-SG 3.01Å; D112-R123 WeakPolarHBondContact O-CG 3.35Å; D112-W366 HydrophobicContact CB-CZ2 4.16Å
113	T	92.8	Very high	91.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.162	C	C	.	.			trans	-101	-14.4	174.7	57.4	0	0	0	0	112.9	L58 F59 P60 H115 Q116 A120 A163 V168	L58-T113 HydrophobicContact CB-CG2 3.75Å; L58-T113 HydrophobicContact CD2-CG2 4.07Å; L58-T113 HydrophobicContact CG-CG2 4.41Å; F59-T113 PolarHBondContact O-N 2.91Å; F59-T113 PolarHBondContact O-OG1 2.94Å; P60-T113 VanDerWaalsContact CA-OG1 3.22Å; P60-T113 WeakPolarHBondContact CA-OG1 3.44Å; T113-H115 PolarHBondContact O-N 2.85Å; T113-Q116 PolarHBondContact O-N 3.15Å; T113-A120 HydrophobicContact CG2-CB 3.87Å; T113-A163 HydrophobicContact CG2-CB 4.42Å; T113-V168 HydrophobicContact CG2-CG1 4.31Å
114	C	90	Very high	91.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	26.5	-175.8	-54.2	0	0	0	0	113.9	H62 D64 C72 D112 Q116 H119	H62-C114 CarbonylContact O-C 3.52Å; H62-C114 WeakPolarHBondContact O-CA 3.29Å; D64-C114 WeakPolarHBondContact CA-O 3.31Å; C72-C114 HydrophobicContact CB-CB 3.59Å; C72-C114 WeakPolarHBondContact CB-SG 3.41Å; C72-C114 WeakPolarHBondContact SG-CB 3.36Å; C72-C114 CovalentContact SG-SG 2Å; C72-C114 PolarHBondContact SG-SG 3.4Å; D112-C114 PolarHBondContact OD1-N 3.45Å; D112-C114 PolarHBondContact OD2-SG 3.01Å; C114-Q116 PolarHBondContact O-N 3.5Å; C114-H119 VanDerWaalsContact SG-CD2 3.56Å
115	H	87.1	Confident	91.5	Very high	25 Å²	25	28 Å²	28	12%	0.116	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	22.3	-171.1	-158.4	62.7	0	0	0	114.2	P60 T113 H291	P60-H115 HydrophobicContact CB-CB 4.31Å; T113-H115 PolarHBondContact O-N 2.85Å; H115-H291 AromaticContact CE1-CD2 3.49Å; H115-H291 PolarHBondContact CE1-CD2 2.93Å; H115-H291 VanDerWaalsContact CE1-CD2 3.49Å; H115-H291 AromaticContact CE1-NE2 3.76Å; H115-H291 AromaticContact NE2-CD2 3.28Å; H115-H291 PolarHBondContact NE2-CD2 3.05Å; H115-H291 VanDerWaalsContact NE2-CD2 3.28Å; H115-H291 AromaticContact NE2-CG 3.75Å; H115-H291 AromaticContact NE2-NE2 3.65Å
116	Q	86.7	Confident	91.1	Very high	6 Å²	6	26 Å²	26	3%	0.028	13%	0.131	C	C	.	.			trans	-123.3	122	-172.5	171.8	155.2	32	0	0	110.9	T113 C114 T118 H119 A120 R264	T113-Q116 PolarHBondContact O-N 3.15Å; C114-Q116 PolarHBondContact O-N 3.5Å; Q116-T118 VanDerWaalsContact CG-OG1 3.32Å; Q116-T118 WeakPolarHBondContact CG-OG1 3.39Å; Q116-T118 PolarHBondContact NE2-OG1 2.86Å; Q116-T118 PolarHBondContact O-N 3.49Å; Q116-H119 HydrophobicContact CB-CB 4.08Å; Q116-H119 HydrophobicContact CG-CB 4Å; Q116-H119 PolarHBondContact O-N 2.91Å; Q116-A120 WeakPolarHBondContact O-CB 3.31Å; Q116-A120 PolarHBondContact O-N 3.34Å; Q116-R264 VanDerWaalsContact CA-NH2 3.33Å; Q116-R264 VanDerWaalsContact CG-NH2 3.28Å
117	D	87.1	Confident	90.7	Very high	32 Å²	32	26 Å²	26	17%	0.171	13%	0.131	C	C	.	.	H	α-helix	trans	-55.9	-44.4	178.9	53.4	-13	0	0	0	114.6	L121 V168 M171 R264	D117-L121 WeakPolarHBondContact O-CB 3.13Å; D117-L121 PolarHBondContact O-N 3.27Å; D117-V168 HydrophobicContact CB-CG2 4.48Å; D117-M171 HydrophobicContact CB-CG 4.04Å; D117-R264 IonicContact OD1-CZ 3.77Å; D117-R264 VanDerWaalsContact OD1-CZ 3.3Å; D117-R264 IonicContact OD1-NH1 2.6Å; D117-R264 PolarHBondContact OD1-NH1 3.31Å; D117-R264 IonicContact OD1-NH2 2.67Å; D117-R264 PolarHBondContact OD1-NH2 2.77Å; D117-R264 IonicContact OD2-NH1 3.39Å; D117-R264 PolarHBondContact OD2-NH1 3.1Å
118	T	86.9	Confident	90.3	Very high	73 Å²	73	26 Å²	26	45%	0.448	13%	0.13	S	C	.	.	H	α-helix	trans	-65.9	-45.8	177.4	52.3	0	0	0	0	112.2	Q116 L121 E122	Q116-T118 VanDerWaalsContact CG-OG1 3.32Å; Q116-T118 WeakPolarHBondContact CG-OG1 3.39Å; Q116-T118 PolarHBondContact NE2-OG1 2.86Å; Q116-T118 PolarHBondContact O-N 3.49Å; T118-L121 WeakPolarHBondContact O-CB 3.25Å; T118-L121 PolarHBondContact O-N 3.5Å; T118-E122 PolarHBondContact O-N 3.09Å
119	H	88.1	Confident	89.8	Confident	13 Å²	13	32.7 Å²	32.7	6%	0.06	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-48	177.9	-167.1	82.5	0	0	0	110.9	C114 Q116 L121 E122 R123	C114-H119 VanDerWaalsContact SG-CD2 3.56Å; Q116-H119 HydrophobicContact CB-CB 4.08Å; Q116-H119 HydrophobicContact CG-CB 4Å; Q116-H119 PolarHBondContact O-N 2.91Å; H119-L121 PolarHBondContact O-N 2.93Å; H119-E122 WeakPolarHBondContact O-CB 3.11Å; H119-E122 PolarHBondContact O-N 3.12Å; H119-E122 VanDerWaalsContact O-N 3.15Å; H119-R123 PolarHBondContact CE1-NH2 3.35Å; H119-R123 PolarHBondContact NE2-NE 3.08Å; H119-R123 VanDerWaalsContact NE2-NE 3.11Å; H119-R123 WeakPolarHBondContact O-CG 3.48Å; H119-R123 PolarHBondContact O-N 3.33Å
120	A	91.3	Very high	88.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-30.9	177.7	0	0	0	0	0	113.1	T113 Q116 T124 V168 V172	T113-A120 HydrophobicContact CG2-CB 3.87Å; Q116-A120 WeakPolarHBondContact O-CB 3.31Å; Q116-A120 PolarHBondContact O-N 3.34Å; A120-T124 VanDerWaalsContact O-CB 3.28Å; A120-T124 WeakPolarHBondContact O-CB 3.39Å; A120-T124 PolarHBondContact O-N 3.46Å; A120-T124 PolarHBondContact O-OG1 2.96Å; A120-V168 HydrophobicContact CB-CG1 3.31Å; A120-V168 HydrophobicContact CB-CG2 4.49Å; A120-V172 HydrophobicContact CB-CG2 4.37Å
121	L	89.6	Confident	88	Confident	60 Å²	60	33.7 Å²	33.7	31%	0.314	16%	0.164	S	C	.	.	H	α-helix	trans	-64.8	-47.1	174.2	-173.9	68.8	0	0	0	111.2	D117 T118 H119 T124 L125 V175	D117-L121 WeakPolarHBondContact O-CB 3.13Å; D117-L121 PolarHBondContact O-N 3.27Å; T118-L121 WeakPolarHBondContact O-CB 3.25Å; T118-L121 PolarHBondContact O-N 3.5Å; H119-L121 PolarHBondContact O-N 2.93Å; L121-T124 PolarHBondContact O-N 3.48Å; L121-L125 WeakPolarHBondContact O-CG 3.25Å; L121-L125 PolarHBondContact O-N 3.36Å; L121-V175 HydrophobicContact CD1-CB 4.5Å; L121-V175 HydrophobicContact CD1-CG2 3.31Å
122	E	88	Confident	87	Confident	115 Å²	115	37.3 Å²	37.3	54%	0.537	18%	0.179	S	C	.	.	H	α-helix	trans	-59.1	-47.4	175.4	-68.2	173.5	176.5	0	0	111.1	T118 H119 T124 L125 E126	T118-E122 PolarHBondContact O-N 3.09Å; H119-E122 WeakPolarHBondContact O-CB 3.11Å; H119-E122 PolarHBondContact O-N 3.12Å; H119-E122 VanDerWaalsContact O-N 3.15Å; E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 2.71Å; E122-L125 WeakPolarHBondContact O-CB 3.12Å; E122-L125 PolarHBondContact O-N 3.45Å; E122-L125 VanDerWaalsContact O-N 3.12Å; E122-E126 PolarHBondContact O-N 3.5Å; E122-E126 VanDerWaalsContact O-N 3.14Å
123	R	90.5	Very high	85.9	Confident	37 Å²	37	38.4 Å²	38.4	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-33.5	177.4	-61.4	-59.2	177.7	-153.7	-3.2	113.6	M111 D112 H119 L125 E126 L127	M111-R123 HydrophobicContact CB-CB 3.93Å; M111-R123 HydrophobicContact CG-CB 4.3Å; D112-R123 WeakPolarHBondContact O-CG 3.35Å; H119-R123 PolarHBondContact CE1-NH2 3.35Å; H119-R123 PolarHBondContact NE2-NE 3.08Å; H119-R123 VanDerWaalsContact NE2-NE 3.11Å; H119-R123 WeakPolarHBondContact O-CG 3.48Å; H119-R123 PolarHBondContact O-N 3.33Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-E126 VanDerWaalsContact CD-OE2 3.26Å; R123-E126 WeakPolarHBondContact CD-OE2 3.37Å; R123-E126 IonicContact CZ-OE2 3.41Å; R123-E126 IonicContact NE-OE2 2.91Å; R123-E126 IonicContact NH1-OE1 2.92Å; R123-E126 PolarHBondContact NH1-OE1 3.08Å; R123-E126 IonicContact NH1-OE2 3.6Å; R123-E126 PolarHBondContact NH1-OE2 2.96Å; R123-E126 PolarHBondContact O-N 3.38Å; R123-L127 WeakPolarHBondContact O-CB 3.33Å; R123-L127 PolarHBondContact O-N 3.39Å
124	T	91.7	Very high	84.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-39.7	173.8	-62.2	0	0	0	0	110.9	A120 L121 E122 E126 L127 I128 V172 V175 L176	A120-T124 VanDerWaalsContact O-CB 3.28Å; A120-T124 WeakPolarHBondContact O-CB 3.39Å; A120-T124 PolarHBondContact O-N 3.46Å; A120-T124 PolarHBondContact O-OG1 2.96Å; L121-T124 PolarHBondContact O-N 3.48Å; E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 2.71Å; T124-E126 VanDerWaalsContact C-N 3.32Å; T124-E126 PolarHBondContact O-N 3.43Å; T124-L127 WeakPolarHBondContact O-CB 3.38Å; T124-L127 PolarHBondContact O-N 2.81Å; T124-I128 WeakPolarHBondContact O-CG1 2.88Å; T124-I128 PolarHBondContact O-N 2.92Å; T124-I128 VanDerWaalsContact O-N 3.1Å; T124-V172 HydrophobicContact CG2-CG1 3.98Å; T124-V172 WeakPolarHBondContact OG1-CG2 3.29Å; T124-V175 HydrophobicContact CG2-CB 4.34Å; T124-V175 HydrophobicContact CG2-CG1 4.16Å; T124-L176 HydrophobicContact CG2-CD2 3.94Å; T124-L176 HydrophobicContact CG2-CG 4.23Å
125	L	89.6	Confident	83.4	Confident	84 Å²	84	45.5 Å²	45.5	44%	0.44	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-38.5	175.7	-69.4	169.4	0	0	0	111.9	L121 E122 R123 I128 R129 V175	L121-L125 WeakPolarHBondContact O-CG 3.25Å; L121-L125 PolarHBondContact O-N 3.36Å; E122-L125 WeakPolarHBondContact O-CB 3.12Å; E122-L125 PolarHBondContact O-N 3.45Å; E122-L125 VanDerWaalsContact O-N 3.12Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-I128 HydrophobicContact CD2-CD1 4.27Å; L125-I128 WeakPolarHBondContact O-CG1 3.38Å; L125-R129 PolarHBondContact O-N 2.89Å; L125-R129 VanDerWaalsContact O-N 3.14Å; L125-V175 HydrophobicContact CD2-CG1 4.05Å
126	E	86.7	Confident	82.2	Confident	66 Å²	66	51.5 Å²	51.5	31%	0.308	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-43.7	172.7	-70.2	177.3	161.1	0	0	111.8	M111 E122 R123 T124 I128 R129	M111-E126 HydrophobicContact CE-CB 3.66Å; E122-E126 PolarHBondContact O-N 3.5Å; E122-E126 VanDerWaalsContact O-N 3.14Å; R123-E126 VanDerWaalsContact CD-OE2 3.26Å; R123-E126 WeakPolarHBondContact CD-OE2 3.37Å; R123-E126 IonicContact CZ-OE2 3.41Å; R123-E126 IonicContact NE-OE2 2.91Å; R123-E126 IonicContact NH1-OE1 2.92Å; R123-E126 PolarHBondContact NH1-OE1 3.08Å; R123-E126 IonicContact NH1-OE2 3.6Å; R123-E126 PolarHBondContact NH1-OE2 2.96Å; R123-E126 PolarHBondContact O-N 3.38Å; T124-E126 VanDerWaalsContact C-N 3.32Å; T124-E126 PolarHBondContact O-N 3.43Å; E126-I128 VanDerWaalsContact C-N 3.32Å; E126-I128 PolarHBondContact O-N 3.11Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 2.88Å; E126-R129 VanDerWaalsContact O-N 3.16Å
127	L	88	Confident	80.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-35.8	179.3	-172.7	65.2	0	0	0	113.2	L58 H109 R123 T124 V157 V160	L58-L127 HydrophobicContact CD2-CD2 4.45Å; H109-L127 HydrophobicContact CB-CD1 3.69Å; H109-L127 WeakPolarHBondContact O-CD1 3.4Å; R123-L127 WeakPolarHBondContact O-CB 3.33Å; R123-L127 PolarHBondContact O-N 3.39Å; T124-L127 WeakPolarHBondContact O-CB 3.38Å; T124-L127 PolarHBondContact O-N 2.81Å; L127-V157 HydrophobicContact CD1-CG2 3.85Å; L127-V157 HydrophobicContact CG-CG2 4.11Å; L127-V160 HydrophobicContact CD2-CG1 4.09Å; L127-V160 HydrophobicContact CD2-CG2 3.74Å
128	I	88.1	Confident	79.3	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.9	178.3	63.7	165.4	0	0	0	113.7	T124 L125 E126 S130 T131 F132 V175 L176 F179	T124-I128 WeakPolarHBondContact O-CG1 2.88Å; T124-I128 PolarHBondContact O-N 2.92Å; T124-I128 VanDerWaalsContact O-N 3.1Å; L125-I128 HydrophobicContact CD2-CD1 4.27Å; L125-I128 WeakPolarHBondContact O-CG1 3.38Å; E126-I128 VanDerWaalsContact C-N 3.32Å; E126-I128 PolarHBondContact O-N 3.11Å; I128-S130 PolarHBondContact O-N 3.13Å; I128-T131 VanDerWaalsContact O-CB 3.26Å; I128-T131 WeakPolarHBondContact O-CB 3.36Å; I128-T131 PolarHBondContact O-N 3.2Å; I128-T131 PolarHBondContact O-OG1 3.46Å; I128-F132 HydrophobicContact CD1-CE2 3.76Å; I128-F132 HydrophobicContact CD1-CZ 4.47Å; I128-F132 HydrophobicContact CG1-CE2 4.05Å; I128-F132 WeakPolarHBondContact O-CD2 3.47Å; I128-V175 HydrophobicContact CD1-CG1 3.62Å; I128-L176 HydrophobicContact CG2-CD2 3.76Å; I128-F179 HydrophobicContact CD1-CD1 4.47Å; I128-F179 HydrophobicContact CD1-CD2 3.27Å; I128-F179 HydrophobicContact CD1-CE1 4.36Å; I128-F179 HydrophobicContact CD1-CE2 3.15Å; I128-F179 HydrophobicContact CD1-CG 4Å; I128-F179 HydrophobicContact CD1-CZ 3.78Å
129	R	84.2	Confident	77.6	Confident	143 Å²	143	63.4 Å²	63.4	54%	0.54	30%	0.297	S	S	.	.	H	α-helix	trans	-56.6	-35.4	-176.8	-172.4	175.9	176.5	161.9	-1.4	112.4	L125 E126 T131 F132 A133	L125-R129 PolarHBondContact O-N 2.89Å; L125-R129 VanDerWaalsContact O-N 3.14Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 2.88Å; E126-R129 VanDerWaalsContact O-N 3.16Å; R129-T131 VanDerWaalsContact C-N 3.3Å; R129-T131 PolarHBondContact O-N 3.47Å; R129-F132 PolarHBondContact O-N 3.31Å; R129-A133 PolarHBondContact O-N 3.38Å; R129-A133 VanDerWaalsContact O-N 3.09Å
130	S	76	Confident	75.7	Confident	13 Å²	13	70.8 Å²	70.8	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-34.8	175.2	51	0	0	0	0	113.1	I128 A133 M134 K155	I128-S130 PolarHBondContact O-N 3.13Å; S130-A133 PolarHBondContact O-N 2.63Å; S130-M134 PolarHBondContact O-N 2.97Å; S130-K155 PolarHBondContact OG-O 2.84Å
131	T	77	Confident	73.9	Confident	27 Å²	27	82 Å²	82	17%	0.166	37%	0.367	C	S	.	.	H	α-helix	trans	-64.9	-42.1	178.5	-51.3	0	0	0	0	110.8	I128 R129 E135 P156 F179	I128-T131 VanDerWaalsContact O-CB 3.26Å; I128-T131 WeakPolarHBondContact O-CB 3.36Å; I128-T131 PolarHBondContact O-N 3.2Å; I128-T131 PolarHBondContact O-OG1 3.46Å; R129-T131 VanDerWaalsContact C-N 3.3Å; R129-T131 PolarHBondContact O-N 3.47Å; T131-E135 PolarHBondContact O-N 2.76Å; T131-P156 HydrophobicContact CG2-CB 4.46Å; T131-P156 WeakPolarHBondContact OG1-CB 3.33Å; T131-F179 HydrophobicContact CG2-CD1 4.47Å
132	F	73.9	Confident	72.1	Confident	76 Å²	76	84.7 Å²	84.7	33%	0.333	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-49.2	171.1	-68.4	-85.1	0	0	0	111.7	I128 R129 M134 E135 Y136 F179	I128-F132 HydrophobicContact CD1-CE2 3.76Å; I128-F132 HydrophobicContact CD1-CZ 4.47Å; I128-F132 HydrophobicContact CG1-CE2 4.05Å; I128-F132 WeakPolarHBondContact O-CD2 3.47Å; R129-F132 PolarHBondContact O-N 3.31Å; F132-M134 PolarHBondContact O-N 3.09Å; F132-E135 PolarHBondContact O-N 2.98Å; F132-Y136 WeakPolarHBondContact O-CD2 3.37Å; F132-Y136 PolarHBondContact O-N 3.46Å; F132-F179 HydrophobicContact CD1-CE1 4.01Å; F132-F179 HydrophobicContact CD2-CE1 4.19Å; F132-F179 AromaticContact CE1-CE1 3.42Å; F132-F179 HydrophobicContact CE1-CE1 3.42Å; F132-F179 VanDerWaalsContact CE1-CE1 3.42Å; F132-F179 AromaticContact CE1-CZ 3.59Å; F132-F179 HydrophobicContact CE1-CZ 3.59Å; F132-F179 AromaticContact CE2-CE1 3.63Å; F132-F179 HydrophobicContact CE2-CE1 3.63Å; F132-F179 HydrophobicContact CE2-CE2 4.32Å; F132-F179 AromaticContact CE2-CZ 3.55Å; F132-F179 HydrophobicContact CE2-CZ 3.55Å; F132-F179 HydrophobicContact CG-CE1 4.4Å; F132-F179 HydrophobicContact CZ-CD1 4.47Å; F132-F179 AromaticContact CZ-CE1 3.26Å; F132-F179 HydrophobicContact CZ-CE1 3.26Å; F132-F179 HydrophobicContact CZ-CE2 4.08Å; F132-F179 AromaticContact CZ-CZ 3.02Å; F132-F179 HydrophobicContact CZ-CZ 3.02Å
133	A	70.8	Confident	70	Confident	34 Å²	34	90.4 Å²	90.4	28%	0.281	41%	0.407	S	S	.	.	H	α-helix	trans	-57.8	-37.8	-177.1	0	0	0	0	0	111.9	R129 S130 T137	R129-A133 PolarHBondContact O-N 3.38Å; R129-A133 VanDerWaalsContact O-N 3.09Å; S130-A133 PolarHBondContact O-N 2.63Å; A133-T137 WeakPolarHBondContact O-CB 3.46Å; A133-T137 VanDerWaalsContact O-CG2 3.31Å; A133-T137 WeakPolarHBondContact O-CG2 3.46Å; A133-T137 PolarHBondContact O-N 3.19Å; A133-T137 PolarHBondContact O-OG1 3.21Å
134	M	66.6	Low	68	Low	28 Å²	28	94.1 Å²	94.1	14%	0.138	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-40.9	175.8	-173.5	-180	149.7	0	0	112.5	S130 F132 T137 Q138 I153 P156 K433 H434	S130-M134 PolarHBondContact O-N 2.97Å; F132-M134 PolarHBondContact O-N 3.09Å; M134-T137 WeakPolarHBondContact CA-OG1 3.48Å; M134-T137 PolarHBondContact O-OG1 2.84Å; M134-Q138 WeakPolarHBondContact O-CG 3.29Å; M134-Q138 PolarHBondContact O-N 2.97Å; M134-I153 HydrophobicContact CB-CG2 4.32Å; M134-P156 HydrophobicContact SD-CG 3.67Å; M134-K433 WeakPolarHBondContact CE-O 3.35Å; M134-H434 HydrophobicContact CE-CB 4.28Å
135	E	64.1	Low	65.8	Low	123 Å²	123	104 Å²	104	58%	0.575	47%	0.472	S	S	*	.	H	α-helix	trans	-68.8	-36.2	179.4	-162.1	176.1	-177.3	0	0	112.2	T131 F132	T131-E135 PolarHBondContact O-N 2.76Å; F132-E135 PolarHBondContact O-N 2.98Å
136	Y	61	Low	63.7	Low	151 Å²	151	107.7 Å²	107.7	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-74.5	-43.8	175.2	-81.3	-82.3	0	0	0	112.9	F132 Q138 K139 Y140	F132-Y136 WeakPolarHBondContact O-CD2 3.37Å; F132-Y136 PolarHBondContact O-N 3.46Å; Y136-Q138 VanDerWaalsContact C-N 3.28Å; Y136-Q138 PolarHBondContact O-N 2.82Å; Y136-K139 WeakPolarHBondContact O-CB 3.21Å; Y136-K139 PolarHBondContact O-N 2.92Å; Y136-Y140 HydrophobicContact CD1-CE2 4.35Å; Y136-Y140 WeakPolarHBondContact O-CD2 3.32Å; Y136-Y140 PolarHBondContact O-N 2.96Å; Y136-Y140 VanDerWaalsContact O-N 3.15Å
137	T	56.9	Low	61.6	Low	53 Å²	53	108.2 Å²	108.2	33%	0.325	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-28.2	-178.9	46.8	0	0	0	0	112.9	A133 M134 K139 Y140 I153	A133-T137 WeakPolarHBondContact O-CB 3.46Å; A133-T137 VanDerWaalsContact O-CG2 3.31Å; A133-T137 WeakPolarHBondContact O-CG2 3.46Å; A133-T137 PolarHBondContact O-N 3.19Å; A133-T137 PolarHBondContact O-OG1 3.21Å; M134-T137 WeakPolarHBondContact CA-OG1 3.48Å; M134-T137 PolarHBondContact O-OG1 2.84Å; T137-K139 PolarHBondContact O-N 3.33Å; T137-Y140 PolarHBondContact O-N 3.37Å; T137-I153 HydrophobicContact CG2-CG1 4.44Å
138	Q	56.1	Low	59.3	Low	145 Å²	145	113.6 Å²	113.6	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-26.3	170.1	-75.5	-173.4	-2.5	0	0	113.2	M134 Y136	M134-Q138 WeakPolarHBondContact O-CG 3.29Å; M134-Q138 PolarHBondContact O-N 2.97Å; Y136-Q138 VanDerWaalsContact C-N 3.28Å; Y136-Q138 PolarHBondContact O-N 2.82Å
139	K	51.3	Low	57.2	Low	162 Å²	162	122 Å²	122	70%	0.704	58%	0.575	S	S	*	*	H	α-helix	trans	-85.7	-27.7	176.9	-94.4	176.2	176.9	167.9	0	114	Y136 T137	Y136-K139 WeakPolarHBondContact O-CB 3.21Å; Y136-K139 PolarHBondContact O-N 2.92Å; T137-K139 PolarHBondContact O-N 3.33Å
140	Y	49.1	Very low	55.3	Low	169 Å²	169	122.2 Å²	122.2	66%	0.663	59%	0.587	S	S	*	*			trans	-125.8	88.2	-174.4	-59.3	-81.4	0	0	0	111	Y136 T137	Y136-Y140 HydrophobicContact CD1-CE2 4.35Å; Y136-Y140 WeakPolarHBondContact O-CD2 3.32Å; Y136-Y140 PolarHBondContact O-N 2.96Å; Y136-Y140 VanDerWaalsContact O-N 3.15Å; T137-Y140 PolarHBondContact O-N 3.37Å
141	R	52.6	Low	54.2	Low	235 Å²	235	127.5 Å²	127.5	89%	0.887	62%	0.619	S	S	*	*			trans	-87.2	111.9	160.9	-78.2	-175.2	178.7	179.6	-1.5	108.5	R143	R141-R143 PolarHBondContact O-N 3.48Å; R141-R143 VanDerWaalsContact O-N 3.16Å
142	C	51.6	Low	53.2	Low	116 Å²	116	130.4 Å²	130.4	78%	0.784	65%	0.645	S	S	*	*			trans	-63.2	115.2	168	-69.9	0	0	0	0	108.7	T144	C142-T144 VanDerWaalsContact C-N 3.31Å; C142-T144 PolarHBondContact O-N 3.3Å; C142-T144 VanDerWaalsContact O-N 3.13Å
143	R	45.3	Very low	52.7	Low	236 Å²	236	131 Å²	131	89%	0.891	65%	0.651	S	S	*	*			trans	-77.8	86	165.7	-88.1	-177.6	171.1	162.7	-3	107.7	R141	R141-R143 PolarHBondContact O-N 3.48Å; R141-R143 VanDerWaalsContact O-N 3.16Å
144	T	46.9	Very low	52.6	Low	115 Å²	115	132 Å²	132	71%	0.706	66%	0.655	S	S	*	*			trans	-112.7	113.8	161.1	11.7	0	0	0	0	107.3	C142	C142-T144 VanDerWaalsContact C-N 3.31Å; C142-T144 PolarHBondContact O-N 3.3Å; C142-T144 VanDerWaalsContact O-N 3.13Å
145	Y	45.5	Very low	53.3	Low	206 Å²	206	135.5 Å²	135.5	81%	0.808	67%	0.669	S	S	*	*	S	Bend	trans	-61.1	140.2	163.5	-75.5	-99.7	0	0	0	107
146	D	45.4	Very low	54.4	Low	163 Å²	163	131.3 Å²	131.3	87%	0.872	65%	0.653	S	S	*	*	S	Bend	trans	77.4	64.9	175.6	-50.3	-32.2	0	0	0	117.1
147	S	43.8	Very low	55.9	Low	76 Å²	76	124.5 Å²	124.5	53%	0.531	63%	0.627	S	S	.	*			trans	150.4	119.3	135.1	-167.6	0	0	0	0	109.3	F149	S147-F149 PolarHBondContact O-N 3.45Å
148	P	40.4	Very low	57.6	Low	114 Å²	114	122.5 Å²	122.5	74%	0.74	62%	0.616	S	S	*	*			trans	-78.2	80.5	173.6	33.9	-28.7	0	0	0	107.2	D150	P148-D150 PolarHBondContact O-N 3.19Å
149	F	42.6	Very low	59.5	Low	176 Å²	176	115.6 Å²	115.6	77%	0.772	58%	0.583	S	S	*	*			trans	-68.4	87	150.5	-77.5	-79.4	0	0	0	105.5	S147 V151	S147-F149 PolarHBondContact O-N 3.45Å; F149-V151 PolarHBondContact O-N 2.91Å
150	D	45.8	Very low	61.7	Low	149 Å²	149	107.9 Å²	107.9	80%	0.797	55%	0.55	S	S	*	.			trans	-60.3	84.7	163.9	-94.5	-25	0	0	0	106.2	P148 A152	P148-D150 PolarHBondContact O-N 3.19Å; D150-A152 PolarHBondContact O-N 3.4Å
151	V	51.5	Low	64	Low	124 Å²	124	99.8 Å²	99.8	75%	0.752	52%	0.518	S	S	*	.			trans	-61.9	99	165.8	-178.9	0	0	0	0	104.3	F149 I153	F149-V151 PolarHBondContact O-N 2.91Å; V151-I153 PolarHBondContact O-N 2.87Å
152	A	57	Low	66	Low	88 Å²	88	88.6 Å²	88.6	73%	0.727	48%	0.476	S	S	*	.			trans	-55.9	103.8	-176.5	0	0	0	0	0	108.3	D150 P154	D150-A152 PolarHBondContact O-N 3.4Å; A152-P154 VanDerWaalsContact O-CD 3.31Å; A152-P154 WeakPolarHBondContact O-CD 3.31Å; A152-P154 VanDerWaalsContact O-N 3.16Å
153	I	62.4	Low	68.1	Low	87 Å²	87	83.1 Å²	83.1	45%	0.446	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-62	120.7	-178.4	-59.8	170.3	0	0	0	106.3	M134 T137 V151 K155	M134-I153 HydrophobicContact CB-CG2 4.32Å; T137-I153 HydrophobicContact CG2-CG1 4.44Å; V151-I153 PolarHBondContact O-N 2.87Å; I153-K155 PolarHBondContact O-N 2.68Å
154	P	69.8	Low	70.4	Confident	57 Å²	57	72.2 Å²	72.2	37%	0.37	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-56.8	127	179.8	-24.3	33.8	0	0	0	109.7	A152	A152-P154 VanDerWaalsContact O-CD 3.31Å; A152-P154 WeakPolarHBondContact O-CD 3.31Å; A152-P154 VanDerWaalsContact O-N 3.16Å
155	K	80.9	Confident	72.5	Confident	100 Å²	100	67.1 Å²	67.1	44%	0.435	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-66.9	132.8	179.1	-66.1	-177.3	-177.6	-176.2	0	109.8	G51 D52 M54 S130 I153	G51-K155 WeakPolarHBondContact O-CD 3.46Å; G51-K155 PolarHBondContact O-NZ 3.42Å; D52-K155 PolarHBondContact O-NZ 2.69Å; M54-K155 HydrophobicContact CG-CB 3.73Å; S130-K155 PolarHBondContact OG-O 2.84Å; I153-K155 PolarHBondContact O-N 2.68Å
156	P	87.6	Confident	74.8	Confident	35 Å²	35	57.5 Å²	57.5	23%	0.227	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-67.7	150.1	178	30.5	-36.7	0	0	0	111.4	T131 M134	T131-P156 HydrophobicContact CG2-CB 4.46Å; T131-P156 WeakPolarHBondContact OG1-CB 3.33Å; M134-P156 HydrophobicContact SD-CG 3.67Å
157	V	91.2	Very high	77	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.048	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.4	172.4	171.3	0	0	0	0	109.6	M54 L127 A159 V160	M54-V157 HydrophobicContact CB-CG2 4.44Å; L127-V157 HydrophobicContact CD1-CG2 3.85Å; L127-V157 HydrophobicContact CG-CG2 4.11Å; V157-A159 WeakPolarHBondContact CG1-O 3.39Å; V157-V160 HydrophobicContact CG1-CG2 4.07Å
158	A	93.3	Very high	79.3	Confident	11 Å²	11	47.6 Å²	47.6	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-33.7	-177.6	0	0	0	0	0	113.1	I53 M54 P182 F409 I435	I53-A158 HydrophobicContact CG2-CB 3.82Å; M54-A158 PolarHBondContact O-N 3.11Å; A158-P182 WeakPolarHBondContact O-CD 3.33Å; A158-F409 HydrophobicContact CB-CE2 4.12Å; A158-F409 HydrophobicContact CB-CZ 4.04Å; A158-I435 HydrophobicContact CB-CD1 3.84Å
159	A	95.7	Very high	82	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.8	174.8	0	0	0	0	0	110.2	G56 V157 P182 F409 L440	G56-A159 PolarHBondContact N-O 2.93Å; V157-A159 WeakPolarHBondContact CG1-O 3.39Å; A159-P182 WeakPolarHBondContact CA-O 3.37Å; A159-P182 HydrophobicContact CB-CB 4.36Å; A159-P182 WeakPolarHBondContact CB-O 3.21Å; A159-F409 HydrophobicContact CB-CD2 3.5Å; A159-F409 HydrophobicContact CB-CE2 3.49Å; A159-F409 VanDerWaalsContact CB-CE2 3.49Å; A159-L440 HydrophobicContact CB-CD2 4.42Å
160	V	97.1	Very high	84.4	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.3	178.4	-179	0	0	0	0	110.4	G56 L58 L127 V157 L176 T181 P182 Q183 I184	G56-V160 CarbonylContact O-C 3.52Å; G56-V160 WeakPolarHBondContact O-CA 3.45Å; L58-V160 HydrophobicContact CD1-CG1 3.73Å; L58-V160 HydrophobicContact CG-CG1 3.85Å; L127-V160 HydrophobicContact CD2-CG1 4.09Å; L127-V160 HydrophobicContact CD2-CG2 3.74Å; V157-V160 HydrophobicContact CG1-CG2 4.07Å; V160-L176 HydrophobicContact CB-CD1 3.86Å; V160-L176 HydrophobicContact CG1-CD1 4.37Å; V160-L176 HydrophobicContact CG2-CD1 3.83Å; V160-L176 HydrophobicContact CG2-CD2 3.88Å; V160-T181 HydrophobicContact CG2-CG2 4.15Å; V160-P182 PolarHBondContact N-O 2.68Å; V160-Q183 CarbonylContact O-C 3.54Å; V160-Q183 WeakPolarHBondContact O-CA 3.36Å; V160-I184 PolarHBondContact O-N 3.43Å
161	I	98.1	Very high	86.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.2	170.7	-54	-56.4	0	0	0	108.7	I55 G56 G57 L58 M87 I184 Y186 A405 V406 F409	I55-I161 HydrophobicContact CG2-CG1 3.77Å; G56-I161 PolarHBondContact O-N 3.47Å; G57-I161 WeakPolarHBondContact CA-O 3.29Å; L58-I161 PolarHBondContact N-O 2.92Å; M87-I161 HydrophobicContact CE-CB 4.48Å; M87-I161 HydrophobicContact CE-CG1 4.34Å; M87-I161 HydrophobicContact SD-CB 4.27Å; I161-I184 WeakPolarHBondContact CA-O 3.4Å; I161-I184 HydrophobicContact CD1-CB 3.97Å; I161-I184 HydrophobicContact CD1-CD1 4.18Å; I161-I184 HydrophobicContact CD1-CG1 4.49Å; I161-Y186 HydrophobicContact CG2-CD1 3.91Å; I161-Y186 HydrophobicContact CG2-CE1 4.38Å; I161-A405 HydrophobicContact CD1-CB 4.41Å; I161-A405 HydrophobicContact CG2-CB 4.05Å; I161-V406 HydrophobicContact CG1-CG2 4.32Å; I161-V406 HydrophobicContact CG2-CG2 4.47Å; I161-F409 HydrophobicContact CD1-CB 4.37Å
162	G	95.3	Very high	88.7	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.			trans	114	-166.7	-172.6	0	0	0	0	0	112.6	Q183 I184	G162-Q183 WeakPolarHBondContact O-CG 3.33Å; G162-Q183 PolarHBondContact O-NE2 2.73Å; G162-I184 PolarHBondContact N-O 3.49Å
163	A	94.9	Very high	90.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.			cis	-78.1	179.4	-9.6	0	0	0	0	0	111.5	L58 T113 V168 S169 S185 S188	L58-A163 HydrophobicContact CB-CB 4.13Å; L58-A163 HydrophobicContact CD1-CB 4.46Å; T113-A163 HydrophobicContact CG2-CB 4.42Å; A163-V168 HydrophobicContact CB-CB 4.04Å; A163-V168 HydrophobicContact CB-CG1 3.42Å; A163-V168 VanDerWaalsContact CB-CG1 3.42Å; A163-S169 PolarHBondContact N-OG 2.99Å; A163-S169 PolarHBondContact O-OG 3.28Å; A163-S185 PolarHBondContact O-OG 3.34Å; A163-S188 PolarHBondContact O-OG 2.92Å; A163-S188 VanDerWaalsContact O-OG 3.1Å
164	A	93	Very high	92	Very high	7 Å²	7	19.3 Å²	19.3	6%	0.058	11%	0.105	C	C	.	.	S	Bend	trans	-78.2	-55.3	178.2	0	0	0	0	0	112.9	P60 Y186 S187 S188	P60-A164 HydrophobicContact CG-CB 3.81Å; A164-Y186 HydrophobicContact CB-CE2 3.79Å; A164-S187 CarbonylContact O-C 3.49Å; A164-S187 VanDerWaalsContact O-C 3.22Å; A164-S188 WeakPolarHBondContact O-CA 3.44Å; A164-S188 PolarHBondContact O-N 3.49Å; A164-S188 PolarHBondContact O-OG 3.3Å
165	S	91.8	Very high	93	Very high	8 Å²	8	17.4 Å²	17.4	6%	0.056	9%	0.093	C	C	.	.	S	Bend	trans	-72.6	139.5	-178.8	166.3	0	0	0	0	111.6	Q167 V168 S169 S188	S165-Q167 PolarHBondContact OG-N 2.91Å; S165-Q167 PolarHBondContact OG-OE1 3.09Å; S165-Q167 VanDerWaalsContact OG-OE1 3.06Å; S165-V168 PolarHBondContact O-N 2.89Å; S165-S169 WeakPolarHBondContact O-CB 3.33Å; S165-S169 PolarHBondContact O-N 3.26Å; S165-S169 PolarHBondContact O-OG 3.49Å; S165-S188 VanDerWaalsContact C-OG 3.32Å; S165-S188 PolarHBondContact O-OG 3.29Å; S165-S188 VanDerWaalsContact O-OG 3.12Å
166	S	93.5	Very high	93.6	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.028	7%	0.072	C	C	.	.	H	α-helix	trans	-64.2	-38.9	175.5	-69.6	0	0	0	0	113	V168 S169 A170 T189 S190	S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 2.9Å; S166-S169 PolarHBondContact O-N 3.43Å; S166-A170 WeakPolarHBondContact O-CB 3.17Å; S166-A170 PolarHBondContact O-N 3.39Å; S166-T189 PolarHBondContact OG-N 2.8Å; S166-S190 VanDerWaalsContact CB-CB 3.46Å; S166-S190 WeakPolarHBondContact OG-CB 3.45Å; S166-S190 PolarHBondContact OG-N 3.41Å
167	Q	90.9	Very high	93.9	Very high	30 Å²	30	16.3 Å²	16.3	14%	0.14	8%	0.081	C	C	.	.	H	α-helix	trans	-59.3	-46.9	174.6	-70.4	83.4	-12.5	0	0	110.7	S165 A170 M171 E234	S165-Q167 PolarHBondContact OG-N 2.91Å; S165-Q167 PolarHBondContact OG-OE1 3.09Å; S165-Q167 VanDerWaalsContact OG-OE1 3.06Å; Q167-A170 PolarHBondContact O-N 3.35Å; Q167-M171 PolarHBondContact O-N 2.99Å; Q167-E234 PolarHBondContact NE2-O 3.43Å
168	V	93.7	Very high	93.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-50.5	177.7	177	0	0	0	0	110.5	T113 D117 A120 A163 S165 S166 A170 M171 V172	T113-V168 HydrophobicContact CG2-CG1 4.31Å; D117-V168 HydrophobicContact CB-CG2 4.48Å; A120-V168 HydrophobicContact CB-CG1 3.31Å; A120-V168 HydrophobicContact CB-CG2 4.49Å; A163-V168 HydrophobicContact CB-CB 4.04Å; A163-V168 HydrophobicContact CB-CG1 3.42Å; A163-V168 VanDerWaalsContact CB-CG1 3.42Å; S165-V168 PolarHBondContact O-N 2.89Å; S166-V168 VanDerWaalsContact C-N 3.34Å; S166-V168 PolarHBondContact O-N 2.9Å; V168-A170 VanDerWaalsContact C-N 3.27Å; V168-A170 PolarHBondContact O-N 3.43Å; V168-M171 PolarHBondContact O-N 3.14Å; V168-M171 VanDerWaalsContact O-N 3.11Å; V168-V172 HydrophobicContact CG1-CG2 3.91Å; V168-V172 WeakPolarHBondContact O-CB 3.12Å; V168-V172 VanDerWaalsContact O-CG2 3.24Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 3.24Å
169	S	95.8	Very high	93.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-36.4	179.8	-75.4	0	0	0	0	113	A163 S165 S166 S173 Q183 S188	A163-S169 PolarHBondContact N-OG 2.99Å; A163-S169 PolarHBondContact O-OG 3.28Å; S165-S169 WeakPolarHBondContact O-CB 3.33Å; S165-S169 PolarHBondContact O-N 3.26Å; S165-S169 PolarHBondContact O-OG 3.49Å; S166-S169 PolarHBondContact O-N 3.43Å; S169-S173 WeakPolarHBondContact O-CB 3.45Å; S169-S173 PolarHBondContact O-N 3.39Å; S169-Q183 PolarHBondContact OG-NE2 2.8Å; S169-S188 VanDerWaalsContact CB-OG 3.32Å; S169-S188 WeakPolarHBondContact CB-OG 3.42Å; S169-S188 PolarHBondContact OG-OG 2.87Å
170	A	93.8	Very high	93.6	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-42.7	175.8	0	0	0	0	0	111.9	S166 Q167 V168 N174 L193 F199	S166-A170 WeakPolarHBondContact O-CB 3.17Å; S166-A170 PolarHBondContact O-N 3.39Å; Q167-A170 PolarHBondContact O-N 3.35Å; V168-A170 VanDerWaalsContact C-N 3.27Å; V168-A170 PolarHBondContact O-N 3.43Å; A170-N174 PolarHBondContact O-N 3.23Å; A170-N174 PolarHBondContact O-ND2 3.05Å; A170-L193 HydrophobicContact CB-CD2 4.08Å; A170-F199 HydrophobicContact CB-CE1 4.08Å; A170-F199 HydrophobicContact CB-CZ 4.12Å
171	M	92.9	Very high	93.4	Very high	84 Å²	84	29 Å²	29	41%	0.414	14%	0.14	S	C	.	.	H	α-helix	trans	-68.7	-47.8	177.3	-69	-58.7	174.4	0	0	112	D117 Q167 V168 S173 N174	D117-M171 HydrophobicContact CB-CG 4.04Å; Q167-M171 PolarHBondContact O-N 2.99Å; V168-M171 PolarHBondContact O-N 3.14Å; V168-M171 VanDerWaalsContact O-N 3.11Å; M171-S173 VanDerWaalsContact C-N 3.33Å; M171-S173 PolarHBondContact O-N 3.33Å; M171-N174 PolarHBondContact O-N 3.17Å
172	V	94.7	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-44.6	177.4	170.9	0	0	0	0	110.9	L58 A120 T124 V168 N174 V175 L176	L58-V172 HydrophobicContact CD1-CB 4.43Å; L58-V172 HydrophobicContact CD1-CG1 3.63Å; L58-V172 HydrophobicContact CD1-CG2 3.98Å; A120-V172 HydrophobicContact CB-CG2 4.37Å; T124-V172 HydrophobicContact CG2-CG1 3.98Å; T124-V172 WeakPolarHBondContact OG1-CG2 3.29Å; V168-V172 HydrophobicContact CG1-CG2 3.91Å; V168-V172 WeakPolarHBondContact O-CB 3.12Å; V168-V172 VanDerWaalsContact O-CG2 3.24Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 3.24Å; V172-N174 VanDerWaalsContact C-N 3.25Å; V172-N174 PolarHBondContact O-N 3.42Å; V172-V175 PolarHBondContact O-N 3.11Å; V172-V175 VanDerWaalsContact O-N 3.07Å; V172-L176 HydrophobicContact CG1-CD1 3.58Å; V172-L176 HydrophobicContact CG1-CG 3.96Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.39Å
173	S	94.8	Very high	93.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-30.9	-179.3	-178.3	0	0	0	0	112.9	S169 M171 V175 R177	S169-S173 WeakPolarHBondContact O-CB 3.45Å; S169-S173 PolarHBondContact O-N 3.39Å; M171-S173 VanDerWaalsContact C-N 3.33Å; M171-S173 PolarHBondContact O-N 3.33Å; S173-V175 VanDerWaalsContact C-N 3.31Å; S173-R177 VanDerWaalsContact O-CB 3.23Å; S173-R177 WeakPolarHBondContact O-CB 3.28Å; S173-R177 PolarHBondContact O-N 2.92Å
174	N	92.6	Very high	93.6	Very high	55 Å²	55	29.1 Å²	29.1	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-66.2	-35.9	176.8	-66.8	-38.9	0	0	0	111.4	A170 M171 V172	A170-N174 PolarHBondContact O-N 3.23Å; A170-N174 PolarHBondContact O-ND2 3.05Å; M171-N174 PolarHBondContact O-N 3.17Å; V172-N174 VanDerWaalsContact C-N 3.25Å; V172-N174 PolarHBondContact O-N 3.42Å
175	V	92.4	Very high	93.8	Very high	18 Å²	18	28.8 Å²	28.8	11%	0.109	14%	0.138	C	C	.	.	H	α-helix	trans	-75	-51.6	175.5	176.1	0	0	0	0	110.7	L121 T124 L125 I128 V172 S173 R177 L178 F179	L121-V175 HydrophobicContact CD1-CB 4.5Å; L121-V175 HydrophobicContact CD1-CG2 3.31Å; T124-V175 HydrophobicContact CG2-CB 4.34Å; T124-V175 HydrophobicContact CG2-CG1 4.16Å; L125-V175 HydrophobicContact CD2-CG1 4.05Å; I128-V175 HydrophobicContact CD1-CG1 3.62Å; V172-V175 PolarHBondContact O-N 3.11Å; V172-V175 VanDerWaalsContact O-N 3.07Å; S173-V175 VanDerWaalsContact C-N 3.31Å; V175-R177 PolarHBondContact O-N 2.88Å; V175-L178 WeakPolarHBondContact O-CB 3.43Å; V175-L178 PolarHBondContact O-N 3.27Å; V175-F179 HydrophobicContact CG1-CD2 4.35Å; V175-F179 HydrophobicContact CG1-CE2 4.09Å; V175-F179 VanDerWaalsContact O-CD2 3.28Å; V175-F179 WeakPolarHBondContact O-CD2 3.3Å
176	L	93.8	Very high	94	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-32.5	-177.1	-66.4	-178.8	0	0	0	112.9	T124 I128 V160 V172 L178 F179 K180 T181 Q183	T124-L176 HydrophobicContact CG2-CD2 3.94Å; T124-L176 HydrophobicContact CG2-CG 4.23Å; I128-L176 HydrophobicContact CG2-CD2 3.76Å; V160-L176 HydrophobicContact CB-CD1 3.86Å; V160-L176 HydrophobicContact CG1-CD1 4.37Å; V160-L176 HydrophobicContact CG2-CD1 3.83Å; V160-L176 HydrophobicContact CG2-CD2 3.88Å; V172-L176 HydrophobicContact CG1-CD1 3.58Å; V172-L176 HydrophobicContact CG1-CG 3.96Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.39Å; L176-L178 VanDerWaalsContact C-N 3.26Å; L176-L178 PolarHBondContact O-N 3.25Å; L176-F179 CarbonylContact O-C 3.6Å; L176-F179 PolarHBondContact O-N 2.97Å; L176-F179 VanDerWaalsContact O-N 3.16Å; L176-K180 PolarHBondContact O-N 3.46Å; L176-K180 VanDerWaalsContact O-N 3.12Å; L176-T181 HydrophobicContact CD2-CG2 4.19Å; L176-T181 PolarHBondContact O-N 3.47Å; L176-Q183 HydrophobicContact CD1-CB 3.84Å; L176-Q183 HydrophobicContact CD1-CG 4.08Å
177	R	93.1	Very high	94	Very high	111 Å²	111	28.8 Å²	28.8	42%	0.419	14%	0.138	S	C	.	.	H	α-helix	trans	-57.8	-36.5	173.6	176.2	177.4	176.9	173.2	1.2	112.7	S173 V175 F179 K180 S197 R198 Y201	S173-R177 VanDerWaalsContact O-CB 3.23Å; S173-R177 WeakPolarHBondContact O-CB 3.28Å; S173-R177 PolarHBondContact O-N 2.92Å; V175-R177 PolarHBondContact O-N 2.88Å; R177-F179 VanDerWaalsContact C-N 3.25Å; R177-F179 PolarHBondContact O-N 2.94Å; R177-K180 PolarHBondContact O-N 2.9Å; R177-S197 PolarHBondContact NH1-O 3.43Å; R177-S197 PolarHBondContact NH2-O 3.4Å; R177-R198 PolarHBondContact NH1-O 3.1Å; R177-Y201 HydrophobicContact CB-CD2 4.36Å; R177-Y201 HydrophobicContact CG-CD2 4.07Å; R177-Y201 HydrophobicContact CG-CE2 4.48Å
178	L	90.9	Very high	94.1	Very high	133 Å²	133	27.3 Å²	27.3	70%	0.696	13%	0.131	S	C	*	.	H	α-helix	trans	-65.6	-32.3	179.8	-60.6	173.7	0	0	0	111.7	V175 L176	V175-L178 WeakPolarHBondContact O-CB 3.43Å; V175-L178 PolarHBondContact O-N 3.27Å; L176-L178 VanDerWaalsContact C-N 3.26Å; L176-L178 PolarHBondContact O-N 3.25Å
179	F	89.9	Confident	94.1	Very high	49 Å²	49	27.3 Å²	27.3	22%	0.215	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	11.9	179.2	-57	-79	0	0	0	112.8	I128 T131 F132 V175 L176 R177 T181	I128-F179 HydrophobicContact CD1-CD1 4.47Å; I128-F179 HydrophobicContact CD1-CD2 3.27Å; I128-F179 HydrophobicContact CD1-CE1 4.36Å; I128-F179 HydrophobicContact CD1-CE2 3.15Å; I128-F179 HydrophobicContact CD1-CG 4Å; I128-F179 HydrophobicContact CD1-CZ 3.78Å; T131-F179 HydrophobicContact CG2-CD1 4.47Å; F132-F179 HydrophobicContact CD1-CE1 4.01Å; F132-F179 HydrophobicContact CD2-CE1 4.19Å; F132-F179 AromaticContact CE1-CE1 3.42Å; F132-F179 HydrophobicContact CE1-CE1 3.42Å; F132-F179 VanDerWaalsContact CE1-CE1 3.42Å; F132-F179 AromaticContact CE1-CZ 3.59Å; F132-F179 HydrophobicContact CE1-CZ 3.59Å; F132-F179 AromaticContact CE2-CE1 3.63Å; F132-F179 HydrophobicContact CE2-CE1 3.63Å; F132-F179 HydrophobicContact CE2-CE2 4.32Å; F132-F179 AromaticContact CE2-CZ 3.55Å; F132-F179 HydrophobicContact CE2-CZ 3.55Å; F132-F179 HydrophobicContact CG-CE1 4.4Å; F132-F179 HydrophobicContact CZ-CD1 4.47Å; F132-F179 AromaticContact CZ-CE1 3.26Å; F132-F179 HydrophobicContact CZ-CE1 3.26Å; F132-F179 HydrophobicContact CZ-CE2 4.08Å; F132-F179 AromaticContact CZ-CZ 3.02Å; F132-F179 HydrophobicContact CZ-CZ 3.02Å; V175-F179 HydrophobicContact CG1-CD2 4.35Å; V175-F179 HydrophobicContact CG1-CE2 4.09Å; V175-F179 VanDerWaalsContact O-CD2 3.28Å; V175-F179 WeakPolarHBondContact O-CD2 3.3Å; L176-F179 CarbonylContact O-C 3.6Å; L176-F179 PolarHBondContact O-N 2.97Å; L176-F179 VanDerWaalsContact O-N 3.16Å; R177-F179 VanDerWaalsContact C-N 3.25Å; R177-F179 PolarHBondContact O-N 2.94Å; F179-T181 PolarHBondContact O-N 3.2Å; F179-T181 PolarHBondContact O-OG1 2.92Å
180	K	92.4	Very high	93.9	Very high	97 Å²	97	27.3 Å²	27.3	42%	0.422	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	29.2	-175.5	-58.8	-168.9	170.8	-159.9	0	113.7	L176 R177 P182 Y201 G437 E438	L176-K180 PolarHBondContact O-N 3.46Å; L176-K180 VanDerWaalsContact O-N 3.12Å; R177-K180 PolarHBondContact O-N 2.9Å; K180-P182 WeakPolarHBondContact O-CD 3.23Å; K180-Y201 HydrophobicContact CB-CE1 3.68Å; K180-Y201 WeakPolarHBondContact CD-OH 3.49Å; K180-Y201 HydrophobicContact CG-CE1 4.35Å; K180-Y201 WeakPolarHBondContact CG-OH 3.3Å; K180-Y201 WeakPolarHBondContact O-CD1 3.34Å; K180-Y201 VanDerWaalsContact O-CE1 3.28Å; K180-Y201 WeakPolarHBondContact O-CE1 3.36Å; K180-G437 VanDerWaalsContact O-CA 3.3Å; K180-G437 WeakPolarHBondContact O-CA 3.35Å; K180-E438 IonicContact NZ-OE2 2.8Å; K180-E438 PolarHBondContact NZ-OE2 3.22Å
181	T	94	Very high	93.6	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.043	14%	0.143	C	C	.	.			trans	-88.4	118.9	-175.9	-53.9	0	0	0	0	109.8	V160 L176 F179	V160-T181 HydrophobicContact CG2-CG2 4.15Å; L176-T181 HydrophobicContact CD2-CG2 4.19Å; L176-T181 PolarHBondContact O-N 3.47Å; F179-T181 PolarHBondContact O-N 3.2Å; F179-T181 PolarHBondContact O-OG1 2.92Å
182	P	96.6	Very high	93.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.135	C	C	.	.			trans	-64.2	140.3	177.1	-23.4	36.3	0	0	0	112.1	A158 A159 V160 K180 Y201 G437 L440 L441 I444	A158-P182 WeakPolarHBondContact O-CD 3.33Å; A159-P182 WeakPolarHBondContact CA-O 3.37Å; A159-P182 HydrophobicContact CB-CB 4.36Å; A159-P182 WeakPolarHBondContact CB-O 3.21Å; V160-P182 PolarHBondContact N-O 2.68Å; K180-P182 WeakPolarHBondContact O-CD 3.23Å; P182-Y201 HydrophobicContact CG-CD1 4.48Å; P182-G437 VanDerWaalsContact CG-O 3.23Å; P182-G437 WeakPolarHBondContact CG-O 3.49Å; P182-L440 HydrophobicContact CG-CD2 4.38Å; P182-L441 HydrophobicContact CB-CD1 4.32Å; P182-L441 HydrophobicContact CG-CB 4.23Å; P182-I444 HydrophobicContact CB-CD1 3.7Å; P182-I444 HydrophobicContact CG-CD1 4.25Å
183	Q	97.3	Very high	93.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.3	174.4	-174.5	-174.8	-13.8	0	0	109.6	V160 G162 S169 L176 Y201 F202 S203	V160-Q183 CarbonylContact O-C 3.54Å; V160-Q183 WeakPolarHBondContact O-CA 3.36Å; G162-Q183 WeakPolarHBondContact O-CG 3.33Å; G162-Q183 PolarHBondContact O-NE2 2.73Å; S169-Q183 PolarHBondContact OG-NE2 2.8Å; L176-Q183 HydrophobicContact CD1-CB 3.84Å; L176-Q183 HydrophobicContact CD1-CG 4.08Å; Q183-Y201 PolarHBondContact N-O 3.39Å; Q183-F202 HydrophobicContact CB-CD2 4.34Å; Q183-F202 HydrophobicContact CG-CD2 4.14Å; Q183-F202 HydrophobicContact CG-CE2 4.44Å; Q183-S203 PolarHBondContact O-N 3.2Å
184	I	97.9	Very high	93.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102	174.4	-53.3	172.9	0	0	0	108.3	V160 I161 G162 S203 V205 A405 L408 F409 I444	V160-I184 PolarHBondContact O-N 3.43Å; I161-I184 WeakPolarHBondContact CA-O 3.4Å; I161-I184 HydrophobicContact CD1-CB 3.97Å; I161-I184 HydrophobicContact CD1-CD1 4.18Å; I161-I184 HydrophobicContact CD1-CG1 4.49Å; G162-I184 PolarHBondContact N-O 3.49Å; I184-S203 CarbonylContact C-O 3.58Å; I184-S203 WeakPolarHBondContact CA-O 3.4Å; I184-V205 HydrophobicContact CG2-CG1 4.14Å; I184-A405 HydrophobicContact CG2-CB 3.81Å; I184-L408 HydrophobicContact CD1-CD2 4.31Å; I184-L408 HydrophobicContact CD1-CG 4.39Å; I184-L408 HydrophobicContact CG2-CD2 4.14Å; I184-F409 HydrophobicContact CD1-CB 4.04Å; I184-I444 HydrophobicContact CD1-CD1 3.94Å; I184-I444 HydrophobicContact CD1-CG1 4.2Å; I184-I444 HydrophobicContact CD1-CG2 4.12Å; I184-I444 HydrophobicContact CG1-CD1 4.3Å; I184-I444 HydrophobicContact CG1-CG2 4.2Å
185	S	97.3	Very high	93.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.1	176.1	-178.7	0	0	0	0	111.6	A163 S187 S188 S203 R204 V205	A163-S185 PolarHBondContact O-OG 3.34Å; S185-S187 PolarHBondContact OG-N 3.29Å; S185-S188 WeakPolarHBondContact OG-CB 3.22Å; S185-S188 PolarHBondContact OG-N 3.01Å; S185-S188 PolarHBondContact OG-OG 3.18Å; S185-S188 VanDerWaalsContact OG-OG 3.13Å; S185-S203 PolarHBondContact N-O 3.21Å; S185-R204 WeakPolarHBondContact O-CA 3.2Å; S185-R204 WeakPolarHBondContact O-CB 3.39Å; S185-V205 PolarHBondContact O-N 3.28Å; S185-V205 VanDerWaalsContact O-N 3.1Å
186	Y	95.1	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-96.2	-7.9	173.9	53.8	-99	0	0	0	113	L58 F59 I161 A164 V206 Y398 V402	L58-Y186 PolarHBondContact O-OH 3.45Å; F59-Y186 AromaticContact CD1-CE1 3.91Å; F59-Y186 HydrophobicContact CD1-CE1 3.91Å; F59-Y186 AromaticContact CD1-CZ 3.63Å; F59-Y186 WeakPolarHBondContact CD1-OH 3.31Å; F59-Y186 HydrophobicContact CE1-CD1 4.33Å; F59-Y186 AromaticContact CE1-CE1 3.51Å; F59-Y186 HydrophobicContact CE1-CE1 3.51Å; F59-Y186 AromaticContact CE1-CZ 3.69Å; F59-Y186 HydrophobicContact CZ-CE1 4.24Å; I161-Y186 HydrophobicContact CG2-CD1 3.91Å; I161-Y186 HydrophobicContact CG2-CE1 4.38Å; A164-Y186 HydrophobicContact CB-CE2 3.79Å; Y186-V206 WeakPolarHBondContact O-CG1 3.38Å; Y186-Y398 WeakPolarHBondContact O-CD1 3.24Å; Y186-V402 HydrophobicContact CD1-CG2 3.92Å; Y186-V402 HydrophobicContact CD2-CG2 3.71Å; Y186-V402 HydrophobicContact CE1-CG2 4.38Å; Y186-V402 HydrophobicContact CE2-CG2 4.22Å; Y186-V402 HydrophobicContact CG-CG2 3.57Å
187	S	93.8	Very high	93.3	Very high	11 Å²	11	35 Å²	35	8%	0.077	18%	0.178	C	C	.	.	S	Bend	trans	-151.4	-2.3	-172.3	178.8	0	0	0	0	115.5	A164 S185 T189	A164-S187 CarbonylContact O-C 3.49Å; A164-S187 VanDerWaalsContact O-C 3.22Å; S185-S187 PolarHBondContact OG-N 3.29Å; S187-T189 PolarHBondContact O-N 2.79Å
188	S	93.8	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.			trans	-85.5	108.1	180	-63.7	0	0	0	0	111.9	A163 A164 S165 S169 S185 R204	A163-S188 PolarHBondContact O-OG 2.92Å; A163-S188 VanDerWaalsContact O-OG 3.1Å; A164-S188 WeakPolarHBondContact O-CA 3.44Å; A164-S188 PolarHBondContact O-N 3.49Å; A164-S188 PolarHBondContact O-OG 3.3Å; S165-S188 VanDerWaalsContact C-OG 3.32Å; S165-S188 PolarHBondContact O-OG 3.29Å; S165-S188 VanDerWaalsContact O-OG 3.12Å; S169-S188 VanDerWaalsContact CB-OG 3.32Å; S169-S188 WeakPolarHBondContact CB-OG 3.42Å; S169-S188 PolarHBondContact OG-OG 2.87Å; S185-S188 WeakPolarHBondContact OG-CB 3.22Å; S185-S188 PolarHBondContact OG-N 3.01Å; S185-S188 PolarHBondContact OG-OG 3.18Å; S185-S188 VanDerWaalsContact OG-OG 3.13Å; S188-R204 WeakPolarHBondContact O-CD 3.35Å; S188-R204 PolarHBondContact O-NH1 2.97Å
189	T	92.5	Very high	93.4	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	15%	0.145	C	C	.	.			trans	-104.4	-6.4	-168.9	56.2	0	0	0	0	114.4	S166 S187 V191 R204 V206 P207 P208 D209 Y237	S166-T189 PolarHBondContact OG-N 2.8Å; S187-T189 PolarHBondContact O-N 2.79Å; T189-V191 PolarHBondContact O-N 3.36Å; T189-R204 VanDerWaalsContact CA-NH1 3.3Å; T189-R204 PolarHBondContact O-NH1 2.95Å; T189-V206 HydrophobicContact CG2-CG2 4Å; T189-P207 WeakPolarHBondContact CG2-O 3.46Å; T189-P208 CarbonylContact O-C 3.49Å; T189-P208 VanDerWaalsContact O-CA 3.26Å; T189-P208 WeakPolarHBondContact O-CA 3.46Å; T189-D209 VanDerWaalsContact C-CG 3.47Å; T189-D209 VanDerWaalsContact C-OD2 3.24Å; T189-D209 WeakPolarHBondContact CB-OD1 3.31Å; T189-D209 VanDerWaalsContact O-CG 3.27Å; T189-D209 PolarHBondContact O-N 3.16Å; T189-D209 VanDerWaalsContact OG1-CG 3.28Å; T189-D209 PolarHBondContact OG1-OD1 3.13Å; T189-D209 PolarHBondContact OG1-OD2 3.27Å; T189-Y237 WeakPolarHBondContact OG1-CE2 3.48Å
190	S	92	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-50.4	141	179	-177.5	0	0	0	0	114.6	S166 E192 R204 D209 S236	S166-S190 VanDerWaalsContact CB-CB 3.46Å; S166-S190 WeakPolarHBondContact OG-CB 3.45Å; S166-S190 PolarHBondContact OG-N 3.41Å; S190-E192 VanDerWaalsContact C-N 3.28Å; S190-E192 PolarHBondContact O-N 3.38Å; S190-E192 WeakPolarHBondContact OG-CG 3.47Å; S190-E192 PolarHBondContact OG-N 2.83Å; S190-R204 PolarHBondContact O-NH1 2.7Å; S190-D209 VanDerWaalsContact CA-OD2 3.26Å; S190-D209 WeakPolarHBondContact CA-OD2 3.19Å; S190-D209 PolarHBondContact N-OD2 2.99Å; S190-S236 WeakPolarHBondContact CB-O 3.34Å; S190-S236 PolarHBondContact OG-O 2.93Å
191	V	88.8	Confident	93.8	Very high	47 Å²	47	23.6 Å²	23.6	29%	0.285	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-66.3	-29.3	178.6	-172.7	0	0	0	0	112	T189 L193 S194 D209 T210	T189-V191 PolarHBondContact O-N 3.36Å; V191-L193 PolarHBondContact O-N 2.78Å; V191-S194 WeakPolarHBondContact O-CB 3.09Å; V191-S194 PolarHBondContact O-N 3.06Å; V191-D209 HydrophobicContact CG2-CB 4.01Å; V191-T210 HydrophobicContact CB-CG2 4.2Å; V191-T210 HydrophobicContact CG1-CG2 3.59Å; V191-T210 HydrophobicContact CG2-CG2 3.51Å
192	E	90.1	Very high	93.9	Very high	51 Å²	51	23.3 Å²	23.3	24%	0.238	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-65.2	-30.7	-177	77	179.9	170.5	0	0	112.5	S190 S194 D195 R198 F199 S236	S190-E192 VanDerWaalsContact C-N 3.28Å; S190-E192 PolarHBondContact O-N 3.38Å; S190-E192 WeakPolarHBondContact OG-CG 3.47Å; S190-E192 PolarHBondContact OG-N 2.83Å; E192-S194 PolarHBondContact O-N 3.34Å; E192-D195 WeakPolarHBondContact O-CB 3.26Å; E192-D195 PolarHBondContact O-N 3.09Å; E192-D195 VanDerWaalsContact O-N 3.09Å; E192-R198 IonicContact OE2-NH1 2.83Å; E192-F199 HydrophobicContact CB-CE2 4.41Å; E192-F199 HydrophobicContact CG-CE2 4.08Å; E192-F199 HydrophobicContact CG-CZ 4.4Å; E192-F199 WeakPolarHBondContact O-CD2 3.26Å; E192-F199 VanDerWaalsContact O-CE2 3.26Å; E192-F199 WeakPolarHBondContact O-CE2 3.3Å; E192-S236 WeakPolarHBondContact OE1-CB 3.37Å; E192-S236 PolarHBondContact OE1-OG 3.41Å
193	L	93.2	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-70.2	-11.8	-178.5	-63.8	170	0	0	0	113.3	A170 V191 D195 K196 F199 F202	A170-L193 HydrophobicContact CB-CD2 4.08Å; V191-L193 PolarHBondContact O-N 2.78Å; L193-D195 VanDerWaalsContact C-N 3.31Å; L193-K196 PolarHBondContact O-NZ 3.21Å; L193-F199 HydrophobicContact CD2-CD1 3.98Å; L193-F199 HydrophobicContact CD2-CD2 4.23Å; L193-F199 HydrophobicContact CD2-CE1 3.96Å; L193-F199 HydrophobicContact CD2-CE2 4.19Å; L193-F199 HydrophobicContact CD2-CG 4.1Å; L193-F199 HydrophobicContact CD2-CZ 4.04Å; L193-F202 HydrophobicContact CB-CD1 3.83Å; L193-F202 HydrophobicContact CB-CE1 3.61Å; L193-F202 HydrophobicContact CB-CZ 4.16Å; L193-F202 HydrophobicContact CD1-CE1 4.05Å; L193-F202 HydrophobicContact CD1-CE2 4.23Å; L193-F202 HydrophobicContact CD1-CZ 3.73Å; L193-F202 HydrophobicContact CD2-CE2 4.5Å; L193-F202 HydrophobicContact CG-CE1 4.3Å; L193-F202 HydrophobicContact CG-CZ 4.37Å
194	S	92.3	Very high	93.9	Very high	16 Å²	16	23.2 Å²	23.2	11%	0.112	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-77.7	-14.4	172.5	-62.4	0	0	0	0	112.8	V191 E192 K196 R204 D464	V191-S194 WeakPolarHBondContact O-CB 3.09Å; V191-S194 PolarHBondContact O-N 3.06Å; E192-S194 PolarHBondContact O-N 3.34Å; S194-K196 PolarHBondContact O-N 3.47Å; S194-R204 PolarHBondContact OG-NH2 3.41Å; S194-D464 WeakPolarHBondContact CB-OD2 3.02Å; S194-D464 PolarHBondContact OG-OD2 2.96Å
195	D	93.5	Very high	93.7	Very high	77 Å²	77	23.2 Å²	23.2	41%	0.412	13%	0.125	S	C	.	.			trans	-76.9	100.6	176.8	-178.7	4.1	0	0	0	111.3	E192 L193 S197 R198 F199	E192-D195 WeakPolarHBondContact O-CB 3.26Å; E192-D195 PolarHBondContact O-N 3.09Å; E192-D195 VanDerWaalsContact O-N 3.09Å; L193-D195 VanDerWaalsContact C-N 3.31Å; D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 PolarHBondContact O-N 3.44Å; D195-S197 VanDerWaalsContact OD1-CB 3.29Å; D195-S197 WeakPolarHBondContact OD1-CB 3.42Å; D195-S197 PolarHBondContact OD1-N 2.83Å; D195-S197 PolarHBondContact OD1-OG 3.37Å; D195-S197 PolarHBondContact OD2-OG 3.31Å; D195-S197 VanDerWaalsContact OD2-OG 3.09Å; D195-R198 PolarHBondContact O-N 3.48Å; D195-F199 PolarHBondContact O-N 3.5Å
196	K	93	Very high	93.5	Very high	47 Å²	47	23.3 Å²	23.3	20%	0.204	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.8	-178.3	-55.9	-46.9	178.2	-166.3	0	114.7	L193 S194 R198 F199 G200 F202 K462	L193-K196 PolarHBondContact O-NZ 3.21Å; S194-K196 PolarHBondContact O-N 3.47Å; K196-R198 VanDerWaalsContact C-N 3.28Å; K196-F199 WeakPolarHBondContact CD-O 3.41Å; K196-G200 VanDerWaalsContact O-CA 3.27Å; K196-G200 WeakPolarHBondContact O-CA 3.45Å; K196-G200 PolarHBondContact O-N 2.74Å; K196-F202 PolarHBondContact NZ-O 3.06Å; K196-K462 WeakPolarHBondContact CE-O 3.38Å; K196-K462 PolarHBondContact NZ-O 3.08Å
197	S	91.9	Very high	93.4	Very high	86 Å²	86	23.5 Å²	23.5	60%	0.601	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.3	169.2	76.1	0	0	0	0	111.2	R177 D195	R177-S197 PolarHBondContact NH1-O 3.43Å; R177-S197 PolarHBondContact NH2-O 3.4Å; D195-S197 VanDerWaalsContact C-N 3.26Å; D195-S197 PolarHBondContact O-N 3.44Å; D195-S197 VanDerWaalsContact OD1-CB 3.29Å; D195-S197 WeakPolarHBondContact OD1-CB 3.42Å; D195-S197 PolarHBondContact OD1-N 2.83Å; D195-S197 PolarHBondContact OD1-OG 3.37Å; D195-S197 PolarHBondContact OD2-OG 3.31Å; D195-S197 VanDerWaalsContact OD2-OG 3.09Å
198	R	92.1	Very high	93.2	Very high	108 Å²	108	23.2 Å²	23.2	41%	0.408	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-49.9	178.2	-171.5	174.2	171.6	-155.6	-3.5	112.2	R177 E192 D195 K196 G200	R177-R198 PolarHBondContact NH1-O 3.1Å; E192-R198 IonicContact OE2-NH1 2.83Å; D195-R198 PolarHBondContact O-N 3.48Å; K196-R198 VanDerWaalsContact C-N 3.28Å; R198-G200 PolarHBondContact O-N 2.91Å
199	F	94.5	Very high	92.9	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	12%	0.124	C	C	.	.			trans	-105.5	53.1	-174.6	-54.8	-72	0	0	0	111.5	A170 E192 L193 D195 K196 Y201 F202	A170-F199 HydrophobicContact CB-CE1 4.08Å; A170-F199 HydrophobicContact CB-CZ 4.12Å; E192-F199 HydrophobicContact CB-CE2 4.41Å; E192-F199 HydrophobicContact CG-CE2 4.08Å; E192-F199 HydrophobicContact CG-CZ 4.4Å; E192-F199 WeakPolarHBondContact O-CD2 3.26Å; E192-F199 VanDerWaalsContact O-CE2 3.26Å; E192-F199 WeakPolarHBondContact O-CE2 3.3Å; L193-F199 HydrophobicContact CD2-CD1 3.98Å; L193-F199 HydrophobicContact CD2-CD2 4.23Å; L193-F199 HydrophobicContact CD2-CE1 3.96Å; L193-F199 HydrophobicContact CD2-CE2 4.19Å; L193-F199 HydrophobicContact CD2-CG 4.1Å; L193-F199 HydrophobicContact CD2-CZ 4.04Å; D195-F199 PolarHBondContact O-N 3.5Å; K196-F199 WeakPolarHBondContact CD-O 3.41Å; F199-Y201 VanDerWaalsContact C-N 3.27Å; F199-Y201 PolarHBondContact O-N 3.45Å; F199-F202 HydrophobicContact CB-CB 3.89Å; F199-F202 PolarHBondContact O-N 3.25Å; F199-F202 VanDerWaalsContact O-N 3.15Å
200	G	94.2	Very high	92.7	Very high	15 Å²	15	25.7 Å²	25.7	16%	0.155	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.1	-172.3	0	0	0	0	0	114.7	K196 R198 L441 R445	K196-G200 VanDerWaalsContact O-CA 3.27Å; K196-G200 WeakPolarHBondContact O-CA 3.45Å; K196-G200 PolarHBondContact O-N 2.74Å; R198-G200 PolarHBondContact O-N 2.91Å; G200-L441 WeakPolarHBondContact O-CD2 3.42Å; G200-R445 PolarHBondContact O-NH2 2.98Å
201	Y	95.9	Very high	92.6	Very high	26 Å²	26	29.8 Å²	29.8	10%	0.102	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.5	-178.2	-72.9	-96.4	0	0	0	114.1	R177 K180 P182 Q183 F199 E438 L441	R177-Y201 HydrophobicContact CB-CD2 4.36Å; R177-Y201 HydrophobicContact CG-CD2 4.07Å; R177-Y201 HydrophobicContact CG-CE2 4.48Å; K180-Y201 HydrophobicContact CB-CE1 3.68Å; K180-Y201 WeakPolarHBondContact CD-OH 3.49Å; K180-Y201 HydrophobicContact CG-CE1 4.35Å; K180-Y201 WeakPolarHBondContact CG-OH 3.3Å; K180-Y201 WeakPolarHBondContact O-CD1 3.34Å; K180-Y201 VanDerWaalsContact O-CE1 3.28Å; K180-Y201 WeakPolarHBondContact O-CE1 3.36Å; P182-Y201 HydrophobicContact CG-CD1 4.48Å; Q183-Y201 PolarHBondContact N-O 3.39Å; F199-Y201 VanDerWaalsContact C-N 3.27Å; F199-Y201 PolarHBondContact O-N 3.45Å; Y201-E438 HydrophobicContact CE1-CB 4.38Å; Y201-L441 HydrophobicContact CD1-CD2 3.97Å; Y201-L441 HydrophobicContact CE1-CD2 4.31Å; Y201-L441 HydrophobicContact CG-CD2 4.32Å
202	F	97.1	Very high	92.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.4	179.1	-176.4	-91	0	0	0	111.4	Q183 L193 K196 F199 R204 R445	Q183-F202 HydrophobicContact CB-CD2 4.34Å; Q183-F202 HydrophobicContact CG-CD2 4.14Å; Q183-F202 HydrophobicContact CG-CE2 4.44Å; L193-F202 HydrophobicContact CB-CD1 3.83Å; L193-F202 HydrophobicContact CB-CE1 3.61Å; L193-F202 HydrophobicContact CB-CZ 4.16Å; L193-F202 HydrophobicContact CD1-CE1 4.05Å; L193-F202 HydrophobicContact CD1-CE2 4.23Å; L193-F202 HydrophobicContact CD1-CZ 3.73Å; L193-F202 HydrophobicContact CD2-CE2 4.5Å; L193-F202 HydrophobicContact CG-CE1 4.3Å; L193-F202 HydrophobicContact CG-CZ 4.37Å; K196-F202 PolarHBondContact NZ-O 3.06Å; F199-F202 HydrophobicContact CB-CB 3.89Å; F199-F202 PolarHBondContact O-N 3.25Å; F199-F202 VanDerWaalsContact O-N 3.15Å; F202-R204 HydrophobicContact CE1-CB 4.08Å; F202-R204 HydrophobicContact CE1-CG 4.09Å; F202-R204 HydrophobicContact CZ-CB 4.2Å; F202-R445 PolarHBondContact O-NH2 2.85Å; F202-R445 VanDerWaalsContact O-NH2 3.14Å
203	S	97.3	Very high	92.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.9	169.8	-54.4	0	0	0	0	109.5	Q183 I184 S185 G463	Q183-S203 PolarHBondContact O-N 3.2Å; I184-S203 CarbonylContact C-O 3.58Å; I184-S203 WeakPolarHBondContact CA-O 3.4Å; S185-S203 PolarHBondContact N-O 3.21Å; S203-G463 WeakPolarHBondContact CA-O 3.44Å
204	R	95.7	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147.4	179.3	57.3	176.3	173.6	-154.3	-11.1	113.2	S185 S188 T189 S190 S194 F202 V206 L459 G463 D464	S185-R204 WeakPolarHBondContact O-CA 3.2Å; S185-R204 WeakPolarHBondContact O-CB 3.39Å; S188-R204 WeakPolarHBondContact O-CD 3.35Å; S188-R204 PolarHBondContact O-NH1 2.97Å; T189-R204 VanDerWaalsContact CA-NH1 3.3Å; T189-R204 PolarHBondContact O-NH1 2.95Å; S190-R204 PolarHBondContact O-NH1 2.7Å; S194-R204 PolarHBondContact OG-NH2 3.41Å; F202-R204 HydrophobicContact CE1-CB 4.08Å; F202-R204 HydrophobicContact CE1-CG 4.09Å; F202-R204 HydrophobicContact CZ-CB 4.2Å; R204-V206 VanDerWaalsContact C-N 3.27Å; R204-V206 HydrophobicContact CB-CG2 4.27Å; R204-V206 WeakPolarHBondContact CD-O 3.35Å; R204-V206 VanDerWaalsContact CG-O 3.3Å; R204-V206 WeakPolarHBondContact CG-O 3.4Å; R204-V206 PolarHBondContact NE-O 3.04Å; R204-V206 PolarHBondContact O-N 3.46Å; R204-L459 WeakPolarHBondContact O-CD2 3.44Å; R204-G463 PolarHBondContact N-O 3.42Å; R204-D464 IonicContact CZ-OD1 3.22Å; R204-D464 IonicContact NE-OD1 3.57Å; R204-D464 PolarHBondContact NE-OD1 3.04Å; R204-D464 VanDerWaalsContact NH2-CG 3.34Å; R204-D464 IonicContact NH2-OD1 3.3Å; R204-D464 PolarHBondContact NH2-OD1 3.27Å; R204-D464 IonicContact NH2-OD2 3.54Å; R204-D464 PolarHBondContact NH2-OD2 3.38Å
205	V	94.6	Very high	92.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-93.1	16.7	177.1	-62.9	0	0	0	0	113	I184 S185 S401 A405 L408 I457 R465	I184-V205 HydrophobicContact CG2-CG1 4.14Å; S185-V205 PolarHBondContact O-N 3.28Å; S185-V205 VanDerWaalsContact O-N 3.1Å; V205-S401 VanDerWaalsContact CG2-O 3.28Å; V205-S401 WeakPolarHBondContact CG2-O 3.43Å; V205-A405 HydrophobicContact CG1-CB 4.32Å; V205-A405 HydrophobicContact CG2-CB 3.91Å; V205-L408 HydrophobicContact CG1-CD2 3.68Å; V205-I457 HydrophobicContact CG1-CG2 4.43Å; V205-R465 WeakPolarHBondContact O-CD 3.25Å; V205-R465 PolarHBondContact O-NH1 3.49Å
206	V	92.5	Very high	92.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.12	C	C	.	.	S	Bend	trans	-128.7	150.5	176.7	-65.8	0	0	0	0	110.2	Y186 T189 R204 Y398	Y186-V206 WeakPolarHBondContact O-CG1 3.38Å; T189-V206 HydrophobicContact CG2-CG2 4Å; R204-V206 VanDerWaalsContact C-N 3.27Å; R204-V206 HydrophobicContact CB-CG2 4.27Å; R204-V206 WeakPolarHBondContact CD-O 3.35Å; R204-V206 VanDerWaalsContact CG-O 3.3Å; R204-V206 WeakPolarHBondContact CG-O 3.4Å; R204-V206 PolarHBondContact NE-O 3.04Å; R204-V206 PolarHBondContact O-N 3.46Å; V206-Y398 HydrophobicContact CG1-CD1 4.12Å; V206-Y398 HydrophobicContact CG1-CE1 3.93Å
207	P	91.7	Very high	92.8	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.032	11%	0.11	C	C	.	.			trans	-72.9	156.3	-178.5	28.3	-35.3	0	0	0	113.7	T189 F211 A467 Y469	T189-P207 WeakPolarHBondContact CG2-O 3.46Å; P207-F211 HydrophobicContact CB-CD2 4.46Å; P207-A467 HydrophobicContact CB-CB 3.61Å; P207-A467 HydrophobicContact CG-CB 4.18Å; P207-Y469 HydrophobicContact CG-CE1 4.38Å; P207-Y469 HydrophobicContact CG-CE2 4.27Å; P207-Y469 WeakPolarHBondContact CG-OH 3.46Å
208	P	91.3	Very high	92.8	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.032	9%	0.091	C	C	.	.			trans	-65.7	156.2	170.6	6.7	-11.7	0	0	0	114.4	T189 T210 F211 D464	T189-P208 CarbonylContact O-C 3.49Å; T189-P208 VanDerWaalsContact O-CA 3.26Å; T189-P208 WeakPolarHBondContact O-CA 3.46Å; P208-T210 PolarHBondContact O-N 2.93Å; P208-T210 VanDerWaalsContact O-N 3.12Å; P208-F211 HydrophobicContact CG-CD2 3.79Å; P208-F211 HydrophobicContact CG-CE2 3.88Å; P208-F211 PolarHBondContact O-N 3.39Å; P208-F211 VanDerWaalsContact O-N 3.11Å; P208-D464 HydrophobicContact CG-CB 4.42Å
209	D	87.6	Confident	92.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.1	-18	175	-70.4	-27.1	0	0	0	113.1	T189 S190 V191 F211 Q212 A213 Y237 A241	T189-D209 VanDerWaalsContact C-CG 3.47Å; T189-D209 VanDerWaalsContact C-OD2 3.24Å; T189-D209 WeakPolarHBondContact CB-OD1 3.31Å; T189-D209 VanDerWaalsContact O-CG 3.27Å; T189-D209 PolarHBondContact O-N 3.16Å; T189-D209 VanDerWaalsContact OG1-CG 3.28Å; T189-D209 PolarHBondContact OG1-OD1 3.13Å; T189-D209 PolarHBondContact OG1-OD2 3.27Å; S190-D209 VanDerWaalsContact CA-OD2 3.26Å; S190-D209 WeakPolarHBondContact CA-OD2 3.19Å; S190-D209 PolarHBondContact N-OD2 2.99Å; V191-D209 HydrophobicContact CG2-CB 4.01Å; D209-F211 PolarHBondContact O-N 3.04Å; D209-Q212 HydrophobicContact CB-CB 4.48Å; D209-Q212 WeakPolarHBondContact O-CB 3.22Å; D209-Q212 PolarHBondContact O-N 2.68Å; D209-Q212 VanDerWaalsContact O-N 3.13Å; D209-Q212 PolarHBondContact OD1-OE1 3.16Å; D209-A213 VanDerWaalsContact O-CB 3.3Å; D209-A213 WeakPolarHBondContact O-CB 3.22Å; D209-A213 PolarHBondContact O-N 3.29Å; D209-Y237 WeakPolarHBondContact OD2-CD2 3.31Å; D209-A241 HydrophobicContact CB-CB 4.1Å
210	T	87.4	Confident	92.6	Very high	53 Å²	53	13.5 Å²	13.5	33%	0.325	7%	0.071	S	C	.	.	H	α-helix	trans	-58.3	-40.7	172.8	50	0	0	0	0	111.7	V191 P208 Q214	V191-T210 HydrophobicContact CB-CG2 4.2Å; V191-T210 HydrophobicContact CG1-CG2 3.59Å; V191-T210 HydrophobicContact CG2-CG2 3.51Å; P208-T210 PolarHBondContact O-N 2.93Å; P208-T210 VanDerWaalsContact O-N 3.12Å; T210-Q214 PolarHBondContact O-N 3.46Å
211	F	90.2	Very high	92.3	Very high	87 Å²	87	18.6 Å²	18.6	38%	0.382	9%	0.089	S	C	.	.	H	α-helix	trans	-76.6	-32.3	175.8	-62.8	-71.1	0	0	0	111.6	P207 P208 D209 Q214 A215 A467 Y469 W487	P207-F211 HydrophobicContact CB-CD2 4.46Å; P208-F211 HydrophobicContact CG-CD2 3.79Å; P208-F211 HydrophobicContact CG-CE2 3.88Å; P208-F211 PolarHBondContact O-N 3.39Å; P208-F211 VanDerWaalsContact O-N 3.11Å; D209-F211 PolarHBondContact O-N 3.04Å; F211-Q214 PolarHBondContact O-N 3.13Å; F211-A215 WeakPolarHBondContact O-CB 3.28Å; F211-A215 PolarHBondContact O-N 3.12Å; F211-A467 HydrophobicContact CB-CB 3.36Å; F211-A467 HydrophobicContact CD1-CB 3.94Å; F211-A467 HydrophobicContact CD2-CB 3.67Å; F211-A467 HydrophobicContact CE2-CB 4.4Å; F211-A467 HydrophobicContact CG-CB 3.39Å; F211-Y469 HydrophobicContact CB-CE2 4.01Å; F211-W487 HydrophobicContact CB-CH2 4.3Å; F211-W487 HydrophobicContact CB-CZ3 4.34Å; F211-W487 HydrophobicContact CD1-CH2 4.25Å
212	Q	91.3	Very high	91.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-51.1	173.9	-168.2	-179	68.3	0	0	111.1	D209 Q214 A215 M216 D317 I339 Y469	D209-Q212 HydrophobicContact CB-CB 4.48Å; D209-Q212 WeakPolarHBondContact O-CB 3.22Å; D209-Q212 PolarHBondContact O-N 2.68Å; D209-Q212 VanDerWaalsContact O-N 3.13Å; D209-Q212 PolarHBondContact OD1-OE1 3.16Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 3.03Å; Q212-A215 PolarHBondContact O-N 3.3Å; Q212-A215 VanDerWaalsContact O-N 3.16Å; Q212-M216 HydrophobicContact CG-SD 4.16Å; Q212-M216 WeakPolarHBondContact O-CG 3.29Å; Q212-M216 PolarHBondContact O-N 3.44Å; Q212-D317 VanDerWaalsContact NE2-CB 3.33Å; Q212-D317 VanDerWaalsContact NE2-N 3.15Å; Q212-D317 PolarHBondContact NE2-OD1 3.47Å; Q212-D317 PolarHBondContact NE2-OD2 3.21Å; Q212-I339 HydrophobicContact CB-CD1 4.46Å; Q212-I339 HydrophobicContact CG-CD1 3.39Å; Q212-I339 HydrophobicContact CG-CG1 4.31Å; Q212-Y469 HydrophobicContact CB-CE1 4.41Å; Q212-Y469 WeakPolarHBondContact CB-OH 3.42Å; Q212-Y469 HydrophobicContact CG-CE1 4.36Å; Q212-Y469 PolarHBondContact N-OH 3.42Å
213	A	93	Very high	91.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-39.1	176.8	0	0	0	0	0	111.9	D209 A217 A244 F245 I248	D209-A213 VanDerWaalsContact O-CB 3.3Å; D209-A213 WeakPolarHBondContact O-CB 3.22Å; D209-A213 PolarHBondContact O-N 3.29Å; A213-A217 WeakPolarHBondContact O-CB 3.41Å; A213-A217 PolarHBondContact O-N 3.44Å; A213-A244 HydrophobicContact CB-CB 3.8Å; A213-F245 HydrophobicContact CB-CB 4.01Å; A213-I248 HydrophobicContact CB-CD1 4.15Å
214	Q	92	Very high	90.6	Very high	56 Å²	56	23.7 Å²	23.7	26%	0.262	12%	0.121	S	C	.	.	H	α-helix	trans	-63.9	-48.9	173.5	-174.5	63.3	55.9	0	0	111.9	T210 F211 Q212 M216 A217 D218 I248 W487	T210-Q214 PolarHBondContact O-N 3.46Å; F211-Q214 PolarHBondContact O-N 3.13Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 3.03Å; Q214-M216 VanDerWaalsContact C-N 3.33Å; Q214-M216 PolarHBondContact O-N 2.86Å; Q214-A217 PolarHBondContact O-N 2.91Å; Q214-D218 PolarHBondContact NE2-OD1 3.37Å; Q214-D218 PolarHBondContact NE2-OD2 3.21Å; Q214-D218 PolarHBondContact O-N 3.29Å; Q214-I248 HydrophobicContact CB-CD1 3.96Å; Q214-I248 VanDerWaalsContact OE1-CG2 3.26Å; Q214-W487 HydrophobicContact CB-CZ2 4.17Å; Q214-W487 HydrophobicContact CG-CH2 4.44Å; Q214-W487 HydrophobicContact CG-CZ2 3.76Å
215	A	92	Very high	90.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-44	177.8	0	0	0	0	0	111.7	F211 Q212 D218 V219 I339 Y469 W487	F211-A215 WeakPolarHBondContact O-CB 3.28Å; F211-A215 PolarHBondContact O-N 3.12Å; Q212-A215 PolarHBondContact O-N 3.3Å; Q212-A215 VanDerWaalsContact O-N 3.16Å; A215-D218 PolarHBondContact O-N 3.22Å; A215-V219 VanDerWaalsContact O-CG2 3.31Å; A215-V219 WeakPolarHBondContact O-CG2 3.44Å; A215-V219 PolarHBondContact O-N 2.94Å; A215-I339 HydrophobicContact CB-CD1 4.23Å; A215-Y469 HydrophobicContact CB-CD2 4.18Å; A215-W487 HydrophobicContact CB-CB 4.43Å; A215-W487 HydrophobicContact CB-CD2 3.61Å; A215-W487 HydrophobicContact CB-CE3 4.06Å; A215-W487 HydrophobicContact CB-CG 3.79Å; A215-W487 HydrophobicContact CB-CZ2 4.33Å
216	M	93.9	Very high	89.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.2	-66.3	178.2	81	0	0	112.1	Q212 Q214 D218 V219 V220 F245 V287 F289 L314 I339	Q212-M216 HydrophobicContact CG-SD 4.16Å; Q212-M216 WeakPolarHBondContact O-CG 3.29Å; Q212-M216 PolarHBondContact O-N 3.44Å; Q214-M216 VanDerWaalsContact C-N 3.33Å; Q214-M216 PolarHBondContact O-N 2.86Å; M216-D218 VanDerWaalsContact C-N 3.34Å; M216-D218 PolarHBondContact O-N 3.02Å; M216-V219 PolarHBondContact O-N 3.24Å; M216-V220 VanDerWaalsContact O-CG2 3.29Å; M216-V220 WeakPolarHBondContact O-CG2 3.49Å; M216-V220 PolarHBondContact O-N 2.82Å; M216-F245 HydrophobicContact CB-CD2 4.25Å; M216-F245 HydrophobicContact CB-CE2 4.17Å; M216-V287 HydrophobicContact CE-CG1 3.56Å; M216-F289 HydrophobicContact CE-CE1 4.2Å; M216-F289 HydrophobicContact CE-CZ 4.18Å; M216-F289 HydrophobicContact SD-CD1 4.13Å; M216-F289 HydrophobicContact SD-CE1 3.29Å; M216-F289 WeakPolarHBondContact SD-CE1 3.26Å; M216-F289 HydrophobicContact SD-CZ 3.54Å; M216-F289 VanDerWaalsContact SD-CZ 3.54Å; M216-L314 HydrophobicContact CB-CD2 4.09Å; M216-L314 HydrophobicContact CE-CD2 4.24Å; M216-L314 HydrophobicContact CE-CG 3.84Å; M216-I339 HydrophobicContact CG-CD1 3.37Å; M216-I339 HydrophobicContact CG-CG1 4.14Å; M216-I339 HydrophobicContact SD-CD1 4Å
217	A	93.1	Very high	89.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-40.9	176.6	0	0	0	0	0	111.9	A213 Q214 V219 V220 K221 F245 I248 Q252	A213-A217 WeakPolarHBondContact O-CB 3.41Å; A213-A217 PolarHBondContact O-N 3.44Å; Q214-A217 PolarHBondContact O-N 2.91Å; A217-V219 VanDerWaalsContact C-N 3.35Å; A217-V219 PolarHBondContact O-N 3.46Å; A217-V220 PolarHBondContact O-N 3.09Å; A217-K221 WeakPolarHBondContact O-CB 3.44Å; A217-K221 PolarHBondContact O-N 3.32Å; A217-F245 HydrophobicContact CB-CD2 4.16Å; A217-F245 HydrophobicContact CB-CE2 3.92Å; A217-I248 HydrophobicContact CB-CB 4.25Å; A217-I248 HydrophobicContact CB-CG2 3.48Å; A217-I248 VanDerWaalsContact CB-CG2 3.48Å; A217-Q252 PolarHBondContact O-OE1 3.45Å
218	D	91.1	Very high	89.7	Confident	35 Å²	35	28.1 Å²	28.1	19%	0.187	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-39.2	175.9	-65.6	-23.4	0	0	0	111.8	Q214 A215 M216 K221 Q222 Q252 W487 L493	Q214-D218 PolarHBondContact NE2-OD1 3.37Å; Q214-D218 PolarHBondContact NE2-OD2 3.21Å; Q214-D218 PolarHBondContact O-N 3.29Å; A215-D218 PolarHBondContact O-N 3.22Å; M216-D218 VanDerWaalsContact C-N 3.34Å; M216-D218 PolarHBondContact O-N 3.02Å; D218-K221 PolarHBondContact O-N 2.88Å; D218-Q222 WeakPolarHBondContact O-CB 3.45Å; D218-Q222 PolarHBondContact O-N 3.39Å; D218-Q252 PolarHBondContact OD1-NE2 2.92Å; D218-W487 PolarHBondContact OD2-NE1 3.26Å; D218-L493 HydrophobicContact CB-CD1 4.32Å
219	V	90.3	Very high	89.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-47.6	172.5	170.4	0	0	0	0	111	A215 M216 A217 K221 Q222 L223 L314 I337 I471 L493 L496	A215-V219 VanDerWaalsContact O-CG2 3.31Å; A215-V219 WeakPolarHBondContact O-CG2 3.44Å; A215-V219 PolarHBondContact O-N 2.94Å; M216-V219 PolarHBondContact O-N 3.24Å; A217-V219 VanDerWaalsContact C-N 3.35Å; A217-V219 PolarHBondContact O-N 3.46Å; V219-K221 VanDerWaalsContact C-N 3.31Å; V219-K221 PolarHBondContact O-N 3.36Å; V219-Q222 PolarHBondContact O-N 2.92Å; V219-Q222 VanDerWaalsContact O-N 3.17Å; V219-L223 HydrophobicContact CG1-CD1 3.81Å; V219-L223 HydrophobicContact CG1-CG 4.34Å; V219-L223 VanDerWaalsContact O-CG 3.27Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.39Å; V219-L314 HydrophobicContact CB-CD2 4.43Å; V219-L314 HydrophobicContact CG1-CD1 3.91Å; V219-L314 HydrophobicContact CG1-CD2 4.18Å; V219-I337 HydrophobicContact CG1-CG2 4.27Å; V219-I471 HydrophobicContact CG2-CD1 3.69Å; V219-L493 HydrophobicContact CG2-CD1 4.06Å; V219-L493 HydrophobicContact CG2-CD2 4.4Å; V219-L496 HydrophobicContact CG1-CD1 4.09Å; V219-L496 HydrophobicContact CG2-CD1 4.44Å
220	V	91.7	Very high	90.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-45.1	177.1	170.5	0	0	0	0	110.9	M216 A217 Q222 L223 G224 W225 V228 F245 I254 V287 L314	M216-V220 VanDerWaalsContact O-CG2 3.29Å; M216-V220 WeakPolarHBondContact O-CG2 3.49Å; M216-V220 PolarHBondContact O-N 2.82Å; A217-V220 PolarHBondContact O-N 3.09Å; V220-Q222 VanDerWaalsContact C-N 3.35Å; V220-Q222 PolarHBondContact O-N 3.22Å; V220-L223 PolarHBondContact O-N 2.9Å; V220-G224 PolarHBondContact O-N 3.27Å; V220-W225 HydrophobicContact CG1-CB 3.76Å; V220-W225 HydrophobicContact CG1-CE3 4.48Å; V220-W225 WeakPolarHBondContact CG1-O 3.45Å; V220-W225 HydrophobicContact CG2-CE3 4.23Å; V220-W225 PolarHBondContact O-N 3.28Å; V220-W225 VanDerWaalsContact O-N 3.1Å; V220-V228 HydrophobicContact CG1-CG1 3.8Å; V220-F245 HydrophobicContact CG2-CE2 4.4Å; V220-F245 HydrophobicContact CG2-CZ 4.24Å; V220-I254 HydrophobicContact CB-CD1 4.09Å; V220-I254 HydrophobicContact CG1-CD1 3.65Å; V220-I254 HydrophobicContact CG1-CG1 4.14Å; V220-I254 HydrophobicContact CG1-CG2 3.84Å; V220-V287 HydrophobicContact CG2-CG2 3.98Å; V220-L314 HydrophobicContact CG2-CD2 3.47Å; V220-L314 VanDerWaalsContact CG2-CD2 3.47Å
221	K	88.6	Confident	90.8	Very high	122 Å²	122	25.4 Å²	25.4	53%	0.53	13%	0.125	S	C	.	.	H	α-helix	trans	-61.2	-43.4	176.8	-172.1	179.3	-177.6	-179.4	0	111.7	A217 D218 V219 G224 Q252 I254	A217-K221 WeakPolarHBondContact O-CB 3.44Å; A217-K221 PolarHBondContact O-N 3.32Å; D218-K221 PolarHBondContact O-N 2.88Å; V219-K221 VanDerWaalsContact C-N 3.31Å; V219-K221 PolarHBondContact O-N 3.36Å; K221-G224 PolarHBondContact O-N 2.92Å; K221-G224 VanDerWaalsContact O-N 3.11Å; K221-Q252 HydrophobicContact CD-CB 4.35Å; K221-Q252 HydrophobicContact CD-CG 4.39Å; K221-I254 HydrophobicContact CB-CD1 4.23Å
222	Q	84.6	Confident	91.1	Very high	90 Å²	90	21.2 Å²	21.2	42%	0.421	11%	0.107	S	C	.	.	H	α-helix	trans	-69.3	-34.2	-179.8	-170.8	174.8	33.8	0	0	112.9	D218 V219 V220 G224 L493	D218-Q222 WeakPolarHBondContact O-CB 3.45Å; D218-Q222 PolarHBondContact O-N 3.39Å; V219-Q222 PolarHBondContact O-N 2.92Å; V219-Q222 VanDerWaalsContact O-N 3.17Å; V220-Q222 VanDerWaalsContact C-N 3.35Å; V220-Q222 PolarHBondContact O-N 3.22Å; Q222-G224 PolarHBondContact O-N 3.15Å; Q222-L493 HydrophobicContact CB-CD1 4.45Å; Q222-L493 PolarHBondContact NE2-O 2.98Å
223	L	85.3	Confident	91.1	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.084	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.5	172.5	-66.7	170.1	0	0	0	112.8	V219 V220 W225 I337 L496	V219-L223 HydrophobicContact CG1-CD1 3.81Å; V219-L223 HydrophobicContact CG1-CG 4.34Å; V219-L223 VanDerWaalsContact O-CG 3.27Å; V219-L223 WeakPolarHBondContact O-CG 3.26Å; V219-L223 PolarHBondContact O-N 3.39Å; V220-L223 PolarHBondContact O-N 2.9Å; L223-W225 VanDerWaalsContact C-N 3.27Å; L223-W225 HydrophobicContact CB-CD2 4.06Å; L223-W225 HydrophobicContact CB-CG 4.02Å; L223-W225 HydrophobicContact CD1-CD2 4.13Å; L223-W225 HydrophobicContact CD1-CE3 4.18Å; L223-W225 HydrophobicContact CD1-CH2 3.82Å; L223-W225 HydrophobicContact CD1-CZ2 3.76Å; L223-W225 HydrophobicContact CD1-CZ3 4.04Å; L223-W225 PolarHBondContact O-N 3.14Å; L223-I337 HydrophobicContact CD1-CD1 3.64Å; L223-I337 HydrophobicContact CD2-CD1 3.95Å; L223-I337 HydrophobicContact CG-CD1 4.41Å; L223-L496 HydrophobicContact CD2-CB 4.4Å; L223-L496 HydrophobicContact CD2-CD2 4.35Å
224	G	84.7	Confident	91.1	Very high	28 Å²	28	25.2 Å²	25.2	29%	0.289	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	21.1	-177.3	0	0	0	0	0	113.2	V220 K221 Q222 N226	V220-G224 PolarHBondContact O-N 3.27Å; K221-G224 PolarHBondContact O-N 2.92Å; K221-G224 VanDerWaalsContact O-N 3.11Å; Q222-G224 PolarHBondContact O-N 3.15Å; G224-N226 PolarHBondContact O-N 3.46Å
225	W	88.5	Confident	90.8	Very high	9 Å²	9	23.9 Å²	23.9	3%	0.034	13%	0.127	C	C	.	.			trans	-83.3	110.8	179.6	-68.5	0.7	0	0	0	110.4	V220 L223 V228 A312 L314	V220-W225 HydrophobicContact CG1-CB 3.76Å; V220-W225 HydrophobicContact CG1-CE3 4.48Å; V220-W225 WeakPolarHBondContact CG1-O 3.45Å; V220-W225 HydrophobicContact CG2-CE3 4.23Å; V220-W225 PolarHBondContact O-N 3.28Å; V220-W225 VanDerWaalsContact O-N 3.1Å; L223-W225 VanDerWaalsContact C-N 3.27Å; L223-W225 HydrophobicContact CB-CD2 4.06Å; L223-W225 HydrophobicContact CB-CG 4.02Å; L223-W225 HydrophobicContact CD1-CD2 4.13Å; L223-W225 HydrophobicContact CD1-CE3 4.18Å; L223-W225 HydrophobicContact CD1-CH2 3.82Å; L223-W225 HydrophobicContact CD1-CZ2 3.76Å; L223-W225 HydrophobicContact CD1-CZ3 4.04Å; L223-W225 PolarHBondContact O-N 3.14Å; W225-V228 HydrophobicContact CB-CG1 3.94Å; W225-V228 HydrophobicContact CE3-CG1 4.04Å; W225-A312 HydrophobicContact CH2-CB 3.71Å; W225-A312 HydrophobicContact CZ2-CB 3.51Å; W225-L314 HydrophobicContact CZ3-CB 4.19Å
226	N	85.3	Confident	90.6	Very high	47 Å²	47	25.1 Å²	25.1	25%	0.251	14%	0.135	S	C	.	.			trans	-100.1	-9.7	179.7	-58.8	-27.2	0	0	0	113.5	G224 C255	G224-N226 PolarHBondContact O-N 3.46Å; N226-C255 PolarHBondContact O-N 2.83Å
227	F	88.5	Confident	90.5	Very high	43 Å²	43	25.2 Å²	25.2	19%	0.189	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	106	-176.9	-158.9	-112.9	0	0	0	109.7	C255 R282	F227-C255 WeakPolarHBondContact CA-O 3.25Å; F227-C255 HydrophobicContact CD2-CB 3.67Å; F227-C255 HydrophobicContact CE2-CB 4.08Å; F227-R282 HydrophobicContact CE1-CB 4.46Å
228	V	94	Very high	90.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.9	-172.4	-61.9	0	0	0	0	111.5	V220 W225 F245 I254 C255 I256 S257 G285 V287	V220-V228 HydrophobicContact CG1-CG1 3.8Å; W225-V228 HydrophobicContact CB-CG1 3.94Å; W225-V228 HydrophobicContact CE3-CG1 4.04Å; V228-F245 HydrophobicContact CG2-CE1 4.36Å; V228-F245 HydrophobicContact CG2-CZ 4.5Å; V228-I254 HydrophobicContact CG2-CG2 3.9Å; V228-C255 PolarHBondContact N-O 3.45Å; V228-I256 CarbonylContact O-C 3.53Å; V228-I256 VanDerWaalsContact O-CA 3.28Å; V228-I256 WeakPolarHBondContact O-CA 3.32Å; V228-S257 PolarHBondContact O-N 3.47Å; V228-S257 PolarHBondContact O-OG 3.28Å; V228-G285 CarbonylContact C-O 3.52Å; V228-G285 WeakPolarHBondContact CA-O 3.32Å; V228-V287 HydrophobicContact CB-CG2 4.24Å; V228-V287 HydrophobicContact CG2-CG2 4.22Å
229	A	95.9	Very high	90.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	151.1	163.9	0	0	0	0	0	109.7	I258 L278 G285 V286 V287	A229-I258 HydrophobicContact CB-CG2 3.72Å; A229-L278 HydrophobicContact CB-CD2 3.64Å; A229-G285 PolarHBondContact N-O 2.91Å; A229-V286 HydrophobicContact CB-CG1 4.35Å; A229-V286 HydrophobicContact CB-CG2 4.32Å; A229-V286 WeakPolarHBondContact O-CA 3.47Å; A229-V287 PolarHBondContact O-N 3.35Å
230	V	96.8	Very high	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130	174.1	-171	0	0	0	0	110.6	Y242 F245 I256 I258 Y259 E260 V287 F289	V230-Y242 HydrophobicContact CB-CD2 4.07Å; V230-Y242 HydrophobicContact CB-CE2 4.27Å; V230-Y242 HydrophobicContact CG1-CD2 3.72Å; V230-Y242 HydrophobicContact CG1-CE2 4.42Å; V230-Y242 HydrophobicContact CG2-CD2 4.44Å; V230-Y242 HydrophobicContact CG2-CE2 4.48Å; V230-F245 HydrophobicContact CG2-CD1 4.15Å; V230-F245 HydrophobicContact CG2-CE1 3.91Å; V230-I256 HydrophobicContact CB-CG2 4.49Å; V230-I256 HydrophobicContact CG2-CD1 4.03Å; V230-I256 HydrophobicContact CG2-CG1 4.19Å; V230-I256 HydrophobicContact CG2-CG2 3.93Å; V230-I258 PolarHBondContact N-O 3.49Å; V230-Y259 HydrophobicContact CB-CD2 4.39Å; V230-Y259 HydrophobicContact CG1-CD2 4.5Å; V230-Y259 WeakPolarHBondContact O-CA 3.43Å; V230-E260 PolarHBondContact O-N 3.04Å; V230-V287 CarbonylContact C-O 3.6Å; V230-V287 VanDerWaalsContact CA-O 3.3Å; V230-V287 WeakPolarHBondContact CA-O 3.38Å; V230-V287 HydrophobicContact CG1-CB 4.42Å; V230-V287 HydrophobicContact CG2-CB 4.22Å; V230-F289 HydrophobicContact CG1-CD2 4.07Å; V230-F289 HydrophobicContact CG1-CE2 4.24Å
231	L	96.6	Very high	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.4	169.9	-55.4	-176.5	0	0	0	108.9	E260 L274 L278 V286 V287 T288 F289 L298 W313	L231-E260 WeakPolarHBondContact CA-O 3.47Å; L231-E260 HydrophobicContact CD2-CB 3.61Å; L231-E260 HydrophobicContact CD2-CG 4.43Å; L231-L274 HydrophobicContact CD1-CD2 4.1Å; L231-L274 HydrophobicContact CD2-CD1 4.36Å; L231-L274 HydrophobicContact CD2-CD2 3.92Å; L231-L274 HydrophobicContact CD2-CG 4.41Å; L231-L278 HydrophobicContact CD1-CD1 4.14Å; L231-L278 HydrophobicContact CD2-CD1 4.16Å; L231-L278 HydrophobicContact CD2-CD2 4.11Å; L231-L278 HydrophobicContact CD2-CG 4.49Å; L231-V286 HydrophobicContact CD1-CG1 4Å; L231-V286 HydrophobicContact CG-CG1 3.88Å; L231-V287 PolarHBondContact N-O 2.88Å; L231-T288 HydrophobicContact CB-CG2 4.28Å; L231-T288 HydrophobicContact CD1-CG2 4.16Å; L231-T288 HydrophobicContact CG-CG2 4.46Å; L231-T288 CarbonylContact O-C 3.33Å; L231-T288 WeakPolarHBondContact O-CA 3.48Å; L231-F289 PolarHBondContact O-N 2.92Å; L231-L298 HydrophobicContact CD1-CD1 4.1Å; L231-L298 HydrophobicContact CD1-CD2 3.55Å; L231-L298 HydrophobicContact CD1-CG 4.49Å; L231-W313 HydrophobicContact CD1-CZ3 4.05Å
232	A	95.5	Very high	90.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.2	173	0	0	0	0	0	111.5	Y259 E260 K261 V262 F289	A232-Y259 HydrophobicContact CB-CE2 3.76Å; A232-E260 PolarHBondContact N-O 3.47Å; A232-E260 VanDerWaalsContact N-O 3.11Å; A232-K261 WeakPolarHBondContact O-CA 3.45Å; A232-V262 PolarHBondContact O-N 3.15Å; A232-F289 HydrophobicContact CB-CB 4.15Å
233	D	92.7	Very high	91.2	Very high	4 Å²	4	23 Å²	23	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	144.4	172.2	-76.1	-9.8	0	0	0	111.6	G238 V262 F289 C290 H291 N294	D233-G238 WeakPolarHBondContact O-CA 3.21Å; D233-V262 WeakPolarHBondContact OD1-CB 3.41Å; D233-F289 PolarHBondContact N-O 3.29Å; D233-C290 WeakPolarHBondContact OD1-CB 3.43Å; D233-C290 PolarHBondContact OD1-SG 2.96Å; D233-C290 WeakPolarHBondContact OD2-CA 3.49Å; D233-H291 WeakPolarHBondContact OD2-CB 3.43Å; D233-H291 IonicContact OD2-CE1 3.62Å; D233-H291 IonicContact OD2-CG 2.64Å; D233-H291 PolarHBondContact OD2-N 3.34Å; D233-H291 IonicContact OD2-ND1 3.63Å; D233-H291 PolarHBondContact OD2-ND1 3.38Å; D233-N294 PolarHBondContact OD1-ND2 3.23Å; D233-N294 PolarHBondContact OD2-ND2 2.92Å
234	E	91.1	Very high	91.5	Very high	80 Å²	80	23.1 Å²	23.1	37%	0.374	13%	0.132	S	C	.	.	S	Bend	trans	-62.8	138	173.9	-177.1	161.1	-138.5	0	0	112.5	Q167 K261 V262 R263	Q167-E234 PolarHBondContact NE2-O 3.43Å; E234-K261 HydrophobicContact CB-CD 3.8Å; E234-K261 HydrophobicContact CB-CG 3.98Å; E234-K261 HydrophobicContact CG-CD 3.97Å; E234-K261 WeakPolarHBondContact OE1-CE 3.43Å; E234-K261 IonicContact OE1-NZ 3.49Å; E234-K261 PolarHBondContact OE1-NZ 2.99Å; E234-V262 PolarHBondContact N-O 3.43Å; E234-R263 WeakPolarHBondContact OE2-CB 3.45Å; E234-R263 WeakPolarHBondContact OE2-CG 3.41Å
235	G	87.2	Confident	92	Very high	28 Å²	28	21.8 Å²	21.8	29%	0.289	12%	0.118	S	C	.	.	S	Bend	trans	106.3	-162.1	174.9	0	0	0	0	0	114.1	Y237 P240	G235-Y237 VanDerWaalsContact C-N 3.25Å; G235-Y237 PolarHBondContact O-N 2.99Å; G235-Y237 VanDerWaalsContact O-N 3.1Å; G235-P240 WeakPolarHBondContact O-CD 3.48Å
236	S	88.3	Confident	92.3	Very high	25 Å²	25	26.5 Å²	26.5	18%	0.175	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.2	-168.2	-64.8	0	0	0	0	117	S190 E192 P240	S190-S236 WeakPolarHBondContact CB-O 3.34Å; S190-S236 PolarHBondContact OG-O 2.93Å; E192-S236 WeakPolarHBondContact OE1-CB 3.37Å; E192-S236 PolarHBondContact OE1-OG 3.41Å; S236-P240 WeakPolarHBondContact O-CD 3.1Å; S236-P240 WeakPolarHBondContact O-CG 3.38Å
237	Y	90.1	Very high	92.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-66.3	-179.4	172.7	-115.4	0	0	0	112.2	T189 D209 G235 P240 A241 H291 S316 D317 N318	T189-Y237 WeakPolarHBondContact OG1-CE2 3.48Å; D209-Y237 WeakPolarHBondContact OD2-CD2 3.31Å; G235-Y237 VanDerWaalsContact C-N 3.25Å; G235-Y237 PolarHBondContact O-N 2.99Å; G235-Y237 VanDerWaalsContact O-N 3.1Å; Y237-P240 WeakPolarHBondContact O-CD 3.44Å; Y237-A241 WeakPolarHBondContact O-CB 3.47Å; Y237-A241 PolarHBondContact O-N 3.38Å; Y237-H291 AromaticContact CD1-CE1 3.87Å; Y237-S316 VanDerWaalsContact OH-CB 3.27Å; Y237-S316 WeakPolarHBondContact OH-CB 3.28Å; Y237-S316 PolarHBondContact OH-OG 3.18Å; Y237-D317 PolarHBondContact OH-OD1 3.43Å; Y237-N318 HydrophobicContact CE1-CB 4.1Å
238	G	91.4	Very high	92.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.8	-46.4	-168.9	0	0	0	0	0	113.8	D233 A241 Y242	D233-G238 WeakPolarHBondContact O-CA 3.21Å; G238-A241 PolarHBondContact O-N 3.05Å; G238-Y242 WeakPolarHBondContact O-CB 3.39Å; G238-Y242 PolarHBondContact O-N 3.06Å
239	E	92.4	Very high	92.9	Very high	65 Å²	65	27.8 Å²	27.8	30%	0.304	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-47.5	-176.2	-55.2	-174.6	-179.9	0	0	112.5	A241 Y242 E243 K261	E239-A241 VanDerWaalsContact C-N 3.34Å; E239-A241 PolarHBondContact O-N 3.37Å; E239-Y242 PolarHBondContact O-N 3.34Å; E239-E243 WeakPolarHBondContact O-CG 3.26Å; E239-E243 PolarHBondContact O-N 3.39Å; E239-K261 HydrophobicContact CG-CD 4.24Å; E239-K261 WeakPolarHBondContact OE1-CD 3.26Å; E239-K261 IonicContact OE1-NZ 3.77Å; E239-K261 PolarHBondContact OE1-NZ 3.39Å
240	P	91.2	Very high	92.7	Very high	37 Å²	37	32 Å²	32	24%	0.24	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-35.4	175.9	-25.7	38.8	0	0	0	113.6	G235 S236 Y237 E243 A244	G235-P240 WeakPolarHBondContact O-CD 3.48Å; S236-P240 WeakPolarHBondContact O-CD 3.1Å; S236-P240 WeakPolarHBondContact O-CG 3.38Å; Y237-P240 WeakPolarHBondContact O-CD 3.44Å; P240-E243 PolarHBondContact O-N 2.91Å; P240-A244 PolarHBondContact O-N 3.3Å
241	A	92	Very high	92.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.6	-42	176.1	0	0	0	0	0	111.5	D209 Y237 G238 E239 A244 F245 F289	D209-A241 HydrophobicContact CB-CB 4.1Å; Y237-A241 WeakPolarHBondContact O-CB 3.47Å; Y237-A241 PolarHBondContact O-N 3.38Å; G238-A241 PolarHBondContact O-N 3.05Å; E239-A241 VanDerWaalsContact C-N 3.34Å; E239-A241 PolarHBondContact O-N 3.37Å; A241-A244 PolarHBondContact O-N 3.19Å; A241-F245 WeakPolarHBondContact O-CB 3.41Å; A241-F245 PolarHBondContact O-N 2.85Å; A241-F289 HydrophobicContact CB-CB 4.31Å; A241-F289 HydrophobicContact CB-CD1 3.46Å; A241-F289 VanDerWaalsContact CB-CD1 3.46Å; A241-F289 HydrophobicContact CB-CE1 3.8Å; A241-F289 HydrophobicContact CB-CG 3.86Å; A241-F289 HydrophobicContact CB-CZ 4.46Å
242	Y	94.3	Very high	92.1	Very high	19 Å²	19	43.3 Å²	43.3	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-46.3	171.7	161.9	-107.7	0	0	0	112.1	V230 G238 E239 A244 F245 R246 I256 Y259	V230-Y242 HydrophobicContact CB-CD2 4.07Å; V230-Y242 HydrophobicContact CB-CE2 4.27Å; V230-Y242 HydrophobicContact CG1-CD2 3.72Å; V230-Y242 HydrophobicContact CG1-CE2 4.42Å; V230-Y242 HydrophobicContact CG2-CD2 4.44Å; V230-Y242 HydrophobicContact CG2-CE2 4.48Å; G238-Y242 WeakPolarHBondContact O-CB 3.39Å; G238-Y242 PolarHBondContact O-N 3.06Å; E239-Y242 PolarHBondContact O-N 3.34Å; Y242-A244 VanDerWaalsContact C-N 3.33Å; Y242-A244 PolarHBondContact O-N 3.28Å; Y242-F245 PolarHBondContact O-N 2.93Å; Y242-R246 HydrophobicContact CE2-CB 4.32Å; Y242-R246 WeakPolarHBondContact O-CB 3.49Å; Y242-R246 PolarHBondContact O-N 3.32Å; Y242-I256 HydrophobicContact CE2-CD1 3.81Å; Y242-Y259 HydrophobicContact CD1-CD1 4.2Å; Y242-Y259 AromaticContact CD1-CD2 3.91Å; Y242-Y259 HydrophobicContact CD1-CD2 3.91Å; Y242-Y259 AromaticContact CD1-CE1 3.84Å; Y242-Y259 HydrophobicContact CD1-CE1 3.84Å; Y242-Y259 AromaticContact CD1-CE2 3.52Å; Y242-Y259 HydrophobicContact CD1-CE2 3.52Å; Y242-Y259 HydrophobicContact CD1-CG 4.22Å; Y242-Y259 AromaticContact CD1-CZ 3.48Å; Y242-Y259 VanDerWaalsContact CD1-CZ 3.48Å; Y242-Y259 AromaticContact CD2-CD2 3.54Å; Y242-Y259 HydrophobicContact CD2-CD2 3.54Å; Y242-Y259 AromaticContact CD2-CE2 3.74Å; Y242-Y259 HydrophobicContact CD2-CE2 3.74Å; Y242-Y259 HydrophobicContact CD2-CG 4.18Å; Y242-Y259 AromaticContact CE1-CD1 3.61Å; Y242-Y259 HydrophobicContact CE1-CD1 3.61Å; Y242-Y259 AromaticContact CE1-CD2 3.87Å; Y242-Y259 HydrophobicContact CE1-CD2 3.87Å; Y242-Y259 AromaticContact CE1-CE1 3.63Å; Y242-Y259 HydrophobicContact CE1-CE1 3.63Å; Y242-Y259 AromaticContact CE1-CE2 3.9Å; Y242-Y259 HydrophobicContact CE1-CE2 3.9Å; Y242-Y259 AromaticContact CE1-CG 3.72Å; Y242-Y259 HydrophobicContact CE1-CG 3.72Å; Y242-Y259 AromaticContact CE1-CZ 3.78Å; Y242-Y259 HydrophobicContact CE2-CD1 4.41Å; Y242-Y259 AromaticContact CE2-CD2 3.49Å; Y242-Y259 HydrophobicContact CE2-CD2 3.49Å; Y242-Y259 VanDerWaalsContact CE2-CD2 3.49Å; Y242-Y259 HydrophobicContact CE2-CE2 4.09Å; Y242-Y259 AromaticContact CE2-CG 3.67Å; Y242-Y259 HydrophobicContact CE2-CG 3.67Å; Y242-Y259 AromaticContact CG-CD2 3.73Å; Y242-Y259 HydrophobicContact CG-CD2 3.73Å; Y242-Y259 AromaticContact CG-CE2 3.41Å; Y242-Y259 HydrophobicContact CG-CE2 3.41Å; Y242-Y259 VanDerWaalsContact CG-CE2 3.41Å; Y242-Y259 HydrophobicContact CG-CG 4.42Å; Y242-Y259 AromaticContact CG-CZ 3.87Å; Y242-Y259 AromaticContact CZ-CD1 3.72Å; Y242-Y259 AromaticContact CZ-CD2 3.65Å; Y242-Y259 AromaticContact CZ-CG 3.4Å; Y242-Y259 VanDerWaalsContact CZ-CG 3.4Å
243	E	93.6	Very high	91.7	Very high	81 Å²	81	45.4 Å²	45.4	38%	0.379	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-41.8	179.2	-78.2	-65.4	151.3	0	0	112	E239 P240 R246 L247	E239-E243 WeakPolarHBondContact O-CG 3.26Å; E239-E243 PolarHBondContact O-N 3.39Å; P240-E243 PolarHBondContact O-N 2.91Å; E243-R246 VanDerWaalsContact CD-CZ 3.46Å; E243-R246 VanDerWaalsContact CD-NH2 3.31Å; E243-R246 IonicContact OE1-CZ 2.69Å; E243-R246 IonicContact OE1-NH1 3.03Å; E243-R246 PolarHBondContact OE1-NH1 3.32Å; E243-R246 IonicContact OE1-NH2 2.71Å; E243-R246 PolarHBondContact OE1-NH2 2.79Å; E243-R246 IonicContact OE2-CZ 3.2Å; E243-R246 IonicContact OE2-NE 3.14Å; E243-R246 IonicContact OE2-NH1 3.88Å; E243-R246 IonicContact OE2-NH2 3.59Å; E243-R246 PolarHBondContact OE2-NH2 3.46Å; E243-L247 PolarHBondContact O-N 3.38Å
244	A	92.6	Very high	91.6	Very high	18 Å²	18	45.5 Å²	45.5	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-46.3	172.6	0	0	0	0	0	111.7	A213 P240 A241 Y242 L247 I248	A213-A244 HydrophobicContact CB-CB 3.8Å; P240-A244 PolarHBondContact O-N 3.3Å; A241-A244 PolarHBondContact O-N 3.19Å; Y242-A244 VanDerWaalsContact C-N 3.33Å; Y242-A244 PolarHBondContact O-N 3.28Å; A244-L247 PolarHBondContact O-N 3.48Å; A244-I248 WeakPolarHBondContact O-CD1 3.49Å; A244-I248 WeakPolarHBondContact O-CG1 3.27Å; A244-I248 PolarHBondContact O-N 2.7Å
245	F	95	Very high	91.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-45.6	178.4	178.7	-94.3	0	0	0	111.8	A213 M216 A217 V220 V228 V230 A241 Y242 L247 I248 A249 I256 V287 F289	A213-F245 HydrophobicContact CB-CB 4.01Å; M216-F245 HydrophobicContact CB-CD2 4.25Å; M216-F245 HydrophobicContact CB-CE2 4.17Å; A217-F245 HydrophobicContact CB-CD2 4.16Å; A217-F245 HydrophobicContact CB-CE2 3.92Å; V220-F245 HydrophobicContact CG2-CE2 4.4Å; V220-F245 HydrophobicContact CG2-CZ 4.24Å; V228-F245 HydrophobicContact CG2-CE1 4.36Å; V228-F245 HydrophobicContact CG2-CZ 4.5Å; V230-F245 HydrophobicContact CG2-CD1 4.15Å; V230-F245 HydrophobicContact CG2-CE1 3.91Å; A241-F245 WeakPolarHBondContact O-CB 3.41Å; A241-F245 PolarHBondContact O-N 2.85Å; Y242-F245 PolarHBondContact O-N 2.93Å; F245-L247 VanDerWaalsContact C-N 3.32Å; F245-L247 PolarHBondContact O-N 2.83Å; F245-I248 PolarHBondContact O-N 3.16Å; F245-I248 VanDerWaalsContact O-N 3.16Å; F245-A249 HydrophobicContact CD1-CB 4.29Å; F245-A249 HydrophobicContact CE1-CB 3.98Å; F245-A249 HydrophobicContact CZ-CB 4.27Å; F245-A249 WeakPolarHBondContact O-CB 3.33Å; F245-A249 PolarHBondContact O-N 3.25Å; F245-I256 HydrophobicContact CD1-CD1 4.31Å; F245-I256 HydrophobicContact CE1-CD1 4.37Å; F245-V287 HydrophobicContact CE1-CG1 4.47Å; F245-V287 HydrophobicContact CE1-CG2 4.37Å; F245-V287 HydrophobicContact CE2-CG1 4.2Å; F245-V287 HydrophobicContact CZ-CB 4.48Å; F245-V287 HydrophobicContact CZ-CG1 4.18Å; F245-V287 HydrophobicContact CZ-CG2 3.9Å; F245-F289 HydrophobicContact CB-CE2 3.86Å; F245-F289 HydrophobicContact CB-CZ 3.83Å; F245-F289 HydrophobicContact CD2-CE2 4.43Å; F245-F289 HydrophobicContact CD2-CZ 4.17Å; F245-F289 HydrophobicContact CG-CE2 4.05Å; F245-F289 HydrophobicContact CG-CZ 4.12Å
246	R	95	Very high	91.8	Very high	108 Å²	108	44.1 Å²	44.1	41%	0.408	23%	0.23	S	C	.	.	H	α-helix	trans	-56.9	-44.6	179.1	-176.8	-179.2	79.4	-168	3.8	111.9	Y242 E243 S250 I256	Y242-R246 HydrophobicContact CE2-CB 4.32Å; Y242-R246 WeakPolarHBondContact O-CB 3.49Å; Y242-R246 PolarHBondContact O-N 3.32Å; E243-R246 VanDerWaalsContact CD-CZ 3.46Å; E243-R246 VanDerWaalsContact CD-NH2 3.31Å; E243-R246 IonicContact OE1-CZ 2.69Å; E243-R246 IonicContact OE1-NH1 3.03Å; E243-R246 PolarHBondContact OE1-NH1 3.32Å; E243-R246 IonicContact OE1-NH2 2.71Å; E243-R246 PolarHBondContact OE1-NH2 2.79Å; E243-R246 IonicContact OE2-CZ 3.2Å; E243-R246 IonicContact OE2-NE 3.14Å; E243-R246 IonicContact OE2-NH1 3.88Å; E243-R246 IonicContact OE2-NH2 3.59Å; E243-R246 PolarHBondContact OE2-NH2 3.46Å; R246-S250 VanDerWaalsContact O-CB 3.3Å; R246-S250 WeakPolarHBondContact O-CB 3.34Å; R246-S250 PolarHBondContact O-N 3.28Å; R246-I256 HydrophobicContact CB-CD1 3.99Å; R246-I256 HydrophobicContact CG-CD1 3.95Å
247	L	93.4	Very high	91.9	Very high	96 Å²	96	44.1 Å²	44.1	50%	0.503	23%	0.23	S	C	.	.	H	α-helix	trans	-63.7	-42.1	178.6	-177.8	65.3	0	0	0	111.8	E243 A244 F245 R251	E243-L247 PolarHBondContact O-N 3.38Å; A244-L247 PolarHBondContact O-N 3.48Å; F245-L247 VanDerWaalsContact C-N 3.32Å; F245-L247 PolarHBondContact O-N 2.83Å; L247-R251 WeakPolarHBondContact O-CG 3.46Å; L247-R251 PolarHBondContact O-N 3.15Å
248	I	93	Very high	92	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-72.4	-46.6	-179.6	-64.2	160.7	0	0	0	110.8	A213 Q214 A217 A244 F245 S250 R251 Q252	A213-I248 HydrophobicContact CB-CD1 4.15Å; Q214-I248 HydrophobicContact CB-CD1 3.96Å; Q214-I248 VanDerWaalsContact OE1-CG2 3.26Å; A217-I248 HydrophobicContact CB-CB 4.25Å; A217-I248 HydrophobicContact CB-CG2 3.48Å; A217-I248 VanDerWaalsContact CB-CG2 3.48Å; A244-I248 WeakPolarHBondContact O-CD1 3.49Å; A244-I248 WeakPolarHBondContact O-CG1 3.27Å; A244-I248 PolarHBondContact O-N 2.7Å; F245-I248 PolarHBondContact O-N 3.16Å; F245-I248 VanDerWaalsContact O-N 3.16Å; I248-S250 VanDerWaalsContact C-N 3.34Å; I248-S250 PolarHBondContact O-N 2.74Å; I248-R251 WeakPolarHBondContact O-CB 3.5Å; I248-R251 PolarHBondContact O-N 2.96Å; I248-R251 VanDerWaalsContact O-N 3.15Å; I248-Q252 WeakPolarHBondContact O-CG 3.33Å; I248-Q252 PolarHBondContact O-N 2.69Å; I248-Q252 VanDerWaalsContact O-N 3.1Å
249	A	93.1	Very high	92.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-46.5	177.9	0	0	0	0	0	111.5	F245 R251 Q252 G253 I254	F245-A249 HydrophobicContact CD1-CB 4.29Å; F245-A249 HydrophobicContact CE1-CB 3.98Å; F245-A249 HydrophobicContact CZ-CB 4.27Å; F245-A249 WeakPolarHBondContact O-CB 3.33Å; F245-A249 PolarHBondContact O-N 3.25Å; A249-R251 VanDerWaalsContact C-N 3.34Å; A249-R251 PolarHBondContact O-N 3.41Å; A249-Q252 CarbonylContact O-C 3.53Å; A249-Q252 WeakPolarHBondContact O-CA 3.49Å; A249-Q252 PolarHBondContact O-N 3.09Å; A249-G253 PolarHBondContact O-N 3.21Å; A249-G253 VanDerWaalsContact O-N 3.08Å; A249-I254 CarbonylContact C-O 3.55Å; A249-I254 HydrophobicContact CB-CB 3.97Å; A249-I254 HydrophobicContact CB-CG2 4.21Å; A249-I254 PolarHBondContact O-N 2.97Å
250	S	91.1	Very high	92.3	Very high	89 Å²	89	48.2 Å²	48.2	62%	0.622	25%	0.248	S	C	*	.	H	α-helix	trans	-58.8	-42.2	176.8	179.3	0	0	0	0	112.4	R246 I248 Q252 G253	R246-S250 VanDerWaalsContact O-CB 3.3Å; R246-S250 WeakPolarHBondContact O-CB 3.34Å; R246-S250 PolarHBondContact O-N 3.28Å; I248-S250 VanDerWaalsContact C-N 3.34Å; I248-S250 PolarHBondContact O-N 2.74Å; S250-Q252 PolarHBondContact O-N 3.41Å; S250-G253 PolarHBondContact O-N 3.25Å
251	R	91.4	Very high	92.4	Very high	193 Å²	193	49.4 Å²	49.4	73%	0.728	25%	0.249	S	C	*	.	H	α-helix	trans	-66.4	-25.4	175.5	-70.6	174	178.2	169.9	0.6	113.3	L247 I248 A249	L247-R251 WeakPolarHBondContact O-CG 3.46Å; L247-R251 PolarHBondContact O-N 3.15Å; I248-R251 WeakPolarHBondContact O-CB 3.5Å; I248-R251 PolarHBondContact O-N 2.96Å; I248-R251 VanDerWaalsContact O-N 3.15Å; A249-R251 VanDerWaalsContact C-N 3.34Å; A249-R251 PolarHBondContact O-N 3.41Å
252	Q	90	Very high	92.5	Very high	45 Å²	45	49.5 Å²	49.5	21%	0.21	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.6	178.4	-65.7	-172.3	-2.2	0	0	113.5	A217 D218 K221 I248 A249 S250 I254	A217-Q252 PolarHBondContact O-OE1 3.45Å; D218-Q252 PolarHBondContact OD1-NE2 2.92Å; K221-Q252 HydrophobicContact CD-CB 4.35Å; K221-Q252 HydrophobicContact CD-CG 4.39Å; I248-Q252 WeakPolarHBondContact O-CG 3.33Å; I248-Q252 PolarHBondContact O-N 2.69Å; I248-Q252 VanDerWaalsContact O-N 3.1Å; A249-Q252 CarbonylContact O-C 3.53Å; A249-Q252 WeakPolarHBondContact O-CA 3.49Å; A249-Q252 PolarHBondContact O-N 3.09Å; S250-Q252 PolarHBondContact O-N 3.41Å; Q252-I254 HydrophobicContact CB-CD1 4.08Å; Q252-I254 HydrophobicContact CB-CG1 4.4Å
253	G	86.9	Confident	92.2	Very high	43 Å²	43	55.8 Å²	55.8	44%	0.443	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	17.3	-179	0	0	0	0	0	114.4	A249 S250	A249-G253 PolarHBondContact O-N 3.21Å; A249-G253 VanDerWaalsContact O-N 3.08Å; S250-G253 PolarHBondContact O-N 3.25Å
254	I	90.2	Very high	91.5	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-90.4	123.5	176.5	-60.2	160.3	0	0	0	108.5	V220 K221 V228 A249 Q252	V220-I254 HydrophobicContact CB-CD1 4.09Å; V220-I254 HydrophobicContact CG1-CD1 3.65Å; V220-I254 HydrophobicContact CG1-CG1 4.14Å; V220-I254 HydrophobicContact CG1-CG2 3.84Å; K221-I254 HydrophobicContact CB-CD1 4.23Å; V228-I254 HydrophobicContact CG2-CG2 3.9Å; A249-I254 CarbonylContact C-O 3.55Å; A249-I254 HydrophobicContact CB-CB 3.97Å; A249-I254 HydrophobicContact CB-CG2 4.21Å; A249-I254 PolarHBondContact O-N 2.97Å; Q252-I254 HydrophobicContact CB-CD1 4.08Å; Q252-I254 HydrophobicContact CB-CG1 4.4Å
255	C	91	Very high	90.9	Very high	36 Å²	36	59.6 Å²	59.6	24%	0.243	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143	176.8	-87.3	0	0	0	0	112.2	N226 F227 V228 C507	N226-C255 PolarHBondContact O-N 2.83Å; F227-C255 WeakPolarHBondContact CA-O 3.25Å; F227-C255 HydrophobicContact CD2-CB 3.67Å; F227-C255 HydrophobicContact CE2-CB 4.08Å; V228-C255 PolarHBondContact N-O 3.45Å; C255-C507 HydrophobicContact CB-CB 3.98Å; C255-C507 WeakPolarHBondContact CB-SG 3.41Å; C255-C507 WeakPolarHBondContact SG-CB 3.41Å; C255-C507 CovalentContact SG-SG 2.01Å; C255-C507 PolarHBondContact SG-SG 2.83Å
256	I	92.5	Very high	90.6	Very high	43 Å²	43	61.6 Å²	61.6	22%	0.221	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.3	176.4	-59.6	178.8	0	0	0	108	V228 V230 Y242 F245 R246 I258	V228-I256 CarbonylContact O-C 3.53Å; V228-I256 VanDerWaalsContact O-CA 3.28Å; V228-I256 WeakPolarHBondContact O-CA 3.32Å; V230-I256 HydrophobicContact CB-CG2 4.49Å; V230-I256 HydrophobicContact CG2-CD1 4.03Å; V230-I256 HydrophobicContact CG2-CG1 4.19Å; V230-I256 HydrophobicContact CG2-CG2 3.93Å; Y242-I256 HydrophobicContact CE2-CD1 3.81Å; F245-I256 HydrophobicContact CD1-CD1 4.31Å; F245-I256 HydrophobicContact CE1-CD1 4.37Å; R246-I256 HydrophobicContact CB-CD1 3.99Å; R246-I256 HydrophobicContact CG-CD1 3.95Å; I256-I258 WeakPolarHBondContact CG2-O 3.3Å
257	S	90.2	Very high	90.3	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-47.4	-178.5	70.9	0	0	0	0	111.6	V228 S283	V228-S257 PolarHBondContact O-N 3.47Å; V228-S257 PolarHBondContact O-OG 3.28Å; S257-S283 WeakPolarHBondContact OG-CB 3.37Å; S257-S283 PolarHBondContact OG-OG 3.44Å
258	I	92.7	Very high	90.1	Very high	32 Å²	32	62.3 Å²	62.3	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145	-178.4	-163.6	171.9	0	0	0	108.4	A229 V230 I256 E260 A277 L278 E281	A229-I258 HydrophobicContact CB-CG2 3.72Å; V230-I258 PolarHBondContact N-O 3.49Å; I256-I258 WeakPolarHBondContact CG2-O 3.3Å; I258-E260 HydrophobicContact CD1-CG 3.99Å; I258-E260 VanDerWaalsContact CD1-OE1 3.23Å; I258-E260 WeakPolarHBondContact CD1-OE1 3.31Å; I258-E260 HydrophobicContact CG1-CG 4.11Å; I258-A277 HydrophobicContact CD1-CB 4.45Å; I258-L278 HydrophobicContact CG2-CD2 3.76Å; I258-E281 HydrophobicContact CB-CG 4.05Å; I258-E281 HydrophobicContact CD1-CG 4.39Å; I258-E281 HydrophobicContact CG2-CG 3.89Å
259	Y	94.8	Very high	90.1	Very high	70 Å²	70	66.5 Å²	66.5	28%	0.275	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.1	171	167.3	-120.9	0	0	0	107.8	V230 A232 Y242	V230-Y259 HydrophobicContact CB-CD2 4.39Å; V230-Y259 HydrophobicContact CG1-CD2 4.5Å; V230-Y259 WeakPolarHBondContact O-CA 3.43Å; A232-Y259 HydrophobicContact CB-CE2 3.76Å; Y242-Y259 HydrophobicContact CD1-CD1 4.2Å; Y242-Y259 AromaticContact CD1-CD2 3.91Å; Y242-Y259 HydrophobicContact CD1-CD2 3.91Å; Y242-Y259 AromaticContact CD1-CE1 3.84Å; Y242-Y259 HydrophobicContact CD1-CE1 3.84Å; Y242-Y259 AromaticContact CD1-CE2 3.52Å; Y242-Y259 HydrophobicContact CD1-CE2 3.52Å; Y242-Y259 HydrophobicContact CD1-CG 4.22Å; Y242-Y259 AromaticContact CD1-CZ 3.48Å; Y242-Y259 VanDerWaalsContact CD1-CZ 3.48Å; Y242-Y259 AromaticContact CD2-CD2 3.54Å; Y242-Y259 HydrophobicContact CD2-CD2 3.54Å; Y242-Y259 AromaticContact CD2-CE2 3.74Å; Y242-Y259 HydrophobicContact CD2-CE2 3.74Å; Y242-Y259 HydrophobicContact CD2-CG 4.18Å; Y242-Y259 AromaticContact CE1-CD1 3.61Å; Y242-Y259 HydrophobicContact CE1-CD1 3.61Å; Y242-Y259 AromaticContact CE1-CD2 3.87Å; Y242-Y259 HydrophobicContact CE1-CD2 3.87Å; Y242-Y259 AromaticContact CE1-CE1 3.63Å; Y242-Y259 HydrophobicContact CE1-CE1 3.63Å; Y242-Y259 AromaticContact CE1-CE2 3.9Å; Y242-Y259 HydrophobicContact CE1-CE2 3.9Å; Y242-Y259 AromaticContact CE1-CG 3.72Å; Y242-Y259 HydrophobicContact CE1-CG 3.72Å; Y242-Y259 AromaticContact CE1-CZ 3.78Å; Y242-Y259 HydrophobicContact CE2-CD1 4.41Å; Y242-Y259 AromaticContact CE2-CD2 3.49Å; Y242-Y259 HydrophobicContact CE2-CD2 3.49Å; Y242-Y259 VanDerWaalsContact CE2-CD2 3.49Å; Y242-Y259 HydrophobicContact CE2-CE2 4.09Å; Y242-Y259 AromaticContact CE2-CG 3.67Å; Y242-Y259 HydrophobicContact CE2-CG 3.67Å; Y242-Y259 AromaticContact CG-CD2 3.73Å; Y242-Y259 HydrophobicContact CG-CD2 3.73Å; Y242-Y259 AromaticContact CG-CE2 3.41Å; Y242-Y259 HydrophobicContact CG-CE2 3.41Å; Y242-Y259 VanDerWaalsContact CG-CE2 3.41Å; Y242-Y259 HydrophobicContact CG-CG 4.42Å; Y242-Y259 AromaticContact CG-CZ 3.87Å; Y242-Y259 AromaticContact CZ-CD1 3.72Å; Y242-Y259 AromaticContact CZ-CD2 3.65Å; Y242-Y259 AromaticContact CZ-CG 3.4Å; Y242-Y259 VanDerWaalsContact CZ-CG 3.4Å
260	E	94.4	Very high	90.1	Very high	52 Å²	52	68.3 Å²	68.3	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.9	178.6	-73.1	-64.6	164.1	0	0	110.6	V230 L231 A232 I258 L274	V230-E260 PolarHBondContact O-N 3.04Å; L231-E260 WeakPolarHBondContact CA-O 3.47Å; L231-E260 HydrophobicContact CD2-CB 3.61Å; L231-E260 HydrophobicContact CD2-CG 4.43Å; A232-E260 PolarHBondContact N-O 3.47Å; A232-E260 VanDerWaalsContact N-O 3.11Å; I258-E260 HydrophobicContact CD1-CG 3.99Å; I258-E260 VanDerWaalsContact CD1-OE1 3.23Å; I258-E260 WeakPolarHBondContact CD1-OE1 3.31Å; I258-E260 HydrophobicContact CG1-CG 4.11Å; E260-L274 HydrophobicContact CB-CD1 4.3Å; E260-L274 HydrophobicContact CB-CG 4.37Å
261	K	93.9	Very high	90.3	Very high	61 Å²	61	64.2 Å²	64.2	27%	0.265	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.8	179.3	179.9	167.5	68.5	160.8	0	110.7	A232 E234 E239 R263 Y266	A232-K261 WeakPolarHBondContact O-CA 3.45Å; E234-K261 HydrophobicContact CB-CD 3.8Å; E234-K261 HydrophobicContact CB-CG 3.98Å; E234-K261 HydrophobicContact CG-CD 3.97Å; E234-K261 WeakPolarHBondContact OE1-CE 3.43Å; E234-K261 IonicContact OE1-NZ 3.49Å; E234-K261 PolarHBondContact OE1-NZ 2.99Å; E239-K261 HydrophobicContact CG-CD 4.24Å; E239-K261 WeakPolarHBondContact OE1-CD 3.26Å; E239-K261 IonicContact OE1-NZ 3.77Å; E239-K261 PolarHBondContact OE1-NZ 3.39Å; K261-R263 PolarHBondContact O-N 3.38Å; K261-Y266 PolarHBondContact O-OH 2.96Å
262	V	92.9	Very high	90.5	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.7	174.7	-174.7	0	0	0	0	108.5	A232 D233 E234 Y266 F271 L274 N294	A232-V262 PolarHBondContact O-N 3.15Å; D233-V262 WeakPolarHBondContact OD1-CB 3.41Å; E234-V262 PolarHBondContact N-O 3.43Å; V262-Y266 HydrophobicContact CG1-CD2 4.01Å; V262-Y266 HydrophobicContact CG1-CE2 4.44Å; V262-Y266 HydrophobicContact CG1-CG 4.33Å; V262-F271 HydrophobicContact CG1-CE1 4Å; V262-F271 HydrophobicContact CG1-CZ 4.04Å; V262-L274 HydrophobicContact CG2-CD1 3.86Å; V262-N294 HydrophobicContact CG1-CB 4.19Å
263	R	89.6	Confident	90.7	Very high	150 Å²	150	60.1 Å²	60.1	57%	0.566	28%	0.279	S	S	*	.			trans	-80.3	154.4	178.6	-52.1	178.8	-172.2	172.5	-2	109.9	E234 K261 Y265 Y266	E234-R263 WeakPolarHBondContact OE2-CB 3.45Å; E234-R263 WeakPolarHBondContact OE2-CG 3.41Å; K261-R263 PolarHBondContact O-N 3.38Å; R263-Y265 VanDerWaalsContact C-N 3.29Å; R263-Y265 PolarHBondContact O-N 3.35Å; R263-Y266 HydrophobicContact CB-CD1 3.56Å; R263-Y266 HydrophobicContact CB-CE1 3.43Å; R263-Y266 VanDerWaalsContact CB-CE1 3.43Å; R263-Y266 HydrophobicContact CG-CD1 4.15Å; R263-Y266 HydrophobicContact CG-CE1 3.47Å; R263-Y266 VanDerWaalsContact CG-CE1 3.47Å; R263-Y266 VanDerWaalsContact N-CE1 3.34Å; R263-Y266 WeakPolarHBondContact O-CD1 3.34Å; R263-Y266 PolarHBondContact O-N 2.73Å
264	R	78	Confident	91.1	Very high	76 Å²	76	58.4 Å²	58.4	29%	0.287	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-41.3	-175.5	-166.5	175.1	-173.5	169.8	-0.3	114.4	Q116 D117	Q116-R264 VanDerWaalsContact CA-NH2 3.33Å; Q116-R264 VanDerWaalsContact CG-NH2 3.28Å; D117-R264 IonicContact OD1-CZ 3.77Å; D117-R264 VanDerWaalsContact OD1-CZ 3.3Å; D117-R264 IonicContact OD1-NH1 2.6Å; D117-R264 PolarHBondContact OD1-NH1 3.31Å; D117-R264 IonicContact OD1-NH2 2.67Å; D117-R264 PolarHBondContact OD1-NH2 2.77Å; D117-R264 IonicContact OD2-NH1 3.39Å; D117-R264 PolarHBondContact OD2-NH1 3.1Å
265	Y	80.8	Confident	91.3	Very high	104 Å²	104	58.1 Å²	58.1	41%	0.408	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	37.1	-174.9	-54.5	-60.2	0	0	0	113.3	P67 R263 R267	P67-Y265 HydrophobicContact CB-CD1 4.02Å; P67-Y265 HydrophobicContact CB-CD2 4.33Å; P67-Y265 HydrophobicContact CB-CE1 3.8Å; P67-Y265 HydrophobicContact CB-CE2 4.1Å; P67-Y265 HydrophobicContact CB-CG 4.27Å; P67-Y265 HydrophobicContact CG-CD1 3.73Å; P67-Y265 HydrophobicContact CG-CE1 3.94Å; P67-Y265 HydrophobicContact CG-CG 4.07Å; R263-Y265 VanDerWaalsContact C-N 3.29Å; R263-Y265 PolarHBondContact O-N 3.35Å; Y265-R267 PolarHBondContact O-N 2.74Å
266	Y	86.9	Confident	91.5	Very high	41 Å²	41	60.9 Å²	60.9	16%	0.161	27%	0.268	C	S	.	.			trans	-60.9	132.4	172.7	-93.9	27.9	0	0	0	111.3	K261 V262 R263 D270 F271 L274	K261-Y266 PolarHBondContact O-OH 2.96Å; V262-Y266 HydrophobicContact CG1-CD2 4.01Å; V262-Y266 HydrophobicContact CG1-CE2 4.44Å; V262-Y266 HydrophobicContact CG1-CG 4.33Å; R263-Y266 HydrophobicContact CB-CD1 3.56Å; R263-Y266 HydrophobicContact CB-CE1 3.43Å; R263-Y266 VanDerWaalsContact CB-CE1 3.43Å; R263-Y266 HydrophobicContact CG-CD1 4.15Å; R263-Y266 HydrophobicContact CG-CE1 3.47Å; R263-Y266 VanDerWaalsContact CG-CE1 3.47Å; R263-Y266 VanDerWaalsContact N-CE1 3.34Å; R263-Y266 WeakPolarHBondContact O-CD1 3.34Å; R263-Y266 PolarHBondContact O-N 2.73Å; Y266-D270 HydrophobicContact CD1-CB 4.29Å; Y266-D270 HydrophobicContact CD2-CB 3.82Å; Y266-D270 HydrophobicContact CE2-CB 4.13Å; Y266-D270 HydrophobicContact CG-CB 3.91Å; Y266-F271 VanDerWaalsContact CB-CE2 3.49Å; Y266-F271 HydrophobicContact CD2-CE1 4.44Å; Y266-F271 HydrophobicContact CD2-CE2 4.38Å; Y266-F271 HydrophobicContact CD2-CZ 4.34Å; Y266-F271 HydrophobicContact CG-CE2 4.47Å; Y266-L274 HydrophobicContact CE2-CD1 4.07Å
267	R	88.6	Confident	91.5	Very high	147 Å²	147	60 Å²	60	56%	0.555	27%	0.268	S	S	*	.			trans	-91.3	165	171.5	-59.8	177.3	-62.5	157.5	12.9	109.4	Y265 E269 D270 F271	Y265-R267 PolarHBondContact O-N 2.74Å; R267-E269 IonicContact NH2-OE2 3.84Å; R267-E269 PolarHBondContact NH2-OE2 2.72Å; R267-E269 PolarHBondContact O-N 3.07Å; R267-E269 VanDerWaalsContact O-N 3.16Å; R267-D270 PolarHBondContact N-OD2 3.07Å; R267-D270 VanDerWaalsContact N-OD2 3.11Å; R267-D270 IonicContact NE-OD2 3.35Å; R267-D270 WeakPolarHBondContact O-CB 3.33Å; R267-D270 PolarHBondContact O-N 3.46Å; R267-F271 WeakPolarHBondContact O-CD2 3.4Å; R267-F271 PolarHBondContact O-N 3.11Å
268	D	89.8	Confident	91.6	Very high	73 Å²	73	58.9 Å²	58.9	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-52.9	-39.1	179.3	-72.4	1.7	0	0	0	112.3	D270 F271 L272 K300	D268-D270 VanDerWaalsContact C-N 3.29Å; D268-D270 PolarHBondContact O-N 3.47Å; D268-F271 PolarHBondContact O-N 3.14Å; D268-L272 WeakPolarHBondContact O-CG 3.12Å; D268-L272 PolarHBondContact O-N 2.71Å; D268-K300 IonicContact OD2-NZ 2.96Å; D268-K300 PolarHBondContact OD2-NZ 3.35Å
269	E	92.9	Very high	91.5	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-35.1	175.1	-65.3	175.8	-173.1	0	0	114	R267 L272 K273	R267-E269 IonicContact NH2-OE2 3.84Å; R267-E269 PolarHBondContact NH2-OE2 2.72Å; R267-E269 PolarHBondContact O-N 3.07Å; R267-E269 VanDerWaalsContact O-N 3.16Å; E269-L272 PolarHBondContact O-N 2.91Å; E269-K273 WeakPolarHBondContact O-CG 3.33Å; E269-K273 PolarHBondContact O-N 3.31Å; E269-K273 VanDerWaalsContact O-N 3.1Å
270	D	94.7	Very high	91.3	Very high	38 Å²	38	66.7 Å²	66.7	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-74.3	-36.7	-178.7	-57.8	-50.5	0	0	0	110.1	Y266 R267 D268 K273 L274	Y266-D270 HydrophobicContact CD1-CB 4.29Å; Y266-D270 HydrophobicContact CD2-CB 3.82Å; Y266-D270 HydrophobicContact CE2-CB 4.13Å; Y266-D270 HydrophobicContact CG-CB 3.91Å; R267-D270 PolarHBondContact N-OD2 3.07Å; R267-D270 VanDerWaalsContact N-OD2 3.11Å; R267-D270 IonicContact NE-OD2 3.35Å; R267-D270 WeakPolarHBondContact O-CB 3.33Å; R267-D270 PolarHBondContact O-N 3.46Å; D268-D270 VanDerWaalsContact C-N 3.29Å; D268-D270 PolarHBondContact O-N 3.47Å; D270-K273 PolarHBondContact O-N 2.85Å; D270-K273 IonicContact OD1-NZ 2.91Å; D270-L274 WeakPolarHBondContact O-CB 3.45Å; D270-L274 PolarHBondContact O-N 3.38Å
271	F	94.6	Very high	90.9	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-40.3	170.5	-74.9	-77.9	0	0	0	112	V262 Y266 R267 D268 L274 I275 N294 K297 L298 A301	V262-F271 HydrophobicContact CG1-CE1 4Å; V262-F271 HydrophobicContact CG1-CZ 4.04Å; Y266-F271 VanDerWaalsContact CB-CE2 3.49Å; Y266-F271 HydrophobicContact CD2-CE1 4.44Å; Y266-F271 HydrophobicContact CD2-CE2 4.38Å; Y266-F271 HydrophobicContact CD2-CZ 4.34Å; Y266-F271 HydrophobicContact CG-CE2 4.47Å; R267-F271 WeakPolarHBondContact O-CD2 3.4Å; R267-F271 PolarHBondContact O-N 3.11Å; D268-F271 PolarHBondContact O-N 3.14Å; F271-L274 PolarHBondContact O-N 3.41Å; F271-I275 WeakPolarHBondContact O-CG1 3.5Å; F271-I275 PolarHBondContact O-N 3.01Å; F271-N294 HydrophobicContact CE1-CB 4.4Å; F271-N294 HydrophobicContact CZ-CB 4.24Å; F271-K297 HydrophobicContact CD1-CB 4.29Å; F271-K297 HydrophobicContact CD2-CB 3.8Å; F271-K297 HydrophobicContact CD2-CD 4.32Å; F271-K297 HydrophobicContact CE1-CB 4.07Å; F271-K297 HydrophobicContact CE2-CB 3.57Å; F271-K297 HydrophobicContact CE2-CD 3.52Å; F271-K297 HydrophobicContact CE2-CG 4.17Å; F271-K297 HydrophobicContact CG-CB 4.17Å; F271-K297 HydrophobicContact CZ-CB 3.72Å; F271-K297 HydrophobicContact CZ-CD 3.96Å; F271-K297 HydrophobicContact CZ-CG 4.49Å; F271-L298 HydrophobicContact CD1-CB 4.24Å; F271-L298 HydrophobicContact CD1-CD1 4.14Å; F271-L298 HydrophobicContact CE1-CB 4.42Å; F271-A301 HydrophobicContact CB-CB 3.86Å
272	L	95.7	Very high	90.2	Very high	30 Å²	30	74.5 Å²	74.5	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-45.7	174.4	-66.1	172.4	0	0	0	111.5	D268 E269 L274 I275 M276 A301 E304 L305	D268-L272 WeakPolarHBondContact O-CG 3.12Å; D268-L272 PolarHBondContact O-N 2.71Å; E269-L272 PolarHBondContact O-N 2.91Å; L272-L274 PolarHBondContact O-N 3.24Å; L272-I275 PolarHBondContact O-N 2.92Å; L272-M276 WeakPolarHBondContact O-CG 3.42Å; L272-M276 PolarHBondContact O-N 3.42Å; L272-A301 HydrophobicContact CD2-CB 3.93Å; L272-A301 HydrophobicContact CG-CB 4.48Å; L272-E304 HydrophobicContact CD2-CB 4.06Å; L272-E304 HydrophobicContact CD2-CG 4.11Å; L272-L305 HydrophobicContact CB-CD1 4.47Å; L272-L305 HydrophobicContact CD2-CD1 4Å; L272-L305 HydrophobicContact CD2-CD2 4.07Å; L272-L305 HydrophobicContact CD2-CG 3.71Å
273	K	94.8	Very high	89.6	Confident	123 Å²	123	74.5 Å²	74.5	54%	0.535	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-42.1	176.5	-71.2	170.5	-169.1	161.1	0	112.1	E269 D270 M276 A277	E269-K273 WeakPolarHBondContact O-CG 3.33Å; E269-K273 PolarHBondContact O-N 3.31Å; E269-K273 VanDerWaalsContact O-N 3.1Å; D270-K273 PolarHBondContact O-N 2.85Å; D270-K273 IonicContact OD1-NZ 2.91Å; K273-M276 PolarHBondContact O-N 3.36Å; K273-A277 PolarHBondContact O-N 3.37Å
274	L	94.9	Very high	89.4	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-48.3	176.9	-178.7	160	0	0	0	110.8	L231 E260 V262 Y266 D270 F271 L272 M276 A277 L278 L298	L231-L274 HydrophobicContact CD1-CD2 4.1Å; L231-L274 HydrophobicContact CD2-CD1 4.36Å; L231-L274 HydrophobicContact CD2-CD2 3.92Å; L231-L274 HydrophobicContact CD2-CG 4.41Å; E260-L274 HydrophobicContact CB-CD1 4.3Å; E260-L274 HydrophobicContact CB-CG 4.37Å; V262-L274 HydrophobicContact CG2-CD1 3.86Å; Y266-L274 HydrophobicContact CE2-CD1 4.07Å; D270-L274 WeakPolarHBondContact O-CB 3.45Å; D270-L274 PolarHBondContact O-N 3.38Å; F271-L274 PolarHBondContact O-N 3.41Å; L272-L274 PolarHBondContact O-N 3.24Å; L274-M276 VanDerWaalsContact C-N 3.31Å; L274-M276 PolarHBondContact O-N 3.06Å; L274-A277 WeakPolarHBondContact O-CB 3.21Å; L274-A277 PolarHBondContact O-N 3.29Å; L274-A277 VanDerWaalsContact O-N 3.12Å; L274-L278 HydrophobicContact CD2-CD1 3.77Å; L274-L278 HydrophobicContact CD2-CG 4.16Å; L274-L278 PolarHBondContact O-N 3.47Å; L274-L298 HydrophobicContact CD2-CD1 3.64Å
275	I	94.8	Very high	90	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-38.2	177.2	-66.5	-57.3	0	0	0	111.6	F271 L272 A277 L278 H279 L298 A301 V302 L305 L307 F311 W313	F271-I275 WeakPolarHBondContact O-CG1 3.5Å; F271-I275 PolarHBondContact O-N 3.01Å; L272-I275 PolarHBondContact O-N 2.92Å; I275-A277 VanDerWaalsContact C-N 3.33Å; I275-A277 PolarHBondContact O-N 3.27Å; I275-L278 HydrophobicContact CD1-CD1 4.07Å; I275-L278 PolarHBondContact O-N 3.07Å; I275-H279 WeakPolarHBondContact O-CB 3.14Å; I275-H279 PolarHBondContact O-N 2.94Å; I275-L298 HydrophobicContact CD1-CD1 3.38Å; I275-L298 HydrophobicContact CD1-CG 4Å; I275-L298 HydrophobicContact CG1-CD1 4.04Å; I275-A301 HydrophobicContact CG1-CB 3.94Å; I275-V302 HydrophobicContact CD1-CG2 3.56Å; I275-V302 HydrophobicContact CG1-CG2 4.03Å; I275-V302 HydrophobicContact CG2-CG2 4.4Å; I275-L305 HydrophobicContact CB-CD1 3.77Å; I275-L305 HydrophobicContact CG2-CD1 3.56Å; I275-L307 HydrophobicContact CG2-CD1 3.71Å; I275-F311 HydrophobicContact CG2-CE2 4.21Å; I275-W313 HydrophobicContact CD1-CH2 4.24Å
276	M	93.8	Very high	90.7	Very high	94 Å²	94	61.9 Å²	61.9	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-36.4	173.7	-71.5	-174.1	-167.6	0	0	112.7	L272 K273 L274 H279 K280 L305	L272-M276 WeakPolarHBondContact O-CG 3.42Å; L272-M276 PolarHBondContact O-N 3.42Å; K273-M276 PolarHBondContact O-N 3.36Å; L274-M276 VanDerWaalsContact C-N 3.31Å; L274-M276 PolarHBondContact O-N 3.06Å; M276-H279 PolarHBondContact O-N 3.31Å; M276-K280 WeakPolarHBondContact O-CG 3.33Å; M276-K280 PolarHBondContact O-N 3.47Å; M276-L305 HydrophobicContact CE-CD1 4.39Å; M276-L305 HydrophobicContact CE-CD2 3.51Å; M276-L305 HydrophobicContact CG-CD1 3.94Å
277	A	92	Very high	91.2	Very high	26 Å²	26	59.9 Å²	59.9	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-46.3	173.9	0	0	0	0	0	110.9	I258 K273 L274 I275 H279 K280	I258-A277 HydrophobicContact CD1-CB 4.45Å; K273-A277 PolarHBondContact O-N 3.37Å; L274-A277 WeakPolarHBondContact O-CB 3.21Å; L274-A277 PolarHBondContact O-N 3.29Å; L274-A277 VanDerWaalsContact O-N 3.12Å; I275-A277 VanDerWaalsContact C-N 3.33Å; I275-A277 PolarHBondContact O-N 3.27Å; A277-H279 VanDerWaalsContact C-N 3.29Å; A277-H279 PolarHBondContact O-N 3.47Å; A277-K280 PolarHBondContact O-N 2.82Å
278	L	92.2	Very high	91.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-38.5	173.5	-67.6	179.7	0	0	0	112.6	A229 L231 I258 L274 I275 K280 E281 V286 F311	A229-L278 HydrophobicContact CB-CD2 3.64Å; L231-L278 HydrophobicContact CD1-CD1 4.14Å; L231-L278 HydrophobicContact CD2-CD1 4.16Å; L231-L278 HydrophobicContact CD2-CD2 4.11Å; L231-L278 HydrophobicContact CD2-CG 4.49Å; I258-L278 HydrophobicContact CG2-CD2 3.76Å; L274-L278 HydrophobicContact CD2-CD1 3.77Å; L274-L278 HydrophobicContact CD2-CG 4.16Å; L274-L278 PolarHBondContact O-N 3.47Å; I275-L278 HydrophobicContact CD1-CD1 4.07Å; I275-L278 PolarHBondContact O-N 3.07Å; L278-K280 VanDerWaalsContact C-N 3.28Å; L278-K280 PolarHBondContact O-N 3.19Å; L278-E281 WeakPolarHBondContact O-CB 3.08Å; L278-E281 PolarHBondContact O-N 3.37Å; L278-E281 VanDerWaalsContact O-N 3.15Å; L278-V286 HydrophobicContact CD1-CG1 4.38Å; L278-F311 HydrophobicContact CB-CE1 3.89Å; L278-F311 HydrophobicContact CB-CZ 3.88Å
279	H	91.6	Very high	91.8	Very high	89 Å²	89	49.4 Å²	49.4	41%	0.412	23%	0.23	S	C	.	.	H	α-helix	trans	-65.9	-30.8	-179	-174.4	61.7	0	0	0	113.1	I275 M276 A277 E281 L307 F311	I275-H279 WeakPolarHBondContact O-CB 3.14Å; I275-H279 PolarHBondContact O-N 2.94Å; M276-H279 PolarHBondContact O-N 3.31Å; A277-H279 VanDerWaalsContact C-N 3.29Å; A277-H279 PolarHBondContact O-N 3.47Å; H279-E281 PolarHBondContact O-N 3.23Å; H279-L307 HydrophobicContact CB-CD1 3.92Å; H279-F311 HydrophobicContact CB-CZ 4.21Å
280	K	89.8	Confident	91.8	Very high	177 Å²	177	44.4 Å²	44.4	77%	0.77	21%	0.206	S	C	*	.	H	α-helix	trans	-69.6	-23.7	175.5	-70.5	172.6	-177.9	177.7	0	112.5	M276 A277 L278	M276-K280 WeakPolarHBondContact O-CG 3.33Å; M276-K280 PolarHBondContact O-N 3.47Å; A277-K280 PolarHBondContact O-N 2.82Å; L278-K280 VanDerWaalsContact C-N 3.28Å; L278-K280 PolarHBondContact O-N 3.19Å
281	E	86.2	Confident	91.5	Very high	60 Å²	60	43.2 Å²	43.2	28%	0.28	20%	0.199	S	C	.	.	S	Bend	trans	-77.4	150.4	177.7	-67.2	-57.2	141.7	0	0	112.3	I258 L278 H279 S283 R310	I258-E281 HydrophobicContact CB-CG 4.05Å; I258-E281 HydrophobicContact CD1-CG 4.39Å; I258-E281 HydrophobicContact CG2-CG 3.89Å; L278-E281 WeakPolarHBondContact O-CB 3.08Å; L278-E281 PolarHBondContact O-N 3.37Å; L278-E281 VanDerWaalsContact O-N 3.15Å; H279-E281 PolarHBondContact O-N 3.23Å; E281-S283 PolarHBondContact O-N 3.32Å; E281-R310 PolarHBondContact O-NH2 2.84Å
282	R	80.4	Confident	91.1	Very high	216 Å²	216	43.5 Å²	43.5	82%	0.815	20%	0.201	S	C	*	.	S	Bend	trans	-75.4	-13.8	175	-70.7	-174.3	177.7	-176.5	0	113.3	F227	F227-R282 HydrophobicContact CE1-CB 4.46Å
283	S	79.3	Confident	90.6	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.021	20%	0.196	C	C	.	.			trans	-63.7	141.9	179.7	46.9	0	0	0	0	110.9	S257 E281 R310	S257-S283 WeakPolarHBondContact OG-CB 3.37Å; S257-S283 PolarHBondContact OG-OG 3.44Å; E281-S283 PolarHBondContact O-N 3.32Å; S283-R310 PolarHBondContact O-NH1 3.29Å; S283-R310 PolarHBondContact O-NH2 2.92Å; S283-R310 VanDerWaalsContact O-NH2 3.11Å
284	V	85.3	Confident	90.3	Very high	62 Å²	62	37.4 Å²	37.4	38%	0.376	18%	0.175	S	C	.	.			trans	-108	-40.5	173.9	-179.9	0	0	0	0	109.6	F311 A312	V284-F311 WeakPolarHBondContact O-CA 3.28Å; V284-A312 HydrophobicContact CG1-CB 4.42Å; V284-A312 PolarHBondContact O-N 3.18Å
285	G	91.4	Very high	90.2	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.9	174.4	0	0	0	0	0	112	V228 A229 A312	V228-G285 CarbonylContact C-O 3.52Å; V228-G285 WeakPolarHBondContact CA-O 3.32Å; A229-G285 PolarHBondContact N-O 2.91Å; G285-A312 CarbonylContact C-O 3.43Å; G285-A312 WeakPolarHBondContact CA-O 3.25Å
286	V	95.4	Very high	89.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.2	176.8	-172.1	0	0	0	0	109.1	A229 L231 L278 T288 F311 A312 W313 L314	A229-V286 HydrophobicContact CB-CG1 4.35Å; A229-V286 HydrophobicContact CB-CG2 4.32Å; A229-V286 WeakPolarHBondContact O-CA 3.47Å; L231-V286 HydrophobicContact CD1-CG1 4Å; L231-V286 HydrophobicContact CG-CG1 3.88Å; L278-V286 HydrophobicContact CD1-CG1 4.38Å; V286-T288 HydrophobicContact CG1-CG2 4.14Å; V286-F311 HydrophobicContact CG2-CB 4.03Å; V286-F311 HydrophobicContact CG2-CD1 3.84Å; V286-F311 HydrophobicContact CG2-CG 4.19Å; V286-A312 PolarHBondContact N-O 2.93Å; V286-W313 HydrophobicContact CB-CE3 3.78Å; V286-W313 HydrophobicContact CB-CZ3 3.82Å; V286-W313 HydrophobicContact CG1-CE3 3.89Å; V286-W313 HydrophobicContact CG1-CH2 4.39Å; V286-W313 HydrophobicContact CG1-CZ3 3.52Å; V286-W313 HydrophobicContact CG2-CZ3 4.33Å; V286-L314 PolarHBondContact O-N 3.38Å
287	V	96.4	Very high	89.8	Confident	0 Å²	0	38 Å²	38	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.8	177.2	-176.5	0	0	0	0	108.7	M216 V220 V228 A229 V230 L231 F245 F289 L314	M216-V287 HydrophobicContact CE-CG1 3.56Å; V220-V287 HydrophobicContact CG2-CG2 3.98Å; V228-V287 HydrophobicContact CB-CG2 4.24Å; V228-V287 HydrophobicContact CG2-CG2 4.22Å; A229-V287 PolarHBondContact O-N 3.35Å; V230-V287 CarbonylContact C-O 3.6Å; V230-V287 VanDerWaalsContact CA-O 3.3Å; V230-V287 WeakPolarHBondContact CA-O 3.38Å; V230-V287 HydrophobicContact CG1-CB 4.42Å; V230-V287 HydrophobicContact CG2-CB 4.22Å; L231-V287 PolarHBondContact N-O 2.88Å; F245-V287 HydrophobicContact CE1-CG1 4.47Å; F245-V287 HydrophobicContact CE1-CG2 4.37Å; F245-V287 HydrophobicContact CE2-CG1 4.2Å; F245-V287 HydrophobicContact CZ-CB 4.48Å; F245-V287 HydrophobicContact CZ-CG1 4.18Å; F245-V287 HydrophobicContact CZ-CG2 3.9Å; V287-F289 HydrophobicContact CG1-CD2 4.45Å; V287-F289 HydrophobicContact CG1-CE2 3.82Å; V287-F289 HydrophobicContact CG1-CZ 4.29Å; V287-L314 CarbonylContact C-O 3.57Å; V287-L314 WeakPolarHBondContact CA-O 3.38Å; V287-L314 HydrophobicContact CG2-CD2 4.32Å
288	T	95.8	Very high	89.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.9	-174.5	74.4	0	0	0	0	112.3	L231 V286 I295 W313 L314 G315 S316	L231-T288 HydrophobicContact CB-CG2 4.28Å; L231-T288 HydrophobicContact CD1-CG2 4.16Å; L231-T288 HydrophobicContact CG-CG2 4.46Å; L231-T288 CarbonylContact O-C 3.33Å; L231-T288 WeakPolarHBondContact O-CA 3.48Å; V286-T288 HydrophobicContact CG1-CG2 4.14Å; T288-I295 HydrophobicContact CG2-CD1 4.31Å; T288-W313 HydrophobicContact CG2-CE3 3.76Å; T288-W313 HydrophobicContact CG2-CZ3 3.98Å; T288-L314 PolarHBondContact N-O 3.24Å; T288-G315 WeakPolarHBondContact OG1-CA 3.34Å; T288-S316 PolarHBondContact O-N 2.97Å; T288-S316 PolarHBondContact O-OG 3.38Å
289	F	95.1	Very high	89.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	59.6	167.9	-62.5	-81	0	0	0	109.7	M216 V230 L231 A232 D233 A241 F245 V287	M216-F289 HydrophobicContact CE-CE1 4.2Å; M216-F289 HydrophobicContact CE-CZ 4.18Å; M216-F289 HydrophobicContact SD-CD1 4.13Å; M216-F289 HydrophobicContact SD-CE1 3.29Å; M216-F289 WeakPolarHBondContact SD-CE1 3.26Å; M216-F289 HydrophobicContact SD-CZ 3.54Å; M216-F289 VanDerWaalsContact SD-CZ 3.54Å; V230-F289 HydrophobicContact CG1-CD2 4.07Å; V230-F289 HydrophobicContact CG1-CE2 4.24Å; L231-F289 PolarHBondContact O-N 2.92Å; A232-F289 HydrophobicContact CB-CB 4.15Å; D233-F289 PolarHBondContact N-O 3.29Å; A241-F289 HydrophobicContact CB-CB 4.31Å; A241-F289 HydrophobicContact CB-CD1 3.46Å; A241-F289 VanDerWaalsContact CB-CD1 3.46Å; A241-F289 HydrophobicContact CB-CE1 3.8Å; A241-F289 HydrophobicContact CB-CG 3.86Å; A241-F289 HydrophobicContact CB-CZ 4.46Å; F245-F289 HydrophobicContact CB-CE2 3.86Å; F245-F289 HydrophobicContact CB-CZ 3.83Å; F245-F289 HydrophobicContact CD2-CE2 4.43Å; F245-F289 HydrophobicContact CD2-CZ 4.17Å; F245-F289 HydrophobicContact CG-CE2 4.05Å; F245-F289 HydrophobicContact CG-CZ 4.12Å; V287-F289 HydrophobicContact CG1-CD2 4.45Å; V287-F289 HydrophobicContact CG1-CE2 3.82Å; V287-F289 HydrophobicContact CG1-CZ 4.29Å
290	C	92.4	Very high	89.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.014	16%	0.159	C	C	.	.			trans	-121.9	151.6	-174.7	-66	0	0	0	0	111.3	D233 N294 I295	D233-C290 WeakPolarHBondContact OD1-CB 3.43Å; D233-C290 PolarHBondContact OD1-SG 2.96Å; D233-C290 WeakPolarHBondContact OD2-CA 3.49Å; C290-N294 HydrophobicContact CB-CB 4.46Å; C290-I295 HydrophobicContact CB-CD1 3.82Å; C290-I295 HydrophobicContact CB-CG1 4.1Å
291	H	88.4	Confident	90.2	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.06	12%	0.123	C	C	.	.			trans	-70.7	155.5	173	-63.7	90	0	0	0	111.1	H115 D233 Y237 D293 N294 I295 N318	H115-H291 AromaticContact CE1-CD2 3.49Å; H115-H291 PolarHBondContact CE1-CD2 2.93Å; H115-H291 VanDerWaalsContact CE1-CD2 3.49Å; H115-H291 AromaticContact CE1-NE2 3.76Å; H115-H291 AromaticContact NE2-CD2 3.28Å; H115-H291 PolarHBondContact NE2-CD2 3.05Å; H115-H291 VanDerWaalsContact NE2-CD2 3.28Å; H115-H291 AromaticContact NE2-CG 3.75Å; H115-H291 AromaticContact NE2-NE2 3.65Å; D233-H291 WeakPolarHBondContact OD2-CB 3.43Å; D233-H291 IonicContact OD2-CE1 3.62Å; D233-H291 IonicContact OD2-CG 2.64Å; D233-H291 PolarHBondContact OD2-N 3.34Å; D233-H291 IonicContact OD2-ND1 3.63Å; D233-H291 PolarHBondContact OD2-ND1 3.38Å; Y237-H291 AromaticContact CD1-CE1 3.87Å; H291-D293 PolarHBondContact O-N 3.26Å; H291-D293 VanDerWaalsContact O-N 3.14Å; H291-N294 PolarHBondContact O-N 2.82Å; H291-N294 VanDerWaalsContact O-N 3.14Å; H291-I295 WeakPolarHBondContact O-CG1 3.43Å; H291-I295 PolarHBondContact O-N 3.45Å; H291-N318 PolarHBondContact CD2-ND2 2.71Å; H291-N318 PolarHBondContact NE2-ND2 3.46Å
292	E	86.9	Confident	90.5	Very high	9 Å²	9	25 Å²	25	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-54.5	-35.3	-176.8	78.6	-159	142	0	0	113.5	K76 K79 I295 R296 K322 A325	K76-E292 IonicContact NZ-OE1 2.79Å; K76-E292 PolarHBondContact NZ-OE1 2.91Å; K79-E292 WeakPolarHBondContact CD-OE1 3.1Å; K79-E292 WeakPolarHBondContact CE-OE1 3.13Å; K79-E292 WeakPolarHBondContact CE-OE2 3.07Å; K79-E292 IonicContact NZ-OE1 3.98Å; K79-E292 PolarHBondContact NZ-OE1 3.22Å; K79-E292 IonicContact NZ-OE2 3.11Å; K79-E292 PolarHBondContact NZ-OE2 3.39Å; K79-E292 VanDerWaalsContact NZ-OE2 3.15Å; E292-I295 PolarHBondContact O-N 2.91Å; E292-R296 WeakPolarHBondContact O-CB 3.14Å; E292-R296 PolarHBondContact O-N 3.47Å; E292-K322 WeakPolarHBondContact OE2-CD 3.41Å; E292-A325 HydrophobicContact CB-CB 4.35Å
293	D	84.6	Confident	91.1	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.043	9%	0.085	C	C	.	.	H	α-helix	trans	-68.6	-40	-176.7	-58.1	-47.2	0	0	0	110.9	K76 H291 K297	K76-D293 IonicContact NZ-OD1 3.55Å; K76-D293 IonicContact NZ-OD2 3.2Å; K76-D293 PolarHBondContact NZ-OD2 2.86Å; H291-D293 PolarHBondContact O-N 3.26Å; H291-D293 VanDerWaalsContact O-N 3.14Å; D293-K297 WeakPolarHBondContact O-CG 3.4Å; D293-K297 PolarHBondContact O-N 2.87Å
294	N	89.8	Confident	91.9	Very high	17 Å²	17	22.1 Å²	22.1	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-72.4	-37.7	174.9	-72.5	-18.1	0	0	0	111.6	D233 V262 F271 C290 H291 R296 K297 L298	D233-N294 PolarHBondContact OD1-ND2 3.23Å; D233-N294 PolarHBondContact OD2-ND2 2.92Å; V262-N294 HydrophobicContact CG1-CB 4.19Å; F271-N294 HydrophobicContact CE1-CB 4.4Å; F271-N294 HydrophobicContact CZ-CB 4.24Å; C290-N294 HydrophobicContact CB-CB 4.46Å; H291-N294 PolarHBondContact O-N 2.82Å; H291-N294 VanDerWaalsContact O-N 3.14Å; N294-R296 VanDerWaalsContact C-N 3.34Å; N294-R296 PolarHBondContact O-N 3.02Å; N294-K297 PolarHBondContact O-N 3.42Å; N294-L298 VanDerWaalsContact O-CB 3.26Å; N294-L298 WeakPolarHBondContact O-CB 3.48Å; N294-L298 PolarHBondContact O-N 3.14Å
295	I	91.7	Very high	92.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-43.7	173.6	-65.7	-62.5	0	0	0	110.8	T288 C290 H291 E292 K297 L298 M299 W319 A325	T288-I295 HydrophobicContact CG2-CD1 4.31Å; C290-I295 HydrophobicContact CB-CD1 3.82Å; C290-I295 HydrophobicContact CB-CG1 4.1Å; H291-I295 WeakPolarHBondContact O-CG1 3.43Å; H291-I295 PolarHBondContact O-N 3.45Å; E292-I295 PolarHBondContact O-N 2.91Å; I295-K297 VanDerWaalsContact C-N 3.35Å; I295-K297 PolarHBondContact O-N 3.08Å; I295-L298 HydrophobicContact CD1-CD2 4.28Å; I295-L298 WeakPolarHBondContact O-CB 3.29Å; I295-L298 PolarHBondContact O-N 2.94Å; I295-M299 HydrophobicContact CG2-CE 4Å; I295-M299 HydrophobicContact CG2-CG 4.25Å; I295-M299 VanDerWaalsContact O-CG 3.31Å; I295-M299 WeakPolarHBondContact O-CG 3.5Å; I295-M299 PolarHBondContact O-N 3.03Å; I295-W319 HydrophobicContact CD1-CE3 3.9Å; I295-W319 HydrophobicContact CD1-CZ3 4.25Å; I295-W319 HydrophobicContact CG1-CD2 4.47Å; I295-W319 HydrophobicContact CG1-CE3 4.17Å; I295-W319 HydrophobicContact CG2-CD2 3.85Å; I295-W319 HydrophobicContact CG2-CE3 3.88Å; I295-W319 HydrophobicContact CG2-CG 4.43Å; I295-W319 HydrophobicContact CG2-CH2 4.29Å; I295-W319 HydrophobicContact CG2-CZ2 4.22Å; I295-W319 HydrophobicContact CG2-CZ3 4.09Å; I295-A325 HydrophobicContact CG2-CB 4.09Å
296	R	89.6	Confident	92.4	Very high	54 Å²	54	30.1 Å²	30.1	20%	0.204	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-45.6	177.1	177.9	173.6	58.3	113.8	-12.4	112	E63 E292 N294 M299 K300	E63-R296 IonicContact OE1-NH2 2.75Å; E63-R296 IonicContact OE2-NH2 3.54Å; E63-R296 PolarHBondContact OE2-NH2 3.3Å; E292-R296 WeakPolarHBondContact O-CB 3.14Å; E292-R296 PolarHBondContact O-N 3.47Å; N294-R296 VanDerWaalsContact C-N 3.34Å; N294-R296 PolarHBondContact O-N 3.02Å; R296-M299 PolarHBondContact O-N 2.8Å; R296-K300 PolarHBondContact O-N 3.43Å; R296-K300 VanDerWaalsContact O-N 3.13Å
297	K	90.6	Very high	92.3	Very high	57 Å²	57	31.4 Å²	31.4	25%	0.248	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-37.8	176.3	-66.3	173.5	-173	170.4	0	112	F271 D293 N294 I295 K300 A301	F271-K297 HydrophobicContact CD1-CB 4.29Å; F271-K297 HydrophobicContact CD2-CB 3.8Å; F271-K297 HydrophobicContact CD2-CD 4.32Å; F271-K297 HydrophobicContact CE1-CB 4.07Å; F271-K297 HydrophobicContact CE2-CB 3.57Å; F271-K297 HydrophobicContact CE2-CD 3.52Å; F271-K297 HydrophobicContact CE2-CG 4.17Å; F271-K297 HydrophobicContact CG-CB 4.17Å; F271-K297 HydrophobicContact CZ-CB 3.72Å; F271-K297 HydrophobicContact CZ-CD 3.96Å; F271-K297 HydrophobicContact CZ-CG 4.49Å; D293-K297 WeakPolarHBondContact O-CG 3.4Å; D293-K297 PolarHBondContact O-N 2.87Å; N294-K297 PolarHBondContact O-N 3.42Å; I295-K297 VanDerWaalsContact C-N 3.35Å; I295-K297 PolarHBondContact O-N 3.08Å; K297-K300 WeakPolarHBondContact O-CB 3.29Å; K297-K300 PolarHBondContact O-N 3.09Å; K297-A301 PolarHBondContact O-N 3.42Å; K297-A301 VanDerWaalsContact O-N 3.08Å
298	L	93.1	Very high	91.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-46.8	175.1	-172.2	72.8	0	0	0	111.7	L231 F271 L274 I275 N294 I295 K300 A301 V302 W313	L231-L298 HydrophobicContact CD1-CD1 4.1Å; L231-L298 HydrophobicContact CD1-CD2 3.55Å; L231-L298 HydrophobicContact CD1-CG 4.49Å; F271-L298 HydrophobicContact CD1-CB 4.24Å; F271-L298 HydrophobicContact CD1-CD1 4.14Å; F271-L298 HydrophobicContact CE1-CB 4.42Å; L274-L298 HydrophobicContact CD2-CD1 3.64Å; I275-L298 HydrophobicContact CD1-CD1 3.38Å; I275-L298 HydrophobicContact CD1-CG 4Å; I275-L298 HydrophobicContact CG1-CD1 4.04Å; N294-L298 VanDerWaalsContact O-CB 3.26Å; N294-L298 WeakPolarHBondContact O-CB 3.48Å; N294-L298 PolarHBondContact O-N 3.14Å; I295-L298 HydrophobicContact CD1-CD2 4.28Å; I295-L298 WeakPolarHBondContact O-CB 3.29Å; I295-L298 PolarHBondContact O-N 2.94Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 3.31Å; L298-A301 PolarHBondContact O-N 3.42Å; L298-V302 WeakPolarHBondContact O-CG2 3.11Å; L298-V302 PolarHBondContact O-N 3.44Å; L298-W313 HydrophobicContact CD2-CE3 4.44Å; L298-W313 HydrophobicContact CD2-CH2 3.68Å; L298-W313 HydrophobicContact CD2-CZ3 3.53Å; L298-W313 HydrophobicContact CG-CH2 4.11Å; L298-W313 HydrophobicContact CG-CZ3 4.45Å
299	M	93.2	Very high	91.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-38.1	177.8	-64.7	-58.3	147.4	0	0	111.8	I295 R296 A301 V302 V303 W313 W319 H329 A332	I295-M299 HydrophobicContact CG2-CE 4Å; I295-M299 HydrophobicContact CG2-CG 4.25Å; I295-M299 VanDerWaalsContact O-CG 3.31Å; I295-M299 WeakPolarHBondContact O-CG 3.5Å; I295-M299 PolarHBondContact O-N 3.03Å; R296-M299 PolarHBondContact O-N 2.8Å; M299-A301 PolarHBondContact O-N 3Å; M299-V302 PolarHBondContact O-N 3.48Å; M299-V303 PolarHBondContact O-N 2.64Å; M299-W313 HydrophobicContact CE-CD2 3.8Å; M299-W313 HydrophobicContact CE-CE3 4.18Å; M299-W313 HydrophobicContact CE-CG 4.14Å; M299-W313 HydrophobicContact CE-CZ2 4.22Å; M299-W319 HydrophobicContact CE-CH2 3.28Å; M299-W319 HydrophobicContact CE-CZ2 4.06Å; M299-W319 HydrophobicContact CE-CZ3 3.72Å; M299-H329 HydrophobicContact CB-CB 4.11Å; M299-A332 HydrophobicContact CB-CB 4.2Å; M299-A332 HydrophobicContact SD-CB 3.9Å
300	K	93.1	Very high	91.1	Very high	74 Å²	74	41.1 Å²	41.1	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-56.5	-49.3	171.6	-178.5	-173.7	173.1	-171.1	0	111.2	D268 R296 K297 L298 V302 V303 E304	D268-K300 IonicContact OD2-NZ 2.96Å; D268-K300 PolarHBondContact OD2-NZ 3.35Å; R296-K300 PolarHBondContact O-N 3.43Å; R296-K300 VanDerWaalsContact O-N 3.13Å; K297-K300 WeakPolarHBondContact O-CB 3.29Å; K297-K300 PolarHBondContact O-N 3.09Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 3.31Å; K300-V302 VanDerWaalsContact C-N 3.33Å; K300-V302 PolarHBondContact O-N 3.18Å; K300-V303 PolarHBondContact O-N 3.17Å; K300-E304 WeakPolarHBondContact O-CB 3.33Å; K300-E304 PolarHBondContact O-N 3.13Å
301	A	94.3	Very high	91.1	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-35.6	179.6	0	0	0	0	0	113.3	F271 L272 I275 K297 L298 M299 E304 L305	F271-A301 HydrophobicContact CB-CB 3.86Å; L272-A301 HydrophobicContact CD2-CB 3.93Å; L272-A301 HydrophobicContact CG-CB 4.48Å; I275-A301 HydrophobicContact CG1-CB 3.94Å; K297-A301 PolarHBondContact O-N 3.42Å; K297-A301 VanDerWaalsContact O-N 3.08Å; L298-A301 PolarHBondContact O-N 3.42Å; M299-A301 PolarHBondContact O-N 3Å; A301-E304 PolarHBondContact O-N 3.38Å; A301-L305 WeakPolarHBondContact O-CB 3.33Å; A301-L305 WeakPolarHBondContact O-CG 3.44Å; A301-L305 PolarHBondContact O-N 2.88Å
302	V	94.2	Very high	91.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-43.6	175.2	173.6	0	0	0	0	111.5	I275 L298 M299 K300 K306 L307 W313 A332	I275-V302 HydrophobicContact CD1-CG2 3.56Å; I275-V302 HydrophobicContact CG1-CG2 4.03Å; I275-V302 HydrophobicContact CG2-CG2 4.4Å; L298-V302 WeakPolarHBondContact O-CG2 3.11Å; L298-V302 PolarHBondContact O-N 3.44Å; M299-V302 PolarHBondContact O-N 3.48Å; K300-V302 VanDerWaalsContact C-N 3.33Å; K300-V302 PolarHBondContact O-N 3.18Å; V302-K306 PolarHBondContact O-N 3.4Å; V302-L307 HydrophobicContact CG1-CB 4.37Å; V302-L307 PolarHBondContact O-N 2.95Å; V302-W313 HydrophobicContact CG2-CH2 4.39Å; V302-W313 HydrophobicContact CG2-CZ2 3.81Å; V302-A332 HydrophobicContact CB-CB 4.15Å; V302-A332 HydrophobicContact CG1-CB 3.97Å
303	V	93.3	Very high	91.5	Very high	49 Å²	49	41.6 Å²	41.6	30%	0.297	22%	0.219	S	C	.	.	H	α-helix	trans	-67	-44.7	177.5	176.2	0	0	0	0	110.8	M299 K300 L305 K306 T308 H329 A332	M299-V303 PolarHBondContact O-N 2.64Å; K300-V303 PolarHBondContact O-N 3.17Å; V303-L305 VanDerWaalsContact C-N 3.27Å; V303-L305 PolarHBondContact O-N 3.42Å; V303-K306 PolarHBondContact O-N 3.42Å; V303-T308 HydrophobicContact CG2-CG2 4.32Å; V303-H329 HydrophobicContact CG2-CB 3.9Å; V303-A332 HydrophobicContact CG2-CB 3.78Å
304	E	94.6	Very high	92	Very high	109 Å²	109	41.2 Å²	41.2	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-59.8	-38.3	-179.9	-169.6	173	155.1	0	0	112.1	L272 K300 A301 K306	L272-E304 HydrophobicContact CD2-CB 4.06Å; L272-E304 HydrophobicContact CD2-CG 4.11Å; K300-E304 WeakPolarHBondContact O-CB 3.33Å; K300-E304 PolarHBondContact O-N 3.13Å; A301-E304 PolarHBondContact O-N 3.38Å; E304-K306 VanDerWaalsContact C-N 3.28Å; E304-K306 PolarHBondContact O-N 3.42Å
305	L	94.8	Very high	92.2	Very high	46 Å²	46	40.4 Å²	40.4	24%	0.241	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	1.8	175.7	-65.9	174.3	0	0	0	114.4	L272 I275 M276 A301 V303 L307	L272-L305 HydrophobicContact CB-CD1 4.47Å; L272-L305 HydrophobicContact CD2-CD1 4Å; L272-L305 HydrophobicContact CD2-CD2 4.07Å; L272-L305 HydrophobicContact CD2-CG 3.71Å; I275-L305 HydrophobicContact CB-CD1 3.77Å; I275-L305 HydrophobicContact CG2-CD1 3.56Å; M276-L305 HydrophobicContact CE-CD1 4.39Å; M276-L305 HydrophobicContact CE-CD2 3.51Å; M276-L305 HydrophobicContact CG-CD1 3.94Å; A301-L305 WeakPolarHBondContact O-CB 3.33Å; A301-L305 WeakPolarHBondContact O-CG 3.44Å; A301-L305 PolarHBondContact O-N 2.88Å; V303-L305 VanDerWaalsContact C-N 3.27Å; V303-L305 PolarHBondContact O-N 3.42Å; L305-L307 HydrophobicContact CB-CD1 4.03Å; L305-L307 HydrophobicContact CB-CG 4.1Å; L305-L307 PolarHBondContact O-N 2.75Å
306	K	93.9	Very high	92.3	Very high	185 Å²	185	40.4 Å²	40.4	80%	0.804	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	37.2	-177.7	-56.9	177.6	179.7	177.5	0	113.1	V302 V303 E304	V302-K306 PolarHBondContact O-N 3.4Å; V303-K306 PolarHBondContact O-N 3.42Å; E304-K306 VanDerWaalsContact C-N 3.28Å; E304-K306 PolarHBondContact O-N 3.42Å
307	L	92	Very high	92.3	Very high	29 Å²	29	38 Å²	38	15%	0.152	20%	0.203	C	C	.	.			trans	-103.9	21.6	179.2	-66.2	176.1	0	0	0	112.5	I275 H279 V302 L305 G309 R310 F311	I275-L307 HydrophobicContact CG2-CD1 3.71Å; H279-L307 HydrophobicContact CB-CD1 3.92Å; V302-L307 HydrophobicContact CG1-CB 4.37Å; V302-L307 PolarHBondContact O-N 2.95Å; L305-L307 HydrophobicContact CB-CD1 4.03Å; L305-L307 HydrophobicContact CB-CG 4.1Å; L305-L307 PolarHBondContact O-N 2.75Å; L307-G309 PolarHBondContact O-N 3.42Å; L307-R310 HydrophobicContact CB-CB 4.3Å; L307-R310 VanDerWaalsContact O-CB 3.23Å; L307-R310 WeakPolarHBondContact O-CB 3Å; L307-R310 PolarHBondContact O-N 3.2Å; L307-R310 VanDerWaalsContact O-N 3.1Å; L307-F311 HydrophobicContact CB-CE2 4.28Å; L307-F311 HydrophobicContact CD1-CE2 4.35Å
308	T	87.6	Confident	92.2	Very high	65 Å²	65	36 Å²	36	40%	0.399	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	129.6	173.7	5.2	0	0	0	0	110.9	V303 R310 A332	V303-T308 HydrophobicContact CG2-CG2 4.32Å; T308-R310 VanDerWaalsContact C-N 3.29Å; T308-R310 PolarHBondContact O-N 3.45Å; T308-A332 HydrophobicContact CG2-CB 4.05Å
309	G	85.1	Confident	92	Very high	75 Å²	75	35.9 Å²	35.9	77%	0.773	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-4	-177.1	0	0	0	0	0	115.8	L307	L307-G309 PolarHBondContact O-N 3.42Å
310	R	89.4	Confident	91.5	Very high	63 Å²	63	35.9 Å²	35.9	24%	0.238	20%	0.195	C	C	.	.	S	Bend	trans	-72.3	-32.9	176.4	173.7	57.8	-173.5	80.1	4	113.1	E281 S283 L307 T308	E281-R310 PolarHBondContact O-NH2 2.84Å; S283-R310 PolarHBondContact O-NH1 3.29Å; S283-R310 PolarHBondContact O-NH2 2.92Å; S283-R310 VanDerWaalsContact O-NH2 3.11Å; L307-R310 HydrophobicContact CB-CB 4.3Å; L307-R310 VanDerWaalsContact O-CB 3.23Å; L307-R310 WeakPolarHBondContact O-CB 3Å; L307-R310 PolarHBondContact O-N 3.2Å; L307-R310 VanDerWaalsContact O-N 3.1Å; T308-R310 VanDerWaalsContact C-N 3.29Å; T308-R310 PolarHBondContact O-N 3.45Å
311	F	91.8	Very high	91.2	Very high	13 Å²	13	34 Å²	34	6%	0.057	19%	0.19	C	C	.	.			trans	-115.8	141	-172.9	-54.8	-70.6	0	0	0	110.6	I275 L278 H279 V284 V286 L307 W313	I275-F311 HydrophobicContact CG2-CE2 4.21Å; L278-F311 HydrophobicContact CB-CE1 3.89Å; L278-F311 HydrophobicContact CB-CZ 3.88Å; H279-F311 HydrophobicContact CB-CZ 4.21Å; V284-F311 WeakPolarHBondContact O-CA 3.28Å; V286-F311 HydrophobicContact CG2-CB 4.03Å; V286-F311 HydrophobicContact CG2-CD1 3.84Å; V286-F311 HydrophobicContact CG2-CG 4.19Å; L307-F311 HydrophobicContact CB-CE2 4.28Å; L307-F311 HydrophobicContact CD1-CE2 4.35Å; F311-W313 HydrophobicContact CB-CZ2 3.87Å; F311-W313 HydrophobicContact CD2-CZ2 4.05Å; F311-W313 HydrophobicContact CG-CZ2 4.23Å
312	A	91.6	Very high	90.7	Very high	18 Å²	18	34.2 Å²	34.2	15%	0.149	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.3	168.7	0	0	0	0	0	108.6	W225 V284 G285 V286	W225-A312 HydrophobicContact CH2-CB 3.71Å; W225-A312 HydrophobicContact CZ2-CB 3.51Å; V284-A312 HydrophobicContact CG1-CB 4.42Å; V284-A312 PolarHBondContact O-N 3.18Å; G285-A312 CarbonylContact C-O 3.43Å; G285-A312 WeakPolarHBondContact CA-O 3.25Å; V286-A312 PolarHBondContact N-O 2.93Å
313	W	93.5	Very high	90	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.7	-171.2	-59.1	98.5	0	0	0	111.9	L231 I275 V286 T288 L298 M299 V302 F311 W319 A332 A336 I337	L231-W313 HydrophobicContact CD1-CZ3 4.05Å; I275-W313 HydrophobicContact CD1-CH2 4.24Å; V286-W313 HydrophobicContact CB-CE3 3.78Å; V286-W313 HydrophobicContact CB-CZ3 3.82Å; V286-W313 HydrophobicContact CG1-CE3 3.89Å; V286-W313 HydrophobicContact CG1-CH2 4.39Å; V286-W313 HydrophobicContact CG1-CZ3 3.52Å; V286-W313 HydrophobicContact CG2-CZ3 4.33Å; T288-W313 HydrophobicContact CG2-CE3 3.76Å; T288-W313 HydrophobicContact CG2-CZ3 3.98Å; L298-W313 HydrophobicContact CD2-CE3 4.44Å; L298-W313 HydrophobicContact CD2-CH2 3.68Å; L298-W313 HydrophobicContact CD2-CZ3 3.53Å; L298-W313 HydrophobicContact CG-CH2 4.11Å; L298-W313 HydrophobicContact CG-CZ3 4.45Å; M299-W313 HydrophobicContact CE-CD2 3.8Å; M299-W313 HydrophobicContact CE-CE3 4.18Å; M299-W313 HydrophobicContact CE-CG 4.14Å; M299-W313 HydrophobicContact CE-CZ2 4.22Å; V302-W313 HydrophobicContact CG2-CH2 4.39Å; V302-W313 HydrophobicContact CG2-CZ2 3.81Å; F311-W313 HydrophobicContact CB-CZ2 3.87Å; F311-W313 HydrophobicContact CD2-CZ2 4.05Å; F311-W313 HydrophobicContact CG-CZ2 4.23Å; W313-W319 HydrophobicContact CB-CH2 3.76Å; W313-W319 HydrophobicContact CB-CZ3 3.82Å; W313-W319 HydrophobicContact CG-CH2 4.06Å; W313-W319 HydrophobicContact CG-CZ3 4.29Å; W313-A332 PolarHBondContact NE1-O 3.49Å; W313-A336 HydrophobicContact CB-CB 3.83Å; W313-A336 WeakPolarHBondContact O-CA 3.46Å; W313-I337 PolarHBondContact O-N 3.35Å
314	L	94.9	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	105.4	167	178.8	62.7	0	0	0	109.9	M216 V219 V220 W225 V286 V287 T288 I337	M216-L314 HydrophobicContact CB-CD2 4.09Å; M216-L314 HydrophobicContact CE-CD2 4.24Å; M216-L314 HydrophobicContact CE-CG 3.84Å; V219-L314 HydrophobicContact CB-CD2 4.43Å; V219-L314 HydrophobicContact CG1-CD1 3.91Å; V219-L314 HydrophobicContact CG1-CD2 4.18Å; V220-L314 HydrophobicContact CG2-CD2 3.47Å; V220-L314 VanDerWaalsContact CG2-CD2 3.47Å; W225-L314 HydrophobicContact CZ3-CB 4.19Å; V286-L314 PolarHBondContact O-N 3.38Å; V287-L314 CarbonylContact C-O 3.57Å; V287-L314 WeakPolarHBondContact CA-O 3.38Å; V287-L314 HydrophobicContact CG2-CD2 4.32Å; T288-L314 PolarHBondContact N-O 3.24Å; L314-I337 CarbonylContact C-O 3.58Å; L314-I337 VanDerWaalsContact CA-O 3.25Å; L314-I337 WeakPolarHBondContact CA-O 3.43Å; L314-I337 HydrophobicContact CD1-CB 3.93Å; L314-I337 HydrophobicContact CD1-CG2 3.66Å
315	G	93.9	Very high	88.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.2	-178.2	0	0	0	0	0	114.5	T288 I337 T338 I339	T288-G315 WeakPolarHBondContact OG1-CA 3.34Å; G315-I337 PolarHBondContact N-O 3.06Å; G315-T338 WeakPolarHBondContact O-CA 3.39Å; G315-T338 PolarHBondContact O-OG1 3.22Å; G315-I339 PolarHBondContact O-N 3.02Å
316	S	94.1	Very high	88.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.			trans	-74	179.7	166.2	69	0	0	0	0	111.8	Y237 T288 N318 W319 G320 T338	Y237-S316 VanDerWaalsContact OH-CB 3.27Å; Y237-S316 WeakPolarHBondContact OH-CB 3.28Å; Y237-S316 PolarHBondContact OH-OG 3.18Å; T288-S316 PolarHBondContact O-N 2.97Å; T288-S316 PolarHBondContact O-OG 3.38Å; S316-N318 PolarHBondContact O-N 3.14Å; S316-W319 WeakPolarHBondContact O-CB 3.24Å; S316-W319 PolarHBondContact O-N 3.41Å; S316-W319 VanDerWaalsContact O-N 3.13Å; S316-G320 PolarHBondContact O-N 3.22Å; S316-T338 PolarHBondContact O-OG1 2.75Å
317	D	90.1	Very high	87.6	Confident	2 Å²	2	27 Å²	27	1%	0.011	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24	-179.6	65.4	-15.2	0	0	0	115.8	Q212 Y237 W319 G320 K322 I339 P341 Y398	Q212-D317 VanDerWaalsContact NE2-CB 3.33Å; Q212-D317 VanDerWaalsContact NE2-N 3.15Å; Q212-D317 PolarHBondContact NE2-OD1 3.47Å; Q212-D317 PolarHBondContact NE2-OD2 3.21Å; Y237-D317 PolarHBondContact OH-OD1 3.43Å; D317-W319 VanDerWaalsContact C-N 3.26Å; D317-W319 PolarHBondContact O-N 3.44Å; D317-G320 PolarHBondContact O-N 3.47Å; D317-K322 PolarHBondContact O-NZ 3.45Å; D317-I339 WeakPolarHBondContact CA-O 3.39Å; D317-I339 PolarHBondContact N-O 3.37Å; D317-P341 HydrophobicContact CB-CG 4.48Å; D317-Y398 VanDerWaalsContact CB-OH 3.29Å; D317-Y398 WeakPolarHBondContact CB-OH 3.49Å; D317-Y398 PolarHBondContact OD2-OH 3.44Å
318	N	88.2	Confident	87.1	Confident	17 Å²	17	31.3 Å²	31.3	9%	0.091	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.2	177.9	-125.9	-44	0	0	0	112.1	K79 Y237 H291 S316 K322	K79-N318 PolarHBondContact NZ-OD1 2.71Å; Y237-N318 HydrophobicContact CE1-CB 4.1Å; H291-N318 PolarHBondContact CD2-ND2 2.71Å; H291-N318 PolarHBondContact NE2-ND2 3.46Å; S316-N318 PolarHBondContact O-N 3.14Å; N318-K322 VanDerWaalsContact C-NZ 3.3Å; N318-K322 PolarHBondContact O-NZ 3.09Å
319	W	88.4	Confident	87	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-69.5	158.8	-170.9	-21.2	0	0	0	108.6	I295 M299 W313 S316 D317 K322 A325 V326 A336 Y481	I295-W319 HydrophobicContact CD1-CE3 3.9Å; I295-W319 HydrophobicContact CD1-CZ3 4.25Å; I295-W319 HydrophobicContact CG1-CD2 4.47Å; I295-W319 HydrophobicContact CG1-CE3 4.17Å; I295-W319 HydrophobicContact CG2-CD2 3.85Å; I295-W319 HydrophobicContact CG2-CE3 3.88Å; I295-W319 HydrophobicContact CG2-CG 4.43Å; I295-W319 HydrophobicContact CG2-CH2 4.29Å; I295-W319 HydrophobicContact CG2-CZ2 4.22Å; I295-W319 HydrophobicContact CG2-CZ3 4.09Å; M299-W319 HydrophobicContact CE-CH2 3.28Å; M299-W319 HydrophobicContact CE-CZ2 4.06Å; M299-W319 HydrophobicContact CE-CZ3 3.72Å; W313-W319 HydrophobicContact CB-CH2 3.76Å; W313-W319 HydrophobicContact CB-CZ3 3.82Å; W313-W319 HydrophobicContact CG-CH2 4.06Å; W313-W319 HydrophobicContact CG-CZ3 4.29Å; S316-W319 WeakPolarHBondContact O-CB 3.24Å; S316-W319 PolarHBondContact O-N 3.41Å; S316-W319 VanDerWaalsContact O-N 3.13Å; D317-W319 VanDerWaalsContact C-N 3.26Å; D317-W319 PolarHBondContact O-N 3.44Å; W319-K322 WeakPolarHBondContact O-CB 3.47Å; W319-K322 WeakPolarHBondContact O-CG 3.02Å; W319-K322 PolarHBondContact O-N 2.94Å; W319-A325 HydrophobicContact CG-CB 4.46Å; W319-V326 HydrophobicContact CZ2-CG1 3.74Å; W319-A336 HydrophobicContact CH2-CB 3.68Å; W319-A336 HydrophobicContact CZ2-CB 3.77Å; W319-Y481 AromaticContact NE1-CZ 3.89Å; W319-Y481 PolarHBondContact NE1-OH 3.07Å
320	G	83.1	Confident	87	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-147.2	179.3	0	0	0	0	0	112.8	S316 D317 K322 T338	S316-G320 PolarHBondContact O-N 3.22Å; D317-G320 PolarHBondContact O-N 3.47Å; G320-K322 PolarHBondContact O-N 3.25Å; G320-T338 VanDerWaalsContact CA-OG1 3.29Å; G320-T338 WeakPolarHBondContact CA-OG1 3.4Å; G320-T338 PolarHBondContact N-OG1 3.45Å; G320-T338 WeakPolarHBondContact O-CG2 3.32Å
321	T	85.8	Confident	86.8	Confident	35 Å²	35	27.5 Å²	27.5	22%	0.215	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	15.8	-178.9	50.2	0	0	0	0	114.2	R323 Q340 Y472 Y481	T321-R323 PolarHBondContact O-N 2.9Å; T321-Q340 PolarHBondContact OG1-NE2 3.03Å; T321-Q340 PolarHBondContact OG1-OE1 3.35Å; T321-Q340 VanDerWaalsContact OG1-OE1 3.11Å; T321-Y472 HydrophobicContact CG2-CD1 3.77Å; T321-Y472 HydrophobicContact CG2-CD2 3.54Å; T321-Y472 HydrophobicContact CG2-CE1 3.94Å; T321-Y472 HydrophobicContact CG2-CE2 3.68Å; T321-Y472 HydrophobicContact CG2-CG 3.58Å; T321-Y481 HydrophobicContact CG2-CD2 4.49Å; T321-Y481 HydrophobicContact CG2-CG 4.14Å; T321-Y481 WeakPolarHBondContact O-CD2 3.3Å
322	K	84.3	Confident	86.5	Confident	7 Å²	7	27 Å²	27	3%	0.03	16%	0.157	C	C	.	.			trans	-76.9	124.7	-170.7	-57.1	-173.5	-165.3	92.7	0	111.5	K79 E292 D317 N318 W319 G320 A324 A325 E396	K79-K322 HydrophobicContact CD-CD 4.39Å; K79-K322 HydrophobicContact CG-CD 4.17Å; E292-K322 WeakPolarHBondContact OE2-CD 3.41Å; D317-K322 PolarHBondContact O-NZ 3.45Å; N318-K322 VanDerWaalsContact C-NZ 3.3Å; N318-K322 PolarHBondContact O-NZ 3.09Å; W319-K322 WeakPolarHBondContact O-CB 3.47Å; W319-K322 WeakPolarHBondContact O-CG 3.02Å; W319-K322 PolarHBondContact O-N 2.94Å; G320-K322 PolarHBondContact O-N 3.25Å; K322-A324 VanDerWaalsContact C-N 3.34Å; K322-A324 PolarHBondContact O-N 3.31Å; K322-A325 PolarHBondContact O-N 3.27Å; K322-E396 VanDerWaalsContact CE-OE1 3.23Å; K322-E396 WeakPolarHBondContact CE-OE1 3.43Å
323	R	80.3	Confident	86.2	Confident	117 Å²	117	26.2 Å²	26.2	44%	0.442	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-65.3	-37.3	179.9	-72.3	-178.2	171.7	173.2	-1.2	112.1	T321 A325 V326 A327 V394	T321-R323 PolarHBondContact O-N 2.9Å; R323-A325 PolarHBondContact O-N 3.48Å; R323-A325 VanDerWaalsContact O-N 3.1Å; R323-V326 PolarHBondContact O-N 2.9Å; R323-A327 VanDerWaalsContact O-CB 3.25Å; R323-A327 WeakPolarHBondContact O-CB 3.5Å; R323-A327 PolarHBondContact O-N 3.02Å; R323-V394 VanDerWaalsContact CZ-CG2 3.43Å
324	A	80	Confident	85.8	Confident	46 Å²	46	32 Å²	32	38%	0.38	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-55.5	-31.3	-177.4	0	0	0	0	0	113.8	K322 V326	K322-A324 VanDerWaalsContact C-N 3.34Å; K322-A324 PolarHBondContact O-N 3.31Å; A324-V326 VanDerWaalsContact C-N 3.3Å; A324-V326 PolarHBondContact O-N 3.45Å
325	A	82.1	Confident	85.3	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-66.3	-29.5	179	0	0	0	0	0	113.3	E292 I295 W319 K322 R323	E292-A325 HydrophobicContact CB-CB 4.35Å; I295-A325 HydrophobicContact CG2-CB 4.09Å; W319-A325 HydrophobicContact CG-CB 4.46Å; K322-A325 PolarHBondContact O-N 3.27Å; R323-A325 PolarHBondContact O-N 3.48Å; R323-A325 VanDerWaalsContact O-N 3.1Å
326	V	83.8	Confident	85.1	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.036	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-15.9	-169.6	-62.5	0	0	0	0	114.5	W319 R323 A324 Q328 H329 P330 S333 F474 Y481	W319-V326 HydrophobicContact CZ2-CG1 3.74Å; R323-V326 PolarHBondContact O-N 2.9Å; A324-V326 VanDerWaalsContact C-N 3.3Å; A324-V326 PolarHBondContact O-N 3.45Å; V326-Q328 PolarHBondContact O-N 2.91Å; V326-H329 CarbonylContact O-C 3.43Å; V326-H329 PolarHBondContact O-N 2.98Å; V326-P330 VanDerWaalsContact O-N 3.15Å; V326-S333 WeakPolarHBondContact CB-OG 3.13Å; V326-S333 VanDerWaalsContact CG1-CB 3.48Å; V326-S333 VanDerWaalsContact CG1-OG 3.31Å; V326-S333 WeakPolarHBondContact CG1-OG 3.33Å; V326-F474 HydrophobicContact CB-CE2 4.45Å; V326-F474 HydrophobicContact CB-CZ 4.41Å; V326-F474 HydrophobicContact CG2-CD2 4.18Å; V326-F474 HydrophobicContact CG2-CE2 3.64Å; V326-F474 HydrophobicContact CG2-CZ 3.98Å; V326-Y481 WeakPolarHBondContact CG1-OH 3.43Å; V326-Y481 HydrophobicContact CG2-CE2 4.32Å
327	A	78.6	Confident	85	Confident	70 Å²	70	32.4 Å²	32.4	58%	0.579	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.1	-169	0	0	0	0	0	114.5	R323	R323-A327 VanDerWaalsContact O-CB 3.25Å; R323-A327 WeakPolarHBondContact O-CB 3.5Å; R323-A327 PolarHBondContact O-N 3.02Å
328	Q	81.6	Confident	85.1	Confident	118 Å²	118	32.3 Å²	32.3	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-27.9	-178.3	-65.3	-178.2	-3.1	0	0	113.2	V326	V326-Q328 PolarHBondContact O-N 2.91Å
329	H	86.8	Confident	85.3	Confident	39 Å²	39	31.5 Å²	31.5	18%	0.181	18%	0.175	C	C	.	.			trans	-139.9	57.2	-171.6	-57.4	98.3	0	0	0	111.7	M299 V303 V326 S331 A332	M299-H329 HydrophobicContact CB-CB 4.11Å; V303-H329 HydrophobicContact CG2-CB 3.9Å; V326-H329 CarbonylContact O-C 3.43Å; V326-H329 PolarHBondContact O-N 2.98Å; H329-S331 PolarHBondContact O-N 3.49Å; H329-A332 PolarHBondContact O-N 3.31Å; H329-A332 VanDerWaalsContact O-N 3.12Å
330	P	84.7	Confident	85.3	Confident	24 Å²	24	31.6 Å²	31.6	16%	0.156	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63	-28.6	-172.2	26	-35.5	0	0	0	113.2	V326 A332 S333 F334 F474	V326-P330 VanDerWaalsContact O-N 3.15Å; P330-A332 VanDerWaalsContact C-N 3.29Å; P330-A332 PolarHBondContact O-N 3.02Å; P330-S333 PolarHBondContact O-N 3.16Å; P330-S333 PolarHBondContact O-OG 3.34Å; P330-F334 PolarHBondContact O-N 3.09Å; P330-F474 HydrophobicContact CB-CE1 3.97Å; P330-F474 HydrophobicContact CB-CZ 3.91Å; P330-F474 WeakPolarHBondContact O-CE1 3.22Å
331	S	84.5	Confident	85.5	Confident	60 Å²	60	31.9 Å²	31.9	42%	0.42	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-63.5	-31.8	177.9	54.6	0	0	0	0	113	H329 S333	H329-S331 PolarHBondContact O-N 3.49Å; S331-S333 VanDerWaalsContact C-N 3.35Å
332	A	86.6	Confident	85.5	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.033	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-74.9	-25.5	178.2	0	0	0	0	0	113.2	M299 V302 V303 T308 W313 H329 P330	M299-A332 HydrophobicContact CB-CB 4.2Å; M299-A332 HydrophobicContact SD-CB 3.9Å; V302-A332 HydrophobicContact CB-CB 4.15Å; V302-A332 HydrophobicContact CG1-CB 3.97Å; V303-A332 HydrophobicContact CG2-CB 3.78Å; T308-A332 HydrophobicContact CG2-CB 4.05Å; W313-A332 PolarHBondContact NE1-O 3.49Å; H329-A332 PolarHBondContact O-N 3.31Å; H329-A332 VanDerWaalsContact O-N 3.12Å; P330-A332 VanDerWaalsContact C-N 3.29Å; P330-A332 PolarHBondContact O-N 3.02Å
333	S	86	Confident	85.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-99	6.6	-179.9	53.5	0	0	0	0	113.7	V326 P330 S331 G335 A336 F474	V326-S333 WeakPolarHBondContact CB-OG 3.13Å; V326-S333 VanDerWaalsContact CG1-CB 3.48Å; V326-S333 VanDerWaalsContact CG1-OG 3.31Å; V326-S333 WeakPolarHBondContact CG1-OG 3.33Å; P330-S333 PolarHBondContact O-N 3.16Å; P330-S333 PolarHBondContact O-OG 3.34Å; S331-S333 VanDerWaalsContact C-N 3.35Å; S333-G335 PolarHBondContact O-N 3.35Å; S333-A336 WeakPolarHBondContact O-CB 3.41Å; S333-A336 PolarHBondContact O-N 3.27Å; S333-F474 WeakPolarHBondContact O-CD1 3.48Å
334	F	84	Confident	85.2	Confident	125 Å²	125	29 Å²	29	55%	0.548	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	127.8	-178.4	177.2	-110.7	0	0	0	111.5	P330 A336 D476	P330-F334 PolarHBondContact O-N 3.09Å; F334-A336 PolarHBondContact O-N 3.15Å; F334-D476 HydrophobicContact CD2-CB 3.49Å; F334-D476 VanDerWaalsContact CD2-CB 3.49Å; F334-D476 HydrophobicContact CE2-CB 4Å; F334-D476 HydrophobicContact CG-CB 4.41Å
335	G	83.9	Confident	85.5	Confident	6 Å²	6	30.4 Å²	30.4	6%	0.062	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	2	179.6	0	0	0	0	0	114.7	S333 I337 F474 F499	S333-G335 PolarHBondContact O-N 3.35Å; G335-I337 PolarHBondContact O-N 3.11Å; G335-F474 WeakPolarHBondContact CA-O 3.33Å; G335-F474 PolarHBondContact N-O 3.1Å; G335-F499 WeakPolarHBondContact O-CZ 3.41Å
336	A	90	Very high	86	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	18%	0.183	C	C	.	.			trans	-55.4	130.3	176.1	0	0	0	0	0	110.5	W313 W319 S333 F334 Q473 F474	W313-A336 HydrophobicContact CB-CB 3.83Å; W313-A336 WeakPolarHBondContact O-CA 3.46Å; W319-A336 HydrophobicContact CH2-CB 3.68Å; W319-A336 HydrophobicContact CZ2-CB 3.77Å; S333-A336 WeakPolarHBondContact O-CB 3.41Å; S333-A336 PolarHBondContact O-N 3.27Å; F334-A336 PolarHBondContact O-N 3.15Å; A336-Q473 CarbonylContact O-C 3.54Å; A336-Q473 WeakPolarHBondContact O-CA 3.3Å; A336-F474 HydrophobicContact CB-CB 4.36Å; A336-F474 PolarHBondContact O-N 2.94Å
337	I	91.6	Very high	86.4	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.6	174.6	-62.4	160.8	0	0	0	107.2	V219 L223 W313 L314 G315 G335 I471 Y472 Q473 L496 F499	V219-I337 HydrophobicContact CG1-CG2 4.27Å; L223-I337 HydrophobicContact CD1-CD1 3.64Å; L223-I337 HydrophobicContact CD2-CD1 3.95Å; L223-I337 HydrophobicContact CG-CD1 4.41Å; W313-I337 PolarHBondContact O-N 3.35Å; L314-I337 CarbonylContact C-O 3.58Å; L314-I337 VanDerWaalsContact CA-O 3.25Å; L314-I337 WeakPolarHBondContact CA-O 3.43Å; L314-I337 HydrophobicContact CD1-CB 3.93Å; L314-I337 HydrophobicContact CD1-CG2 3.66Å; G315-I337 PolarHBondContact N-O 3.06Å; G335-I337 PolarHBondContact O-N 3.11Å; I337-I471 HydrophobicContact CG2-CG2 3.71Å; I337-Y472 CarbonylContact C-O 3.5Å; I337-Y472 WeakPolarHBondContact CA-O 3.18Å; I337-Q473 HydrophobicContact CG1-CG 4.27Å; I337-L496 HydrophobicContact CD1-CD2 3.61Å; I337-L496 HydrophobicContact CG1-CD2 4.1Å; I337-L496 HydrophobicContact CG2-CD2 4.25Å; I337-F499 HydrophobicContact CD1-CE2 4.35Å
338	T	93.1	Very high	87	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.7	176.6	-172.2	0	0	0	0	109.8	G315 S316 G320 Y472 Y481	G315-T338 WeakPolarHBondContact O-CA 3.39Å; G315-T338 PolarHBondContact O-OG1 3.22Å; S316-T338 PolarHBondContact O-OG1 2.75Å; G320-T338 VanDerWaalsContact CA-OG1 3.29Å; G320-T338 WeakPolarHBondContact CA-OG1 3.4Å; G320-T338 PolarHBondContact N-OG1 3.45Å; G320-T338 WeakPolarHBondContact O-CG2 3.32Å; T338-Y472 PolarHBondContact N-O 2.94Å; T338-Y472 PolarHBondContact O-N 2.78Å; T338-Y481 HydrophobicContact CG2-CD1 3.98Å; T338-Y481 HydrophobicContact CG2-CE1 3.89Å
339	I	91.5	Very high	87.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	159.7	174	65.3	171	0	0	0	110.5	Q212 A215 M216 G315 D317 Y469 N470 I471	Q212-I339 HydrophobicContact CB-CD1 4.46Å; Q212-I339 HydrophobicContact CG-CD1 3.39Å; Q212-I339 HydrophobicContact CG-CG1 4.31Å; A215-I339 HydrophobicContact CB-CD1 4.23Å; M216-I339 HydrophobicContact CG-CD1 3.37Å; M216-I339 HydrophobicContact CG-CG1 4.14Å; M216-I339 HydrophobicContact SD-CD1 4Å; G315-I339 PolarHBondContact O-N 3.02Å; D317-I339 WeakPolarHBondContact CA-O 3.39Å; D317-I339 PolarHBondContact N-O 3.37Å; I339-Y469 HydrophobicContact CD1-CD1 4.28Å; I339-N470 CarbonylContact C-O 3.59Å; I339-N470 WeakPolarHBondContact CA-O 3.45Å; I339-I471 HydrophobicContact CG2-CG1 4Å; I339-I471 HydrophobicContact CG2-CG2 4.44Å
340	Q	88.9	Confident	88	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141.4	177.1	-176.8	167	49.1	0	0	109.5	T321 K342 A397 Y469 N470 Y472	T321-Q340 PolarHBondContact OG1-NE2 3.03Å; T321-Q340 PolarHBondContact OG1-OE1 3.35Å; T321-Q340 VanDerWaalsContact OG1-OE1 3.11Å; Q340-K342 PolarHBondContact O-N 3.48Å; Q340-A397 HydrophobicContact CG-CB 4.15Å; Q340-Y469 VanDerWaalsContact C-CD1 3.48Å; Q340-Y469 CarbonylContact O-C 3.58Å; Q340-Y469 VanDerWaalsContact O-CA 3.26Å; Q340-Y469 WeakPolarHBondContact O-CA 3.38Å; Q340-Y469 WeakPolarHBondContact O-CD1 3.48Å; Q340-N470 PolarHBondContact N-O 3.25Å; Q340-N470 PolarHBondContact O-N 3.39Å; Q340-Y472 HydrophobicContact CB-CE2 4.16Å
341	P	88	Confident	88.5	Confident	6 Å²	6	36 Å²	36	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	138	172.9	-26.9	34.4	0	0	0	110.6	D317 S343 Y398 Y469	D317-P341 HydrophobicContact CB-CG 4.48Å; P341-S343 PolarHBondContact O-N 2.99Å; P341-S343 VanDerWaalsContact O-N 3.08Å; P341-S343 PolarHBondContact O-OG 3.47Å; P341-Y398 WeakPolarHBondContact CD-OH 3.35Å; P341-Y398 HydrophobicContact CG-CE1 4.18Å; P341-Y469 HydrophobicContact CB-CE1 4.46Å; P341-Y469 HydrophobicContact CG-CD1 4.38Å; P341-Y469 HydrophobicContact CG-CE1 3.93Å
342	K	85.3	Confident	89	Confident	52 Å²	52	35.1 Å²	35.1	23%	0.226	19%	0.185	C	C	.	.			trans	-56.6	121.6	178.9	-173.8	170.1	-172.9	161.6	0	109	Q340 E455 R468 E486	Q340-K342 PolarHBondContact O-N 3.48Å; K342-E455 WeakPolarHBondContact CD-OE1 3.17Å; K342-E455 VanDerWaalsContact CE-OE1 3.29Å; K342-E455 WeakPolarHBondContact CE-OE1 3.38Å; K342-R468 HydrophobicContact CB-CB 3.72Å; K342-R468 HydrophobicContact CD-CB 4.12Å; K342-R468 PolarHBondContact N-O 2.79Å; K342-E486 WeakPolarHBondContact CD-OE1 3.24Å; K342-E486 VanDerWaalsContact NZ-CD 3.29Å; K342-E486 IonicContact NZ-OE1 2.97Å; K342-E486 PolarHBondContact NZ-OE1 3.44Å; K342-E486 IonicContact NZ-OE2 2.71Å; K342-E486 PolarHBondContact NZ-OE2 3.16Å
343	S	79.9	Confident	89.4	Confident	21 Å²	21	35 Å²	35	15%	0.147	18%	0.184	C	C	.	.			trans	-147.5	137.3	-179.5	40	0	0	0	0	105.9	P341 A397	P341-S343 PolarHBondContact O-N 2.99Å; P341-S343 VanDerWaalsContact O-N 3.08Å; P341-S343 PolarHBondContact O-OG 3.47Å; S343-A397 WeakPolarHBondContact CB-O 3.31Å; S343-A397 WeakPolarHBondContact OG-CB 3.43Å; S343-A397 PolarHBondContact OG-O 2.03Å
344	G	78.2	Confident	89.7	Confident	26 Å²	26	35.7 Å²	35.7	27%	0.268	19%	0.188	S	C	.	.			trans	-105.4	162	170.9	0	0	0	0	0	110.6	S400 N453	G344-S400 PolarHBondContact O-OG 3.35Å; G344-N453 WeakPolarHBondContact CA-ND2 3.31Å; G344-N453 PolarHBondContact N-ND2 2.8Å; G344-N453 PolarHBondContact O-ND2 2.83Å
345	V	86.7	Confident	90.2	Very high	75 Å²	75	33.2 Å²	33.2	46%	0.455	19%	0.186	S	C	.	.			trans	-73.9	134.9	-179.8	-178.4	0	0	0	0	109.2	E347 N350 Q395 N453	V345-E347 WeakPolarHBondContact CG1-OE1 3.43Å; V345-N350 WeakPolarHBondContact CG1-ND2 3.42Å; V345-Q395 VanDerWaalsContact CG1-OE1 3.22Å; V345-N453 PolarHBondContact O-OD1 2.85Å; V345-N453 VanDerWaalsContact O-OD1 3.11Å
346	N	91.4	Very high	90.7	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.123	19%	0.186	C	C	.	.			trans	-102.5	99.2	176.1	-174.3	-44.3	0	0	0	108.1	D348 F349 N350 Q395 I403 T452	N346-D348 VanDerWaalsContact C-N 3.29Å; N346-D348 PolarHBondContact O-N 3.08Å; N346-D348 PolarHBondContact OD1-N 3.31Å; N346-F349 HydrophobicContact CB-CB 3.97Å; N346-F349 WeakPolarHBondContact O-CB 3.28Å; N346-F349 PolarHBondContact O-N 2.89Å; N346-F349 PolarHBondContact OD1-N 3.4Å; N346-N350 PolarHBondContact O-N 3.39Å; N346-Q395 PolarHBondContact O-OE1 3.15Å; N346-I403 HydrophobicContact CB-CD1 4.49Å; N346-T452 HydrophobicContact CB-CG2 3.9Å
347	E	92	Very high	90.9	Very high	118 Å²	118	37 Å²	37	55%	0.551	20%	0.199	S	C	*	.	H	α-helix	trans	-64.3	-34	-175.3	-61	-58.4	168	0	0	112.9	V345 F349 N350 L351	V345-E347 WeakPolarHBondContact CG1-OE1 3.43Å; E347-F349 VanDerWaalsContact C-N 3.32Å; E347-F349 PolarHBondContact O-N 3.2Å; E347-N350 WeakPolarHBondContact O-CB 3.41Å; E347-N350 PolarHBondContact O-N 3Å; E347-N350 VanDerWaalsContact O-N 3.14Å; E347-N350 PolarHBondContact OE2-ND2 3.4Å; E347-N350 VanDerWaalsContact OE2-ND2 3.15Å; E347-L351 WeakPolarHBondContact O-CG 3.42Å; E347-L351 PolarHBondContact O-N 2.85Å
348	D	93	Very high	90.9	Very high	98 Å²	98	37.2 Å²	37.2	52%	0.524	20%	0.201	S	C	.	.	H	α-helix	trans	-65.6	-38.5	176.8	-64.4	-31.2	0	0	0	111.5	Y89 N346 N350 L351 Y352	Y89-D348 WeakPolarHBondContact OH-CB 3.48Å; N346-D348 VanDerWaalsContact C-N 3.29Å; N346-D348 PolarHBondContact O-N 3.08Å; N346-D348 PolarHBondContact OD1-N 3.31Å; D348-N350 VanDerWaalsContact C-N 3.35Å; D348-L351 PolarHBondContact O-N 3.26Å; D348-Y352 WeakPolarHBondContact O-CB 3.41Å; D348-Y352 PolarHBondContact O-N 3.2Å
349	F	94.8	Very high	90.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-39.1	172.4	177.1	-97.1	0	0	0	111.5	Q82 E85 A86 Y89 N346 E347 L351 Y352 F353 Q395 V399 I403	Q82-F349 WeakPolarHBondContact O-CZ 3.42Å; E85-F349 HydrophobicContact CB-CE2 4.39Å; E85-F349 HydrophobicContact CB-CZ 4.43Å; A86-F349 VanDerWaalsContact CA-CE2 3.41Å; A86-F349 HydrophobicContact CB-CD2 4.37Å; A86-F349 HydrophobicContact CB-CE2 3.82Å; A86-F349 HydrophobicContact CB-CZ 4.07Å; Y89-F349 HydrophobicContact CD1-CB 4.43Å; Y89-F349 AromaticContact CD1-CD2 3.89Å; Y89-F349 HydrophobicContact CD1-CD2 3.89Å; Y89-F349 HydrophobicContact CE1-CB 4.24Å; Y89-F349 AromaticContact CG-CD2 3.89Å; Y89-F349 HydrophobicContact CG-CD2 3.89Å; N346-F349 HydrophobicContact CB-CB 3.97Å; N346-F349 WeakPolarHBondContact O-CB 3.28Å; N346-F349 PolarHBondContact O-N 2.89Å; N346-F349 PolarHBondContact OD1-N 3.4Å; E347-F349 VanDerWaalsContact C-N 3.32Å; E347-F349 PolarHBondContact O-N 3.2Å; F349-L351 PolarHBondContact O-N 3.14Å; F349-Y352 AromaticContact CD2-CD1 3.97Å; F349-Y352 HydrophobicContact CD2-CD1 3.97Å; F349-Y352 AromaticContact CE2-CD1 3.97Å; F349-Y352 HydrophobicContact CE2-CD1 3.97Å; F349-Y352 HydrophobicContact CE2-CE1 4.27Å; F349-Y352 WeakPolarHBondContact O-CB 3.38Å; F349-Y352 PolarHBondContact O-N 3.42Å; F349-F353 HydrophobicContact CD1-CB 4.46Å; F349-F353 HydrophobicContact CE1-CB 4.01Å; F349-F353 HydrophobicContact CE1-CD2 4.45Å; F349-F353 HydrophobicContact CE1-CG 4.29Å; F349-F353 HydrophobicContact CE2-CB 4.46Å; F349-F353 HydrophobicContact CZ-CB 4.01Å; F349-F353 AromaticContact CZ-CD2 3.93Å; F349-F353 HydrophobicContact CZ-CD2 3.93Å; F349-F353 HydrophobicContact CZ-CG 4.19Å; F349-F353 VanDerWaalsContact O-CB 3.31Å; F349-F353 WeakPolarHBondContact O-CB 3.25Å; F349-F353 PolarHBondContact O-N 3.15Å; F349-Q395 HydrophobicContact CD1-CG 4.28Å; F349-V399 HydrophobicContact CD1-CG1 3.42Å; F349-V399 VanDerWaalsContact CD1-CG1 3.42Å; F349-V399 HydrophobicContact CD2-CG1 4.3Å; F349-V399 HydrophobicContact CE1-CB 4.41Å; F349-V399 HydrophobicContact CE1-CG1 3.54Å; F349-V399 HydrophobicContact CE1-CG2 3.96Å; F349-V399 HydrophobicContact CE2-CG1 4.43Å; F349-V399 HydrophobicContact CG-CG1 3.81Å; F349-V399 HydrophobicContact CZ-CG1 4.06Å; F349-V399 HydrophobicContact CZ-CG2 4.41Å; F349-I403 HydrophobicContact CB-CD1 4.37Å
350	N	93.8	Very high	90.7	Very high	19 Å²	19	45 Å²	45	10%	0.102	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-44	176.4	-68.7	-24.8	0	0	0	111.7	V345 N346 E347 D348 T354 H393 Q395	V345-N350 WeakPolarHBondContact CG1-ND2 3.42Å; N346-N350 PolarHBondContact O-N 3.39Å; E347-N350 WeakPolarHBondContact O-CB 3.41Å; E347-N350 PolarHBondContact O-N 3Å; E347-N350 VanDerWaalsContact O-N 3.14Å; E347-N350 PolarHBondContact OE2-ND2 3.4Å; E347-N350 VanDerWaalsContact OE2-ND2 3.15Å; D348-N350 VanDerWaalsContact C-N 3.35Å; N350-T354 WeakPolarHBondContact O-CB 3.35Å; N350-T354 VanDerWaalsContact O-CG2 3.26Å; N350-T354 WeakPolarHBondContact O-CG2 3.49Å; N350-T354 PolarHBondContact O-N 2.96Å; N350-T354 PolarHBondContact O-OG1 3.06Å; N350-H393 PolarHBondContact OD1-NE2 2.86Å; N350-Q395 PolarHBondContact ND2-OE1 2.88Å; N350-Q395 WeakPolarHBondContact OD1-CB 3.44Å; N350-Q395 PolarHBondContact OD1-OE1 2.61Å
351	L	94.5	Very high	90.9	Very high	117 Å²	117	45.3 Å²	45.3	61%	0.613	25%	0.248	S	C	*	.	H	α-helix	trans	-61.3	-45.7	175	-68.6	173	0	0	0	111.1	E347 D348 F349 T354 S355	E347-L351 WeakPolarHBondContact O-CG 3.42Å; E347-L351 PolarHBondContact O-N 2.85Å; D348-L351 PolarHBondContact O-N 3.26Å; F349-L351 PolarHBondContact O-N 3.14Å; L351-T354 PolarHBondContact O-OG1 3.01Å; L351-S355 WeakPolarHBondContact O-CB 3.47Å; L351-S355 PolarHBondContact O-N 3.19Å
352	Y	95.2	Very high	91.1	Very high	42 Å²	42	52.1 Å²	52.1	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-56.5	175.4	165.1	-104.9	0	0	0	111.8	E85 Y89 D348 F349 T354 S355 L356 R363	E85-Y352 HydrophobicContact CB-CE1 4.36Å; E85-Y352 PolarHBondContact OE2-OH 2.88Å; Y89-Y352 AromaticContact CD2-CD1 3.62Å; Y89-Y352 HydrophobicContact CD2-CD1 3.62Å; Y89-Y352 HydrophobicContact CD2-CD2 4.11Å; Y89-Y352 HydrophobicContact CD2-CE1 4.27Å; Y89-Y352 AromaticContact CD2-CG 3.53Å; Y89-Y352 HydrophobicContact CD2-CG 3.53Å; Y89-Y352 HydrophobicContact CE2-CG 4.16Å; Y89-Y352 AromaticContact CG-CD1 3.99Å; Y89-Y352 HydrophobicContact CG-CD1 3.99Å; Y89-Y352 HydrophobicContact CG-CE1 4.41Å; Y89-Y352 HydrophobicContact CG-CG 4.36Å; D348-Y352 WeakPolarHBondContact O-CB 3.41Å; D348-Y352 PolarHBondContact O-N 3.2Å; F349-Y352 AromaticContact CD2-CD1 3.97Å; F349-Y352 HydrophobicContact CD2-CD1 3.97Å; F349-Y352 AromaticContact CE2-CD1 3.97Å; F349-Y352 HydrophobicContact CE2-CD1 3.97Å; F349-Y352 HydrophobicContact CE2-CE1 4.27Å; F349-Y352 WeakPolarHBondContact O-CB 3.38Å; F349-Y352 PolarHBondContact O-N 3.42Å; Y352-T354 PolarHBondContact O-N 2.98Å; Y352-S355 WeakPolarHBondContact O-CB 3.49Å; Y352-S355 PolarHBondContact O-N 2.98Å; Y352-S355 PolarHBondContact O-OG 3.28Å; Y352-L356 HydrophobicContact CE1-CD1 4.16Å; Y352-L356 HydrophobicContact CE2-CD2 3.89Å; Y352-R363 PolarHBondContact OH-NH2 2.79Å
353	F	94.8	Very high	91.5	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-42	-174.3	-172.9	-99.1	0	0	0	111.8	I81 Q82 E85 F349 S355 L356 F370 L389 H393	I81-F353 HydrophobicContact CG2-CE2 4.29Å; I81-F353 HydrophobicContact CG2-CZ 4.49Å; Q82-F353 HydrophobicContact CG-CE1 4.07Å; Q82-F353 HydrophobicContact CG-CE2 4.05Å; Q82-F353 HydrophobicContact CG-CZ 3.72Å; E85-F353 HydrophobicContact CB-CD2 3.98Å; E85-F353 HydrophobicContact CB-CE2 4.13Å; E85-F353 HydrophobicContact CG-CD2 4.19Å; E85-F353 HydrophobicContact CG-CE2 3.98Å; F349-F353 HydrophobicContact CD1-CB 4.46Å; F349-F353 HydrophobicContact CE1-CB 4.01Å; F349-F353 HydrophobicContact CE1-CD2 4.45Å; F349-F353 HydrophobicContact CE1-CG 4.29Å; F349-F353 HydrophobicContact CE2-CB 4.46Å; F349-F353 HydrophobicContact CZ-CB 4.01Å; F349-F353 AromaticContact CZ-CD2 3.93Å; F349-F353 HydrophobicContact CZ-CD2 3.93Å; F349-F353 HydrophobicContact CZ-CG 4.19Å; F349-F353 VanDerWaalsContact O-CB 3.31Å; F349-F353 WeakPolarHBondContact O-CB 3.25Å; F349-F353 PolarHBondContact O-N 3.15Å; F353-S355 VanDerWaalsContact C-N 3.27Å; F353-S355 PolarHBondContact O-N 3.41Å; F353-L356 HydrophobicContact CD2-CD1 4.05Å; F353-L356 WeakPolarHBondContact O-CB 3.38Å; F353-L356 WeakPolarHBondContact O-CG 3.38Å; F353-L356 PolarHBondContact O-N 3.23Å; F353-F370 HydrophobicContact CE1-CZ 4.44Å; F353-F370 HydrophobicContact CZ-CE1 4.21Å; F353-F370 AromaticContact CZ-CZ 3.95Å; F353-F370 HydrophobicContact CZ-CZ 3.95Å; F353-L389 HydrophobicContact CD1-CD1 4.29Å; F353-L389 HydrophobicContact CE1-CD1 4.04Å; F353-L389 HydrophobicContact CZ-CD1 4.47Å; F353-L389 VanDerWaalsContact O-CD1 3.28Å; F353-L389 WeakPolarHBondContact O-CD1 3.27Å; F353-H393 AromaticContact CD1-CE1 3.55Å; F353-H393 AromaticContact CD1-ND1 3.58Å; F353-H393 AromaticContact CE1-ND1 3.9Å
354	T	93.7	Very high	92.1	Very high	13 Å²	13	52 Å²	52	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-20.9	179.7	58.2	0	0	0	0	113.9	N350 L351 Y352 L356 R357 L389 Q390 H393	N350-T354 WeakPolarHBondContact O-CB 3.35Å; N350-T354 VanDerWaalsContact O-CG2 3.26Å; N350-T354 WeakPolarHBondContact O-CG2 3.49Å; N350-T354 PolarHBondContact O-N 2.96Å; N350-T354 PolarHBondContact O-OG1 3.06Å; L351-T354 PolarHBondContact O-OG1 3.01Å; Y352-T354 PolarHBondContact O-N 2.98Å; T354-L356 VanDerWaalsContact C-N 3.31Å; T354-R357 PolarHBondContact O-NH1 3.41Å; T354-R357 VanDerWaalsContact O-NH1 3.11Å; T354-L389 HydrophobicContact CG2-CB 4.48Å; T354-Q390 HydrophobicContact CG2-CG 4.18Å; T354-H393 HydrophobicContact CG2-CB 3.76Å
355	S	94.3	Very high	92.9	Very high	73 Å²	73	53.7 Å²	53.7	51%	0.51	28%	0.278	S	S	.	.	H	α-helix	trans	-75.9	-17.4	173.7	78.5	0	0	0	0	113.6	L351 Y352 F353	L351-S355 WeakPolarHBondContact O-CB 3.47Å; L351-S355 PolarHBondContact O-N 3.19Å; Y352-S355 WeakPolarHBondContact O-CB 3.49Å; Y352-S355 PolarHBondContact O-N 2.98Å; Y352-S355 PolarHBondContact O-OG 3.28Å; F353-S355 VanDerWaalsContact C-N 3.27Å; F353-S355 PolarHBondContact O-N 3.41Å
356	L	94.3	Very high	93.3	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	26%	0.258	C	S	.	.			trans	-65.6	141.9	-177.5	-61.9	175.6	0	0	0	111.7	E85 Y352 F353 T354 N361 F367 L389	E85-L356 HydrophobicContact CG-CD1 4.16Å; Y352-L356 HydrophobicContact CE1-CD1 4.16Å; Y352-L356 HydrophobicContact CE2-CD2 3.89Å; F353-L356 HydrophobicContact CD2-CD1 4.05Å; F353-L356 WeakPolarHBondContact O-CB 3.38Å; F353-L356 WeakPolarHBondContact O-CG 3.38Å; F353-L356 PolarHBondContact O-N 3.23Å; T354-L356 VanDerWaalsContact C-N 3.31Å; L356-N361 HydrophobicContact CD2-CB 4.46Å; L356-F367 HydrophobicContact CB-CE1 4.37Å; L356-F367 HydrophobicContact CB-CE2 4.01Å; L356-F367 HydrophobicContact CB-CZ 3.55Å; L356-F367 HydrophobicContact CD1-CE2 3.97Å; L356-F367 HydrophobicContact CD1-CZ 4.39Å; L356-L389 HydrophobicContact CB-CD1 4.47Å
357	R	93	Very high	93.4	Very high	74 Å²	74	49.3 Å²	49.3	28%	0.279	25%	0.252	S	S	.	.			trans	-134.5	147.4	175.4	-64.8	-66.5	-179.4	-98.5	3.5	110.4	T354 E359 S360 N361 S388	T354-R357 PolarHBondContact O-NH1 3.41Å; T354-R357 VanDerWaalsContact O-NH1 3.11Å; R357-E359 PolarHBondContact O-N 3.16Å; R357-S360 PolarHBondContact N-OG 3.08Å; R357-S360 PolarHBondContact O-N 3.4Å; R357-S360 PolarHBondContact O-OG 3.42Å; R357-N361 WeakPolarHBondContact O-CB 3.34Å; R357-N361 PolarHBondContact O-N 2.83Å; R357-S388 PolarHBondContact NH2-OG 1.99Å
358	P	91.9	Very high	93.4	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.045	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.9	176.6	-25.9	35.4	0	0	0	112.8	S360 F367 W371 L379	P358-S360 VanDerWaalsContact C-N 3.29Å; P358-S360 PolarHBondContact O-N 3.11Å; P358-F367 HydrophobicContact CG-CE1 4.26Å; P358-W371 HydrophobicContact CG-CB 4.11Å; P358-W371 HydrophobicContact CG-CD2 3.45Å; P358-W371 VanDerWaalsContact CG-CD2 3.45Å; P358-W371 HydrophobicContact CG-CE3 3.78Å; P358-W371 HydrophobicContact CG-CG 3.59Å; P358-W371 HydrophobicContact CG-CZ2 4.4Å; P358-W371 HydrophobicContact CG-CZ3 4.37Å; P358-L379 HydrophobicContact CB-CD2 3.96Å; P358-L379 HydrophobicContact CG-CD2 3.81Å
359	E	89.7	Confident	93.4	Very high	87 Å²	87	45.8 Å²	45.8	41%	0.407	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.4	179.8	-60.1	78.9	-172.3	0	0	114	R357 H362 K385	R357-E359 PolarHBondContact O-N 3.16Å; E359-H362 PolarHBondContact O-CE1 3.27Å; E359-H362 VanDerWaalsContact O-CE1 3.24Å; E359-H362 PolarHBondContact O-NE2 2.91Å; E359-K385 WeakPolarHBondContact OE1-CB 3.35Å; E359-K385 WeakPolarHBondContact OE1-CD 3.38Å; E359-K385 WeakPolarHBondContact OE1-CG 3.5Å
360	S	91.4	Very high	93.3	Very high	78 Å²	78	46 Å²	46	55%	0.545	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-28.9	-177.9	60.7	0	0	0	0	113.1	R357 P358 H362	R357-S360 PolarHBondContact N-OG 3.08Å; R357-S360 PolarHBondContact O-N 3.4Å; R357-S360 PolarHBondContact O-OG 3.42Å; P358-S360 VanDerWaalsContact C-N 3.29Å; P358-S360 PolarHBondContact O-N 3.11Å; S360-H362 PolarHBondContact O-N 2.94Å
361	N	93	Very high	93.3	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.043	23%	0.231	C	C	.	.			trans	-94.3	59	-169.7	-167.5	16.5	0	0	0	113	E85 L356 R357 R363 F367	E85-N361 PolarHBondContact OE1-ND2 2.85Å; L356-N361 HydrophobicContact CD2-CB 4.46Å; R357-N361 WeakPolarHBondContact O-CB 3.34Å; R357-N361 PolarHBondContact O-N 2.83Å; N361-R363 PolarHBondContact O-N 2.79Å; N361-R363 VanDerWaalsContact OD1-CG 3.25Å; N361-R363 WeakPolarHBondContact OD1-CG 3.07Å; N361-F367 HydrophobicContact CB-CD1 4.03Å; N361-F367 HydrophobicContact CB-CE1 4.29Å; N361-F367 HydrophobicContact CB-CG 4.25Å; N361-F367 WeakPolarHBondContact ND2-CD2 3.44Å; N361-F367 WeakPolarHBondContact ND2-CG 3.23Å
362	H	91.5	Very high	93.2	Very high	149 Å²	149	42.7 Å²	42.7	69%	0.69	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.7	-179.8	-56.7	-46.9	0	0	0	114.3	E359 S360 N364	E359-H362 PolarHBondContact O-CE1 3.27Å; E359-H362 VanDerWaalsContact O-CE1 3.24Å; E359-H362 PolarHBondContact O-NE2 2.91Å; S360-H362 PolarHBondContact O-N 2.94Å; H362-N364 VanDerWaalsContact C-N 3.32Å
363	R	93.6	Very high	92.9	Very high	67 Å²	67	46.1 Å²	46.1	25%	0.253	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.7	179.8	68.2	174.3	-173	-176.6	2.2	113.3	I47 I49 L88 D92 Y352 N361	I47-R363 WeakPolarHBondContact CG1-O 3.36Å; I47-R363 WeakPolarHBondContact CG2-O 3.48Å; I49-R363 HydrophobicContact CD1-CB 4.39Å; L88-R363 HydrophobicContact CD1-CG 4.33Å; D92-R363 VanDerWaalsContact CG-NH1 3.3Å; D92-R363 IonicContact OD1-NH1 3.49Å; D92-R363 PolarHBondContact OD1-NH1 2.9Å; D92-R363 VanDerWaalsContact OD1-NH1 3.14Å; D92-R363 IonicContact OD2-CZ 2.96Å; D92-R363 IonicContact OD2-NH1 3.22Å; D92-R363 PolarHBondContact OD2-NH1 3.13Å; D92-R363 IonicContact OD2-NH2 2.87Å; D92-R363 PolarHBondContact OD2-NH2 2.87Å; Y352-R363 PolarHBondContact OH-NH2 2.79Å; N361-R363 PolarHBondContact O-N 2.79Å; N361-R363 VanDerWaalsContact OD1-CG 3.25Å; N361-R363 WeakPolarHBondContact OD1-CG 3.07Å
364	N	94.2	Very high	92.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.247	C	C	.	.			trans	-104.9	101.9	177.2	179.2	1.5	0	0	0	110.1	I47 L84 E85 H362 W366 F367	I47-N364 HydrophobicContact CD1-CB 4.22Å; L84-N364 HydrophobicContact CD2-CB 4.41Å; E85-N364 VanDerWaalsContact OE1-CB 3.26Å; E85-N364 WeakPolarHBondContact OE1-CB 3.02Å; E85-N364 PolarHBondContact OE1-ND2 2.89Å; H362-N364 VanDerWaalsContact C-N 3.32Å; N364-W366 PolarHBondContact O-N 3.36Å; N364-W366 VanDerWaalsContact O-N 3.1Å; N364-W366 PolarHBondContact OD1-N 2.96Å; N364-W366 VanDerWaalsContact OD1-N 3.07Å; N364-F367 HydrophobicContact CB-CB 4Å; N364-F367 VanDerWaalsContact O-CB 3.31Å; N364-F367 WeakPolarHBondContact O-CB 3.02Å; N364-F367 PolarHBondContact O-N 2.73Å
365	V	93.9	Very high	92.4	Very high	61 Å²	61	50 Å²	50	37%	0.37	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.8	-176.7	-59	0	0	0	0	114.6	K45 I47	K45-V365 HydrophobicContact CB-CG2 3.91Å; K45-V365 HydrophobicContact CD-CG2 4.37Å; K45-V365 HydrophobicContact CG-CG2 4.49Å; I47-V365 HydrophobicContact CG1-CG2 4.03Å
366	W	94.4	Very high	92.2	Very high	6 Å²	6	53.6 Å²	53.6	2%	0.023	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-1	176.9	-58.6	-78.8	0	0	0	113.1	K45 I47 I61 H62 I81 L84 D112 N364 D368 E369 F370	K45-W366 HydrophobicContact CB-CZ2 3.77Å; K45-W366 VanDerWaalsContact O-CZ2 3.23Å; K45-W366 WeakPolarHBondContact O-CZ2 3.35Å; I47-W366 HydrophobicContact CD1-CE3 3.81Å; I47-W366 HydrophobicContact CD1-CZ3 3.53Å; I47-W366 HydrophobicContact CG1-CE3 4.11Å; I47-W366 HydrophobicContact CG1-CH2 4.4Å; I47-W366 HydrophobicContact CG1-CZ3 3.57Å; I61-W366 HydrophobicContact CD1-CD2 3.48Å; I61-W366 VanDerWaalsContact CD1-CD2 3.48Å; I61-W366 HydrophobicContact CD1-CE3 3.25Å; I61-W366 HydrophobicContact CD1-CG 4.29Å; I61-W366 HydrophobicContact CD1-CH2 3.45Å; I61-W366 VanDerWaalsContact CD1-CH2 3.45Å; I61-W366 HydrophobicContact CD1-CZ2 3.67Å; I61-W366 HydrophobicContact CD1-CZ3 3.21Å; I61-W366 HydrophobicContact CG2-CB 3.94Å; I61-W366 HydrophobicContact CG2-CD2 4.08Å; I61-W366 HydrophobicContact CG2-CG 3.78Å; H62-W366 AromaticContact CE1-CD1 3.52Å; H62-W366 AromaticContact CE1-NE1 3.71Å; I81-W366 HydrophobicContact CD1-CB 3.86Å; L84-W366 HydrophobicContact CD1-CE3 3.76Å; L84-W366 HydrophobicContact CD1-CZ3 3.78Å; D112-W366 HydrophobicContact CB-CZ2 4.16Å; N364-W366 PolarHBondContact O-N 3.36Å; N364-W366 VanDerWaalsContact O-N 3.1Å; N364-W366 PolarHBondContact OD1-N 2.96Å; N364-W366 VanDerWaalsContact OD1-N 3.07Å; W366-D368 PolarHBondContact O-N 3.08Å; W366-E369 PolarHBondContact O-N 3.13Å; W366-F370 WeakPolarHBondContact O-CB 3.32Å; W366-F370 PolarHBondContact O-N 3.21Å
367	F	94.3	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-36.5	-175.9	-165.4	-99.4	0	0	0	112.7	I81 L356 P358 N361 N364 F370 W371 L389	I81-F367 HydrophobicContact CG2-CD2 4.42Å; L356-F367 HydrophobicContact CB-CE1 4.37Å; L356-F367 HydrophobicContact CB-CE2 4.01Å; L356-F367 HydrophobicContact CB-CZ 3.55Å; L356-F367 HydrophobicContact CD1-CE2 3.97Å; L356-F367 HydrophobicContact CD1-CZ 4.39Å; P358-F367 HydrophobicContact CG-CE1 4.26Å; N361-F367 HydrophobicContact CB-CD1 4.03Å; N361-F367 HydrophobicContact CB-CE1 4.29Å; N361-F367 HydrophobicContact CB-CG 4.25Å; N361-F367 WeakPolarHBondContact ND2-CD2 3.44Å; N361-F367 WeakPolarHBondContact ND2-CG 3.23Å; N364-F367 HydrophobicContact CB-CB 4Å; N364-F367 VanDerWaalsContact O-CB 3.31Å; N364-F367 WeakPolarHBondContact O-CB 3.02Å; N364-F367 PolarHBondContact O-N 2.73Å; F367-F370 AromaticContact CD2-CD1 3.93Å; F367-F370 HydrophobicContact CD2-CD1 3.93Å; F367-F370 HydrophobicContact CD2-CE1 4.38Å; F367-F370 AromaticContact CE2-CD1 3.9Å; F367-F370 HydrophobicContact CE2-CD1 3.9Å; F367-F370 AromaticContact CE2-CE1 3.88Å; F367-F370 HydrophobicContact CE2-CE1 3.88Å; F367-F370 HydrophobicContact CG-CD1 4.47Å; F367-F370 HydrophobicContact CZ-CD1 4.39Å; F367-F370 HydrophobicContact CZ-CE1 4.25Å; F367-F370 WeakPolarHBondContact O-CB 3.22Å; F367-F370 PolarHBondContact O-N 3.19Å; F367-W371 AromaticContact CE1-CE3 3.9Å; F367-W371 HydrophobicContact CE1-CE3 3.9Å; F367-W371 HydrophobicContact CE1-CZ3 4.32Å; F367-W371 HydrophobicContact CZ-CE3 4.12Å; F367-W371 HydrophobicContact CZ-CZ3 4.33Å; F367-W371 WeakPolarHBondContact O-CB 3.39Å; F367-W371 PolarHBondContact O-N 3.45Å; F367-L389 HydrophobicContact CZ-CD1 4.16Å
368	D	93	Very high	92.1	Very high	79 Å²	79	53.8 Å²	53.8	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-47.6	177.2	-74.3	-1.5	0	0	0	111.6	W366 F370 W371 E372 L379	W366-D368 PolarHBondContact O-N 3.08Å; D368-F370 VanDerWaalsContact C-N 3.33Å; D368-F370 PolarHBondContact O-N 3.29Å; D368-W371 WeakPolarHBondContact O-CB 3.49Å; D368-W371 PolarHBondContact O-N 3.49Å; D368-W371 VanDerWaalsContact O-N 3.15Å; D368-E372 PolarHBondContact O-N 3.13Å; D368-L379 HydrophobicContact CB-CD1 3.47Å; D368-L379 VanDerWaalsContact CB-CD1 3.47Å
369	E	92.6	Very high	92	Very high	64 Å²	64	54.6 Å²	54.6	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.7	-179.9	178.1	176.3	0	0	111.7	K45 H62 V75 W366 W371 K373	K45-E369 IonicContact NZ-OE2 2.76Å; H62-E369 IonicContact CD2-OE1 3.82Å; H62-E369 IonicContact NE2-OE1 3.6Å; H62-E369 PolarHBondContact NE2-OE1 3.29Å; H62-E369 VanDerWaalsContact NE2-OE1 3.11Å; H62-E369 IonicContact NE2-OE2 4Å; H62-E369 PolarHBondContact NE2-OE2 3.33Å; V75-E369 HydrophobicContact CB-CG 4.26Å; V75-E369 HydrophobicContact CG1-CG 4.15Å; W366-E369 PolarHBondContact O-N 3.13Å; E369-W371 VanDerWaalsContact C-N 3.34Å; E369-W371 PolarHBondContact O-N 2.85Å; E369-K373 WeakPolarHBondContact O-CB 3.33Å; E369-K373 PolarHBondContact O-N 2.99Å
370	F	92.9	Very high	92	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-45.9	172.3	157.8	-108.7	0	0	0	112.3	V75 P77 I81 F353 W366 F367 D368 K373 Q374 L389	V75-F370 HydrophobicContact CG2-CB 4.41Å; P77-F370 HydrophobicContact CB-CD2 4.09Å; P77-F370 HydrophobicContact CB-CE2 3.77Å; P77-F370 HydrophobicContact CG-CD2 4.22Å; P77-F370 HydrophobicContact CG-CE2 4.28Å; I81-F370 HydrophobicContact CB-CD2 4.2Å; I81-F370 HydrophobicContact CB-CG 4.25Å; I81-F370 HydrophobicContact CD1-CB 4Å; I81-F370 HydrophobicContact CG1-CB 3.8Å; I81-F370 HydrophobicContact CG1-CD2 4.02Å; I81-F370 HydrophobicContact CG1-CG 3.95Å; I81-F370 HydrophobicContact CG2-CB 4.39Å; I81-F370 HydrophobicContact CG2-CD1 3.97Å; I81-F370 HydrophobicContact CG2-CD2 4.24Å; I81-F370 HydrophobicContact CG2-CE1 4.32Å; I81-F370 HydrophobicContact CG2-CG 3.91Å; F353-F370 HydrophobicContact CE1-CZ 4.44Å; F353-F370 HydrophobicContact CZ-CE1 4.21Å; F353-F370 AromaticContact CZ-CZ 3.95Å; F353-F370 HydrophobicContact CZ-CZ 3.95Å; W366-F370 WeakPolarHBondContact O-CB 3.32Å; W366-F370 PolarHBondContact O-N 3.21Å; F367-F370 AromaticContact CD2-CD1 3.93Å; F367-F370 HydrophobicContact CD2-CD1 3.93Å; F367-F370 HydrophobicContact CD2-CE1 4.38Å; F367-F370 AromaticContact CE2-CD1 3.9Å; F367-F370 HydrophobicContact CE2-CD1 3.9Å; F367-F370 AromaticContact CE2-CE1 3.88Å; F367-F370 HydrophobicContact CE2-CE1 3.88Å; F367-F370 HydrophobicContact CG-CD1 4.47Å; F367-F370 HydrophobicContact CZ-CD1 4.39Å; F367-F370 HydrophobicContact CZ-CE1 4.25Å; F367-F370 WeakPolarHBondContact O-CB 3.22Å; F367-F370 PolarHBondContact O-N 3.19Å; D368-F370 VanDerWaalsContact C-N 3.33Å; D368-F370 PolarHBondContact O-N 3.29Å; F370-K373 PolarHBondContact O-N 3.18Å; F370-Q374 HydrophobicContact CD2-CB 4.4Å; F370-Q374 HydrophobicContact CE2-CB 4.03Å; F370-Q374 HydrophobicContact CE2-CG 4.3Å; F370-Q374 HydrophobicContact CZ-CB 4.38Å; F370-Q374 HydrophobicContact CZ-CG 4.39Å; F370-Q374 VanDerWaalsContact O-CB 3.22Å; F370-Q374 WeakPolarHBondContact O-CB 3.41Å; F370-Q374 PolarHBondContact O-N 3.23Å; F370-L389 HydrophobicContact CE1-CD1 4.42Å; F370-L389 HydrophobicContact CE1-CD2 3.86Å; F370-L389 HydrophobicContact CZ-CD2 3.71Å
371	W	92.9	Very high	91.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-48.4	-178.4	-167.6	-85.4	0	0	0	111.5	P358 F367 D368 E369 K373 Q374 F375 L379 C384 H387 L389	P358-W371 HydrophobicContact CG-CB 4.11Å; P358-W371 HydrophobicContact CG-CD2 3.45Å; P358-W371 VanDerWaalsContact CG-CD2 3.45Å; P358-W371 HydrophobicContact CG-CE3 3.78Å; P358-W371 HydrophobicContact CG-CG 3.59Å; P358-W371 HydrophobicContact CG-CZ2 4.4Å; P358-W371 HydrophobicContact CG-CZ3 4.37Å; F367-W371 AromaticContact CE1-CE3 3.9Å; F367-W371 HydrophobicContact CE1-CE3 3.9Å; F367-W371 HydrophobicContact CE1-CZ3 4.32Å; F367-W371 HydrophobicContact CZ-CE3 4.12Å; F367-W371 HydrophobicContact CZ-CZ3 4.33Å; F367-W371 WeakPolarHBondContact O-CB 3.39Å; F367-W371 PolarHBondContact O-N 3.45Å; D368-W371 WeakPolarHBondContact O-CB 3.49Å; D368-W371 PolarHBondContact O-N 3.49Å; D368-W371 VanDerWaalsContact O-N 3.15Å; E369-W371 VanDerWaalsContact C-N 3.34Å; E369-W371 PolarHBondContact O-N 2.85Å; W371-K373 VanDerWaalsContact C-N 3.29Å; W371-K373 PolarHBondContact O-N 3.22Å; W371-Q374 PolarHBondContact O-N 3.36Å; W371-F375 AromaticContact CD1-CD2 3.88Å; W371-F375 AromaticContact CD2-CD2 3.88Å; W371-F375 HydrophobicContact CD2-CD2 3.88Å; W371-F375 AromaticContact CD2-CE2 3.66Å; W371-F375 HydrophobicContact CD2-CE2 3.66Å; W371-F375 AromaticContact CE2-CD2 3.66Å; W371-F375 AromaticContact CE2-CE2 3.5Å; W371-F375 VanDerWaalsContact CE2-CE2 3.5Å; W371-F375 AromaticContact CE3-CE2 3.91Å; W371-F375 HydrophobicContact CE3-CE2 3.91Å; W371-F375 HydrophobicContact CG-CD2 4.04Å; W371-F375 HydrophobicContact CG-CE2 4.29Å; W371-F375 AromaticContact CH2-CE2 3.9Å; W371-F375 HydrophobicContact CH2-CE2 3.9Å; W371-F375 HydrophobicContact CH2-CZ 4.45Å; W371-F375 HydrophobicContact CZ2-CD2 4.18Å; W371-F375 AromaticContact CZ2-CE2 3.64Å; W371-F375 HydrophobicContact CZ2-CE2 3.64Å; W371-F375 HydrophobicContact CZ2-CZ 4.38Å; W371-F375 HydrophobicContact CZ3-CE2 4.04Å; W371-F375 AromaticContact NE1-CD2 3.65Å; W371-F375 AromaticContact NE1-CE2 3.99Å; W371-F375 WeakPolarHBondContact O-CD2 3.35Å; W371-F375 PolarHBondContact O-N 3.02Å; W371-F375 VanDerWaalsContact O-N 3.14Å; W371-L379 HydrophobicContact CG-CD2 4.15Å; W371-C384 PolarHBondContact NE1-O 2.8Å; W371-H387 WeakPolarHBondContact CH2-O 3.26Å; W371-H387 HydrophobicContact CZ2-CB 3.84Å; W371-H387 WeakPolarHBondContact CZ2-O 3.25Å; W371-L389 HydrophobicContact CE3-CD2 4.37Å; W371-L389 HydrophobicContact CE3-CG 4.39Å; W371-L389 HydrophobicContact CH2-CG 4.27Å; W371-L389 HydrophobicContact CZ3-CD1 3.93Å; W371-L389 HydrophobicContact CZ3-CD2 4.05Å; W371-L389 HydrophobicContact CZ3-CG 3.63Å
372	E	92.4	Very high	91.6	Very high	67 Å²	67	61.2 Å²	61.2	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-58	-42.4	175.7	-69.9	-167	140.8	0	0	111.5	D368 N376 C377 S378 L379	D368-E372 PolarHBondContact O-N 3.13Å; E372-N376 WeakPolarHBondContact O-CA 3.19Å; E372-N376 PolarHBondContact O-N 3.21Å; E372-C377 VanDerWaalsContact CA-O 3.25Å; E372-C377 WeakPolarHBondContact CA-O 3.35Å; E372-C377 WeakPolarHBondContact CB-O 3.44Å; E372-C377 WeakPolarHBondContact CG-O 3.32Å; E372-C377 PolarHBondContact O-N 2.65Å; E372-C377 VanDerWaalsContact O-N 3.09Å; E372-S378 WeakPolarHBondContact OE1-CA 3.1Å; E372-S378 PolarHBondContact OE1-OG 3.4Å; E372-S378 VanDerWaalsContact OE1-OG 3.12Å; E372-L379 HydrophobicContact CG-CB 4.33Å; E372-L379 HydrophobicContact CG-CD1 4.01Å; E372-L379 HydrophobicContact CG-CG 3.72Å; E372-L379 PolarHBondContact OE1-N 2.85Å
373	K	89.1	Confident	91.5	Very high	113 Å²	113	57.2 Å²	57.2	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-44.9	178.4	-177.3	61.9	173.2	-174.2	0	113.2	V75 E369 F370 W371 F375 N376	V75-K373 HydrophobicContact CG1-CB 3.59Å; V75-K373 HydrophobicContact CG1-CG 3.73Å; E369-K373 WeakPolarHBondContact O-CB 3.33Å; E369-K373 PolarHBondContact O-N 2.99Å; F370-K373 PolarHBondContact O-N 3.18Å; W371-K373 VanDerWaalsContact C-N 3.29Å; W371-K373 PolarHBondContact O-N 3.22Å; K373-F375 VanDerWaalsContact C-N 3.34Å; K373-F375 PolarHBondContact O-N 2.93Å; K373-N376 PolarHBondContact O-N 3.19Å
374	Q	88.3	Confident	91.3	Very high	68 Å²	68	54.1 Å²	54.1	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-41	-175.7	178.8	63.3	25.1	0	0	111.5	F370 W371	F370-Q374 HydrophobicContact CD2-CB 4.4Å; F370-Q374 HydrophobicContact CE2-CB 4.03Å; F370-Q374 HydrophobicContact CE2-CG 4.3Å; F370-Q374 HydrophobicContact CZ-CB 4.38Å; F370-Q374 HydrophobicContact CZ-CG 4.39Å; F370-Q374 VanDerWaalsContact O-CB 3.22Å; F370-Q374 WeakPolarHBondContact O-CB 3.41Å; F370-Q374 PolarHBondContact O-N 3.23Å; W371-Q374 PolarHBondContact O-N 3.36Å
375	F	90.5	Very high	91.1	Very high	29 Å²	29	58 Å²	58	13%	0.127	32%	0.322	C	S	.	.	H	α-helix	trans	-100.2	-0.4	-178	-62.6	-67.3	0	0	0	113.4	W371 K373 C377 H387 L389	W371-F375 AromaticContact CD1-CD2 3.88Å; W371-F375 AromaticContact CD2-CD2 3.88Å; W371-F375 HydrophobicContact CD2-CD2 3.88Å; W371-F375 AromaticContact CD2-CE2 3.66Å; W371-F375 HydrophobicContact CD2-CE2 3.66Å; W371-F375 AromaticContact CE2-CD2 3.66Å; W371-F375 AromaticContact CE2-CE2 3.5Å; W371-F375 VanDerWaalsContact CE2-CE2 3.5Å; W371-F375 AromaticContact CE3-CE2 3.91Å; W371-F375 HydrophobicContact CE3-CE2 3.91Å; W371-F375 HydrophobicContact CG-CD2 4.04Å; W371-F375 HydrophobicContact CG-CE2 4.29Å; W371-F375 AromaticContact CH2-CE2 3.9Å; W371-F375 HydrophobicContact CH2-CE2 3.9Å; W371-F375 HydrophobicContact CH2-CZ 4.45Å; W371-F375 HydrophobicContact CZ2-CD2 4.18Å; W371-F375 AromaticContact CZ2-CE2 3.64Å; W371-F375 HydrophobicContact CZ2-CE2 3.64Å; W371-F375 HydrophobicContact CZ2-CZ 4.38Å; W371-F375 HydrophobicContact CZ3-CE2 4.04Å; W371-F375 AromaticContact NE1-CD2 3.65Å; W371-F375 AromaticContact NE1-CE2 3.99Å; W371-F375 WeakPolarHBondContact O-CD2 3.35Å; W371-F375 PolarHBondContact O-N 3.02Å; W371-F375 VanDerWaalsContact O-N 3.14Å; K373-F375 VanDerWaalsContact C-N 3.34Å; K373-F375 PolarHBondContact O-N 2.93Å; F375-C377 WeakPolarHBondContact CB-SG 3.48Å; F375-C377 PolarHBondContact O-N 3.46Å; F375-H387 HydrophobicContact CD1-CB 3.75Å; F375-H387 AromaticContact CD1-CD2 3.96Å; F375-H387 AromaticContact CD1-CG 3.55Å; F375-H387 AromaticContact CD1-ND1 3.72Å; F375-H387 HydrophobicContact CD2-CB 3.88Å; F375-H387 HydrophobicContact CE1-CB 3.68Å; F375-H387 AromaticContact CE1-CG 3.92Å; F375-H387 HydrophobicContact CE2-CB 3.81Å; F375-H387 HydrophobicContact CG-CB 3.85Å; F375-H387 AromaticContact CG-CD2 3.8Å; F375-H387 AromaticContact CG-CG 3.75Å; F375-H387 HydrophobicContact CZ-CB 3.71Å; F375-L389 HydrophobicContact CE2-CD2 4.16Å; F375-L389 HydrophobicContact CZ-CD2 4.1Å
376	N	89.6	Confident	90.8	Very high	149 Å²	149	59 Å²	59	80%	0.797	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	46.9	-177.2	-166.2	52.3	0	0	0	112	E372 K373	E372-N376 WeakPolarHBondContact O-CA 3.19Å; E372-N376 PolarHBondContact O-N 3.21Å; K373-N376 PolarHBondContact O-N 3.19Å
377	C	92.6	Very high	90.6	Very high	37 Å²	37	61.5 Å²	61.5	25%	0.25	35%	0.349	C	S	.	.	S	Bend	trans	-134.4	172.8	-177.4	63.4	0	0	0	0	110.8	E372 F375 C384	E372-C377 VanDerWaalsContact CA-O 3.25Å; E372-C377 WeakPolarHBondContact CA-O 3.35Å; E372-C377 WeakPolarHBondContact CB-O 3.44Å; E372-C377 WeakPolarHBondContact CG-O 3.32Å; E372-C377 PolarHBondContact O-N 2.65Å; E372-C377 VanDerWaalsContact O-N 3.09Å; F375-C377 WeakPolarHBondContact CB-SG 3.48Å; F375-C377 PolarHBondContact O-N 3.46Å; C377-C384 HydrophobicContact CB-CB 3.66Å; C377-C384 WeakPolarHBondContact CB-SG 3.33Å; C377-C384 WeakPolarHBondContact SG-CA 3.44Å; C377-C384 WeakPolarHBondContact SG-CB 3.36Å; C377-C384 CovalentContact SG-SG 2.03Å; C377-C384 PolarHBondContact SG-SG 2.91Å
378	S	92.9	Very high	90.4	Very high	54 Å²	54	62.4 Å²	62.4	38%	0.378	36%	0.355	S	S	.	.			trans	-110.7	136	170.6	176.4	0	0	0	0	110.9	E372 S380 S381 C384	E372-S378 WeakPolarHBondContact OE1-CA 3.1Å; E372-S378 PolarHBondContact OE1-OG 3.4Å; E372-S378 VanDerWaalsContact OE1-OG 3.12Å; S378-S380 WeakPolarHBondContact CB-OG 3.44Å; S378-S380 PolarHBondContact O-N 3.4Å; S378-S380 PolarHBondContact OG-N 2.74Å; S378-S380 PolarHBondContact OG-OG 2.88Å; S378-S381 WeakPolarHBondContact O-CB 3.46Å; S378-S381 PolarHBondContact O-N 3.01Å; S378-C384 WeakPolarHBondContact O-CB 3.38Å; S378-C384 PolarHBondContact O-SG 2.97Å; S378-C384 VanDerWaalsContact O-SG 3.4Å
379	L	89.9	Confident	90.3	Very high	24 Å²	24	59 Å²	59	13%	0.126	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.5	178.2	-75.7	169.2	0	0	0	113.4	P358 D368 W371 E372 S381 K385	P358-L379 HydrophobicContact CB-CD2 3.96Å; P358-L379 HydrophobicContact CG-CD2 3.81Å; D368-L379 HydrophobicContact CB-CD1 3.47Å; D368-L379 VanDerWaalsContact CB-CD1 3.47Å; W371-L379 HydrophobicContact CG-CD2 4.15Å; E372-L379 HydrophobicContact CG-CB 4.33Å; E372-L379 HydrophobicContact CG-CD1 4.01Å; E372-L379 HydrophobicContact CG-CG 3.72Å; E372-L379 PolarHBondContact OE1-N 2.85Å; L379-S381 PolarHBondContact O-N 2.91Å; L379-K385 HydrophobicContact CD2-CG 4.18Å; L379-K385 WeakPolarHBondContact O-CE 3.44Å
380	S	89.2	Confident	90	Very high	110 Å²	110	62.5 Å²	62.5	77%	0.769	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.6	168	58.2	0	0	0	0	113	S378	S378-S380 WeakPolarHBondContact CB-OG 3.44Å; S378-S380 PolarHBondContact O-N 3.4Å; S378-S380 PolarHBondContact OG-N 2.74Å; S378-S380 PolarHBondContact OG-OG 2.88Å
381	S	89.5	Confident	89.3	Confident	56 Å²	56	68 Å²	68	39%	0.392	38%	0.38	S	S	.	.	S	Bend	trans	-89.2	131.2	177.9	178	0	0	0	0	111.8	S378 L379 A383 C384 K385	S378-S381 WeakPolarHBondContact O-CB 3.46Å; S378-S381 PolarHBondContact O-N 3.01Å; L379-S381 PolarHBondContact O-N 2.91Å; S381-A383 PolarHBondContact O-N 3.49Å; S381-A383 PolarHBondContact OG-N 2.78Å; S381-C384 WeakPolarHBondContact O-CB 3.5Å; S381-C384 PolarHBondContact O-N 3.32Å; S381-K385 PolarHBondContact O-N 3.26Å
382	L	87.1	Confident	88.3	Confident	145 Å²	145	73.1 Å²	73.1	76%	0.759	40%	0.403	S	S	*	.	H	α-helix	trans	-59.7	-30.5	174	-164.6	71.5	0	0	0	112	C384 K385 A386	L382-C384 VanDerWaalsContact C-N 3.3Å; L382-C384 PolarHBondContact O-N 2.9Å; L382-K385 PolarHBondContact O-N 2.89Å; L382-A386 PolarHBondContact O-N 3.45Å
383	A	89.5	Confident	87.9	Confident	66 Å²	66	72 Å²	72	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-35.1	175.8	0	0	0	0	0	112.1	S381 K385 A386	S381-A383 PolarHBondContact O-N 3.49Å; S381-A383 PolarHBondContact OG-N 2.78Å; A383-K385 VanDerWaalsContact C-N 3.35Å; A383-A386 PolarHBondContact O-N 3.09Å
384	C	89.7	Confident	87.6	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.014	39%	0.393	C	S	.	.	H	α-helix	trans	-65.9	-40.5	178.6	-170	0	0	0	0	111.1	W371 C377 S378 S381 L382 A386 H387	W371-C384 PolarHBondContact NE1-O 2.8Å; C377-C384 HydrophobicContact CB-CB 3.66Å; C377-C384 WeakPolarHBondContact CB-SG 3.33Å; C377-C384 WeakPolarHBondContact SG-CA 3.44Å; C377-C384 WeakPolarHBondContact SG-CB 3.36Å; C377-C384 CovalentContact SG-SG 2.03Å; C377-C384 PolarHBondContact SG-SG 2.91Å; S378-C384 WeakPolarHBondContact O-CB 3.38Å; S378-C384 PolarHBondContact O-SG 2.97Å; S378-C384 VanDerWaalsContact O-SG 3.4Å; S381-C384 WeakPolarHBondContact O-CB 3.5Å; S381-C384 PolarHBondContact O-N 3.32Å; L382-C384 VanDerWaalsContact C-N 3.3Å; L382-C384 PolarHBondContact O-N 2.9Å; C384-A386 VanDerWaalsContact C-N 3.29Å; C384-A386 PolarHBondContact O-N 3.22Å; C384-H387 PolarHBondContact O-CD2 3.32Å; C384-H387 PolarHBondContact O-N 2.78Å
385	K	88.5	Confident	87.7	Confident	83 Å²	83	67.7 Å²	67.7	36%	0.361	38%	0.384	S	S	.	.	H	α-helix	trans	-67.1	-27.3	177.3	-67.6	177.7	166.8	-170.7	0	113.7	E359 L379 S381 L382 A383 H387	E359-K385 WeakPolarHBondContact OE1-CB 3.35Å; E359-K385 WeakPolarHBondContact OE1-CD 3.38Å; E359-K385 WeakPolarHBondContact OE1-CG 3.5Å; L379-K385 HydrophobicContact CD2-CG 4.18Å; L379-K385 WeakPolarHBondContact O-CE 3.44Å; S381-K385 PolarHBondContact O-N 3.26Å; L382-K385 PolarHBondContact O-N 2.89Å; A383-K385 VanDerWaalsContact C-N 3.35Å; K385-H387 VanDerWaalsContact C-N 3.28Å; K385-H387 PolarHBondContact O-N 2.05Å
386	A	89.2	Confident	87.6	Confident	83 Å²	83	66.7 Å²	66.7	69%	0.686	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.8	-177.8	0	0	0	0	0	114.3	L382 A383 C384	L382-A386 PolarHBondContact O-N 3.45Å; A383-A386 PolarHBondContact O-N 3.09Å; C384-A386 VanDerWaalsContact C-N 3.29Å; C384-A386 PolarHBondContact O-N 3.22Å
387	H	89.8	Confident	87.5	Confident	59 Å²	59	60.3 Å²	60.3	27%	0.273	35%	0.347	S	S	.	.			trans	-61.5	158.1	176	-79.4	-66.7	0	0	0	112.6	W371 F375 C384 K385	W371-H387 WeakPolarHBondContact CH2-O 3.26Å; W371-H387 HydrophobicContact CZ2-CB 3.84Å; W371-H387 WeakPolarHBondContact CZ2-O 3.25Å; F375-H387 HydrophobicContact CD1-CB 3.75Å; F375-H387 AromaticContact CD1-CD2 3.96Å; F375-H387 AromaticContact CD1-CG 3.55Å; F375-H387 AromaticContact CD1-ND1 3.72Å; F375-H387 HydrophobicContact CD2-CB 3.88Å; F375-H387 HydrophobicContact CE1-CB 3.68Å; F375-H387 AromaticContact CE1-CG 3.92Å; F375-H387 HydrophobicContact CE2-CB 3.81Å; F375-H387 HydrophobicContact CG-CB 3.85Å; F375-H387 AromaticContact CG-CD2 3.8Å; F375-H387 AromaticContact CG-CG 3.75Å; F375-H387 HydrophobicContact CZ-CB 3.71Å; C384-H387 PolarHBondContact O-CD2 3.32Å; C384-H387 PolarHBondContact O-N 2.78Å; K385-H387 VanDerWaalsContact C-N 3.28Å; K385-H387 PolarHBondContact O-N 2.05Å
388	S	90.3	Very high	87.5	Confident	18 Å²	18	58.7 Å²	58.7	13%	0.126	34%	0.336	C	S	.	.			trans	-126.6	132.2	177.1	-176.2	0	0	0	0	110	R357 Q390 E391	R357-S388 PolarHBondContact NH2-OG 1.99Å; S388-Q390 PolarHBondContact O-N 3.18Å; S388-Q390 VanDerWaalsContact O-N 3.12Å; S388-Q390 PolarHBondContact OG-N 3.21Å; S388-E391 PolarHBondContact O-N 3.11Å
389	L	90.1	Very high	87.5	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-60.1	-23.2	175.2	-71.3	171.1	0	0	0	112.6	F353 T354 L356 F367 F370 W371 F375 E391 H392 H393	F353-L389 HydrophobicContact CD1-CD1 4.29Å; F353-L389 HydrophobicContact CE1-CD1 4.04Å; F353-L389 HydrophobicContact CZ-CD1 4.47Å; F353-L389 VanDerWaalsContact O-CD1 3.28Å; F353-L389 WeakPolarHBondContact O-CD1 3.27Å; T354-L389 HydrophobicContact CG2-CB 4.48Å; L356-L389 HydrophobicContact CB-CD1 4.47Å; F367-L389 HydrophobicContact CZ-CD1 4.16Å; F370-L389 HydrophobicContact CE1-CD1 4.42Å; F370-L389 HydrophobicContact CE1-CD2 3.86Å; F370-L389 HydrophobicContact CZ-CD2 3.71Å; W371-L389 HydrophobicContact CE3-CD2 4.37Å; W371-L389 HydrophobicContact CE3-CG 4.39Å; W371-L389 HydrophobicContact CH2-CG 4.27Å; W371-L389 HydrophobicContact CZ3-CD1 3.93Å; W371-L389 HydrophobicContact CZ3-CD2 4.05Å; W371-L389 HydrophobicContact CZ3-CG 3.63Å; F375-L389 HydrophobicContact CE2-CD2 4.16Å; F375-L389 HydrophobicContact CZ-CD2 4.1Å; L389-E391 PolarHBondContact O-N 3.23Å; L389-H392 PolarHBondContact O-N 3.31Å; L389-H393 VanDerWaalsContact O-CB 3.28Å; L389-H393 WeakPolarHBondContact O-CB 3.43Å; L389-H393 PolarHBondContact O-N 2.95Å; L389-H393 VanDerWaalsContact O-N 3.09Å
390	Q	86.1	Confident	87.7	Confident	137 Å²	137	55.1 Å²	55.1	64%	0.64	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57	-29.9	177.6	-67.7	-178.5	-17.1	0	0	113.8	T354 S388 H392	T354-Q390 HydrophobicContact CG2-CG 4.18Å; S388-Q390 PolarHBondContact O-N 3.18Å; S388-Q390 VanDerWaalsContact O-N 3.12Å; S388-Q390 PolarHBondContact OG-N 3.21Å; Q390-H392 VanDerWaalsContact C-N 3.27Å; Q390-H392 PolarHBondContact O-N 3.07Å
391	E	77.7	Confident	87.9	Confident	121 Å²	121	50 Å²	50	57%	0.565	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-66.3	-28.5	-174.8	-65.9	178.6	175.2	0	0	113.1	S388 L389	S388-E391 PolarHBondContact O-N 3.11Å; L389-E391 PolarHBondContact O-N 3.23Å
392	H	72.7	Confident	88.3	Confident	106 Å²	106	47.4 Å²	47.4	49%	0.491	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	5.7	-170.8	-62.8	86.2	0	0	0	113.8	L389 Q390 V394	L389-H392 PolarHBondContact O-N 3.31Å; Q390-H392 VanDerWaalsContact C-N 3.27Å; Q390-H392 PolarHBondContact O-N 3.07Å; H392-V394 PolarHBondContact O-N 2.81Å
393	H	84.2	Confident	88.7	Confident	43 Å²	43	40.7 Å²	40.7	20%	0.199	22%	0.224	C	C	.	.			trans	-65.2	125.3	-173.4	-175.8	54.5	0	0	0	112.3	N350 F353 T354 L389	N350-H393 PolarHBondContact OD1-NE2 2.86Å; F353-H393 AromaticContact CD1-CE1 3.55Å; F353-H393 AromaticContact CD1-ND1 3.58Å; F353-H393 AromaticContact CE1-ND1 3.9Å; T354-H393 HydrophobicContact CG2-CB 3.76Å; L389-H393 VanDerWaalsContact O-CB 3.28Å; L389-H393 WeakPolarHBondContact O-CB 3.43Å; L389-H393 PolarHBondContact O-N 2.95Å; L389-H393 VanDerWaalsContact O-N 3.09Å
394	V	83.4	Confident	89	Confident	67 Å²	67	37.8 Å²	37.8	41%	0.406	20%	0.199	S	C	.	.			trans	-134.7	122.3	164.9	179.4	0	0	0	0	107	Q82 R323 H392 E396	Q82-V394 PolarHBondContact NE2-O 3.28Å; Q82-V394 PolarHBondContact OE1-O 3.44Å; R323-V394 VanDerWaalsContact CZ-CG2 3.43Å; H392-V394 PolarHBondContact O-N 2.81Å; V394-E396 PolarHBondContact O-N 3.31Å
395	Q	88.5	Confident	89.4	Confident	24 Å²	24	37.7 Å²	37.7	11%	0.112	20%	0.198	C	C	.	.			trans	-65.4	126.4	178.9	-165.5	-175	-39	0	0	110.7	V345 N346 F349 N350 V399 S400	V345-Q395 VanDerWaalsContact CG1-OE1 3.22Å; N346-Q395 PolarHBondContact O-OE1 3.15Å; F349-Q395 HydrophobicContact CD1-CG 4.28Å; N350-Q395 PolarHBondContact ND2-OE1 2.88Å; N350-Q395 WeakPolarHBondContact OD1-CB 3.44Å; N350-Q395 PolarHBondContact OD1-OE1 2.61Å; Q395-V399 HydrophobicContact CG-CB 4.04Å; Q395-V399 HydrophobicContact CG-CG1 4.12Å; Q395-V399 HydrophobicContact CG-CG2 4.1Å; Q395-S400 PolarHBondContact NE2-OG 3.31Å
396	E	88.9	Confident	89.8	Confident	9 Å²	9	33.7 Å²	33.7	4%	0.042	18%	0.181	C	C	.	.			trans	-70.4	135.7	171.8	-158.3	-81.3	157	0	0	109.9	D78 R83 K322 V394 Y398 V399	D78-E396 HydrophobicContact CB-CB 4.26Å; D78-E396 HydrophobicContact CB-CG 3.98Å; R83-E396 IonicContact CZ-OE1 3.3Å; R83-E396 IonicContact CZ-OE2 2.68Å; R83-E396 IonicContact NE-OE1 3.48Å; R83-E396 IonicContact NE-OE2 3.14Å; R83-E396 PolarHBondContact NE-OE2 3.1Å; R83-E396 VanDerWaalsContact NH2-CD 3.31Å; R83-E396 IonicContact NH2-OE1 3.88Å; R83-E396 PolarHBondContact NH2-OE1 3.41Å; R83-E396 IonicContact NH2-OE2 3.71Å; R83-E396 PolarHBondContact NH2-OE2 3.4Å; K322-E396 VanDerWaalsContact CE-OE1 3.23Å; K322-E396 WeakPolarHBondContact CE-OE1 3.43Å; V394-E396 PolarHBondContact O-N 3.31Å; E396-Y398 VanDerWaalsContact C-N 3.29Å; E396-Y398 PolarHBondContact O-N 3.03Å; E396-Y398 WeakPolarHBondContact OE1-CD2 3.47Å; E396-Y398 WeakPolarHBondContact OE2-CA 3.49Å; E396-Y398 VanDerWaalsContact OE2-CB 3.27Å; E396-Y398 WeakPolarHBondContact OE2-CB 3.25Å; E396-Y398 PolarHBondContact OE2-N 2.95Å; E396-V399 HydrophobicContact CB-CG2 4.2Å; E396-V399 WeakPolarHBondContact O-CB 3.27Å; E396-V399 WeakPolarHBondContact O-CG2 3.34Å; E396-V399 PolarHBondContact O-N 3.46Å
397	A	87.7	Confident	90.2	Very high	14 Å²	14	32.1 Å²	32.1	12%	0.116	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.9	-165.3	0	0	0	0	0	114.7	Q340 S343 V399	Q340-A397 HydrophobicContact CG-CB 4.15Å; S343-A397 WeakPolarHBondContact CB-O 3.31Å; S343-A397 WeakPolarHBondContact OG-CB 3.43Å; S343-A397 PolarHBondContact OG-O 2.03Å; A397-V399 VanDerWaalsContact C-N 3.28Å
398	Y	91.9	Very high	90.5	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.5	175.6	-66.3	-96.7	0	0	0	112.9	Y186 V206 D317 P341 E396 S400 S401 V402	Y186-Y398 WeakPolarHBondContact O-CD1 3.24Å; V206-Y398 HydrophobicContact CG1-CD1 4.12Å; V206-Y398 HydrophobicContact CG1-CE1 3.93Å; D317-Y398 VanDerWaalsContact CB-OH 3.29Å; D317-Y398 WeakPolarHBondContact CB-OH 3.49Å; D317-Y398 PolarHBondContact OD2-OH 3.44Å; P341-Y398 WeakPolarHBondContact CD-OH 3.35Å; P341-Y398 HydrophobicContact CG-CE1 4.18Å; E396-Y398 VanDerWaalsContact C-N 3.29Å; E396-Y398 PolarHBondContact O-N 3.03Å; E396-Y398 WeakPolarHBondContact OE1-CD2 3.47Å; E396-Y398 WeakPolarHBondContact OE2-CA 3.49Å; E396-Y398 VanDerWaalsContact OE2-CB 3.27Å; E396-Y398 WeakPolarHBondContact OE2-CB 3.25Å; E396-Y398 PolarHBondContact OE2-N 2.95Å; Y398-S400 PolarHBondContact O-N 3.02Å; Y398-S401 CarbonylContact O-C 3.56Å; Y398-S401 WeakPolarHBondContact O-CA 3.3Å; Y398-S401 WeakPolarHBondContact O-CB 3.42Å; Y398-S401 PolarHBondContact O-N 3.04Å; Y398-V402 WeakPolarHBondContact O-CG2 3.41Å; Y398-V402 PolarHBondContact O-N 3.11Å
399	V	94.3	Very high	90.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-50.7	-48.5	167.9	163	0	0	0	0	110.1	Q82 A86 F349 Q395 E396 A397 S401 V402 I403	Q82-V399 HydrophobicContact CB-CG2 3.98Å; A86-V399 HydrophobicContact CB-CB 4.43Å; A86-V399 HydrophobicContact CB-CG1 3.88Å; F349-V399 HydrophobicContact CD1-CG1 3.42Å; F349-V399 VanDerWaalsContact CD1-CG1 3.42Å; F349-V399 HydrophobicContact CD2-CG1 4.3Å; F349-V399 HydrophobicContact CE1-CB 4.41Å; F349-V399 HydrophobicContact CE1-CG1 3.54Å; F349-V399 HydrophobicContact CE1-CG2 3.96Å; F349-V399 HydrophobicContact CE2-CG1 4.43Å; F349-V399 HydrophobicContact CG-CG1 3.81Å; F349-V399 HydrophobicContact CZ-CG1 4.06Å; F349-V399 HydrophobicContact CZ-CG2 4.41Å; Q395-V399 HydrophobicContact CG-CB 4.04Å; Q395-V399 HydrophobicContact CG-CG1 4.12Å; Q395-V399 HydrophobicContact CG-CG2 4.1Å; E396-V399 HydrophobicContact CB-CG2 4.2Å; E396-V399 WeakPolarHBondContact O-CB 3.27Å; E396-V399 WeakPolarHBondContact O-CG2 3.34Å; E396-V399 PolarHBondContact O-N 3.46Å; A397-V399 VanDerWaalsContact C-N 3.28Å; V399-S401 VanDerWaalsContact C-N 3.29Å; V399-S401 PolarHBondContact O-N 3.13Å; V399-V402 PolarHBondContact O-N 3.45Å; V399-V402 VanDerWaalsContact O-N 3.13Å; V399-I403 HydrophobicContact CG1-CD1 4.07Å; V399-I403 WeakPolarHBondContact O-CG1 3.43Å; V399-I403 PolarHBondContact O-N 3.21Å
400	S	93.8	Very high	91.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-36.9	178.2	-55.8	0	0	0	0	111.7	G344 Q395 Y398 I403 D404 T452	G344-S400 PolarHBondContact O-OG 3.35Å; Q395-S400 PolarHBondContact NE2-OG 3.31Å; Y398-S400 PolarHBondContact O-N 3.02Å; S400-I403 PolarHBondContact O-N 3.19Å; S400-D404 WeakPolarHBondContact O-CB 3.07Å; S400-D404 PolarHBondContact O-N 3.47Å; S400-T452 PolarHBondContact O-OG1 2.93Å
401	S	94.2	Very high	91.7	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-34	174.5	-53.9	0	0	0	0	113.1	V205 Y398 V399 A405	V205-S401 VanDerWaalsContact CG2-O 3.28Å; V205-S401 WeakPolarHBondContact CG2-O 3.43Å; Y398-S401 CarbonylContact O-C 3.56Å; Y398-S401 WeakPolarHBondContact O-CA 3.3Å; Y398-S401 WeakPolarHBondContact O-CB 3.42Å; Y398-S401 PolarHBondContact O-N 3.04Å; V399-S401 VanDerWaalsContact C-N 3.29Å; V399-S401 PolarHBondContact O-N 3.13Å; S401-A405 WeakPolarHBondContact O-CB 3.08Å; S401-A405 PolarHBondContact O-N 3.47Å
402	V	96.6	Very high	92.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-47.6	173.7	175.4	0	0	0	0	109.9	F59 R83 A86 M87 Y186 Y398 V399 D404 A405 V406	F59-V402 HydrophobicContact CE1-CG1 4.11Å; F59-V402 HydrophobicContact CE1-CG2 4.2Å; F59-V402 HydrophobicContact CZ-CG1 4.25Å; R83-V402 HydrophobicContact CB-CG2 4.01Å; R83-V402 HydrophobicContact CG-CG2 4.21Å; A86-V402 HydrophobicContact CB-CB 4.18Å; A86-V402 HydrophobicContact CB-CG1 4.12Å; M87-V402 HydrophobicContact CB-CG1 3.92Å; Y186-V402 HydrophobicContact CD1-CG2 3.92Å; Y186-V402 HydrophobicContact CD2-CG2 3.71Å; Y186-V402 HydrophobicContact CE1-CG2 4.38Å; Y186-V402 HydrophobicContact CE2-CG2 4.22Å; Y186-V402 HydrophobicContact CG-CG2 3.57Å; Y398-V402 WeakPolarHBondContact O-CG2 3.41Å; Y398-V402 PolarHBondContact O-N 3.11Å; V399-V402 PolarHBondContact O-N 3.45Å; V399-V402 VanDerWaalsContact O-N 3.13Å; V402-D404 VanDerWaalsContact C-N 3.35Å; V402-D404 PolarHBondContact O-N 3.1Å; V402-A405 WeakPolarHBondContact O-CB 2.99Å; V402-A405 PolarHBondContact O-N 3.34Å; V402-A405 VanDerWaalsContact O-N 3.16Å; V402-V406 WeakPolarHBondContact O-CG2 3.01Å; V402-V406 PolarHBondContact O-N 3.11Å; V402-V406 VanDerWaalsContact O-N 3.07Å
403	I	96.7	Very high	93.7	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-56.6	-51.2	176.4	-64.6	169.6	0	0	0	109.5	A86 Y89 A90 N346 F349 V399 S400 A405 V406 Y407	A86-I403 HydrophobicContact CB-CG1 4.22Å; Y89-I403 HydrophobicContact CD1-CD1 4.12Å; Y89-I403 HydrophobicContact CD1-CG1 4.47Å; Y89-I403 HydrophobicContact CE1-CD1 4.21Å; A90-I403 HydrophobicContact CB-CG1 4.38Å; A90-I403 HydrophobicContact CB-CG2 4.3Å; N346-I403 HydrophobicContact CB-CD1 4.49Å; F349-I403 HydrophobicContact CB-CD1 4.37Å; V399-I403 HydrophobicContact CG1-CD1 4.07Å; V399-I403 WeakPolarHBondContact O-CG1 3.43Å; V399-I403 PolarHBondContact O-N 3.21Å; S400-I403 PolarHBondContact O-N 3.19Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 2.79Å; I403-V406 PolarHBondContact O-N 3.43Å; I403-V406 VanDerWaalsContact O-N 3.12Å; I403-Y407 HydrophobicContact CG2-CD2 3.65Å; I403-Y407 HydrophobicContact CG2-CE2 3.73Å; I403-Y407 WeakPolarHBondContact O-CD2 3.47Å; I403-Y407 PolarHBondContact O-N 3.29Å
404	D	95.4	Very high	94.2	Very high	5 Å²	5	13.3 Å²	13.3	3%	0.027	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-36.7	178.5	-65.7	-17.7	0	0	0	112.5	S400 V402 L408 T452 I457 R465	S400-D404 WeakPolarHBondContact O-CB 3.07Å; S400-D404 PolarHBondContact O-N 3.47Å; V402-D404 VanDerWaalsContact C-N 3.35Å; V402-D404 PolarHBondContact O-N 3.1Å; D404-L408 VanDerWaalsContact O-CB 3.24Å; D404-L408 WeakPolarHBondContact O-CB 3.2Å; D404-L408 PolarHBondContact O-N 2.96Å; D404-T452 WeakPolarHBondContact OD1-CB 3.43Å; D404-T452 PolarHBondContact OD1-N 3.31Å; D404-T452 PolarHBondContact OD1-OG1 2.83Å; D404-I457 HydrophobicContact CB-CD1 4.18Å; D404-I457 HydrophobicContact CB-CG1 4.3Å; D404-I457 WeakPolarHBondContact OD2-CD1 3.5Å; D404-R465 IonicContact OD2-NH1 3.81Å
405	A	96.8	Very high	94.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-40.3	176.6	0	0	0	0	0	112.3	I161 I184 V205 S401 V402 I403 L408 F409	I161-A405 HydrophobicContact CD1-CB 4.41Å; I161-A405 HydrophobicContact CG2-CB 4.05Å; I184-A405 HydrophobicContact CG2-CB 3.81Å; V205-A405 HydrophobicContact CG1-CB 4.32Å; V205-A405 HydrophobicContact CG2-CB 3.91Å; S401-A405 WeakPolarHBondContact O-CB 3.08Å; S401-A405 PolarHBondContact O-N 3.47Å; V402-A405 WeakPolarHBondContact O-CB 2.99Å; V402-A405 PolarHBondContact O-N 3.34Å; V402-A405 VanDerWaalsContact O-N 3.16Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 2.79Å; A405-L408 PolarHBondContact O-N 3.33Å; A405-F409 PolarHBondContact O-N 3.27Å; A405-F409 VanDerWaalsContact O-N 3.12Å
406	V	97.8	Very high	95	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69.1	-44.2	177.1	179.7	0	0	0	0	110.6	M87 A90 V91 I94 I161 V402 I403 L408 F409 A410	M87-V406 HydrophobicContact CB-CG2 4.36Å; M87-V406 HydrophobicContact CG-CG2 3.95Å; A90-V406 HydrophobicContact CB-CB 3.89Å; A90-V406 HydrophobicContact CB-CG1 3.85Å; A90-V406 HydrophobicContact CB-CG2 4.26Å; V91-V406 HydrophobicContact CG2-CG1 3.89Å; I94-V406 HydrophobicContact CD1-CG1 3.65Å; I161-V406 HydrophobicContact CG1-CG2 4.32Å; I161-V406 HydrophobicContact CG2-CG2 4.47Å; V402-V406 WeakPolarHBondContact O-CG2 3.01Å; V402-V406 PolarHBondContact O-N 3.11Å; V402-V406 VanDerWaalsContact O-N 3.07Å; I403-V406 PolarHBondContact O-N 3.43Å; I403-V406 VanDerWaalsContact O-N 3.12Å; V406-L408 VanDerWaalsContact C-N 3.34Å; V406-L408 PolarHBondContact O-N 3.06Å; V406-F409 WeakPolarHBondContact O-CB 2.85Å; V406-F409 PolarHBondContact O-N 3.34Å; V406-A410 PolarHBondContact O-N 3Å
407	Y	97.2	Very high	95.1	Very high	50 Å²	50	15.6 Å²	15.6	20%	0.196	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-37.3	174.9	-87.6	-88.3	0	0	0	112.3	A90 I94 L100 I403 F409 A410 H411	A90-Y407 HydrophobicContact CB-CE2 4.31Å; I94-Y407 HydrophobicContact CD1-CD1 4.43Å; I94-Y407 HydrophobicContact CD1-CD2 4.38Å; I94-Y407 HydrophobicContact CD1-CE1 4.45Å; I94-Y407 HydrophobicContact CD1-CE2 4.4Å; I94-Y407 HydrophobicContact CD1-CG 4.4Å; I94-Y407 HydrophobicContact CG1-CD1 4.29Å; I94-Y407 HydrophobicContact CG1-CE1 3.89Å; I94-Y407 HydrophobicContact CG1-CE2 4.34Å; L100-Y407 HydrophobicContact CD2-CD1 3.92Å; L100-Y407 HydrophobicContact CD2-CE1 4.04Å; I403-Y407 HydrophobicContact CG2-CD2 3.65Å; I403-Y407 HydrophobicContact CG2-CE2 3.73Å; I403-Y407 WeakPolarHBondContact O-CD2 3.47Å; I403-Y407 PolarHBondContact O-N 3.29Å; Y407-F409 VanDerWaalsContact C-N 3.32Å; Y407-F409 PolarHBondContact O-N 3.38Å; Y407-A410 PolarHBondContact O-N 3.36Å; Y407-H411 WeakPolarHBondContact O-CB 3.34Å; Y407-H411 PolarHBondContact O-CD2 3.37Å; Y407-H411 PolarHBondContact O-N 3.48Å
408	L	97	Very high	95.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.3	-44.7	173.6	176.6	63.4	0	0	0	111	I184 V205 D404 A405 V406 S412 I444 F449 L459	I184-L408 HydrophobicContact CD1-CD2 4.31Å; I184-L408 HydrophobicContact CD1-CG 4.39Å; I184-L408 HydrophobicContact CG2-CD2 4.14Å; V205-L408 HydrophobicContact CG1-CD2 3.68Å; D404-L408 VanDerWaalsContact O-CB 3.24Å; D404-L408 WeakPolarHBondContact O-CB 3.2Å; D404-L408 PolarHBondContact O-N 2.96Å; A405-L408 PolarHBondContact O-N 3.33Å; V406-L408 VanDerWaalsContact C-N 3.34Å; V406-L408 PolarHBondContact O-N 3.06Å; L408-S412 VanDerWaalsContact O-CB 3.24Å; L408-S412 WeakPolarHBondContact O-CB 3.23Å; L408-S412 PolarHBondContact O-N 2.88Å; L408-S412 PolarHBondContact O-OG 3.24Å; L408-I444 HydrophobicContact CD2-CG2 4.17Å; L408-I444 HydrophobicContact CG-CG2 4.47Å; L408-F449 HydrophobicContact CB-CE1 3.79Å; L408-F449 HydrophobicContact CB-CZ 4.05Å; L408-F449 HydrophobicContact CD1-CE1 3.87Å; L408-F449 HydrophobicContact CG-CE1 4.44Å; L408-L459 HydrophobicContact CD2-CD1 3.9Å; L408-L459 HydrophobicContact CD2-CG 4.34Å
409	F	97.4	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.6	-50	172.9	170.3	-91.1	0	0	0	111.3	I53 I55 L106 A158 A159 I161 I184 A405 V406 Y407 H411 S412 L413 L440	I53-F409 HydrophobicContact CG2-CZ 4.26Å; I55-F409 HydrophobicContact CD1-CD1 3.34Å; I55-F409 HydrophobicContact CD1-CE1 3.23Å; I55-F409 HydrophobicContact CD1-CG 4.28Å; I55-F409 HydrophobicContact CD1-CZ 4.07Å; I55-F409 HydrophobicContact CG1-CD1 3.94Å; I55-F409 HydrophobicContact CG1-CE1 3.45Å; I55-F409 VanDerWaalsContact CG1-CE1 3.45Å; I55-F409 HydrophobicContact CG1-CZ 3.76Å; L106-F409 HydrophobicContact CD2-CE1 4.11Å; A158-F409 HydrophobicContact CB-CE2 4.12Å; A158-F409 HydrophobicContact CB-CZ 4.04Å; A159-F409 HydrophobicContact CB-CD2 3.5Å; A159-F409 HydrophobicContact CB-CE2 3.49Å; A159-F409 VanDerWaalsContact CB-CE2 3.49Å; I161-F409 HydrophobicContact CD1-CB 4.37Å; I184-F409 HydrophobicContact CD1-CB 4.04Å; A405-F409 PolarHBondContact O-N 3.27Å; A405-F409 VanDerWaalsContact O-N 3.12Å; V406-F409 WeakPolarHBondContact O-CB 2.85Å; V406-F409 PolarHBondContact O-N 3.34Å; Y407-F409 VanDerWaalsContact C-N 3.32Å; Y407-F409 PolarHBondContact O-N 3.38Å; F409-H411 PolarHBondContact O-N 3.12Å; F409-S412 WeakPolarHBondContact O-CB 3.46Å; F409-S412 PolarHBondContact O-N 3.15Å; F409-L413 HydrophobicContact CE1-CB 4.39Å; F409-L413 HydrophobicContact CE1-CD2 3.69Å; F409-L413 HydrophobicContact CZ-CB 4.49Å; F409-L413 HydrophobicContact CZ-CD2 3.86Å; F409-L413 WeakPolarHBondContact O-CB 3.48Å; F409-L413 PolarHBondContact O-N 3.24Å; F409-L440 HydrophobicContact CD2-CD2 4.28Å; F409-L440 HydrophobicContact CE2-CD2 3.78Å
410	A	97.4	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-44.4	-175.9	0	0	0	0	0	112.9	I94 L100 L101 L106 V406 Y407 S412 L413 H414	I94-A410 HydrophobicContact CD1-CB 3.75Å; I94-A410 HydrophobicContact CG1-CB 4.33Å; I94-A410 HydrophobicContact CG2-CB 4.1Å; L100-A410 HydrophobicContact CD2-CB 3.9Å; L100-A410 HydrophobicContact CG-CB 4.29Å; L101-A410 HydrophobicContact CD1-CB 4.03Å; L106-A410 HydrophobicContact CD1-CB 4.41Å; V406-A410 PolarHBondContact O-N 3Å; Y407-A410 PolarHBondContact O-N 3.36Å; A410-S412 VanDerWaalsContact C-N 3.34Å; A410-S412 PolarHBondContact O-N 3.38Å; A410-L413 PolarHBondContact O-N 3.18Å; A410-H414 VanDerWaalsContact O-CB 3.24Å; A410-H414 WeakPolarHBondContact O-CB 3.07Å; A410-H414 PolarHBondContact O-N 3.18Å
411	H	97.1	Very high	94.8	Very high	54 Å²	54	26.8 Å²	26.8	25%	0.25	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-37.7	174.6	-75.8	-68.7	0	0	0	112.4	Y407 F409 H414 R415 V447 F449	Y407-H411 WeakPolarHBondContact O-CB 3.34Å; Y407-H411 PolarHBondContact O-CD2 3.37Å; Y407-H411 PolarHBondContact O-N 3.48Å; F409-H411 PolarHBondContact O-N 3.12Å; H411-H414 PolarHBondContact O-N 3.25Å; H411-R415 WeakPolarHBondContact O-CB 3.32Å; H411-R415 PolarHBondContact O-N 2.83Å; H411-V447 HydrophobicContact CB-CG1 3.71Å; H411-F449 AromaticContact CD2-CD1 3.82Å; H411-F449 AromaticContact CD2-CD2 3.51Å; H411-F449 AromaticContact CD2-CG 3.4Å; H411-F449 VanDerWaalsContact CD2-CG 3.4Å; H411-F449 WeakPolarHBondContact CD2-CG 3.23Å; H411-F449 AromaticContact NE2-CD2 3.6Å; H411-F449 AromaticContact NE2-CG 3.75Å
412	S	96.4	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-44.7	176.6	-59	0	0	0	0	111.9	L408 F409 A410 R415 L416 I444	L408-S412 VanDerWaalsContact O-CB 3.24Å; L408-S412 WeakPolarHBondContact O-CB 3.23Å; L408-S412 PolarHBondContact O-N 2.88Å; L408-S412 PolarHBondContact O-OG 3.24Å; F409-S412 WeakPolarHBondContact O-CB 3.46Å; F409-S412 PolarHBondContact O-N 3.15Å; A410-S412 VanDerWaalsContact C-N 3.34Å; A410-S412 PolarHBondContact O-N 3.38Å; S412-R415 PolarHBondContact O-N 3.16Å; S412-L416 WeakPolarHBondContact O-CB 3.49Å; S412-L416 PolarHBondContact O-N 2.9Å; S412-I444 VanDerWaalsContact OG-CA 3.25Å; S412-I444 WeakPolarHBondContact OG-CA 3.31Å; S412-I444 PolarHBondContact OG-N 2.98Å
413	L	95.3	Very high	93.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-44.3	175.1	178	62.1	0	0	0	111.1	I53 L101 L106 F409 A410 R415 L416 L417 I435 L440	I53-L413 HydrophobicContact CD1-CD1 4.06Å; I53-L413 HydrophobicContact CD1-CD2 3.57Å; I53-L413 HydrophobicContact CD1-CG 4.27Å; I53-L413 HydrophobicContact CG2-CD2 4.24Å; L101-L413 HydrophobicContact CD1-CD2 3.92Å; L101-L413 HydrophobicContact CD2-CB 4.35Å; L101-L413 HydrophobicContact CD2-CD2 4.06Å; L101-L413 HydrophobicContact CD2-CG 3.91Å; L106-L413 HydrophobicContact CD2-CD2 4.01Å; F409-L413 HydrophobicContact CE1-CB 4.39Å; F409-L413 HydrophobicContact CE1-CD2 3.69Å; F409-L413 HydrophobicContact CZ-CB 4.49Å; F409-L413 HydrophobicContact CZ-CD2 3.86Å; F409-L413 WeakPolarHBondContact O-CB 3.48Å; F409-L413 PolarHBondContact O-N 3.24Å; A410-L413 PolarHBondContact O-N 3.18Å; L413-R415 VanDerWaalsContact C-N 3.3Å; L413-R415 PolarHBondContact O-N 3.23Å; L413-L416 HydrophobicContact CD1-CD2 4.45Å; L413-L416 WeakPolarHBondContact O-CB 3.49Å; L413-L416 PolarHBondContact O-N 3.29Å; L413-L417 HydrophobicContact CD1-CD1 4.16Å; L413-L417 HydrophobicContact CD1-CG 4.2Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.45Å; L413-L417 WeakPolarHBondContact O-CB 3.43Å; L413-L417 VanDerWaalsContact O-CG 3.24Å; L413-L417 WeakPolarHBondContact O-CG 3.46Å; L413-L417 PolarHBondContact O-N 2.99Å; L413-I435 HydrophobicContact CD1-CD1 4.02Å; L413-L440 HydrophobicContact CB-CD1 4.38Å
414	H	94.6	Very high	92.7	Very high	42 Å²	42	42.8 Å²	42.8	19%	0.194	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-44.5	177.2	-176.5	82.8	0	0	0	110.9	Q99 L100 L101 A410 H411 L417 L418	Q99-H414 PolarHBondContact O-CE1 3.01Å; Q99-H414 VanDerWaalsContact O-CE1 3.25Å; L100-H414 HydrophobicContact CD1-CB 3.75Å; L101-H414 HydrophobicContact CD2-CB 3.75Å; L101-H414 HydrophobicContact CG-CB 4.22Å; L101-H414 PolarHBondContact N-ND1 3.44Å; L101-H414 VanDerWaalsContact N-ND1 3.18Å; A410-H414 VanDerWaalsContact O-CB 3.24Å; A410-H414 WeakPolarHBondContact O-CB 3.07Å; A410-H414 PolarHBondContact O-N 3.18Å; H411-H414 PolarHBondContact O-N 3.25Å; H414-L417 PolarHBondContact O-N 3.09Å; H414-L418 WeakPolarHBondContact NE2-CD1 3.46Å; H414-L418 WeakPolarHBondContact O-CG 3.43Å; H414-L418 PolarHBondContact O-N 2.95Å
415	R	94.3	Very high	92.1	Very high	127 Å²	127	46.2 Å²	46.2	48%	0.479	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-42.2	176.8	-167.7	70	-161.2	-167.2	0.6	112.7	H411 S412 L413 L417 L418 D419 Y443 V447	H411-R415 WeakPolarHBondContact O-CB 3.32Å; H411-R415 PolarHBondContact O-N 2.83Å; S412-R415 PolarHBondContact O-N 3.16Å; L413-R415 VanDerWaalsContact C-N 3.3Å; L413-R415 PolarHBondContact O-N 3.23Å; R415-L417 VanDerWaalsContact C-N 3.28Å; R415-L417 PolarHBondContact O-N 3.22Å; R415-L418 PolarHBondContact O-N 2.85Å; R415-D419 IonicContact CZ-OD1 3.85Å; R415-D419 IonicContact NE-OD1 2.81Å; R415-D419 PolarHBondContact NE-OD1 2.91Å; R415-D419 IonicContact NE-OD2 2.79Å; R415-D419 IonicContact NH2-OD1 3.73Å; R415-D419 PolarHBondContact NH2-OD1 2.78Å; R415-D419 PolarHBondContact O-N 2.86Å; R415-Y443 HydrophobicContact CB-CD1 3.8Å; R415-Y443 HydrophobicContact CB-CE1 4.18Å; R415-Y443 HydrophobicContact CG-CD1 3.54Å; R415-Y443 HydrophobicContact CG-CE1 3.57Å; R415-V447 HydrophobicContact CB-CG2 4.27Å
416	L	93.8	Very high	91.5	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-43.8	173.7	177.5	71.1	0	0	0	111.2	S412 L413 D419 N420 V431 I435 A439 L440 Y443	S412-L416 WeakPolarHBondContact O-CB 3.49Å; S412-L416 PolarHBondContact O-N 2.9Å; L413-L416 HydrophobicContact CD1-CD2 4.45Å; L413-L416 WeakPolarHBondContact O-CB 3.49Å; L413-L416 PolarHBondContact O-N 3.29Å; L416-D419 PolarHBondContact O-N 3.45Å; L416-N420 WeakPolarHBondContact CD1-ND2 3.38Å; L416-N420 WeakPolarHBondContact O-CB 3.09Å; L416-N420 PolarHBondContact O-N 2.8Å; L416-N420 VanDerWaalsContact O-N 3.14Å; L416-N420 PolarHBondContact O-ND2 3.41Å; L416-V431 HydrophobicContact CD2-CG1 4.31Å; L416-I435 HydrophobicContact CD2-CG2 4.05Å; L416-A439 HydrophobicContact CD1-CB 4.1Å; L416-L440 HydrophobicContact CD2-CB 4.28Å; L416-L440 HydrophobicContact CD2-CD1 4.15Å; L416-Y443 HydrophobicContact CB-CD2 3.87Å; L416-Y443 HydrophobicContact CB-CE2 4Å; L416-Y443 HydrophobicContact CB-CG 4.38Å; L416-Y443 HydrophobicContact CD1-CD2 3.74Å; L416-Y443 HydrophobicContact CD1-CE2 3.35Å; L416-Y443 HydrophobicContact CG-CD2 4.39Å; L416-Y443 HydrophobicContact CG-CE2 4.29Å
417	L	92	Very high	90.8	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-70.6	-39.8	179.3	-68.1	171.8	0	0	0	112.2	L101 I104 L413 H414 R415 D419 N420 C421 F426 V431	L101-L417 HydrophobicContact CD2-CD1 3.71Å; I104-L417 HydrophobicContact CD1-CD1 3.4Å; I104-L417 VanDerWaalsContact CD1-CD1 3.4Å; L413-L417 HydrophobicContact CD1-CD1 4.16Å; L413-L417 HydrophobicContact CD1-CG 4.2Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.45Å; L413-L417 WeakPolarHBondContact O-CB 3.43Å; L413-L417 VanDerWaalsContact O-CG 3.24Å; L413-L417 WeakPolarHBondContact O-CG 3.46Å; L413-L417 PolarHBondContact O-N 2.99Å; H414-L417 PolarHBondContact O-N 3.09Å; R415-L417 VanDerWaalsContact C-N 3.28Å; R415-L417 PolarHBondContact O-N 3.22Å; L417-D419 VanDerWaalsContact C-N 3.3Å; L417-D419 PolarHBondContact O-N 3.14Å; L417-N420 PolarHBondContact O-N 3.35Å; L417-C421 WeakPolarHBondContact O-CA 3.43Å; L417-C421 WeakPolarHBondContact O-CB 3.28Å; L417-C421 PolarHBondContact O-N 2.88Å; L417-F426 HydrophobicContact CD1-CD2 4.47Å; L417-F426 HydrophobicContact CD2-CD2 3.92Å; L417-F426 HydrophobicContact CD2-CE2 3.84Å; L417-V431 HydrophobicContact CD2-CB 4.06Å; L417-V431 HydrophobicContact CD2-CG1 3.7Å
418	L	90.6	Very high	90.1	Very high	67 Å²	67	60 Å²	60	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-42.3	174	-75.7	178.7	0	0	0	111.6	H414 R415 Y422	H414-L418 WeakPolarHBondContact NE2-CD1 3.46Å; H414-L418 WeakPolarHBondContact O-CG 3.43Å; H414-L418 PolarHBondContact O-N 2.95Å; R415-L418 PolarHBondContact O-N 2.85Å; L418-Y422 WeakPolarHBondContact O-CB 3.33Å
419	D	91.5	Very high	89.6	Confident	79 Å²	79	60.3 Å²	60.3	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-74.9	-24.2	-177.5	-69.4	-5.8	0	0	0	112.7	R415 L416 L417 Y443	R415-D419 IonicContact CZ-OD1 3.85Å; R415-D419 IonicContact NE-OD1 2.81Å; R415-D419 PolarHBondContact NE-OD1 2.91Å; R415-D419 IonicContact NE-OD2 2.79Å; R415-D419 IonicContact NH2-OD1 3.73Å; R415-D419 PolarHBondContact NH2-OD1 2.78Å; R415-D419 PolarHBondContact O-N 2.86Å; L416-D419 PolarHBondContact O-N 3.45Å; L417-D419 VanDerWaalsContact C-N 3.3Å; L417-D419 PolarHBondContact O-N 3.14Å; D419-Y443 WeakPolarHBondContact CB-OH 3.41Å; D419-Y443 WeakPolarHBondContact OD2-CE1 3.41Å; D419-Y443 VanDerWaalsContact OD2-CZ 3.3Å; D419-Y443 PolarHBondContact OD2-OH 3.19Å
420	N	90.2	Very high	88.9	Confident	96 Å²	96	66.1 Å²	66.1	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-115.1	-20.3	-173.7	-68.1	-78.8	0	0	0	115.8	L416 L417 V431	L416-N420 WeakPolarHBondContact CD1-ND2 3.38Å; L416-N420 WeakPolarHBondContact O-CB 3.09Å; L416-N420 PolarHBondContact O-N 2.8Å; L416-N420 VanDerWaalsContact O-N 3.14Å; L416-N420 PolarHBondContact O-ND2 3.41Å; L417-N420 PolarHBondContact O-N 3.35Å; N420-V431 HydrophobicContact CB-CG2 3.71Å
421	C	87.7	Confident	88.2	Confident	13 Å²	13	67 Å²	67	9%	0.088	35%	0.345	C	S	.	.	H	α-helix	trans	-122.7	15.2	-173.5	-52.1	0	0	0	0	112.8	L417 G423 V424 C429	L417-C421 WeakPolarHBondContact O-CA 3.43Å; L417-C421 WeakPolarHBondContact O-CB 3.28Å; L417-C421 PolarHBondContact O-N 2.88Å; C421-G423 PolarHBondContact O-N 2.95Å; C421-G423 VanDerWaalsContact O-N 3.14Å; C421-V424 PolarHBondContact O-N 2.95Å; C421-C429 VanDerWaalsContact CA-SG 3.56Å; C421-C429 HydrophobicContact CB-CB 3.63Å; C421-C429 WeakPolarHBondContact CB-SG 3.39Å; C421-C429 WeakPolarHBondContact SG-CB 3.49Å; C421-C429 CovalentContact SG-SG 2.02Å; C421-C429 PolarHBondContact SG-SG 2.85Å
422	Y	81.9	Confident	87.4	Confident	199 Å²	199	66.3 Å²	66.3	78%	0.78	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	120.5	-176.1	-167.3	-98.3	0	0	0	112	L418 V424	L418-Y422 WeakPolarHBondContact O-CB 3.33Å; Y422-V424 VanDerWaalsContact C-N 3.32Å; Y422-V424 PolarHBondContact O-N 2.01Å
423	G	78.8	Confident	86.4	Confident	78 Å²	78	73.2 Å²	73.2	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	2.4	179.5	0	0	0	0	0	116	C421	C421-G423 PolarHBondContact O-N 2.95Å; C421-G423 VanDerWaalsContact O-N 3.14Å
424	V	82.8	Confident	85.7	Confident	67 Å²	67	78.5 Å²	78.5	41%	0.406	40%	0.4	S	S	.	.	S	Bend	trans	-114.8	130.1	-179.8	-177.4	0	0	0	0	110	C421 Y422 F426 Q428	C421-V424 PolarHBondContact O-N 2.95Å; Y422-V424 VanDerWaalsContact C-N 3.32Å; Y422-V424 PolarHBondContact O-N 2.01Å; V424-F426 PolarHBondContact O-N 2.89Å; V424-Q428 HydrophobicContact CG1-CB 3.67Å
425	P	83.9	Confident	85.4	Confident	77 Å²	77	77.8 Å²	77.8	50%	0.5	40%	0.398	S	S	.	.			trans	-54.1	138.3	173.7	-24.9	33.7	0	0	0	111.4	K427 Q428 C429	P425-K427 VanDerWaalsContact C-N 3.28Å; P425-K427 PolarHBondContact O-N 3.27Å; P425-K427 VanDerWaalsContact O-N 3.1Å; P425-Q428 WeakPolarHBondContact O-CA 3.35Å; P425-Q428 WeakPolarHBondContact O-CB 3.08Å; P425-Q428 PolarHBondContact O-N 3.17Å; P425-C429 PolarHBondContact O-N 3.39Å
426	F	84.3	Confident	85.2	Confident	24 Å²	24	74.9 Å²	74.9	11%	0.105	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-48.6	-47.4	-172.9	174.5	-110.5	0	0	0	113.2	D52 I53 I104 L417 V424 Q428 C429 S432	D52-F426 HydrophobicContact CB-CE1 3.99Å; I53-F426 HydrophobicContact CD1-CE1 4.46Å; I53-F426 HydrophobicContact CD1-CE2 3.9Å; I53-F426 HydrophobicContact CD1-CZ 3.6Å; I53-F426 HydrophobicContact CG1-CE1 4.32Å; I53-F426 HydrophobicContact CG1-CE2 4.48Å; I53-F426 HydrophobicContact CG1-CZ 3.7Å; I104-F426 HydrophobicContact CD1-CB 3.88Å; I104-F426 HydrophobicContact CD1-CD1 4.32Å; I104-F426 HydrophobicContact CD1-CD2 3.55Å; I104-F426 HydrophobicContact CD1-CE2 4.17Å; I104-F426 HydrophobicContact CD1-CG 3.64Å; I104-F426 HydrophobicContact CG1-CB 3.85Å; I104-F426 HydrophobicContact CG1-CD1 4.06Å; I104-F426 HydrophobicContact CG1-CD2 4.19Å; I104-F426 HydrophobicContact CG1-CG 3.76Å; I104-F426 HydrophobicContact CG2-CE1 4.49Å; L417-F426 HydrophobicContact CD1-CD2 4.47Å; L417-F426 HydrophobicContact CD2-CD2 3.92Å; L417-F426 HydrophobicContact CD2-CE2 3.84Å; V424-F426 PolarHBondContact O-N 2.89Å; F426-Q428 PolarHBondContact O-N 2.93Å; F426-C429 WeakPolarHBondContact O-CB 3.47Å; F426-C429 PolarHBondContact O-N 2.92Å; F426-S432 VanDerWaalsContact CZ-CB 3.47Å; F426-S432 WeakPolarHBondContact O-CB 3.27Å; F426-S432 PolarHBondContact O-OG 3.41Å; F426-S432 VanDerWaalsContact O-OG 3.14Å
427	K	82.1	Confident	85.1	Confident	171 Å²	171	75 Å²	75	74%	0.743	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-59	-20.5	179.6	-64.3	-173.8	179.2	-178.7	0	114.7	P425	P425-K427 VanDerWaalsContact C-N 3.28Å; P425-K427 PolarHBondContact O-N 3.27Å; P425-K427 VanDerWaalsContact O-N 3.1Å
428	Q	83.3	Confident	85.2	Confident	143 Å²	143	79 Å²	79	67%	0.668	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-98.2	-14.3	177.2	-63.2	177.2	8.6	0	0	112.4	V424 P425 F426	V424-Q428 HydrophobicContact CG1-CB 3.67Å; P425-Q428 WeakPolarHBondContact O-CA 3.35Å; P425-Q428 WeakPolarHBondContact O-CB 3.08Å; P425-Q428 PolarHBondContact O-N 3.17Å; F426-Q428 PolarHBondContact O-N 2.93Å
429	C	86.4	Confident	85.3	Confident	8 Å²	8	77.3 Å²	77.3	5%	0.054	41%	0.408	C	S	.	.	S	Bend	trans	-74.4	139.9	177.5	-172.7	0	0	0	0	111.4	C421 P425 F426 V431 S432	C421-C429 VanDerWaalsContact CA-SG 3.56Å; C421-C429 HydrophobicContact CB-CB 3.63Å; C421-C429 WeakPolarHBondContact CB-SG 3.39Å; C421-C429 WeakPolarHBondContact SG-CB 3.49Å; C421-C429 CovalentContact SG-SG 2.02Å; C421-C429 PolarHBondContact SG-SG 2.85Å; P425-C429 PolarHBondContact O-N 3.39Å; F426-C429 WeakPolarHBondContact O-CB 3.47Å; F426-C429 PolarHBondContact O-N 2.92Å; C429-V431 PolarHBondContact O-N 3.47Å; C429-S432 WeakPolarHBondContact O-CB 3.34Å; C429-S432 PolarHBondContact O-N 3.35Å; C429-S432 PolarHBondContact O-OG 2.82Å
430	N	81.7	Confident	85.5	Confident	123 Å²	123	73.6 Å²	73.6	66%	0.658	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-60.4	-30.4	177.9	-79.1	-24.3	0	0	0	113.2	S432 K433	N430-S432 PolarHBondContact O-N 2.92Å; N430-K433 PolarHBondContact O-N 2.93Å; N430-K433 VanDerWaalsContact O-N 3.11Å
431	V	84.1	Confident	85.7	Confident	19 Å²	19	69.6 Å²	69.6	12%	0.115	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-61.1	-27.8	176.2	-177	0	0	0	0	111.9	L416 L417 N420 C429 K433 H434 I435	L416-V431 HydrophobicContact CD2-CG1 4.31Å; L417-V431 HydrophobicContact CD2-CB 4.06Å; L417-V431 HydrophobicContact CD2-CG1 3.7Å; N420-V431 HydrophobicContact CB-CG2 3.71Å; C429-V431 PolarHBondContact O-N 3.47Å; V431-K433 PolarHBondContact O-N 3.43Å; V431-H434 CarbonylContact O-C 3.35Å; V431-H434 PolarHBondContact O-N 2.88Å; V431-I435 HydrophobicContact CG1-CG1 4.05Å
432	S	78.9	Confident	86.1	Confident	39 Å²	39	76.2 Å²	76.2	27%	0.273	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-68.2	-22.1	177.6	70.6	0	0	0	0	114	F426 C429 N430	F426-S432 VanDerWaalsContact CZ-CB 3.47Å; F426-S432 WeakPolarHBondContact O-CB 3.27Å; F426-S432 PolarHBondContact O-OG 3.41Å; F426-S432 VanDerWaalsContact O-OG 3.14Å; C429-S432 WeakPolarHBondContact O-CB 3.34Å; C429-S432 PolarHBondContact O-N 3.35Å; C429-S432 PolarHBondContact O-OG 2.82Å; N430-S432 PolarHBondContact O-N 2.92Å
433	K	76.8	Confident	86.7	Confident	145 Å²	145	68.9 Å²	68.9	63%	0.63	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-38.3	177.9	-64.2	177.3	-178.6	167	0	111.6	M134 N430 V431	M134-K433 WeakPolarHBondContact CE-O 3.35Å; N430-K433 PolarHBondContact O-N 2.93Å; N430-K433 VanDerWaalsContact O-N 3.11Å; V431-K433 PolarHBondContact O-N 3.43Å
434	H	80.9	Confident	87.5	Confident	111 Å²	111	65.2 Å²	65.2	51%	0.514	33%	0.327	S	S	.	.			trans	-157.3	120.9	-179.8	-177.5	67.6	0	0	0	109.6	M134 V431	M134-H434 HydrophobicContact CE-CB 4.28Å; V431-H434 CarbonylContact O-C 3.35Å; V431-H434 PolarHBondContact O-N 2.88Å
435	I	88.1	Confident	88.1	Confident	26 Å²	26	64.6 Å²	64.6	13%	0.133	32%	0.318	C	S	.	.			trans	-87.3	112.4	173.2	-62.4	170.5	0	0	0	107.1	I53 A158 L413 L416 V431 G437 L440	I53-I435 HydrophobicContact CB-CD1 4.45Å; I53-I435 HydrophobicContact CD1-CD1 3.81Å; I53-I435 HydrophobicContact CG1-CD1 3.95Å; I53-I435 HydrophobicContact CG2-CD1 3.66Å; A158-I435 HydrophobicContact CB-CD1 3.84Å; L413-I435 HydrophobicContact CD1-CD1 4.02Å; L416-I435 HydrophobicContact CD2-CG2 4.05Å; V431-I435 HydrophobicContact CG1-CG1 4.05Å; I435-G437 PolarHBondContact O-N 3.48Å; I435-L440 HydrophobicContact CG2-CB 4.31Å; I435-L440 HydrophobicContact CG2-CD2 4.12Å
436	D	89.7	Confident	88.5	Confident	67 Å²	67	65.6 Å²	65.6	36%	0.358	32%	0.322	S	S	.	.			trans	-68	112.9	173.3	176.9	13.4	0	0	0	109.7	E438 A439 L440	D436-E438 PolarHBondContact O-N 3.22Å; D436-E438 WeakPolarHBondContact OD1-CB 3.29Å; D436-E438 PolarHBondContact OD1-N 3.46Å; D436-A439 HydrophobicContact CB-CB 4.01Å; D436-A439 PolarHBondContact O-N 2.97Å; D436-L440 PolarHBondContact O-N 3.36Å
437	G	91.8	Very high	89	Confident	7 Å²	7	65.5 Å²	65.5	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-26.1	-179.1	0	0	0	0	0	113.5	K180 P182 I435 L441	K180-G437 VanDerWaalsContact O-CA 3.3Å; K180-G437 WeakPolarHBondContact O-CA 3.35Å; P182-G437 VanDerWaalsContact CG-O 3.23Å; P182-G437 WeakPolarHBondContact CG-O 3.49Å; I435-G437 PolarHBondContact O-N 3.48Å; G437-L441 VanDerWaalsContact O-CB 3.23Å; G437-L441 WeakPolarHBondContact O-CB 3.43Å; G437-L441 PolarHBondContact O-N 2.96Å
438	E	93.3	Very high	89.6	Confident	100 Å²	100	64 Å²	64	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-71.1	-43.3	175.4	-170.2	166.5	-178.2	0	0	111.1	K180 Y201 D436 L441 K442	K180-E438 IonicContact NZ-OE2 2.8Å; K180-E438 PolarHBondContact NZ-OE2 3.22Å; Y201-E438 HydrophobicContact CE1-CB 4.38Å; D436-E438 PolarHBondContact O-N 3.22Å; D436-E438 WeakPolarHBondContact OD1-CB 3.29Å; D436-E438 PolarHBondContact OD1-N 3.46Å; E438-L441 PolarHBondContact O-N 3.38Å; E438-K442 PolarHBondContact O-N 3.37Å
439	A	93.8	Very high	90.1	Very high	32 Å²	32	58 Å²	58	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-48.4	171.7	0	0	0	0	0	111.4	L416 D436 L441 K442 Y443	L416-A439 HydrophobicContact CD1-CB 4.1Å; D436-A439 HydrophobicContact CB-CB 4.01Å; D436-A439 PolarHBondContact O-N 2.97Å; A439-L441 VanDerWaalsContact C-N 3.31Å; A439-L441 PolarHBondContact O-N 3.13Å; A439-K442 WeakPolarHBondContact O-CB 3.42Å; A439-K442 PolarHBondContact O-N 3.45Å; A439-K442 VanDerWaalsContact O-N 3.16Å; A439-Y443 WeakPolarHBondContact O-CD2 3.44Å
440	L	95.1	Very high	90.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-40.9	178.7	-179.1	62.1	0	0	0	112.1	A159 P182 F409 L413 L416 I435 D436 K442 Y443 I444	A159-L440 HydrophobicContact CB-CD2 4.42Å; P182-L440 HydrophobicContact CG-CD2 4.38Å; F409-L440 HydrophobicContact CD2-CD2 4.28Å; F409-L440 HydrophobicContact CE2-CD2 3.78Å; L413-L440 HydrophobicContact CB-CD1 4.38Å; L416-L440 HydrophobicContact CD2-CB 4.28Å; L416-L440 HydrophobicContact CD2-CD1 4.15Å; I435-L440 HydrophobicContact CG2-CB 4.31Å; I435-L440 HydrophobicContact CG2-CD2 4.12Å; D436-L440 PolarHBondContact O-N 3.36Å; L440-K442 VanDerWaalsContact C-N 3.26Å; L440-K442 PolarHBondContact O-N 3.19Å; L440-Y443 PolarHBondContact O-N 3.5Å; L440-Y443 VanDerWaalsContact O-N 3.08Å; L440-I444 HydrophobicContact CD2-CD1 4.44Å; L440-I444 HydrophobicContact CG-CD1 3.97Å; L440-I444 HydrophobicContact CG-CG1 4.42Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 3.4Å
441	L	94.9	Very high	90.7	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-36.2	178	-178.5	68.1	0	0	0	112.8	P182 G200 Y201 G437 E438 A439 Y443 I444 R445	P182-L441 HydrophobicContact CB-CD1 4.32Å; P182-L441 HydrophobicContact CG-CB 4.23Å; G200-L441 WeakPolarHBondContact O-CD2 3.42Å; Y201-L441 HydrophobicContact CD1-CD2 3.97Å; Y201-L441 HydrophobicContact CE1-CD2 4.31Å; Y201-L441 HydrophobicContact CG-CD2 4.32Å; G437-L441 VanDerWaalsContact O-CB 3.23Å; G437-L441 WeakPolarHBondContact O-CB 3.43Å; G437-L441 PolarHBondContact O-N 2.96Å; E438-L441 PolarHBondContact O-N 3.38Å; A439-L441 VanDerWaalsContact C-N 3.31Å; A439-L441 PolarHBondContact O-N 3.13Å; L441-Y443 VanDerWaalsContact C-N 3.31Å; L441-Y443 PolarHBondContact O-N 3.07Å; L441-I444 PolarHBondContact O-N 3.28Å; L441-R445 PolarHBondContact O-N 2.97Å; L441-R445 VanDerWaalsContact O-N 3.15Å
442	K	94.7	Very high	90.8	Very high	151 Å²	151	57.3 Å²	57.3	66%	0.657	29%	0.288	S	S	*	.	H	α-helix	trans	-61.2	-41.2	175.8	-174	-177.6	176.3	-174.9	0	111.3	E438 A439 L440 R445 T446	E438-K442 PolarHBondContact O-N 3.37Å; A439-K442 WeakPolarHBondContact O-CB 3.42Å; A439-K442 PolarHBondContact O-N 3.45Å; A439-K442 VanDerWaalsContact O-N 3.16Å; L440-K442 VanDerWaalsContact C-N 3.26Å; L440-K442 PolarHBondContact O-N 3.19Å; K442-R445 PolarHBondContact O-N 3.12Å; K442-T446 WeakPolarHBondContact O-CB 3.5Å; K442-T446 PolarHBondContact O-N 3Å; K442-T446 PolarHBondContact O-OG1 3.32Å
443	Y	95.5	Very high	90.8	Very high	45 Å²	45	59.1 Å²	59.1	18%	0.176	29%	0.294	C	S	.	.	H	α-helix	trans	-69.3	-43.4	176.3	-68.9	-80.2	0	0	0	111.6	R415 L416 D419 A439 L440 L441 R445 T446 V447	R415-Y443 HydrophobicContact CB-CD1 3.8Å; R415-Y443 HydrophobicContact CB-CE1 4.18Å; R415-Y443 HydrophobicContact CG-CD1 3.54Å; R415-Y443 HydrophobicContact CG-CE1 3.57Å; L416-Y443 HydrophobicContact CB-CD2 3.87Å; L416-Y443 HydrophobicContact CB-CE2 4Å; L416-Y443 HydrophobicContact CB-CG 4.38Å; L416-Y443 HydrophobicContact CD1-CD2 3.74Å; L416-Y443 HydrophobicContact CD1-CE2 3.35Å; L416-Y443 HydrophobicContact CG-CD2 4.39Å; L416-Y443 HydrophobicContact CG-CE2 4.29Å; D419-Y443 WeakPolarHBondContact CB-OH 3.41Å; D419-Y443 WeakPolarHBondContact OD2-CE1 3.41Å; D419-Y443 VanDerWaalsContact OD2-CZ 3.3Å; D419-Y443 PolarHBondContact OD2-OH 3.19Å; A439-Y443 WeakPolarHBondContact O-CD2 3.44Å; L440-Y443 PolarHBondContact O-N 3.5Å; L440-Y443 VanDerWaalsContact O-N 3.08Å; L441-Y443 VanDerWaalsContact C-N 3.31Å; L441-Y443 PolarHBondContact O-N 3.07Å; Y443-R445 PolarHBondContact O-N 2.91Å; Y443-R445 VanDerWaalsContact O-N 3.11Å; Y443-T446 PolarHBondContact O-N 3.06Å; Y443-V447 WeakPolarHBondContact O-CB 3.47Å; Y443-V447 WeakPolarHBondContact O-CG2 3.36Å; Y443-V447 PolarHBondContact O-N 3.08Å
444	I	95.7	Very high	91.2	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-52.2	-37.1	175.3	-69.5	167.4	0	0	0	111.9	P182 I184 L408 S412 L440 L441 L459	P182-I444 HydrophobicContact CB-CD1 3.7Å; P182-I444 HydrophobicContact CG-CD1 4.25Å; I184-I444 HydrophobicContact CD1-CD1 3.94Å; I184-I444 HydrophobicContact CD1-CG1 4.2Å; I184-I444 HydrophobicContact CD1-CG2 4.12Å; I184-I444 HydrophobicContact CG1-CD1 4.3Å; I184-I444 HydrophobicContact CG1-CG2 4.2Å; L408-I444 HydrophobicContact CD2-CG2 4.17Å; L408-I444 HydrophobicContact CG-CG2 4.47Å; S412-I444 VanDerWaalsContact OG-CA 3.25Å; S412-I444 WeakPolarHBondContact OG-CA 3.31Å; S412-I444 PolarHBondContact OG-N 2.98Å; L440-I444 HydrophobicContact CD2-CD1 4.44Å; L440-I444 HydrophobicContact CG-CD1 3.97Å; L440-I444 HydrophobicContact CG-CG1 4.42Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 3.4Å; L441-I444 PolarHBondContact O-N 3.28Å; I444-L459 HydrophobicContact CG2-CD1 4.23Å
445	R	94.5	Very high	91.4	Very high	55 Å²	55	55.2 Å²	55.2	21%	0.208	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.8	-179.2	-68.2	-177.5	175.6	157.8	3	115.2	G200 F202 L441 K442 Y443	G200-R445 PolarHBondContact O-NH2 2.98Å; F202-R445 PolarHBondContact O-NH2 2.85Å; F202-R445 VanDerWaalsContact O-NH2 3.14Å; L441-R445 PolarHBondContact O-N 2.97Å; L441-R445 VanDerWaalsContact O-N 3.15Å; K442-R445 PolarHBondContact O-N 3.12Å; Y443-R445 PolarHBondContact O-N 2.91Å; Y443-R445 VanDerWaalsContact O-N 3.11Å
446	T	94.1	Very high	91.4	Very high	98 Å²	98	59.1 Å²	59.1	60%	0.601	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-30.6	-172.7	-49.7	0	0	0	0	112.9	K442 Y443	K442-T446 WeakPolarHBondContact O-CB 3.5Å; K442-T446 PolarHBondContact O-N 3Å; K442-T446 PolarHBondContact O-OG1 3.32Å; Y443-T446 PolarHBondContact O-N 3.06Å
447	V	94.5	Very high	91.5	Very high	21 Å²	21	56 Å²	56	13%	0.127	28%	0.284	C	S	.	.			trans	-62.5	144	-178.6	165.8	0	0	0	0	111.1	H411 R415 Y443 F449	H411-V447 HydrophobicContact CB-CG1 3.71Å; R415-V447 HydrophobicContact CB-CG2 4.27Å; Y443-V447 WeakPolarHBondContact O-CB 3.47Å; Y443-V447 WeakPolarHBondContact O-CG2 3.36Å; Y443-V447 PolarHBondContact O-N 3.08Å; V447-F449 HydrophobicContact CG1-CD1 4.24Å
448	K	94.9	Very high	91.5	Very high	139 Å²	139	56.5 Å²	56.5	60%	0.604	29%	0.286	S	S	*	.			trans	-129.9	137.4	171.8	-56.7	-173.9	-179.7	-178.2	0	108.8	I457	K448-I457 WeakPolarHBondContact CA-O 3.34Å
449	F	93.6	Very high	91.5	Very high	18 Å²	18	52.7 Å²	52.7	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164	176	68.8	-78.4	0	0	0	109.4	L408 H411 V447 I457	L408-F449 HydrophobicContact CB-CE1 3.79Å; L408-F449 HydrophobicContact CB-CZ 4.05Å; L408-F449 HydrophobicContact CD1-CE1 3.87Å; L408-F449 HydrophobicContact CG-CE1 4.44Å; H411-F449 AromaticContact CD2-CD1 3.82Å; H411-F449 AromaticContact CD2-CD2 3.51Å; H411-F449 AromaticContact CD2-CG 3.4Å; H411-F449 VanDerWaalsContact CD2-CG 3.4Å; H411-F449 WeakPolarHBondContact CD2-CG 3.23Å; H411-F449 AromaticContact NE2-CD2 3.6Å; H411-F449 AromaticContact NE2-CG 3.75Å; V447-F449 HydrophobicContact CG1-CD1 4.24Å; F449-I457 HydrophobicContact CD1-CB 4.09Å; F449-I457 HydrophobicContact CE1-CB 3.6Å; F449-I457 HydrophobicContact CE1-CG1 4.2Å; F449-I457 HydrophobicContact CE1-CG2 3.67Å; F449-I457 HydrophobicContact CE2-CB 4.27Å; F449-I457 HydrophobicContact CE2-CG1 3.99Å; F449-I457 HydrophobicContact CZ-CB 3.7Å; F449-I457 HydrophobicContact CZ-CG1 3.76Å; F449-I457 HydrophobicContact CZ-CG2 3.86Å; F449-I457 PolarHBondContact N-O 3.48Å; F449-I457 PolarHBondContact O-N 2.85Å
450	N	92.4	Very high	91.4	Very high	108 Å²	108	54.5 Å²	54.5	58%	0.578	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.9	171.7	-70.1	-13.3	0	0	0	108.2
451	G	87.5	Confident	91.1	Very high	14 Å²	14	59.9 Å²	59.9	14%	0.144	31%	0.312	C	S	.	.			trans	-86.6	-152.6	177.2	0	0	0	0	0	111.9	N453 N454 E455	G451-N453 PolarHBondContact O-N 3.05Å; G451-N454 PolarHBondContact O-N 3.36Å; G451-E455 PolarHBondContact N-O 2.89Å
452	T	85.4	Confident	90.9	Very high	13 Å²	13	64.6 Å²	64.6	8%	0.08	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-58.5	134.3	179.8	-45.8	0	0	0	0	110.5	N346 S400 D404 N454	N346-T452 HydrophobicContact CB-CG2 3.9Å; S400-T452 PolarHBondContact O-OG1 2.93Å; D404-T452 WeakPolarHBondContact OD1-CB 3.43Å; D404-T452 PolarHBondContact OD1-N 3.31Å; D404-T452 PolarHBondContact OD1-OG1 2.83Å; T452-N454 VanDerWaalsContact C-N 3.34Å; T452-N454 PolarHBondContact O-N 2.89Å
453	N	80.1	Confident	90.8	Very high	78 Å²	78	57.4 Å²	57.4	42%	0.417	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	63.8	27.4	-176.3	-46.6	-69.9	0	0	0	115.6	G344 V345 G451 E455	G344-N453 WeakPolarHBondContact CA-ND2 3.31Å; G344-N453 PolarHBondContact N-ND2 2.8Å; G344-N453 PolarHBondContact O-ND2 2.83Å; V345-N453 PolarHBondContact O-OD1 2.85Å; V345-N453 VanDerWaalsContact O-OD1 3.11Å; G451-N453 PolarHBondContact O-N 3.05Å; N453-E455 PolarHBondContact O-N 2.77Å
454	N	84.4	Confident	90.7	Very high	139 Å²	139	55.6 Å²	55.6	74%	0.743	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	58.5	25.6	-179.1	-69	-31.2	0	0	0	113.9	G451 T452	G451-N454 PolarHBondContact O-N 3.36Å; T452-N454 VanDerWaalsContact C-N 3.34Å; T452-N454 PolarHBondContact O-N 2.89Å
455	E	84.6	Confident	90.5	Very high	35 Å²	35	56.9 Å²	56.9	16%	0.164	30%	0.299	C	S	.	.			trans	-82	131.8	171.8	-65.5	-159.4	152.8	0	0	110.6	K342 G451 N453 I457 R465	K342-E455 WeakPolarHBondContact CD-OE1 3.17Å; K342-E455 VanDerWaalsContact CE-OE1 3.29Å; K342-E455 WeakPolarHBondContact CE-OE1 3.38Å; G451-E455 PolarHBondContact N-O 2.89Å; N453-E455 PolarHBondContact O-N 2.77Å; E455-I457 PolarHBondContact O-N 3.29Å; E455-R465 IonicContact OE2-NH2 3.15Å; E455-R465 PolarHBondContact OE2-NH2 2.88Å
456	E	89.3	Confident	90.1	Very high	108 Å²	108	62 Å²	62	51%	0.505	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	118.5	174.7	-172.5	-170.6	72.1	0	0	109.9
457	I	91.8	Very high	89.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.1	171.4	-52.2	-56.3	0	0	0	107.8	V205 D404 K448 F449 E455 R465	V205-I457 HydrophobicContact CG1-CG2 4.43Å; D404-I457 HydrophobicContact CB-CD1 4.18Å; D404-I457 HydrophobicContact CB-CG1 4.3Å; D404-I457 WeakPolarHBondContact OD2-CD1 3.5Å; K448-I457 WeakPolarHBondContact CA-O 3.34Å; F449-I457 HydrophobicContact CD1-CB 4.09Å; F449-I457 HydrophobicContact CE1-CB 3.6Å; F449-I457 HydrophobicContact CE1-CG1 4.2Å; F449-I457 HydrophobicContact CE1-CG2 3.67Å; F449-I457 HydrophobicContact CE2-CB 4.27Å; F449-I457 HydrophobicContact CE2-CG1 3.99Å; F449-I457 HydrophobicContact CZ-CB 3.7Å; F449-I457 HydrophobicContact CZ-CG1 3.76Å; F449-I457 HydrophobicContact CZ-CG2 3.86Å; F449-I457 PolarHBondContact N-O 3.48Å; F449-I457 PolarHBondContact O-N 2.85Å; E455-I457 PolarHBondContact O-N 3.29Å; I457-R465 VanDerWaalsContact CD1-NH2 3.28Å
458	S	91.7	Very high	89.3	Confident	18 Å²	18	62.8 Å²	62.8	13%	0.126	32%	0.316	C	S	.	.			trans	-143.9	143.4	172.9	59.9	0	0	0	0	110.7
459	L	94	Very high	89	Confident	20 Å²	20	56.1 Å²	56.1	11%	0.105	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-105.1	148.8	177.6	-55.5	-170	0	0	0	110.6	R204 L408 I444 D464 R465	R204-L459 WeakPolarHBondContact O-CD2 3.44Å; L408-L459 HydrophobicContact CD2-CD1 3.9Å; L408-L459 HydrophobicContact CD2-CG 4.34Å; I444-L459 HydrophobicContact CG2-CD1 4.23Å; L459-D464 WeakPolarHBondContact CA-O 3.38Å; L459-R465 HydrophobicContact CD2-CB 4.26Å
460	D	91.2	Very high	88.8	Confident	70 Å²	70	56.5 Å²	56.5	37%	0.374	29%	0.29	S	S	.	.			trans	-81.1	-177	172.1	74.1	4.1	0	0	0	112.4	K462 G463 D464	D460-K462 PolarHBondContact O-N 3.01Å; D460-K462 VanDerWaalsContact O-N 3.12Å; D460-K462 WeakPolarHBondContact OD1-CA 3.3Å; D460-K462 WeakPolarHBondContact OD1-CB 3.47Å; D460-K462 PolarHBondContact OD1-N 3.38Å; D460-G463 PolarHBondContact O-N 2.77Å; D460-G463 PolarHBondContact OD1-N 3.03Å; D460-D464 PolarHBondContact N-O 2.99Å; D460-D464 PolarHBondContact OD1-N 3.4Å
461	S	87.6	Confident	88.6	Confident	113 Å²	113	51.4 Å²	51.4	79%	0.79	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.7	177.5	57.7	0	0	0	0	113.8
462	K	91	Very high	88.7	Confident	113 Å²	113	52.4 Å²	52.4	49%	0.491	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	15.2	172.7	-58.5	-173.4	-179.1	-176.6	0	111.9	K196 D460 D464	K196-K462 WeakPolarHBondContact CE-O 3.38Å; K196-K462 PolarHBondContact NZ-O 3.08Å; D460-K462 PolarHBondContact O-N 3.01Å; D460-K462 VanDerWaalsContact O-N 3.12Å; D460-K462 WeakPolarHBondContact OD1-CA 3.3Å; D460-K462 WeakPolarHBondContact OD1-CB 3.47Å; D460-K462 PolarHBondContact OD1-N 3.38Å; K462-D464 PolarHBondContact O-N 2.85Å
463	G	92.4	Very high	88.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	61.2	27.1	178	0	0	0	0	0	113.5	S203 R204 D460	S203-G463 WeakPolarHBondContact CA-O 3.44Å; R204-G463 PolarHBondContact N-O 3.42Å; D460-G463 PolarHBondContact O-N 2.77Å; D460-G463 PolarHBondContact OD1-N 3.03Å
464	D	93.3	Very high	89.1	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.032	24%	0.241	C	C	.	.			trans	-109.8	140.7	-178.9	-67.7	-39.2	0	0	0	110.7	S194 R204 P208 L459 D460 K462	S194-D464 WeakPolarHBondContact CB-OD2 3.02Å; S194-D464 PolarHBondContact OG-OD2 2.96Å; R204-D464 IonicContact CZ-OD1 3.22Å; R204-D464 IonicContact NE-OD1 3.57Å; R204-D464 PolarHBondContact NE-OD1 3.04Å; R204-D464 VanDerWaalsContact NH2-CG 3.34Å; R204-D464 IonicContact NH2-OD1 3.3Å; R204-D464 PolarHBondContact NH2-OD1 3.27Å; R204-D464 IonicContact NH2-OD2 3.54Å; R204-D464 PolarHBondContact NH2-OD2 3.38Å; P208-D464 HydrophobicContact CG-CB 4.42Å; L459-D464 WeakPolarHBondContact CA-O 3.38Å; D460-D464 PolarHBondContact N-O 2.99Å; D460-D464 PolarHBondContact OD1-N 3.4Å; K462-D464 PolarHBondContact O-N 2.85Å
465	R	91.3	Very high	88.8	Confident	28 Å²	28	44.9 Å²	44.9	11%	0.106	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-78.4	147	173.5	-169.3	177.4	177.4	-175.2	-5.9	110.7	V205 D404 E455 I457 L459	V205-R465 WeakPolarHBondContact O-CD 3.25Å; V205-R465 PolarHBondContact O-NH1 3.49Å; D404-R465 IonicContact OD2-NH1 3.81Å; E455-R465 IonicContact OE2-NH2 3.15Å; E455-R465 PolarHBondContact OE2-NH2 2.88Å; I457-R465 VanDerWaalsContact CD1-NH2 3.28Å; L459-R465 HydrophobicContact CD2-CB 4.26Å
466	K	86.4	Confident	87.8	Confident	163 Å²	163	46.3 Å²	46.3	71%	0.709	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-60.6	143.1	171.3	-69.4	-177.8	-179	173.6	0	111.4
467	A	84.5	Confident	86.4	Confident	16 Å²	16	49 Å²	49	13%	0.132	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-85.5	131.4	-174.8	0	0	0	0	0	113.7	P207 F211 Y469 W487	P207-A467 HydrophobicContact CB-CB 3.61Å; P207-A467 HydrophobicContact CG-CB 4.18Å; F211-A467 HydrophobicContact CB-CB 3.36Å; F211-A467 HydrophobicContact CD1-CB 3.94Å; F211-A467 HydrophobicContact CD2-CB 3.67Å; F211-A467 HydrophobicContact CE2-CB 4.4Å; F211-A467 HydrophobicContact CG-CB 3.39Å; A467-Y469 HydrophobicContact CB-CE2 4Å; A467-W487 HydrophobicContact CB-CZ3 4.12Å
468	R	87.2	Confident	84.8	Confident	119 Å²	119	54.1 Å²	54.1	45%	0.449	27%	0.268	S	S	.	.			trans	-144.1	138.7	163.8	-65.4	-175	177.6	179.2	-4.3	107.4	K342 I488	K342-R468 HydrophobicContact CB-CB 3.72Å; K342-R468 HydrophobicContact CD-CB 4.12Å; K342-R468 PolarHBondContact N-O 2.79Å; R468-I488 HydrophobicContact CG-CG2 4.47Å
469	Y	89.2	Confident	83.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.4	-178.7	-69.1	-87.2	0	0	0	111.1	P207 F211 Q212 A215 I339 Q340 P341 A467 E486 W487	P207-Y469 HydrophobicContact CG-CE1 4.38Å; P207-Y469 HydrophobicContact CG-CE2 4.27Å; P207-Y469 WeakPolarHBondContact CG-OH 3.46Å; F211-Y469 HydrophobicContact CB-CE2 4.01Å; Q212-Y469 HydrophobicContact CB-CE1 4.41Å; Q212-Y469 WeakPolarHBondContact CB-OH 3.42Å; Q212-Y469 HydrophobicContact CG-CE1 4.36Å; Q212-Y469 PolarHBondContact N-OH 3.42Å; A215-Y469 HydrophobicContact CB-CD2 4.18Å; I339-Y469 HydrophobicContact CD1-CD1 4.28Å; Q340-Y469 VanDerWaalsContact C-CD1 3.48Å; Q340-Y469 CarbonylContact O-C 3.58Å; Q340-Y469 VanDerWaalsContact O-CA 3.26Å; Q340-Y469 WeakPolarHBondContact O-CA 3.38Å; Q340-Y469 WeakPolarHBondContact O-CD1 3.48Å; P341-Y469 HydrophobicContact CB-CE1 4.46Å; P341-Y469 HydrophobicContact CG-CD1 4.38Å; P341-Y469 HydrophobicContact CG-CE1 3.93Å; A467-Y469 HydrophobicContact CB-CE2 4Å; Y469-E486 CarbonylContact O-C 3.59Å; Y469-E486 WeakPolarHBondContact O-CA 3.47Å; Y469-W487 AromaticContact CD2-CE3 3.7Å; Y469-W487 HydrophobicContact CD2-CE3 3.7Å; Y469-W487 HydrophobicContact CD2-CZ3 4Å; Y469-W487 HydrophobicContact CE2-CE3 4.45Å; Y469-W487 HydrophobicContact CE2-CZ3 4.31Å; Y469-W487 PolarHBondContact N-O 2.94Å; Y469-W487 PolarHBondContact O-N 3.33Å
470	N	88.6	Confident	82.9	Confident	26 Å²	26	63.8 Å²	63.8	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	145.3	164.2	-68.4	-14.4	0	0	0	108.8	I339 Q340 Y472	I339-N470 CarbonylContact C-O 3.59Å; I339-N470 WeakPolarHBondContact CA-O 3.45Å; Q340-N470 PolarHBondContact N-O 3.25Å; Q340-N470 PolarHBondContact O-N 3.39Å; N470-Y472 HydrophobicContact CB-CD2 4.39Å; N470-Y472 HydrophobicContact CB-CE2 3.55Å
471	I	89.2	Confident	82.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.7	179.8	-53.6	179.4	0	0	0	108	V219 I337 I339 P483 V484 G485 W487 L493	V219-I471 HydrophobicContact CG2-CD1 3.69Å; I337-I471 HydrophobicContact CG2-CG2 3.71Å; I339-I471 HydrophobicContact CG2-CG1 4Å; I339-I471 HydrophobicContact CG2-CG2 4.44Å; I471-P483 WeakPolarHBondContact O-CA 3.31Å; I471-V484 HydrophobicContact CB-CG2 4.11Å; I471-V484 HydrophobicContact CG2-CG2 3.63Å; I471-V484 WeakPolarHBondContact O-CG2 3.34Å; I471-V484 PolarHBondContact O-N 3.1Å; I471-G485 PolarHBondContact N-O 2.9Å; I471-G485 PolarHBondContact O-N 3.34Å; I471-W487 HydrophobicContact CD1-CB 4.47Å; I471-L493 HydrophobicContact CD1-CD2 3.06Å; I471-L493 HydrophobicContact CD1-CG 4.49Å; I471-L493 HydrophobicContact CG1-CD2 4.44Å
472	Y	89.2	Confident	82.4	Confident	34 Å²	34	58.2 Å²	58.2	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.2	-178.7	-60.7	-91.6	0	0	0	111.2	T321 I337 T338 Q340 N470 V482 P483	T321-Y472 HydrophobicContact CG2-CD1 3.77Å; T321-Y472 HydrophobicContact CG2-CD2 3.54Å; T321-Y472 HydrophobicContact CG2-CE1 3.94Å; T321-Y472 HydrophobicContact CG2-CE2 3.68Å; T321-Y472 HydrophobicContact CG2-CG 3.58Å; I337-Y472 CarbonylContact C-O 3.5Å; I337-Y472 WeakPolarHBondContact CA-O 3.18Å; T338-Y472 PolarHBondContact N-O 2.94Å; T338-Y472 PolarHBondContact O-N 2.78Å; Q340-Y472 HydrophobicContact CB-CE2 4.16Å; N470-Y472 HydrophobicContact CB-CD2 4.39Å; N470-Y472 HydrophobicContact CB-CE2 3.55Å; Y472-V482 CarbonylContact C-O 3.59Å; Y472-V482 WeakPolarHBondContact CA-O 3.5Å; Y472-P483 HydrophobicContact CD1-CB 4.05Å; Y472-P483 HydrophobicContact CE1-CB 3.85Å
473	Q	87.8	Confident	82.1	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.3	171.1	-168	-177.9	26.4	0	0	110.2	A336 I337 H475 Y481 V482 V484	A336-Q473 CarbonylContact O-C 3.54Å; A336-Q473 WeakPolarHBondContact O-CA 3.3Å; I337-Q473 HydrophobicContact CG1-CG 4.27Å; Q473-H475 PolarHBondContact OE1-NE2 3.15Å; Q473-Y481 WeakPolarHBondContact O-CA 3.35Å; Q473-V482 PolarHBondContact N-O 3.25Å; Q473-V482 PolarHBondContact O-N 3.26Å; Q473-V484 HydrophobicContact CB-CG1 3.62Å; Q473-V484 HydrophobicContact CB-CG2 4.37Å
474	F	86.9	Confident	81.8	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.6	177.2	-173.9	-103.5	0	0	0	111.5	V326 P330 S333 G335 A336 Y481	V326-F474 HydrophobicContact CB-CE2 4.45Å; V326-F474 HydrophobicContact CB-CZ 4.41Å; V326-F474 HydrophobicContact CG2-CD2 4.18Å; V326-F474 HydrophobicContact CG2-CE2 3.64Å; V326-F474 HydrophobicContact CG2-CZ 3.98Å; P330-F474 HydrophobicContact CB-CE1 3.97Å; P330-F474 HydrophobicContact CB-CZ 3.91Å; P330-F474 WeakPolarHBondContact O-CE1 3.22Å; S333-F474 WeakPolarHBondContact O-CD1 3.48Å; G335-F474 WeakPolarHBondContact CA-O 3.33Å; G335-F474 PolarHBondContact N-O 3.1Å; A336-F474 HydrophobicContact CB-CB 4.36Å; A336-F474 PolarHBondContact O-N 2.94Å; F474-Y481 HydrophobicContact CB-CD1 4.02Å; F474-Y481 HydrophobicContact CB-CE1 3.68Å; F474-Y481 HydrophobicContact CD2-CD1 4.21Å; F474-Y481 HydrophobicContact CD2-CD2 4.21Å; F474-Y481 AromaticContact CD2-CE1 3.88Å; F474-Y481 HydrophobicContact CD2-CE1 3.88Å; F474-Y481 AromaticContact CD2-CE2 3.86Å; F474-Y481 HydrophobicContact CD2-CE2 3.86Å; F474-Y481 HydrophobicContact CD2-CG 4.36Å; F474-Y481 AromaticContact CD2-CZ 3.67Å; F474-Y481 HydrophobicContact CE2-CE2 4.4Å; F474-Y481 HydrophobicContact CG-CE1 4.21Å
475	H	77	Confident	81.3	Confident	60 Å²	60	58.9 Å²	58.9	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.7	179.3	-74.6	-158	0	0	0	110.3	Q473 K479 Y480 V482	Q473-H475 PolarHBondContact OE1-NE2 3.15Å; H475-K479 PolarHBondContact O-N 2.76Å; H475-K479 VanDerWaalsContact O-N 3.09Å; H475-Y480 PolarHBondContact N-O 3.33Å; H475-Y480 VanDerWaalsContact N-O 3.14Å; H475-V482 HydrophobicContact CB-CG2 4.5Å
476	D	64.8	Low	81	Confident	65 Å²	65	60.2 Å²	60.2	35%	0.348	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-70.5	-34.9	-173.8	-172.4	35.9	0	0	0	113	F334 H478 K479	F334-D476 HydrophobicContact CD2-CB 3.49Å; F334-D476 VanDerWaalsContact CD2-CB 3.49Å; F334-D476 HydrophobicContact CE2-CB 4Å; F334-D476 HydrophobicContact CG-CB 4.41Å; D476-H478 PolarHBondContact O-N 3.4Å; D476-K479 PolarHBondContact O-N 2.77Å; D476-K479 VanDerWaalsContact O-N 3.16Å
477	L	59.9	Low	81	Confident	163 Å²	163	53.1 Å²	53.1	85%	0.853	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-51.2	-28.4	179.3	-82.5	163.8	0	0	0	113.3
478	H	57.3	Low	80.9	Confident	108 Å²	108	56.5 Å²	56.5	50%	0.5	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-127.6	2.9	-178.9	-50.1	91.6	0	0	0	114.9	D476 Y480	D476-H478 PolarHBondContact O-N 3.4Å; H478-Y480 HydrophobicContact CB-CD1 3.08Å; H478-Y480 HydrophobicContact CB-CD2 4.26Å; H478-Y480 HydrophobicContact CB-CE1 2.87Å; H478-Y480 HydrophobicContact CB-CE2 4.02Å; H478-Y480 HydrophobicContact CB-CG 3.79Å; H478-Y480 AromaticContact CD2-CE1 3.55Å; H478-Y480 AromaticContact CD2-CZ 3.77Å; H478-Y480 PolarHBondContact CD2-OH 2.99Å; H478-Y480 PolarHBondContact CE1-OH 2.91Å; H478-Y480 AromaticContact CG-CD1 3.99Å; H478-Y480 AromaticContact CG-CE1 3.23Å; H478-Y480 AromaticContact CG-CZ 3.32Å; H478-Y480 VanDerWaalsContact CG-OH 3.27Å; H478-Y480 AromaticContact ND1-CE1 3.99Å; H478-Y480 AromaticContact ND1-CZ 3.58Å; H478-Y480 PolarHBondContact ND1-OH 3.34Å; H478-Y480 PolarHBondContact NE2-OH 3.2Å; H478-Y480 WeakPolarHBondContact O-CD1 3.17Å; H478-Y480 PolarHBondContact O-N 2.69Å
479	K	70.1	Confident	80.2	Confident	138 Å²	138	52 Å²	52	60%	0.6	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	33.3	-176.4	-56.9	-178.8	179.4	179.7	0	113.5	H475 D476	H475-K479 PolarHBondContact O-N 2.76Å; H475-K479 VanDerWaalsContact O-N 3.09Å; D476-K479 PolarHBondContact O-N 2.77Å; D476-K479 VanDerWaalsContact O-N 3.16Å
480	Y	76.5	Confident	78.7	Confident	103 Å²	103	63.9 Å²	63.9	40%	0.404	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.8	179.3	65.2	-124	0	0	0	112.3	H475 H478 V482	H475-Y480 PolarHBondContact N-O 3.33Å; H475-Y480 VanDerWaalsContact N-O 3.14Å; H478-Y480 HydrophobicContact CB-CD1 3.08Å; H478-Y480 HydrophobicContact CB-CD2 4.26Å; H478-Y480 HydrophobicContact CB-CE1 2.87Å; H478-Y480 HydrophobicContact CB-CE2 4.02Å; H478-Y480 HydrophobicContact CB-CG 3.79Å; H478-Y480 AromaticContact CD2-CE1 3.55Å; H478-Y480 AromaticContact CD2-CZ 3.77Å; H478-Y480 PolarHBondContact CD2-OH 2.99Å; H478-Y480 PolarHBondContact CE1-OH 2.91Å; H478-Y480 AromaticContact CG-CD1 3.99Å; H478-Y480 AromaticContact CG-CE1 3.23Å; H478-Y480 AromaticContact CG-CZ 3.32Å; H478-Y480 VanDerWaalsContact CG-OH 3.27Å; H478-Y480 AromaticContact ND1-CE1 3.99Å; H478-Y480 AromaticContact ND1-CZ 3.58Å; H478-Y480 PolarHBondContact ND1-OH 3.34Å; H478-Y480 PolarHBondContact NE2-OH 3.2Å; H478-Y480 WeakPolarHBondContact O-CD1 3.17Å; H478-Y480 PolarHBondContact O-N 2.69Å; Y480-V482 HydrophobicContact CD2-CG2 3.85Å; Y480-V482 HydrophobicContact CE2-CG2 3.43Å; Y480-V482 VanDerWaalsContact CE2-CG2 3.43Å
481	Y	85.2	Confident	77.1	Confident	28 Å²	28	68.7 Å²	68.7	11%	0.11	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.1	174.2	-72	-82.9	0	0	0	110.1	W319 T321 V326 T338 Q473 F474	W319-Y481 AromaticContact NE1-CZ 3.89Å; W319-Y481 PolarHBondContact NE1-OH 3.07Å; T321-Y481 HydrophobicContact CG2-CD2 4.49Å; T321-Y481 HydrophobicContact CG2-CG 4.14Å; T321-Y481 WeakPolarHBondContact O-CD2 3.3Å; V326-Y481 WeakPolarHBondContact CG1-OH 3.43Å; V326-Y481 HydrophobicContact CG2-CE2 4.32Å; T338-Y481 HydrophobicContact CG2-CD1 3.98Å; T338-Y481 HydrophobicContact CG2-CE1 3.89Å; Q473-Y481 WeakPolarHBondContact O-CA 3.35Å; F474-Y481 HydrophobicContact CB-CD1 4.02Å; F474-Y481 HydrophobicContact CB-CE1 3.68Å; F474-Y481 HydrophobicContact CD2-CD1 4.21Å; F474-Y481 HydrophobicContact CD2-CD2 4.21Å; F474-Y481 AromaticContact CD2-CE1 3.88Å; F474-Y481 HydrophobicContact CD2-CE1 3.88Å; F474-Y481 AromaticContact CD2-CE2 3.86Å; F474-Y481 HydrophobicContact CD2-CE2 3.86Å; F474-Y481 HydrophobicContact CD2-CG 4.36Å; F474-Y481 AromaticContact CD2-CZ 3.67Å; F474-Y481 HydrophobicContact CE2-CE2 4.4Å; F474-Y481 HydrophobicContact CG-CE1 4.21Å
482	V	83.6	Confident	75.3	Confident	38 Å²	38	75.3 Å²	75.3	23%	0.23	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.4	175.2	-178.9	0	0	0	0	109	Y472 Q473 H475 Y480 V484	Y472-V482 CarbonylContact C-O 3.59Å; Y472-V482 WeakPolarHBondContact CA-O 3.5Å; Q473-V482 PolarHBondContact N-O 3.25Å; Q473-V482 PolarHBondContact O-N 3.26Å; H475-V482 HydrophobicContact CB-CG2 4.5Å; Y480-V482 HydrophobicContact CD2-CG2 3.85Å; Y480-V482 HydrophobicContact CE2-CG2 3.43Å; Y480-V482 VanDerWaalsContact CE2-CG2 3.43Å; V482-V484 PolarHBondContact O-N 3.32Å
483	P	84.3	Confident	73.7	Confident	91 Å²	91	74.9 Å²	74.9	59%	0.591	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.5	169.4	27.7	-33	0	0	0	110.1	I471 Y472	I471-P483 WeakPolarHBondContact O-CA 3.31Å; Y472-P483 HydrophobicContact CD1-CB 4.05Å; Y472-P483 HydrophobicContact CE1-CB 3.85Å
484	V	84.9	Confident	71.7	Confident	20 Å²	20	81.8 Å²	81.8	12%	0.121	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-8.5	-178.3	-63.7	0	0	0	0	113.4	I471 Q473 V482 G495 L496	I471-V484 HydrophobicContact CB-CG2 4.11Å; I471-V484 HydrophobicContact CG2-CG2 3.63Å; I471-V484 WeakPolarHBondContact O-CG2 3.34Å; I471-V484 PolarHBondContact O-N 3.1Å; Q473-V484 HydrophobicContact CB-CG1 3.62Å; Q473-V484 HydrophobicContact CB-CG2 4.37Å; V482-V484 PolarHBondContact O-N 3.32Å; V484-G495 CarbonylContact O-C 3.56Å; V484-G495 WeakPolarHBondContact O-CA 3.39Å; V484-L496 HydrophobicContact CG2-CD2 4.02Å; V484-L496 HydrophobicContact CG2-CG 4.48Å
485	G	82.7	Confident	69.8	Low	23 Å²	23	84.1 Å²	84.1	24%	0.237	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	176.1	176.8	0	0	0	0	0	113.6	I471	I471-G485 PolarHBondContact N-O 2.9Å; I471-G485 PolarHBondContact O-N 3.34Å
486	E	85.6	Confident	68.5	Low	56 Å²	56	82.8 Å²	82.8	26%	0.262	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.8	173	-172.1	177	171.5	0	0	108.3	K342 Y469 I488	K342-E486 WeakPolarHBondContact CD-OE1 3.24Å; K342-E486 VanDerWaalsContact NZ-CD 3.29Å; K342-E486 IonicContact NZ-OE1 2.97Å; K342-E486 PolarHBondContact NZ-OE1 3.44Å; K342-E486 IonicContact NZ-OE2 2.71Å; K342-E486 PolarHBondContact NZ-OE2 3.16Å; Y469-E486 CarbonylContact O-C 3.59Å; Y469-E486 WeakPolarHBondContact O-CA 3.47Å; E486-I488 HydrophobicContact CG-CD1 4.16Å; E486-I488 HydrophobicContact CG-CG1 3.77Å; E486-I488 WeakPolarHBondContact OE1-CD1 3.4Å; E486-I488 WeakPolarHBondContact OE1-CG1 3.48Å
487	W	87.6	Confident	67.6	Low	13 Å²	13	88.5 Å²	88.5	5%	0.049	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.6	172.7	-177.8	95.8	0	0	0	109	F211 Q214 A215 D218 A467 Y469 I471 L493	F211-W487 HydrophobicContact CB-CH2 4.3Å; F211-W487 HydrophobicContact CB-CZ3 4.34Å; F211-W487 HydrophobicContact CD1-CH2 4.25Å; Q214-W487 HydrophobicContact CB-CZ2 4.17Å; Q214-W487 HydrophobicContact CG-CH2 4.44Å; Q214-W487 HydrophobicContact CG-CZ2 3.76Å; A215-W487 HydrophobicContact CB-CB 4.43Å; A215-W487 HydrophobicContact CB-CD2 3.61Å; A215-W487 HydrophobicContact CB-CE3 4.06Å; A215-W487 HydrophobicContact CB-CG 3.79Å; A215-W487 HydrophobicContact CB-CZ2 4.33Å; D218-W487 PolarHBondContact OD2-NE1 3.26Å; A467-W487 HydrophobicContact CB-CZ3 4.12Å; Y469-W487 AromaticContact CD2-CE3 3.7Å; Y469-W487 HydrophobicContact CD2-CE3 3.7Å; Y469-W487 HydrophobicContact CD2-CZ3 4Å; Y469-W487 HydrophobicContact CE2-CE3 4.45Å; Y469-W487 HydrophobicContact CE2-CZ3 4.31Å; Y469-W487 PolarHBondContact N-O 2.94Å; Y469-W487 PolarHBondContact O-N 3.33Å; I471-W487 HydrophobicContact CD1-CB 4.47Å; W487-L493 HydrophobicContact CB-CD2 4.33Å
488	I	81.6	Confident	66.4	Low	88 Å²	88	89.1 Å²	89.1	45%	0.451	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-125.2	49.2	-177.5	-42.6	177.8	0	0	0	109.3	R468 E486	R468-I488 HydrophobicContact CG-CG2 4.47Å; E486-I488 HydrophobicContact CG-CD1 4.16Å; E486-I488 HydrophobicContact CG-CG1 3.77Å; E486-I488 WeakPolarHBondContact OE1-CD1 3.4Å; E486-I488 WeakPolarHBondContact OE1-CG1 3.48Å
489	G	71.3	Confident	65.6	Low	23 Å²	23	86.6 Å²	86.6	24%	0.237	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-151.8	-171.5	0	0	0	0	0	112.1	D491	G489-D491 PolarHBondContact O-N 3.4Å
490	R	58.8	Low	63.9	Low	251 Å²	251	85.7 Å²	85.7	95%	0.947	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-8.2	-165.4	-64.1	-175.5	-151.4	-162.6	5.9	116.3
491	D	54.7	Low	61.7	Low	127 Å²	127	84.8 Å²	84.8	68%	0.679	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-116.1	118	-177.7	-67.5	-43.8	0	0	0	112.6	G489	G489-D491 PolarHBondContact O-N 3.4Å
492	F	52.4	Low	59.4	Low	139 Å²	139	84.9 Å²	84.9	61%	0.61	44%	0.443	S	S	*	.			trans	78.3	95.6	147.6	-127.7	-119.5	0	0	0	120.3	K494	F492-K494 HydrophobicContact CD1-CB 4.05Å; F492-K494 HydrophobicContact CD1-CD 4.14Å; F492-K494 HydrophobicContact CD1-CG 3.83Å; F492-K494 HydrophobicContact CE1-CB 3.96Å; F492-K494 HydrophobicContact CE1-CD 3.22Å; F492-K494 HydrophobicContact CE1-CG 3.32Å; F492-K494 HydrophobicContact CZ-CD 3.66Å; F492-K494 HydrophobicContact CZ-CG 3.77Å
493	L	53.7	Low	57.3	Low	26 Å²	26	89 Å²	89	14%	0.136	47%	0.468	C	S	.	.			trans	-98.6	105.8	153.1	-65.7	166.5	0	0	0	108.4	D218 V219 Q222 I471 W487	D218-L493 HydrophobicContact CB-CD1 4.32Å; V219-L493 HydrophobicContact CG2-CD1 4.06Å; V219-L493 HydrophobicContact CG2-CD2 4.4Å; Q222-L493 HydrophobicContact CB-CD1 4.45Å; Q222-L493 PolarHBondContact NE2-O 2.98Å; I471-L493 HydrophobicContact CD1-CD2 3.06Å; I471-L493 HydrophobicContact CD1-CG 4.49Å; I471-L493 HydrophobicContact CG1-CD2 4.44Å; W487-L493 HydrophobicContact CB-CD2 4.33Å
494	K	47.5	Very low	54.9	Low	155 Å²	155	90.4 Å²	90.4	67%	0.674	48%	0.477	S	S	*	.			trans	-111.2	123.1	167.2	-102.8	-165.3	-172.2	154.1	0	108.3	F492	F492-K494 HydrophobicContact CD1-CB 4.05Å; F492-K494 HydrophobicContact CD1-CD 4.14Å; F492-K494 HydrophobicContact CD1-CG 3.83Å; F492-K494 HydrophobicContact CE1-CB 3.96Å; F492-K494 HydrophobicContact CE1-CD 3.22Å; F492-K494 HydrophobicContact CE1-CG 3.32Å; F492-K494 HydrophobicContact CZ-CD 3.66Å; F492-K494 HydrophobicContact CZ-CG 3.77Å
495	G	46.8	Very low	53	Low	51 Å²	51	91.3 Å²	91.3	53%	0.526	49%	0.491	S	S	.	.			trans	129.6	-1.3	164.6	0	0	0	0	0	117.7	V484 Y497	V484-G495 CarbonylContact O-C 3.56Å; V484-G495 WeakPolarHBondContact O-CA 3.39Å; G495-Y497 PolarHBondContact O-N 3.34Å
496	L	48.7	Very low	51.2	Low	33 Å²	33	94.9 Å²	94.9	17%	0.173	50%	0.504	C	S	.	.			trans	-70	115.2	177.9	-84.2	158.4	0	0	0	111.2	V219 L223 I337 V484 Q498	V219-L496 HydrophobicContact CG1-CD1 4.09Å; V219-L496 HydrophobicContact CG2-CD1 4.44Å; L223-L496 HydrophobicContact CD2-CB 4.4Å; L223-L496 HydrophobicContact CD2-CD2 4.35Å; I337-L496 HydrophobicContact CD1-CD2 3.61Å; I337-L496 HydrophobicContact CG1-CD2 4.1Å; I337-L496 HydrophobicContact CG2-CD2 4.25Å; V484-L496 HydrophobicContact CG2-CD2 4.02Å; V484-L496 HydrophobicContact CG2-CG 4.48Å; L496-Q498 PolarHBondContact O-N 3.5Å
497	Y	45.7	Very low	49.6	Very low	185 Å²	185	94.1 Å²	94.1	73%	0.725	51%	0.505	S	S	*	.			trans	-59.6	130.8	172.1	-108.2	-94.9	0	0	0	110	G495 F499	G495-Y497 PolarHBondContact O-N 3.34Å; Y497-F499 PolarHBondContact O-N 2.9Å; Y497-F499 VanDerWaalsContact O-N 3.13Å
498	Q	36.4	Very low	47.7	Very low	175 Å²	175	98.2 Å²	98.2	82%	0.818	53%	0.534	S	S	*	.			trans	-71.6	103.9	-173.1	-151.3	165.8	4.9	0	0	109.8	L496	L496-Q498 PolarHBondContact O-N 3.5Å
499	F	38.9	Very low	46.5	Very low	55 Å²	55	101.7 Å²	101.7	24%	0.241	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-71.5	149.8	164.9	-80.2	-81.2	0	0	0	109.8	G335 I337 Y497 C501	G335-F499 WeakPolarHBondContact O-CZ 3.41Å; I337-F499 HydrophobicContact CD1-CE2 4.35Å; Y497-F499 PolarHBondContact O-N 2.9Å; Y497-F499 VanDerWaalsContact O-N 3.13Å; F499-C501 PolarHBondContact O-N 2.86Å; F499-C501 VanDerWaalsContact O-N 3.11Å
500	P	35.3	Very low	45.4	Very low	120 Å²	120	106.2 Å²	106.2	78%	0.779	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-54.6	122.3	179.7	20.5	-30.8	0	0	0	110	A502	P500-A502 PolarHBondContact O-N 3.49Å
501	C	29.2	Very low	45.7	Very low	84 Å²	84	100.2 Å²	100.2	57%	0.568	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-54.1	123.8	-176.1	-59.5	0	0	0	0	110.4	F499 T503	F499-C501 PolarHBondContact O-N 2.86Å; F499-C501 VanDerWaalsContact O-N 3.11Å; C501-T503 PolarHBondContact O-N 3.18Å
502	A	37.3	Very low	46.2	Very low	29 Å²	29	100.6 Å²	100.6	24%	0.24	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-60.9	126.3	158.7	0	0	0	0	0	107.4	P500	P500-A502 PolarHBondContact O-N 3.49Å
503	T	40.7	Very low	47.2	Very low	125 Å²	125	100.1 Å²	100.1	77%	0.767	57%	0.573	S	S	*	*			trans	-45.6	135.3	-170.3	44.7	0	0	0	0	113.4	C501 G505	C501-T503 PolarHBondContact O-N 3.18Å; T503-G505 PolarHBondContact O-N 2.85Å
504	P	34.1	Very low	48.3	Very low	121 Å²	121	101.3 Å²	101.3	79%	0.786	58%	0.582	S	S	*	*			trans	-70.5	106.9	179.6	28.3	-31.8	0	0	0	110
505	G	43	Very low	49.9	Very low	39 Å²	39	98 Å²	98	40%	0.402	57%	0.572	S	S	.	*			trans	-159.2	107.6	166.2	0	0	0	0	0	108	T503 C507	T503-G505 PolarHBondContact O-N 2.85Å; G505-C507 PolarHBondContact O-N 2.98Å
506	N	46.1	Very low	51.5	Low	97 Å²	97	99.1 Å²	99.1	52%	0.519	57%	0.569	S	S	.	*			trans	-49.1	118.9	173.6	-52.6	-24.7	0	0	0	107.7	W509	N506-W509 HydrophobicContact CB-CH2 3.75Å; N506-W509 HydrophobicContact CB-CZ2 3.51Å; N506-W509 WeakPolarHBondContact O-CZ2 3.42Å; N506-W509 PolarHBondContact O-NE1 3.01Å
507	C	52.5	Low	53.1	Low	40 Å²	40	102.9 Å²	102.9	27%	0.27	59%	0.585	S	S	.	*	S	Bend	trans	39.3	120	156.9	-37.8	0	0	0	0	119.5	C255 G505 W509	C255-C507 HydrophobicContact CB-CB 3.98Å; C255-C507 WeakPolarHBondContact CB-SG 3.41Å; C255-C507 WeakPolarHBondContact SG-CB 3.41Å; C255-C507 CovalentContact SG-SG 2.01Å; C255-C507 PolarHBondContact SG-SG 2.83Å; G505-C507 PolarHBondContact O-N 2.98Å; C507-W509 PolarHBondContact O-N 3.39Å
508	C	47.8	Very low	55.1	Low	100 Å²	100	95.3 Å²	95.3	68%	0.676	56%	0.559	S	S	*	*			trans	-18.7	94.1	-179.7	-78.5	0	0	0	0	117.2
509	W	56.2	Low	57.5	Low	160 Å²	160	87.7 Å²	87.7	61%	0.606	52%	0.524	S	S	*	.			trans	-85.9	145.8	168	-28.2	97.1	0	0	0	110.8	N506 C507	N506-W509 HydrophobicContact CB-CH2 3.75Å; N506-W509 HydrophobicContact CB-CZ2 3.51Å; N506-W509 WeakPolarHBondContact O-CZ2 3.42Å; N506-W509 PolarHBondContact O-NE1 3.01Å; C507-W509 PolarHBondContact O-N 3.39Å
510	T	47	Very low	59.9	Low	118 Å²	118	86.1 Å²	86.1	72%	0.724	52%	0.518	S	S	*	.			trans	-96.8	123.3	159.7	-58.8	0	0	0	0	108.2	L512	T510-L512 HydrophobicContact CG2-CD2 4.06Å; T510-L512 HydrophobicContact CG2-CG 4.3Å; T510-L512 PolarHBondContact O-N 3.1Å
511	C	65.4	Low	62.2	Low	125 Å²	125	85.3 Å²	85.3	85%	0.845	51%	0.505	S	S	*	.			trans	-76	105.2	171.9	-64.4	0	0	0	0	108.8
512	L	66.1	Low	64.6	Low	136 Å²	136	84.8 Å²	84.8	71%	0.712	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-94.6	130.5	171.8	-64.9	172.4	0	0	0	108.9	T510 C514	T510-L512 HydrophobicContact CG2-CD2 4.06Å; T510-L512 HydrophobicContact CG2-CG 4.3Å; T510-L512 PolarHBondContact O-N 3.1Å; L512-C514 PolarHBondContact O-N 3.49Å
513	P	71.9	Confident	66.5	Low	129 Å²	129	87 Å²	87	84%	0.838	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-66.8	125.3	176.6	27.5	-32.8	0	0	0	109.6
514	C	76.8	Confident	67.8	Low	51 Å²	51	91.1 Å²	91.1	35%	0.345	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-86.3	143	172.5	-63.5	0	0	0	0	110.4	L512 T516 C527	L512-C514 PolarHBondContact O-N 3.49Å; C514-T516 VanDerWaalsContact C-N 3.35Å; C514-T516 WeakPolarHBondContact O-CG2 3.26Å; C514-T516 PolarHBondContact O-N 3.29Å; C514-C527 HydrophobicContact CB-CB 3.67Å; C514-C527 WeakPolarHBondContact CB-SG 3.25Å; C514-C527 WeakPolarHBondContact SG-CB 3.35Å; C514-C527 CovalentContact SG-SG 1.99Å; C514-C527 PolarHBondContact SG-SG 2.77Å
515	N	82.2	Confident	69.7	Low	86 Å²	86	90.6 Å²	90.6	46%	0.46	51%	0.511	S	S	.	.			trans	-68.9	95.3	172.5	-173.4	-17.7	0	0	0	109.3	E517 T518 S519	N515-E517 PolarHBondContact O-N 3.4Å; N515-E517 PolarHBondContact OD1-N 3.36Å; N515-T518 PolarHBondContact ND2-OG1 3.47Å; N515-T518 PolarHBondContact O-N 3.11Å; N515-S519 VanDerWaalsContact O-CB 3.3Å; N515-S519 WeakPolarHBondContact O-CB 3.37Å; N515-S519 PolarHBondContact O-N 2.82Å; N515-S519 VanDerWaalsContact O-N 3.09Å; N515-S519 PolarHBondContact O-OG 2.83Å
516	T	80.6	Confident	71.3	Confident	73 Å²	73	90.6 Å²	90.6	45%	0.448	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.1	-173.6	52.4	0	0	0	0	113.7	C514 P536 K540	C514-T516 VanDerWaalsContact C-N 3.35Å; C514-T516 WeakPolarHBondContact O-CG2 3.26Å; C514-T516 PolarHBondContact O-N 3.29Å; T516-P536 WeakPolarHBondContact O-CG 3.41Å; T516-K540 HydrophobicContact CG2-CD 4.23Å
517	E	82.5	Confident	73.2	Confident	112 Å²	112	88.2 Å²	88.2	52%	0.523	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.1	179.7	-54.8	-175.7	156.6	0	0	112	N515 L535 P536 L703	N515-E517 PolarHBondContact O-N 3.4Å; N515-E517 PolarHBondContact OD1-N 3.36Å; E517-L535 VanDerWaalsContact O-CD2 3.27Å; E517-L535 WeakPolarHBondContact O-CD2 3.49Å; E517-P536 VanDerWaalsContact O-CD 3.25Å; E517-P536 WeakPolarHBondContact O-CD 3.29Å; E517-L703 HydrophobicContact CB-CD2 3.77Å; E517-L703 WeakPolarHBondContact OE2-CD1 3.44Å
518	T	87	Confident	74.9	Confident	27 Å²	27	90.2 Å²	90.2	17%	0.166	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-2.2	-172.7	64.9	0	0	0	0	114.6	N515 C530 R702 L703	N515-T518 PolarHBondContact ND2-OG1 3.47Å; N515-T518 PolarHBondContact O-N 3.11Å; T518-C530 WeakPolarHBondContact O-CB 3.4Å; T518-C530 PolarHBondContact O-N 2.75Å; T518-R702 HydrophobicContact CG2-CB 3.95Å; T518-L703 HydrophobicContact CG2-CD2 4.04Å
519	S	87.9	Confident	76.9	Confident	14 Å²	14	89.7 Å²	89.7	10%	0.098	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.4	-171.4	-55.9	0	0	0	0	112.9	N515 I528 P529	N515-S519 VanDerWaalsContact O-CB 3.3Å; N515-S519 WeakPolarHBondContact O-CB 3.37Å; N515-S519 PolarHBondContact O-N 2.82Å; N515-S519 VanDerWaalsContact O-N 3.09Å; N515-S519 PolarHBondContact O-OG 2.83Å; S519-I528 CarbonylContact C-O 3.54Å; S519-I528 VanDerWaalsContact CA-O 3.24Å; S519-I528 WeakPolarHBondContact CA-O 3.37Å; S519-I528 WeakPolarHBondContact CB-O 3.36Å; S519-P529 WeakPolarHBondContact OG-CA 3.34Å
520	I	88.2	Confident	78.6	Confident	22 Å²	22	82.4 Å²	82.4	11%	0.113	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	157.5	171.1	58.5	166.7	0	0	0	111	P522 C527 I528 P536 K540	I520-P522 WeakPolarHBondContact O-CD 3.43Å; I520-C527 WeakPolarHBondContact O-CA 3.27Å; I520-I528 HydrophobicContact CD1-CB 4.46Å; I520-I528 HydrophobicContact CG1-CB 3.95Å; I520-I528 WeakPolarHBondContact CG1-O 3.29Å; I520-I528 PolarHBondContact N-O 3.06Å; I520-I528 PolarHBondContact O-N 3.18Å; I520-P536 HydrophobicContact CG2-CB 3.95Å; I520-K540 CarbonylContact C-O 3.59Å; I520-K540 WeakPolarHBondContact CA-O 3.38Å; I520-K540 WeakPolarHBondContact CB-O 3.3Å
521	M	84.4	Confident	80.7	Confident	104 Å²	104	85 Å²	85	51%	0.512	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	75.7	178.4	-172.7	178.2	67.4	0	0	109.3	N523 K540	M521-N523 WeakPolarHBondContact CG-O 3.43Å; M521-N523 PolarHBondContact O-N 3.07Å; M521-K540 PolarHBondContact N-O 2.89Å
522	P	79.3	Confident	81.8	Confident	73 Å²	73	83.9 Å²	83.9	47%	0.474	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-22.1	-176.3	28.4	-36	0	0	0	112.8	I520 I528	I520-P522 WeakPolarHBondContact O-CD 3.43Å; P522-I528 HydrophobicContact CG-CD1 3.78Å; P522-I528 HydrophobicContact CG-CG1 4.27Å
523	N	76.2	Confident	82.9	Confident	76 Å²	76	77.5 Å²	77.5	41%	0.406	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	172.9	176	62.9	23.4	0	0	0	109.8	M521 T525 S526	M521-N523 WeakPolarHBondContact CG-O 3.43Å; M521-N523 PolarHBondContact O-N 3.07Å; N523-T525 PolarHBondContact O-N 3.13Å; N523-T525 PolarHBondContact OD1-N 3.19Å; N523-T525 VanDerWaalsContact OD1-N 3.15Å; N523-T525 PolarHBondContact OD1-OG1 3.05Å; N523-S526 VanDerWaalsContact CG-OG 3.27Å; N523-S526 PolarHBondContact ND2-OG 3.43Å; N523-S526 WeakPolarHBondContact OD1-CB 3.47Å; N523-S526 PolarHBondContact OD1-N 3.42Å; N523-S526 PolarHBondContact OD1-OG 3.21Å
524	K	69	Low	83.8	Confident	210 Å²	210	76 Å²	76	91%	0.913	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-3	-179.4	-62.7	-175	-179.9	-178.7	0	114.6
525	T	72.7	Confident	84.5	Confident	111 Å²	111	75.9 Å²	75.9	68%	0.681	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-5.8	-169.6	54.1	0	0	0	0	114.4	N523	N523-T525 PolarHBondContact O-N 3.13Å; N523-T525 PolarHBondContact OD1-N 3.19Å; N523-T525 VanDerWaalsContact OD1-N 3.15Å; N523-T525 PolarHBondContact OD1-OG1 3.05Å
526	S	77.7	Confident	84.9	Confident	38 Å²	38	72.9 Å²	72.9	27%	0.266	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.5	-176	69.7	0	0	0	0	112	N523	N523-S526 VanDerWaalsContact CG-OG 3.27Å; N523-S526 PolarHBondContact ND2-OG 3.43Å; N523-S526 WeakPolarHBondContact OD1-CB 3.47Å; N523-S526 PolarHBondContact OD1-N 3.42Å; N523-S526 PolarHBondContact OD1-OG 3.21Å
527	C	85.9	Confident	85.3	Confident	47 Å²	47	71 Å²	71	32%	0.318	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.7	173.8	-70.5	0	0	0	0	108.5	C514 I520	C514-C527 HydrophobicContact CB-CB 3.67Å; C514-C527 WeakPolarHBondContact CB-SG 3.25Å; C514-C527 WeakPolarHBondContact SG-CB 3.35Å; C514-C527 CovalentContact SG-SG 1.99Å; C514-C527 PolarHBondContact SG-SG 2.77Å; I520-C527 WeakPolarHBondContact O-CA 3.27Å
528	I	88.8	Confident	85.4	Confident	82 Å²	82	74.1 Å²	74.1	42%	0.421	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.2	-171.2	-55.1	-178.1	0	0	0	108.2	S519 I520 P522	S519-I528 CarbonylContact C-O 3.54Å; S519-I528 VanDerWaalsContact CA-O 3.24Å; S519-I528 WeakPolarHBondContact CA-O 3.37Å; S519-I528 WeakPolarHBondContact CB-O 3.36Å; I520-I528 HydrophobicContact CD1-CB 4.46Å; I520-I528 HydrophobicContact CG1-CB 3.95Å; I520-I528 WeakPolarHBondContact CG1-O 3.29Å; I520-I528 PolarHBondContact N-O 3.06Å; I520-I528 PolarHBondContact O-N 3.18Å; P522-I528 HydrophobicContact CG-CD1 3.78Å; P522-I528 HydrophobicContact CG-CG1 4.27Å
529	P	90.1	Very high	85.3	Confident	90 Å²	90	81.8 Å²	81.8	58%	0.584	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	135.6	178.5	28.3	-33.4	0	0	0	111.4	S519	S519-P529 WeakPolarHBondContact OG-CA 3.34Å
530	C	90.9	Very high	85.2	Confident	7 Å²	7	84.8 Å²	84.8	5%	0.047	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-69	149.5	174.1	-66.7	0	0	0	0	111.7	T518 Y534 C543	T518-C530 WeakPolarHBondContact O-CB 3.4Å; T518-C530 PolarHBondContact O-N 2.75Å; C530-Y534 WeakPolarHBondContact CB-O 3.21Å; C530-C543 WeakPolarHBondContact CA-SG 3.48Å; C530-C543 HydrophobicContact CB-CB 3.87Å; C530-C543 WeakPolarHBondContact CB-SG 3.44Å; C530-C543 WeakPolarHBondContact SG-CB 3.37Å; C530-C543 CovalentContact SG-SG 2.05Å; C530-C543 PolarHBondContact SG-SG 3.39Å
531	K	91.4	Very high	85.1	Confident	173 Å²	173	87 Å²	87	75%	0.752	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65	153.8	174.9	-67.8	-178.5	-179.3	176.7	0	110.5	G533 Y534	K531-G533 PolarHBondContact O-N 3.37Å; K531-Y534 HydrophobicContact CB-CD2 4.22Å; K531-Y534 PolarHBondContact O-N 3.11Å
532	I	88.3	Confident	85.3	Confident	101 Å²	101	88.2 Å²	88.2	52%	0.518	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	127.1	173.5	-60.5	171.4	0	0	0	108.7	Y699 R702	I532-Y699 HydrophobicContact CG2-CD2 3.65Å; I532-Y699 HydrophobicContact CG2-CE2 4.25Å; I532-Y699 HydrophobicContact CG2-CG 3.81Å; I532-R702 VanDerWaalsContact CG1-NH1 3.35Å
533	G	88.7	Confident	85.9	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.01	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.7	-5.3	-173.8	0	0	0	0	0	115.4	K531 M546 Y699	K531-G533 PolarHBondContact O-N 3.37Å; G533-M546 PolarHBondContact O-N 3.19Å; G533-Y699 VanDerWaalsContact CA-CE1 3.48Å
534	Y	92	Very high	86.7	Confident	99 Å²	99	86.3 Å²	86.3	39%	0.388	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	-178	-63.4	-103.7	0	0	0	111.2	C530 K531 C543 V544 R545	C530-Y534 WeakPolarHBondContact CB-O 3.21Å; K531-Y534 HydrophobicContact CB-CD2 4.22Å; K531-Y534 PolarHBondContact O-N 3.11Å; Y534-C543 WeakPolarHBondContact CD1-O 3.26Å; Y534-V544 CarbonylContact C-O 3.3Å; Y534-V544 VanDerWaalsContact CA-O 3.25Å; Y534-V544 WeakPolarHBondContact CA-O 3.34Å; Y534-R545 HydrophobicContact CD1-CB 4.04Å; Y534-R545 HydrophobicContact CE1-CB 3.8Å; Y534-R545 HydrophobicContact CE1-CG 4.34Å
535	L	90.3	Very high	87.7	Confident	47 Å²	47	84.2 Å²	84.2	25%	0.246	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.7	174.4	-71.4	172.8	0	0	0	109.7	E517 C543 V544 M546 L703	E517-L535 VanDerWaalsContact O-CD2 3.27Å; E517-L535 WeakPolarHBondContact O-CD2 3.49Å; L535-C543 CarbonylContact O-C 3.55Å; L535-V544 PolarHBondContact N-O 2.9Å; L535-V544 PolarHBondContact O-N 3.16Å; L535-V544 VanDerWaalsContact O-O 3.13Å; L535-M546 HydrophobicContact CB-CG 4.3Å; L535-M546 HydrophobicContact CD1-CG 3.62Å; L535-M546 HydrophobicContact CD1-SD 3.7Å; L535-M546 HydrophobicContact CD2-SD 4.32Å; L535-M546 HydrophobicContact CG-CG 3.53Å; L535-M546 HydrophobicContact CG-SD 3.72Å; L535-L703 HydrophobicContact CD2-CD2 3.81Å
536	P	90.8	Very high	88.5	Confident	24 Å²	24	79.8 Å²	79.8	16%	0.156	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	145.8	172.3	26.5	-32.5	0	0	0	110.9	T516 E517 I520 E542	T516-P536 WeakPolarHBondContact O-CG 3.41Å; E517-P536 VanDerWaalsContact O-CD 3.25Å; E517-P536 WeakPolarHBondContact O-CD 3.29Å; I520-P536 HydrophobicContact CG2-CB 3.95Å; P536-E542 WeakPolarHBondContact CA-O 3.41Å
537	D	88.6	Confident	89	Confident	34 Å²	34	84.9 Å²	84.9	18%	0.182	42%	0.417	C	S	.	.			trans	-65.8	172.1	166.1	68.1	-39.7	0	0	0	111.8	Y539 K540 S541 E542 V544	D537-Y539 PolarHBondContact O-N 3.35Å; D537-K540 PolarHBondContact O-N 3.24Å; D537-K540 VanDerWaalsContact OD1-C 3.31Å; D537-K540 VanDerWaalsContact OD1-CA 3.27Å; D537-K540 WeakPolarHBondContact OD1-CA 3.33Å; D537-K540 PolarHBondContact OD1-N 3.16Å; D537-S541 PolarHBondContact OD1-N 3.43Å; D537-S541 PolarHBondContact OD1-OG 3.18Å; D537-S541 PolarHBondContact OD2-OG 3.23Å; D537-E542 PolarHBondContact N-O 2.96Å; D537-E542 PolarHBondContact OD1-N 3.31Å; D537-V544 HydrophobicContact CB-CG2 3.84Å
538	E	85.9	Confident	89.2	Confident	176 Å²	176	85 Å²	85	82%	0.822	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.7	179.3	-170.4	177	177.3	0	0	112.6
539	Y	85	Confident	89.2	Confident	188 Å²	188	85.7 Å²	85.7	74%	0.737	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-2	178.3	-54.7	-77.3	0	0	0	113.9	D537 S541	D537-Y539 PolarHBondContact O-N 3.35Å; Y539-S541 PolarHBondContact O-N 3.42Å
540	K	84.4	Confident	89.2	Confident	77 Å²	77	86.3 Å²	86.3	34%	0.335	41%	0.41	S	S	.	.	S	Bend	trans	54.9	31.2	-177.6	-52.6	169.7	-173.2	168.8	0	113	T516 I520 M521 D537	T516-K540 HydrophobicContact CG2-CD 4.23Å; I520-K540 CarbonylContact C-O 3.59Å; I520-K540 WeakPolarHBondContact CA-O 3.38Å; I520-K540 WeakPolarHBondContact CB-O 3.3Å; M521-K540 PolarHBondContact N-O 2.89Å; D537-K540 PolarHBondContact O-N 3.24Å; D537-K540 VanDerWaalsContact OD1-C 3.31Å; D537-K540 VanDerWaalsContact OD1-CA 3.27Å; D537-K540 WeakPolarHBondContact OD1-CA 3.33Å; D537-K540 PolarHBondContact OD1-N 3.16Å
541	S	85.8	Confident	89.2	Confident	68 Å²	68	86.3 Å²	86.3	48%	0.476	41%	0.409	S	S	.	.	S	Bend	trans	-94.4	-35.3	-178.6	71.9	0	0	0	0	112.6	D537 Y539	D537-S541 PolarHBondContact OD1-N 3.43Å; D537-S541 PolarHBondContact OD1-OG 3.18Å; D537-S541 PolarHBondContact OD2-OG 3.23Å; Y539-S541 PolarHBondContact O-N 3.42Å
542	E	90.2	Very high	89.1	Confident	131 Å²	131	84 Å²	84	61%	0.612	40%	0.399	S	S	*	.	S	Bend	trans	-138.3	145.7	-173.3	-169.7	176.8	-177.4	0	0	111.6	P536 D537 V544	P536-E542 WeakPolarHBondContact CA-O 3.41Å; D537-E542 PolarHBondContact N-O 2.96Å; D537-E542 PolarHBondContact OD1-N 3.31Å; E542-V544 PolarHBondContact O-N 2.84Å
543	C	92.2	Very high	89.3	Confident	34 Å²	34	84.4 Å²	84.4	23%	0.23	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	106.4	172.6	-67.4	0	0	0	0	109.9	C530 Y534 L535	C530-C543 WeakPolarHBondContact CA-SG 3.48Å; C530-C543 HydrophobicContact CB-CB 3.87Å; C530-C543 WeakPolarHBondContact CB-SG 3.44Å; C530-C543 WeakPolarHBondContact SG-CB 3.37Å; C530-C543 CovalentContact SG-SG 2.05Å; C530-C543 PolarHBondContact SG-SG 3.39Å; Y534-C543 WeakPolarHBondContact CD1-O 3.26Å; L535-C543 CarbonylContact O-C 3.55Å
544	V	91.6	Very high	89.4	Confident	75 Å²	75	90.3 Å²	90.3	46%	0.455	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.1	178.9	-175.3	0	0	0	0	110.3	Y534 L535 D537 E542 M546	Y534-V544 CarbonylContact C-O 3.3Å; Y534-V544 VanDerWaalsContact CA-O 3.25Å; Y534-V544 WeakPolarHBondContact CA-O 3.34Å; L535-V544 PolarHBondContact N-O 2.9Å; L535-V544 PolarHBondContact O-N 3.16Å; L535-V544 VanDerWaalsContact O-O 3.13Å; D537-V544 HydrophobicContact CB-CG2 3.84Å; E542-V544 PolarHBondContact O-N 2.84Å; V544-M546 PolarHBondContact O-N 3.35Å
545	R	90.7	Very high	89.4	Confident	166 Å²	166	87.4 Å²	87.4	63%	0.626	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	131	180	-172.5	177.1	178.5	-178.2	0.2	110.7	Y534 I547	Y534-R545 HydrophobicContact CD1-CB 4.04Å; Y534-R545 HydrophobicContact CE1-CB 3.8Å; Y534-R545 HydrophobicContact CE1-CG 4.34Å; R545-I547 PolarHBondContact O-N 3.39Å
546	M	88.5	Confident	89.6	Confident	17 Å²	17	94.5 Å²	94.5	8%	0.084	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-61.1	136.7	175.3	-70.5	-166.4	-82.2	0	0	111.2	G533 L535 V544 P548 Y699 A705	G533-M546 PolarHBondContact O-N 3.19Å; L535-M546 HydrophobicContact CB-CG 4.3Å; L535-M546 HydrophobicContact CD1-CG 3.62Å; L535-M546 HydrophobicContact CD1-SD 3.7Å; L535-M546 HydrophobicContact CD2-SD 4.32Å; L535-M546 HydrophobicContact CG-CG 3.53Å; L535-M546 HydrophobicContact CG-SD 3.72Å; V544-M546 PolarHBondContact O-N 3.35Å; M546-P548 WeakPolarHBondContact O-CD 3.35Å; M546-Y699 HydrophobicContact CE-CD1 3.55Å; M546-Y699 HydrophobicContact CE-CE1 3.76Å; M546-A705 HydrophobicContact CB-CB 3.86Å; M546-A705 HydrophobicContact CE-CB 4.29Å; M546-A705 HydrophobicContact SD-CB 4.27Å
547	I	89.7	Confident	89.7	Confident	146 Å²	146	96.8 Å²	96.8	75%	0.749	45%	0.447	S	S	*	.			trans	-80.4	114.8	172.8	-58.9	171.1	0	0	0	107.7	R545 Q549	R545-I547 PolarHBondContact O-N 3.39Å; I547-Q549 PolarHBondContact O-N 2.77Å
548	P	88.5	Confident	89.9	Confident	49 Å²	49	95.2 Å²	95.2	32%	0.318	44%	0.438	S	S	.	.			trans	-67.3	135.1	-178.2	27.3	-33.1	0	0	0	111.1	M546 V697 A705 V707	M546-P548 WeakPolarHBondContact O-CD 3.35Å; P548-V697 HydrophobicContact CB-CG1 4.08Å; P548-V697 HydrophobicContact CB-CG2 4.22Å; P548-A705 CarbonylContact C-O 3.59Å; P548-A705 WeakPolarHBondContact CA-O 3.38Å; P548-A705 HydrophobicContact CB-CB 4.41Å; P548-V707 HydrophobicContact CB-CB 4.13Å
549	Q	89.8	Confident	90.3	Very high	97 Å²	97	89.9 Å²	89.9	45%	0.453	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-94.4	145.8	-177.7	-60.5	-174.6	1.3	0	0	111	I547 A705 V707 M780	I547-Q549 PolarHBondContact O-N 2.77Å; Q549-A705 PolarHBondContact N-O 3.06Å; Q549-V707 WeakPolarHBondContact O-CG1 3.49Å; Q549-V707 PolarHBondContact O-N 2.71Å; Q549-M780 HydrophobicContact CB-CE 3.52Å; Q549-M780 HydrophobicContact CG-CE 4.44Å
550	Y	90	Very high	90.8	Very high	103 Å²	103	84.3 Å²	84.3	40%	0.404	40%	0.401	S	S	.	.			trans	-138.7	169.7	174.2	54.6	-88.5	0	0	0	108.8	K552 P616 V707	Y550-K552 HydrophobicContact CE2-CG 4.38Å; Y550-K552 PolarHBondContact O-N 3.49Å; Y550-K552 VanDerWaalsContact O-N 3.13Å; Y550-P616 HydrophobicContact CD2-CB 4.34Å; Y550-P616 HydrophobicContact CD2-CG 3.96Å; Y550-P616 HydrophobicContact CE2-CG 3.88Å; Y550-V707 HydrophobicContact CD1-CG1 4.21Å; Y550-V707 HydrophobicContact CG-CG1 4.41Å
551	I	90.2	Very high	91.4	Very high	7 Å²	7	80.7 Å²	80.7	4%	0.036	39%	0.385	C	S	.	.			trans	-68.2	112.9	176.5	-59.6	177.2	0	0	0	108.8	W557 A558 L614 F783 Q784 T787	I551-W557 HydrophobicContact CG2-CB 4.16Å; I551-A558 HydrophobicContact CG2-CB 3.93Å; I551-L614 HydrophobicContact CG2-CD2 4.42Å; I551-F783 HydrophobicContact CD1-CE1 4.36Å; I551-F783 HydrophobicContact CG1-CE1 4.03Å; I551-Q784 HydrophobicContact CG1-CG 4.44Å; I551-T787 HydrophobicContact CD1-CG2 3.63Å
552	K	90.8	Very high	91.8	Very high	123 Å²	123	78 Å²	78	54%	0.535	37%	0.366	S	S	.	.			trans	-78.6	140.2	176.5	-61.2	-176.5	-179.9	179.9	0	110.3	Y550 N554 T555	Y550-K552 HydrophobicContact CE2-CG 4.38Å; Y550-K552 PolarHBondContact O-N 3.49Å; Y550-K552 VanDerWaalsContact O-N 3.13Å; K552-N554 WeakPolarHBondContact CB-OD1 3.43Å; K552-N554 PolarHBondContact O-N 3.11Å; K552-N554 VanDerWaalsContact O-N 3.14Å; K552-T555 HydrophobicContact CB-CG2 4.15Å; K552-T555 PolarHBondContact O-N 3.27Å; K552-T555 VanDerWaalsContact O-N 3.11Å; K552-T555 PolarHBondContact O-OG1 3.03Å
553	W	91.4	Very high	92.1	Very high	110 Å²	110	74.8 Å²	74.8	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	-179.4	-76.5	98.2	0	0	0	114.8	T555 I559 A562 F611 L614 N615	W553-T555 VanDerWaalsContact C-N 3.29Å; W553-T555 PolarHBondContact O-N 3.42Å; W553-I559 WeakPolarHBondContact O-CG1 3.45Å; W553-A562 HydrophobicContact CZ3-CB 4.11Å; W553-F611 HydrophobicContact CH2-CD1 4.13Å; W553-L614 HydrophobicContact CH2-CB 4.06Å; W553-L614 HydrophobicContact CH2-CD1 4.46Å; W553-L614 HydrophobicContact CZ2-CB 4.24Å; W553-L614 HydrophobicContact CZ3-CD1 4.33Å; W553-N615 WeakPolarHBondContact CZ2-OD1 3.29Å
554	N	91.2	Very high	92.3	Very high	126 Å²	126	76.8 Å²	76.8	67%	0.674	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	5.7	178.7	67.7	-25.3	0	0	0	114.1	K552	K552-N554 WeakPolarHBondContact CB-OD1 3.43Å; K552-N554 PolarHBondContact O-N 3.11Å; K552-N554 VanDerWaalsContact O-N 3.14Å
555	T	92.8	Very high	92.6	Very high	37 Å²	37	73.2 Å²	73.2	23%	0.227	34%	0.339	C	S	.	.	S	Bend	trans	-100	151.4	179.9	64.9	0	0	0	0	111.5	K552 W553 W557 A558 I559	K552-T555 HydrophobicContact CB-CG2 4.15Å; K552-T555 PolarHBondContact O-N 3.27Å; K552-T555 VanDerWaalsContact O-N 3.11Å; K552-T555 PolarHBondContact O-OG1 3.03Å; W553-T555 VanDerWaalsContact C-N 3.29Å; W553-T555 PolarHBondContact O-N 3.42Å; T555-W557 PolarHBondContact O-N 3.14Å; T555-W557 VanDerWaalsContact O-N 3.15Å; T555-A558 PolarHBondContact O-N 3.2Å; T555-I559 WeakPolarHBondContact O-CG1 3.48Å; T555-I559 PolarHBondContact O-N 2.87Å
556	W	93.2	Very high	92.9	Very high	197 Å²	197	68.2 Å²	68.2	75%	0.746	33%	0.327	S	S	*	.	H	α-helix	trans	-56.1	-30.5	175.6	-67.2	112.1	0	0	0	113	A558 I559 V560	W556-A558 PolarHBondContact O-N 3.3Å; W556-I559 PolarHBondContact O-N 3.03Å; W556-V560 HydrophobicContact CE3-CG2 4.2Å; W556-V560 WeakPolarHBondContact O-CB 3.42Å; W556-V560 WeakPolarHBondContact O-CG2 3.4Å; W556-V560 PolarHBondContact O-N 3.34Å; W556-V560 VanDerWaalsContact O-N 3.1Å
557	W	92.7	Very high	93.3	Very high	72 Å²	72	74.5 Å²	74.5	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-59.4	-30.4	174.1	-55.9	112.6	0	0	0	113.9	I551 T555 P561 F781 Q784 I785 T788	I551-W557 HydrophobicContact CG2-CB 4.16Å; T555-W557 PolarHBondContact O-N 3.14Å; T555-W557 VanDerWaalsContact O-N 3.15Å; W557-P561 WeakPolarHBondContact O-CD 3.07Å; W557-P561 WeakPolarHBondContact O-CG 2.94Å; W557-F781 AromaticContact CH2-CD2 3.95Å; W557-F781 HydrophobicContact CH2-CD2 3.95Å; W557-F781 AromaticContact CH2-CE2 3.47Å; W557-F781 HydrophobicContact CH2-CE2 3.47Å; W557-F781 VanDerWaalsContact CH2-CE2 3.47Å; W557-F781 HydrophobicContact CH2-CZ 4.08Å; W557-F781 AromaticContact CZ2-CD2 3.59Å; W557-F781 HydrophobicContact CZ2-CD2 3.59Å; W557-F781 AromaticContact CZ2-CE2 3.37Å; W557-F781 HydrophobicContact CZ2-CE2 3.37Å; W557-F781 HydrophobicContact CZ2-CZ 4.39Å; W557-Q784 VanDerWaalsContact CD1-CD 3.5Å; W557-Q784 HydrophobicContact CD2-CB 3.77Å; W557-Q784 HydrophobicContact CD2-CG 4.33Å; W557-Q784 HydrophobicContact CE3-CB 4.04Å; W557-Q784 HydrophobicContact CG-CB 4.04Å; W557-Q784 HydrophobicContact CG-CG 4.12Å; W557-Q784 HydrophobicContact CZ2-CB 4.45Å; W557-Q784 HydrophobicContact CZ3-CB 4.47Å; W557-I785 HydrophobicContact CH2-CG1 3.97Å; W557-I785 HydrophobicContact CZ3-CG1 3.96Å; W557-T788 HydrophobicContact CE3-CG2 4.24Å; W557-T788 PolarHBondContact O-OG1 3.12Å
558	A	93.5	Very high	93.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-95.1	-42.6	174.8	0	0	0	0	0	112.6	I551 T555 W556 V560 P561 A562 L614	I551-A558 HydrophobicContact CG2-CB 3.93Å; T555-A558 PolarHBondContact O-N 3.2Å; W556-A558 PolarHBondContact O-N 3.3Å; A558-V560 PolarHBondContact O-N 3.39Å; A558-P561 WeakPolarHBondContact O-CD 3.11Å; A558-A562 WeakPolarHBondContact O-CB 3.45Å; A558-A562 PolarHBondContact O-N 2.87Å; A558-L614 HydrophobicContact CB-CD1 4.37Å; A558-L614 HydrophobicContact CB-CD2 4.37Å; A558-L614 WeakPolarHBondContact O-CD1 3.43Å
559	I	95	Very high	94	Very high	65 Å²	65	66.9 Å²	66.9	33%	0.333	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-45	-173.8	-65.5	167.7	0	0	0	111	W553 T555 W556 T563	W553-I559 WeakPolarHBondContact O-CG1 3.45Å; T555-I559 WeakPolarHBondContact O-CG1 3.48Å; T555-I559 PolarHBondContact O-N 2.87Å; W556-I559 PolarHBondContact O-N 3.03Å; I559-T563 HydrophobicContact CG2-CG2 4.13Å; I559-T563 WeakPolarHBondContact O-CB 3.41Å; I559-T563 VanDerWaalsContact O-CG2 3.23Å; I559-T563 WeakPolarHBondContact O-CG2 3.46Å; I559-T563 PolarHBondContact O-N 3.14Å; I559-T563 PolarHBondContact O-OG1 3.15Å
560	V	94.8	Very high	94.4	Very high	71 Å²	71	67.3 Å²	67.3	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-51.8	-175.6	173.9	0	0	0	0	111.8	W556 A558 A562 T563 F564	W556-V560 HydrophobicContact CE3-CG2 4.2Å; W556-V560 WeakPolarHBondContact O-CB 3.42Å; W556-V560 WeakPolarHBondContact O-CG2 3.4Å; W556-V560 PolarHBondContact O-N 3.34Å; W556-V560 VanDerWaalsContact O-N 3.1Å; A558-V560 PolarHBondContact O-N 3.39Å; V560-A562 PolarHBondContact O-N 2.9Å; V560-T563 PolarHBondContact O-OG1 2.74Å; V560-F564 WeakPolarHBondContact O-CB 3.4Å; V560-F564 PolarHBondContact O-N 3.24Å; V560-F564 VanDerWaalsContact O-N 3.09Å
561	P	95.8	Very high	94.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-37.6	177.2	-20.4	33.4	0	0	0	113.1	W557 A558 F564 S565 T610 L614 T788 C791 I792	W557-P561 WeakPolarHBondContact O-CD 3.07Å; W557-P561 WeakPolarHBondContact O-CG 2.94Å; A558-P561 WeakPolarHBondContact O-CD 3.11Å; P561-F564 PolarHBondContact O-N 2.67Å; P561-S565 VanDerWaalsContact O-CB 3.27Å; P561-S565 WeakPolarHBondContact O-CB 3.23Å; P561-S565 PolarHBondContact O-N 3.34Å; P561-T610 HydrophobicContact CB-CG2 3.97Å; P561-L614 HydrophobicContact CB-CD1 4.38Å; P561-T788 HydrophobicContact CG-CG2 3.71Å; P561-C791 HydrophobicContact CB-CB 3.74Å; P561-C791 HydrophobicContact CG-CB 4.3Å; P561-I792 HydrophobicContact CB-CG1 4.43Å; P561-I792 HydrophobicContact CG-CG1 4.25Å
562	A	95.9	Very high	95	Very high	11 Å²	11	64 Å²	64	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-43.6	-180	0	0	0	0	0	112.1	W553 A558 V560 T566 L614	W553-A562 HydrophobicContact CZ3-CB 4.11Å; A558-A562 WeakPolarHBondContact O-CB 3.45Å; A558-A562 PolarHBondContact O-N 2.87Å; V560-A562 PolarHBondContact O-N 2.9Å; A562-T566 WeakPolarHBondContact O-CB 3.39Å; A562-T566 PolarHBondContact O-N 3.23Å; A562-T566 PolarHBondContact O-OG1 3.45Å; A562-L614 HydrophobicContact CB-CD1 3.93Å
563	T	96.2	Very high	95.2	Very high	65 Å²	65	62 Å²	62	40%	0.399	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-47.9	176	51.6	0	0	0	0	110.9	I559 V560 S565 T566 F567	I559-T563 HydrophobicContact CG2-CG2 4.13Å; I559-T563 WeakPolarHBondContact O-CB 3.41Å; I559-T563 VanDerWaalsContact O-CG2 3.23Å; I559-T563 WeakPolarHBondContact O-CG2 3.46Å; I559-T563 PolarHBondContact O-N 3.14Å; I559-T563 PolarHBondContact O-OG1 3.15Å; V560-T563 PolarHBondContact O-OG1 2.74Å; T563-S565 PolarHBondContact O-N 3.18Å; T563-T566 PolarHBondContact O-N 3.12Å; T563-F567 WeakPolarHBondContact O-CD2 3.47Å; T563-F567 PolarHBondContact O-N 3.34Å
564	F	96.5	Very high	95.5	Very high	76 Å²	76	62.1 Å²	62.1	33%	0.333	31%	0.312	S	S	.	.	H	α-helix	trans	-56.1	-47.6	176.6	-175.3	-97.2	0	0	0	112.3	V560 P561 F567 G568 Y607 L796 T799	V560-F564 WeakPolarHBondContact O-CB 3.4Å; V560-F564 PolarHBondContact O-N 3.24Å; V560-F564 VanDerWaalsContact O-N 3.09Å; P561-F564 PolarHBondContact O-N 2.67Å; F564-F567 PolarHBondContact O-N 3.06Å; F564-G568 PolarHBondContact O-N 3.31Å; F564-Y607 HydrophobicContact CE1-CE1 4.44Å; F564-L796 HydrophobicContact CE1-CD2 4.41Å; F564-L796 HydrophobicContact CZ-CD2 3.92Å; F564-T799 WeakPolarHBondContact CE1-OG1 3.46Å; F564-T799 HydrophobicContact CZ-CG2 4.21Å; F564-T799 VanDerWaalsContact CZ-OG1 3.28Å; F564-T799 WeakPolarHBondContact CZ-OG1 3.28Å
565	S	96.7	Very high	95.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-41.6	177.1	173	0	0	0	0	112.4	P561 T563 F567 G568 I569 Y607	P561-S565 VanDerWaalsContact O-CB 3.27Å; P561-S565 WeakPolarHBondContact O-CB 3.23Å; P561-S565 PolarHBondContact O-N 3.34Å; T563-S565 PolarHBondContact O-N 3.18Å; S565-F567 PolarHBondContact O-N 3.38Å; S565-G568 CarbonylContact O-C 3.22Å; S565-G568 WeakPolarHBondContact O-CA 3.5Å; S565-G568 PolarHBondContact O-N 2.86Å; S565-G568 VanDerWaalsContact O-N 3.11Å; S565-I569 WeakPolarHBondContact O-CG1 3.49Å; S565-I569 PolarHBondContact O-N 2.71Å; S565-Y607 VanDerWaalsContact OG-C 3.25Å; S565-Y607 WeakPolarHBondContact OG-CB 3.26Å; S565-Y607 PolarHBondContact OG-O 2.9Å
566	T	96.8	Very high	95.8	Very high	61 Å²	61	57.3 Å²	57.3	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-45.1	178.1	-57.2	0	0	0	0	111.4	A562 T563 G568 I569 L570	A562-T566 WeakPolarHBondContact O-CB 3.39Å; A562-T566 PolarHBondContact O-N 3.23Å; A562-T566 PolarHBondContact O-OG1 3.45Å; T563-T566 PolarHBondContact O-N 3.12Å; T566-G568 VanDerWaalsContact C-N 3.31Å; T566-G568 PolarHBondContact O-N 3.43Å; T566-I569 PolarHBondContact O-N 3.09Å; T566-L570 HydrophobicContact CG2-CD1 4.39Å; T566-L570 WeakPolarHBondContact O-CG 2.97Å; T566-L570 PolarHBondContact O-N 3.33Å
567	F	96.8	Very high	95.8	Very high	148 Å²	148	54.3 Å²	54.3	65%	0.649	28%	0.275	S	S	*	.	H	α-helix	trans	-60.5	-41.6	172.6	-78.3	-67	0	0	0	111.7	T563 F564 S565 I569 L570 A571	T563-F567 WeakPolarHBondContact O-CD2 3.47Å; T563-F567 PolarHBondContact O-N 3.34Å; F564-F567 PolarHBondContact O-N 3.06Å; S565-F567 PolarHBondContact O-N 3.38Å; F567-I569 PolarHBondContact O-N 2.79Å; F567-L570 PolarHBondContact O-N 3.35Å; F567-A571 WeakPolarHBondContact O-CB 3.19Å; F567-A571 PolarHBondContact O-N 2.6Å
568	G	96.8	Very high	95.9	Very high	7 Å²	7	51.6 Å²	51.6	7%	0.072	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-42.5	175	0	0	0	0	0	113.7	F564 S565 T566 S572 Y607	F564-G568 PolarHBondContact O-N 3.31Å; S565-G568 CarbonylContact O-C 3.22Å; S565-G568 WeakPolarHBondContact O-CA 3.5Å; S565-G568 PolarHBondContact O-N 2.86Å; S565-G568 VanDerWaalsContact O-N 3.11Å; T566-G568 VanDerWaalsContact C-N 3.31Å; T566-G568 PolarHBondContact O-N 3.43Å; G568-S572 VanDerWaalsContact O-CB 3.31Å; G568-S572 WeakPolarHBondContact O-CB 3.41Å; G568-S572 PolarHBondContact O-N 2.8Å; G568-S572 PolarHBondContact O-OG 3.45Å; G568-Y607 VanDerWaalsContact C-CE2 3.47Å; G568-Y607 VanDerWaalsContact CA-CZ 3.44Å; G568-Y607 WeakPolarHBondContact O-CE2 3.36Å
569	I	97.4	Very high	95.8	Very high	29 Å²	29	51.6 Å²	51.6	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-49.9	176.1	-68.9	167.7	0	0	0	110.3	S565 T566 F567 A571 S572 L573 Y607 F611	S565-I569 WeakPolarHBondContact O-CG1 3.49Å; S565-I569 PolarHBondContact O-N 2.71Å; T566-I569 PolarHBondContact O-N 3.09Å; F567-I569 PolarHBondContact O-N 2.79Å; I569-A571 VanDerWaalsContact C-N 3.33Å; I569-A571 PolarHBondContact O-N 3.22Å; I569-S572 PolarHBondContact O-N 2.8Å; I569-S572 VanDerWaalsContact O-N 3.15Å; I569-L573 HydrophobicContact CG2-CD1 3.84Å; I569-L573 HydrophobicContact CG2-CG 4.24Å; I569-L573 WeakPolarHBondContact O-CB 3.34Å; I569-L573 WeakPolarHBondContact O-CG 3.29Å; I569-L573 PolarHBondContact O-N 2.91Å; I569-Y607 VanDerWaalsContact CG1-CB 3.45Å; I569-Y607 HydrophobicContact CG1-CD2 4.46Å; I569-Y607 HydrophobicContact CG1-CG 4.23Å; I569-F611 HydrophobicContact CD1-CE2 3.61Å; I569-F611 HydrophobicContact CD1-CZ 4.18Å
570	L	97.4	Very high	95.7	Very high	105 Å²	105	52.5 Å²	52.5	55%	0.55	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-44.8	179.1	-68.9	174.6	0	0	0	111.5	T566 F567 S572 L573 F574	T566-L570 HydrophobicContact CG2-CD1 4.39Å; T566-L570 WeakPolarHBondContact O-CG 2.97Å; T566-L570 PolarHBondContact O-N 3.33Å; F567-L570 PolarHBondContact O-N 3.35Å; L570-S572 PolarHBondContact O-N 2.99Å; L570-L573 PolarHBondContact O-N 3.38Å; L570-F574 WeakPolarHBondContact O-CB 3.4Å; L570-F574 PolarHBondContact O-N 3.44Å
571	A	96.3	Very high	95.5	Very high	41 Å²	41	54.7 Å²	54.7	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-40.3	176	0	0	0	0	0	112.1	F567 I569 F574 V575 L802	F567-A571 WeakPolarHBondContact O-CB 3.19Å; F567-A571 PolarHBondContact O-N 2.6Å; I569-A571 VanDerWaalsContact C-N 3.33Å; I569-A571 PolarHBondContact O-N 3.22Å; A571-F574 WeakPolarHBondContact O-CB 3.47Å; A571-F574 PolarHBondContact O-N 3.3Å; A571-V575 WeakPolarHBondContact O-CG2 3.12Å; A571-V575 PolarHBondContact O-N 3.4Å; A571-L802 HydrophobicContact CB-CD2 3.83Å
572	S	96.3	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-39.2	178.7	-57.5	0	0	0	0	112.5	G568 I569 L570 F574 V575 L576 I603 Y607	G568-S572 VanDerWaalsContact O-CB 3.31Å; G568-S572 WeakPolarHBondContact O-CB 3.41Å; G568-S572 PolarHBondContact O-N 2.8Å; G568-S572 PolarHBondContact O-OG 3.45Å; I569-S572 PolarHBondContact O-N 2.8Å; I569-S572 VanDerWaalsContact O-N 3.15Å; L570-S572 PolarHBondContact O-N 2.99Å; S572-F574 VanDerWaalsContact C-N 3.35Å; S572-V575 PolarHBondContact O-N 3.01Å; S572-L576 WeakPolarHBondContact O-CB 3.49Å; S572-L576 PolarHBondContact O-N 3.36Å; S572-I603 WeakPolarHBondContact OG-CG2 3.19Å; S572-Y607 WeakPolarHBondContact OG-CE2 3.39Å
573	L	96.7	Very high	94.8	Very high	82 Å²	82	60.1 Å²	60.1	43%	0.429	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-38.3	173.4	-70.5	175.4	0	0	0	111.4	I569 L570 L576 Y577 I604	I569-L573 HydrophobicContact CG2-CD1 3.84Å; I569-L573 HydrophobicContact CG2-CG 4.24Å; I569-L573 WeakPolarHBondContact O-CB 3.34Å; I569-L573 WeakPolarHBondContact O-CG 3.29Å; I569-L573 PolarHBondContact O-N 2.91Å; L570-L573 PolarHBondContact O-N 3.38Å; L573-L576 HydrophobicContact CD2-CD2 4.5Å; L573-L576 PolarHBondContact O-N 3.47Å; L573-Y577 WeakPolarHBondContact O-CB 3.19Å; L573-Y577 PolarHBondContact O-N 2.68Å; L573-I604 HydrophobicContact CD2-CD1 4.02Å
574	F	95.9	Very high	94.2	Very high	111 Å²	111	63.8 Å²	63.8	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-47.5	172.7	177.6	-104.5	0	0	0	111.5	L570 A571 S572 L576 Y577 I578 I814	L570-F574 WeakPolarHBondContact O-CB 3.4Å; L570-F574 PolarHBondContact O-N 3.44Å; A571-F574 WeakPolarHBondContact O-CB 3.47Å; A571-F574 PolarHBondContact O-N 3.3Å; S572-F574 VanDerWaalsContact C-N 3.35Å; F574-L576 VanDerWaalsContact C-N 3.35Å; F574-L576 PolarHBondContact O-N 2.76Å; F574-Y577 PolarHBondContact O-N 3.31Å; F574-I578 HydrophobicContact CE1-CG1 4.2Å; F574-I578 HydrophobicContact CE2-CD1 4.24Å; F574-I578 HydrophobicContact CE2-CG1 4.18Å; F574-I578 HydrophobicContact CZ-CD1 4.19Å; F574-I578 HydrophobicContact CZ-CG1 3.99Å; F574-I578 WeakPolarHBondContact O-CG1 3.38Å; F574-I578 PolarHBondContact O-N 2.6Å; F574-I814 HydrophobicContact CE1-CD1 4.14Å; F574-I814 HydrophobicContact CZ-CD1 4.17Å
575	V	95.5	Very high	93.7	Very high	12 Å²	12	61.3 Å²	61.3	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-44.5	174.9	172.6	0	0	0	0	111.2	A571 S572 Y577 I578 F579 L600 L802 F806 M810	A571-V575 WeakPolarHBondContact O-CG2 3.12Å; A571-V575 PolarHBondContact O-N 3.4Å; S572-V575 PolarHBondContact O-N 3.01Å; V575-Y577 PolarHBondContact O-N 3.33Å; V575-I578 PolarHBondContact O-N 3.24Å; V575-F579 HydrophobicContact CG1-CD2 3.75Å; V575-F579 HydrophobicContact CG1-CE2 3.83Å; V575-F579 WeakPolarHBondContact O-CB 3.02Å; V575-F579 VanDerWaalsContact O-CD2 3.28Å; V575-F579 WeakPolarHBondContact O-CD2 3.49Å; V575-F579 PolarHBondContact O-N 3.03Å; V575-L600 HydrophobicContact CB-CD2 4.35Å; V575-L600 HydrophobicContact CG1-CD1 4.4Å; V575-L600 HydrophobicContact CG1-CD2 3.85Å; V575-L802 HydrophobicContact CB-CD1 4.25Å; V575-L802 HydrophobicContact CG1-CD1 4.5Å; V575-L802 HydrophobicContact CG2-CD1 3.86Å; V575-F806 HydrophobicContact CG1-CB 4.08Å; V575-F806 HydrophobicContact CG1-CD1 3.9Å; V575-F806 HydrophobicContact CG1-CG 4.11Å; V575-M810 HydrophobicContact CB-SD 4.25Å; V575-M810 HydrophobicContact CG1-CG 4.15Å; V575-M810 HydrophobicContact CG1-SD 3.88Å; V575-M810 HydrophobicContact CG2-CG 3.96Å; V575-M810 HydrophobicContact CG2-SD 4.17Å
576	L	94.9	Very high	93	Very high	50 Å²	50	63.7 Å²	63.7	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-45.6	176.9	179.5	62.7	0	0	0	111.6	S572 L573 F574 F579 V580 Y597 L600 I604	S572-L576 WeakPolarHBondContact O-CB 3.49Å; S572-L576 PolarHBondContact O-N 3.36Å; L573-L576 HydrophobicContact CD2-CD2 4.5Å; L573-L576 PolarHBondContact O-N 3.47Å; F574-L576 VanDerWaalsContact C-N 3.35Å; F574-L576 PolarHBondContact O-N 2.76Å; L576-F579 PolarHBondContact O-N 3.08Å; L576-V580 HydrophobicContact CD1-CG2 4.25Å; L576-V580 VanDerWaalsContact O-CG2 3.31Å; L576-V580 WeakPolarHBondContact O-CG2 3.18Å; L576-V580 PolarHBondContact O-N 3.15Å; L576-Y597 HydrophobicContact CD1-CD1 3.83Å; L576-Y597 HydrophobicContact CD1-CE1 4.09Å; L576-L600 HydrophobicContact CB-CD1 4.34Å; L576-L600 HydrophobicContact CD1-CD1 3.97Å; L576-I604 HydrophobicContact CD2-CD1 4.26Å
577	Y	95.1	Very high	92.4	Very high	135 Å²	135	63 Å²	63	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-49.4	176.6	171	-99.2	0	0	0	111.6	L573 F574 V575 F579 V580 Q581	L573-Y577 WeakPolarHBondContact O-CB 3.19Å; L573-Y577 PolarHBondContact O-N 2.68Å; F574-Y577 PolarHBondContact O-N 3.31Å; V575-Y577 PolarHBondContact O-N 3.33Å; Y577-F579 VanDerWaalsContact C-N 3.34Å; Y577-F579 PolarHBondContact O-N 3.41Å; Y577-V580 PolarHBondContact O-N 3.11Å; Y577-Q581 HydrophobicContact CD1-CG 4.44Å; Y577-Q581 HydrophobicContact CD2-CG 4.3Å; Y577-Q581 HydrophobicContact CE1-CG 4.04Å; Y577-Q581 HydrophobicContact CE2-CG 3.9Å; Y577-Q581 WeakPolarHBondContact O-CB 3.48Å; Y577-Q581 WeakPolarHBondContact O-CG 3.06Å; Y577-Q581 PolarHBondContact O-N 3.01Å
578	I	93.1	Very high	91.9	Very high	15 Å²	15	56 Å²	56	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-41.6	177.4	-62.2	-63.9	0	0	0	110.8	F574 V575 V580 Q581 F582 M810 V813	F574-I578 HydrophobicContact CE1-CG1 4.2Å; F574-I578 HydrophobicContact CE2-CD1 4.24Å; F574-I578 HydrophobicContact CE2-CG1 4.18Å; F574-I578 HydrophobicContact CZ-CD1 4.19Å; F574-I578 HydrophobicContact CZ-CG1 3.99Å; F574-I578 WeakPolarHBondContact O-CG1 3.38Å; F574-I578 PolarHBondContact O-N 2.6Å; V575-I578 PolarHBondContact O-N 3.24Å; I578-V580 VanDerWaalsContact C-N 3.34Å; I578-V580 PolarHBondContact O-N 3.12Å; I578-Q581 PolarHBondContact O-N 3.39Å; I578-F582 HydrophobicContact CD1-CE2 4.46Å; I578-F582 HydrophobicContact CG2-CD2 3.79Å; I578-F582 HydrophobicContact CG2-CE2 4.26Å; I578-F582 WeakPolarHBondContact O-CB 3.37Å; I578-F582 WeakPolarHBondContact O-CD2 3.34Å; I578-F582 PolarHBondContact O-N 3.34Å; I578-M810 HydrophobicContact CB-CE 4.17Å; I578-M810 HydrophobicContact CB-SD 3.82Å; I578-M810 HydrophobicContact CG2-CE 3.39Å; I578-M810 HydrophobicContact CG2-SD 3.64Å; I578-V813 HydrophobicContact CG2-CG1 3.89Å
579	F	91.6	Very high	91.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-38.8	177.6	-95.3	-113.3	0	0	0	112.9	V575 L576 Y577 N583 I588 C596 Y597 L600 F806 K809 M810	V575-F579 HydrophobicContact CG1-CD2 3.75Å; V575-F579 HydrophobicContact CG1-CE2 3.83Å; V575-F579 WeakPolarHBondContact O-CB 3.02Å; V575-F579 VanDerWaalsContact O-CD2 3.28Å; V575-F579 WeakPolarHBondContact O-CD2 3.49Å; V575-F579 PolarHBondContact O-N 3.03Å; L576-F579 PolarHBondContact O-N 3.08Å; Y577-F579 VanDerWaalsContact C-N 3.34Å; Y577-F579 PolarHBondContact O-N 3.41Å; F579-N583 VanDerWaalsContact O-CA 3.25Å; F579-N583 WeakPolarHBondContact O-CA 3.36Å; F579-N583 WeakPolarHBondContact O-CB 3.37Å; F579-N583 PolarHBondContact O-N 3.11Å; F579-I588 HydrophobicContact CD1-CD1 4.38Å; F579-I588 HydrophobicContact CD1-CG1 4.31Å; F579-I588 HydrophobicContact CD1-CG2 4Å; F579-I588 HydrophobicContact CE1-CG1 4.22Å; F579-I588 HydrophobicContact CE1-CG2 4.29Å; F579-I588 HydrophobicContact CG-CD1 4.32Å; F579-C596 HydrophobicContact CE1-CB 4.19Å; F579-Y597 HydrophobicContact CB-CE1 4.2Å; F579-Y597 PolarHBondContact O-OH 3.13Å; F579-L600 HydrophobicContact CG-CD1 4.49Å; F579-F806 HydrophobicContact CE1-CD1 4.14Å; F579-F806 AromaticContact CE1-CE1 3.84Å; F579-F806 HydrophobicContact CE1-CE1 3.84Å; F579-F806 AromaticContact CE2-CD1 3.68Å; F579-F806 HydrophobicContact CE2-CD1 3.68Å; F579-F806 HydrophobicContact CE2-CE1 4.15Å; F579-F806 AromaticContact CZ-CD1 3.43Å; F579-F806 HydrophobicContact CZ-CD1 3.43Å; F579-F806 VanDerWaalsContact CZ-CD1 3.43Å; F579-F806 AromaticContact CZ-CE1 3.63Å; F579-F806 HydrophobicContact CZ-CE1 3.63Å; F579-K809 HydrophobicContact CZ-CD 4.39Å; F579-M810 HydrophobicContact CD2-CE 3.49Å; F579-M810 VanDerWaalsContact CD2-CE 3.49Å; F579-M810 HydrophobicContact CD2-SD 3.74Å; F579-M810 HydrophobicContact CE2-CE 3.27Å; F579-M810 HydrophobicContact CE2-CG 4.29Å; F579-M810 HydrophobicContact CE2-SD 3.68Å; F579-M810 HydrophobicContact CZ-CE 4.36Å
580	V	92.5	Very high	90.4	Very high	83 Å²	83	63.9 Å²	63.9	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-69.7	-45.4	176.5	171.3	0	0	0	0	110.9	L576 Y577 I578 N583 Y597	L576-V580 HydrophobicContact CD1-CG2 4.25Å; L576-V580 VanDerWaalsContact O-CG2 3.31Å; L576-V580 WeakPolarHBondContact O-CG2 3.18Å; L576-V580 PolarHBondContact O-N 3.15Å; Y577-V580 PolarHBondContact O-N 3.11Å; I578-V580 VanDerWaalsContact C-N 3.34Å; I578-V580 PolarHBondContact O-N 3.12Å; V580-N583 VanDerWaalsContact O-CB 3.31Å; V580-N583 WeakPolarHBondContact O-CB 3.26Å; V580-N583 PolarHBondContact O-N 3.17Å; V580-Y597 HydrophobicContact CG2-CE1 4.06Å
581	Q	92.1	Very high	89.6	Confident	118 Å²	118	59.1 Å²	59.1	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-61.6	-45.2	178.3	-74.1	-66.3	-12.3	0	0	112	Y577 I578	Y577-Q581 HydrophobicContact CD1-CG 4.44Å; Y577-Q581 HydrophobicContact CD2-CG 4.3Å; Y577-Q581 HydrophobicContact CE1-CG 4.04Å; Y577-Q581 HydrophobicContact CE2-CG 3.9Å; Y577-Q581 WeakPolarHBondContact O-CB 3.48Å; Y577-Q581 WeakPolarHBondContact O-CG 3.06Å; Y577-Q581 PolarHBondContact O-N 3.01Å; I578-Q581 PolarHBondContact O-N 3.39Å
582	F	89.6	Confident	89	Confident	89 Å²	89	57.8 Å²	57.8	39%	0.39	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	22.6	-177.6	-65.3	-79.6	0	0	0	113.3	I578 N584 T585 I588 V813	I578-F582 HydrophobicContact CD1-CE2 4.46Å; I578-F582 HydrophobicContact CG2-CD2 3.79Å; I578-F582 HydrophobicContact CG2-CE2 4.26Å; I578-F582 WeakPolarHBondContact O-CB 3.37Å; I578-F582 WeakPolarHBondContact O-CD2 3.34Å; I578-F582 PolarHBondContact O-N 3.34Å; F582-N584 PolarHBondContact O-N 2.87Å; F582-T585 HydrophobicContact CB-CG2 3.81Å; F582-T585 HydrophobicContact CD1-CG2 3.92Å; F582-T585 HydrophobicContact CG-CG2 4.35Å; F582-T585 WeakPolarHBondContact O-CB 3.2Å; F582-T585 WeakPolarHBondContact O-CG2 3.22Å; F582-T585 PolarHBondContact O-N 3.19Å; F582-T585 PolarHBondContact O-OG1 3.31Å; F582-I588 HydrophobicContact CB-CD1 3.79Å; F582-I588 WeakPolarHBondContact O-CD1 3.33Å; F582-V813 HydrophobicContact CB-CG1 4.06Å; F582-V813 HydrophobicContact CD1-CG1 4.38Å; F582-V813 HydrophobicContact CD2-CG1 3.74Å; F582-V813 HydrophobicContact CE2-CG1 4.26Å; F582-V813 HydrophobicContact CG-CG1 3.8Å
583	N	87.2	Confident	88.6	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.193	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.9	-174.5	-170.8	12.4	0	0	0	113.7	F579 V580 T585 R593 Y597	F579-N583 VanDerWaalsContact O-CA 3.25Å; F579-N583 WeakPolarHBondContact O-CA 3.36Å; F579-N583 WeakPolarHBondContact O-CB 3.37Å; F579-N583 PolarHBondContact O-N 3.11Å; V580-N583 VanDerWaalsContact O-CB 3.31Å; V580-N583 WeakPolarHBondContact O-CB 3.26Å; V580-N583 PolarHBondContact O-N 3.17Å; N583-T585 VanDerWaalsContact C-N 3.34Å; N583-R593 WeakPolarHBondContact OD1-CD 3.5Å; N583-Y597 PolarHBondContact ND2-OH 3.38Å; N583-Y597 PolarHBondContact OD1-OH 3.24Å
584	N	84.2	Confident	88.3	Confident	142 Å²	142	61 Å²	61	76%	0.759	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.7	178.3	-69.5	-34.8	0	0	0	114.1	F582	F582-N584 PolarHBondContact O-N 2.87Å
585	T	86	Confident	88.1	Confident	23 Å²	23	55.9 Å²	55.9	14%	0.141	29%	0.285	C	S	.	.	S	Bend	trans	-71.1	142.5	-178.8	61.7	0	0	0	0	111.9	F582 N583 L587 I588 K589 N820	F582-T585 HydrophobicContact CB-CG2 3.81Å; F582-T585 HydrophobicContact CD1-CG2 3.92Å; F582-T585 HydrophobicContact CG-CG2 4.35Å; F582-T585 WeakPolarHBondContact O-CB 3.2Å; F582-T585 WeakPolarHBondContact O-CG2 3.22Å; F582-T585 PolarHBondContact O-N 3.19Å; F582-T585 PolarHBondContact O-OG1 3.31Å; N583-T585 VanDerWaalsContact C-N 3.34Å; T585-L587 VanDerWaalsContact C-N 3.26Å; T585-L587 PolarHBondContact O-N 3.09Å; T585-I588 PolarHBondContact O-N 3.18Å; T585-K589 WeakPolarHBondContact O-CB 3.34Å; T585-K589 PolarHBondContact O-N 3.22Å; T585-N820 VanDerWaalsContact CB-ND2 3.29Å; T585-N820 WeakPolarHBondContact CB-ND2 3.36Å; T585-N820 WeakPolarHBondContact CB-OD1 3.21Å; T585-N820 WeakPolarHBondContact CG2-ND2 3.03Å; T585-N820 PolarHBondContact OG1-ND2 3.37Å
586	P	81.8	Confident	88	Confident	51 Å²	51	55.3 Å²	55.3	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-52.3	-39.1	-178.2	-28.6	33.8	0	0	0	114.4	A590 N820 V822	P586-A590 WeakPolarHBondContact O-CB 3.28Å; P586-A590 PolarHBondContact O-N 3.3Å; P586-N820 WeakPolarHBondContact CD-O 3.48Å; P586-V822 HydrophobicContact CB-CG2 3.79Å; P586-V822 HydrophobicContact CG-CG2 3.63Å
587	L	84	Confident	88	Confident	46 Å²	46	55.3 Å²	55.3	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-47.6	-179.4	-176.2	72.1	0	0	0	112.2	T585 S591 K809 I812 V813 N820	T585-L587 VanDerWaalsContact C-N 3.26Å; T585-L587 PolarHBondContact O-N 3.09Å; L587-S591 WeakPolarHBondContact O-CB 3.18Å; L587-S591 PolarHBondContact O-N 3.26Å; L587-S591 VanDerWaalsContact O-N 3.16Å; L587-S591 PolarHBondContact O-OG 2.81Å; L587-K809 HydrophobicContact CD2-CB 4.42Å; L587-I812 HydrophobicContact CD2-CB 3.99Å; L587-I812 HydrophobicContact CD2-CG2 3.79Å; L587-V813 HydrophobicContact CD2-CG2 3.9Å; L587-N820 WeakPolarHBondContact CB-OD1 3.19Å; L587-N820 PolarHBondContact N-OD1 3.41Å
588	I	85.6	Confident	88	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-70.3	-43	-179.2	-68.7	170.2	0	0	0	110.1	F579 F582 T585 S591 R593 V813	F579-I588 HydrophobicContact CD1-CD1 4.38Å; F579-I588 HydrophobicContact CD1-CG1 4.31Å; F579-I588 HydrophobicContact CD1-CG2 4Å; F579-I588 HydrophobicContact CE1-CG1 4.22Å; F579-I588 HydrophobicContact CE1-CG2 4.29Å; F579-I588 HydrophobicContact CG-CD1 4.32Å; F582-I588 HydrophobicContact CB-CD1 3.79Å; F582-I588 WeakPolarHBondContact O-CD1 3.33Å; T585-I588 PolarHBondContact O-N 3.18Å; I588-S591 WeakPolarHBondContact O-CB 3.43Å; I588-S591 PolarHBondContact O-N 3.48Å; I588-R593 HydrophobicContact CG2-CB 4.33Å; I588-V813 HydrophobicContact CD1-CG2 4.27Å
589	K	83.9	Confident	88	Confident	139 Å²	139	50.1 Å²	50.1	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-62.4	-44.6	177.9	-169	173.3	-179.3	177.5	0	112.1	T585 S591 G592	T585-K589 WeakPolarHBondContact O-CB 3.34Å; T585-K589 PolarHBondContact O-N 3.22Å; K589-S591 VanDerWaalsContact C-N 3.32Å; K589-S591 PolarHBondContact O-N 3.41Å; K589-G592 PolarHBondContact O-N 3.01Å
590	A	78.9	Confident	88.2	Confident	62 Å²	62	50.1 Å²	50.1	51%	0.512	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-35.6	178.2	0	0	0	0	0	112.6	P586 G592	P586-A590 WeakPolarHBondContact O-CB 3.28Å; P586-A590 PolarHBondContact O-N 3.3Å; A590-G592 PolarHBondContact O-N 3.5Å
591	S	81.4	Confident	88.4	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.035	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.2	178.7	-67.1	0	0	0	0	114	L587 I588 K589 K643 K809	L587-S591 WeakPolarHBondContact O-CB 3.18Å; L587-S591 PolarHBondContact O-N 3.26Å; L587-S591 VanDerWaalsContact O-N 3.16Å; L587-S591 PolarHBondContact O-OG 2.81Å; I588-S591 WeakPolarHBondContact O-CB 3.43Å; I588-S591 PolarHBondContact O-N 3.48Å; K589-S591 VanDerWaalsContact C-N 3.32Å; K589-S591 PolarHBondContact O-N 3.41Å; S591-K643 WeakPolarHBondContact O-CE 3.26Å; S591-K643 PolarHBondContact O-NZ 3.02Å; S591-K809 PolarHBondContact OG-NZ 2.99Å
592	G	83.5	Confident	88.6	Confident	13 Å²	13	43.3 Å²	43.3	13%	0.134	23%	0.234	C	C	.	.			trans	74.7	74.4	-172.2	0	0	0	0	0	111	K589 A590 E594 L595 C596	K589-G592 PolarHBondContact O-N 3.01Å; A590-G592 PolarHBondContact O-N 3.5Å; G592-E594 VanDerWaalsContact C-N 3.26Å; G592-E594 PolarHBondContact O-N 3.46Å; G592-L595 PolarHBondContact O-N 3.31Å; G592-C596 PolarHBondContact O-N 2.03Å; G592-C596 PolarHBondContact O-SG 3.36Å
593	R	86.9	Confident	88.9	Confident	85 Å²	85	39 Å²	39	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-50	-40.2	-175.9	63.9	-177.6	-176.8	-171.5	2.9	114.3	N583 I588 L595 C596 Y597	N583-R593 WeakPolarHBondContact OD1-CD 3.5Å; I588-R593 HydrophobicContact CG2-CB 4.33Å; R593-L595 PolarHBondContact O-N 3.45Å; R593-C596 WeakPolarHBondContact O-CA 3.5Å; R593-C596 WeakPolarHBondContact O-CB 3.45Å; R593-C596 PolarHBondContact O-N 2.9Å; R593-C596 VanDerWaalsContact O-N 3.08Å; R593-Y597 HydrophobicContact CB-CE2 4.08Å; R593-Y597 HydrophobicContact CG-CE2 4.45Å; R593-Y597 WeakPolarHBondContact O-CD2 3.36Å; R593-Y597 PolarHBondContact O-N 3.49Å
594	E	90.6	Very high	89.4	Confident	64 Å²	64	39 Å²	39	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-63.1	-47.5	-174.1	-47.3	-54	156	0	0	111.9	G592 C596 Y597 V598 P666 L670	G592-E594 VanDerWaalsContact C-N 3.26Å; G592-E594 PolarHBondContact O-N 3.46Å; E594-C596 VanDerWaalsContact C-N 3.27Å; E594-C596 PolarHBondContact O-N 3.14Å; E594-Y597 PolarHBondContact O-N 2.81Å; E594-V598 WeakPolarHBondContact O-CG2 3.47Å; E594-V598 PolarHBondContact O-N 2.99Å; E594-V598 VanDerWaalsContact O-N 3.09Å; E594-P666 HydrophobicContact CG-CB 4.44Å; E594-L670 HydrophobicContact CB-CD1 4Å; E594-L670 HydrophobicContact CB-CD2 3.97Å; E594-L670 HydrophobicContact CB-CG 4.14Å; E594-L670 HydrophobicContact CG-CD1 4.37Å
595	L	91.9	Very high	90	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-30.5	175.5	-68.1	177.2	0	0	0	112.1	G592 R593 V598 M599 T642 K643 Q669 L670 C673	G592-L595 PolarHBondContact O-N 3.31Å; R593-L595 PolarHBondContact O-N 3.45Å; L595-V598 PolarHBondContact O-N 3.3Å; L595-M599 WeakPolarHBondContact O-CB 3.1Å; L595-M599 PolarHBondContact O-N 2.76Å; L595-T642 HydrophobicContact CD1-CG2 4Å; L595-T642 HydrophobicContact CD2-CG2 4.17Å; L595-K643 HydrophobicContact CD1-CB 4.11Å; L595-Q669 HydrophobicContact CD1-CB 4.19Å; L595-Q669 HydrophobicContact CD2-CB 4.46Å; L595-Q669 HydrophobicContact CG-CB 4.47Å; L595-L670 HydrophobicContact CD2-CD2 4.37Å; L595-C673 HydrophobicContact CD2-CB 3.97Å
596	C	93	Very high	90.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-37.8	175.7	-61	0	0	0	0	111.2	F579 G592 R593 E594 M599 L600 F806	F579-C596 HydrophobicContact CE1-CB 4.19Å; G592-C596 PolarHBondContact O-N 2.03Å; G592-C596 PolarHBondContact O-SG 3.36Å; R593-C596 WeakPolarHBondContact O-CA 3.5Å; R593-C596 WeakPolarHBondContact O-CB 3.45Å; R593-C596 PolarHBondContact O-N 2.9Å; R593-C596 VanDerWaalsContact O-N 3.08Å; E594-C596 VanDerWaalsContact C-N 3.27Å; E594-C596 PolarHBondContact O-N 3.14Å; C596-M599 PolarHBondContact O-N 2.92Å; C596-L600 WeakPolarHBondContact O-CG 3.26Å; C596-L600 PolarHBondContact O-N 2.7Å; C596-F806 HydrophobicContact CB-CE1 4.19Å; C596-F806 HydrophobicContact CB-CZ 4.34Å
597	Y	94.4	Very high	91.1	Very high	50 Å²	50	30.5 Å²	30.5	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-42.1	173	-65.2	-50.1	0	0	0	112.3	L576 F579 V580 N583 R593 E594 M599 L600 A601	L576-Y597 HydrophobicContact CD1-CD1 3.83Å; L576-Y597 HydrophobicContact CD1-CE1 4.09Å; F579-Y597 HydrophobicContact CB-CE1 4.2Å; F579-Y597 PolarHBondContact O-OH 3.13Å; V580-Y597 HydrophobicContact CG2-CE1 4.06Å; N583-Y597 PolarHBondContact ND2-OH 3.38Å; N583-Y597 PolarHBondContact OD1-OH 3.24Å; R593-Y597 HydrophobicContact CB-CE2 4.08Å; R593-Y597 HydrophobicContact CG-CE2 4.45Å; R593-Y597 WeakPolarHBondContact O-CD2 3.36Å; R593-Y597 PolarHBondContact O-N 3.49Å; E594-Y597 PolarHBondContact O-N 2.81Å; Y597-M599 VanDerWaalsContact C-N 3.3Å; Y597-M599 PolarHBondContact O-N 3.41Å; Y597-L600 PolarHBondContact O-N 2.96Å; Y597-A601 WeakPolarHBondContact O-CB 3.35Å; Y597-A601 PolarHBondContact O-N 3.49Å
598	V	95.4	Very high	91.7	Very high	36 Å²	36	30.9 Å²	30.9	22%	0.218	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-44.8	173.4	176.6	0	0	0	0	110.6	E594 L595 A601 G602 T635 A639 L670 I677	E594-V598 WeakPolarHBondContact O-CG2 3.47Å; E594-V598 PolarHBondContact O-N 2.99Å; E594-V598 VanDerWaalsContact O-N 3.09Å; L595-V598 PolarHBondContact O-N 3.3Å; V598-A601 WeakPolarHBondContact O-CB 3.33Å; V598-A601 PolarHBondContact O-N 3.19Å; V598-G602 PolarHBondContact O-N 3.32Å; V598-T635 HydrophobicContact CG1-CG2 3.71Å; V598-T635 WeakPolarHBondContact O-CG2 3.17Å; V598-A639 HydrophobicContact CG1-CB 4.34Å; V598-L670 HydrophobicContact CG2-CD2 3.89Å; V598-I677 HydrophobicContact CG1-CD1 4.26Å
599	M	94.7	Very high	92.1	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-41.6	178	-170.4	164.1	66	0	0	112.6	L595 C596 Y597 A601 G602 I603 I636 A639 I640 F805 F806	L595-M599 WeakPolarHBondContact O-CB 3.1Å; L595-M599 PolarHBondContact O-N 2.76Å; C596-M599 PolarHBondContact O-N 2.92Å; Y597-M599 VanDerWaalsContact C-N 3.3Å; Y597-M599 PolarHBondContact O-N 3.41Å; M599-A601 VanDerWaalsContact C-N 3.33Å; M599-A601 PolarHBondContact O-N 3.2Å; M599-G602 PolarHBondContact O-N 3.11Å; M599-I603 HydrophobicContact CG-CD1 4.27Å; M599-I603 VanDerWaalsContact O-CG1 3.3Å; M599-I603 WeakPolarHBondContact O-CG1 3.31Å; M599-I603 PolarHBondContact O-N 3.22Å; M599-I636 HydrophobicContact CG-CG2 4.11Å; M599-I636 HydrophobicContact SD-CG2 4.47Å; M599-A639 HydrophobicContact CB-CB 3.91Å; M599-I640 HydrophobicContact SD-CD1 4.01Å; M599-I640 HydrophobicContact SD-CG1 3.49Å; M599-I640 WeakPolarHBondContact SD-CG1 3.44Å; M599-F805 HydrophobicContact CE-CD1 3.24Å; M599-F805 HydrophobicContact CE-CD2 4.27Å; M599-F805 HydrophobicContact CE-CE1 3.15Å; M599-F805 HydrophobicContact CE-CE2 4.18Å; M599-F805 HydrophobicContact CE-CG 3.79Å; M599-F805 HydrophobicContact CE-CZ 3.61Å; M599-F806 HydrophobicContact CB-CZ 4.47Å; M599-F806 HydrophobicContact CE-CD2 4.17Å; M599-F806 HydrophobicContact CE-CE1 4.35Å; M599-F806 HydrophobicContact CE-CE2 3.22Å; M599-F806 HydrophobicContact CE-CZ 3.33Å; M599-F806 HydrophobicContact CG-CE2 4.2Å; M599-F806 HydrophobicContact SD-CE2 4.39Å
600	L	95.6	Very high	92.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-39.7	173.9	-78	167	0	0	0	111.9	V575 L576 F579 C596 Y597 G602 I603 I604 F806	V575-L600 HydrophobicContact CB-CD2 4.35Å; V575-L600 HydrophobicContact CG1-CD1 4.4Å; V575-L600 HydrophobicContact CG1-CD2 3.85Å; L576-L600 HydrophobicContact CB-CD1 4.34Å; L576-L600 HydrophobicContact CD1-CD1 3.97Å; F579-L600 HydrophobicContact CG-CD1 4.49Å; C596-L600 WeakPolarHBondContact O-CG 3.26Å; C596-L600 PolarHBondContact O-N 2.7Å; Y597-L600 PolarHBondContact O-N 2.96Å; L600-G602 VanDerWaalsContact C-N 3.33Å; L600-G602 PolarHBondContact O-N 2.87Å; L600-I603 HydrophobicContact CD2-CD1 4.49Å; L600-I603 PolarHBondContact O-N 3.28Å; L600-I604 WeakPolarHBondContact O-CG1 3.4Å; L600-I604 PolarHBondContact O-N 3.46Å; L600-F806 HydrophobicContact CD1-CE1 4.08Å; L600-F806 HydrophobicContact CD1-CZ 4.19Å; L600-F806 HydrophobicContact CD2-CD2 4.31Å; L600-F806 HydrophobicContact CD2-CE1 4.18Å; L600-F806 HydrophobicContact CD2-CE2 3.95Å; L600-F806 HydrophobicContact CD2-CZ 3.89Å; L600-F806 HydrophobicContact CG-CE1 3.96Å; L600-F806 HydrophobicContact CG-CE2 4.09Å; L600-F806 HydrophobicContact CG-CZ 3.58Å
601	A	95.9	Very high	93.4	Very high	57 Å²	57	24.8 Å²	24.8	47%	0.471	14%	0.138	S	C	.	.	H	α-helix	trans	-62	-41.6	173.8	0	0	0	0	0	111.4	Y597 V598 M599 A605	Y597-A601 WeakPolarHBondContact O-CB 3.35Å; Y597-A601 PolarHBondContact O-N 3.49Å; V598-A601 WeakPolarHBondContact O-CB 3.33Å; V598-A601 PolarHBondContact O-N 3.19Å; M599-A601 VanDerWaalsContact C-N 3.33Å; M599-A601 PolarHBondContact O-N 3.2Å; A601-A605 VanDerWaalsContact O-CB 3.26Å; A601-A605 WeakPolarHBondContact O-CB 3.27Å; A601-A605 PolarHBondContact O-N 2.84Å
602	G	95.8	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-44.3	172.2	0	0	0	0	0	113	V598 M599 L600 A605 C606	V598-G602 PolarHBondContact O-N 3.32Å; M599-G602 PolarHBondContact O-N 3.11Å; L600-G602 VanDerWaalsContact C-N 3.33Å; L600-G602 PolarHBondContact O-N 2.87Å; G602-A605 WeakPolarHBondContact O-CB 3.32Å; G602-A605 PolarHBondContact O-N 3.46Å; G602-C606 PolarHBondContact O-N 3.36Å; G602-C606 PolarHBondContact O-SG 2.95Å; G602-C606 VanDerWaalsContact O-SG 3.37Å
603	I	96.8	Very high	94.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-49.4	177.7	-69.1	166.4	0	0	0	111.1	S572 M599 L600 A605 C606 Y607 I636 A801 F806	S572-I603 WeakPolarHBondContact OG-CG2 3.19Å; M599-I603 HydrophobicContact CG-CD1 4.27Å; M599-I603 VanDerWaalsContact O-CG1 3.3Å; M599-I603 WeakPolarHBondContact O-CG1 3.31Å; M599-I603 PolarHBondContact O-N 3.22Å; L600-I603 HydrophobicContact CD2-CD1 4.49Å; L600-I603 PolarHBondContact O-N 3.28Å; I603-A605 VanDerWaalsContact C-N 3.3Å; I603-A605 PolarHBondContact O-N 3.25Å; I603-C606 WeakPolarHBondContact O-CB 3.19Å; I603-C606 PolarHBondContact O-N 3.18Å; I603-Y607 HydrophobicContact CG2-CD2 3.92Å; I603-Y607 HydrophobicContact CG2-CE2 3.47Å; I603-Y607 VanDerWaalsContact CG2-CE2 3.47Å; I603-Y607 WeakPolarHBondContact O-CD2 3.26Å; I603-Y607 PolarHBondContact O-N 3.37Å; I603-Y607 VanDerWaalsContact O-N 3.12Å; I603-I636 HydrophobicContact CG1-CD1 3.84Å; I603-I636 HydrophobicContact CG1-CG1 4.14Å; I603-A801 HydrophobicContact CD1-CB 3.79Å; I603-A801 HydrophobicContact CG1-CB 4.06Å; I603-F806 HydrophobicContact CD1-CD2 3.96Å; I603-F806 HydrophobicContact CD1-CE2 3.61Å
604	I	97.3	Very high	94.6	Very high	34 Å²	34	21.6 Å²	21.6	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-43.8	176.8	-67.4	166.9	0	0	0	109.9	L573 L576 L600 C606 Y607 C608	L573-I604 HydrophobicContact CD2-CD1 4.02Å; L576-I604 HydrophobicContact CD2-CD1 4.26Å; L600-I604 WeakPolarHBondContact O-CG1 3.4Å; L600-I604 PolarHBondContact O-N 3.46Å; I604-C606 PolarHBondContact O-N 3.17Å; I604-Y607 PolarHBondContact O-N 2.95Å; I604-C608 WeakPolarHBondContact O-CB 3.42Å; I604-C608 PolarHBondContact O-N 2.81Å; I604-C608 PolarHBondContact O-SG 3.03Å
605	A	95.8	Very high	94.6	Very high	36 Å²	36	21.9 Å²	21.9	30%	0.298	13%	0.129	S	C	.	.	H	α-helix	trans	-59.8	-43.3	176.6	0	0	0	0	0	112	A601 G602 I603 Y607 C608 M609	A601-A605 VanDerWaalsContact O-CB 3.26Å; A601-A605 WeakPolarHBondContact O-CB 3.27Å; A601-A605 PolarHBondContact O-N 2.84Å; G602-A605 WeakPolarHBondContact O-CB 3.32Å; G602-A605 PolarHBondContact O-N 3.46Å; I603-A605 VanDerWaalsContact C-N 3.3Å; I603-A605 PolarHBondContact O-N 3.25Å; A605-Y607 PolarHBondContact O-N 3.4Å; A605-C608 PolarHBondContact O-N 3.1Å; A605-M609 WeakPolarHBondContact O-CG 3.34Å; A605-M609 PolarHBondContact O-N 2.6Å
606	C	95.5	Very high	94.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-46	176.3	-74.8	0	0	0	0	111.9	G602 I603 I604 M609 S632 I636 V794	G602-C606 PolarHBondContact O-N 3.36Å; G602-C606 PolarHBondContact O-SG 2.95Å; G602-C606 VanDerWaalsContact O-SG 3.37Å; I603-C606 WeakPolarHBondContact O-CB 3.19Å; I603-C606 PolarHBondContact O-N 3.18Å; I604-C606 PolarHBondContact O-N 3.17Å; C606-M609 WeakPolarHBondContact O-CB 3.13Å; C606-M609 PolarHBondContact O-N 2.71Å; C606-S632 VanDerWaalsContact SG-C 3.6Å; C606-I636 HydrophobicContact CB-CD1 4.45Å; C606-I636 VanDerWaalsContact SG-CD1 3.54Å; C606-V794 HydrophobicContact CB-CG1 3.98Å; C606-V794 WeakPolarHBondContact O-CG1 3.48Å
607	Y	97.2	Very high	94.4	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-44.7	175.8	-68.4	-59	0	0	0	111.8	F564 S565 G568 I569 S572 I603 I604 A605 M609 T610 S795 T799	F564-Y607 HydrophobicContact CE1-CE1 4.44Å; S565-Y607 VanDerWaalsContact OG-C 3.25Å; S565-Y607 WeakPolarHBondContact OG-CB 3.26Å; S565-Y607 PolarHBondContact OG-O 2.9Å; G568-Y607 VanDerWaalsContact C-CE2 3.47Å; G568-Y607 VanDerWaalsContact CA-CZ 3.44Å; G568-Y607 WeakPolarHBondContact O-CE2 3.36Å; I569-Y607 VanDerWaalsContact CG1-CB 3.45Å; I569-Y607 HydrophobicContact CG1-CD2 4.46Å; I569-Y607 HydrophobicContact CG1-CG 4.23Å; S572-Y607 WeakPolarHBondContact OG-CE2 3.39Å; I603-Y607 HydrophobicContact CG2-CD2 3.92Å; I603-Y607 HydrophobicContact CG2-CE2 3.47Å; I603-Y607 VanDerWaalsContact CG2-CE2 3.47Å; I603-Y607 WeakPolarHBondContact O-CD2 3.26Å; I603-Y607 PolarHBondContact O-N 3.37Å; I603-Y607 VanDerWaalsContact O-N 3.12Å; I604-Y607 PolarHBondContact O-N 2.95Å; A605-Y607 PolarHBondContact O-N 3.4Å; Y607-M609 PolarHBondContact O-N 3.2Å; Y607-M609 VanDerWaalsContact O-N 3.16Å; Y607-T610 VanDerWaalsContact O-CB 3.26Å; Y607-T610 WeakPolarHBondContact O-CB 3.49Å; Y607-T610 PolarHBondContact O-N 2.91Å; Y607-T610 PolarHBondContact O-OG1 3.23Å; Y607-T610 VanDerWaalsContact O-OG1 3.13Å; Y607-S795 VanDerWaalsContact CE1-O 3.3Å; Y607-S795 WeakPolarHBondContact CE1-O 3.48Å; Y607-T799 WeakPolarHBondContact OH-CA 3.32Å; Y607-T799 PolarHBondContact OH-N 3.22Å; Y607-T799 PolarHBondContact OH-OG1 3.16Å
608	C	96.1	Very high	94.3	Very high	53 Å²	53	25.7 Å²	25.7	36%	0.358	16%	0.161	S	C	.	.	H	α-helix	trans	-57.5	-29.6	177.3	-72.5	0	0	0	0	113.3	I604 A605 T610 F611 P612	I604-C608 WeakPolarHBondContact O-CB 3.42Å; I604-C608 PolarHBondContact O-N 2.81Å; I604-C608 PolarHBondContact O-SG 3.03Å; A605-C608 PolarHBondContact O-N 3.1Å; C608-T610 PolarHBondContact O-N 3.4Å; C608-T610 VanDerWaalsContact O-N 3.14Å; C608-F611 WeakPolarHBondContact O-CD2 3.4Å; C608-F611 PolarHBondContact O-N 3.33Å; C608-P612 WeakPolarHBondContact O-CD 3.41Å
609	M	94	Very high	94.2	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.064	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.6	177.1	-68.7	-46.4	-58.8	0	0	114.1	A605 C606 Y607 F611 P612 L613 I624 L625 G628 I629 V794	A605-M609 WeakPolarHBondContact O-CG 3.34Å; A605-M609 PolarHBondContact O-N 2.6Å; C606-M609 WeakPolarHBondContact O-CB 3.13Å; C606-M609 PolarHBondContact O-N 2.71Å; Y607-M609 PolarHBondContact O-N 3.2Å; Y607-M609 VanDerWaalsContact O-N 3.16Å; M609-F611 VanDerWaalsContact C-N 3.34Å; M609-F611 PolarHBondContact O-N 3.02Å; M609-P612 WeakPolarHBondContact O-CD 3.46Å; M609-L613 WeakPolarHBondContact O-CG 3.22Å; M609-L613 PolarHBondContact O-N 2.76Å; M609-I624 HydrophobicContact CE-CG2 4.03Å; M609-I624 HydrophobicContact SD-CG2 4.42Å; M609-L625 HydrophobicContact CE-CD2 3.88Å; M609-G628 VanDerWaalsContact SD-C 3.57Å; M609-G628 VanDerWaalsContact SD-CA 3.57Å; M609-I629 HydrophobicContact CE-CG1 3.75Å; M609-V794 HydrophobicContact CB-CG1 4.28Å
610	T	94.5	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-39.1	175.2	-59.8	0	0	0	0	112	P561 Y607 C608 L613 L614 C791 S795	P561-T610 HydrophobicContact CB-CG2 3.97Å; Y607-T610 VanDerWaalsContact O-CB 3.26Å; Y607-T610 WeakPolarHBondContact O-CB 3.49Å; Y607-T610 PolarHBondContact O-N 2.91Å; Y607-T610 PolarHBondContact O-OG1 3.23Å; Y607-T610 VanDerWaalsContact O-OG1 3.13Å; C608-T610 PolarHBondContact O-N 3.4Å; C608-T610 VanDerWaalsContact O-N 3.14Å; T610-L613 WeakPolarHBondContact O-CB 3.11Å; T610-L613 PolarHBondContact O-N 3.48Å; T610-L614 HydrophobicContact CG2-CD1 3.87Å; T610-L614 HydrophobicContact CG2-CG 4.33Å; T610-L614 WeakPolarHBondContact O-CG 3.3Å; T610-L614 PolarHBondContact O-N 3.35Å; T610-C791 HydrophobicContact CG2-CB 4.12Å; T610-S795 PolarHBondContact OG1-OG 3.41Å; T610-S795 VanDerWaalsContact OG1-OG 3.06Å
611	F	94.7	Very high	93.8	Very high	61 Å²	61	36.7 Å²	36.7	27%	0.268	22%	0.216	S	C	.	.	H	α-helix	trans	-71.9	-43	-175.2	-52.5	-82.2	0	0	0	113.4	W553 I569 C608 M609 L613 L614 N615	W553-F611 HydrophobicContact CH2-CD1 4.13Å; I569-F611 HydrophobicContact CD1-CE2 3.61Å; I569-F611 HydrophobicContact CD1-CZ 4.18Å; C608-F611 WeakPolarHBondContact O-CD2 3.4Å; C608-F611 PolarHBondContact O-N 3.33Å; M609-F611 VanDerWaalsContact C-N 3.34Å; M609-F611 PolarHBondContact O-N 3.02Å; F611-L613 PolarHBondContact O-N 3.19Å; F611-L614 PolarHBondContact O-N 3.43Å; F611-N615 WeakPolarHBondContact O-CB 3.49Å; F611-N615 PolarHBondContact O-N 2.86Å; F611-N615 PolarHBondContact O-ND2 2.98Å
612	P	93	Very high	93.6	Very high	20 Å²	20	34 Å²	34	13%	0.13	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-30	170.3	-25.5	35.2	0	0	0	113.9	C608 M609 I624 L625	C608-P612 WeakPolarHBondContact O-CD 3.41Å; M609-P612 WeakPolarHBondContact O-CD 3.46Å; P612-I624 HydrophobicContact CB-CG2 4Å; P612-I624 HydrophobicContact CG-CG2 3.79Å; P612-L625 HydrophobicContact CB-CD2 3.79Å; P612-L625 HydrophobicContact CB-CG 4.23Å
613	L	91.2	Very high	93.4	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-38.1	177.1	-80.1	168.6	0	0	0	112.3	M609 T610 F611 L625 I629 F716 L790 C791	M609-L613 WeakPolarHBondContact O-CG 3.22Å; M609-L613 PolarHBondContact O-N 2.76Å; T610-L613 WeakPolarHBondContact O-CB 3.11Å; T610-L613 PolarHBondContact O-N 3.48Å; F611-L613 PolarHBondContact O-N 3.19Å; L613-L625 HydrophobicContact CB-CD2 4.29Å; L613-L625 HydrophobicContact CD2-CD1 4.06Å; L613-L625 HydrophobicContact CD2-CD2 3.55Å; L613-L625 HydrophobicContact CD2-CG 4.42Å; L613-L625 HydrophobicContact CG-CD2 3.49Å; L613-L625 VanDerWaalsContact CG-CD2 3.49Å; L613-I629 HydrophobicContact CD1-CD1 4.38Å; L613-I629 HydrophobicContact CD2-CD1 4.08Å; L613-I629 HydrophobicContact CG-CD1 4.49Å; L613-F716 HydrophobicContact CD2-CZ 4.11Å; L613-L790 HydrophobicContact CD1-CD2 4.3Å; L613-L790 HydrophobicContact CD1-CG 4.09Å; L613-L790 HydrophobicContact CD2-CD2 3.74Å; L613-L790 HydrophobicContact CD2-CG 4.42Å; L613-C791 WeakPolarHBondContact CB-SG 3.34Å; L613-C791 HydrophobicContact CD1-CB 4.43Å; L613-C791 VanDerWaalsContact CD1-SG 3.58Å
614	L	92.8	Very high	93.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-84.7	-23.7	179.9	-66.6	179.1	0	0	0	113.6	I551 W553 A558 P561 A562 T610 F611	I551-L614 HydrophobicContact CG2-CD2 4.42Å; W553-L614 HydrophobicContact CH2-CB 4.06Å; W553-L614 HydrophobicContact CH2-CD1 4.46Å; W553-L614 HydrophobicContact CZ2-CB 4.24Å; W553-L614 HydrophobicContact CZ3-CD1 4.33Å; A558-L614 HydrophobicContact CB-CD1 4.37Å; A558-L614 HydrophobicContact CB-CD2 4.37Å; A558-L614 WeakPolarHBondContact O-CD1 3.43Å; P561-L614 HydrophobicContact CB-CD1 4.38Å; A562-L614 HydrophobicContact CB-CD1 3.93Å; T610-L614 HydrophobicContact CG2-CD1 3.87Å; T610-L614 HydrophobicContact CG2-CG 4.33Å; T610-L614 WeakPolarHBondContact O-CG 3.3Å; T610-L614 PolarHBondContact O-N 3.35Å; F611-L614 PolarHBondContact O-N 3.43Å
615	N	90.9	Very high	92.8	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	21%	0.213	S	C	.	.	S	Bend	trans	-65.5	149.6	178.8	-95.5	-36.1	0	0	0	112	W553 F611	W553-N615 WeakPolarHBondContact CZ2-OD1 3.29Å; F611-N615 WeakPolarHBondContact O-CB 3.49Å; F611-N615 PolarHBondContact O-N 2.86Å; F611-N615 PolarHBondContact O-ND2 2.98Å
616	P	90.4	Very high	92.4	Very high	53 Å²	53	36 Å²	36	34%	0.344	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-49.3	128.4	170.7	-26.2	34	0	0	0	110.9	Y550 S618 S621	Y550-P616 HydrophobicContact CD2-CB 4.34Å; Y550-P616 HydrophobicContact CD2-CG 3.96Å; Y550-P616 HydrophobicContact CE2-CG 3.88Å; P616-S618 PolarHBondContact O-N 3.49Å; P616-S621 PolarHBondContact O-OG 3.45Å
617	P	91.1	Very high	92	Very high	32 Å²	32	39.2 Å²	39.2	21%	0.208	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-57.7	125.3	-179.1	-26.8	34.8	0	0	0	111.4	V695 V707	P617-V695 HydrophobicContact CB-CG1 4.18Å; P617-V695 HydrophobicContact CB-CG2 4.43Å; P617-V707 HydrophobicContact CB-CG2 4.19Å; P617-V707 HydrophobicContact CG-CG1 4.29Å; P617-V707 HydrophobicContact CG-CG2 4.32Å
618	S	92.3	Very high	91.7	Very high	51 Å²	51	39.8 Å²	39.8	36%	0.357	22%	0.224	S	C	.	.			trans	-132.8	161.6	178	68.7	0	0	0	0	108	P616 V620 S621 C622 V695	P616-S618 PolarHBondContact O-N 3.49Å; S618-V620 PolarHBondContact O-N 2.95Å; S618-V620 VanDerWaalsContact O-N 3.14Å; S618-S621 PolarHBondContact N-OG 2.96Å; S618-S621 PolarHBondContact O-N 3.45Å; S618-S621 PolarHBondContact O-OG 3.36Å; S618-S621 WeakPolarHBondContact OG-CB 3.42Å; S618-S621 PolarHBondContact OG-N 3.19Å; S618-S621 PolarHBondContact OG-OG 3.42Å; S618-C622 WeakPolarHBondContact O-CB 3.16Å; S618-C622 PolarHBondContact O-N 3.14Å; S618-C622 PolarHBondContact O-SG 3.37Å; S618-V695 VanDerWaalsContact C-CG2 3.42Å
619	K	91.7	Very high	91.4	Very high	157 Å²	157	37.4 Å²	37.4	68%	0.683	21%	0.207	S	C	*	.	H	α-helix	trans	-53.8	-36.9	175.8	-66	-179.6	179.6	178	0	111.6	G623	K619-G623 PolarHBondContact O-N 2.68Å; K619-G623 VanDerWaalsContact O-N 3.15Å
620	V	91.8	Very high	91.2	Very high	105 Å²	105	36.8 Å²	36.8	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-71.9	-52.1	178.9	-178.4	0	0	0	0	111.3	S618 C622 G623 I624	S618-V620 PolarHBondContact O-N 2.95Å; S618-V620 VanDerWaalsContact O-N 3.14Å; V620-C622 VanDerWaalsContact C-N 3.34Å; V620-C622 PolarHBondContact O-N 3.04Å; V620-G623 PolarHBondContact O-N 3.28Å; V620-G623 VanDerWaalsContact O-N 3.14Å; V620-I624 HydrophobicContact CG1-CD1 3.97Å; V620-I624 WeakPolarHBondContact O-CG1 3.42Å; V620-I624 PolarHBondContact O-N 3.34Å
621	S	91.7	Very high	91.2	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-41.3	-179.7	57.1	0	0	0	0	111.4	P616 S618 G623 I624 L625	P616-S621 PolarHBondContact O-OG 3.45Å; S618-S621 PolarHBondContact N-OG 2.96Å; S618-S621 PolarHBondContact O-N 3.45Å; S618-S621 PolarHBondContact O-OG 3.36Å; S618-S621 WeakPolarHBondContact OG-CB 3.42Å; S618-S621 PolarHBondContact OG-N 3.19Å; S618-S621 PolarHBondContact OG-OG 3.42Å; S621-G623 VanDerWaalsContact C-N 3.33Å; S621-G623 PolarHBondContact O-N 2.92Å; S621-I624 PolarHBondContact O-N 2.85Å; S621-L625 VanDerWaalsContact O-CG 3.24Å; S621-L625 WeakPolarHBondContact O-CG 2.95Å; S621-L625 PolarHBondContact O-N 3.44Å
622	C	91.5	Very high	91.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-40.7	174.2	-65.2	0	0	0	0	112.7	S618 V620 L625 R626 P693 C709	S618-C622 WeakPolarHBondContact O-CB 3.16Å; S618-C622 PolarHBondContact O-N 3.14Å; S618-C622 PolarHBondContact O-SG 3.37Å; V620-C622 VanDerWaalsContact C-N 3.34Å; V620-C622 PolarHBondContact O-N 3.04Å; C622-L625 PolarHBondContact O-N 3.49Å; C622-R626 VanDerWaalsContact O-CG 3.23Å; C622-R626 WeakPolarHBondContact O-CG 3.41Å; C622-R626 PolarHBondContact O-N 3.04Å; C622-R626 VanDerWaalsContact O-N 3.08Å; C622-P693 HydrophobicContact CB-CB 4.14Å; C622-C709 WeakPolarHBondContact CA-SG 3.16Å; C622-C709 HydrophobicContact CB-CB 3.77Å; C622-C709 WeakPolarHBondContact CB-SG 3.49Å; C622-C709 WeakPolarHBondContact SG-CA 3.37Å; C622-C709 WeakPolarHBondContact SG-CB 3.24Å; C622-C709 CovalentContact SG-SG 2.03Å; C622-C709 PolarHBondContact SG-SG 3.42Å
623	G	90.4	Very high	91.1	Very high	13 Å²	13	34.7 Å²	34.7	13%	0.134	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-45.8	173.4	0	0	0	0	0	112.7	K619 V620 S621 L625 R626 I627	K619-G623 PolarHBondContact O-N 2.68Å; K619-G623 VanDerWaalsContact O-N 3.15Å; V620-G623 PolarHBondContact O-N 3.28Å; V620-G623 VanDerWaalsContact O-N 3.14Å; S621-G623 VanDerWaalsContact C-N 3.33Å; S621-G623 PolarHBondContact O-N 2.92Å; G623-L625 VanDerWaalsContact C-N 3.32Å; G623-L625 PolarHBondContact O-N 2.79Å; G623-R626 PolarHBondContact O-N 2.86Å; G623-I627 PolarHBondContact O-N 2.73Å
624	I	91.6	Very high	91.3	Very high	78 Å²	78	34 Å²	34	40%	0.4	19%	0.193	S	C	.	.	H	α-helix	trans	-59.6	-43.1	176.1	-67.4	167.8	0	0	0	110.6	M609 P612 V620 S621 I627 G628	M609-I624 HydrophobicContact CE-CG2 4.03Å; M609-I624 HydrophobicContact SD-CG2 4.42Å; P612-I624 HydrophobicContact CB-CG2 4Å; P612-I624 HydrophobicContact CG-CG2 3.79Å; V620-I624 HydrophobicContact CG1-CD1 3.97Å; V620-I624 WeakPolarHBondContact O-CG1 3.42Å; V620-I624 PolarHBondContact O-N 3.34Å; S621-I624 PolarHBondContact O-N 2.85Å; I624-I627 PolarHBondContact O-N 2.89Å; I624-G628 WeakPolarHBondContact O-CA 3.45Å; I624-G628 PolarHBondContact O-N 3.42Å
625	L	90.1	Very high	91.5	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-38.8	179.7	-68.5	177.9	0	0	0	113	M609 P612 L613 S621 C622 G623 I627 I629 F716	M609-L625 HydrophobicContact CE-CD2 3.88Å; P612-L625 HydrophobicContact CB-CD2 3.79Å; P612-L625 HydrophobicContact CB-CG 4.23Å; L613-L625 HydrophobicContact CB-CD2 4.29Å; L613-L625 HydrophobicContact CD2-CD1 4.06Å; L613-L625 HydrophobicContact CD2-CD2 3.55Å; L613-L625 HydrophobicContact CD2-CG 4.42Å; L613-L625 HydrophobicContact CG-CD2 3.49Å; L613-L625 VanDerWaalsContact CG-CD2 3.49Å; S621-L625 VanDerWaalsContact O-CG 3.24Å; S621-L625 WeakPolarHBondContact O-CG 2.95Å; S621-L625 PolarHBondContact O-N 3.44Å; C622-L625 PolarHBondContact O-N 3.49Å; G623-L625 VanDerWaalsContact C-N 3.32Å; G623-L625 PolarHBondContact O-N 2.79Å; L625-I627 VanDerWaalsContact C-N 3.3Å; L625-I627 PolarHBondContact O-N 2.92Å; L625-I629 HydrophobicContact CD2-CD1 4.24Å; L625-I629 HydrophobicContact CD2-CG1 4.45Å; L625-F716 HydrophobicContact CB-CE1 4.36Å
626	R	87.9	Confident	91.7	Very high	10 Å²	10	31.6 Å²	31.6	4%	0.038	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-41.4	178.2	-66.1	-138	169.5	-176.2	-20.9	112.2	C622 G623 I688 E691 K710 M715	C622-R626 VanDerWaalsContact O-CG 3.23Å; C622-R626 WeakPolarHBondContact O-CG 3.41Å; C622-R626 PolarHBondContact O-N 3.04Å; C622-R626 VanDerWaalsContact O-N 3.08Å; G623-R626 PolarHBondContact O-N 2.86Å; R626-I688 HydrophobicContact CB-CD1 4.15Å; R626-I688 HydrophobicContact CB-CG1 4.14Å; R626-E691 IonicContact CZ-OE2 2.62Å; R626-E691 PolarHBondContact NH1-O 3.41Å; R626-E691 IonicContact NH1-OE2 2.79Å; R626-E691 PolarHBondContact NH1-OE2 3.23Å; R626-E691 VanDerWaalsContact NH2-CD 3.3Å; R626-E691 IonicContact NH2-OE1 3.32Å; R626-E691 IonicContact NH2-OE2 3.68Å; R626-E691 PolarHBondContact NH2-OE2 3.49Å; R626-K710 PolarHBondContact NH2-O 2.79Å; R626-M715 VanDerWaalsContact CD-SD 3.56Å; R626-M715 HydrophobicContact CG-CE 3.99Å; R626-M715 HydrophobicContact CG-SD 3.53Å; R626-M715 VanDerWaalsContact CG-SD 3.53Å; R626-M715 PolarHBondContact NE-SD 3.25Å
627	I	88.2	Confident	91.9	Very high	68 Å²	68	29.1 Å²	29.1	35%	0.349	17%	0.165	S	C	.	.	H	α-helix	trans	-88.1	-51.6	-177.7	-61.5	161.5	0	0	0	111.1	G623 I624 L625 I629 G630 V631 A684 I688	G623-I627 PolarHBondContact O-N 2.73Å; I624-I627 PolarHBondContact O-N 2.89Å; L625-I627 VanDerWaalsContact C-N 3.3Å; L625-I627 PolarHBondContact O-N 2.92Å; I627-I629 PolarHBondContact O-N 3.47Å; I627-G630 PolarHBondContact O-N 3.19Å; I627-V631 HydrophobicContact CG2-CB 4.49Å; I627-V631 HydrophobicContact CG2-CG2 3.86Å; I627-V631 WeakPolarHBondContact O-CB 3.05Å; I627-V631 VanDerWaalsContact O-CG2 3.31Å; I627-V631 WeakPolarHBondContact O-CG2 3.21Å; I627-V631 PolarHBondContact O-N 3.2Å; I627-V631 VanDerWaalsContact O-N 3.09Å; I627-A684 HydrophobicContact CG1-CB 4.25Å; I627-I688 HydrophobicContact CD1-CD1 3.34Å; I627-I688 HydrophobicContact CG1-CD1 3.38Å
628	G	90.2	Very high	92.1	Very high	14 Å²	14	27.6 Å²	27.6	14%	0.144	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-36.9	-159.2	0	0	0	0	0	114.4	M609 I624 S632	M609-G628 VanDerWaalsContact SD-C 3.57Å; M609-G628 VanDerWaalsContact SD-CA 3.57Å; I624-G628 WeakPolarHBondContact O-CA 3.45Å; I624-G628 PolarHBondContact O-N 3.42Å; G628-S632 WeakPolarHBondContact O-CB 3.4Å; G628-S632 PolarHBondContact O-N 3.42Å; G628-S632 PolarHBondContact O-OG 2.93Å
629	I	89.7	Confident	92.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-48.7	-178.9	-53.6	-179	0	0	0	109.9	M609 L613 L625 I627 S632 A633 F716 M720 L790 V794	M609-I629 HydrophobicContact CE-CG1 3.75Å; L613-I629 HydrophobicContact CD1-CD1 4.38Å; L613-I629 HydrophobicContact CD2-CD1 4.08Å; L613-I629 HydrophobicContact CG-CD1 4.49Å; L625-I629 HydrophobicContact CD2-CD1 4.24Å; L625-I629 HydrophobicContact CD2-CG1 4.45Å; I627-I629 PolarHBondContact O-N 3.47Å; I629-S632 PolarHBondContact O-OG 3.36Å; I629-S632 VanDerWaalsContact O-OG 3.07Å; I629-A633 PolarHBondContact O-N 2.84Å; I629-F716 HydrophobicContact CD1-CD1 3.64Å; I629-F716 HydrophobicContact CD1-CE1 3.49Å; I629-F716 VanDerWaalsContact CD1-CE1 3.49Å; I629-F716 HydrophobicContact CD1-CZ 4.36Å; I629-M720 HydrophobicContact CB-CE 4.02Å; I629-M720 HydrophobicContact CG2-CE 3.5Å; I629-M720 VanDerWaalsContact CG2-CE 3.5Å; I629-M720 HydrophobicContact CG2-SD 4.35Å; I629-L790 HydrophobicContact CD1-CD2 4.07Å; I629-V794 HydrophobicContact CG2-CG2 3.78Å
630	G	90.6	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-45.1	-179.3	0	0	0	0	0	112.8	I627 C634 M720 N723	I627-G630 PolarHBondContact O-N 3.19Å; G630-C634 WeakPolarHBondContact O-CB 3.43Å; G630-C634 PolarHBondContact O-N 3.4Å; G630-M720 VanDerWaalsContact CA-CE 3.4Å; G630-N723 PolarHBondContact O-ND2 3.09Å
631	V	93.3	Very high	92.5	Very high	29 Å²	29	14.1 Å²	14.1	18%	0.176	8%	0.082	C	C	.	.	H	α-helix	trans	-70.8	-38.9	-177.2	174.1	0	0	0	0	112	I627 C634 T635 I677 Q680 A681	I627-V631 HydrophobicContact CG2-CB 4.49Å; I627-V631 HydrophobicContact CG2-CG2 3.86Å; I627-V631 WeakPolarHBondContact O-CB 3.05Å; I627-V631 VanDerWaalsContact O-CG2 3.31Å; I627-V631 WeakPolarHBondContact O-CG2 3.21Å; I627-V631 PolarHBondContact O-N 3.2Å; I627-V631 VanDerWaalsContact O-N 3.09Å; V631-C634 PolarHBondContact O-N 2.81Å; V631-T635 WeakPolarHBondContact O-CB 3.25Å; V631-T635 PolarHBondContact O-N 2.83Å; V631-T635 PolarHBondContact O-OG1 3.26Å; V631-I677 HydrophobicContact CG1-CG2 4.4Å; V631-Q680 HydrophobicContact CG2-CG 4.21Å; V631-A681 HydrophobicContact CG2-CB 4.24Å
632	S	93.9	Very high	92.5	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-50.2	179.3	58.5	0	0	0	0	112	C606 G628 I629 C634 T635 I636	C606-S632 VanDerWaalsContact SG-C 3.6Å; G628-S632 WeakPolarHBondContact O-CB 3.4Å; G628-S632 PolarHBondContact O-N 3.42Å; G628-S632 PolarHBondContact O-OG 2.93Å; I629-S632 PolarHBondContact O-OG 3.36Å; I629-S632 VanDerWaalsContact O-OG 3.07Å; S632-C634 VanDerWaalsContact C-N 3.35Å; S632-C634 PolarHBondContact O-N 3.12Å; S632-T635 WeakPolarHBondContact O-CB 3.04Å; S632-T635 PolarHBondContact O-N 2.84Å; S632-I636 PolarHBondContact O-N 3.38Å
633	A	92.6	Very high	92.5	Very high	5 Å²	5	14 Å²	14	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-43.8	175	0	0	0	0	0	111.7	I629 T635 I636 Y637	I629-A633 PolarHBondContact O-N 2.84Å; A633-T635 VanDerWaalsContact C-N 3.26Å; A633-T635 PolarHBondContact O-N 3.05Å; A633-I636 PolarHBondContact O-N 3.46Å; A633-I636 VanDerWaalsContact O-N 3.15Å; A633-Y637 HydrophobicContact CB-CD2 4.43Å; A633-Y637 HydrophobicContact CB-CE2 4.07Å; A633-Y637 WeakPolarHBondContact O-CD2 3.21Å; A633-Y637 PolarHBondContact O-N 3.41Å; A633-Y637 VanDerWaalsContact O-N 3.1Å
634	C	95.1	Very high	92.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-36.8	179	-178.9	0	0	0	0	111.5	G630 V631 S632 I636 Y637 A638 Q680 N723	G630-C634 WeakPolarHBondContact O-CB 3.43Å; G630-C634 PolarHBondContact O-N 3.4Å; V631-C634 PolarHBondContact O-N 2.81Å; S632-C634 VanDerWaalsContact C-N 3.35Å; S632-C634 PolarHBondContact O-N 3.12Å; C634-I636 VanDerWaalsContact C-N 3.31Å; C634-I636 PolarHBondContact O-N 3.02Å; C634-Y637 PolarHBondContact O-N 3.15Å; C634-A638 WeakPolarHBondContact O-CB 3.33Å; C634-A638 PolarHBondContact O-N 3.45Å; C634-Q680 HydrophobicContact CB-CB 4.11Å; C634-Q680 HydrophobicContact CB-CG 4.02Å; C634-N723 WeakPolarHBondContact CA-OD1 3.19Å; C634-N723 WeakPolarHBondContact CB-OD1 3.21Å; C634-N723 PolarHBondContact N-OD1 2.65Å
635	T	95.8	Very high	92.3	Very high	20 Å²	20	10.8 Å²	10.8	12%	0.123	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-40	177.7	-57.2	0	0	0	0	111.9	V598 V631 S632 A633 A639 I677	V598-T635 HydrophobicContact CG1-CG2 3.71Å; V598-T635 WeakPolarHBondContact O-CG2 3.17Å; V631-T635 WeakPolarHBondContact O-CB 3.25Å; V631-T635 PolarHBondContact O-N 2.83Å; V631-T635 PolarHBondContact O-OG1 3.26Å; S632-T635 WeakPolarHBondContact O-CB 3.04Å; S632-T635 PolarHBondContact O-N 2.84Å; A633-T635 VanDerWaalsContact C-N 3.26Å; A633-T635 PolarHBondContact O-N 3.05Å; T635-A639 WeakPolarHBondContact O-CB 3.33Å; T635-A639 PolarHBondContact O-N 3.43Å; T635-I677 HydrophobicContact CG2-CD1 4.14Å
636	I	95.6	Very high	92.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-66.4	-55.3	175.5	-59	176.2	0	0	0	110.1	M599 I603 C606 S632 A633 C634 A638 A639 I640 A801	M599-I636 HydrophobicContact CG-CG2 4.11Å; M599-I636 HydrophobicContact SD-CG2 4.47Å; I603-I636 HydrophobicContact CG1-CD1 3.84Å; I603-I636 HydrophobicContact CG1-CG1 4.14Å; C606-I636 HydrophobicContact CB-CD1 4.45Å; C606-I636 VanDerWaalsContact SG-CD1 3.54Å; S632-I636 PolarHBondContact O-N 3.38Å; A633-I636 PolarHBondContact O-N 3.46Å; A633-I636 VanDerWaalsContact O-N 3.15Å; C634-I636 VanDerWaalsContact C-N 3.31Å; C634-I636 PolarHBondContact O-N 3.02Å; I636-A638 PolarHBondContact O-N 3.49Å; I636-A639 PolarHBondContact O-N 2.84Å; I636-I640 HydrophobicContact CG2-CD1 3.92Å; I636-I640 WeakPolarHBondContact O-CG1 3.42Å; I636-I640 PolarHBondContact O-N 3.3Å; I636-A801 HydrophobicContact CG2-CB 4.1Å
637	Y	95.2	Very high	91.9	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-71.4	-31	-172.6	-58.3	-52.4	0	0	0	113	A633 C634 A639 I640 F641 I727 T757 C797	A633-Y637 HydrophobicContact CB-CD2 4.43Å; A633-Y637 HydrophobicContact CB-CE2 4.07Å; A633-Y637 WeakPolarHBondContact O-CD2 3.21Å; A633-Y637 PolarHBondContact O-N 3.41Å; A633-Y637 VanDerWaalsContact O-N 3.1Å; C634-Y637 PolarHBondContact O-N 3.15Å; Y637-A639 VanDerWaalsContact C-N 3.34Å; Y637-I640 HydrophobicContact CD1-CD1 4.4Å; Y637-I640 PolarHBondContact O-N 2.94Å; Y637-F641 WeakPolarHBondContact O-CB 3.36Å; Y637-F641 PolarHBondContact O-N 2.94Å; Y637-I727 HydrophobicContact CD1-CG1 4.07Å; Y637-I727 HydrophobicContact CD2-CD1 4.17Å; Y637-I727 HydrophobicContact CD2-CG1 3.84Å; Y637-I727 HydrophobicContact CE1-CD1 4.44Å; Y637-I727 HydrophobicContact CE1-CG1 4.01Å; Y637-I727 HydrophobicContact CE2-CD1 3.65Å; Y637-I727 HydrophobicContact CE2-CG1 3.76Å; Y637-I727 HydrophobicContact CG-CG1 4.01Å; Y637-T757 HydrophobicContact CE1-CG2 3.62Å; Y637-T757 WeakPolarHBondContact OH-CG2 3.5Å; Y637-C797 PolarHBondContact OH-SG 3.38Å; Y637-C797 VanDerWaalsContact OH-SG 3.41Å
638	A	95.8	Very high	91.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.3	-39.1	173.8	0	0	0	0	0	111.4	C634 I636 T642 I676 I677 L726	C634-A638 WeakPolarHBondContact O-CB 3.33Å; C634-A638 PolarHBondContact O-N 3.45Å; I636-A638 PolarHBondContact O-N 3.49Å; A638-T642 VanDerWaalsContact O-CB 3.31Å; A638-T642 WeakPolarHBondContact O-CB 3.45Å; A638-T642 PolarHBondContact O-N 2.72Å; A638-T642 PolarHBondContact O-OG1 2.92Å; A638-I676 HydrophobicContact CB-CB 4.04Å; A638-I676 HydrophobicContact CB-CG2 3.74Å; A638-I677 HydrophobicContact CB-CD1 4.32Å; A638-I677 HydrophobicContact CB-CG1 3.81Å; A638-L726 HydrophobicContact CB-CD2 4.4Å
639	A	95	Very high	91.1	Very high	2 Å²	2	12.7 Å²	12.7	2%	0.017	6%	0.06	C	C	.	.	H	α-helix	trans	-67.1	-45	175.4	0	0	0	0	0	111.5	V598 M599 T635 I636 Y637 K643	V598-A639 HydrophobicContact CG1-CB 4.34Å; M599-A639 HydrophobicContact CB-CB 3.91Å; T635-A639 WeakPolarHBondContact O-CB 3.33Å; T635-A639 PolarHBondContact O-N 3.43Å; I636-A639 PolarHBondContact O-N 2.84Å; Y637-A639 VanDerWaalsContact C-N 3.34Å; A639-K643 VanDerWaalsContact O-CB 3.26Å; A639-K643 WeakPolarHBondContact O-CB 3.42Å; A639-K643 PolarHBondContact O-N 3.4Å
640	I	93.7	Very high	90.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-47.6	174.8	-64.9	172.9	0	0	0	110.4	M599 I636 Y637 K643 T644 I750 T753 M754	M599-I640 HydrophobicContact SD-CD1 4.01Å; M599-I640 HydrophobicContact SD-CG1 3.49Å; M599-I640 WeakPolarHBondContact SD-CG1 3.44Å; I636-I640 HydrophobicContact CG2-CD1 3.92Å; I636-I640 WeakPolarHBondContact O-CG1 3.42Å; I636-I640 PolarHBondContact O-N 3.3Å; Y637-I640 HydrophobicContact CD1-CD1 4.4Å; Y637-I640 PolarHBondContact O-N 2.94Å; I640-K643 WeakPolarHBondContact O-CB 3.29Å; I640-K643 PolarHBondContact O-N 2.85Å; I640-T644 HydrophobicContact CG2-CG2 4.36Å; I640-T644 WeakPolarHBondContact O-CG2 3.5Å; I640-T644 PolarHBondContact O-N 3.06Å; I640-T644 PolarHBondContact O-OG1 2.75Å; I640-I750 HydrophobicContact CG2-CG2 3.84Å; I640-T753 HydrophobicContact CD1-CG2 3.99Å; I640-M754 HydrophobicContact CD1-SD 4.31Å; I640-M754 HydrophobicContact CG2-CG 4.45Å; I640-M754 HydrophobicContact CG2-SD 3.8Å
641	F	94.5	Very high	89.7	Confident	27 Å²	27	19.3 Å²	19.3	12%	0.118	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-53.3	179.4	-174.1	-113.3	0	0	0	111.3	Y637 K643 T644 L645 I676 L726 L729 C730 Y733	Y637-F641 WeakPolarHBondContact O-CB 3.36Å; Y637-F641 PolarHBondContact O-N 2.94Å; F641-K643 PolarHBondContact O-N 3.47Å; F641-T644 WeakPolarHBondContact CA-OG1 3.22Å; F641-T644 PolarHBondContact O-N 3.15Å; F641-T644 VanDerWaalsContact O-N 3.09Å; F641-T644 PolarHBondContact O-OG1 2.83Å; F641-L645 WeakPolarHBondContact O-CB 3.33Å; F641-L645 PolarHBondContact O-N 3.13Å; F641-I676 HydrophobicContact CD1-CD1 3.67Å; F641-I676 HydrophobicContact CE1-CD1 4.21Å; F641-L726 HydrophobicContact CB-CD1 4.1Å; F641-L726 HydrophobicContact CD1-CD1 4.41Å; F641-L726 HydrophobicContact CG-CD1 4.09Å; F641-L729 HydrophobicContact CD2-CB 4.44Å; F641-L729 HydrophobicContact CE2-CB 4.05Å; F641-C730 WeakPolarHBondContact CB-SG 3.47Å; F641-Y733 AromaticContact CE2-CD2 3.79Å; F641-Y733 HydrophobicContact CE2-CD2 3.79Å; F641-Y733 HydrophobicContact CE2-CE2 4.04Å; F641-Y733 HydrophobicContact CE2-CG 4.31Å; F641-Y733 HydrophobicContact CZ-CE2 4.35Å
642	T	93	Very high	88.6	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-38	179.8	-56.6	0	0	0	0	111.1	L595 A638 L645 R646 Q669 I672	L595-T642 HydrophobicContact CD1-CG2 4Å; L595-T642 HydrophobicContact CD2-CG2 4.17Å; A638-T642 VanDerWaalsContact O-CB 3.31Å; A638-T642 WeakPolarHBondContact O-CB 3.45Å; A638-T642 PolarHBondContact O-N 2.72Å; A638-T642 PolarHBondContact O-OG1 2.92Å; T642-L645 PolarHBondContact O-N 2.97Å; T642-R646 PolarHBondContact O-N 2.88Å; T642-Q669 HydrophobicContact CG2-CB 3.81Å; T642-Q669 HydrophobicContact CG2-CG 4.2Å; T642-Q669 WeakPolarHBondContact CG2-O 3.4Å; T642-I672 HydrophobicContact CG2-CB 4.33Å; T642-I672 HydrophobicContact CG2-CG2 4.28Å
643	K	90.3	Very high	87	Confident	6 Å²	6	23.7 Å²	23.7	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-69.7	-42.6	176.7	-170.7	166.4	177.7	154.7	0	113	S591 L595 A639 I640 F641 L645 R646 L647 E746 I750 F805	S591-K643 WeakPolarHBondContact O-CE 3.26Å; S591-K643 PolarHBondContact O-NZ 3.02Å; L595-K643 HydrophobicContact CD1-CB 4.11Å; A639-K643 VanDerWaalsContact O-CB 3.26Å; A639-K643 WeakPolarHBondContact O-CB 3.42Å; A639-K643 PolarHBondContact O-N 3.4Å; I640-K643 WeakPolarHBondContact O-CB 3.29Å; I640-K643 PolarHBondContact O-N 2.85Å; F641-K643 PolarHBondContact O-N 3.47Å; K643-L645 VanDerWaalsContact C-N 3.3Å; K643-L645 PolarHBondContact O-N 3.39Å; K643-R646 WeakPolarHBondContact O-CB 3.45Å; K643-R646 PolarHBondContact O-N 3.27Å; K643-L647 WeakPolarHBondContact O-CG 3.41Å; K643-L647 PolarHBondContact O-N 3.31Å; K643-E746 WeakPolarHBondContact CE-OE1 3.43Å; K643-E746 IonicContact NZ-OE1 3.69Å; K643-E746 PolarHBondContact NZ-OE1 3.2Å; K643-I750 HydrophobicContact CG-CD1 4.39Å; K643-F805 HydrophobicContact CD-CE2 4.4Å; K643-F805 HydrophobicContact CD-CZ 3.95Å; K643-F805 VanDerWaalsContact NZ-CZ 3.33Å
644	T	90	Very high	85.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-37.4	172.6	55.8	0	0	0	0	112.1	I640 F641 L647 A648 I750	I640-T644 HydrophobicContact CG2-CG2 4.36Å; I640-T644 WeakPolarHBondContact O-CG2 3.5Å; I640-T644 PolarHBondContact O-N 3.06Å; I640-T644 PolarHBondContact O-OG1 2.75Å; F641-T644 WeakPolarHBondContact CA-OG1 3.22Å; F641-T644 PolarHBondContact O-N 3.15Å; F641-T644 VanDerWaalsContact O-N 3.09Å; F641-T644 PolarHBondContact O-OG1 2.83Å; T644-L647 PolarHBondContact O-N 3.37Å; T644-A648 VanDerWaalsContact O-CB 3.31Å; T644-A648 WeakPolarHBondContact O-CB 3.41Å; T644-A648 PolarHBondContact O-N 3.28Å; T644-I750 HydrophobicContact CG2-CD1 4.1Å; T644-I750 HydrophobicContact CG2-CG2 3.45Å; T644-I750 VanDerWaalsContact CG2-CG2 3.45Å
645	L	88.9	Confident	83.3	Confident	23 Å²	23	36 Å²	36	12%	0.12	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-40.9	177.3	-175.1	62.1	0	0	0	111.1	F641 T642 K643 A648 R649 Y733	F641-L645 WeakPolarHBondContact O-CB 3.33Å; F641-L645 PolarHBondContact O-N 3.13Å; T642-L645 PolarHBondContact O-N 2.97Å; K643-L645 VanDerWaalsContact C-N 3.3Å; K643-L645 PolarHBondContact O-N 3.39Å; L645-A648 PolarHBondContact O-N 3.12Å; L645-R649 WeakPolarHBondContact O-CB 3.38Å; L645-R649 VanDerWaalsContact O-CG 3.32Å; L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 2.86Å; L645-Y733 HydrophobicContact CD1-CE1 4.15Å
646	R	85.6	Confident	81	Confident	69 Å²	69	42 Å²	42	26%	0.26	22%	0.215	S	C	.	.	H	α-helix	trans	-57	-50.5	171.4	-179.2	-159.8	178.8	-172.4	-11.2	110.9	T642 K643 R649 I650 L664	T642-R646 PolarHBondContact O-N 2.88Å; K643-R646 WeakPolarHBondContact O-CB 3.45Å; K643-R646 PolarHBondContact O-N 3.27Å; R646-R649 PolarHBondContact O-N 3.33Å; R646-I650 HydrophobicContact CG-CD1 3.87Å; R646-I650 VanDerWaalsContact O-CG1 3.29Å; R646-I650 WeakPolarHBondContact O-CG1 3.35Å; R646-I650 PolarHBondContact O-N 3.29Å; R646-L664 HydrophobicContact CG-CD2 4.13Å
647	L	83.4	Confident	78.9	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-46.8	179.4	-68.7	169.9	0	0	0	111.2	K643 T644 R649 I650 F651 I740 T747 I750	K643-L647 WeakPolarHBondContact O-CG 3.41Å; K643-L647 PolarHBondContact O-N 3.31Å; T644-L647 PolarHBondContact O-N 3.37Å; L647-R649 VanDerWaalsContact C-N 3.29Å; L647-R649 PolarHBondContact O-N 2.97Å; L647-I650 PolarHBondContact O-N 3.41Å; L647-F651 HydrophobicContact CD2-CE2 4.39Å; L647-F651 VanDerWaalsContact O-CD2 3.29Å; L647-F651 WeakPolarHBondContact O-CD2 3.42Å; L647-F651 PolarHBondContact O-N 2.9Å; L647-F651 VanDerWaalsContact O-N 3.11Å; L647-I740 HydrophobicContact CB-CD1 4.3Å; L647-T747 HydrophobicContact CD1-CG2 4Å; L647-I750 HydrophobicContact CD1-CD1 3.77Å
648	A	82.1	Confident	76.8	Confident	6 Å²	6	56.8 Å²	56.8	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-38.9	176.9	0	0	0	0	0	112.2	T644 L645 N652 Y733 T737	T644-A648 VanDerWaalsContact O-CB 3.31Å; T644-A648 WeakPolarHBondContact O-CB 3.41Å; T644-A648 PolarHBondContact O-N 3.28Å; L645-A648 PolarHBondContact O-N 3.12Å; A648-N652 WeakPolarHBondContact O-CB 3.36Å; A648-N652 VanDerWaalsContact O-CG 3.26Å; A648-N652 PolarHBondContact O-N 3.49Å; A648-N652 PolarHBondContact O-ND2 3.21Å; A648-Y733 HydrophobicContact CB-CD1 4.28Å; A648-T737 HydrophobicContact CB-CG2 3.84Å
649	R	78.8	Confident	74.7	Confident	58 Å²	58	65.7 Å²	65.7	22%	0.219	32%	0.322	C	S	.	.	H	α-helix	trans	-69.2	-44.1	176.6	-77	177.5	178	158.7	-0.9	112.3	L645 R646 L647 F651 N652 A653 L664	L645-R649 WeakPolarHBondContact O-CB 3.38Å; L645-R649 VanDerWaalsContact O-CG 3.32Å; L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 2.86Å; R646-R649 PolarHBondContact O-N 3.33Å; L647-R649 VanDerWaalsContact C-N 3.29Å; L647-R649 PolarHBondContact O-N 2.97Å; R649-F651 VanDerWaalsContact C-N 3.35Å; R649-F651 PolarHBondContact O-N 3.4Å; R649-N652 PolarHBondContact O-N 2.6Å; R649-A653 VanDerWaalsContact O-CB 3.22Å; R649-A653 WeakPolarHBondContact O-CB 3.15Å; R649-A653 PolarHBondContact O-N 3.06Å; R649-L664 HydrophobicContact CB-CD2 4.29Å
650	I	76.6	Confident	72.9	Confident	70 Å²	70	69 Å²	69	36%	0.359	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-46.1	179.4	-68.9	167.3	0	0	0	111	R646 L647 L664	R646-I650 HydrophobicContact CG-CD1 3.87Å; R646-I650 VanDerWaalsContact O-CG1 3.29Å; R646-I650 WeakPolarHBondContact O-CG1 3.35Å; R646-I650 PolarHBondContact O-N 3.29Å; L647-I650 PolarHBondContact O-N 3.41Å; I650-L664 HydrophobicContact CD1-CD2 4.21Å; I650-L664 HydrophobicContact CG1-CD2 3.61Å
651	F	74.9	Confident	71.3	Confident	73 Å²	73	73.2 Å²	73.2	32%	0.32	36%	0.361	S	S	.	.	H	α-helix	trans	-85.9	-18.6	-175.5	-71.2	-79.1	0	0	0	114.3	L647 R649 I740 P741 F744	L647-F651 HydrophobicContact CD2-CE2 4.39Å; L647-F651 VanDerWaalsContact O-CD2 3.29Å; L647-F651 WeakPolarHBondContact O-CD2 3.42Å; L647-F651 PolarHBondContact O-N 2.9Å; L647-F651 VanDerWaalsContact O-N 3.11Å; R649-F651 VanDerWaalsContact C-N 3.35Å; R649-F651 PolarHBondContact O-N 3.4Å; F651-I740 HydrophobicContact CB-CD1 4.2Å; F651-I740 HydrophobicContact CB-CG1 4.07Å; F651-I740 HydrophobicContact CD1-CG1 4.41Å; F651-I740 HydrophobicContact CD1-CG2 4.19Å; F651-I740 HydrophobicContact CD2-CB 4.41Å; F651-I740 HydrophobicContact CD2-CD1 3.36Å; F651-I740 HydrophobicContact CD2-CG1 3.71Å; F651-I740 HydrophobicContact CD2-CG2 3.78Å; F651-I740 HydrophobicContact CE1-CG2 3.86Å; F651-I740 HydrophobicContact CE2-CB 4.48Å; F651-I740 HydrophobicContact CE2-CD1 3.93Å; F651-I740 HydrophobicContact CE2-CG1 4.25Å; F651-I740 HydrophobicContact CE2-CG2 3.42Å; F651-I740 VanDerWaalsContact CE2-CG2 3.42Å; F651-I740 HydrophobicContact CG-CD1 3.93Å; F651-I740 HydrophobicContact CG-CG1 3.81Å; F651-I740 HydrophobicContact CG-CG2 4.16Å; F651-I740 HydrophobicContact CZ-CG2 3.46Å; F651-I740 VanDerWaalsContact CZ-CG2 3.46Å; F651-P741 HydrophobicContact CE1-CG 4.44Å; F651-F744 HydrophobicContact CZ-CD2 4.27Å
652	N	70.8	Confident	69.9	Low	79 Å²	79	80.6 Å²	80.6	42%	0.422	39%	0.388	S	S	.	.	H	α-helix	trans	-96	-3	171.5	-63.9	-51.9	0	0	0	113.2	A648 R649 E654 A655	A648-N652 WeakPolarHBondContact O-CB 3.36Å; A648-N652 VanDerWaalsContact O-CG 3.26Å; A648-N652 PolarHBondContact O-N 3.49Å; A648-N652 PolarHBondContact O-ND2 3.21Å; R649-N652 PolarHBondContact O-N 2.6Å; N652-E654 PolarHBondContact O-N 2.65Å; N652-A655 WeakPolarHBondContact O-CB 2.96Å; N652-A655 PolarHBondContact O-N 2.77Å
653	A	60.2	Low	68.6	Low	45 Å²	45	85.2 Å²	85.2	37%	0.372	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	178.1	0	0	0	0	0	112.9	R649 A655	R649-A653 VanDerWaalsContact O-CB 3.22Å; R649-A653 WeakPolarHBondContact O-CB 3.15Å; R649-A653 PolarHBondContact O-N 3.06Å; A653-A655 PolarHBondContact O-N 2.86Å
654	E	56	Low	67.8	Low	196 Å²	196	86.8 Å²	86.8	92%	0.916	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.7	169.9	-70.3	-175.9	169.6	0	0	113.1	N652	N652-E654 PolarHBondContact O-N 2.65Å
655	A	52.6	Low	67.4	Low	69 Å²	69	89.3 Å²	89.3	57%	0.57	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-20.1	-178.9	0	0	0	0	0	115.5	N652 A653	N652-A655 WeakPolarHBondContact O-CB 2.96Å; N652-A655 PolarHBondContact O-N 2.77Å; A653-A655 PolarHBondContact O-N 2.86Å
656	H	47.6	Very low	67.2	Low	145 Å²	145	91.8 Å²	91.8	67%	0.671	45%	0.452	S	S	*	.	S	Bend	trans	-154.2	130.2	-178.9	-85.4	-76.9	0	0	0	115.1
657	Q	51.4	Low	67.4	Low	161 Å²	161	94 Å²	94	75%	0.752	47%	0.468	S	S	*	.			trans	20.2	126.7	162	-76	176.4	-17.5	0	0	120.9	R659 D660	Q657-R659 PolarHBondContact O-N 3.36Å; Q657-D660 PolarHBondContact O-N 3.2Å
658	L	51.6	Low	67.6	Low	151 Å²	151	94.4 Å²	94.4	79%	0.791	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-39.5	-15.9	170.2	-80.1	145.6	0	0	0	117.6	D660 L661	L658-D660 VanDerWaalsContact C-N 3.26Å; L658-D660 PolarHBondContact O-N 3.35Å; L658-L661 HydrophobicContact CD2-CD1 3.99Å
659	R	51.2	Low	67.9	Low	187 Å²	187	94.5 Å²	94.5	71%	0.706	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-67	-26.5	-179.6	-166.5	171.1	171.2	177.6	-4	112.6	Q657 L661	Q657-R659 PolarHBondContact O-N 3.36Å; R659-L661 VanDerWaalsContact C-N 3.33Å; R659-L661 PolarHBondContact O-N 2.88Å
660	D	56.8	Low	68.6	Low	72 Å²	72	94.2 Å²	94.2	39%	0.385	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-76.1	-13.8	-176.7	-99.4	-21.5	0	0	0	114.8	Q657 L658 R662	Q657-D660 PolarHBondContact O-N 3.2Å; L658-D660 VanDerWaalsContact C-N 3.26Å; L658-D660 PolarHBondContact O-N 3.35Å; D660-R662 VanDerWaalsContact C-N 3.34Å; D660-R662 PolarHBondContact O-N 3.13Å
661	L	61.2	Low	69.4	Low	89 Å²	89	96.1 Å²	96.1	47%	0.466	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-72.6	-24	-176.2	-64.3	170.5	0	0	0	113.5	L658 R659 F663 L664	L658-L661 HydrophobicContact CD2-CD1 3.99Å; R659-L661 VanDerWaalsContact C-N 3.33Å; R659-L661 PolarHBondContact O-N 2.88Å; L661-F663 PolarHBondContact O-N 3.1Å; L661-L664 HydrophobicContact CB-CD1 4.24Å; L661-L664 HydrophobicContact CD2-CD1 3.43Å; L661-L664 VanDerWaalsContact CD2-CD1 3.43Å; L661-L664 HydrophobicContact CG-CD1 4.41Å; L661-L664 WeakPolarHBondContact O-CB 3.5Å; L661-L664 PolarHBondContact O-N 2.7Å; L661-L664 VanDerWaalsContact O-N 3.13Å
662	R	64.1	Low	70.2	Confident	182 Å²	182	94.2 Å²	94.2	69%	0.687	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-62.4	-30.6	-179.3	-78.2	-175.6	-86.5	-166.8	-11	113.1	D660 L664	D660-R662 VanDerWaalsContact C-N 3.34Å; D660-R662 PolarHBondContact O-N 3.13Å; R662-L664 VanDerWaalsContact C-N 3.26Å; R662-L664 PolarHBondContact O-N 2.92Å
663	F	67.2	Low	71.4	Confident	100 Å²	100	90.5 Å²	90.5	44%	0.439	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-84.8	6.3	179.9	-61.3	-74.1	0	0	0	113.9	L661 I672	L661-F663 PolarHBondContact O-N 3.1Å; F663-I672 HydrophobicContact CB-CD1 4.36Å; F663-I672 HydrophobicContact CD1-CD1 4.19Å
664	L	73.2	Confident	73	Confident	39 Å²	39	91.9 Å²	91.9	20%	0.204	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-86.6	-16.1	178.2	-68.5	167.7	0	0	0	113.6	R646 R649 I650 L661 R662 Q669	R646-L664 HydrophobicContact CG-CD2 4.13Å; R649-L664 HydrophobicContact CB-CD2 4.29Å; I650-L664 HydrophobicContact CD1-CD2 4.21Å; I650-L664 HydrophobicContact CG1-CD2 3.61Å; L661-L664 HydrophobicContact CB-CD1 4.24Å; L661-L664 HydrophobicContact CD2-CD1 3.43Å; L661-L664 VanDerWaalsContact CD2-CD1 3.43Å; L661-L664 HydrophobicContact CG-CD1 4.41Å; L661-L664 WeakPolarHBondContact O-CB 3.5Å; L661-L664 PolarHBondContact O-N 2.7Å; L661-L664 VanDerWaalsContact O-N 3.13Å; R662-L664 VanDerWaalsContact C-N 3.26Å; R662-L664 PolarHBondContact O-N 2.92Å; L664-Q669 PolarHBondContact O-NE2 3.16Å
665	S	82.1	Confident	74.9	Confident	54 Å²	54	88.9 Å²	88.9	38%	0.378	45%	0.448	S	S	.	.	S	Bend	trans	-59.8	142.5	177.3	172.5	0	0	0	0	111.6	I667 A668 Q669	S665-I667 PolarHBondContact O-N 2.96Å; S665-I667 PolarHBondContact OG-N 3.3Å; S665-A668 WeakPolarHBondContact O-CB 3.49Å; S665-A668 PolarHBondContact O-N 3.27Å; S665-Q669 WeakPolarHBondContact O-CG 3.42Å; S665-Q669 PolarHBondContact O-N 3.23Å
666	P	84.8	Confident	77	Confident	75 Å²	75	86.5 Å²	86.5	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-53.8	-37.2	174.5	-26.2	34.6	0	0	0	113.4	E594 Q669 L670	E594-P666 HydrophobicContact CG-CB 4.44Å; P666-Q669 PolarHBondContact O-N 2.73Å; P666-L670 WeakPolarHBondContact O-CG 3.34Å; P666-L670 PolarHBondContact O-N 3.19Å
667	I	88	Confident	79.3	Confident	115 Å²	115	81 Å²	81	59%	0.59	40%	0.4	S	S	*	.	H	α-helix	trans	-66.5	-44	177.5	-61.3	173.3	0	0	0	110.1	S665 Q669 L670 I671	S665-I667 PolarHBondContact O-N 2.96Å; S665-I667 PolarHBondContact OG-N 3.3Å; I667-Q669 VanDerWaalsContact C-N 3.29Å; I667-Q669 PolarHBondContact O-N 3.4Å; I667-L670 PolarHBondContact O-N 3.13Å; I667-I671 HydrophobicContact CG2-CD1 3.95Å; I667-I671 VanDerWaalsContact O-CG1 3.31Å; I667-I671 WeakPolarHBondContact O-CG1 3.44Å; I667-I671 PolarHBondContact O-N 2.6Å
668	A	87.7	Confident	81.4	Confident	16 Å²	16	76 Å²	76	13%	0.132	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-37.6	177.1	0	0	0	0	0	111.8	S665 I671 I672	S665-A668 WeakPolarHBondContact O-CB 3.49Å; S665-A668 PolarHBondContact O-N 3.27Å; A668-I671 PolarHBondContact O-N 3.19Å; A668-I672 VanDerWaalsContact O-CG1 3.3Å; A668-I672 WeakPolarHBondContact O-CG1 3.26Å; A668-I672 PolarHBondContact O-N 3.03Å
669	Q	89.9	Confident	83.4	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-44.3	174.5	-68.3	171.2	28.3	0	0	111.9	L595 T642 L664 S665 P666 I667 I671 I672 C673	L595-Q669 HydrophobicContact CD1-CB 4.19Å; L595-Q669 HydrophobicContact CD2-CB 4.46Å; L595-Q669 HydrophobicContact CG-CB 4.47Å; T642-Q669 HydrophobicContact CG2-CB 3.81Å; T642-Q669 HydrophobicContact CG2-CG 4.2Å; T642-Q669 WeakPolarHBondContact CG2-O 3.4Å; L664-Q669 PolarHBondContact O-NE2 3.16Å; S665-Q669 WeakPolarHBondContact O-CG 3.42Å; S665-Q669 PolarHBondContact O-N 3.23Å; P666-Q669 PolarHBondContact O-N 2.73Å; I667-Q669 VanDerWaalsContact C-N 3.29Å; I667-Q669 PolarHBondContact O-N 3.4Å; Q669-I671 VanDerWaalsContact C-N 3.32Å; Q669-I671 PolarHBondContact O-N 3.23Å; Q669-I672 PolarHBondContact O-N 3.07Å; Q669-C673 WeakPolarHBondContact O-CB 3.32Å; Q669-C673 PolarHBondContact O-N 3.45Å
670	L	93	Very high	85.5	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-39.9	174.9	-72.5	175.1	0	0	0	111.9	E594 L595 V598 P666 I667 C673 S674	E594-L670 HydrophobicContact CB-CD1 4Å; E594-L670 HydrophobicContact CB-CD2 3.97Å; E594-L670 HydrophobicContact CB-CG 4.14Å; E594-L670 HydrophobicContact CG-CD1 4.37Å; L595-L670 HydrophobicContact CD2-CD2 4.37Å; V598-L670 HydrophobicContact CG2-CD2 3.89Å; P666-L670 WeakPolarHBondContact O-CG 3.34Å; P666-L670 PolarHBondContact O-N 3.19Å; I667-L670 PolarHBondContact O-N 3.13Å; L670-C673 PolarHBondContact O-N 2.96Å; L670-S674 VanDerWaalsContact O-CB 3.25Å; L670-S674 WeakPolarHBondContact O-CB 3.45Å; L670-S674 PolarHBondContact O-N 3.1Å; L670-S674 PolarHBondContact O-OG 2.71Å; L670-S674 VanDerWaalsContact O-OG 3.09Å
671	I	93.9	Very high	87.2	Confident	109 Å²	109	61.5 Å²	61.5	56%	0.559	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-46.1	175.9	-67.8	166.2	0	0	0	110.9	I667 A668 Q669 S674 F675	I667-I671 HydrophobicContact CG2-CD1 3.95Å; I667-I671 VanDerWaalsContact O-CG1 3.31Å; I667-I671 WeakPolarHBondContact O-CG1 3.44Å; I667-I671 PolarHBondContact O-N 2.6Å; A668-I671 PolarHBondContact O-N 3.19Å; Q669-I671 VanDerWaalsContact C-N 3.32Å; Q669-I671 PolarHBondContact O-N 3.23Å; I671-S674 PolarHBondContact O-N 2.93Å; I671-F675 VanDerWaalsContact O-CB 3.29Å; I671-F675 WeakPolarHBondContact O-CB 3.45Å; I671-F675 PolarHBondContact O-N 2.83Å
672	I	91.7	Very high	88.7	Confident	34 Å²	34	62.6 Å²	62.6	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-47	177	-67.7	164.6	0	0	0	110.6	T642 F663 A668 Q669 F675 I676	T642-I672 HydrophobicContact CG2-CB 4.33Å; T642-I672 HydrophobicContact CG2-CG2 4.28Å; F663-I672 HydrophobicContact CB-CD1 4.36Å; F663-I672 HydrophobicContact CD1-CD1 4.19Å; A668-I672 VanDerWaalsContact O-CG1 3.3Å; A668-I672 WeakPolarHBondContact O-CG1 3.26Å; A668-I672 PolarHBondContact O-N 3.03Å; Q669-I672 PolarHBondContact O-N 3.07Å; I672-F675 WeakPolarHBondContact O-CB 3.15Å; I672-F675 PolarHBondContact O-N 2.93Å; I672-I676 HydrophobicContact CG2-CD1 4.14Å; I672-I676 WeakPolarHBondContact O-CG1 3.2Å; I672-I676 PolarHBondContact O-N 3.06Å; I672-I676 VanDerWaalsContact O-N 3.07Å
673	C	95	Very high	89.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-48.6	179.4	-171.1	0	0	0	0	111.3	L595 Q669 L670 F675 I676 I677	L595-C673 HydrophobicContact CD2-CB 3.97Å; Q669-C673 WeakPolarHBondContact O-CB 3.32Å; Q669-C673 PolarHBondContact O-N 3.45Å; L670-C673 PolarHBondContact O-N 2.96Å; C673-F675 VanDerWaalsContact C-N 3.31Å; C673-F675 PolarHBondContact O-N 2.91Å; C673-I676 PolarHBondContact O-N 3.09Å; C673-I677 VanDerWaalsContact O-CG1 3.29Å; C673-I677 WeakPolarHBondContact O-CG1 3.1Å; C673-I677 PolarHBondContact O-N 2.81Å
674	S	94.8	Very high	90.9	Very high	73 Å²	73	53 Å²	53	51%	0.51	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-36.2	176.9	-70.3	0	0	0	0	112.3	L670 I671 I677 S678	L670-S674 VanDerWaalsContact O-CB 3.25Å; L670-S674 WeakPolarHBondContact O-CB 3.45Å; L670-S674 PolarHBondContact O-N 3.1Å; L670-S674 PolarHBondContact O-OG 2.71Å; L670-S674 VanDerWaalsContact O-OG 3.09Å; I671-S674 PolarHBondContact O-N 2.93Å; S674-I677 PolarHBondContact O-N 3.05Å; S674-S678 VanDerWaalsContact O-CB 3.28Å; S674-S678 WeakPolarHBondContact O-CB 3.46Å; S674-S678 PolarHBondContact O-N 3.12Å; S674-S678 PolarHBondContact O-OG 3.28Å
675	F	95.8	Very high	91.7	Very high	134 Å²	134	57.1 Å²	57.1	59%	0.588	32%	0.318	S	S	*	.	H	α-helix	trans	-61.7	-48.5	174.6	176.8	-102.9	0	0	0	111.3	I671 I672 C673 I677 S678 I679	I671-F675 VanDerWaalsContact O-CB 3.29Å; I671-F675 WeakPolarHBondContact O-CB 3.45Å; I671-F675 PolarHBondContact O-N 2.83Å; I672-F675 WeakPolarHBondContact O-CB 3.15Å; I672-F675 PolarHBondContact O-N 2.93Å; C673-F675 VanDerWaalsContact C-N 3.31Å; C673-F675 PolarHBondContact O-N 2.91Å; F675-I677 VanDerWaalsContact C-N 3.35Å; F675-I677 PolarHBondContact O-N 2.85Å; F675-S678 PolarHBondContact O-N 2.9Å; F675-S678 VanDerWaalsContact O-N 3.17Å; F675-S678 PolarHBondContact O-OG 3.21Å; F675-I679 HydrophobicContact CD1-CD1 4.25Å; F675-I679 HydrophobicContact CE1-CD1 3.76Å; F675-I679 HydrophobicContact CZ-CD1 4.07Å; F675-I679 PolarHBondContact O-N 3.42Å
676	I	95.8	Very high	92	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.092	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-44.9	177	-64.2	167.2	0	0	0	111	A638 F641 I672 C673 S678 I679 F722 L726	A638-I676 HydrophobicContact CB-CB 4.04Å; A638-I676 HydrophobicContact CB-CG2 3.74Å; F641-I676 HydrophobicContact CD1-CD1 3.67Å; F641-I676 HydrophobicContact CE1-CD1 4.21Å; I672-I676 HydrophobicContact CG2-CD1 4.14Å; I672-I676 WeakPolarHBondContact O-CG1 3.2Å; I672-I676 PolarHBondContact O-N 3.06Å; I672-I676 VanDerWaalsContact O-N 3.07Å; C673-I676 PolarHBondContact O-N 3.09Å; I676-S678 VanDerWaalsContact C-N 3.31Å; I676-S678 PolarHBondContact O-N 2.89Å; I676-I679 PolarHBondContact O-N 3.12Å; I676-F722 HydrophobicContact CG2-CE1 4.18Å; I676-F722 HydrophobicContact CG2-CZ 4.09Å; I676-L726 HydrophobicContact CG2-CD1 4.34Å; I676-L726 HydrophobicContact CG2-CD2 4Å
677	I	96	Very high	92.1	Very high	29 Å²	29	58 Å²	58	15%	0.149	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-39.6	177.5	-64.7	165	0	0	0	110.7	V598 V631 T635 A638 C673 S674 F675 I679 Q680 A681	V598-I677 HydrophobicContact CG1-CD1 4.26Å; V631-I677 HydrophobicContact CG1-CG2 4.4Å; T635-I677 HydrophobicContact CG2-CD1 4.14Å; A638-I677 HydrophobicContact CB-CD1 4.32Å; A638-I677 HydrophobicContact CB-CG1 3.81Å; C673-I677 VanDerWaalsContact O-CG1 3.29Å; C673-I677 WeakPolarHBondContact O-CG1 3.1Å; C673-I677 PolarHBondContact O-N 2.81Å; S674-I677 PolarHBondContact O-N 3.05Å; F675-I677 VanDerWaalsContact C-N 3.35Å; F675-I677 PolarHBondContact O-N 2.85Å; I677-I679 VanDerWaalsContact C-N 3.28Å; I677-I679 PolarHBondContact O-N 2.82Å; I677-Q680 PolarHBondContact O-N 2.97Å; I677-A681 PolarHBondContact O-N 3.45Å
678	S	95.2	Very high	92.1	Very high	57 Å²	57	54.3 Å²	54.3	40%	0.399	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-32	180	75.6	0	0	0	0	113.1	S674 F675 I676 A681 L682	S674-S678 VanDerWaalsContact O-CB 3.28Å; S674-S678 WeakPolarHBondContact O-CB 3.46Å; S674-S678 PolarHBondContact O-N 3.12Å; S674-S678 PolarHBondContact O-OG 3.28Å; F675-S678 PolarHBondContact O-N 2.9Å; F675-S678 VanDerWaalsContact O-N 3.17Å; F675-S678 PolarHBondContact O-OG 3.21Å; I676-S678 VanDerWaalsContact C-N 3.31Å; I676-S678 PolarHBondContact O-N 2.89Å; S678-A681 PolarHBondContact O-N 3.35Å; S678-L682 WeakPolarHBondContact O-CB 3.38Å; S678-L682 PolarHBondContact O-N 3.11Å
679	I	94.7	Very high	92.2	Very high	62 Å²	62	58.2 Å²	58.2	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-51	174.4	-64.7	169.4	0	0	0	109.7	F675 I676 I677 A681 L682 T683 F722	F675-I679 HydrophobicContact CD1-CD1 4.25Å; F675-I679 HydrophobicContact CE1-CD1 3.76Å; F675-I679 HydrophobicContact CZ-CD1 4.07Å; F675-I679 PolarHBondContact O-N 3.42Å; I676-I679 PolarHBondContact O-N 3.12Å; I677-I679 VanDerWaalsContact C-N 3.28Å; I677-I679 PolarHBondContact O-N 2.82Å; I679-A681 PolarHBondContact O-N 2.97Å; I679-L682 PolarHBondContact O-N 2.87Å; I679-T683 PolarHBondContact O-N 3.43Å; I679-T683 PolarHBondContact O-OG1 3.08Å; I679-T683 VanDerWaalsContact O-OG1 3.06Å; I679-F722 HydrophobicContact CB-CZ 4.2Å; I679-F722 HydrophobicContact CG2-CE2 3.92Å; I679-F722 HydrophobicContact CG2-CZ 4.03Å
680	Q	94.1	Very high	92.1	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.028	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-42.5	178.2	-177.1	63.7	26.1	0	0	112.1	V631 C634 I677 T683 A684 S719 F722	V631-Q680 HydrophobicContact CG2-CG 4.21Å; C634-Q680 HydrophobicContact CB-CB 4.11Å; C634-Q680 HydrophobicContact CB-CG 4.02Å; I677-Q680 PolarHBondContact O-N 2.97Å; Q680-T683 PolarHBondContact O-N 2Å; Q680-A684 WeakPolarHBondContact O-CB 3.28Å; Q680-A684 PolarHBondContact O-N 3.34Å; Q680-S719 PolarHBondContact NE2-O 3.48Å; Q680-S719 VanDerWaalsContact NE2-O 3.11Å; Q680-F722 HydrophobicContact CB-CD1 3.96Å; Q680-F722 HydrophobicContact CB-CE1 4.09Å; Q680-F722 HydrophobicContact CG-CD1 4.44Å
681	A	92.5	Very high	91.8	Very high	38 Å²	38	63.7 Å²	63.7	31%	0.314	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-40.8	179.2	0	0	0	0	0	111.8	V631 I677 S678 I679 A684 F685	V631-A681 HydrophobicContact CG2-CB 4.24Å; I677-A681 PolarHBondContact O-N 3.45Å; S678-A681 PolarHBondContact O-N 3.35Å; I679-A681 PolarHBondContact O-N 2.97Å; A681-A684 PolarHBondContact O-N 3.21Å; A681-F685 WeakPolarHBondContact O-CB 3.41Å; A681-F685 PolarHBondContact O-N 3.1Å
682	L	92.5	Very high	91.6	Very high	111 Å²	111	66.6 Å²	66.6	58%	0.581	36%	0.355	S	S	*	.	H	α-helix	trans	-65.6	-44.5	176.5	-176.4	66.3	0	0	0	111.3	S678 I679 A684 F685 V686	S678-L682 WeakPolarHBondContact O-CB 3.38Å; S678-L682 PolarHBondContact O-N 3.11Å; I679-L682 PolarHBondContact O-N 2.87Å; L682-A684 VanDerWaalsContact C-N 3.31Å; L682-A684 PolarHBondContact O-N 3.36Å; L682-F685 PolarHBondContact O-N 3.07Å; L682-V686 HydrophobicContact CD1-CG2 4.49Å; L682-V686 WeakPolarHBondContact O-CG2 3.46Å; L682-V686 PolarHBondContact O-N 2.64Å
683	T	89.4	Confident	91.4	Very high	75 Å²	75	66.6 Å²	66.6	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-43.4	175.2	-56.4	0	0	0	0	111.5	I679 Q680 W687	I679-T683 PolarHBondContact O-N 3.43Å; I679-T683 PolarHBondContact O-OG1 3.08Å; I679-T683 VanDerWaalsContact O-OG1 3.06Å; Q680-T683 PolarHBondContact O-N 2Å; T683-W687 PolarHBondContact O-N 2.92Å; T683-W687 VanDerWaalsContact O-N 3.08Å
684	A	88.8	Confident	91.1	Very high	6 Å²	6	70.9 Å²	70.9	5%	0.05	38%	0.378	C	S	.	.	H	α-helix	trans	-66.2	-37.6	176.3	0	0	0	0	0	112.8	I627 Q680 A681 L682 W687 I688	I627-A684 HydrophobicContact CG1-CB 4.25Å; Q680-A684 WeakPolarHBondContact O-CB 3.28Å; Q680-A684 PolarHBondContact O-N 3.34Å; A681-A684 PolarHBondContact O-N 3.21Å; L682-A684 VanDerWaalsContact C-N 3.31Å; L682-A684 PolarHBondContact O-N 3.36Å; A684-W687 WeakPolarHBondContact O-CB 3.37Å; A684-W687 PolarHBondContact O-N 3.47Å; A684-I688 PolarHBondContact O-N 3.07Å
685	F	89.7	Confident	91	Very high	126 Å²	126	69.6 Å²	69.6	55%	0.553	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-48.5	176.5	-178	-97.3	0	0	0	111.9	A681 L682 W687 I688 V689	A681-F685 WeakPolarHBondContact O-CB 3.41Å; A681-F685 PolarHBondContact O-N 3.1Å; L682-F685 PolarHBondContact O-N 3.07Å; F685-W687 PolarHBondContact O-N 2.83Å; F685-I688 PolarHBondContact O-N 3.03Å; F685-I688 VanDerWaalsContact O-N 3.13Å; F685-V689 HydrophobicContact CD1-CG2 4.36Å; F685-V689 HydrophobicContact CE1-CG2 3.99Å; F685-V689 HydrophobicContact CZ-CG2 4.24Å; F685-V689 WeakPolarHBondContact O-CG2 3.21Å; F685-V689 PolarHBondContact O-N 2.98Å
686	V	89.7	Confident	90.8	Very high	76 Å²	76	64.9 Å²	64.9	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-55.9	-40.8	175.1	171.3	0	0	0	0	110.4	L682 I688 V689 V690	L682-V686 HydrophobicContact CD1-CG2 4.49Å; L682-V686 WeakPolarHBondContact O-CG2 3.46Å; L682-V686 PolarHBondContact O-N 2.64Å; V686-I688 PolarHBondContact O-N 3.29Å; V686-V689 PolarHBondContact O-N 2.79Å; V686-V690 HydrophobicContact CG1-CG2 4.27Å; V686-V690 WeakPolarHBondContact O-CG2 3.33Å; V686-V690 PolarHBondContact O-N 2.87Å
687	W	86.5	Confident	90.6	Very high	72 Å²	72	66.3 Å²	66.3	27%	0.273	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-46	177.2	-160.6	-54.6	0	0	0	112.6	T683 A684 F685 V689 V690 E691 I718	T683-W687 PolarHBondContact O-N 2.92Å; T683-W687 VanDerWaalsContact O-N 3.08Å; A684-W687 WeakPolarHBondContact O-CB 3.37Å; A684-W687 PolarHBondContact O-N 3.47Å; F685-W687 PolarHBondContact O-N 2.83Å; W687-V689 PolarHBondContact O-N 2.86Å; W687-V690 PolarHBondContact O-N 3.47Å; W687-E691 PolarHBondContact NE1-OE2 3.01Å; W687-E691 PolarHBondContact O-N 2.87Å; W687-I718 HydrophobicContact CH2-CB 3.82Å; W687-I718 HydrophobicContact CH2-CD1 3.95Å; W687-I718 HydrophobicContact CH2-CG2 3.48Å; W687-I718 VanDerWaalsContact CH2-CG2 3.48Å; W687-I718 HydrophobicContact CZ3-CB 4.18Å; W687-I718 HydrophobicContact CZ3-CG2 3.43Å; W687-I718 VanDerWaalsContact CZ3-CG2 3.43Å
688	I	87.8	Confident	90.2	Very high	37 Å²	37	69 Å²	69	19%	0.19	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-32.1	179.3	-77.4	171	0	0	0	112.2	R626 I627 A684 F685 V686 E691	R626-I688 HydrophobicContact CB-CD1 4.15Å; R626-I688 HydrophobicContact CB-CG1 4.14Å; I627-I688 HydrophobicContact CD1-CD1 3.34Å; I627-I688 HydrophobicContact CG1-CD1 3.38Å; A684-I688 PolarHBondContact O-N 3.07Å; F685-I688 PolarHBondContact O-N 3.03Å; F685-I688 VanDerWaalsContact O-N 3.13Å; V686-I688 PolarHBondContact O-N 3.29Å; I688-E691 CarbonylContact O-C 3.55Å
689	V	89	Confident	89.8	Confident	97 Å²	97	70.5 Å²	70.5	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-71.7	-45.9	176.5	176.2	0	0	0	0	111	F685 V686 W687	F685-V689 HydrophobicContact CD1-CG2 4.36Å; F685-V689 HydrophobicContact CE1-CG2 3.99Å; F685-V689 HydrophobicContact CZ-CG2 4.24Å; F685-V689 WeakPolarHBondContact O-CG2 3.21Å; F685-V689 PolarHBondContact O-N 2.98Å; V686-V689 PolarHBondContact O-N 2.79Å; W687-V689 PolarHBondContact O-N 2.86Å
690	V	88.8	Confident	89.3	Confident	121 Å²	121	70.8 Å²	70.8	73%	0.733	38%	0.376	S	S	*	.	H	α-helix	trans	-67.1	-44.1	-179.9	173.2	0	0	0	0	111.1	V686 W687	V686-V690 HydrophobicContact CG1-CG2 4.27Å; V686-V690 WeakPolarHBondContact O-CG2 3.33Å; V686-V690 PolarHBondContact O-N 2.87Å; W687-V690 PolarHBondContact O-N 3.47Å
691	E	86.8	Confident	88.7	Confident	56 Å²	56	72.8 Å²	72.8	26%	0.262	39%	0.389	S	S	.	.	S	Bend	trans	-130.4	109.1	179.5	-170	-168.3	-163.3	0	0	109.8	R626 W687 I688	R626-E691 IonicContact CZ-OE2 2.62Å; R626-E691 PolarHBondContact NH1-O 3.41Å; R626-E691 IonicContact NH1-OE2 2.79Å; R626-E691 PolarHBondContact NH1-OE2 3.23Å; R626-E691 VanDerWaalsContact NH2-CD 3.3Å; R626-E691 IonicContact NH2-OE1 3.32Å; R626-E691 IonicContact NH2-OE2 3.68Å; R626-E691 PolarHBondContact NH2-OE2 3.49Å; W687-E691 PolarHBondContact NE1-OE2 3.01Å; W687-E691 PolarHBondContact O-N 2.87Å; I688-E691 CarbonylContact O-C 3.55Å
692	K	88.7	Confident	88.3	Confident	169 Å²	169	77.7 Å²	77.7	74%	0.735	40%	0.399	S	S	*	.			trans	-63.7	140	-179.3	-64.9	-179.1	-178.6	177.2	0	110.8	E694	K692-E694 PolarHBondContact O-N 2.74Å; K692-E694 VanDerWaalsContact O-N 3.13Å
693	P	87.4	Confident	87.9	Confident	34 Å²	34	76 Å²	76	22%	0.221	39%	0.39	C	S	.	.			trans	-66.3	113.7	175.7	27	-33.2	0	0	0	110	C622	C622-P693 HydrophobicContact CB-CB 4.14Å
694	E	90	Very high	87.7	Confident	91 Å²	91	74.1 Å²	74.1	43%	0.425	38%	0.377	S	S	.	.			trans	-127.6	148.2	-177.1	-173	172.2	-151.2	0	0	110.2	K692 V696 K710	K692-E694 PolarHBondContact O-N 2.74Å; K692-E694 VanDerWaalsContact O-N 3.13Å; E694-V696 HydrophobicContact CG-CG1 4.47Å; E694-K710 HydrophobicContact CB-CB 4.28Å; E694-K710 HydrophobicContact CB-CD 4.05Å; E694-K710 WeakPolarHBondContact O-CB 3.44Å; E694-K710 PolarHBondContact O-N 2.73Å; E694-K710 IonicContact OE2-NZ 3.15Å; E694-K710 PolarHBondContact OE2-NZ 3.27Å
695	V	92	Very high	87.8	Confident	47 Å²	47	74 Å²	74	29%	0.285	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.1	174.7	-179.9	0	0	0	0	107.7	P617 S618 V707	P617-V695 HydrophobicContact CB-CG1 4.18Å; P617-V695 HydrophobicContact CB-CG2 4.43Å; S618-V695 VanDerWaalsContact C-CG2 3.42Å; V695-V707 HydrophobicContact CG1-CG2 3.22Å
696	V	91.7	Very high	87.8	Confident	35 Å²	35	68.3 Å²	68.3	21%	0.212	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.6	-179.1	-64	0	0	0	0	110	E694 L698 S708 K710	E694-V696 HydrophobicContact CG-CG1 4.47Å; V696-L698 HydrophobicContact CG2-CD2 4.06Å; V696-L698 HydrophobicContact CG2-CG 4.3Å; V696-S708 WeakPolarHBondContact CG2-O 3.21Å; V696-S708 PolarHBondContact N-O 3.02Å; V696-S708 PolarHBondContact O-N 2.9Å; V696-S708 VanDerWaalsContact O-O 3.09Å; V696-K710 HydrophobicContact CG1-CB 3.99Å; V696-K710 HydrophobicContact CG1-CD 4.32Å; V696-K710 HydrophobicContact CG1-CG 4.09Å; V696-K710 HydrophobicContact CG2-CB 4.35Å
697	V	90.8	Very high	87.9	Confident	47 Å²	47	65.5 Å²	65.5	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.6	170.3	-175.5	0	0	0	0	107.6	P548 Y699 A705 I706	P548-V697 HydrophobicContact CB-CG1 4.08Å; P548-V697 HydrophobicContact CB-CG2 4.22Å; V697-Y699 HydrophobicContact CG1-CD1 4.33Å; V697-Y699 HydrophobicContact CG1-CE1 3.6Å; V697-Y699 HydrophobicContact CG1-CE2 4.34Å; V697-A705 HydrophobicContact CG1-CB 3.87Å; V697-I706 CarbonylContact C-O 3.56Å; V697-I706 WeakPolarHBondContact CA-O 3.46Å
698	L	88	Confident	88	Confident	86 Å²	86	62.5 Å²	62.5	45%	0.45	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.8	177	-59	175.2	0	0	0	109.1	V696 P700 I706	V696-L698 HydrophobicContact CG2-CD2 4.06Å; V696-L698 HydrophobicContact CG2-CG 4.3Å; L698-P700 VanDerWaalsContact C-CD 3.46Å; L698-P700 VanDerWaalsContact O-CD 3.26Å; L698-P700 WeakPolarHBondContact O-CD 3.42Å; L698-I706 PolarHBondContact N-O 3.43Å; L698-I706 PolarHBondContact O-N 3.29Å
699	Y	87.8	Confident	88.1	Confident	89 Å²	89	61.1 Å²	61.1	35%	0.349	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	77.2	178	-54.1	-72.9	0	0	0	109.2	I532 G533 M546 V697 T701 A705	I532-Y699 HydrophobicContact CG2-CD2 3.65Å; I532-Y699 HydrophobicContact CG2-CE2 4.25Å; I532-Y699 HydrophobicContact CG2-CG 3.81Å; G533-Y699 VanDerWaalsContact CA-CE1 3.48Å; M546-Y699 HydrophobicContact CE-CD1 3.55Å; M546-Y699 HydrophobicContact CE-CE1 3.76Å; V697-Y699 HydrophobicContact CG1-CD1 4.33Å; V697-Y699 HydrophobicContact CG1-CE1 3.6Å; V697-Y699 HydrophobicContact CG1-CE2 4.34Å; Y699-T701 PolarHBondContact O-N 2.82Å; Y699-A705 HydrophobicContact CD1-CB 3.86Å; Y699-A705 HydrophobicContact CE1-CB 3.67Å
700	P	82.6	Confident	88.1	Confident	67 Å²	67	60.1 Å²	60.1	44%	0.435	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-31	-179.5	25.4	-34.2	0	0	0	112.3	L698 I704 I706 P779	L698-P700 VanDerWaalsContact C-CD 3.46Å; L698-P700 VanDerWaalsContact O-CD 3.26Å; L698-P700 WeakPolarHBondContact O-CD 3.42Å; P700-I704 HydrophobicContact CG-CB 4.48Å; P700-I704 HydrophobicContact CG-CG2 4.31Å; P700-I706 HydrophobicContact CG-CD1 3.87Å; P700-I706 HydrophobicContact CG-CG1 4.16Å; P700-P779 HydrophobicContact CB-CB 3.44Å; P700-P779 VanDerWaalsContact CB-CB 3.44Å; P700-P779 HydrophobicContact CB-CG 4Å; P700-P779 HydrophobicContact CG-CB 3.5Å; P700-P779 HydrophobicContact CG-CG 3.8Å
701	T	83	Confident	87.8	Confident	49 Å²	49	56.1 Å²	56.1	30%	0.301	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	171	171.1	63.2	0	0	0	0	109.9	Y699 L703 I704 P779	Y699-T701 PolarHBondContact O-N 2.82Å; T701-L703 PolarHBondContact O-N 3.11Å; T701-I704 PolarHBondContact OG1-N 3.25Å; T701-P779 HydrophobicContact CG2-CG 3.95Å
702	R	83.1	Confident	87.4	Confident	141 Å²	141	54 Å²	54	53%	0.532	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.2	175.3	-72.6	-74.8	-177.6	153.9	-0.2	113.7	T518 I532	T518-R702 HydrophobicContact CG2-CB 3.95Å; I532-R702 VanDerWaalsContact CG1-NH1 3.35Å
703	L	84.4	Confident	86.7	Confident	74 Å²	74	48 Å²	48	39%	0.387	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-10.2	-172.1	-54.5	178.5	0	0	0	113.8	E517 T518 L535 T701	E517-L703 HydrophobicContact CB-CD2 3.77Å; E517-L703 WeakPolarHBondContact OE2-CD1 3.44Å; T518-L703 HydrophobicContact CG2-CD2 4.04Å; L535-L703 HydrophobicContact CD2-CD2 3.81Å; T701-L703 PolarHBondContact O-N 3.11Å
704	I	86.1	Confident	86.2	Confident	37 Å²	37	51 Å²	51	19%	0.19	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.9	-171.2	-60.4	171.8	0	0	0	109.3	P700 T701 I706 P779 M780	P700-I704 HydrophobicContact CG-CB 4.48Å; P700-I704 HydrophobicContact CG-CG2 4.31Å; T701-I704 PolarHBondContact OG1-N 3.25Å; I704-I706 HydrophobicContact CG2-CD1 4.14Å; I704-I706 HydrophobicContact CG2-CG1 3.72Å; I704-P779 HydrophobicContact CD1-CG 3.61Å; I704-M780 HydrophobicContact CG2-CE 4.3Å
705	A	89.6	Confident	85.5	Confident	3 Å²	3	47 Å²	47	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.3	170.5	0	0	0	0	0	108.7	M546 P548 Q549 V697 Y699	M546-A705 HydrophobicContact CB-CB 3.86Å; M546-A705 HydrophobicContact CE-CB 4.29Å; M546-A705 HydrophobicContact SD-CB 4.27Å; P548-A705 CarbonylContact C-O 3.59Å; P548-A705 WeakPolarHBondContact CA-O 3.38Å; P548-A705 HydrophobicContact CB-CB 4.41Å; Q549-A705 PolarHBondContact N-O 3.06Å; V697-A705 HydrophobicContact CG1-CB 3.87Å; Y699-A705 HydrophobicContact CD1-CB 3.86Å; Y699-A705 HydrophobicContact CE1-CB 3.67Å
706	I	90.2	Very high	84.9	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.1	-179.6	-50	-170.8	0	0	0	108.6	V697 L698 P700 I704 M780 F783	V697-I706 CarbonylContact C-O 3.56Å; V697-I706 WeakPolarHBondContact CA-O 3.46Å; L698-I706 PolarHBondContact N-O 3.43Å; L698-I706 PolarHBondContact O-N 3.29Å; P700-I706 HydrophobicContact CG-CD1 3.87Å; P700-I706 HydrophobicContact CG-CG1 4.16Å; I704-I706 HydrophobicContact CG2-CD1 4.14Å; I704-I706 HydrophobicContact CG2-CG1 3.72Å; I706-M780 HydrophobicContact CB-CE 4.42Å; I706-M780 HydrophobicContact CD1-CE 3.71Å; I706-M780 HydrophobicContact CG1-CE 3.61Å; I706-M780 HydrophobicContact CG2-CE 4.29Å; I706-F783 HydrophobicContact CD1-CB 4.05Å; I706-F783 HydrophobicContact CD1-CG 4.38Å; I706-F783 HydrophobicContact CG2-CD1 3.81Å; I706-F783 HydrophobicContact CG2-CD2 4.03Å; I706-F783 HydrophobicContact CG2-CE1 3.86Å; I706-F783 HydrophobicContact CG2-CE2 4.08Å; I706-F783 HydrophobicContact CG2-CG 3.89Å; I706-F783 HydrophobicContact CG2-CZ 4Å
707	V	91.2	Very high	84.3	Confident	17 Å²	17	45.8 Å²	45.8	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.4	170.9	62.4	0	0	0	0	109.7	P548 Q549 Y550 P617 V695	P548-V707 HydrophobicContact CB-CB 4.13Å; Q549-V707 WeakPolarHBondContact O-CG1 3.49Å; Q549-V707 PolarHBondContact O-N 2.71Å; Y550-V707 HydrophobicContact CD1-CG1 4.21Å; Y550-V707 HydrophobicContact CG-CG1 4.41Å; P617-V707 HydrophobicContact CB-CG2 4.19Å; P617-V707 HydrophobicContact CG-CG1 4.29Å; P617-V707 HydrophobicContact CG-CG2 4.32Å; V695-V707 HydrophobicContact CG1-CG2 3.22Å
708	S	89.7	Confident	83.8	Confident	8 Å²	8	47 Å²	47	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162	-178.7	-180	0	0	0	0	111.1	V696	V696-S708 WeakPolarHBondContact CG2-O 3.21Å; V696-S708 PolarHBondContact N-O 3.02Å; V696-S708 PolarHBondContact O-N 2.9Å; V696-S708 VanDerWaalsContact O-O 3.09Å
709	C	90.1	Very high	83.5	Confident	8 Å²	8	43.9 Å²	43.9	5%	0.054	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.7	166.4	-59.9	0	0	0	0	110.3	C622 G711 A712	C622-C709 WeakPolarHBondContact CA-SG 3.16Å; C622-C709 HydrophobicContact CB-CB 3.77Å; C622-C709 WeakPolarHBondContact CB-SG 3.49Å; C622-C709 WeakPolarHBondContact SG-CA 3.37Å; C622-C709 WeakPolarHBondContact SG-CB 3.24Å; C622-C709 CovalentContact SG-SG 2.03Å; C622-C709 PolarHBondContact SG-SG 3.42Å; C709-G711 PolarHBondContact O-N 3.01Å; C709-A712 HydrophobicContact CB-CB 4.42Å; C709-A712 WeakPolarHBondContact O-CB 2.64Å; C709-A712 PolarHBondContact O-N 3.32Å; C709-A712 VanDerWaalsContact O-N 3.16Å
710	K	88.6	Confident	83.4	Confident	76 Å²	76	39.9 Å²	39.9	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	125.6	176.8	-168.5	174	-174.7	169.4	0	110.9	R626 E694 V696 A712	R626-K710 PolarHBondContact NH2-O 2.79Å; E694-K710 HydrophobicContact CB-CB 4.28Å; E694-K710 HydrophobicContact CB-CD 4.05Å; E694-K710 WeakPolarHBondContact O-CB 3.44Å; E694-K710 PolarHBondContact O-N 2.73Å; E694-K710 IonicContact OE2-NZ 3.15Å; E694-K710 PolarHBondContact OE2-NZ 3.27Å; V696-K710 HydrophobicContact CG1-CB 3.99Å; V696-K710 HydrophobicContact CG1-CD 4.32Å; V696-K710 HydrophobicContact CG1-CG 4.09Å; V696-K710 HydrophobicContact CG2-CB 4.35Å; K710-A712 VanDerWaalsContact C-N 3.32Å; K710-A712 PolarHBondContact O-N 3.14Å
711	G	81.2	Confident	83.6	Confident	38 Å²	38	41.2 Å²	41.2	39%	0.392	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	7.3	178.6	0	0	0	0	0	115.9	C709 A713 V714 M715	C709-G711 PolarHBondContact O-N 3.01Å; G711-A713 VanDerWaalsContact C-N 3.3Å; G711-A713 PolarHBondContact O-N 2.82Å; G711-A713 VanDerWaalsContact O-N 3.11Å; G711-V714 PolarHBondContact O-N 3.47Å; G711-V714 VanDerWaalsContact O-N 3.08Å; G711-M715 WeakPolarHBondContact O-CB 3.21Å; G711-M715 PolarHBondContact O-N 3.28Å
712	A	79.6	Confident	84.1	Confident	12 Å²	12	41.6 Å²	41.6	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-47.5	-45.2	-172.7	0	0	0	0	0	114.6	C709 K710 V714 M715 F716	C709-A712 HydrophobicContact CB-CB 4.42Å; C709-A712 WeakPolarHBondContact O-CB 2.64Å; C709-A712 PolarHBondContact O-N 3.32Å; C709-A712 VanDerWaalsContact O-N 3.16Å; K710-A712 VanDerWaalsContact C-N 3.32Å; K710-A712 PolarHBondContact O-N 3.14Å; A712-V714 VanDerWaalsContact C-N 3.28Å; A712-V714 PolarHBondContact O-N 3.12Å; A712-M715 PolarHBondContact O-N 2.78Å; A712-F716 HydrophobicContact CB-CE2 3.87Å; A712-F716 HydrophobicContact CB-CZ 4.28Å; A712-F716 WeakPolarHBondContact O-CD2 3.43Å; A712-F716 PolarHBondContact O-N 2.86Å
713	A	74.5	Confident	84.5	Confident	43 Å²	43	34.9 Å²	34.9	36%	0.355	20%	0.202	S	C	.	.	H	α-helix	trans	-55.5	-40.5	-177.7	0	0	0	0	0	113.4	G711 P717 Y768	G711-A713 VanDerWaalsContact C-N 3.3Å; G711-A713 PolarHBondContact O-N 2.82Å; G711-A713 VanDerWaalsContact O-N 3.11Å; A713-P717 WeakPolarHBondContact O-CD 3.4Å; A713-Y768 WeakPolarHBondContact CA-OH 3.36Å; A713-Y768 PolarHBondContact O-OH 2.99Å
714	V	76.7	Confident	84.8	Confident	95 Å²	95	34.2 Å²	34.2	58%	0.576	20%	0.198	S	C	*	.	H	α-helix	trans	-98.3	-31.1	-175.9	-172.2	0	0	0	0	111.3	G711 A712 F716 P717 I718	G711-V714 PolarHBondContact O-N 3.47Å; G711-V714 VanDerWaalsContact O-N 3.08Å; A712-V714 VanDerWaalsContact C-N 3.28Å; A712-V714 PolarHBondContact O-N 3.12Å; V714-F716 PolarHBondContact O-N 2.9Å; V714-P717 WeakPolarHBondContact O-CD 3.21Å; V714-I718 HydrophobicContact CG1-CD1 3.57Å; V714-I718 HydrophobicContact CG1-CG1 4.21Å; V714-I718 WeakPolarHBondContact O-CG1 3.36Å; V714-I718 PolarHBondContact O-N 2.93Å
715	M	74.3	Confident	85.1	Confident	9 Å²	9	37 Å²	37	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-41.6	-177.4	-177.3	-175.5	85.6	0	0	112.4	R626 G711 A712 S719	R626-M715 VanDerWaalsContact CD-SD 3.56Å; R626-M715 HydrophobicContact CG-CE 3.99Å; R626-M715 HydrophobicContact CG-SD 3.53Å; R626-M715 VanDerWaalsContact CG-SD 3.53Å; R626-M715 PolarHBondContact NE-SD 3.25Å; G711-M715 WeakPolarHBondContact O-CB 3.21Å; G711-M715 PolarHBondContact O-N 3.28Å; A712-M715 PolarHBondContact O-N 2.78Å; M715-S719 WeakPolarHBondContact O-CB 3Å; M715-S719 PolarHBondContact O-N 3.46Å
716	F	79.2	Confident	85.3	Confident	21 Å²	21	37.2 Å²	37.2	9%	0.092	21%	0.214	C	C	.	.	H	α-helix	trans	-67.1	-51.5	-177.1	-58.4	-49.5	0	0	0	112.7	L613 L625 I629 A712 V714 I718 S719 M720 L790	L613-F716 HydrophobicContact CD2-CZ 4.11Å; L625-F716 HydrophobicContact CB-CE1 4.36Å; I629-F716 HydrophobicContact CD1-CD1 3.64Å; I629-F716 HydrophobicContact CD1-CE1 3.49Å; I629-F716 VanDerWaalsContact CD1-CE1 3.49Å; I629-F716 HydrophobicContact CD1-CZ 4.36Å; A712-F716 HydrophobicContact CB-CE2 3.87Å; A712-F716 HydrophobicContact CB-CZ 4.28Å; A712-F716 WeakPolarHBondContact O-CD2 3.43Å; A712-F716 PolarHBondContact O-N 2.86Å; V714-F716 PolarHBondContact O-N 2.9Å; F716-I718 VanDerWaalsContact C-N 3.32Å; F716-I718 PolarHBondContact O-N 3.3Å; F716-S719 PolarHBondContact O-N 3.31Å; F716-M720 WeakPolarHBondContact O-CG 3.01Å; F716-M720 PolarHBondContact O-N 3.33Å; F716-L790 HydrophobicContact CB-CD2 4.26Å; F716-L790 HydrophobicContact CD1-CD2 4.01Å; F716-L790 HydrophobicContact CD2-CD2 3.41Å; F716-L790 VanDerWaalsContact CD2-CD2 3.41Å; F716-L790 HydrophobicContact CE1-CD2 4.15Å; F716-L790 HydrophobicContact CE2-CD2 3.57Å; F716-L790 HydrophobicContact CG-CD2 3.65Å; F716-L790 HydrophobicContact CZ-CD2 3.94Å
717	P	78.8	Confident	85.5	Confident	34 Å²	34	37.3 Å²	37.3	22%	0.221	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-42.9	174.6	-26.8	34.1	0	0	0	113.6	A713 V714 S719 M720 I721 Y768 F769	A713-P717 WeakPolarHBondContact O-CD 3.4Å; V714-P717 WeakPolarHBondContact O-CD 3.21Å; P717-S719 PolarHBondContact O-N 2.99Å; P717-M720 PolarHBondContact O-N 2.98Å; P717-M720 VanDerWaalsContact O-N 3.16Å; P717-I721 PolarHBondContact O-N 2.97Å; P717-Y768 HydrophobicContact CG-CD1 4.29Å; P717-Y768 HydrophobicContact CG-CE1 3.72Å; P717-F769 HydrophobicContact CB-CE2 4.47Å; P717-F769 HydrophobicContact CB-CZ 3.9Å; P717-F769 HydrophobicContact CG-CE1 4.2Å; P717-F769 HydrophobicContact CG-CE2 4.19Å; P717-F769 HydrophobicContact CG-CZ 3.5Å
718	I	80.6	Confident	85.6	Confident	72 Å²	72	40.9 Å²	40.9	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-42.9	-178.4	-61.9	175.1	0	0	0	111.1	W687 V714 F716 M720 I721	W687-I718 HydrophobicContact CH2-CB 3.82Å; W687-I718 HydrophobicContact CH2-CD1 3.95Å; W687-I718 HydrophobicContact CH2-CG2 3.48Å; W687-I718 VanDerWaalsContact CH2-CG2 3.48Å; W687-I718 HydrophobicContact CZ3-CB 4.18Å; W687-I718 HydrophobicContact CZ3-CG2 3.43Å; W687-I718 VanDerWaalsContact CZ3-CG2 3.43Å; V714-I718 HydrophobicContact CG1-CD1 3.57Å; V714-I718 HydrophobicContact CG1-CG1 4.21Å; V714-I718 WeakPolarHBondContact O-CG1 3.36Å; V714-I718 PolarHBondContact O-N 2.93Å; F716-I718 VanDerWaalsContact C-N 3.32Å; F716-I718 PolarHBondContact O-N 3.3Å; I718-M720 PolarHBondContact O-N 2.92Å; I718-M720 VanDerWaalsContact O-N 3.09Å; I718-I721 HydrophobicContact CG2-CD1 4.16Å; I718-I721 WeakPolarHBondContact O-CG1 3.31Å; I718-I721 PolarHBondContact O-N 2.92Å; I718-I721 VanDerWaalsContact O-N 3.15Å
719	S	82.1	Confident	85.8	Confident	21 Å²	21	44.5 Å²	44.5	15%	0.147	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-20.5	177.6	-171.6	0	0	0	0	112.9	Q680 M715 F716 P717	Q680-S719 PolarHBondContact NE2-O 3.48Å; Q680-S719 VanDerWaalsContact NE2-O 3.11Å; M715-S719 WeakPolarHBondContact O-CB 3Å; M715-S719 PolarHBondContact O-N 3.46Å; F716-S719 PolarHBondContact O-N 3.31Å; P717-S719 PolarHBondContact O-N 2.99Å
720	M	85.3	Confident	86	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-91.5	-9.6	-179.9	-64.1	-59.1	116.6	0	0	114.8	I629 G630 F716 P717 I718 F722 N723 I724 W761	I629-M720 HydrophobicContact CB-CE 4.02Å; I629-M720 HydrophobicContact CG2-CE 3.5Å; I629-M720 VanDerWaalsContact CG2-CE 3.5Å; I629-M720 HydrophobicContact CG2-SD 4.35Å; G630-M720 VanDerWaalsContact CA-CE 3.4Å; F716-M720 WeakPolarHBondContact O-CG 3.01Å; F716-M720 PolarHBondContact O-N 3.33Å; P717-M720 PolarHBondContact O-N 2.98Å; P717-M720 VanDerWaalsContact O-N 3.16Å; I718-M720 PolarHBondContact O-N 2.92Å; I718-M720 VanDerWaalsContact O-N 3.09Å; M720-F722 VanDerWaalsContact C-N 3.3Å; M720-F722 PolarHBondContact O-N 3.21Å; M720-N723 CarbonylContact O-C 3.44Å; M720-N723 WeakPolarHBondContact O-CA 3.38Å; M720-N723 WeakPolarHBondContact O-CB 3.5Å; M720-N723 PolarHBondContact O-N 3.15Å; M720-N723 HydrophobicContact SD-CB 4.4Å; M720-I724 HydrophobicContact CB-CD1 4.49Å; M720-I724 WeakPolarHBondContact O-CG1 3.49Å; M720-I724 PolarHBondContact O-N 2.96Å; M720-W761 HydrophobicContact CB-CH2 3.98Å; M720-W761 HydrophobicContact CB-CZ3 4.1Å; M720-W761 HydrophobicContact CG-CH2 3.56Å; M720-W761 HydrophobicContact CG-CZ3 4Å; M720-W761 HydrophobicContact SD-CH2 3.58Å; M720-W761 VanDerWaalsContact SD-CH2 3.58Å; M720-W761 HydrophobicContact SD-CZ2 4.17Å
721	I	88.2	Confident	86.2	Confident	95 Å²	95	41.8 Å²	41.8	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-55.4	-46.7	-176.5	-68.7	173.6	0	0	0	111.4	P717 I718 N723 I724 L725	P717-I721 PolarHBondContact O-N 2.97Å; I718-I721 HydrophobicContact CG2-CD1 4.16Å; I718-I721 WeakPolarHBondContact O-CG1 3.31Å; I718-I721 PolarHBondContact O-N 2.92Å; I718-I721 VanDerWaalsContact O-N 3.15Å; I721-N723 VanDerWaalsContact C-N 3.34Å; I721-N723 PolarHBondContact O-N 2.87Å; I721-I724 PolarHBondContact O-N 3.34Å; I721-L725 HydrophobicContact CG2-CD1 4.44Å; I721-L725 WeakPolarHBondContact O-CG 3.32Å; I721-L725 PolarHBondContact O-N 2.86Å
722	F	92.1	Very high	86.8	Confident	57 Å²	57	44 Å²	44	25%	0.25	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-39.1	177.5	-178	-103.9	0	0	0	112.4	I676 I679 Q680 M720 L725 L726	I676-F722 HydrophobicContact CG2-CE1 4.18Å; I676-F722 HydrophobicContact CG2-CZ 4.09Å; I679-F722 HydrophobicContact CB-CZ 4.2Å; I679-F722 HydrophobicContact CG2-CE2 3.92Å; I679-F722 HydrophobicContact CG2-CZ 4.03Å; Q680-F722 HydrophobicContact CB-CD1 3.96Å; Q680-F722 HydrophobicContact CB-CE1 4.09Å; Q680-F722 HydrophobicContact CG-CD1 4.44Å; M720-F722 VanDerWaalsContact C-N 3.3Å; M720-F722 PolarHBondContact O-N 3.21Å; F722-L725 PolarHBondContact O-N 3.34Å; F722-L726 WeakPolarHBondContact O-CB 3.26Å; F722-L726 PolarHBondContact O-N 2.97Å
723	N	91.6	Very high	87.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-41.4	175.2	-79.2	-68.4	0	0	0	111.7	G630 C634 M720 I721 L726 I727	G630-N723 PolarHBondContact O-ND2 3.09Å; C634-N723 WeakPolarHBondContact CA-OD1 3.19Å; C634-N723 WeakPolarHBondContact CB-OD1 3.21Å; C634-N723 PolarHBondContact N-OD1 2.65Å; M720-N723 CarbonylContact O-C 3.44Å; M720-N723 WeakPolarHBondContact O-CA 3.38Å; M720-N723 WeakPolarHBondContact O-CB 3.5Å; M720-N723 PolarHBondContact O-N 3.15Å; M720-N723 HydrophobicContact SD-CB 4.4Å; I721-N723 VanDerWaalsContact C-N 3.34Å; I721-N723 PolarHBondContact O-N 2.87Å; N723-L726 PolarHBondContact O-N 2.81Å; N723-I727 WeakPolarHBondContact O-CD1 3.45Å; N723-I727 VanDerWaalsContact O-CG1 3.22Å; N723-I727 WeakPolarHBondContact O-CG1 3.25Å; N723-I727 PolarHBondContact O-N 3.24Å
724	I	90.8	Very high	88.1	Confident	59 Å²	59	44.9 Å²	44.9	30%	0.303	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-46.1	176.1	-67.3	167.1	0	0	0	110.5	M720 I721 L726 I727 I728	M720-I724 HydrophobicContact CB-CD1 4.49Å; M720-I724 WeakPolarHBondContact O-CG1 3.49Å; M720-I724 PolarHBondContact O-N 2.96Å; I721-I724 PolarHBondContact O-N 3.34Å; I724-L726 VanDerWaalsContact C-N 3.29Å; I724-L726 PolarHBondContact O-N 3.18Å; I724-I727 PolarHBondContact O-N 3.49Å; I724-I728 HydrophobicContact CG2-CD1 4Å; I724-I728 VanDerWaalsContact O-CG1 3.32Å; I724-I728 WeakPolarHBondContact O-CG1 3.24Å; I724-I728 PolarHBondContact O-N 3.36Å
725	L	93.1	Very high	88.7	Confident	96 Å²	96	45.2 Å²	45.2	50%	0.503	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-43.1	175	-68.3	174.3	0	0	0	111.4	I721 F722 I728 L729	I721-L725 HydrophobicContact CG2-CD1 4.44Å; I721-L725 WeakPolarHBondContact O-CG 3.32Å; I721-L725 PolarHBondContact O-N 2.86Å; F722-L725 PolarHBondContact O-N 3.34Å; L725-I728 PolarHBondContact O-N 3.48Å; L725-L729 WeakPolarHBondContact O-CG 3.4Å; L725-L729 PolarHBondContact O-N 2.94Å
726	L	94.3	Very high	89.4	Confident	8 Å²	8	51 Å²	51	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-39.1	177.7	-170.9	58.7	0	0	0	112.1	A638 F641 I676 F722 N723 I724 L729 C730	A638-L726 HydrophobicContact CB-CD2 4.4Å; F641-L726 HydrophobicContact CB-CD1 4.1Å; F641-L726 HydrophobicContact CD1-CD1 4.41Å; F641-L726 HydrophobicContact CG-CD1 4.09Å; I676-L726 HydrophobicContact CG2-CD1 4.34Å; I676-L726 HydrophobicContact CG2-CD2 4Å; F722-L726 WeakPolarHBondContact O-CB 3.26Å; F722-L726 PolarHBondContact O-N 2.97Å; N723-L726 PolarHBondContact O-N 2.81Å; I724-L726 VanDerWaalsContact C-N 3.29Å; I724-L726 PolarHBondContact O-N 3.18Å; L726-L729 PolarHBondContact O-N 3.23Å; L726-C730 WeakPolarHBondContact O-CB 3.21Å; L726-C730 PolarHBondContact O-N 3.48Å; L726-C730 PolarHBondContact O-SG 2.83Å
727	I	93.6	Very high	89.7	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-44.3	174.2	-70.7	161.8	0	0	0	110.6	Y637 N723 I724 C730 T731 M754 T757 W761	Y637-I727 HydrophobicContact CD1-CG1 4.07Å; Y637-I727 HydrophobicContact CD2-CD1 4.17Å; Y637-I727 HydrophobicContact CD2-CG1 3.84Å; Y637-I727 HydrophobicContact CE1-CD1 4.44Å; Y637-I727 HydrophobicContact CE1-CG1 4.01Å; Y637-I727 HydrophobicContact CE2-CD1 3.65Å; Y637-I727 HydrophobicContact CE2-CG1 3.76Å; Y637-I727 HydrophobicContact CG-CG1 4.01Å; N723-I727 WeakPolarHBondContact O-CD1 3.45Å; N723-I727 VanDerWaalsContact O-CG1 3.22Å; N723-I727 WeakPolarHBondContact O-CG1 3.25Å; N723-I727 PolarHBondContact O-N 3.24Å; I724-I727 PolarHBondContact O-N 3.49Å; I727-C730 PolarHBondContact O-N 3.12Å; I727-T731 WeakPolarHBondContact O-CB 3.49Å; I727-T731 PolarHBondContact O-N 2.75Å; I727-T731 PolarHBondContact O-OG1 2.96Å; I727-M754 HydrophobicContact CB-CE 4.35Å; I727-M754 HydrophobicContact CG2-CE 3.94Å; I727-T757 HydrophobicContact CD1-CG2 3.98Å; I727-T757 HydrophobicContact CG1-CG2 4.16Å; I727-T757 HydrophobicContact CG2-CG2 4.21Å; I727-W761 HydrophobicContact CD1-CD2 4.44Å; I727-W761 HydrophobicContact CD1-CG 4.23Å
728	I	93.8	Very high	90	Very high	92 Å²	92	55.6 Å²	55.6	47%	0.472	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-49.8	176.4	-68.4	165.4	0	0	0	109.8	I724 L725 C730 T731 V732	I724-I728 HydrophobicContact CG2-CD1 4Å; I724-I728 VanDerWaalsContact O-CG1 3.32Å; I724-I728 WeakPolarHBondContact O-CG1 3.24Å; I724-I728 PolarHBondContact O-N 3.36Å; L725-I728 PolarHBondContact O-N 3.48Å; I728-C730 PolarHBondContact O-N 3.44Å; I728-T731 PolarHBondContact O-N 3.2Å; I728-T731 VanDerWaalsContact O-N 3.16Å; I728-V732 HydrophobicContact CG2-CG2 4.47Å; I728-V732 WeakPolarHBondContact O-CG2 3.14Å; I728-V732 PolarHBondContact O-N 3.36Å
729	L	93.8	Very high	90	Very high	84 Å²	84	60.7 Å²	60.7	44%	0.44	29%	0.289	S	S	.	.	H	α-helix	trans	-59	-48.7	177.5	-71.3	172.2	0	0	0	111.6	F641 L725 L726 T731 V732 Y733	F641-L729 HydrophobicContact CD2-CB 4.44Å; F641-L729 HydrophobicContact CE2-CB 4.05Å; L725-L729 WeakPolarHBondContact O-CG 3.4Å; L725-L729 PolarHBondContact O-N 2.94Å; L726-L729 PolarHBondContact O-N 3.23Å; L729-T731 VanDerWaalsContact C-N 3.26Å; L729-T731 PolarHBondContact O-N 3.18Å; L729-V732 PolarHBondContact O-N 3.11Å; L729-Y733 WeakPolarHBondContact O-CD2 3.19Å; L729-Y733 PolarHBondContact O-N 3.47Å
730	C	94.1	Very high	89.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-40.4	175.8	-71	0	0	0	0	112.1	F641 L726 I727 I728 Y733 A734 M754	F641-C730 WeakPolarHBondContact CB-SG 3.47Å; L726-C730 WeakPolarHBondContact O-CB 3.21Å; L726-C730 PolarHBondContact O-N 3.48Å; L726-C730 PolarHBondContact O-SG 2.83Å; I727-C730 PolarHBondContact O-N 3.12Å; I728-C730 PolarHBondContact O-N 3.44Å; C730-Y733 PolarHBondContact O-N 3.5Å; C730-A734 WeakPolarHBondContact O-CB 3.41Å; C730-A734 PolarHBondContact O-N 3.14Å; C730-M754 HydrophobicContact CB-CE 3.26Å; C730-M754 HydrophobicContact CB-CG 4.2Å; C730-M754 HydrophobicContact CB-SD 3.58Å; C730-M754 VanDerWaalsContact CB-SD 3.58Å
731	T	93.6	Very high	89	Confident	27 Å²	27	63.9 Å²	63.9	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-42.5	-179.5	-55.7	0	0	0	0	111.5	I727 I728 L729 Y733 A734 F735 Y755 C758	I727-T731 WeakPolarHBondContact O-CB 3.49Å; I727-T731 PolarHBondContact O-N 2.75Å; I727-T731 PolarHBondContact O-OG1 2.96Å; I728-T731 PolarHBondContact O-N 3.2Å; I728-T731 VanDerWaalsContact O-N 3.16Å; L729-T731 VanDerWaalsContact C-N 3.26Å; L729-T731 PolarHBondContact O-N 3.18Å; T731-Y733 VanDerWaalsContact C-N 3.35Å; T731-Y733 PolarHBondContact O-N 2.84Å; T731-A734 PolarHBondContact O-N 2.64Å; T731-F735 WeakPolarHBondContact O-CB 3.06Å; T731-F735 PolarHBondContact O-N 3.06Å; T731-Y755 HydrophobicContact CG2-CD1 4.29Å; T731-Y755 HydrophobicContact CG2-CE1 4.13Å; T731-C758 PolarHBondContact OG1-SG 3.38Å; T731-C758 VanDerWaalsContact OG1-SG 3.39Å
732	V	93.1	Very high	87.6	Confident	86 Å²	86	67.7 Å²	67.7	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-45.2	174.5	170.7	0	0	0	0	110.6	I728 L729 F735 K736	I728-V732 HydrophobicContact CG2-CG2 4.47Å; I728-V732 WeakPolarHBondContact O-CG2 3.14Å; I728-V732 PolarHBondContact O-N 3.36Å; L729-V732 PolarHBondContact O-N 3.11Å; V732-F735 PolarHBondContact O-N 2.91Å; V732-K736 PolarHBondContact O-N 3.16Å
733	Y	90.8	Very high	86.1	Confident	71 Å²	71	72.2 Å²	72.2	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-36.2	177.6	-87.1	-92.4	0	0	0	112.9	F641 L645 A648 L729 C730 T731 F735 K736 T737	F641-Y733 AromaticContact CE2-CD2 3.79Å; F641-Y733 HydrophobicContact CE2-CD2 3.79Å; F641-Y733 HydrophobicContact CE2-CE2 4.04Å; F641-Y733 HydrophobicContact CE2-CG 4.31Å; F641-Y733 HydrophobicContact CZ-CE2 4.35Å; L645-Y733 HydrophobicContact CD1-CE1 4.15Å; A648-Y733 HydrophobicContact CB-CD1 4.28Å; L729-Y733 WeakPolarHBondContact O-CD2 3.19Å; L729-Y733 PolarHBondContact O-N 3.47Å; C730-Y733 PolarHBondContact O-N 3.5Å; T731-Y733 VanDerWaalsContact C-N 3.35Å; T731-Y733 PolarHBondContact O-N 2.84Å; Y733-F735 VanDerWaalsContact C-N 3.32Å; Y733-K736 PolarHBondContact O-N 3.45Å; Y733-T737 WeakPolarHBondContact O-CB 3.33Å; Y733-T737 WeakPolarHBondContact O-CG2 3.26Å; Y733-T737 PolarHBondContact O-N 3.11Å; Y733-T737 PolarHBondContact O-OG1 3.22Å
734	A	90.1	Very high	84.9	Confident	2 Å²	2	76.8 Å²	76.8	2%	0.017	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-42.2	172.2	0	0	0	0	0	111.1	C730 T731 T737 R738 I750 M754	C730-A734 WeakPolarHBondContact O-CB 3.41Å; C730-A734 PolarHBondContact O-N 3.14Å; T731-A734 PolarHBondContact O-N 2.64Å; A734-T737 WeakPolarHBondContact CA-OG1 3.37Å; A734-T737 PolarHBondContact O-N 3.39Å; A734-T737 PolarHBondContact O-OG1 3.15Å; A734-T737 VanDerWaalsContact O-OG1 3.11Å; A734-R738 PolarHBondContact O-N 3.26Å; A734-I750 HydrophobicContact CB-CG2 4.24Å; A734-M754 HydrophobicContact CB-CB 4.37Å; A734-M754 HydrophobicContact CB-CG 4.1Å
735	F	90.3	Very high	84.1	Confident	102 Å²	102	78 Å²	78	45%	0.447	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-42.6	174.2	-176.7	-94.5	0	0	0	112.2	T731 V732 Y733 T737 R738	T731-F735 WeakPolarHBondContact O-CB 3.06Å; T731-F735 PolarHBondContact O-N 3.06Å; V732-F735 PolarHBondContact O-N 2.91Å; Y733-F735 VanDerWaalsContact C-N 3.32Å; F735-T737 VanDerWaalsContact C-N 3.3Å; F735-T737 PolarHBondContact O-N 3.24Å; F735-R738 WeakPolarHBondContact O-CB 3.29Å; F735-R738 VanDerWaalsContact O-CD 3.26Å; F735-R738 WeakPolarHBondContact O-CD 3.24Å; F735-R738 WeakPolarHBondContact O-CG 3.33Å; F735-R738 PolarHBondContact O-N 3.27Å
736	K	87.9	Confident	83.6	Confident	130 Å²	130	74.2 Å²	74.2	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-63.5	-36.8	177.3	-171.6	174.2	179.5	176.2	0	112.1	V732 Y733 R738	V732-K736 PolarHBondContact O-N 3.16Å; Y733-K736 PolarHBondContact O-N 3.45Å; K736-R738 VanDerWaalsContact C-N 3.34Å
737	T	85.2	Confident	83.2	Confident	4 Å²	4	74.5 Å²	74.5	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-82.9	-5.1	-178.7	51.5	0	0	0	0	114.1	A648 Y733 A734 F735 K739 I740	A648-T737 HydrophobicContact CB-CG2 3.84Å; Y733-T737 WeakPolarHBondContact O-CB 3.33Å; Y733-T737 WeakPolarHBondContact O-CG2 3.26Å; Y733-T737 PolarHBondContact O-N 3.11Å; Y733-T737 PolarHBondContact O-OG1 3.22Å; A734-T737 WeakPolarHBondContact CA-OG1 3.37Å; A734-T737 PolarHBondContact O-N 3.39Å; A734-T737 PolarHBondContact O-OG1 3.15Å; A734-T737 VanDerWaalsContact O-OG1 3.11Å; F735-T737 VanDerWaalsContact C-N 3.3Å; F735-T737 PolarHBondContact O-N 3.24Å; T737-K739 PolarHBondContact O-N 3Å; T737-K739 VanDerWaalsContact O-N 3.14Å; T737-I740 HydrophobicContact CG2-CD1 3.95Å; T737-I740 VanDerWaalsContact O-CB 3.32Å; T737-I740 WeakPolarHBondContact O-CB 3.36Å; T737-I740 WeakPolarHBondContact O-CD1 3.33Å; T737-I740 VanDerWaalsContact O-CG1 3.29Å; T737-I740 WeakPolarHBondContact O-CG1 3.43Å; T737-I740 PolarHBondContact O-N 3.15Å; T737-I740 VanDerWaalsContact O-N 3.12Å
738	R	85.8	Confident	83	Confident	147 Å²	147	79.7 Å²	79.7	56%	0.555	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.1	179	83.4	-170.4	173	150.8	-0	114.8	A734 F735 K736 I740	A734-R738 PolarHBondContact O-N 3.26Å; F735-R738 WeakPolarHBondContact O-CB 3.29Å; F735-R738 VanDerWaalsContact O-CD 3.26Å; F735-R738 WeakPolarHBondContact O-CD 3.24Å; F735-R738 WeakPolarHBondContact O-CG 3.33Å; F735-R738 PolarHBondContact O-N 3.27Å; K736-R738 VanDerWaalsContact C-N 3.34Å; R738-I740 VanDerWaalsContact C-N 3.29Å
739	K	80.5	Confident	82.8	Confident	180 Å²	180	77.4 Å²	77.4	78%	0.783	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.5	-179.9	-65.5	-172	178.5	-175	0	113.3	T737	T737-K739 PolarHBondContact O-N 3Å; T737-K739 VanDerWaalsContact O-N 3.14Å
740	I	76.6	Confident	82.7	Confident	17 Å²	17	73.5 Å²	73.5	9%	0.087	35%	0.347	C	S	.	.	S	Bend	trans	-63.5	133.7	175.4	-68.7	170	0	0	0	108.5	L647 F651 T737 R738 F744 T747	L647-I740 HydrophobicContact CB-CD1 4.3Å; F651-I740 HydrophobicContact CB-CD1 4.2Å; F651-I740 HydrophobicContact CB-CG1 4.07Å; F651-I740 HydrophobicContact CD1-CG1 4.41Å; F651-I740 HydrophobicContact CD1-CG2 4.19Å; F651-I740 HydrophobicContact CD2-CB 4.41Å; F651-I740 HydrophobicContact CD2-CD1 3.36Å; F651-I740 HydrophobicContact CD2-CG1 3.71Å; F651-I740 HydrophobicContact CD2-CG2 3.78Å; F651-I740 HydrophobicContact CE1-CG2 3.86Å; F651-I740 HydrophobicContact CE2-CB 4.48Å; F651-I740 HydrophobicContact CE2-CD1 3.93Å; F651-I740 HydrophobicContact CE2-CG1 4.25Å; F651-I740 HydrophobicContact CE2-CG2 3.42Å; F651-I740 VanDerWaalsContact CE2-CG2 3.42Å; F651-I740 HydrophobicContact CG-CD1 3.93Å; F651-I740 HydrophobicContact CG-CG1 3.81Å; F651-I740 HydrophobicContact CG-CG2 4.16Å; F651-I740 HydrophobicContact CZ-CG2 3.46Å; F651-I740 VanDerWaalsContact CZ-CG2 3.46Å; T737-I740 HydrophobicContact CG2-CD1 3.95Å; T737-I740 VanDerWaalsContact O-CB 3.32Å; T737-I740 WeakPolarHBondContact O-CB 3.36Å; T737-I740 WeakPolarHBondContact O-CD1 3.33Å; T737-I740 VanDerWaalsContact O-CG1 3.29Å; T737-I740 WeakPolarHBondContact O-CG1 3.43Å; T737-I740 PolarHBondContact O-N 3.15Å; T737-I740 VanDerWaalsContact O-N 3.12Å; R738-I740 VanDerWaalsContact C-N 3.29Å; I740-F744 HydrophobicContact CG2-CB 4.26Å; I740-T747 HydrophobicContact CB-CG2 4.05Å; I740-T747 HydrophobicContact CD1-CG2 3.83Å; I740-T747 HydrophobicContact CG2-CG2 4.1Å
741	P	69.1	Low	82.5	Confident	77 Å²	77	73.8 Å²	73.8	50%	0.5	35%	0.35	S	S	.	.			trans	-55.5	143.8	-171.3	19	-32.8	0	0	0	113.7	F651 N743 F744	F651-P741 HydrophobicContact CE1-CG 4.44Å; P741-N743 PolarHBondContact O-N 2.68Å; P741-F744 PolarHBondContact O-N 3Å
742	E	58.7	Low	82.4	Confident	174 Å²	174	77.4 Å²	77.4	81%	0.813	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.9	-171.3	-64.7	-169.8	151.5	0	0	115.2	F744 N745	E742-F744 PolarHBondContact O-N 3.03Å; E742-N745 PolarHBondContact O-N 2.86Å; E742-N745 PolarHBondContact O-OD1 2.81Å
743	N	61.2	Low	82.5	Confident	152 Å²	152	73.4 Å²	73.4	81%	0.813	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.4	173.3	-70.2	-27.3	0	0	0	112.7	P741	P741-N743 PolarHBondContact O-N 2.68Å
744	F	66.2	Low	82.6	Confident	96 Å²	96	70 Å²	70	42%	0.421	33%	0.326	S	S	.	.			trans	-103.1	72.8	171.1	-97.1	-95.1	0	0	0	111.9	F651 I740 P741 E742 E746 T747	F651-F744 HydrophobicContact CZ-CD2 4.27Å; I740-F744 HydrophobicContact CG2-CB 4.26Å; P741-F744 PolarHBondContact O-N 3Å; E742-F744 PolarHBondContact O-N 3.03Å; F744-E746 PolarHBondContact O-N 3.42Å; F744-T747 PolarHBondContact O-N 3.2Å; F744-T747 PolarHBondContact O-OG1 2.68Å; F744-T747 VanDerWaalsContact O-OG1 3.09Å
745	N	74.8	Confident	82.8	Confident	84 Å²	84	74.3 Å²	74.3	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-50.7	-16.1	174.3	-77.2	-41.9	0	0	0	114.7	E742 T747 K748 Y749	E742-N745 PolarHBondContact O-N 2.86Å; E742-N745 PolarHBondContact O-OD1 2.81Å; N745-T747 PolarHBondContact O-N 3.09Å; N745-K748 WeakPolarHBondContact O-CB 3.49Å; N745-K748 PolarHBondContact O-N 2.82Å; N745-Y749 HydrophobicContact CB-CE2 3.84Å; N745-Y749 WeakPolarHBondContact O-CD2 3.25Å; N745-Y749 WeakPolarHBondContact O-CE2 3.35Å; N745-Y749 PolarHBondContact O-N 2.9Å
746	E	82.3	Confident	83	Confident	18 Å²	18	70.8 Å²	70.8	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-36.7	177	-174.9	154.3	-124.5	0	0	114.2	K643 F744 K748 Y749 I750 K809	K643-E746 WeakPolarHBondContact CE-OE1 3.43Å; K643-E746 IonicContact NZ-OE1 3.69Å; K643-E746 PolarHBondContact NZ-OE1 3.2Å; F744-E746 PolarHBondContact O-N 3.42Å; E746-K748 VanDerWaalsContact C-N 3.32Å; E746-K748 PolarHBondContact O-N 2.79Å; E746-Y749 PolarHBondContact O-N 2.96Å; E746-I750 HydrophobicContact CG-CD1 4.25Å; E746-I750 WeakPolarHBondContact O-CG1 3.46Å; E746-I750 PolarHBondContact O-N 3.48Å; E746-I750 VanDerWaalsContact O-N 3.08Å; E746-K809 IonicContact OE1-NZ 2.7Å; E746-K809 PolarHBondContact OE1-NZ 3.47Å
747	T	86.3	Confident	83.2	Confident	13 Å²	13	64.7 Å²	64.7	8%	0.08	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-38.1	177.9	52.6	0	0	0	0	111.5	L647 I740 F744 N745 I750 G751	L647-T747 HydrophobicContact CD1-CG2 4Å; I740-T747 HydrophobicContact CB-CG2 4.05Å; I740-T747 HydrophobicContact CD1-CG2 3.83Å; I740-T747 HydrophobicContact CG2-CG2 4.1Å; F744-T747 PolarHBondContact O-N 3.2Å; F744-T747 PolarHBondContact O-OG1 2.68Å; F744-T747 VanDerWaalsContact O-OG1 3.09Å; N745-T747 PolarHBondContact O-N 3.09Å; T747-I750 PolarHBondContact O-N 3.44Å; T747-G751 PolarHBondContact O-N 3.14Å
748	K	87.9	Confident	83.6	Confident	118 Å²	118	66.1 Å²	66.1	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-45.4	175.3	-171	-177.2	-173.6	179	0	111.6	N745 E746 I750 G751 F752	N745-K748 WeakPolarHBondContact O-CB 3.49Å; N745-K748 PolarHBondContact O-N 2.82Å; E746-K748 VanDerWaalsContact C-N 3.32Å; E746-K748 PolarHBondContact O-N 2.79Å; K748-I750 PolarHBondContact O-N 3.03Å; K748-G751 PolarHBondContact O-N 2.95Å; K748-F752 HydrophobicContact CD-CE2 3.88Å; K748-F752 HydrophobicContact CD-CZ 4.29Å; K748-F752 VanDerWaalsContact CE-CE2 3.43Å; K748-F752 VanDerWaalsContact CE-CZ 3.48Å; K748-F752 HydrophobicContact CG-CD2 3.99Å; K748-F752 HydrophobicContact CG-CE2 3.49Å; K748-F752 VanDerWaalsContact CG-CE2 3.49Å; K748-F752 HydrophobicContact CG-CZ 3.95Å; K748-F752 WeakPolarHBondContact O-CD2 3.26Å; K748-F752 WeakPolarHBondContact O-CG 3.23Å; K748-F752 PolarHBondContact O-N 3.25Å
749	Y	90.5	Very high	84	Confident	44 Å²	44	64.7 Å²	64.7	17%	0.173	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-39.8	177.7	-57.4	-41.8	0	0	0	112.4	N745 E746 F752 T753 P808	N745-Y749 HydrophobicContact CB-CE2 3.84Å; N745-Y749 WeakPolarHBondContact O-CD2 3.25Å; N745-Y749 WeakPolarHBondContact O-CE2 3.35Å; N745-Y749 PolarHBondContact O-N 2.9Å; E746-Y749 PolarHBondContact O-N 2.96Å; Y749-F752 PolarHBondContact O-N 2.77Å; Y749-T753 WeakPolarHBondContact O-CB 3.24Å; Y749-T753 PolarHBondContact O-N 2.93Å; Y749-T753 PolarHBondContact O-OG1 3.23Å; Y749-P808 HydrophobicContact CD1-CB 4.2Å; Y749-P808 HydrophobicContact CD1-CG 3.86Å; Y749-P808 HydrophobicContact CE1-CB 3.61Å; Y749-P808 HydrophobicContact CE1-CG 3.67Å; Y749-P808 HydrophobicContact CE2-CB 4.01Å; Y749-P808 HydrophobicContact CG-CG 4.46Å
750	I	91.2	Very high	84.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-47.3	173.6	-66.7	165.2	0	0	0	110.5	I640 K643 T644 L647 A734 E746 T747 K748 F752 T753 M754 F805	I640-I750 HydrophobicContact CG2-CG2 3.84Å; K643-I750 HydrophobicContact CG-CD1 4.39Å; T644-I750 HydrophobicContact CG2-CD1 4.1Å; T644-I750 HydrophobicContact CG2-CG2 3.45Å; T644-I750 VanDerWaalsContact CG2-CG2 3.45Å; L647-I750 HydrophobicContact CD1-CD1 3.77Å; A734-I750 HydrophobicContact CB-CG2 4.24Å; E746-I750 HydrophobicContact CG-CD1 4.25Å; E746-I750 WeakPolarHBondContact O-CG1 3.46Å; E746-I750 PolarHBondContact O-N 3.48Å; E746-I750 VanDerWaalsContact O-N 3.08Å; T747-I750 PolarHBondContact O-N 3.44Å; K748-I750 PolarHBondContact O-N 3.03Å; I750-F752 PolarHBondContact O-N 2.88Å; I750-T753 WeakPolarHBondContact O-CB 3.35Å; I750-T753 PolarHBondContact O-N 3.46Å; I750-M754 HydrophobicContact CG2-CG 4.27Å; I750-M754 WeakPolarHBondContact O-CG 3.48Å; I750-M754 PolarHBondContact O-N 3.29Å; I750-F805 HydrophobicContact CD1-CE2 4.37Å; I750-F805 HydrophobicContact CG1-CD2 4.08Å; I750-F805 HydrophobicContact CG1-CE2 3.65Å
751	G	90.9	Very high	85.1	Confident	6 Å²	6	57.4 Å²	57.4	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-53.9	-52.4	176.2	0	0	0	0	0	112.1	T747 K748 T753 M754 Y755	T747-G751 PolarHBondContact O-N 3.14Å; K748-G751 PolarHBondContact O-N 2.95Å; G751-T753 VanDerWaalsContact C-N 3.33Å; G751-T753 PolarHBondContact O-N 3.09Å; G751-M754 PolarHBondContact O-N 2.9Å; G751-Y755 WeakPolarHBondContact O-CD2 3.38Å; G751-Y755 PolarHBondContact O-N 3.19Å
752	F	91.9	Very high	86.1	Confident	104 Å²	104	59.8 Å²	59.8	46%	0.456	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-41.6	177.2	-69.4	-39.7	0	0	0	113.3	K748 Y749 I750 M754 Y755 A756 C804	K748-F752 HydrophobicContact CD-CE2 3.88Å; K748-F752 HydrophobicContact CD-CZ 4.29Å; K748-F752 VanDerWaalsContact CE-CE2 3.43Å; K748-F752 VanDerWaalsContact CE-CZ 3.48Å; K748-F752 HydrophobicContact CG-CD2 3.99Å; K748-F752 HydrophobicContact CG-CE2 3.49Å; K748-F752 VanDerWaalsContact CG-CE2 3.49Å; K748-F752 HydrophobicContact CG-CZ 3.95Å; K748-F752 WeakPolarHBondContact O-CD2 3.26Å; K748-F752 WeakPolarHBondContact O-CG 3.23Å; K748-F752 PolarHBondContact O-N 3.25Å; Y749-F752 PolarHBondContact O-N 2.77Å; I750-F752 PolarHBondContact O-N 2.88Å; F752-M754 VanDerWaalsContact C-N 3.34Å; F752-M754 PolarHBondContact O-N 3.31Å; F752-Y755 PolarHBondContact O-N 3.37Å; F752-A756 VanDerWaalsContact O-CB 3.26Å; F752-A756 WeakPolarHBondContact O-CB 3.35Å; F752-A756 PolarHBondContact O-N 3.42Å; F752-C804 HydrophobicContact CB-CB 4.46Å
753	T	93.8	Very high	87.7	Confident	1 Å²	1	54 Å²	54	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-45.2	177	-54.9	0	0	0	0	110.7	I640 Y749 I750 G751 T757 V800 A801 C804	I640-T753 HydrophobicContact CD1-CG2 3.99Å; Y749-T753 WeakPolarHBondContact O-CB 3.24Å; Y749-T753 PolarHBondContact O-N 2.93Å; Y749-T753 PolarHBondContact O-OG1 3.23Å; I750-T753 WeakPolarHBondContact O-CB 3.35Å; I750-T753 PolarHBondContact O-N 3.46Å; G751-T753 VanDerWaalsContact C-N 3.33Å; G751-T753 PolarHBondContact O-N 3.09Å; T753-T757 VanDerWaalsContact O-CB 3.3Å; T753-T757 WeakPolarHBondContact O-CB 3.32Å; T753-T757 PolarHBondContact O-N 3.48Å; T753-T757 PolarHBondContact O-OG1 3.26Å; T753-V800 HydrophobicContact CG2-CG1 4.21Å; T753-V800 WeakPolarHBondContact O-CG1 3.28Å; T753-A801 HydrophobicContact CG2-CB 4.34Å; T753-C804 VanDerWaalsContact OG1-CB 3.31Å; T753-C804 WeakPolarHBondContact OG1-CB 3.49Å
754	M	93.8	Very high	89	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-43.9	179.4	-65.7	-47	-49.6	0	0	112.5	I640 I727 C730 A734 I750 G751 F752 T757 C758	I640-M754 HydrophobicContact CD1-SD 4.31Å; I640-M754 HydrophobicContact CG2-CG 4.45Å; I640-M754 HydrophobicContact CG2-SD 3.8Å; I727-M754 HydrophobicContact CB-CE 4.35Å; I727-M754 HydrophobicContact CG2-CE 3.94Å; C730-M754 HydrophobicContact CB-CE 3.26Å; C730-M754 HydrophobicContact CB-CG 4.2Å; C730-M754 HydrophobicContact CB-SD 3.58Å; C730-M754 VanDerWaalsContact CB-SD 3.58Å; A734-M754 HydrophobicContact CB-CB 4.37Å; A734-M754 HydrophobicContact CB-CG 4.1Å; I750-M754 HydrophobicContact CG2-CG 4.27Å; I750-M754 WeakPolarHBondContact O-CG 3.48Å; I750-M754 PolarHBondContact O-N 3.29Å; G751-M754 PolarHBondContact O-N 2.9Å; F752-M754 VanDerWaalsContact C-N 3.34Å; F752-M754 PolarHBondContact O-N 3.31Å; M754-T757 WeakPolarHBondContact O-CB 3.48Å; M754-T757 PolarHBondContact O-N 3.44Å; M754-C758 PolarHBondContact O-N 2.84Å; M754-C758 PolarHBondContact O-SG 2.95Å; M754-C758 VanDerWaalsContact O-SG 3.32Å
755	Y	93.6	Very high	89.9	Confident	93 Å²	93	46.5 Å²	46.5	37%	0.365	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-44.5	178.1	-60.4	-40	0	0	0	112.3	T731 G751 F752 T757 C758 I759	T731-Y755 HydrophobicContact CG2-CD1 4.29Å; T731-Y755 HydrophobicContact CG2-CE1 4.13Å; G751-Y755 WeakPolarHBondContact O-CD2 3.38Å; G751-Y755 PolarHBondContact O-N 3.19Å; F752-Y755 PolarHBondContact O-N 3.37Å; Y755-T757 VanDerWaalsContact C-N 3.3Å; Y755-T757 PolarHBondContact O-N 3.06Å; Y755-C758 PolarHBondContact O-N 3.49Å; Y755-I759 WeakPolarHBondContact O-CG1 3.38Å; Y755-I759 PolarHBondContact O-N 2.81Å; Y755-I759 VanDerWaalsContact O-N 3.15Å
756	A	94.4	Very high	90.6	Very high	28 Å²	28	46.5 Å²	46.5	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-38.6	175.4	0	0	0	0	0	111.5	F752 I759 V760 V800	F752-A756 VanDerWaalsContact O-CB 3.26Å; F752-A756 WeakPolarHBondContact O-CB 3.35Å; F752-A756 PolarHBondContact O-N 3.42Å; A756-I759 PolarHBondContact O-N 3.4Å; A756-V760 WeakPolarHBondContact O-CG2 3.38Å; A756-V760 PolarHBondContact O-N 3.46Å; A756-V800 HydrophobicContact CB-CG1 3.53Å; A756-V800 HydrophobicContact CB-CG2 4.23Å
757	T	93.3	Very high	90.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-46.9	174.1	-62.4	0	0	0	0	111.5	Y637 I727 T753 M754 Y755 I759 V760 W761	Y637-T757 HydrophobicContact CE1-CG2 3.62Å; Y637-T757 WeakPolarHBondContact OH-CG2 3.5Å; I727-T757 HydrophobicContact CD1-CG2 3.98Å; I727-T757 HydrophobicContact CG1-CG2 4.16Å; I727-T757 HydrophobicContact CG2-CG2 4.21Å; T753-T757 VanDerWaalsContact O-CB 3.3Å; T753-T757 WeakPolarHBondContact O-CB 3.32Å; T753-T757 PolarHBondContact O-N 3.48Å; T753-T757 PolarHBondContact O-OG1 3.26Å; M754-T757 WeakPolarHBondContact O-CB 3.48Å; M754-T757 PolarHBondContact O-N 3.44Å; Y755-T757 VanDerWaalsContact C-N 3.3Å; Y755-T757 PolarHBondContact O-N 3.06Å; T757-I759 VanDerWaalsContact C-N 3.28Å; T757-I759 PolarHBondContact O-N 3.21Å; T757-V760 PolarHBondContact O-N 3.36Å; T757-W761 VanDerWaalsContact O-CD1 3.31Å; T757-W761 PolarHBondContact O-N 2.75Å
758	C	93.3	Very high	90.8	Very high	34 Å²	34	49.6 Å²	49.6	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-41.8	177.3	-69.3	0	0	0	0	112	T731 M754 Y755 W761 L762	T731-C758 PolarHBondContact OG1-SG 3.38Å; T731-C758 VanDerWaalsContact OG1-SG 3.39Å; M754-C758 PolarHBondContact O-N 2.84Å; M754-C758 PolarHBondContact O-SG 2.95Å; M754-C758 VanDerWaalsContact O-SG 3.32Å; Y755-C758 PolarHBondContact O-N 3.49Å; C758-W761 PolarHBondContact O-N 3.38Å; C758-L762 WeakPolarHBondContact O-CB 3.46Å; C758-L762 VanDerWaalsContact O-CG 3.25Å; C758-L762 WeakPolarHBondContact O-CG 3.23Å; C758-L762 PolarHBondContact O-N 3.16Å
759	I	93.8	Very high	90.6	Very high	118 Å²	118	48.9 Å²	48.9	61%	0.605	26%	0.256	S	S	*	.	H	α-helix	trans	-62.8	-44.4	177.5	-66	167.7	0	0	0	111	Y755 A756 T757 W761 L762 A763	Y755-I759 WeakPolarHBondContact O-CG1 3.38Å; Y755-I759 PolarHBondContact O-N 2.81Å; Y755-I759 VanDerWaalsContact O-N 3.15Å; A756-I759 PolarHBondContact O-N 3.4Å; T757-I759 VanDerWaalsContact C-N 3.28Å; T757-I759 PolarHBondContact O-N 3.21Å; I759-W761 VanDerWaalsContact C-N 3.34Å; I759-W761 PolarHBondContact O-N 2.99Å; I759-L762 PolarHBondContact O-N 3.34Å; I759-A763 WeakPolarHBondContact O-CB 3.06Å; I759-A763 PolarHBondContact O-N 3.08Å
760	V	92.3	Very high	90.1	Very high	26 Å²	26	47.8 Å²	47.8	16%	0.158	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-46.1	177	172.1	0	0	0	0	111	A756 T757 A763 F764 L796 V800	A756-V760 WeakPolarHBondContact O-CG2 3.38Å; A756-V760 PolarHBondContact O-N 3.46Å; T757-V760 PolarHBondContact O-N 3.36Å; V760-A763 PolarHBondContact O-N 3.46Å; V760-F764 WeakPolarHBondContact O-CB 3.37Å; V760-F764 PolarHBondContact O-N 3.3Å; V760-L796 HydrophobicContact CG1-CB 4.07Å; V760-L796 HydrophobicContact CG1-CD1 4.48Å; V760-L796 HydrophobicContact CG2-CB 4.44Å; V760-V800 HydrophobicContact CG2-CG2 4.07Å
761	W	88.8	Confident	89.2	Confident	18 Å²	18	48.1 Å²	48.1	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-39	179.7	-81.1	95.4	0	0	0	113.5	M720 I727 T757 C758 I759 A763 F764 I765	M720-W761 HydrophobicContact CB-CH2 3.98Å; M720-W761 HydrophobicContact CB-CZ3 4.1Å; M720-W761 HydrophobicContact CG-CH2 3.56Å; M720-W761 HydrophobicContact CG-CZ3 4Å; M720-W761 HydrophobicContact SD-CH2 3.58Å; M720-W761 VanDerWaalsContact SD-CH2 3.58Å; M720-W761 HydrophobicContact SD-CZ2 4.17Å; I727-W761 HydrophobicContact CD1-CD2 4.44Å; I727-W761 HydrophobicContact CD1-CG 4.23Å; T757-W761 VanDerWaalsContact O-CD1 3.31Å; T757-W761 PolarHBondContact O-N 2.75Å; C758-W761 PolarHBondContact O-N 3.38Å; I759-W761 VanDerWaalsContact C-N 3.34Å; I759-W761 PolarHBondContact O-N 2.99Å; W761-A763 VanDerWaalsContact C-N 3.29Å; W761-A763 PolarHBondContact O-N 2.79Å; W761-F764 AromaticContact CE3-CD1 3.93Å; W761-F764 HydrophobicContact CE3-CD1 3.93Å; W761-F764 AromaticContact CZ3-CD1 3.82Å; W761-F764 HydrophobicContact CZ3-CD1 3.82Å; W761-F764 AromaticContact CZ3-CE1 3.97Å; W761-F764 HydrophobicContact CZ3-CE1 3.97Å; W761-F764 PolarHBondContact O-N 3.17Å; W761-I765 WeakPolarHBondContact O-CG1 3.3Å; W761-I765 PolarHBondContact O-N 3.25Å
762	L	90	Very high	88	Confident	127 Å²	127	54.3 Å²	54.3	67%	0.665	29%	0.287	S	S	*	.	H	α-helix	trans	-64	-34.3	175.5	-74.7	172.7	0	0	0	112.2	C758 I759 P766	C758-L762 WeakPolarHBondContact O-CB 3.46Å; C758-L762 VanDerWaalsContact O-CG 3.25Å; C758-L762 WeakPolarHBondContact O-CG 3.23Å; C758-L762 PolarHBondContact O-N 3.16Å; I759-L762 PolarHBondContact O-N 3.34Å; L762-P766 WeakPolarHBondContact O-CD 3.46Å
763	A	90.8	Very high	86.8	Confident	51 Å²	51	54 Å²	54	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-76.1	-38.1	174.4	0	0	0	0	0	112.4	I759 V760 W761 P766 I767	I759-A763 WeakPolarHBondContact O-CB 3.06Å; I759-A763 PolarHBondContact O-N 3.08Å; V760-A763 PolarHBondContact O-N 3.46Å; W761-A763 VanDerWaalsContact C-N 3.29Å; W761-A763 PolarHBondContact O-N 2.79Å; A763-P766 WeakPolarHBondContact O-CD 3.46Å; A763-I767 VanDerWaalsContact O-CD1 3.28Å; A763-I767 WeakPolarHBondContact O-CD1 3.27Å; A763-I767 VanDerWaalsContact O-CG1 3.24Å; A763-I767 WeakPolarHBondContact O-CG1 3.27Å
764	F	89.4	Confident	85.2	Confident	20 Å²	20	60.4 Å²	60.4	9%	0.088	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-44.3	-177.2	168.8	-108.4	0	0	0	113.3	V760 W761 I767 Y768 L790 C793	V760-F764 WeakPolarHBondContact O-CB 3.37Å; V760-F764 PolarHBondContact O-N 3.3Å; W761-F764 AromaticContact CE3-CD1 3.93Å; W761-F764 HydrophobicContact CE3-CD1 3.93Å; W761-F764 AromaticContact CZ3-CD1 3.82Å; W761-F764 HydrophobicContact CZ3-CD1 3.82Å; W761-F764 AromaticContact CZ3-CE1 3.97Å; W761-F764 HydrophobicContact CZ3-CE1 3.97Å; W761-F764 PolarHBondContact O-N 3.17Å; F764-I767 PolarHBondContact O-N 3.3Å; F764-Y768 AromaticContact CE2-CD2 3.88Å; F764-Y768 HydrophobicContact CE2-CD2 3.88Å; F764-Y768 HydrophobicContact CE2-CG 4.15Å; F764-Y768 AromaticContact CZ-CD2 3.68Å; F764-Y768 HydrophobicContact CZ-CD2 3.68Å; F764-Y768 HydrophobicContact CZ-CE2 4.45Å; F764-Y768 AromaticContact CZ-CG 3.83Å; F764-Y768 HydrophobicContact CZ-CG 3.83Å; F764-Y768 WeakPolarHBondContact O-CB 3.37Å; F764-Y768 PolarHBondContact O-N 3.18Å; F764-L790 HydrophobicContact CE2-CB 4.38Å; F764-L790 HydrophobicContact CE2-CD1 4.39Å; F764-L790 HydrophobicContact CZ-CD1 3.93Å; F764-C793 HydrophobicContact CB-CB 4.28Å; F764-C793 HydrophobicContact CD2-CB 3.5Å; F764-C793 VanDerWaalsContact CD2-CB 3.5Å; F764-C793 HydrophobicContact CE2-CB 3.98Å; F764-C793 HydrophobicContact CG-CB 3.9Å; F764-C793 WeakPolarHBondContact CG-SG 3.4Å
765	I	85.9	Confident	83.8	Confident	71 Å²	71	61.4 Å²	61.4	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-51.3	-173.3	-68	166	0	0	0	111.7	W761 I767 Y768 F769	W761-I765 WeakPolarHBondContact O-CG1 3.3Å; W761-I765 PolarHBondContact O-N 3.25Å; I765-I767 PolarHBondContact O-N 2.87Å; I765-Y768 PolarHBondContact O-N 2.93Å; I765-F769 HydrophobicContact CG2-CD2 4.07Å; I765-F769 HydrophobicContact CG2-CE2 4.32Å; I765-F769 WeakPolarHBondContact O-CD2 3.32Å; I765-F769 PolarHBondContact O-N 3.48Å
766	P	87.7	Confident	82.3	Confident	84 Å²	84	62.4 Å²	62.4	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-37.1	176	-23	34.2	0	0	0	113.6	L762 A763 G770	L762-P766 WeakPolarHBondContact O-CD 3.46Å; A763-P766 WeakPolarHBondContact O-CD 3.46Å; P766-G770 VanDerWaalsContact O-CA 3.28Å; P766-G770 WeakPolarHBondContact O-CA 3.46Å; P766-G770 PolarHBondContact O-N 2.83Å
767	I	87.6	Confident	81.2	Confident	89 Å²	89	68.7 Å²	68.7	46%	0.456	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-44.3	179.7	-66.6	168.8	0	0	0	110.7	A763 F764 I765 A771 I785	A763-I767 VanDerWaalsContact O-CD1 3.28Å; A763-I767 WeakPolarHBondContact O-CD1 3.27Å; A763-I767 VanDerWaalsContact O-CG1 3.24Å; A763-I767 WeakPolarHBondContact O-CG1 3.27Å; F764-I767 PolarHBondContact O-N 3.3Å; I765-I767 PolarHBondContact O-N 2.87Å; I767-A771 WeakPolarHBondContact O-CB 3.36Å; I767-A771 PolarHBondContact O-N 3.14Å; I767-I785 HydrophobicContact CG2-CG2 4.44Å
768	Y	86.1	Confident	80.4	Confident	7 Å²	7	76.9 Å²	76.9	3%	0.027	41%	0.405	C	S	.	.	H	α-helix	trans	-66.8	-44.9	-177.2	-177.4	-93.1	0	0	0	112.4	A713 P717 F764 I765 Q786	A713-Y768 WeakPolarHBondContact CA-OH 3.36Å; A713-Y768 PolarHBondContact O-OH 2.99Å; P717-Y768 HydrophobicContact CG-CD1 4.29Å; P717-Y768 HydrophobicContact CG-CE1 3.72Å; F764-Y768 AromaticContact CE2-CD2 3.88Å; F764-Y768 HydrophobicContact CE2-CD2 3.88Å; F764-Y768 HydrophobicContact CE2-CG 4.15Å; F764-Y768 AromaticContact CZ-CD2 3.68Å; F764-Y768 HydrophobicContact CZ-CD2 3.68Å; F764-Y768 HydrophobicContact CZ-CE2 4.45Å; F764-Y768 AromaticContact CZ-CG 3.83Å; F764-Y768 HydrophobicContact CZ-CG 3.83Å; F764-Y768 WeakPolarHBondContact O-CB 3.37Å; F764-Y768 PolarHBondContact O-N 3.18Å; I765-Y768 PolarHBondContact O-N 2.93Å; Y768-Q786 HydrophobicContact CD2-CB 4.31Å; Y768-Q786 HydrophobicContact CD2-CG 4.39Å; Y768-Q786 HydrophobicContact CE2-CB 4.09Å; Y768-Q786 HydrophobicContact CE2-CG 4.37Å; Y768-Q786 PolarHBondContact O-NE2 3.03Å
769	F	83.6	Confident	79.6	Confident	103 Å²	103	76 Å²	76	45%	0.452	40%	0.399	S	S	.	.	H	α-helix	trans	-83	-32.4	179	-72	-69.9	0	0	0	113.4	P717 I765 A771 F772	P717-F769 HydrophobicContact CB-CE2 4.47Å; P717-F769 HydrophobicContact CB-CZ 3.9Å; P717-F769 HydrophobicContact CG-CE1 4.2Å; P717-F769 HydrophobicContact CG-CE2 4.19Å; P717-F769 HydrophobicContact CG-CZ 3.5Å; I765-F769 HydrophobicContact CG2-CD2 4.07Å; I765-F769 HydrophobicContact CG2-CE2 4.32Å; I765-F769 WeakPolarHBondContact O-CD2 3.32Å; I765-F769 PolarHBondContact O-N 3.48Å; F769-A771 VanDerWaalsContact C-N 3.31Å; F769-A771 PolarHBondContact O-N 3.12Å; F769-F772 WeakPolarHBondContact O-CB 3.44Å; F769-F772 PolarHBondContact O-N 3.38Å
770	G	79.3	Confident	79.1	Confident	22 Å²	22	71.6 Å²	71.6	23%	0.227	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-38	176.5	0	0	0	0	0	112.1	P766 F772 V773 D774	P766-G770 VanDerWaalsContact O-CA 3.28Å; P766-G770 WeakPolarHBondContact O-CA 3.46Å; P766-G770 PolarHBondContact O-N 2.83Å; G770-F772 PolarHBondContact O-N 3.21Å; G770-V773 PolarHBondContact O-N 3.46Å; G770-D774 PolarHBondContact O-N 3.06Å
771	A	73.7	Confident	78.8	Confident	7 Å²	7	74.7 Å²	74.7	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-57.4	-23.3	171.6	0	0	0	0	0	113.5	I767 F769 C775 A782 I785 Q786	I767-A771 WeakPolarHBondContact O-CB 3.36Å; I767-A771 PolarHBondContact O-N 3.14Å; F769-A771 VanDerWaalsContact C-N 3.31Å; F769-A771 PolarHBondContact O-N 3.12Å; A771-C775 WeakPolarHBondContact O-CB 3.43Å; A771-A782 WeakPolarHBondContact O-CB 3.23Å; A771-I785 HydrophobicContact CB-CB 4.16Å; A771-I785 HydrophobicContact CB-CG2 3.67Å; A771-Q786 HydrophobicContact CB-CG 4.04Å
772	F	65.3	Low	78.6	Confident	137 Å²	137	74.3 Å²	74.3	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-79.4	-32.1	175.8	-167.4	-97.1	0	0	0	112.8	F769 G770	F769-F772 WeakPolarHBondContact O-CB 3.44Å; F769-F772 PolarHBondContact O-N 3.38Å; G770-F772 PolarHBondContact O-N 3.21Å
773	V	65.5	Low	78.4	Confident	97 Å²	97	69.8 Å²	69.8	59%	0.588	36%	0.364	S	S	*	.	H	α-helix	trans	-91.2	-42.8	-173.4	-178.1	0	0	0	0	111.5	G770 V776	G770-V773 PolarHBondContact O-N 3.46Å; V773-V776 WeakPolarHBondContact O-CG2 3.24Å
774	D	61	Low	78.3	Confident	135 Å²	135	68.9 Å²	68.9	72%	0.722	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.4	-170.4	-60.4	-35.5	0	0	0	112.7	G770	G770-D774 PolarHBondContact O-N 3.06Å
775	C	64.8	Low	78.2	Confident	21 Å²	21	69.8 Å²	69.8	14%	0.142	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	32.6	-175.5	-62.4	0	0	0	0	112.9	A771 E777 W778 A782	A771-C775 WeakPolarHBondContact O-CB 3.43Å; C775-E777 PolarHBondContact O-N 3.27Å; C775-W778 CarbonylContact O-C 3.6Å; C775-W778 VanDerWaalsContact O-C 3.3Å; C775-W778 PolarHBondContact O-N 2.76Å; C775-A782 HydrophobicContact CB-CB 3.67Å
776	V	62.8	Low	78.3	Confident	115 Å²	115	67.6 Å²	67.6	70%	0.697	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-36	176.3	172.9	0	0	0	0	111.2	V773	V773-V776 WeakPolarHBondContact O-CG2 3.24Å
777	E	69.8	Low	78.4	Confident	160 Å²	160	64.4 Å²	64.4	75%	0.748	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.5	-179.6	-154.8	169.5	-157.5	0	0	113.1	C775 P779	C775-E777 PolarHBondContact O-N 3.27Å; E777-P779 WeakPolarHBondContact O-CD 3.33Å
778	W	76.9	Confident	78.5	Confident	172 Å²	172	60.8 Å²	60.8	65%	0.652	31%	0.305	S	S	*	.			trans	-124.9	70	-174.5	-61	102.7	0	0	0	111.8	C775 M780 F781 A782	C775-W778 CarbonylContact O-C 3.6Å; C775-W778 VanDerWaalsContact O-C 3.3Å; C775-W778 PolarHBondContact O-N 2.76Å; W778-M780 VanDerWaalsContact C-N 3.32Å; W778-M780 PolarHBondContact O-N 3.01Å; W778-F781 HydrophobicContact CB-CB 3.86Å; W778-F781 WeakPolarHBondContact O-CB 3.36Å; W778-F781 PolarHBondContact O-N 3.48Å; W778-F781 VanDerWaalsContact O-N 3.09Å; W778-A782 PolarHBondContact O-N 2.9Å
779	P	77.4	Confident	78.7	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.104	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-28.5	-169.7	29.3	-39.1	0	0	0	113.8	P700 T701 I704 E777 F783	P700-P779 HydrophobicContact CB-CB 3.44Å; P700-P779 VanDerWaalsContact CB-CB 3.44Å; P700-P779 HydrophobicContact CB-CG 4Å; P700-P779 HydrophobicContact CG-CB 3.5Å; P700-P779 HydrophobicContact CG-CG 3.8Å; T701-P779 HydrophobicContact CG2-CG 3.95Å; I704-P779 HydrophobicContact CD1-CG 3.61Å; E777-P779 WeakPolarHBondContact O-CD 3.33Å; P779-F783 WeakPolarHBondContact O-CB 3.49Å; P779-F783 PolarHBondContact O-N 2.86Å
780	M	82.6	Confident	79	Confident	25 Å²	25	56.6 Å²	56.6	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-41.6	173.2	179.1	52	60.9	0	0	111.1	Q549 I704 I706 W778 F783 Q784	Q549-M780 HydrophobicContact CB-CE 3.52Å; Q549-M780 HydrophobicContact CG-CE 4.44Å; I704-M780 HydrophobicContact CG2-CE 4.3Å; I706-M780 HydrophobicContact CB-CE 4.42Å; I706-M780 HydrophobicContact CD1-CE 3.71Å; I706-M780 HydrophobicContact CG1-CE 3.61Å; I706-M780 HydrophobicContact CG2-CE 4.29Å; W778-M780 VanDerWaalsContact C-N 3.32Å; W778-M780 PolarHBondContact O-N 3.01Å; M780-F783 PolarHBondContact O-N 3.22Å; M780-F783 HydrophobicContact SD-CD1 4.16Å; M780-Q784 WeakPolarHBondContact O-CB 3.45Å; M780-Q784 VanDerWaalsContact O-CG 3.25Å; M780-Q784 WeakPolarHBondContact O-CG 3.45Å; M780-Q784 PolarHBondContact O-N 3.36Å; M780-Q784 HydrophobicContact SD-CG 4.19Å
781	F	85.1	Confident	79.7	Confident	92 Å²	92	55.5 Å²	55.5	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-41.4	176.6	-174.1	-104.8	0	0	0	110.8	W557 W778 F783 Q784 I785	W557-F781 AromaticContact CH2-CD2 3.95Å; W557-F781 HydrophobicContact CH2-CD2 3.95Å; W557-F781 AromaticContact CH2-CE2 3.47Å; W557-F781 HydrophobicContact CH2-CE2 3.47Å; W557-F781 VanDerWaalsContact CH2-CE2 3.47Å; W557-F781 HydrophobicContact CH2-CZ 4.08Å; W557-F781 AromaticContact CZ2-CD2 3.59Å; W557-F781 HydrophobicContact CZ2-CD2 3.59Å; W557-F781 AromaticContact CZ2-CE2 3.37Å; W557-F781 HydrophobicContact CZ2-CE2 3.37Å; W557-F781 HydrophobicContact CZ2-CZ 4.39Å; W778-F781 HydrophobicContact CB-CB 3.86Å; W778-F781 WeakPolarHBondContact O-CB 3.36Å; W778-F781 PolarHBondContact O-N 3.48Å; W778-F781 VanDerWaalsContact O-N 3.09Å; F781-F783 PolarHBondContact O-N 3.1Å; F781-Q784 PolarHBondContact O-N 3.07Å; F781-I785 HydrophobicContact CD1-CD1 3.58Å; F781-I785 HydrophobicContact CD1-CG1 4.38Å; F781-I785 HydrophobicContact CE1-CD1 3.18Å; F781-I785 HydrophobicContact CE1-CG1 4.2Å; F781-I785 HydrophobicContact CE2-CD1 4.46Å; F781-I785 HydrophobicContact CG-CD1 4.37Å; F781-I785 HydrophobicContact CZ-CD1 3.68Å; F781-I785 HydrophobicContact CZ-CG1 4.4Å; F781-I785 WeakPolarHBondContact O-CG1 3.39Å; F781-I785 PolarHBondContact O-N 3.17Å
782	A	85	Confident	80.6	Confident	10 Å²	10	57.9 Å²	57.9	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-55.1	-50	171.5	0	0	0	0	0	112	A771 C775 W778 Q784 I785 Q786	A771-A782 WeakPolarHBondContact O-CB 3.23Å; C775-A782 HydrophobicContact CB-CB 3.67Å; W778-A782 PolarHBondContact O-N 2.9Å; A782-Q784 PolarHBondContact O-N 2.9Å; A782-I785 PolarHBondContact O-N 2.94Å; A782-Q786 WeakPolarHBondContact O-CB 3.44Å; A782-Q786 WeakPolarHBondContact O-CG 3.17Å; A782-Q786 PolarHBondContact O-N 3.3Å
783	F	86	Confident	81.9	Confident	32 Å²	32	51.6 Å²	51.6	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-41.4	177.8	175.6	-103.6	0	0	0	112.6	I551 I706 P779 M780 F781 Q786 T787	I551-F783 HydrophobicContact CD1-CE1 4.36Å; I551-F783 HydrophobicContact CG1-CE1 4.03Å; I706-F783 HydrophobicContact CD1-CB 4.05Å; I706-F783 HydrophobicContact CD1-CG 4.38Å; I706-F783 HydrophobicContact CG2-CD1 3.81Å; I706-F783 HydrophobicContact CG2-CD2 4.03Å; I706-F783 HydrophobicContact CG2-CE1 3.86Å; I706-F783 HydrophobicContact CG2-CE2 4.08Å; I706-F783 HydrophobicContact CG2-CG 3.89Å; I706-F783 HydrophobicContact CG2-CZ 4Å; P779-F783 WeakPolarHBondContact O-CB 3.49Å; P779-F783 PolarHBondContact O-N 2.86Å; M780-F783 PolarHBondContact O-N 3.22Å; M780-F783 HydrophobicContact SD-CD1 4.16Å; F781-F783 PolarHBondContact O-N 3.1Å; F783-Q786 PolarHBondContact O-N 2.83Å; F783-T787 WeakPolarHBondContact O-CB 3.39Å; F783-T787 PolarHBondContact O-N 2.99Å; F783-T787 PolarHBondContact O-OG1 2.91Å
784	Q	89.3	Confident	83.1	Confident	31 Å²	31	47.3 Å²	47.3	15%	0.145	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-45.7	175.7	-74.4	168.5	-15.2	0	0	111.5	I551 W557 M780 F781 A782 T788	I551-Q784 HydrophobicContact CG1-CG 4.44Å; W557-Q784 VanDerWaalsContact CD1-CD 3.5Å; W557-Q784 HydrophobicContact CD2-CB 3.77Å; W557-Q784 HydrophobicContact CD2-CG 4.33Å; W557-Q784 HydrophobicContact CE3-CB 4.04Å; W557-Q784 HydrophobicContact CG-CB 4.04Å; W557-Q784 HydrophobicContact CG-CG 4.12Å; W557-Q784 HydrophobicContact CZ2-CB 4.45Å; W557-Q784 HydrophobicContact CZ3-CB 4.47Å; M780-Q784 WeakPolarHBondContact O-CB 3.45Å; M780-Q784 VanDerWaalsContact O-CG 3.25Å; M780-Q784 WeakPolarHBondContact O-CG 3.45Å; M780-Q784 PolarHBondContact O-N 3.36Å; M780-Q784 HydrophobicContact SD-CG 4.19Å; F781-Q784 PolarHBondContact O-N 3.07Å; A782-Q784 PolarHBondContact O-N 2.9Å; Q784-T788 WeakPolarHBondContact O-CB 3.39Å; Q784-T788 PolarHBondContact O-N 3.24Å; Q784-T788 PolarHBondContact O-OG1 3.25Å
785	I	87.7	Confident	84.8	Confident	39 Å²	39	40.9 Å²	40.9	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-46.9	176.1	-71.3	175.1	0	0	0	110.9	W557 I767 A771 F781 A782 T787 T788 S789	W557-I785 HydrophobicContact CH2-CG1 3.97Å; W557-I785 HydrophobicContact CZ3-CG1 3.96Å; I767-I785 HydrophobicContact CG2-CG2 4.44Å; A771-I785 HydrophobicContact CB-CB 4.16Å; A771-I785 HydrophobicContact CB-CG2 3.67Å; F781-I785 HydrophobicContact CD1-CD1 3.58Å; F781-I785 HydrophobicContact CD1-CG1 4.38Å; F781-I785 HydrophobicContact CE1-CD1 3.18Å; F781-I785 HydrophobicContact CE1-CG1 4.2Å; F781-I785 HydrophobicContact CE2-CD1 4.46Å; F781-I785 HydrophobicContact CG-CD1 4.37Å; F781-I785 HydrophobicContact CZ-CD1 3.68Å; F781-I785 HydrophobicContact CZ-CG1 4.4Å; F781-I785 WeakPolarHBondContact O-CG1 3.39Å; F781-I785 PolarHBondContact O-N 3.17Å; A782-I785 PolarHBondContact O-N 2.94Å; I785-T787 PolarHBondContact O-N 2.88Å; I785-T788 PolarHBondContact O-N 2.94Å; I785-S789 WeakPolarHBondContact O-CB 3.44Å; I785-S789 PolarHBondContact O-N 3.33Å; I785-S789 PolarHBondContact O-OG 2.68Å
786	Q	87.5	Confident	86.2	Confident	25 Å²	25	42.6 Å²	42.6	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-47.9	-179.6	-75.9	179	-12.1	0	0	111.9	Y768 A771 A782 F783 S789 L790	Y768-Q786 HydrophobicContact CD2-CB 4.31Å; Y768-Q786 HydrophobicContact CD2-CG 4.39Å; Y768-Q786 HydrophobicContact CE2-CB 4.09Å; Y768-Q786 HydrophobicContact CE2-CG 4.37Å; Y768-Q786 PolarHBondContact O-NE2 3.03Å; A771-Q786 HydrophobicContact CB-CG 4.04Å; A782-Q786 WeakPolarHBondContact O-CB 3.44Å; A782-Q786 WeakPolarHBondContact O-CG 3.17Å; A782-Q786 PolarHBondContact O-N 3.3Å; F783-Q786 PolarHBondContact O-N 2.83Å; Q786-S789 PolarHBondContact O-OG 3.32Å; Q786-S789 VanDerWaalsContact O-OG 3.05Å; Q786-L790 VanDerWaalsContact O-CB 3.3Å; Q786-L790 WeakPolarHBondContact O-CB 3.31Å; Q786-L790 PolarHBondContact O-N 2.89Å; Q786-L790 VanDerWaalsContact O-N 3.08Å
787	T	88.9	Confident	87.6	Confident	17 Å²	17	37.2 Å²	37.2	10%	0.104	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-43.8	-179.6	-51.2	0	0	0	0	111.6	I551 F783 I785 L790 C791	I551-T787 HydrophobicContact CD1-CG2 3.63Å; F783-T787 WeakPolarHBondContact O-CB 3.39Å; F783-T787 PolarHBondContact O-N 2.99Å; F783-T787 PolarHBondContact O-OG1 2.91Å; I785-T787 PolarHBondContact O-N 2.88Å; T787-L790 PolarHBondContact O-N 2.93Å; T787-C791 PolarHBondContact O-N 3.29Å; T787-C791 PolarHBondContact O-SG 2.89Å
788	T	90.7	Very high	88.7	Confident	13 Å²	13	29.6 Å²	29.6	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-45.1	-179.3	-59.7	0	0	0	0	111.5	W557 P561 Q784 I785 L790 C791 I792	W557-T788 HydrophobicContact CE3-CG2 4.24Å; W557-T788 PolarHBondContact O-OG1 3.12Å; P561-T788 HydrophobicContact CG-CG2 3.71Å; Q784-T788 WeakPolarHBondContact O-CB 3.39Å; Q784-T788 PolarHBondContact O-N 3.24Å; Q784-T788 PolarHBondContact O-OG1 3.25Å; I785-T788 PolarHBondContact O-N 2.94Å; T788-L790 VanDerWaalsContact C-N 3.31Å; T788-L790 PolarHBondContact O-N 3.02Å; T788-C791 WeakPolarHBondContact O-CB 3.45Å; T788-C791 PolarHBondContact O-N 3.34Å; T788-I792 HydrophobicContact CG2-CD1 3.84Å; T788-I792 WeakPolarHBondContact O-CG1 3.2Å; T788-I792 PolarHBondContact O-N 2.99Å
789	S	89.7	Confident	89.6	Confident	18 Å²	18	22.8 Å²	22.8	13%	0.126	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-36.8	176.6	62.3	0	0	0	0	111.8	I785 Q786 C793	I785-S789 WeakPolarHBondContact O-CB 3.44Å; I785-S789 PolarHBondContact O-N 3.33Å; I785-S789 PolarHBondContact O-OG 2.68Å; Q786-S789 PolarHBondContact O-OG 3.32Å; Q786-S789 VanDerWaalsContact O-OG 3.05Å; S789-C793 WeakPolarHBondContact O-CB 3.47Å; S789-C793 PolarHBondContact O-N 2.73Å
790	L	90.4	Very high	90.5	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-46.1	172.5	-179.6	61.6	0	0	0	111.8	L613 I629 F716 F764 Q786 T787 T788 I792 C793 V794	L613-L790 HydrophobicContact CD1-CD2 4.3Å; L613-L790 HydrophobicContact CD1-CG 4.09Å; L613-L790 HydrophobicContact CD2-CD2 3.74Å; L613-L790 HydrophobicContact CD2-CG 4.42Å; I629-L790 HydrophobicContact CD1-CD2 4.07Å; F716-L790 HydrophobicContact CB-CD2 4.26Å; F716-L790 HydrophobicContact CD1-CD2 4.01Å; F716-L790 HydrophobicContact CD2-CD2 3.41Å; F716-L790 VanDerWaalsContact CD2-CD2 3.41Å; F716-L790 HydrophobicContact CE1-CD2 4.15Å; F716-L790 HydrophobicContact CE2-CD2 3.57Å; F716-L790 HydrophobicContact CG-CD2 3.65Å; F716-L790 HydrophobicContact CZ-CD2 3.94Å; F764-L790 HydrophobicContact CE2-CB 4.38Å; F764-L790 HydrophobicContact CE2-CD1 4.39Å; F764-L790 HydrophobicContact CZ-CD1 3.93Å; Q786-L790 VanDerWaalsContact O-CB 3.3Å; Q786-L790 WeakPolarHBondContact O-CB 3.31Å; Q786-L790 PolarHBondContact O-N 2.89Å; Q786-L790 VanDerWaalsContact O-N 3.08Å; T787-L790 PolarHBondContact O-N 2.93Å; T788-L790 VanDerWaalsContact C-N 3.31Å; T788-L790 PolarHBondContact O-N 3.02Å; L790-I792 VanDerWaalsContact C-N 3.35Å; L790-I792 PolarHBondContact O-N 2.92Å; L790-C793 PolarHBondContact O-N 3.34Å; L790-V794 HydrophobicContact CD1-CG2 4.03Å; L790-V794 WeakPolarHBondContact O-CB 3.36Å; L790-V794 VanDerWaalsContact O-CG2 3.26Å; L790-V794 WeakPolarHBondContact O-CG2 3.42Å; L790-V794 PolarHBondContact O-N 3.15Å
791	C	93	Very high	91	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-47.8	175.8	-67.1	0	0	0	0	111.9	P561 T610 L613 T787 T788 S795	P561-C791 HydrophobicContact CB-CB 3.74Å; P561-C791 HydrophobicContact CG-CB 4.3Å; T610-C791 HydrophobicContact CG2-CB 4.12Å; L613-C791 WeakPolarHBondContact CB-SG 3.34Å; L613-C791 HydrophobicContact CD1-CB 4.43Å; L613-C791 VanDerWaalsContact CD1-SG 3.58Å; T787-C791 PolarHBondContact O-N 3.29Å; T787-C791 PolarHBondContact O-SG 2.89Å; T788-C791 WeakPolarHBondContact O-CB 3.45Å; T788-C791 PolarHBondContact O-N 3.34Å; C791-S795 WeakPolarHBondContact O-CB 3.09Å; C791-S795 PolarHBondContact O-N 2.87Å; C791-S795 PolarHBondContact O-OG 3.29Å
792	I	93.1	Very high	91.5	Very high	56 Å²	56	18.1 Å²	18.1	29%	0.287	10%	0.099	S	C	.	.	H	α-helix	trans	-66.7	-45.5	-179.6	-68.1	171.8	0	0	0	110.2	P561 T788 L790 V794 S795 L796	P561-I792 HydrophobicContact CB-CG1 4.43Å; P561-I792 HydrophobicContact CG-CG1 4.25Å; T788-I792 HydrophobicContact CG2-CD1 3.84Å; T788-I792 WeakPolarHBondContact O-CG1 3.2Å; T788-I792 PolarHBondContact O-N 2.99Å; L790-I792 VanDerWaalsContact C-N 3.35Å; L790-I792 PolarHBondContact O-N 2.92Å; I792-V794 PolarHBondContact O-N 3.27Å; I792-S795 PolarHBondContact O-N 3.23Å; I792-L796 HydrophobicContact CG2-CD1 3.67Å; I792-L796 HydrophobicContact CG2-CG 4Å; I792-L796 VanDerWaalsContact O-CB 3.28Å; I792-L796 WeakPolarHBondContact O-CB 3.45Å; I792-L796 VanDerWaalsContact O-CG 3.22Å; I792-L796 WeakPolarHBondContact O-CG 3.27Å; I792-L796 PolarHBondContact O-N 3.14Å
793	C	92.4	Very high	92	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.034	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-47.6	179.3	179.7	0	0	0	0	112.2	F764 S789 L790 S795 L796 C797	F764-C793 HydrophobicContact CB-CB 4.28Å; F764-C793 HydrophobicContact CD2-CB 3.5Å; F764-C793 VanDerWaalsContact CD2-CB 3.5Å; F764-C793 HydrophobicContact CE2-CB 3.98Å; F764-C793 HydrophobicContact CG-CB 3.9Å; F764-C793 WeakPolarHBondContact CG-SG 3.4Å; S789-C793 WeakPolarHBondContact O-CB 3.47Å; S789-C793 PolarHBondContact O-N 2.73Å; L790-C793 PolarHBondContact O-N 3.34Å; C793-S795 VanDerWaalsContact C-N 3.34Å; C793-S795 PolarHBondContact O-N 3.39Å; C793-L796 PolarHBondContact O-N 3.48Å; C793-C797 PolarHBondContact O-N 2.63Å; C793-C797 PolarHBondContact O-SG 2.8Å
794	V	92.1	Very high	92.3	Very high	8 Å²	8	21.2 Å²	21.2	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-41.9	178.2	174.9	0	0	0	0	110.7	C606 M609 I629 L790 I792 C797 G798	C606-V794 HydrophobicContact CB-CG1 3.98Å; C606-V794 WeakPolarHBondContact O-CG1 3.48Å; M609-V794 HydrophobicContact CB-CG1 4.28Å; I629-V794 HydrophobicContact CG2-CG2 3.78Å; L790-V794 HydrophobicContact CD1-CG2 4.03Å; L790-V794 WeakPolarHBondContact O-CB 3.36Å; L790-V794 VanDerWaalsContact O-CG2 3.26Å; L790-V794 WeakPolarHBondContact O-CG2 3.42Å; L790-V794 PolarHBondContact O-N 3.15Å; I792-V794 PolarHBondContact O-N 3.27Å; V794-C797 WeakPolarHBondContact O-CB 3.28Å; V794-C797 PolarHBondContact O-N 3.12Å; V794-G798 PolarHBondContact O-N 3.18Å
795	S	94.8	Very high	92.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-36.6	175.9	-61.4	0	0	0	0	112.5	Y607 T610 C791 I792 C793 C797 G798 T799	Y607-S795 VanDerWaalsContact CE1-O 3.3Å; Y607-S795 WeakPolarHBondContact CE1-O 3.48Å; T610-S795 PolarHBondContact OG1-OG 3.41Å; T610-S795 VanDerWaalsContact OG1-OG 3.06Å; C791-S795 WeakPolarHBondContact O-CB 3.09Å; C791-S795 PolarHBondContact O-N 2.87Å; C791-S795 PolarHBondContact O-OG 3.29Å; I792-S795 PolarHBondContact O-N 3.23Å; C793-S795 VanDerWaalsContact C-N 3.34Å; C793-S795 PolarHBondContact O-N 3.39Å; S795-C797 VanDerWaalsContact C-N 3.34Å; S795-G798 PolarHBondContact O-N 3.34Å; S795-T799 PolarHBondContact O-N 2.85Å; S795-T799 PolarHBondContact O-OG1 3.36Å
796	L	94.1	Very high	92.7	Very high	56 Å²	56	18 Å²	18	29%	0.293	11%	0.107	S	C	.	.	H	α-helix	trans	-66.1	-35.2	175.6	-78.5	175.7	0	0	0	111.7	F564 V760 I792 C793 G798 T799 V800	F564-L796 HydrophobicContact CE1-CD2 4.41Å; F564-L796 HydrophobicContact CZ-CD2 3.92Å; V760-L796 HydrophobicContact CG1-CB 4.07Å; V760-L796 HydrophobicContact CG1-CD1 4.48Å; V760-L796 HydrophobicContact CG2-CB 4.44Å; I792-L796 HydrophobicContact CG2-CD1 3.67Å; I792-L796 HydrophobicContact CG2-CG 4Å; I792-L796 VanDerWaalsContact O-CB 3.28Å; I792-L796 WeakPolarHBondContact O-CB 3.45Å; I792-L796 VanDerWaalsContact O-CG 3.22Å; I792-L796 WeakPolarHBondContact O-CG 3.27Å; I792-L796 PolarHBondContact O-N 3.14Å; C793-L796 PolarHBondContact O-N 3.48Å; L796-G798 VanDerWaalsContact C-N 3.29Å; L796-G798 PolarHBondContact O-N 2.81Å; L796-T799 PolarHBondContact O-N 3Å; L796-T799 VanDerWaalsContact O-N 3.16Å; L796-V800 WeakPolarHBondContact O-CB 3.38Å; L796-V800 VanDerWaalsContact O-CG2 3.29Å; L796-V800 WeakPolarHBondContact O-CG2 3.28Å; L796-V800 PolarHBondContact O-N 3.14Å
797	C	92.5	Very high	92.9	Very high	3 Å²	3	19 Å²	19	2%	0.02	12%	0.12	C	C	.	.	H	α-helix	trans	-57.5	-44.7	171.8	-67.4	0	0	0	0	111.1	Y637 C793 V794 S795 A801	Y637-C797 PolarHBondContact OH-SG 3.38Å; Y637-C797 VanDerWaalsContact OH-SG 3.41Å; C793-C797 PolarHBondContact O-N 2.63Å; C793-C797 PolarHBondContact O-SG 2.8Å; V794-C797 WeakPolarHBondContact O-CB 3.28Å; V794-C797 PolarHBondContact O-N 3.12Å; S795-C797 VanDerWaalsContact C-N 3.34Å; C797-A801 PolarHBondContact O-N 3.45Å
798	G	93.9	Very high	93	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-41	173.3	0	0	0	0	0	113	V794 S795 L796 A801 L802	V794-G798 PolarHBondContact O-N 3.18Å; S795-G798 PolarHBondContact O-N 3.34Å; L796-G798 VanDerWaalsContact C-N 3.29Å; L796-G798 PolarHBondContact O-N 2.81Å; G798-A801 PolarHBondContact O-N 3.49Å; G798-L802 WeakPolarHBondContact O-CB 3.43Å; G798-L802 PolarHBondContact O-N 3.16Å
799	T	96	Very high	92.9	Very high	28 Å²	28	19.5 Å²	19.5	17%	0.172	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-44.4	-179.3	-53.5	0	0	0	0	111.8	F564 Y607 S795 L796 A801 L802 C803	F564-T799 WeakPolarHBondContact CE1-OG1 3.46Å; F564-T799 HydrophobicContact CZ-CG2 4.21Å; F564-T799 VanDerWaalsContact CZ-OG1 3.28Å; F564-T799 WeakPolarHBondContact CZ-OG1 3.28Å; Y607-T799 WeakPolarHBondContact OH-CA 3.32Å; Y607-T799 PolarHBondContact OH-N 3.22Å; Y607-T799 PolarHBondContact OH-OG1 3.16Å; S795-T799 PolarHBondContact O-N 2.85Å; S795-T799 PolarHBondContact O-OG1 3.36Å; L796-T799 PolarHBondContact O-N 3Å; L796-T799 VanDerWaalsContact O-N 3.16Å; T799-A801 VanDerWaalsContact C-N 3.33Å; T799-A801 PolarHBondContact O-N 2.93Å; T799-L802 PolarHBondContact O-N 3.42Å; T799-C803 WeakPolarHBondContact O-CB 3.44Å; T799-C803 PolarHBondContact O-N 2.8Å; T799-C803 PolarHBondContact O-SG 2.02Å; T799-C803 VanDerWaalsContact O-SG 3.39Å
800	V	95.4	Very high	92.9	Very high	19 Å²	19	19.3 Å²	19.3	12%	0.115	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-46	176.8	167.3	0	0	0	0	110.2	T753 A756 V760 L796 C804	T753-V800 HydrophobicContact CG2-CG1 4.21Å; T753-V800 WeakPolarHBondContact O-CG1 3.28Å; A756-V800 HydrophobicContact CB-CG1 3.53Å; A756-V800 HydrophobicContact CB-CG2 4.23Å; V760-V800 HydrophobicContact CG2-CG2 4.07Å; L796-V800 WeakPolarHBondContact O-CB 3.38Å; L796-V800 VanDerWaalsContact O-CG2 3.29Å; L796-V800 WeakPolarHBondContact O-CG2 3.28Å; L796-V800 PolarHBondContact O-N 3.14Å; V800-C804 WeakPolarHBondContact O-CB 3.23Å; V800-C804 PolarHBondContact O-N 2.75Å
801	A	93.8	Very high	93	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-42.6	175.3	0	0	0	0	0	112	I603 I636 T753 C797 G798 T799 F805 F806	I603-A801 HydrophobicContact CD1-CB 3.79Å; I603-A801 HydrophobicContact CG1-CB 4.06Å; I636-A801 HydrophobicContact CG2-CB 4.1Å; T753-A801 HydrophobicContact CG2-CB 4.34Å; C797-A801 PolarHBondContact O-N 3.45Å; G798-A801 PolarHBondContact O-N 3.49Å; T799-A801 VanDerWaalsContact C-N 3.33Å; T799-A801 PolarHBondContact O-N 2.93Å; A801-F805 WeakPolarHBondContact O-CB 3.45Å; A801-F805 PolarHBondContact O-N 3.37Å; A801-F805 VanDerWaalsContact O-N 3.13Å; A801-F806 PolarHBondContact O-N 3.44Å
802	L	95.3	Very high	92.7	Very high	16 Å²	16	26.3 Å²	26.3	8%	0.084	15%	0.149	C	C	.	.	I	π-helix	trans	-63.6	-48.6	178.5	-166.1	68.6	0	0	0	112.1	A571 V575 G798 T799 F806 A807	A571-L802 HydrophobicContact CB-CD2 3.83Å; V575-L802 HydrophobicContact CB-CD1 4.25Å; V575-L802 HydrophobicContact CG1-CD1 4.5Å; V575-L802 HydrophobicContact CG2-CD1 3.86Å; G798-L802 WeakPolarHBondContact O-CB 3.43Å; G798-L802 PolarHBondContact O-N 3.16Å; T799-L802 PolarHBondContact O-N 3.42Å; L802-F806 HydrophobicContact CD1-CB 4.33Å; L802-F806 HydrophobicContact CD1-CD2 4.47Å; L802-F806 CarbonylContact O-C 3.02Å; L802-F806 WeakPolarHBondContact O-CA 3.3Å; L802-F806 WeakPolarHBondContact O-CB 3.41Å; L802-F806 PolarHBondContact O-N 2.76Å; L802-F806 VanDerWaalsContact O-N 3.16Å; L802-A807 PolarHBondContact O-N 3.18Å
803	C	94.6	Very high	92.4	Very high	72 Å²	72	24 Å²	24	49%	0.486	14%	0.137	S	C	.	.	I	π-helix	trans	-74.7	-46.7	-176.1	-68.6	0	0	0	0	112.9	T799 A807	T799-C803 WeakPolarHBondContact O-CB 3.44Å; T799-C803 PolarHBondContact O-N 2.8Å; T799-C803 PolarHBondContact O-SG 2.02Å; T799-C803 VanDerWaalsContact O-SG 3.39Å; C803-A807 VanDerWaalsContact O-CB 3.25Å; C803-A807 WeakPolarHBondContact O-CB 3.24Å
804	C	93.3	Very high	92.2	Very high	35 Å²	35	27.1 Å²	27.1	24%	0.236	15%	0.153	C	C	.	.	I	π-helix	trans	-80.6	-31.8	-174.4	-62.6	0	0	0	0	112.8	F752 T753 V800	F752-C804 HydrophobicContact CB-CB 4.46Å; T753-C804 VanDerWaalsContact OG1-CB 3.31Å; T753-C804 WeakPolarHBondContact OG1-CB 3.49Å; V800-C804 WeakPolarHBondContact O-CB 3.23Å; V800-C804 PolarHBondContact O-N 2.75Å
805	F	92.5	Very high	92.1	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.18	C	C	.	.	I	π-helix	trans	-101.3	-47.6	-175.1	-169.1	-85.5	0	0	0	113.5	M599 K643 I750 A801	M599-F805 HydrophobicContact CE-CD1 3.24Å; M599-F805 HydrophobicContact CE-CD2 4.27Å; M599-F805 HydrophobicContact CE-CE1 3.15Å; M599-F805 HydrophobicContact CE-CE2 4.18Å; M599-F805 HydrophobicContact CE-CG 3.79Å; M599-F805 HydrophobicContact CE-CZ 3.61Å; K643-F805 HydrophobicContact CD-CE2 4.4Å; K643-F805 HydrophobicContact CD-CZ 3.95Å; K643-F805 VanDerWaalsContact NZ-CZ 3.33Å; I750-F805 HydrophobicContact CD1-CE2 4.37Å; I750-F805 HydrophobicContact CG1-CD2 4.08Å; I750-F805 HydrophobicContact CG1-CE2 3.65Å; A801-F805 WeakPolarHBondContact O-CB 3.45Å; A801-F805 PolarHBondContact O-N 3.37Å; A801-F805 VanDerWaalsContact O-N 3.13Å
806	F	93.6	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-89.5	-37.8	-173.2	-73.2	-78.4	0	0	0	113.4	V575 F579 C596 M599 L600 I603 A801 L802 K809 M810	V575-F806 HydrophobicContact CG1-CB 4.08Å; V575-F806 HydrophobicContact CG1-CD1 3.9Å; V575-F806 HydrophobicContact CG1-CG 4.11Å; F579-F806 HydrophobicContact CE1-CD1 4.14Å; F579-F806 AromaticContact CE1-CE1 3.84Å; F579-F806 HydrophobicContact CE1-CE1 3.84Å; F579-F806 AromaticContact CE2-CD1 3.68Å; F579-F806 HydrophobicContact CE2-CD1 3.68Å; F579-F806 HydrophobicContact CE2-CE1 4.15Å; F579-F806 AromaticContact CZ-CD1 3.43Å; F579-F806 HydrophobicContact CZ-CD1 3.43Å; F579-F806 VanDerWaalsContact CZ-CD1 3.43Å; F579-F806 AromaticContact CZ-CE1 3.63Å; F579-F806 HydrophobicContact CZ-CE1 3.63Å; C596-F806 HydrophobicContact CB-CE1 4.19Å; C596-F806 HydrophobicContact CB-CZ 4.34Å; M599-F806 HydrophobicContact CB-CZ 4.47Å; M599-F806 HydrophobicContact CE-CD2 4.17Å; M599-F806 HydrophobicContact CE-CE1 4.35Å; M599-F806 HydrophobicContact CE-CE2 3.22Å; M599-F806 HydrophobicContact CE-CZ 3.33Å; M599-F806 HydrophobicContact CG-CE2 4.2Å; M599-F806 HydrophobicContact SD-CE2 4.39Å; L600-F806 HydrophobicContact CD1-CE1 4.08Å; L600-F806 HydrophobicContact CD1-CZ 4.19Å; L600-F806 HydrophobicContact CD2-CD2 4.31Å; L600-F806 HydrophobicContact CD2-CE1 4.18Å; L600-F806 HydrophobicContact CD2-CE2 3.95Å; L600-F806 HydrophobicContact CD2-CZ 3.89Å; L600-F806 HydrophobicContact CG-CE1 3.96Å; L600-F806 HydrophobicContact CG-CE2 4.09Å; L600-F806 HydrophobicContact CG-CZ 3.58Å; I603-F806 HydrophobicContact CD1-CD2 3.96Å; I603-F806 HydrophobicContact CD1-CE2 3.61Å; A801-F806 PolarHBondContact O-N 3.44Å; L802-F806 HydrophobicContact CD1-CB 4.33Å; L802-F806 HydrophobicContact CD1-CD2 4.47Å; L802-F806 CarbonylContact O-C 3.02Å; L802-F806 WeakPolarHBondContact O-CA 3.3Å; L802-F806 WeakPolarHBondContact O-CB 3.41Å; L802-F806 PolarHBondContact O-N 2.76Å; L802-F806 VanDerWaalsContact O-N 3.16Å; F806-K809 WeakPolarHBondContact O-CB 3.45Å; F806-K809 PolarHBondContact O-N 3.14Å; F806-M810 WeakPolarHBondContact O-CG 3.47Å; F806-M810 PolarHBondContact O-N 3.28Å
807	A	91.5	Very high	91.1	Very high	48 Å²	48	36.4 Å²	36.4	40%	0.397	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-43	-176.2	0	0	0	0	0	114.1	L802 C803 K809 M810 Y811	L802-A807 PolarHBondContact O-N 3.18Å; C803-A807 VanDerWaalsContact O-CB 3.25Å; C803-A807 WeakPolarHBondContact O-CB 3.24Å; A807-K809 VanDerWaalsContact C-N 3.25Å; A807-K809 PolarHBondContact O-N 3.46Å; A807-M810 PolarHBondContact O-N 3.18Å; A807-Y811 WeakPolarHBondContact O-CB 3.41Å; A807-Y811 PolarHBondContact O-N 3.12Å
808	P	89.7	Confident	90.5	Very high	33 Å²	33	40.8 Å²	40.8	21%	0.214	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-34.6	175.2	-23.4	34.5	0	0	0	112.9	Y749 I812	Y749-P808 HydrophobicContact CD1-CB 4.2Å; Y749-P808 HydrophobicContact CD1-CG 3.86Å; Y749-P808 HydrophobicContact CE1-CB 3.61Å; Y749-P808 HydrophobicContact CE1-CG 3.67Å; Y749-P808 HydrophobicContact CE2-CB 4.01Å; Y749-P808 HydrophobicContact CG-CG 4.46Å; P808-I812 VanDerWaalsContact O-CG1 3.31Å; P808-I812 WeakPolarHBondContact O-CG1 3.35Å; P808-I812 PolarHBondContact O-N 3.37Å
809	K	89.4	Confident	89.5	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-72.2	-41.7	176.9	-63.1	-177.1	-180	-168.7	0	111.3	F579 L587 S591 E746 F806 A807 Y811 I812 V813	F579-K809 HydrophobicContact CZ-CD 4.39Å; L587-K809 HydrophobicContact CD2-CB 4.42Å; S591-K809 PolarHBondContact OG-NZ 2.99Å; E746-K809 IonicContact OE1-NZ 2.7Å; E746-K809 PolarHBondContact OE1-NZ 3.47Å; F806-K809 WeakPolarHBondContact O-CB 3.45Å; F806-K809 PolarHBondContact O-N 3.14Å; A807-K809 VanDerWaalsContact C-N 3.25Å; A807-K809 PolarHBondContact O-N 3.46Å; K809-Y811 VanDerWaalsContact C-N 3.33Å; K809-I812 PolarHBondContact O-N 3.04Å; K809-V813 WeakPolarHBondContact O-CG2 3.46Å; K809-V813 PolarHBondContact O-N 3.44Å
810	M	90.7	Very high	88.4	Confident	13 Å²	13	45.5 Å²	45.5	6%	0.064	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-39.2	176.6	-65	-72.6	72.7	0	0	112.4	V575 I578 F579 F806 A807 I812 V813 I814	V575-M810 HydrophobicContact CB-SD 4.25Å; V575-M810 HydrophobicContact CG1-CG 4.15Å; V575-M810 HydrophobicContact CG1-SD 3.88Å; V575-M810 HydrophobicContact CG2-CG 3.96Å; V575-M810 HydrophobicContact CG2-SD 4.17Å; I578-M810 HydrophobicContact CB-CE 4.17Å; I578-M810 HydrophobicContact CB-SD 3.82Å; I578-M810 HydrophobicContact CG2-CE 3.39Å; I578-M810 HydrophobicContact CG2-SD 3.64Å; F579-M810 HydrophobicContact CD2-CE 3.49Å; F579-M810 VanDerWaalsContact CD2-CE 3.49Å; F579-M810 HydrophobicContact CD2-SD 3.74Å; F579-M810 HydrophobicContact CE2-CE 3.27Å; F579-M810 HydrophobicContact CE2-CG 4.29Å; F579-M810 HydrophobicContact CE2-SD 3.68Å; F579-M810 HydrophobicContact CZ-CE 4.36Å; F806-M810 WeakPolarHBondContact O-CG 3.47Å; F806-M810 PolarHBondContact O-N 3.28Å; A807-M810 PolarHBondContact O-N 3.18Å; M810-I812 VanDerWaalsContact C-N 3.33Å; M810-I812 PolarHBondContact O-N 3.09Å; M810-V813 HydrophobicContact CE-CB 3.97Å; M810-V813 HydrophobicContact CE-CG1 4.32Å; M810-V813 HydrophobicContact CE-CG2 3.98Å; M810-V813 PolarHBondContact O-N 3.2Å; M810-I814 WeakPolarHBondContact O-CB 3.21Å; M810-I814 WeakPolarHBondContact O-CG1 3.42Å; M810-I814 PolarHBondContact O-N 3.47Å
811	Y	90.7	Very high	87.1	Confident	122 Å²	122	48.9 Å²	48.9	48%	0.478	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-45.5	172.4	-176.9	-95	0	0	0	111.8	A807 K809 F815 Q816	A807-Y811 WeakPolarHBondContact O-CB 3.41Å; A807-Y811 PolarHBondContact O-N 3.12Å; K809-Y811 VanDerWaalsContact C-N 3.33Å; Y811-F815 HydrophobicContact CD2-CB 4.38Å; Y811-F815 AromaticContact CD2-CD2 3.61Å; Y811-F815 HydrophobicContact CD2-CD2 3.61Å; Y811-F815 HydrophobicContact CD2-CE2 4.3Å; Y811-F815 HydrophobicContact CD2-CG 4.32Å; Y811-F815 HydrophobicContact CE2-CB 4.15Å; Y811-F815 AromaticContact CE2-CD2 3.9Å; Y811-F815 HydrophobicContact CE2-CD2 3.9Å; Y811-F815 HydrophobicContact CE2-CG 4.21Å; Y811-F815 HydrophobicContact CG-CD2 4.35Å; Y811-F815 WeakPolarHBondContact O-CB 3.42Å; Y811-F815 PolarHBondContact O-N 2.97Å; Y811-Q816 HydrophobicContact CE1-CG 4.2Å
812	I	87	Confident	85.6	Confident	30 Å²	30	53.8 Å²	53.8	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-44	177.7	-65.3	165.5	0	0	0	111.5	L587 P808 K809 M810 I814 Q816 K819	L587-I812 HydrophobicContact CD2-CB 3.99Å; L587-I812 HydrophobicContact CD2-CG2 3.79Å; P808-I812 VanDerWaalsContact O-CG1 3.31Å; P808-I812 WeakPolarHBondContact O-CG1 3.35Å; P808-I812 PolarHBondContact O-N 3.37Å; K809-I812 PolarHBondContact O-N 3.04Å; M810-I812 VanDerWaalsContact C-N 3.33Å; M810-I812 PolarHBondContact O-N 3.09Å; I812-I814 PolarHBondContact O-N 3.36Å; I812-Q816 CarbonylContact O-C 3.52Å; I812-Q816 WeakPolarHBondContact O-CA 3.45Å; I812-Q816 PolarHBondContact O-N 3.26Å; I812-K819 HydrophobicContact CG2-CB 3.99Å
813	V	87.4	Confident	83.6	Confident	7 Å²	7	62.6 Å²	62.6	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-38.9	-178.7	172.7	0	0	0	0	112.1	I578 F582 L587 I588 K809 M810	I578-V813 HydrophobicContact CG2-CG1 3.89Å; F582-V813 HydrophobicContact CB-CG1 4.06Å; F582-V813 HydrophobicContact CD1-CG1 4.38Å; F582-V813 HydrophobicContact CD2-CG1 3.74Å; F582-V813 HydrophobicContact CE2-CG1 4.26Å; F582-V813 HydrophobicContact CG-CG1 3.8Å; L587-V813 HydrophobicContact CD2-CG2 3.9Å; I588-V813 HydrophobicContact CD1-CG2 4.27Å; K809-V813 WeakPolarHBondContact O-CG2 3.46Å; K809-V813 PolarHBondContact O-N 3.44Å; M810-V813 HydrophobicContact CE-CB 3.97Å; M810-V813 HydrophobicContact CE-CG1 4.32Å; M810-V813 HydrophobicContact CE-CG2 3.98Å; M810-V813 PolarHBondContact O-N 3.2Å
814	I	88.5	Confident	81.3	Confident	71 Å²	71	64.2 Å²	64.2	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-88.9	-48.6	-173.4	-63.4	170.8	0	0	0	112	F574 M810 I812	F574-I814 HydrophobicContact CE1-CD1 4.14Å; F574-I814 HydrophobicContact CZ-CD1 4.17Å; M810-I814 WeakPolarHBondContact O-CB 3.21Å; M810-I814 WeakPolarHBondContact O-CG1 3.42Å; M810-I814 PolarHBondContact O-N 3.47Å; I812-I814 PolarHBondContact O-N 3.36Å
815	F	90	Very high	79.2	Confident	140 Å²	140	69.4 Å²	69.4	61%	0.614	34%	0.34	S	S	*	.	H	α-helix	trans	-103.3	-17.8	-169.5	-63.3	-75	0	0	0	114.1	Y811 P817	Y811-F815 HydrophobicContact CD2-CB 4.38Å; Y811-F815 AromaticContact CD2-CD2 3.61Å; Y811-F815 HydrophobicContact CD2-CD2 3.61Å; Y811-F815 HydrophobicContact CD2-CE2 4.3Å; Y811-F815 HydrophobicContact CD2-CG 4.32Å; Y811-F815 HydrophobicContact CE2-CB 4.15Å; Y811-F815 AromaticContact CE2-CD2 3.9Å; Y811-F815 HydrophobicContact CE2-CD2 3.9Å; Y811-F815 HydrophobicContact CE2-CG 4.21Å; Y811-F815 HydrophobicContact CG-CD2 4.35Å; Y811-F815 WeakPolarHBondContact O-CB 3.42Å; Y811-F815 PolarHBondContact O-N 2.97Å; F815-P817 VanDerWaalsContact C-CD 3.41Å
816	Q	86	Confident	77	Confident	43 Å²	43	77.4 Å²	77.4	20%	0.201	38%	0.375	C	S	.	.			trans	-130.7	55.2	-179.3	-66.9	-176.5	-11.7	0	0	112.2	Y811 I812 E818 K819	Y811-Q816 HydrophobicContact CE1-CG 4.2Å; I812-Q816 CarbonylContact O-C 3.52Å; I812-Q816 WeakPolarHBondContact O-CA 3.45Å; I812-Q816 PolarHBondContact O-N 3.26Å; Q816-E818 WeakPolarHBondContact CA-OE1 3.26Å; Q816-E818 VanDerWaalsContact CA-OE2 3.23Å; Q816-E818 WeakPolarHBondContact CA-OE2 3.47Å; Q816-E818 VanDerWaalsContact CB-OE1 3.27Å; Q816-E818 WeakPolarHBondContact CB-OE1 3.17Å; Q816-E818 PolarHBondContact O-N 3.05Å; Q816-E818 VanDerWaalsContact O-N 3.08Å; Q816-K819 HydrophobicContact CB-CD 4.28Å; Q816-K819 HydrophobicContact CB-CG 4.41Å; Q816-K819 PolarHBondContact O-N 3.04Å; Q816-K819 VanDerWaalsContact OE1-CD 3.32Å; Q816-K819 VanDerWaalsContact OE1-CE 3.24Å
817	P	81.2	Confident	75.1	Confident	76 Å²	76	83.9 Å²	83.9	49%	0.494	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-58.8	-23.4	-177.6	26.8	-35.3	0	0	0	112.9	F815 K819 N820	F815-P817 VanDerWaalsContact C-CD 3.41Å; P817-K819 PolarHBondContact O-N 3.33Å; P817-N820 WeakPolarHBondContact O-CA 3.47Å; P817-N820 WeakPolarHBondContact O-CB 3.38Å; P817-N820 PolarHBondContact O-N 3.23Å
818	E	79.5	Confident	73.4	Confident	94 Å²	94	87.3 Å²	87.3	44%	0.439	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-65.7	-19.2	174.2	75.2	-68.8	161.9	0	0	114.1	Q816 V821	Q816-E818 WeakPolarHBondContact CA-OE1 3.26Å; Q816-E818 VanDerWaalsContact CA-OE2 3.23Å; Q816-E818 WeakPolarHBondContact CA-OE2 3.47Å; Q816-E818 VanDerWaalsContact CB-OE1 3.27Å; Q816-E818 WeakPolarHBondContact CB-OE1 3.17Å; Q816-E818 PolarHBondContact O-N 3.05Å; Q816-E818 VanDerWaalsContact O-N 3.08Å; E818-V821 VanDerWaalsContact O-CG2 3.29Å; E818-V821 WeakPolarHBondContact O-CG2 3.48Å
819	K	74.5	Confident	71.9	Confident	114 Å²	114	88.2 Å²	88.2	50%	0.496	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-90.6	-10.1	170.1	-64.5	-175.6	-173	171.7	0	112.4	I812 Q816 P817 V821	I812-K819 HydrophobicContact CG2-CB 3.99Å; Q816-K819 HydrophobicContact CB-CD 4.28Å; Q816-K819 HydrophobicContact CB-CG 4.41Å; Q816-K819 PolarHBondContact O-N 3.04Å; Q816-K819 VanDerWaalsContact OE1-CD 3.32Å; Q816-K819 VanDerWaalsContact OE1-CE 3.24Å; P817-K819 PolarHBondContact O-N 3.33Å; K819-V821 VanDerWaalsContact C-N 3.28Å; K819-V821 PolarHBondContact O-N 3.11Å
820	N	72	Confident	70.4	Confident	14 Å²	14	96.5 Å²	96.5	8%	0.075	45%	0.447	C	S	.	.	S	Bend	trans	-93	24.3	179	-162.3	16.8	0	0	0	112.9	T585 P586 L587 P817	T585-N820 VanDerWaalsContact CB-ND2 3.29Å; T585-N820 WeakPolarHBondContact CB-ND2 3.36Å; T585-N820 WeakPolarHBondContact CB-OD1 3.21Å; T585-N820 WeakPolarHBondContact CG2-ND2 3.03Å; T585-N820 PolarHBondContact OG1-ND2 3.37Å; P586-N820 WeakPolarHBondContact CD-O 3.48Å; L587-N820 WeakPolarHBondContact CB-OD1 3.19Å; L587-N820 PolarHBondContact N-OD1 3.41Å; P817-N820 WeakPolarHBondContact O-CA 3.47Å; P817-N820 WeakPolarHBondContact O-CB 3.38Å; P817-N820 PolarHBondContact O-N 3.23Å
821	V	68.7	Low	69	Low	89 Å²	89	99.2 Å²	99.2	54%	0.539	46%	0.464	S	S	.	.	S	Bend	trans	-116.5	152.4	170.7	-69	0	0	0	0	109.2	E818 K819 R823	E818-V821 VanDerWaalsContact O-CG2 3.29Å; E818-V821 WeakPolarHBondContact O-CG2 3.48Å; K819-V821 VanDerWaalsContact C-N 3.28Å; K819-V821 PolarHBondContact O-N 3.11Å; V821-R823 VanDerWaalsContact C-N 3.31Å; V821-R823 PolarHBondContact O-N 3.32Å
822	V	61.2	Low	67.5	Low	105 Å²	105	98.2 Å²	98.2	64%	0.636	47%	0.465	S	S	*	.			trans	-64.9	92.8	176.9	-175.1	0	0	0	0	108.3	P586 M824	P586-V822 HydrophobicContact CB-CG2 3.79Å; P586-V822 HydrophobicContact CG-CG2 3.63Å; V822-M824 HydrophobicContact CG1-CG 3.7Å; V822-M824 PolarHBondContact O-N 3.1Å
823	R	53.6	Low	66.4	Low	200 Å²	200	101.8 Å²	101.8	76%	0.755	48%	0.481	S	S	*	.			trans	-71.8	80.9	166.7	-87.6	-171.1	178.6	-170.8	-0.7	108.1	V821 K825	V821-R823 VanDerWaalsContact C-N 3.31Å; V821-R823 PolarHBondContact O-N 3.32Å; R823-K825 VanDerWaalsContact C-N 3.3Å; R823-K825 PolarHBondContact O-N 3.14Å
824	M	46.2	Very low	65.4	Low	107 Å²	107	104.2 Å²	104.2	53%	0.527	50%	0.502	S	S	.	.			trans	-65.7	98.4	158.6	-72.6	-125.3	-89.5	0	0	107.1	V822 K826 I829	V822-M824 HydrophobicContact CG1-CG 3.7Å; V822-M824 PolarHBondContact O-N 3.1Å; M824-K826 PolarHBondContact O-N 2.84Å; M824-I829 HydrophobicContact CB-CD1 3.61Å; M824-I829 HydrophobicContact CB-CG1 3.8Å; M824-I829 HydrophobicContact CE-CD1 3.57Å; M824-I829 HydrophobicContact CE-CG1 3.58Å; M824-I829 HydrophobicContact CG-CD1 4.3Å; M824-I829 HydrophobicContact CG-CG1 4.27Å; M824-I829 HydrophobicContact SD-CD1 3.98Å; M824-I829 HydrophobicContact SD-CG1 3.5Å; M824-I829 VanDerWaalsContact SD-CG1 3.5Å
825	K	48.8	Very low	64.2	Low	143 Å²	143	107 Å²	107	62%	0.622	51%	0.514	S	S	*	.			trans	-52.7	125.4	163.2	-86.5	-173.6	173.3	-173.1	0	106.2	R823 E827 H828 I829	R823-K825 VanDerWaalsContact C-N 3.3Å; R823-K825 PolarHBondContact O-N 3.14Å; K825-E827 PolarHBondContact O-N 2.92Å; K825-H828 PolarHBondContact O-N 2.64Å; K825-I829 PolarHBondContact O-N 3.05Å
826	K	47.8	Very low	63	Low	169 Å²	169	108.2 Å²	108.2	74%	0.735	52%	0.515	S	S	*	.	H	α-helix	trans	-48.9	-28.6	177.3	-91.4	178.6	171.5	177.2	0	112.3	M824 R830	M824-K826 PolarHBondContact O-N 2.84Å; K826-R830 WeakPolarHBondContact O-CG 3.23Å; K826-R830 PolarHBondContact O-N 3.27Å; K826-R830 VanDerWaalsContact O-N 3.09Å
827	E	53.5	Low	62.3	Low	137 Å²	137	110.8 Å²	110.8	64%	0.64	53%	0.53	S	S	*	.	H	α-helix	trans	-62.6	-40.3	173	-70.1	170.5	155.6	0	0	113.3	K825 R830 T831	K825-E827 PolarHBondContact O-N 2.92Å; E827-R830 PolarHBondContact O-N 2.87Å; E827-T831 PolarHBondContact O-N 3.24Å; E827-T831 PolarHBondContact O-OG1 3.24Å
828	H	55.9	Low	61.7	Low	119 Å²	119	113.3 Å²	113.3	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-75	-33.5	-178.2	-132.6	70.9	0	0	0	112.7	K825 T831 M832	K825-H828 PolarHBondContact O-N 2.64Å; H828-T831 VanDerWaalsContact CA-OG1 3.29Å; H828-T831 WeakPolarHBondContact CA-OG1 3.11Å; H828-T831 PolarHBondContact O-OG1 2.69Å; H828-M832 WeakPolarHBondContact O-CB 3.03Å; H828-M832 WeakPolarHBondContact O-CG 3.37Å; H828-M832 PolarHBondContact O-N 3.03Å
829	I	56.9	Low	60.9	Low	53 Å²	53	113.6 Å²	113.6	27%	0.272	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-44	169.6	-64.7	175.1	0	0	0	109.8	M824 K825 M832 Q833	M824-I829 HydrophobicContact CB-CD1 3.61Å; M824-I829 HydrophobicContact CB-CG1 3.8Å; M824-I829 HydrophobicContact CE-CD1 3.57Å; M824-I829 HydrophobicContact CE-CG1 3.58Å; M824-I829 HydrophobicContact CG-CD1 4.3Å; M824-I829 HydrophobicContact CG-CG1 4.27Å; M824-I829 HydrophobicContact SD-CD1 3.98Å; M824-I829 HydrophobicContact SD-CG1 3.5Å; M824-I829 VanDerWaalsContact SD-CG1 3.5Å; K825-I829 PolarHBondContact O-N 3.05Å; I829-M832 PolarHBondContact O-N 3.22Å; I829-Q833 HydrophobicContact CG2-CG 4.26Å; I829-Q833 VanDerWaalsContact O-CB 3.3Å; I829-Q833 WeakPolarHBondContact O-CB 3.48Å; I829-Q833 WeakPolarHBondContact O-CG 3.49Å; I829-Q833 PolarHBondContact O-N 3.45Å
830	R	58	Low	60.4	Low	180 Å²	180	116.5 Å²	116.5	68%	0.679	55%	0.547	S	S	*	.	H	α-helix	trans	-63.9	-41.1	177.7	-77.2	178.1	179	177.4	-2.3	112.3	K826 E827 A834	K826-R830 WeakPolarHBondContact O-CG 3.23Å; K826-R830 PolarHBondContact O-N 3.27Å; K826-R830 VanDerWaalsContact O-N 3.09Å; E827-R830 PolarHBondContact O-N 2.87Å; R830-A834 WeakPolarHBondContact O-CB 3.33Å; R830-A834 PolarHBondContact O-N 2.82Å
831	T	61.3	Low	60	Low	70 Å²	70	122.6 Å²	122.6	43%	0.429	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-37.1	173.7	31.3	0	0	0	0	113	E827 H828 M835	E827-T831 PolarHBondContact O-N 3.24Å; E827-T831 PolarHBondContact O-OG1 3.24Å; H828-T831 VanDerWaalsContact CA-OG1 3.29Å; H828-T831 WeakPolarHBondContact CA-OG1 3.11Å; H828-T831 PolarHBondContact O-OG1 2.69Å; T831-M835 WeakPolarHBondContact O-CB 3.31Å; T831-M835 WeakPolarHBondContact O-CG 3.17Å; T831-M835 PolarHBondContact O-N 2.83Å
832	M	58.6	Low	59.5	Low	101 Å²	101	125 Å²	125	50%	0.498	59%	0.588	S	S	.	*	H	α-helix	trans	-70.7	-35.6	175.3	-81.8	-163.5	-111.8	0	0	112.7	H828 I829 R836	H828-M832 WeakPolarHBondContact O-CB 3.03Å; H828-M832 WeakPolarHBondContact O-CG 3.37Å; H828-M832 PolarHBondContact O-N 3.03Å; I829-M832 PolarHBondContact O-N 3.22Å; M832-R836 VanDerWaalsContact O-CB 3.25Å; M832-R836 WeakPolarHBondContact O-CB 3.38Å; M832-R836 PolarHBondContact O-N 2.91Å
833	Q	64.2	Low	58.9	Low	106 Å²	106	129.3 Å²	129.3	50%	0.495	60%	0.602	S	S	.	*	H	α-helix	trans	-68.3	-45.5	171.8	-78.5	176	-42.6	0	0	110.5	I829 M835 R836 D837	I829-Q833 HydrophobicContact CG2-CG 4.26Å; I829-Q833 VanDerWaalsContact O-CB 3.3Å; I829-Q833 WeakPolarHBondContact O-CB 3.48Å; I829-Q833 WeakPolarHBondContact O-CG 3.49Å; I829-Q833 PolarHBondContact O-N 3.45Å; Q833-M835 PolarHBondContact O-N 3.2Å; Q833-R836 WeakPolarHBondContact O-CB 3.32Å; Q833-R836 PolarHBondContact O-N 2.88Å; Q833-R836 VanDerWaalsContact O-N 3.14Å; Q833-D837 WeakPolarHBondContact O-CB 3.43Å; Q833-D837 PolarHBondContact O-N 3.15Å
834	A	66.7	Low	59.2	Low	57 Å²	57	125.8 Å²	125.8	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-61	-42.2	175.2	0	0	0	0	0	112.3	R830 D837 H838	R830-A834 WeakPolarHBondContact O-CB 3.33Å; R830-A834 PolarHBondContact O-N 2.82Å; A834-D837 PolarHBondContact O-N 3.19Å; A834-H838 VanDerWaalsContact O-CB 3.29Å; A834-H838 WeakPolarHBondContact O-CB 3.31Å; A834-H838 PolarHBondContact O-N 3.16Å
835	M	63.1	Low	59.9	Low	129 Å²	129	126.7 Å²	126.7	64%	0.635	60%	0.597	S	S	*	*	H	α-helix	trans	-65.1	-39	173.7	-79.7	-178.8	-177.5	0	0	112.1	T831 Q833 H838 I839	T831-M835 WeakPolarHBondContact O-CB 3.31Å; T831-M835 WeakPolarHBondContact O-CG 3.17Å; T831-M835 PolarHBondContact O-N 2.83Å; Q833-M835 PolarHBondContact O-N 3.2Å; M835-H838 PolarHBondContact O-N 2.97Å; M835-I839 WeakPolarHBondContact O-CB 3.36Å; M835-I839 WeakPolarHBondContact O-CD1 3.39Å; M835-I839 WeakPolarHBondContact O-CG1 3.38Å; M835-I839 PolarHBondContact O-N 2.76Å
836	R	66.2	Low	60.5	Low	166 Å²	166	125.8 Å²	125.8	63%	0.626	60%	0.596	S	S	*	*	H	α-helix	trans	-64.4	-45.8	175.7	-179.2	179.3	-66.7	-179.9	-1.2	111.4	M832 Q833 H838 I839 W840	M832-R836 VanDerWaalsContact O-CB 3.25Å; M832-R836 WeakPolarHBondContact O-CB 3.38Å; M832-R836 PolarHBondContact O-N 2.91Å; Q833-R836 WeakPolarHBondContact O-CB 3.32Å; Q833-R836 PolarHBondContact O-N 2.88Å; Q833-R836 VanDerWaalsContact O-N 3.14Å; R836-H838 VanDerWaalsContact C-N 3.31Å; R836-H838 PolarHBondContact O-N 3.35Å; R836-I839 PolarHBondContact O-N 3.47Å; R836-W840 VanDerWaalsContact O-CD1 3.32Å; R836-W840 PolarHBondContact O-N 3.4Å
837	D	69.6	Low	61.3	Low	98 Å²	98	123.3 Å²	123.3	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-67.4	-33.8	179.5	-62.6	-18.2	0	0	0	111.2	Q833 A834 N841	Q833-D837 WeakPolarHBondContact O-CB 3.43Å; Q833-D837 PolarHBondContact O-N 3.15Å; A834-D837 PolarHBondContact O-N 3.19Å; D837-N841 PolarHBondContact O-N 3.16Å; D837-N841 PolarHBondContact O-ND2 3.37Å
838	H	68.9	Low	61.7	Low	128 Å²	128	122.4 Å²	122.4	59%	0.593	59%	0.585	S	S	*	*	H	α-helix	trans	-71.1	-34.8	175.2	-144	-48.2	0	0	0	112.9	A834 M835 R836 L842	A834-H838 VanDerWaalsContact O-CB 3.29Å; A834-H838 WeakPolarHBondContact O-CB 3.31Å; A834-H838 PolarHBondContact O-N 3.16Å; M835-H838 PolarHBondContact O-N 2.97Å; R836-H838 VanDerWaalsContact C-N 3.31Å; R836-H838 PolarHBondContact O-N 3.35Å; H838-L842 WeakPolarHBondContact O-CD1 3.23Å; H838-L842 WeakPolarHBondContact O-CG 3.46Å; H838-L842 PolarHBondContact O-N 3.22Å
839	I	63.9	Low	62.1	Low	101 Å²	101	122.7 Å²	122.7	52%	0.518	59%	0.587	S	S	.	*	H	α-helix	trans	-72.2	-37.9	175.5	-70.1	165.9	0	0	0	110.9	M835 R836 N841 L842 Q843	M835-I839 WeakPolarHBondContact O-CB 3.36Å; M835-I839 WeakPolarHBondContact O-CD1 3.39Å; M835-I839 WeakPolarHBondContact O-CG1 3.38Å; M835-I839 PolarHBondContact O-N 2.76Å; R836-I839 PolarHBondContact O-N 3.47Å; I839-N841 VanDerWaalsContact C-N 3.34Å; I839-N841 PolarHBondContact O-N 3.48Å; I839-L842 PolarHBondContact O-N 2.9Å; I839-Q843 PolarHBondContact O-N 3.13Å
840	W	62.7	Low	62.5	Low	175 Å²	175	127.6 Å²	127.6	66%	0.663	61%	0.609	S	S	*	*	H	α-helix	trans	-69.8	-25.3	175.7	-88.9	101.7	0	0	0	114.3	R836	R836-W840 VanDerWaalsContact O-CD1 3.32Å; R836-W840 PolarHBondContact O-N 3.4Å
841	N	65.3	Low	62.9	Low	142 Å²	142	123.6 Å²	123.6	76%	0.759	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-7.3	173.9	-77.5	-25.6	0	0	0	113.7	D837 I839	D837-N841 PolarHBondContact O-N 3.16Å; D837-N841 PolarHBondContact O-ND2 3.37Å; I839-N841 VanDerWaalsContact C-N 3.34Å; I839-N841 PolarHBondContact O-N 3.48Å
842	L	57.9	Low	63	Low	139 Å²	139	128.1 Å²	128.1	73%	0.728	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-7.6	176.4	-77	166.5	0	0	0	112.9	H838 I839	H838-L842 WeakPolarHBondContact O-CD1 3.23Å; H838-L842 WeakPolarHBondContact O-CG 3.46Å; H838-L842 PolarHBondContact O-N 3.22Å; I839-L842 PolarHBondContact O-N 2.9Å
843	Q	48.9	Very low	63.4	Low	195 Å²	195	130.5 Å²	130.5	91%	0.911	63%	0.629	S	S	*	*			trans	-98.3	0	164.3	-69.7	-171.7	-76.2	0	0	109.3	I839	I839-Q843 PolarHBondContact O-N 3.13Å

Retrieved 843 of 843 residues in 677.4 ms (Link to these results)

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