A0A077Z7R0_TRITR Loading...

Carboxylesterase family protein

AlphaFold DB , UniProt , Accession A0A077Z7R0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.4	Very low	28.7	Very low	240 Å²	240	158.5 Å²	158.5	100%	1.182	82%	0.816	S	S	*	*				0	102.6	0	-102.6	161.3	156.4	0	0	106.2
2	K	27	Very low	29.2	Very low	191 Å²	191	160.8 Å²	160.8	83%	0.83	82%	0.821	S	S	*	*				31.5	121	94.5	-76.4	-163.4	-179.4	-180	0	110.3
3	T	26	Very low	29.9	Very low	98 Å²	98	156.4 Å²	156.4	60%	0.601	81%	0.813	S	S	*	*			cis	174.4	176.4	32.8	5.9	0	0	0	0	107.8
4	F	29.8	Very low	30.6	Very low	173 Å²	173	154.7 Å²	154.7	76%	0.759	80%	0.804	S	S	*	*			trans	93.5	102.4	161.5	-63.6	-84	0	0	0	115.8
5	L	25.5	Very low	31.2	Very low	157 Å²	157	157 Å²	157	82%	0.822	81%	0.805	S	S	*	*				79.9	126.2	59.7	-76.9	162	0	0	0	113.8
6	G	25.2	Very low	31.8	Very low	71 Å²	71	153.4 Å²	153.4	73%	0.732	80%	0.798	S	S	*	*			trans	87.6	132.2	161.3	0	0	0	0	0	112.4
7	V	30.9	Very low	32.4	Very low	137 Å²	137	148.2 Å²	148.2	83%	0.83	78%	0.784	S	S	*	*			cis	-157.1	135	32.8	163.7	0	0	0	0	108.3
8	S	23.9	Very low	33	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	78%	0.776	S	S	*	*			trans	-61.1	134.5	161.5	57.7	0	0	0	0	111
9	R	30.4	Very low	33.6	Very low	229 Å²	229	146.5 Å²	146.5	86%	0.864	77%	0.769	S	S	*	*			trans	-166.8	131.4	138.3	-108.5	165.2	-170.9	-155.9	1.9	112
10	S	31.6	Very low	34.1	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	76%	0.757	S	S	*	*			trans	55.3	90.5	156.5	56.5	0	0	0	0	118.2
11	R	29.5	Very low	34.6	Very low	240 Å²	240	143 Å²	143	91%	0.906	76%	0.755	S	S	*	*			trans	-50.4	152.4	131.4	-73.2	176.2	165.7	-175.7	-5.3	109.3
12	E	34.7	Very low	34.9	Very low	186 Å²	186	137 Å²	137	87%	0.869	73%	0.727	S	S	*	*	S	Bend	trans	91.2	75.6	-178.7	-54.7	-179.6	-174.6	0	0	115.1
13	S	37.7	Very low	35.7	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	71%	0.711	S	S	*	*	S	Bend	trans	-179.6	-8.3	138.2	45.1	0	0	0	0	114.7
14	I	40.3	Very low	36.6	Very low	133 Å²	133	132.1 Å²	132.1	68%	0.682	71%	0.713	S	S	*	*	S	Bend	trans	-100.4	-15.3	-173.1	-59.9	175.3	0	0	0	114.3	S16	I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 2.9Å
15	F	38.4	Very low	37.2	Very low	189 Å²	189	127.4 Å²	127.4	83%	0.829	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-11.3	-179.9	-89.3	-79.4	0	0	0	115.2
16	S	41.3	Very low	37.9	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-9.7	179.7	-53.8	0	0	0	0	114.3	I14 T20	I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 2.9Å; S16-T20 PolarHBondContact O-OG1 3.09Å; S16-T20 VanDerWaalsContact O-OG1 3.07Å
17	A	42.9	Very low	38.8	Very low	66 Å²	66	132.2 Å²	132.2	55%	0.545	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-19.7	-178.4	0	0	0	0	0	114
18	Q	43.2	Very low	39.1	Very low	140 Å²	140	128.7 Å²	128.7	65%	0.654	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-21.1	178.7	-73.1	-173.8	-16.5	0	0	113.5
19	L	43.4	Very low	39.9	Very low	123 Å²	123	129.7 Å²	129.7	64%	0.644	70%	0.703	S	S	*	*	H	α-helix	trans	-79	-29	178.4	-155.8	67.7	0	0	0	112.6	L21 L22 T23	L19-L21 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 2.97Å; L19-T23 PolarHBondContact O-N 3.25Å; L19-T23 PolarHBondContact O-OG1 2.94Å
20	T	44.8	Very low	40.4	Very low	85 Å²	85	126.2 Å²	126.2	52%	0.521	70%	0.701	S	S	.	*	H	α-helix	trans	-73.6	-24.2	178.8	5.9	0	0	0	0	113.6	S16 T23 T24	S16-T20 PolarHBondContact O-OG1 3.09Å; S16-T20 VanDerWaalsContact O-OG1 3.07Å; T20-T23 PolarHBondContact O-OG1 3.36Å; T20-T24 PolarHBondContact O-OG1 3.19Å
21	L	44.5	Very low	40.9	Very low	136 Å²	136	125.5 Å²	125.5	71%	0.712	70%	0.697	S	S	*	*	H	α-helix	trans	-80.9	-20.8	173.7	-118.5	95.7	0	0	0	113.2	L19 T24	L19-L21 PolarHBondContact O-N 3.27Å; L21-T24 PolarHBondContact O-OG1 3.1Å
22	L	42.3	Very low	41.4	Very low	114 Å²	114	120.7 Å²	120.7	60%	0.597	69%	0.694	S	S	*	*	H	α-helix	trans	-85.6	-26.5	176	-90.4	149.7	0	0	0	112.4	L19	L19-L22 PolarHBondContact O-N 2.97Å
23	T	42.9	Very low	41.7	Very low	80 Å²	80	117 Å²	117	49%	0.491	68%	0.683	S	S	.	*	H	α-helix	trans	-79.7	-23.4	175.7	50.8	0	0	0	0	113.8	L19 T20	L19-T23 PolarHBondContact O-N 3.25Å; L19-T23 PolarHBondContact O-OG1 2.94Å; T20-T23 PolarHBondContact O-OG1 3.36Å
24	T	45.2	Very low	42	Very low	106 Å²	106	115.6 Å²	115.6	65%	0.65	67%	0.674	S	S	*	*	S	Bend	trans	-83.5	-16	174.9	50.8	0	0	0	0	113.5	T20 L21	T20-T24 PolarHBondContact O-OG1 3.19Å; L21-T24 PolarHBondContact O-OG1 3.1Å
25	A	42.3	Very low	42.3	Very low	74 Å²	74	114.6 Å²	114.6	61%	0.612	67%	0.674	S	S	*	*	S	Bend	trans	-81.9	-17.9	174.8	0	0	0	0	0	113.8
26	F	41	Very low	43.1	Very low	182 Å²	182	110 Å²	110	80%	0.798	66%	0.655	S	S	*	*	S	Bend	trans	-95.3	-2	-177.2	-99.8	-81.3	0	0	0	115.5
27	L	43	Very low	44.1	Very low	147 Å²	147	107.6 Å²	107.6	77%	0.77	64%	0.642	S	S	*	*	S	Bend	trans	-106.8	7	177.5	-86.6	147.6	0	0	0	113.9
28	G	38	Very low	45.7	Very low	63 Å²	63	108.4 Å²	108.4	65%	0.649	64%	0.637	S	S	*	*	S	Bend	trans	-97.8	1	-175.6	0	0	0	0	0	117
29	C	40.1	Very low	47.5	Very low	123 Å²	123	105.7 Å²	105.7	83%	0.831	63%	0.626	S	S	*	*			trans	-141	51.8	-179.2	-88.4	0	0	0	0	111.7	S31	C29-S31 PolarHBondContact O-N 3.49Å
30	L	41	Very low	49.9	Very low	156 Å²	156	100.8 Å²	100.8	82%	0.817	61%	0.606	S	S	*	*			trans	-87.2	80.8	145.7	-77.7	157.9	0	0	0	105.3	T32	L30-T32 PolarHBondContact O-N 2.85Å
31	S	41.9	Very low	52.3	Low	91 Å²	91	102.5 Å²	102.5	64%	0.636	60%	0.604	S	S	*	*			trans	-50.2	125.5	152.6	40.2	0	0	0	0	105.7	C29 V33	C29-S31 PolarHBondContact O-N 3.49Å; S31-V33 PolarHBondContact O-N 3.21Å
32	T	40.1	Very low	54.7	Low	138 Å²	138	98.7 Å²	98.7	85%	0.847	58%	0.582	S	S	*	*			trans	-60.9	84.3	164.3	48.4	0	0	0	0	106	L30 S34	L30-T32 PolarHBondContact O-N 2.85Å; T32-S34 VanDerWaalsContact C-N 3.33Å; T32-S34 PolarHBondContact O-N 2.93Å
33	V	40.6	Very low	57.3	Low	108 Å²	108	95.7 Å²	95.7	66%	0.655	57%	0.568	S	S	*	*			trans	-54.6	111.3	154.8	178.5	0	0	0	0	102.3	S31 T35	S31-V33 PolarHBondContact O-N 3.21Å; V33-T35 PolarHBondContact O-N 3.42Å
34	S	43.9	Very low	59.8	Low	75 Å²	75	92.3 Å²	92.3	52%	0.524	55%	0.548	S	S	.	.			trans	-55.8	98.5	159.1	47.3	0	0	0	0	103.3	T32 Q36 E167	T32-S34 VanDerWaalsContact C-N 3.33Å; T32-S34 PolarHBondContact O-N 2.93Å; S34-Q36 PolarHBondContact O-N 2.93Å; S34-E167 PolarHBondContact OG-OE2 3.48Å; S34-E167 VanDerWaalsContact OG-OE2 3.07Å
35	T	47.2	Very low	62.3	Low	112 Å²	112	93.6 Å²	93.6	69%	0.687	54%	0.544	S	S	*	.			trans	-64	112.7	174.3	46.2	0	0	0	0	103.5	V33 A37	V33-T35 PolarHBondContact O-N 3.42Å; T35-A37 VanDerWaalsContact C-N 3.31Å; T35-A37 PolarHBondContact O-N 3.3Å
36	Q	54.9	Low	64.9	Low	91 Å²	91	90.5 Å²	90.5	43%	0.425	52%	0.518	S	S	.	.			trans	-42.6	107.3	160	-69.9	173.2	-0.1	0	0	105.5	S34 L38 W56 E167	S34-Q36 PolarHBondContact O-N 2.93Å; Q36-L38 PolarHBondContact O-N 2.68Å; Q36-W56 HydrophobicContact CG-CE3 4.29Å; Q36-W56 HydrophobicContact CG-CH2 4.18Å; Q36-W56 HydrophobicContact CG-CZ3 4.03Å; Q36-W56 VanDerWaalsContact NE2-CH2 3.31Å; Q36-W56 VanDerWaalsContact OE1-CH2 3.28Å; Q36-E167 VanDerWaalsContact CG-OE1 3.23Å; Q36-E167 WeakPolarHBondContact CG-OE1 3.23Å
37	A	62.6	Low	67.6	Low	50 Å²	50	86.9 Å²	86.9	41%	0.413	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	80.4	-177.6	0	0	0	0	0	105.7	T35 D39 N57	T35-A37 VanDerWaalsContact C-N 3.31Å; T35-A37 PolarHBondContact O-N 3.3Å; A37-D39 PolarHBondContact O-N 2.9Å; A37-N57 HydrophobicContact CB-CB 4.41Å; A37-N57 PolarHBondContact O-N 2.96Å; A37-N57 VanDerWaalsContact O-N 3.08Å
38	L	76.1	Confident	70.3	Confident	83 Å²	83	80 Å²	80	44%	0.435	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	109.6	172.5	177.1	68.4	0	0	0	106.7	Q36 G40 R54	Q36-L38 PolarHBondContact O-N 2.68Å; L38-G40 WeakPolarHBondContact CD1-O 3.4Å; L38-R54 HydrophobicContact CD1-CB 3.83Å; L38-R54 HydrophobicContact CD1-CG 3.94Å
39	D	82.2	Confident	73.1	Confident	82 Å²	82	77.7 Å²	77.7	44%	0.439	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-26.1	-174.7	-147.8	9.2	0	0	0	110.4	A37 L55 N57 Q62	A37-D39 PolarHBondContact O-N 2.9Å; D39-L55 HydrophobicContact CB-CB 4.48Å; D39-L55 PolarHBondContact N-O 3.27Å; D39-N57 HydrophobicContact CB-CB 4.36Å; D39-Q62 PolarHBondContact OD2-NE2 3.48Å
40	G	93.6	Very high	75.9	Confident	21 Å²	21	76.4 Å²	76.4	22%	0.216	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-155.1	175.9	0	0	0	0	0	114.3	L38 L55	L38-G40 WeakPolarHBondContact CD1-O 3.4Å; G40-L55 PolarHBondContact N-O 2.86Å; G40-L55 PolarHBondContact O-N 3.22Å
41	Y	95.1	Very high	78.7	Confident	121 Å²	121	69 Å²	69	48%	0.475	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.5	176.8	-57.8	-80.5	0	0	0	109.4	G53 R54 F97	Y41-G53 WeakPolarHBondContact CA-O 3.49Å; Y41-R54 HydrophobicContact CD1-CG 4.24Å; Y41-R54 HydrophobicContact CE1-CG 4.15Å; Y41-F97 AromaticContact CD1-CE1 3.6Å; Y41-F97 HydrophobicContact CD1-CE1 3.6Å; Y41-F97 HydrophobicContact CD1-CE2 4.16Å; Y41-F97 AromaticContact CD1-CZ 3.28Å; Y41-F97 HydrophobicContact CD1-CZ 3.28Å; Y41-F97 AromaticContact CE1-CE1 3.82Å; Y41-F97 HydrophobicContact CE1-CE1 3.82Å; Y41-F97 AromaticContact CE1-CE2 3.64Å; Y41-F97 HydrophobicContact CE1-CE2 3.64Å; Y41-F97 AromaticContact CE1-CZ 3.24Å; Y41-F97 HydrophobicContact CE1-CZ 3.24Å; Y41-F97 HydrophobicContact CG-CZ 4.39Å
42	H	95	Very high	81.3	Confident	55 Å²	55	67.7 Å²	67.7	26%	0.255	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.2	172.2	-171.7	53.7	0	0	0	109.2	G53 L55 Y66 Y136	H42-G53 PolarHBondContact N-O 2.98Å; H42-G53 PolarHBondContact O-N 2.87Å; H42-L55 HydrophobicContact CB-CD1 4.17Å; H42-L55 HydrophobicContact CB-CD2 3.82Å; H42-L55 HydrophobicContact CB-CG 3.91Å; H42-Y66 PolarHBondContact CD2-OH 2.95Å; H42-Y136 AromaticContact CD2-CE2 3.75Å; H42-Y136 AromaticContact CE1-CE2 3.94Å; H42-Y136 AromaticContact CG-CE2 3.85Å; H42-Y136 AromaticContact ND1-CE2 3.94Å; H42-Y136 AromaticContact NE2-CE2 3.85Å
43	T	96.2	Very high	84.1	Confident	51 Å²	51	61.1 Å²	61.1	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	-179.2	-55.6	0	0	0	0	108.6	F50 I51	T43-F50 HydrophobicContact CG2-CB 4.04Å; T43-F50 HydrophobicContact CG2-CD1 4.11Å; T43-F50 HydrophobicContact CG2-CG 4.5Å; T43-I51 VanDerWaalsContact CA-O 3.27Å; T43-I51 WeakPolarHBondContact CA-O 3.45Å
44	V	96	Very high	86.8	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	153.1	178.6	-62.2	0	0	0	0	109.5	V46 F50 I51 Y66 E222 F223	V44-V46 HydrophobicContact CG2-CG1 4.47Å; V44-F50 WeakPolarHBondContact O-CA 3.28Å; V44-I51 HydrophobicContact CG2-CB 4.16Å; V44-I51 PolarHBondContact N-O 3.47Å; V44-I51 PolarHBondContact O-N 3.29Å; V44-Y66 VanDerWaalsContact CG1-OH 3.31Å; V44-Y66 WeakPolarHBondContact CG1-OH 3.44Å; V44-Y66 HydrophobicContact CG2-CE1 3.97Å; V44-E222 HydrophobicContact CB-CB 4.42Å; V44-E222 VanDerWaalsContact CG1-O 3.27Å; V44-E222 WeakPolarHBondContact CG1-O 3.4Å; V44-F223 HydrophobicContact CG2-CD1 4Å; V44-F223 HydrophobicContact CG2-CE1 3.43Å; V44-F223 VanDerWaalsContact CG2-CE1 3.43Å; V44-F223 HydrophobicContact CG2-CE2 4.21Å; V44-F223 HydrophobicContact CG2-CZ 3.55Å
45	K	97.1	Very high	89.3	Confident	133 Å²	133	56.4 Å²	56.4	58%	0.578	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.2	178.6	-174.2	-175.4	178.1	-174.6	0	109.2	F50 E222	K45-F50 HydrophobicContact CB-CD1 3.89Å; K45-F50 HydrophobicContact CB-CE1 3.72Å; K45-F50 HydrophobicContact CD-CE1 3.98Å; K45-F50 HydrophobicContact CD-CZ 3.99Å; K45-F50 HydrophobicContact CG-CD1 4.15Å; K45-F50 HydrophobicContact CG-CE1 3.84Å; K45-F50 HydrophobicContact CG-CZ 4.17Å; K45-E222 WeakPolarHBondContact O-CG 3.43Å
46	V	98	Very high	91.5	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	174.4	174.4	-60.1	0	0	0	0	110.6	V44 Q48 G49 I51 W90 W215 N219 F223	V44-V46 HydrophobicContact CG2-CG1 4.47Å; V46-Q48 HydrophobicContact CG2-CB 4.41Å; V46-Q48 PolarHBondContact O-N 3.27Å; V46-G49 WeakPolarHBondContact CG2-O 3.44Å; V46-G49 PolarHBondContact N-O 3.33Å; V46-G49 PolarHBondContact O-N 2.87Å; V46-G49 VanDerWaalsContact O-N 3.12Å; V46-I51 HydrophobicContact CB-CD1 4.36Å; V46-I51 HydrophobicContact CG1-CD1 3.88Å; V46-I51 HydrophobicContact CG2-CD1 3.52Å; V46-I51 HydrophobicContact CG2-CG1 3.92Å; V46-W90 HydrophobicContact CG2-CH2 4.08Å; V46-W90 HydrophobicContact CG2-CZ2 3.97Å; V46-W215 HydrophobicContact CB-CZ2 4.48Å; V46-W215 HydrophobicContact CG1-CH2 4.35Å; V46-W215 HydrophobicContact CG1-CZ2 4.3Å; V46-W215 HydrophobicContact CG2-CZ2 4.4Å; V46-N219 HydrophobicContact CB-CB 4.12Å; V46-N219 WeakPolarHBondContact CB-OD1 3.15Å; V46-N219 HydrophobicContact CG1-CB 3.96Å; V46-F223 HydrophobicContact CG1-CE2 3.53Å; V46-F223 HydrophobicContact CG1-CZ 3.74Å
47	E	97.8	Very high	93.3	Very high	107 Å²	107	49.9 Å²	49.9	50%	0.5	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-39.5	177.8	-176	-174.2	173.3	0	0	112.6	K86 N219	E47-K86 WeakPolarHBondContact OE1-CE 3.43Å; E47-K86 IonicContact OE1-NZ 3.46Å; E47-K86 PolarHBondContact OE1-NZ 3.43Å; E47-K86 WeakPolarHBondContact OE2-CE 3.34Å; E47-K86 IonicContact OE2-NZ 2.65Å; E47-K86 PolarHBondContact OE2-NZ 2.9Å; E47-N219 WeakPolarHBondContact CB-OD1 3.5Å; E47-N219 PolarHBondContact N-OD1 3.05Å
48	Q	98.2	Very high	94.5	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.014	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.6	-177.6	-66.3	76.4	27.5	0	0	114.5	V46 K87 P89 W90	V46-Q48 HydrophobicContact CG2-CB 4.41Å; V46-Q48 PolarHBondContact O-N 3.27Å; Q48-K87 HydrophobicContact CG-CB 4.1Å; Q48-K87 HydrophobicContact CG-CG 4.1Å; Q48-K87 WeakPolarHBondContact CG-O 3.44Å; Q48-P89 CarbonylContact O-C 3.51Å; Q48-P89 WeakPolarHBondContact O-CA 3.34Å; Q48-P89 WeakPolarHBondContact O-CB 3.43Å; Q48-W90 HydrophobicContact CB-CD2 4.09Å; Q48-W90 HydrophobicContact CB-CE3 3.5Å; Q48-W90 VanDerWaalsContact CB-CE3 3.5Å; Q48-W90 HydrophobicContact CB-CH2 3.38Å; Q48-W90 HydrophobicContact CB-CZ2 3.93Å; Q48-W90 HydrophobicContact CB-CZ3 3.14Å; Q48-W90 HydrophobicContact CG-CE3 4.29Å; Q48-W90 HydrophobicContact CG-CH2 4.21Å; Q48-W90 HydrophobicContact CG-CZ3 3.74Å; Q48-W90 PolarHBondContact O-N 3.45Å
49	G	98.2	Very high	95	Very high	14 Å²	14	49.9 Å²	49.9	14%	0.144	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-164.8	-175.8	0	0	0	0	0	113.6	V46	V46-G49 WeakPolarHBondContact CG2-O 3.44Å; V46-G49 PolarHBondContact N-O 3.33Å; V46-G49 PolarHBondContact O-N 2.87Å; V46-G49 VanDerWaalsContact O-N 3.12Å
50	F	98.5	Very high	95.1	Very high	95 Å²	95	53.3 Å²	53.3	42%	0.417	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.2	177.1	-67.9	-80.5	0	0	0	110.8	T43 V44 K45 W90 D93 H94	T43-F50 HydrophobicContact CG2-CB 4.04Å; T43-F50 HydrophobicContact CG2-CD1 4.11Å; T43-F50 HydrophobicContact CG2-CG 4.5Å; V44-F50 WeakPolarHBondContact O-CA 3.28Å; K45-F50 HydrophobicContact CB-CD1 3.89Å; K45-F50 HydrophobicContact CB-CE1 3.72Å; K45-F50 HydrophobicContact CD-CE1 3.98Å; K45-F50 HydrophobicContact CD-CZ 3.99Å; K45-F50 HydrophobicContact CG-CD1 4.15Å; K45-F50 HydrophobicContact CG-CE1 3.84Å; K45-F50 HydrophobicContact CG-CZ 4.17Å; F50-W90 PolarHBondContact O-NE1 3.5Å; F50-W90 VanDerWaalsContact O-NE1 3.08Å; F50-D93 WeakPolarHBondContact CB-OD1 3.21Å; F50-H94 PolarHBondContact O-N 3.13Å
51	I	98.5	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.2	175.4	-57.8	177.7	0	0	0	108.3	T43 V44 V46 Y66 I69 W90 H94 A96 W215 F223	T43-I51 VanDerWaalsContact CA-O 3.27Å; T43-I51 WeakPolarHBondContact CA-O 3.45Å; V44-I51 HydrophobicContact CG2-CB 4.16Å; V44-I51 PolarHBondContact N-O 3.47Å; V44-I51 PolarHBondContact O-N 3.29Å; V46-I51 HydrophobicContact CB-CD1 4.36Å; V46-I51 HydrophobicContact CG1-CD1 3.88Å; V46-I51 HydrophobicContact CG2-CD1 3.52Å; V46-I51 HydrophobicContact CG2-CG1 3.92Å; I51-Y66 HydrophobicContact CG2-CD1 3.7Å; I51-Y66 HydrophobicContact CG2-CE1 4.34Å; I51-I69 HydrophobicContact CD1-CD1 4.22Å; I51-I69 HydrophobicContact CD1-CG1 4.19Å; I51-I69 HydrophobicContact CD1-CG2 3.65Å; I51-I69 HydrophobicContact CG2-CD1 4.35Å; I51-I69 HydrophobicContact CG2-CG1 4.13Å; I51-W90 HydrophobicContact CD1-CH2 4.06Å; I51-W90 HydrophobicContact CD1-CZ2 3.9Å; I51-W90 HydrophobicContact CG1-CH2 4.24Å; I51-W90 HydrophobicContact CG1-CZ2 3.57Å; I51-H94 WeakPolarHBondContact CA-O 3.37Å; I51-H94 HydrophobicContact CG1-CB 4.42Å; I51-A96 HydrophobicContact CG2-CB 3.58Å; I51-W215 HydrophobicContact CD1-CZ2 4.22Å; I51-F223 HydrophobicContact CD1-CZ 4.07Å
52	K	98.4	Very high	94.9	Very high	64 Å²	64	53.6 Å²	53.6	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118	178.9	-171.8	170.6	-172.5	170.9	0	110.8	H94 I95 A96 F97	K52-H94 PolarHBondContact N-O 3.08Å; K52-I95 HydrophobicContact CB-CD1 4.12Å; K52-I95 HydrophobicContact CD-CD1 4.05Å; K52-A96 PolarHBondContact O-N 3.04Å; K52-F97 HydrophobicContact CD-CZ 4.31Å; K52-F97 HydrophobicContact CG-CE1 4.11Å; K52-F97 HydrophobicContact CG-CZ 4.07Å; K52-F97 VanDerWaalsContact O-CE1 3.3Å; K52-F97 WeakPolarHBondContact O-CE1 3.36Å
53	G	98.1	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-175.8	177.8	0	0	0	0	0	112.8	Y41 H42 V65 Y66	Y41-G53 WeakPolarHBondContact CA-O 3.49Å; H42-G53 PolarHBondContact N-O 2.98Å; H42-G53 PolarHBondContact O-N 2.87Å; G53-V65 WeakPolarHBondContact CA-O 3.41Å; G53-Y66 VanDerWaalsContact CA-CE1 3.48Å; G53-Y66 VanDerWaalsContact N-CE1 3.27Å
54	R	97.5	Very high	95	Very high	70 Å²	70	48.6 Å²	48.6	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.8	178.8	-65.5	178.8	179.9	173.7	1.7	110.6	L38 Y41 Q64 V65 F97	L38-R54 HydrophobicContact CD1-CB 3.83Å; L38-R54 HydrophobicContact CD1-CG 3.94Å; Y41-R54 HydrophobicContact CD1-CG 4.24Å; Y41-R54 HydrophobicContact CE1-CG 4.15Å; R54-Q64 WeakPolarHBondContact O-CA 3.45Å; R54-V65 PolarHBondContact N-O 2.85Å; R54-V65 PolarHBondContact O-N 2.95Å; R54-F97 HydrophobicContact CG-CD1 3.79Å; R54-F97 HydrophobicContact CG-CE1 4.03Å; R54-F97 HydrophobicContact CG-CG 4.4Å
55	L	95.8	Very high	95.1	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.5	165.7	-65.1	179	0	0	0	108.6	D39 G40 H42 V63 Q64 Y136	D39-L55 HydrophobicContact CB-CB 4.48Å; D39-L55 PolarHBondContact N-O 3.27Å; G40-L55 PolarHBondContact N-O 2.86Å; G40-L55 PolarHBondContact O-N 3.22Å; H42-L55 HydrophobicContact CB-CD1 4.17Å; H42-L55 HydrophobicContact CB-CD2 3.82Å; H42-L55 HydrophobicContact CB-CG 3.91Å; L55-V63 WeakPolarHBondContact CA-O 3.5Å; L55-Q64 HydrophobicContact CD2-CB 3.77Å; L55-Y136 HydrophobicContact CD1-CD1 4.35Å; L55-Y136 HydrophobicContact CD1-CE1 4.02Å; L55-Y136 HydrophobicContact CD2-CD1 3.96Å; L55-Y136 HydrophobicContact CD2-CD2 3.75Å; L55-Y136 HydrophobicContact CD2-CE1 4.34Å; L55-Y136 HydrophobicContact CD2-CE2 4.14Å; L55-Y136 HydrophobicContact CD2-CG 3.64Å
56	W	94.5	Very high	95.1	Very high	11 Å²	11	42 Å²	42	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.3	175.8	-65.9	6.6	0	0	0	109.4	Q36 I58 Q62 V63 V65 T166 L170	Q36-W56 HydrophobicContact CG-CE3 4.29Å; Q36-W56 HydrophobicContact CG-CH2 4.18Å; Q36-W56 HydrophobicContact CG-CZ3 4.03Å; Q36-W56 VanDerWaalsContact NE2-CH2 3.31Å; Q36-W56 VanDerWaalsContact OE1-CH2 3.28Å; W56-I58 HydrophobicContact CE3-CD1 4.35Å; W56-Q62 CarbonylContact O-C 3.51Å; W56-Q62 WeakPolarHBondContact O-CA 3.36Å; W56-V63 HydrophobicContact CB-CG2 3.88Å; W56-V63 PolarHBondContact N-O 3.42Å; W56-V63 PolarHBondContact O-N 3.32Å; W56-V65 HydrophobicContact CD2-CG2 4.16Å; W56-V65 HydrophobicContact CE3-CG2 4.43Å; W56-V65 HydrophobicContact CG-CG2 4.37Å; W56-T166 HydrophobicContact CH2-CG2 3.83Å; W56-T166 HydrophobicContact CZ3-CG2 3.73Å; W56-L170 HydrophobicContact CE3-CD1 3.57Å; W56-L170 HydrophobicContact CZ3-CD1 3.73Å
57	N	91.4	Very high	95.2	Very high	55 Å²	55	42.1 Å²	42.1	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115	170.9	-169.7	-25.8	0	0	0	109.8	A37 D39 N60 R61	A37-N57 HydrophobicContact CB-CB 4.41Å; A37-N57 PolarHBondContact O-N 2.96Å; A37-N57 VanDerWaalsContact O-N 3.08Å; D39-N57 HydrophobicContact CB-CB 4.36Å; N57-N60 WeakPolarHBondContact OD1-CA 3.33Å; N57-N60 PolarHBondContact OD1-N 3.16Å; N57-R61 PolarHBondContact OD1-N 2.94Å
58	I	89	Confident	95.2	Very high	29 Å²	29	37.3 Å²	37.3	15%	0.149	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.8	177.7	-54.8	-179.5	0	0	0	108.1	W56 N60 R61 V63 L170 L175	W56-I58 HydrophobicContact CE3-CD1 4.35Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.5Å; I58-R61 PolarHBondContact N-O 3.48Å; I58-R61 PolarHBondContact O-N 3.2Å; I58-V63 HydrophobicContact CD1-CG2 3.97Å; I58-V63 HydrophobicContact CG1-CG2 4.29Å; I58-L170 HydrophobicContact CD1-CB 3.55Å; I58-L170 HydrophobicContact CD1-CD1 3.34Å; I58-L170 HydrophobicContact CD1-CG 4.02Å; I58-L175 HydrophobicContact CB-CD1 4.27Å; I58-L175 HydrophobicContact CG2-CD1 3.77Å
59	T	85.7	Confident	95.2	Very high	104 Å²	104	37.1 Å²	37.1	64%	0.638	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.2	-179.3	61.7	0	0	0	0	113.8	R61 L175	T59-R61 PolarHBondContact O-N 2.95Å; T59-L175 WeakPolarHBondContact OG1-CD1 3.01Å
60	N	85.3	Confident	95.3	Very high	155 Å²	155	37 Å²	37	83%	0.829	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	21.3	-177.5	-54.1	-41.6	0	0	0	114.6	N57 I58	N57-N60 WeakPolarHBondContact OD1-CA 3.33Å; N57-N60 PolarHBondContact OD1-N 3.16Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.5Å
61	R	90.5	Very high	95.3	Very high	84 Å²	84	32.5 Å²	32.5	32%	0.317	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.3	170.8	-64.1	-168.9	69	-168.9	0.5	109.3	N57 I58 T59 L175 N177	N57-R61 PolarHBondContact OD1-N 2.94Å; I58-R61 PolarHBondContact N-O 3.48Å; I58-R61 PolarHBondContact O-N 3.2Å; T59-R61 PolarHBondContact O-N 2.95Å; R61-L175 HydrophobicContact CB-CD2 3.88Å; R61-L175 PolarHBondContact NH1-O 3.46Å; R61-N177 PolarHBondContact NH1-OD1 3.4Å; R61-N177 PolarHBondContact NH2-OD1 2.97Å
62	Q	93.1	Very high	95.3	Very high	63 Å²	63	32.6 Å²	32.6	29%	0.294	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	136.4	175.5	-73.3	179.8	-10.6	0	0	110.5	D39 W56 Y136	D39-Q62 PolarHBondContact OD2-NE2 3.48Å; W56-Q62 CarbonylContact O-C 3.51Å; W56-Q62 WeakPolarHBondContact O-CA 3.36Å; Q62-Y136 HydrophobicContact CB-CD1 3.96Å; Q62-Y136 PolarHBondContact O-N 3.3Å; Q62-Y136 VanDerWaalsContact OE1-CE1 3.31Å
63	V	96.1	Very high	95.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.7	171.6	-60.5	0	0	0	0	108.7	L55 W56 I58 V65 S134 L170 V174 L175	L55-V63 WeakPolarHBondContact CA-O 3.5Å; W56-V63 HydrophobicContact CB-CG2 3.88Å; W56-V63 PolarHBondContact N-O 3.42Å; W56-V63 PolarHBondContact O-N 3.32Å; I58-V63 HydrophobicContact CD1-CG2 3.97Å; I58-V63 HydrophobicContact CG1-CG2 4.29Å; V63-V65 HydrophobicContact CG2-CG2 4.35Å; V63-S134 CarbonylContact C-O 3.55Å; V63-S134 WeakPolarHBondContact CA-O 3.48Å; V63-L170 HydrophobicContact CB-CD2 4.4Å; V63-L170 HydrophobicContact CG2-CD1 4.12Å; V63-L170 HydrophobicContact CG2-CD2 4.09Å; V63-V174 HydrophobicContact CB-CG1 4.24Å; V63-V174 HydrophobicContact CG1-CG1 3.76Å; V63-L175 HydrophobicContact CG1-CD2 3.76Å
64	Q	96.7	Very high	95.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.5	175	57.3	-178.4	-36.9	0	0	110	R54 L55 Y66 F133 S134 P135 Y136 F223 N224	R54-Q64 WeakPolarHBondContact O-CA 3.45Å; L55-Q64 HydrophobicContact CD2-CB 3.77Å; Q64-Y66 HydrophobicContact CB-CE2 3.77Å; Q64-Y66 HydrophobicContact CG-CE2 3.91Å; Q64-Y66 VanDerWaalsContact OE1-CE2 3.26Å; Q64-Y66 PolarHBondContact OE1-OH 3.46Å; Q64-F133 WeakPolarHBondContact O-CA 3.42Å; Q64-S134 WeakPolarHBondContact CG-O 3.39Å; Q64-S134 PolarHBondContact N-O 2.82Å; Q64-S134 PolarHBondContact O-N 3.3Å; Q64-P135 PolarHBondContact NE2-O 2.9Å; Q64-Y136 HydrophobicContact CB-CD2 4.43Å; Q64-F223 PolarHBondContact NE2-O 3.23Å; Q64-N224 PolarHBondContact NE2-ND2 3.26Å
65	V	98.2	Very high	95.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.5	-173.4	-179.7	0	0	0	0	109.2	G53 R54 W56 V63 L67 F133 L170	G53-V65 WeakPolarHBondContact CA-O 3.41Å; R54-V65 PolarHBondContact N-O 2.85Å; R54-V65 PolarHBondContact O-N 2.95Å; W56-V65 HydrophobicContact CD2-CG2 4.16Å; W56-V65 HydrophobicContact CE3-CG2 4.43Å; W56-V65 HydrophobicContact CG-CG2 4.37Å; V63-V65 HydrophobicContact CG2-CG2 4.35Å; V65-L67 HydrophobicContact CG1-CD1 4.4Å; V65-L67 HydrophobicContact CG1-CD2 3.73Å; V65-L67 HydrophobicContact CG1-CG 3.91Å; V65-F133 HydrophobicContact CB-CD1 4.37Å; V65-F133 HydrophobicContact CG1-CD1 3.73Å; V65-F133 HydrophobicContact CG1-CE1 3.68Å; V65-F133 HydrophobicContact CG2-CD1 4.07Å; V65-L170 HydrophobicContact CG2-CD1 4.24Å; V65-L170 HydrophobicContact CG2-CD2 4.42Å
66	Y	98.7	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.3	176.5	-55.8	-99.2	0	0	0	108.9	H42 V44 I51 G53 Q64 I69 A96 N131 I132 F223	H42-Y66 PolarHBondContact CD2-OH 2.95Å; V44-Y66 VanDerWaalsContact CG1-OH 3.31Å; V44-Y66 WeakPolarHBondContact CG1-OH 3.44Å; V44-Y66 HydrophobicContact CG2-CE1 3.97Å; I51-Y66 HydrophobicContact CG2-CD1 3.7Å; I51-Y66 HydrophobicContact CG2-CE1 4.34Å; G53-Y66 VanDerWaalsContact CA-CE1 3.48Å; G53-Y66 VanDerWaalsContact N-CE1 3.27Å; Q64-Y66 HydrophobicContact CB-CE2 3.77Å; Q64-Y66 HydrophobicContact CG-CE2 3.91Å; Q64-Y66 VanDerWaalsContact OE1-CE2 3.26Å; Q64-Y66 PolarHBondContact OE1-OH 3.46Å; Y66-I69 HydrophobicContact CG-CD1 4.5Å; Y66-A96 HydrophobicContact CD1-CB 4.35Å; Y66-N131 CarbonylContact O-C 3.53Å; Y66-N131 WeakPolarHBondContact O-CA 3.34Å; Y66-I132 PolarHBondContact N-O 3.46Å; Y66-I132 PolarHBondContact O-N 3.23Å; Y66-F223 HydrophobicContact CD1-CD1 4.48Å; Y66-F223 AromaticContact CD1-CE1 3.87Å; Y66-F223 HydrophobicContact CD1-CE1 3.87Å; Y66-F223 AromaticContact CD2-CD1 3.51Å; Y66-F223 HydrophobicContact CD2-CD1 3.51Å; Y66-F223 AromaticContact CD2-CE1 3.66Å; Y66-F223 HydrophobicContact CD2-CE1 3.66Å; Y66-F223 HydrophobicContact CE1-CD1 4.45Å; Y66-F223 HydrophobicContact CE1-CE1 4.05Å; Y66-F223 AromaticContact CE2-CD1 3.48Å; Y66-F223 HydrophobicContact CE2-CD1 3.48Å; Y66-F223 VanDerWaalsContact CE2-CD1 3.48Å; Y66-F223 AromaticContact CE2-CE1 3.86Å; Y66-F223 HydrophobicContact CE2-CE1 3.86Å; Y66-F223 HydrophobicContact CG-CD1 4.05Å; Y66-F223 AromaticContact CG-CE1 3.67Å; Y66-F223 HydrophobicContact CG-CE1 3.67Å; Y66-F223 AromaticContact CZ-CD1 3.98Å
67	L	98.6	Very high	95.4	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.7	-176	-52.4	-178.3	0	0	0	110.6	V65 A96 E98 Y99 N131 F133	V65-L67 HydrophobicContact CG1-CD1 4.4Å; V65-L67 HydrophobicContact CG1-CD2 3.73Å; V65-L67 HydrophobicContact CG1-CG 3.91Å; L67-A96 PolarHBondContact N-O 3.32Å; L67-A96 CarbonylContact O-C 3.56Å; L67-A96 WeakPolarHBondContact O-CA 3.16Å; L67-A96 VanDerWaalsContact O-CB 3.22Å; L67-A96 WeakPolarHBondContact O-CB 3.41Å; L67-E98 CarbonylContact C-O 3.52Å; L67-E98 WeakPolarHBondContact CB-O 3.41Å; L67-Y99 HydrophobicContact CD1-CD2 3.98Å; L67-Y99 HydrophobicContact CD1-CE2 3.87Å; L67-Y99 HydrophobicContact CD1-CG 4.39Å; L67-Y99 HydrophobicContact CD2-CD1 4.2Å; L67-Y99 HydrophobicContact CD2-CE1 3.74Å; L67-Y99 HydrophobicContact CD2-CE2 4.34Å; L67-N131 VanDerWaalsContact CA-OD1 3.29Å; L67-N131 WeakPolarHBondContact CA-OD1 3.38Å; L67-N131 HydrophobicContact CD2-CB 3.83Å; L67-F133 HydrophobicContact CD2-CE1 3.56Å; L67-F133 HydrophobicContact CD2-CZ 3.49Å; L67-F133 VanDerWaalsContact CD2-CZ 3.49Å
68	G	98.5	Very high	95.5	Very high	5 Å²	5	35.2 Å²	35.2	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69	41.8	173.9	0	0	0	0	0	114	H94 E98 Y129 L130 N131	G68-H94 PolarHBondContact O-NE2 3.15Å; G68-E98 PolarHBondContact N-O 3.45Å; G68-Y129 WeakPolarHBondContact O-CD1 3.29Å; G68-L130 PolarHBondContact N-O 2.94Å; G68-N131 PolarHBondContact N-OD1 3.33Å
69	I	98.8	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.1	173.4	-58.7	166.4	0	0	0	109.2	I51 Y66 Y71 A96 Y129 L130 I132 W215 F223	I51-I69 HydrophobicContact CD1-CD1 4.22Å; I51-I69 HydrophobicContact CD1-CG1 4.19Å; I51-I69 HydrophobicContact CD1-CG2 3.65Å; I51-I69 HydrophobicContact CG2-CD1 4.35Å; I51-I69 HydrophobicContact CG2-CG1 4.13Å; Y66-I69 HydrophobicContact CG-CD1 4.5Å; I69-Y71 PolarHBondContact O-N 3.35Å; I69-A96 HydrophobicContact CG1-CB 4.19Å; I69-Y129 CarbonylContact O-C 3.5Å; I69-Y129 VanDerWaalsContact O-CA 3.24Å; I69-Y129 WeakPolarHBondContact O-CA 3.46Å; I69-L130 HydrophobicContact CB-CD1 3.95Å; I69-L130 HydrophobicContact CB-CG 4.44Å; I69-L130 HydrophobicContact CD1-CD1 4.02Å; I69-L130 HydrophobicContact CG2-CD1 4.39Å; I69-L130 PolarHBondContact N-O 2.65Å; I69-L130 PolarHBondContact O-N 2.89Å; I69-I132 HydrophobicContact CD1-CD1 3.74Å; I69-I132 HydrophobicContact CD1-CG1 4.09Å; I69-W215 HydrophobicContact CD1-CH2 4.42Å; I69-W215 HydrophobicContact CG2-CH2 3.94Å; I69-W215 HydrophobicContact CG2-CZ2 3.62Å; I69-F223 HydrophobicContact CD1-CE1 4.09Å; I69-F223 HydrophobicContact CD1-CZ 4.05Å
70	P	98.7	Very high	96.4	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.071	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.2	176.8	29.5	-33.6	0	0	0	110.3	K87 W90 H94 Y129	P70-K87 HydrophobicContact CB-CD 4.06Å; P70-K87 HydrophobicContact CG-CD 4.4Å; P70-W90 HydrophobicContact CG-CZ3 4.05Å; P70-H94 WeakPolarHBondContact CD-NE2 3.44Å; P70-Y129 HydrophobicContact CB-CD1 3.91Å; P70-Y129 HydrophobicContact CB-CE1 3.71Å; P70-Y129 HydrophobicContact CG-CE1 4.31Å
71	Y	98.8	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.			trans	-96	-18.3	179.8	64.2	-102.6	0	0	0	113.3	I69 L128 L130 L183 N184 D208 E211 A212	I69-Y71 PolarHBondContact O-N 3.35Å; Y71-L128 VanDerWaalsContact CD1-O 3.32Å; Y71-L128 WeakPolarHBondContact CD1-O 3.48Å; Y71-L128 HydrophobicContact CE1-CB 4.1Å; Y71-L128 HydrophobicContact CE2-CB 3.92Å; Y71-L128 PolarHBondContact N-O 3.28Å; Y71-L128 VanDerWaalsContact N-O 3.14Å; Y71-L128 WeakPolarHBondContact OH-CD2 3.48Å; Y71-L130 HydrophobicContact CD1-CB 3.94Å; Y71-L130 HydrophobicContact CD1-CD2 3.88Å; Y71-L130 HydrophobicContact CD1-CG 3.97Å; Y71-L130 HydrophobicContact CE1-CB 4.49Å; Y71-L130 HydrophobicContact CG-CD2 4.07Å; Y71-L183 HydrophobicContact CE1-CB 4.47Å; Y71-N184 PolarHBondContact OH-O 2.86Å; Y71-D208 VanDerWaalsContact CE2-O 3.31Å; Y71-D208 WeakPolarHBondContact CE2-O 3.3Å; Y71-E211 HydrophobicContact CD2-CG 4.27Å; Y71-A212 HydrophobicContact CD1-CB 4.24Å; Y71-A212 HydrophobicContact CD2-CB 3.96Å; Y71-A212 HydrophobicContact CE1-CB 4.21Å; Y71-A212 HydrophobicContact CE2-CB 3.97Å; Y71-A212 HydrophobicContact CG-CB 4.11Å
72	A	98.8	Very high	97.1	Very high	2 Å²	2	24 Å²	24	2%	0.017	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-136.7	163.3	177.6	0	0	0	0	0	111.6	P84 I85 K87 L128 E211	A72-P84 HydrophobicContact CB-CB 3.9Å; A72-I85 CarbonylContact C-O 3.52Å; A72-I85 WeakPolarHBondContact CA-O 3.41Å; A72-I85 WeakPolarHBondContact CB-O 3.48Å; A72-K87 VanDerWaalsContact O-CD 3.31Å; A72-K87 WeakPolarHBondContact O-CD 3.1Å; A72-L128 HydrophobicContact CB-CB 4.11Å; A72-L128 HydrophobicContact CB-CD1 3.65Å; A72-E211 HydrophobicContact CB-CG 4.09Å
73	E	98.7	Very high	97.3	Very high	30 Å²	30	24.9 Å²	24.9	14%	0.14	14%	0.14	C	C	.	.			trans	-61.9	146.2	167.6	-68.6	-67.7	117.2	0	0	110.7	L79 I85 K87 K88	E73-L79 HydrophobicContact CB-CD1 4.16Å; E73-I85 HydrophobicContact CB-CB 4.28Å; E73-I85 HydrophobicContact CG-CB 4.37Å; E73-I85 HydrophobicContact CG-CG2 4.23Å; E73-I85 PolarHBondContact N-O 3.15Å; E73-K87 WeakPolarHBondContact OE1-CD 3.42Å; E73-K87 IonicContact OE1-NZ 2.67Å; E73-K87 PolarHBondContact OE1-NZ 2.84Å; E73-K87 IonicContact OE2-NZ 2.72Å; E73-K88 WeakPolarHBondContact OE1-CB 3.49Å; E73-K88 PolarHBondContact OE1-N 2.94Å
74	P	98.4	Very high	97.4	Very high	32 Å²	32	25.6 Å²	25.6	21%	0.208	14%	0.144	C	C	.	.			trans	-54.6	123.2	178.8	-28.6	36.6	0	0	0	111.9	I76 D126	P74-I76 HydrophobicContact CB-CD1 3.98Å; P74-I76 HydrophobicContact CB-CG1 3.94Å; P74-I76 HydrophobicContact CB-CG2 4.45Å; P74-I76 PolarHBondContact O-N 2.92Å; P74-D126 HydrophobicContact CB-CB 4.04Å; P74-D126 WeakPolarHBondContact CB-OD1 3.41Å; P74-D126 WeakPolarHBondContact CG-OD1 3.3Å
75	P	97.7	Very high	97.5	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.026	16%	0.163	C	C	.	.			trans	-81.9	48.1	-175.3	35.8	-38.5	0	0	0	112	R80 E125 L128 R186	P75-R80 WeakPolarHBondContact O-CA 3.36Å; P75-E125 WeakPolarHBondContact CG-O 3.3Å; P75-L128 HydrophobicContact CB-CD1 4.13Å; P75-L128 HydrophobicContact CG-CD1 3.73Å; P75-L128 HydrophobicContact CG-CD2 4.38Å; P75-L128 HydrophobicContact CG-CG 3.82Å; P75-R186 HydrophobicContact CG-CG 4.18Å
76	I	97.5	Very high	97.5	Very high	77 Å²	77	33.5 Å²	33.5	40%	0.395	18%	0.181	S	C	.	.			trans	-111.5	160.1	-172.3	65.1	180	0	0	0	111.8	P74 L79 E125 D126	P74-I76 HydrophobicContact CB-CD1 3.98Å; P74-I76 HydrophobicContact CB-CG1 3.94Å; P74-I76 HydrophobicContact CB-CG2 4.45Å; P74-I76 PolarHBondContact O-N 2.92Å; I76-L79 PolarHBondContact O-N 3.48Å; I76-E125 HydrophobicContact CG2-CB 3.62Å; I76-D126 HydrophobicContact CG2-CB 4.3Å
77	G	94.3	Very high	97.5	Very high	31 Å²	31	35.4 Å²	35.4	32%	0.32	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	55.8	-122.8	175.9	0	0	0	0	0	111.5	L79 R80	G77-L79 PolarHBondContact O-N 3.19Å; G77-L79 VanDerWaalsContact O-N 3.14Å; G77-R80 VanDerWaalsContact O-CB 3.25Å; G77-R80 WeakPolarHBondContact O-CB 3.38Å; G77-R80 PolarHBondContact O-N 3.49Å
78	P	93.6	Very high	97.5	Very high	95 Å²	95	41.1 Å²	41.1	62%	0.617	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-57.1	-28.1	177.1	-24.9	34.8	0	0	0	114.2	R80 Q82 K334	P78-R80 VanDerWaalsContact C-N 3.34Å; P78-Q82 PolarHBondContact O-NE2 2.67Å; P78-K334 WeakPolarHBondContact O-CE 3.34Å; P78-K334 PolarHBondContact O-NZ 2.77Å
79	L	96.4	Very high	97.5	Very high	46 Å²	46	45.8 Å²	45.8	24%	0.241	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-85.3	-5	-179.7	-58.6	-174.2	0	0	0	113.5	E73 I76 G77 Q82 I85	E73-L79 HydrophobicContact CB-CD1 4.16Å; I76-L79 PolarHBondContact O-N 3.48Å; G77-L79 PolarHBondContact O-N 3.19Å; G77-L79 VanDerWaalsContact O-N 3.14Å; L79-Q82 PolarHBondContact O-N 2.97Å; L79-I85 HydrophobicContact CD1-CD1 4.17Å; L79-I85 HydrophobicContact CD2-CD1 3.46Å; L79-I85 VanDerWaalsContact CD2-CD1 3.46Å; L79-I85 HydrophobicContact CG-CD1 4.45Å
80	R	97	Very high	97.4	Very high	25 Å²	25	48.1 Å²	48.1	9%	0.094	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	138.7	173	-170.7	-173.4	-72.5	167.9	-12.1	109.9	P75 G77 P78 Q82 E125 L190 K334 A337	P75-R80 WeakPolarHBondContact O-CA 3.36Å; G77-R80 VanDerWaalsContact O-CB 3.25Å; G77-R80 WeakPolarHBondContact O-CB 3.38Å; G77-R80 PolarHBondContact O-N 3.49Å; P78-R80 VanDerWaalsContact C-N 3.34Å; R80-Q82 VanDerWaalsContact C-N 3.26Å; R80-Q82 PolarHBondContact O-N 2.88Å; R80-E125 IonicContact CZ-OE1 2.88Å; R80-E125 IonicContact CZ-OE2 3.71Å; R80-E125 VanDerWaalsContact CZ-OE2 3.31Å; R80-E125 IonicContact NE-OE1 3.6Å; R80-E125 IonicContact NE-OE2 2.67Å; R80-E125 PolarHBondContact NE-OE2 3.39Å; R80-E125 IonicContact NH2-OE1 3.31Å; R80-E125 PolarHBondContact NH2-OE1 2.88Å; R80-E125 IonicContact NH2-OE2 3.41Å; R80-E125 PolarHBondContact NH2-OE2 3.28Å; R80-L190 HydrophobicContact CG-CD2 4.09Å; R80-K334 HydrophobicContact CB-CG 4.26Å; R80-K334 PolarHBondContact NH1-O 2.93Å; R80-K334 WeakPolarHBondContact O-CE 3.44Å; R80-A337 PolarHBondContact NH1-O 2.77Å
81	F	96.2	Very high	97.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	36.1	-176.3	-47	-50.1	0	0	0	114.4	P189 L190 L193 F204 Y330 I333 K334 F339	F81-P189 VanDerWaalsContact CE1-O 3.29Å; F81-P189 WeakPolarHBondContact CE1-O 3.39Å; F81-L190 HydrophobicContact CE1-CD2 4.11Å; F81-L190 HydrophobicContact CZ-CD2 4.48Å; F81-L193 HydrophobicContact CD1-CB 4.19Å; F81-L193 HydrophobicContact CD1-CD2 3.77Å; F81-L193 HydrophobicContact CD2-CD2 3.88Å; F81-L193 HydrophobicContact CE1-CB 4.24Å; F81-L193 HydrophobicContact CE1-CD2 3.82Å; F81-L193 HydrophobicContact CE2-CD2 3.94Å; F81-L193 HydrophobicContact CG-CD2 3.81Å; F81-L193 HydrophobicContact CZ-CD2 3.9Å; F81-F204 VanDerWaalsContact C-CE1 3.45Å; F81-F204 VanDerWaalsContact C-CZ 3.44Å; F81-F204 HydrophobicContact CB-CD2 4.49Å; F81-F204 HydrophobicContact CB-CE2 3.8Å; F81-F204 HydrophobicContact CB-CZ 3.98Å; F81-F204 HydrophobicContact CD1-CD2 4.5Å; F81-F204 HydrophobicContact CD1-CE2 4.29Å; F81-F204 HydrophobicContact CG-CE2 4.48Å; F81-F204 WeakPolarHBondContact O-CE1 3.45Å; F81-F204 WeakPolarHBondContact O-CZ 3.49Å; F81-Y330 HydrophobicContact CB-CE2 3.62Å; F81-Y330 WeakPolarHBondContact CB-OH 3.48Å; F81-Y330 HydrophobicContact CD2-CE2 4.17Å; F81-Y330 HydrophobicContact CG-CE2 4.26Å; F81-Y330 PolarHBondContact O-OH 2.93Å; F81-I333 HydrophobicContact CE2-CB 4.48Å; F81-I333 HydrophobicContact CE2-CG2 3.78Å; F81-I333 HydrophobicContact CZ-CG2 4.05Å; F81-K334 HydrophobicContact CD2-CB 3.89Å; F81-K334 HydrophobicContact CD2-CG 4.19Å; F81-K334 HydrophobicContact CE2-CB 4.23Å; F81-F339 HydrophobicContact CE2-CE2 4.47Å; F81-F339 AromaticContact CZ-CE2 3.67Å; F81-F339 HydrophobicContact CZ-CE2 3.67Å; F81-F339 AromaticContact CZ-CZ 3.89Å; F81-F339 HydrophobicContact CZ-CZ 3.89Å
82	Q	95.3	Very high	96.9	Very high	66 Å²	66	59.4 Å²	59.4	31%	0.308	32%	0.317	S	S	.	.	S	Bend	trans	-120.3	164.3	167.9	-57	-166	23.6	0	0	110.4	P78 L79 R80 R186 F204	P78-Q82 PolarHBondContact O-NE2 2.67Å; L79-Q82 PolarHBondContact O-N 2.97Å; R80-Q82 VanDerWaalsContact C-N 3.26Å; R80-Q82 PolarHBondContact O-N 2.88Å; Q82-R186 PolarHBondContact O-NH1 3.12Å; Q82-R186 PolarHBondContact O-NH2 2.88Å; Q82-F204 VanDerWaalsContact C-CD1 3.48Å; Q82-F204 WeakPolarHBondContact O-CD1 3.43Å
83	K	97	Very high	96.7	Very high	82 Å²	82	63.2 Å²	63.2	36%	0.357	34%	0.337	S	S	.	.			trans	-54.2	143.9	164.9	-62.9	-171.5	-174.7	-172	0	109.1	W207 E378	K83-W207 HydrophobicContact CD-CD2 3.83Å; K83-W207 HydrophobicContact CD-CE3 4.19Å; K83-W207 HydrophobicContact CD-CG 4.23Å; K83-W207 HydrophobicContact CD-CZ2 4.18Å; K83-W207 HydrophobicContact CD-CZ3 4.5Å; K83-W207 VanDerWaalsContact CE-CE2 3.41Å; K83-W207 HydrophobicContact CG-CD2 4.12Å; K83-W207 HydrophobicContact CG-CG 3.96Å; K83-E378 IonicContact NZ-OE2 3.97Å; K83-E378 PolarHBondContact NZ-OE2 2.86Å
84	P	98.3	Very high	96.7	Very high	16 Å²	16	64 Å²	64	10%	0.104	34%	0.341	C	S	.	.			trans	-56.8	146.7	173	31.3	-38.1	0	0	0	109.5	A72 L128 W207 D208 E211	A72-P84 HydrophobicContact CB-CB 3.9Å; P84-L128 HydrophobicContact CB-CD1 4.04Å; P84-W207 HydrophobicContact CG-CB 4.25Å; P84-W207 WeakPolarHBondContact CG-O 3.5Å; P84-D208 WeakPolarHBondContact CB-OD1 3.38Å; P84-E211 HydrophobicContact CB-CB 4.08Å; P84-E211 HydrophobicContact CB-CG 4.19Å; P84-E211 HydrophobicContact CG-CB 3.53Å; P84-E211 HydrophobicContact CG-CG 4.12Å
85	I	98.2	Very high	96.7	Very high	76 Å²	76	66.9 Å²	66.9	39%	0.39	35%	0.353	S	S	.	.			trans	-105.7	134	175.5	-62.7	-178.6	0	0	0	107.4	A72 E73 L79 K87	A72-I85 CarbonylContact C-O 3.52Å; A72-I85 WeakPolarHBondContact CA-O 3.41Å; A72-I85 WeakPolarHBondContact CB-O 3.48Å; E73-I85 HydrophobicContact CB-CB 4.28Å; E73-I85 HydrophobicContact CG-CB 4.37Å; E73-I85 HydrophobicContact CG-CG2 4.23Å; E73-I85 PolarHBondContact N-O 3.15Å; L79-I85 HydrophobicContact CD1-CD1 4.17Å; L79-I85 HydrophobicContact CD2-CD1 3.46Å; L79-I85 VanDerWaalsContact CD2-CD1 3.46Å; L79-I85 HydrophobicContact CG-CD1 4.45Å; I85-K87 PolarHBondContact O-N 3.4Å
86	K	98.4	Very high	96.7	Very high	92 Å²	92	66.7 Å²	66.7	40%	0.4	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-46	131.1	174.6	-173.7	176.2	-170.8	179.7	0	111.9	E47 K88 E211	E47-K86 WeakPolarHBondContact OE1-CE 3.43Å; E47-K86 IonicContact OE1-NZ 3.46Å; E47-K86 PolarHBondContact OE1-NZ 3.43Å; E47-K86 WeakPolarHBondContact OE2-CE 3.34Å; E47-K86 IonicContact OE2-NZ 2.65Å; E47-K86 PolarHBondContact OE2-NZ 2.9Å; K86-K88 PolarHBondContact O-N 3.19Å; K86-E211 VanDerWaalsContact CA-OE1 3.24Å; K86-E211 WeakPolarHBondContact CA-OE1 3.47Å; K86-E211 WeakPolarHBondContact CB-OE1 3.43Å
87	K	98.4	Very high	96.7	Very high	41 Å²	41	64.8 Å²	64.8	18%	0.178	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.9	129.3	-179.1	-173.1	69.6	-166	118.5	0	111.4	Q48 P70 A72 E73 I85 W90	Q48-K87 HydrophobicContact CG-CB 4.1Å; Q48-K87 HydrophobicContact CG-CG 4.1Å; Q48-K87 WeakPolarHBondContact CG-O 3.44Å; P70-K87 HydrophobicContact CB-CD 4.06Å; P70-K87 HydrophobicContact CG-CD 4.4Å; A72-K87 VanDerWaalsContact O-CD 3.31Å; A72-K87 WeakPolarHBondContact O-CD 3.1Å; E73-K87 WeakPolarHBondContact OE1-CD 3.42Å; E73-K87 IonicContact OE1-NZ 2.67Å; E73-K87 PolarHBondContact OE1-NZ 2.84Å; E73-K87 IonicContact OE2-NZ 2.72Å; I85-K87 PolarHBondContact O-N 3.4Å; K87-W90 HydrophobicContact CG-CE3 4.24Å; K87-W90 HydrophobicContact CG-CZ3 3.9Å
88	K	98.1	Very high	96.9	Very high	132 Å²	132	70 Å²	70	57%	0.574	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-72.8	154.5	174.1	-66.8	174.9	-175.2	168.4	0	111.3	E73 K86	E73-K88 WeakPolarHBondContact OE1-CB 3.49Å; E73-K88 PolarHBondContact OE1-N 2.94Å; K86-K88 PolarHBondContact O-N 3.19Å
89	P	98.2	Very high	97.1	Very high	104 Å²	104	67 Å²	67	68%	0.675	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-55.7	145	171.9	-24.7	34.5	0	0	0	112.9	Q48	Q48-P89 CarbonylContact O-C 3.51Å; Q48-P89 WeakPolarHBondContact O-CA 3.34Å; Q48-P89 WeakPolarHBondContact O-CB 3.43Å
90	W	97	Very high	97.2	Very high	48 Å²	48	65 Å²	65	18%	0.182	33%	0.325	C	S	.	.			trans	-113.5	156.6	173.4	56.6	78.7	0	0	0	111.1	V46 Q48 F50 I51 P70 K87 H94	V46-W90 HydrophobicContact CG2-CH2 4.08Å; V46-W90 HydrophobicContact CG2-CZ2 3.97Å; Q48-W90 HydrophobicContact CB-CD2 4.09Å; Q48-W90 HydrophobicContact CB-CE3 3.5Å; Q48-W90 VanDerWaalsContact CB-CE3 3.5Å; Q48-W90 HydrophobicContact CB-CH2 3.38Å; Q48-W90 HydrophobicContact CB-CZ2 3.93Å; Q48-W90 HydrophobicContact CB-CZ3 3.14Å; Q48-W90 HydrophobicContact CG-CE3 4.29Å; Q48-W90 HydrophobicContact CG-CH2 4.21Å; Q48-W90 HydrophobicContact CG-CZ3 3.74Å; Q48-W90 PolarHBondContact O-N 3.45Å; F50-W90 PolarHBondContact O-NE1 3.5Å; F50-W90 VanDerWaalsContact O-NE1 3.08Å; I51-W90 HydrophobicContact CD1-CH2 4.06Å; I51-W90 HydrophobicContact CD1-CZ2 3.9Å; I51-W90 HydrophobicContact CG1-CH2 4.24Å; I51-W90 HydrophobicContact CG1-CZ2 3.57Å; P70-W90 HydrophobicContact CG-CZ3 4.05Å; K87-W90 HydrophobicContact CG-CE3 4.24Å; K87-W90 HydrophobicContact CG-CZ3 3.9Å; W90-H94 HydrophobicContact CZ2-CB 4.02Å
91	E	94.7	Very high	97.2	Very high	199 Å²	199	64.5 Å²	64.5	93%	0.93	33%	0.325	S	S	*	.	S	Bend	trans	-90.2	140.3	174.8	-65.1	-175.3	176.3	0	0	110.7
92	G	93.8	Very high	97.3	Very high	49 Å²	49	64.5 Å²	64.5	51%	0.505	33%	0.325	S	S	.	.	S	Bend	trans	75.2	-168.3	-179.4	0	0	0	0	0	114.2
93	D	94.5	Very high	97.5	Very high	82 Å²	82	61.5 Å²	61.5	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.1	-179.7	-64	-0.8	0	0	0	110.1	F50 I95	F50-D93 WeakPolarHBondContact CB-OD1 3.21Å; D93-I95 HydrophobicContact CB-CD1 4.33Å; D93-I95 PolarHBondContact O-N 2.91Å
94	H	97.9	Very high	97.5	Very high	48 Å²	48	57.9 Å²	57.9	22%	0.222	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.5	166.4	-176.7	73.1	0	0	0	109.5	F50 I51 K52 G68 P70 W90 A96	F50-H94 PolarHBondContact O-N 3.13Å; I51-H94 WeakPolarHBondContact CA-O 3.37Å; I51-H94 HydrophobicContact CG1-CB 4.42Å; K52-H94 PolarHBondContact N-O 3.08Å; G68-H94 PolarHBondContact O-NE2 3.15Å; P70-H94 WeakPolarHBondContact CD-NE2 3.44Å; W90-H94 HydrophobicContact CZ2-CB 4.02Å; H94-A96 PolarHBondContact O-N 3.29Å
95	I	98.2	Very high	97.4	Very high	91 Å²	91	57.3 Å²	57.3	47%	0.467	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	102.2	-177.8	-55.1	-57.3	0	0	0	109.7	K52 D93 F97	K52-I95 HydrophobicContact CB-CD1 4.12Å; K52-I95 HydrophobicContact CD-CD1 4.05Å; D93-I95 HydrophobicContact CB-CD1 4.33Å; D93-I95 PolarHBondContact O-N 2.91Å; I95-F97 HydrophobicContact CG2-CB 4.24Å; I95-F97 HydrophobicContact CG2-CD1 4.08Å; I95-F97 HydrophobicContact CG2-CD2 3.32Å; I95-F97 HydrophobicContact CG2-CE1 4.21Å; I95-F97 HydrophobicContact CG2-CE2 3.5Å; I95-F97 VanDerWaalsContact CG2-CE2 3.5Å; I95-F97 HydrophobicContact CG2-CG 3.63Å; I95-F97 HydrophobicContact CG2-CZ 3.93Å; I95-F97 PolarHBondContact O-N 3.19Å
96	A	98.2	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.			trans	-98.3	57.3	-173.4	0	0	0	0	0	112.3	I51 K52 Y66 L67 I69 H94	I51-A96 HydrophobicContact CG2-CB 3.58Å; K52-A96 PolarHBondContact O-N 3.04Å; Y66-A96 HydrophobicContact CD1-CB 4.35Å; L67-A96 PolarHBondContact N-O 3.32Å; L67-A96 CarbonylContact O-C 3.56Å; L67-A96 WeakPolarHBondContact O-CA 3.16Å; L67-A96 VanDerWaalsContact O-CB 3.22Å; L67-A96 WeakPolarHBondContact O-CB 3.41Å; I69-A96 HydrophobicContact CG1-CB 4.19Å; H94-A96 PolarHBondContact O-N 3.29Å
97	F	97.8	Very high	96.8	Very high	38 Å²	38	49.8 Å²	49.8	17%	0.167	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-103.5	-14.7	-173.3	-67.7	-9.1	0	0	0	114.9	Y41 K52 R54 I95	Y41-F97 AromaticContact CD1-CE1 3.6Å; Y41-F97 HydrophobicContact CD1-CE1 3.6Å; Y41-F97 HydrophobicContact CD1-CE2 4.16Å; Y41-F97 AromaticContact CD1-CZ 3.28Å; Y41-F97 HydrophobicContact CD1-CZ 3.28Å; Y41-F97 AromaticContact CE1-CE1 3.82Å; Y41-F97 HydrophobicContact CE1-CE1 3.82Å; Y41-F97 AromaticContact CE1-CE2 3.64Å; Y41-F97 HydrophobicContact CE1-CE2 3.64Å; Y41-F97 AromaticContact CE1-CZ 3.24Å; Y41-F97 HydrophobicContact CE1-CZ 3.24Å; Y41-F97 HydrophobicContact CG-CZ 4.39Å; K52-F97 HydrophobicContact CD-CZ 4.31Å; K52-F97 HydrophobicContact CG-CE1 4.11Å; K52-F97 HydrophobicContact CG-CZ 4.07Å; K52-F97 VanDerWaalsContact O-CE1 3.3Å; K52-F97 WeakPolarHBondContact O-CE1 3.36Å; R54-F97 HydrophobicContact CG-CD1 3.79Å; R54-F97 HydrophobicContact CG-CE1 4.03Å; R54-F97 HydrophobicContact CG-CG 4.4Å; I95-F97 HydrophobicContact CG2-CB 4.24Å; I95-F97 HydrophobicContact CG2-CD1 4.08Å; I95-F97 HydrophobicContact CG2-CD2 3.32Å; I95-F97 HydrophobicContact CG2-CE1 4.21Å; I95-F97 HydrophobicContact CG2-CE2 3.5Å; I95-F97 VanDerWaalsContact CG2-CE2 3.5Å; I95-F97 HydrophobicContact CG2-CG 3.63Å; I95-F97 HydrophobicContact CG2-CZ 3.93Å; I95-F97 PolarHBondContact O-N 3.19Å
98	E	97.3	Very high	96.1	Very high	139 Å²	139	50.6 Å²	50.6	65%	0.65	26%	0.262	S	S	*	.	S	Bend	trans	-134.4	148.1	-176.5	-65.1	-175.8	-175.8	0	0	109.8	L67 G68 G100	L67-E98 CarbonylContact C-O 3.52Å; L67-E98 WeakPolarHBondContact CB-O 3.41Å; G68-E98 PolarHBondContact N-O 3.45Å; E98-G100 PolarHBondContact O-N 3.38Å
99	Y	98.4	Very high	95.4	Very high	33 Å²	33	49.1 Å²	49.1	13%	0.129	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-57.6	139.1	173.6	-71	-79.2	0	0	0	111	L67 R122 N131 F133 D161 T166	L67-Y99 HydrophobicContact CD1-CD2 3.98Å; L67-Y99 HydrophobicContact CD1-CE2 3.87Å; L67-Y99 HydrophobicContact CD1-CG 4.39Å; L67-Y99 HydrophobicContact CD2-CD1 4.2Å; L67-Y99 HydrophobicContact CD2-CE1 3.74Å; L67-Y99 HydrophobicContact CD2-CE2 4.34Å; Y99-R122 PolarHBondContact O-NH2 2.84Å; Y99-N131 VanDerWaalsContact CD1-CG 3.44Å; Y99-N131 WeakPolarHBondContact CD1-ND2 3.39Å; Y99-N131 VanDerWaalsContact CD1-OD1 3.25Å; Y99-N131 WeakPolarHBondContact CD1-OD1 3.2Å; Y99-N131 HydrophobicContact CE1-CB 4.2Å; Y99-F133 HydrophobicContact CE1-CZ 4.1Å; Y99-F133 WeakPolarHBondContact OH-CZ 3.35Å; Y99-D161 HydrophobicContact CD1-CB 3.81Å; Y99-D161 HydrophobicContact CD2-CB 4.03Å; Y99-D161 HydrophobicContact CE1-CB 3.81Å; Y99-D161 HydrophobicContact CE2-CB 4.03Å; Y99-D161 HydrophobicContact CG-CB 3.93Å; Y99-T166 PolarHBondContact OH-OG1 3.12Å
100	G	98	Very high	94.9	Very high	5 Å²	5	45.6 Å²	45.6	5%	0.052	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-58.6	157	169.4	0	0	0	0	0	111.4	E98 N119	E98-G100 PolarHBondContact O-N 3.38Å; G100-N119 PolarHBondContact O-ND2 2.99Å
101	P	98.3	Very high	94.4	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.091	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-59.7	135.7	175.1	27.9	-36	0	0	0	110.6	R122 K124 D126 C127 Y129 N184	P101-R122 WeakPolarHBondContact CB-O 3.47Å; P101-K124 HydrophobicContact CB-CB 4.19Å; P101-K124 HydrophobicContact CB-CD 4.35Å; P101-K124 HydrophobicContact CB-CG 4.27Å; P101-K124 HydrophobicContact CG-CB 4.32Å; P101-K124 HydrophobicContact CG-CD 4.34Å; P101-D126 WeakPolarHBondContact CG-O 3.37Å; P101-C127 WeakPolarHBondContact O-CB 3.47Å; P101-Y129 HydrophobicContact CG-CD2 4.29Å; P101-Y129 HydrophobicContact CG-CE2 3.89Å; P101-N184 PolarHBondContact O-ND2 3.21Å
102	P	98.2	Very high	94	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.6	151.6	169.7	-32.6	41.9	0	0	0	111.9	N119 M120 Q123 K124	P102-N119 WeakPolarHBondContact CD-O 3.45Å; P102-N119 WeakPolarHBondContact CD-OD1 3.38Å; P102-M120 HydrophobicContact CB-CE 4.27Å; P102-M120 HydrophobicContact CB-SD 3.76Å; P102-M120 HydrophobicContact CG-CE 4.33Å; P102-M120 HydrophobicContact CG-SD 4.06Å; P102-Q123 HydrophobicContact CB-CB 4.41Å; P102-Q123 CarbonylContact O-C 2.99Å; P102-Q123 WeakPolarHBondContact O-CA 3.35Å; P102-K124 PolarHBondContact O-N 2.8Å
103	C	98.4	Very high	93.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.02	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-65.4	157.8	169.2	-64.9	0	0	0	0	110.8	Q105 K124 C127 Y185 L187	C103-Q105 PolarHBondContact O-N 3.4Å; C103-Q105 PolarHBondContact O-NE2 3.03Å; C103-K124 WeakPolarHBondContact CA-O 3.24Å; C103-C127 VanDerWaalsContact CA-CB 3.45Å; C103-C127 WeakPolarHBondContact CA-SG 3.41Å; C103-C127 HydrophobicContact CB-CB 3.81Å; C103-C127 WeakPolarHBondContact CB-SG 3.11Å; C103-C127 WeakPolarHBondContact SG-CB 3.31Å; C103-C127 CovalentContact SG-SG 2.03Å; C103-C127 PolarHBondContact SG-SG 2.96Å; C103-Y185 PolarHBondContact SG-O 3.04Å; C103-L187 HydrophobicContact CB-CD1 4.3Å; C103-L187 HydrophobicContact CB-CG 4.45Å
104	I	97.6	Very high	93.5	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-56.5	125.6	175.9	-60.6	-60.6	0	0	0	110.3	F106 Q123 K124 E125 L190 F339 R345	I104-F106 HydrophobicContact CB-CE2 4.29Å; I104-F106 HydrophobicContact CG2-CE2 3.76Å; I104-F106 HydrophobicContact CG2-CZ 3.77Å; I104-Q123 HydrophobicContact CD1-CB 4.37Å; I104-Q123 HydrophobicContact CD1-CG 4.3Å; I104-Q123 VanDerWaalsContact CD1-NE2 3.34Å; I104-K124 PolarHBondContact N-O 3.08Å; I104-E125 HydrophobicContact CG1-CG 3.92Å; I104-L190 HydrophobicContact CB-CD1 3.83Å; I104-L190 HydrophobicContact CG1-CD1 3.96Å; I104-L190 HydrophobicContact CG2-CD1 4.41Å; I104-F339 WeakPolarHBondContact CG2-O 3.38Å; I104-R345 HydrophobicContact CG2-CG 4.43Å
105	Q	95.9	Very high	93.2	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.023	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-93.1	140.3	-177.1	-49.8	-73.1	-65	0	0	111.4	C103 M120 G158 R345	C103-Q105 PolarHBondContact O-N 3.4Å; C103-Q105 PolarHBondContact O-NE2 3.03Å; Q105-M120 VanDerWaalsContact CD-SD 3.53Å; Q105-M120 HydrophobicContact CG-CG 4.49Å; Q105-M120 HydrophobicContact CG-SD 3.43Å; Q105-M120 WeakPolarHBondContact CG-SD 3.39Å; Q105-G158 PolarHBondContact NE2-O 2.85Å; Q105-R345 WeakPolarHBondContact O-CD 3.39Å; Q105-R345 PolarHBondContact O-NH1 3.28Å; Q105-R345 VanDerWaalsContact O-NH1 3.17Å
106	F	93.6	Very high	93	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-121.2	14.1	174.9	-61.2	-89.2	0	0	0	112.3	I104 L156 P189 L190 F339 R345 F348 T349	I104-F106 HydrophobicContact CB-CE2 4.29Å; I104-F106 HydrophobicContact CG2-CE2 3.76Å; I104-F106 HydrophobicContact CG2-CZ 3.77Å; F106-L156 HydrophobicContact CB-CB 4.37Å; F106-L156 HydrophobicContact CB-CD2 3.83Å; F106-L156 PolarHBondContact N-O 2.88Å; F106-P189 HydrophobicContact CD1-CG 4.22Å; F106-P189 HydrophobicContact CE1-CG 3.59Å; F106-P189 HydrophobicContact CE2-CG 3.93Å; F106-P189 HydrophobicContact CZ-CG 3.42Å; F106-P189 VanDerWaalsContact CZ-CG 3.42Å; F106-L190 HydrophobicContact CE2-CD1 4.41Å; F106-L190 HydrophobicContact CZ-CD1 4.48Å; F106-F339 HydrophobicContact CE1-CD1 4.13Å; F106-F339 HydrophobicContact CZ-CB 4.25Å; F106-F339 AromaticContact CZ-CD1 3.97Å; F106-F339 HydrophobicContact CZ-CD1 3.97Å; F106-F339 HydrophobicContact CZ-CG 4.43Å; F106-R345 HydrophobicContact CD1-CG 4.3Å; F106-R345 HydrophobicContact CE1-CG 4.08Å; F106-F348 HydrophobicContact CD1-CB 4.44Å; F106-F348 HydrophobicContact CD1-CD2 4.14Å; F106-F348 HydrophobicContact CE1-CD2 4.3Å; F106-T349 VanDerWaalsContact C-OG1 3.24Å; F106-T349 WeakPolarHBondContact O-CA 3.37Å; F106-T349 PolarHBondContact O-OG1 3.41Å; F106-T349 VanDerWaalsContact O-OG1 3.06Å
107	M	90	Very high	92.7	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.044	20%	0.199	C	C	.	.	S	Bend	trans	-144.7	148.8	160.5	-62.2	-177.2	84.2	0	0	109.1	F109 L156 A157 T349 V352	M107-F109 HydrophobicContact CB-CD2 4.46Å; M107-F109 HydrophobicContact CB-CG 4.47Å; M107-F109 HydrophobicContact CE-CD1 4.45Å; M107-F109 HydrophobicContact CE-CE1 3.48Å; M107-F109 VanDerWaalsContact CE-CE1 3.48Å; M107-F109 HydrophobicContact CE-CE2 3.84Å; M107-F109 HydrophobicContact CE-CZ 3.12Å; M107-F109 PolarHBondContact O-N 3.34Å; M107-F109 HydrophobicContact SD-CE1 4.4Å; M107-F109 HydrophobicContact SD-CE2 3.77Å; M107-F109 HydrophobicContact SD-CZ 3.72Å; M107-L156 HydrophobicContact CB-CB 4.47Å; M107-L156 HydrophobicContact CG-CB 3.75Å; M107-L156 HydrophobicContact CG-CD1 3.95Å; M107-L156 HydrophobicContact CG-CG 4.5Å; M107-L156 HydrophobicContact SD-CB 4Å; M107-L156 HydrophobicContact SD-CD1 3.73Å; M107-A157 HydrophobicContact CB-CB 3.87Å; M107-A157 WeakPolarHBondContact O-CB 3.33Å; M107-T349 HydrophobicContact CB-CG2 4.48Å; M107-V352 HydrophobicContact CE-CG1 4.49Å; M107-V352 HydrophobicContact SD-CG1 4.42Å
108	D	84.2	Confident	92.5	Very high	58 Å²	58	46 Å²	46	31%	0.31	22%	0.221	S	C	.	.			trans	-97.3	20.7	-169.1	-56.5	-24.4	0	0	0	113.1	H110 E111	D108-H110 PolarHBondContact O-N 2.92Å; D108-H110 VanDerWaalsContact O-N 3.08Å; D108-E111 HydrophobicContact CB-CB 4.33Å; D108-E111 PolarHBondContact O-N 3.18Å; D108-E111 VanDerWaalsContact O-N 3.16Å
109	F	83.9	Confident	92.4	Very high	101 Å²	101	39.8 Å²	39.8	44%	0.443	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.3	-174.7	-68	-20.6	0	0	0	114.4	M107 A157	M107-F109 HydrophobicContact CB-CD2 4.46Å; M107-F109 HydrophobicContact CB-CG 4.47Å; M107-F109 HydrophobicContact CE-CD1 4.45Å; M107-F109 HydrophobicContact CE-CE1 3.48Å; M107-F109 VanDerWaalsContact CE-CE1 3.48Å; M107-F109 HydrophobicContact CE-CE2 3.84Å; M107-F109 HydrophobicContact CE-CZ 3.12Å; M107-F109 PolarHBondContact O-N 3.34Å; M107-F109 HydrophobicContact SD-CE1 4.4Å; M107-F109 HydrophobicContact SD-CE2 3.77Å; M107-F109 HydrophobicContact SD-CZ 3.72Å; F109-A157 HydrophobicContact CD2-CB 4.36Å
110	H	87.8	Confident	92.3	Very high	31 Å²	31	38.7 Å²	38.7	14%	0.144	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	11.9	-174.6	-58.4	-72.3	0	0	0	113.2	D108 H112 D113 M120	D108-H110 PolarHBondContact O-N 2.92Å; D108-H110 VanDerWaalsContact O-N 3.08Å; H110-H112 PolarHBondContact O-N 2.96Å; H110-D113 HydrophobicContact CB-CB 3.94Å; H110-D113 IonicContact ND1-OD2 2.9Å; H110-D113 PolarHBondContact ND1-OD2 3.48Å; H110-D113 WeakPolarHBondContact O-CB 3.45Å; H110-D113 PolarHBondContact O-N 3.39Å; H110-M120 HydrophobicContact CB-CE 3.71Å
111	E	86.4	Confident	92.1	Very high	101 Å²	101	46.8 Å²	46.8	47%	0.472	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.3	179.2	-169.3	-171.7	171.6	0	0	111.9	D108	D108-E111 HydrophobicContact CB-CB 4.33Å; D108-E111 PolarHBondContact O-N 3.18Å; D108-E111 VanDerWaalsContact O-N 3.16Å
112	H	85.1	Confident	92	Very high	122 Å²	122	50.9 Å²	50.9	57%	0.565	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.2	22.4	-179.7	-58.4	-24.1	0	0	0	112.5	H110	H110-H112 PolarHBondContact O-N 2.96Å
113	D	89.3	Confident	91.9	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.032	24%	0.244	C	C	.	.			trans	-58.8	136.9	176.7	-178	-90.3	0	0	0	111.1	H110 F115 S116 G117 G163 S564	H110-D113 HydrophobicContact CB-CB 3.94Å; H110-D113 IonicContact ND1-OD2 2.9Å; H110-D113 PolarHBondContact ND1-OD2 3.48Å; H110-D113 WeakPolarHBondContact O-CB 3.45Å; H110-D113 PolarHBondContact O-N 3.39Å; D113-F115 PolarHBondContact O-N 3.36Å; D113-F115 PolarHBondContact OD1-N 3.06Å; D113-F115 VanDerWaalsContact OD1-N 3.07Å; D113-S116 VanDerWaalsContact CB-OG 3.29Å; D113-S116 WeakPolarHBondContact CB-OG 3.36Å; D113-S116 PolarHBondContact OD1-N 2.77Å; D113-S116 PolarHBondContact OD1-OG 3.33Å; D113-G117 VanDerWaalsContact O-CA 3.23Å; D113-G117 WeakPolarHBondContact O-CA 3.5Å; D113-G117 PolarHBondContact O-N 3.26Å; D113-G163 PolarHBondContact OD2-N 3.44Å; D113-S564 WeakPolarHBondContact CA-O 3.43Å; D113-S564 WeakPolarHBondContact OD2-CB 3.47Å; D113-S564 PolarHBondContact OD2-OG 3.25Å
114	R	88.2	Confident	91.8	Very high	189 Å²	189	58.3 Å²	58.3	71%	0.713	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.4	-173.6	-174	177.7	179.5	-170.3	-3.1	113.4	S564	R114-S564 PolarHBondContact N-O 2.93Å
115	F	91.5	Very high	91.8	Very high	48 Å²	48	59.4 Å²	59.4	21%	0.211	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-50.5	-174.7	-52.2	-73.6	0	0	0	110.7	D113 D165 T560	D113-F115 PolarHBondContact O-N 3.36Å; D113-F115 PolarHBondContact OD1-N 3.06Å; D113-F115 VanDerWaalsContact OD1-N 3.07Å; F115-D165 HydrophobicContact CD1-CB 3.93Å; F115-D165 HydrophobicContact CE1-CB 3.42Å; F115-D165 VanDerWaalsContact CE1-CB 3.42Å; F115-D165 WeakPolarHBondContact CE1-OD2 3.35Å; F115-D165 HydrophobicContact CE2-CB 4.45Å; F115-D165 HydrophobicContact CZ-CB 3.72Å; F115-T560 HydrophobicContact CD2-CG2 3.94Å; F115-T560 HydrophobicContact CE2-CG2 3.33Å; F115-T560 HydrophobicContact CZ-CG2 4.02Å
116	S	93.9	Very high	92	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-11	-174.8	61.5	0	0	0	0	114.6	D113 S118 N119 M120 D161 S162	D113-S116 VanDerWaalsContact CB-OG 3.29Å; D113-S116 WeakPolarHBondContact CB-OG 3.36Å; D113-S116 PolarHBondContact OD1-N 2.77Å; D113-S116 PolarHBondContact OD1-OG 3.33Å; S116-S118 PolarHBondContact O-N 2.82Å; S116-S118 VanDerWaalsContact O-N 3.08Å; S116-N119 CarbonylContact O-C 3.55Å; S116-N119 WeakPolarHBondContact O-CA 3.04Å; S116-N119 WeakPolarHBondContact O-CB 3.32Å; S116-N119 PolarHBondContact O-N 3.48Å; S116-M120 WeakPolarHBondContact O-CB 3.22Å; S116-M120 PolarHBondContact O-N 3.22Å; S116-D161 WeakPolarHBondContact CB-OD2 3.42Å; S116-S162 WeakPolarHBondContact OG-CA 3.49Å; S116-S162 PolarHBondContact OG-OG 3.42Å
117	G	92.3	Very high	92.2	Very high	8 Å²	8	61.4 Å²	61.4	8%	0.082	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-27	-172	0	0	0	0	0	114.8	D113	D113-G117 VanDerWaalsContact O-CA 3.23Å; D113-G117 WeakPolarHBondContact O-CA 3.5Å; D113-G117 PolarHBondContact O-N 3.26Å
118	S	94.1	Very high	92.6	Very high	90 Å²	90	61 Å²	61	63%	0.629	28%	0.282	S	S	*	.	H	α-helix	trans	-74.4	-41.1	171.7	68.8	0	0	0	0	112.4	S116	S116-S118 PolarHBondContact O-N 2.82Å; S116-S118 VanDerWaalsContact O-N 3.08Å
119	N	96.1	Very high	93.3	Very high	7 Å²	7	60 Å²	60	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-34.8	176.1	-170.2	22.4	0	0	0	111.9	G100 P102 S116 K121 R122 D161	G100-N119 PolarHBondContact O-ND2 2.99Å; P102-N119 WeakPolarHBondContact CD-O 3.45Å; P102-N119 WeakPolarHBondContact CD-OD1 3.38Å; S116-N119 CarbonylContact O-C 3.55Å; S116-N119 WeakPolarHBondContact O-CA 3.04Å; S116-N119 WeakPolarHBondContact O-CB 3.32Å; S116-N119 PolarHBondContact O-N 3.48Å; N119-K121 PolarHBondContact O-N 2.9Å; N119-K121 VanDerWaalsContact O-N 3.1Å; N119-R122 WeakPolarHBondContact O-CA 3.4Å; N119-R122 VanDerWaalsContact O-CB 3.31Å; N119-R122 WeakPolarHBondContact O-CB 3.31Å; N119-R122 PolarHBondContact O-N 3.48Å; N119-R122 PolarHBondContact OD1-NE 3.4Å; N119-R122 PolarHBondContact OD1-NH1 2.75Å; N119-R122 PolarHBondContact OD1-NH2 3.41Å; N119-D161 VanDerWaalsContact CB-OD2 3.31Å; N119-D161 WeakPolarHBondContact CB-OD2 3.45Å; N119-D161 VanDerWaalsContact ND2-CG 3.32Å; N119-D161 PolarHBondContact ND2-OD1 3.13Å; N119-D161 VanDerWaalsContact ND2-OD1 3.11Å; N119-D161 PolarHBondContact ND2-OD2 2.83Å
120	M	95	Very high	94	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-28.4	-179.8	-160.4	55	73.6	0	0	112.9	P102 Q105 H110 S116 R122 Q123	P102-M120 HydrophobicContact CB-CE 4.27Å; P102-M120 HydrophobicContact CB-SD 3.76Å; P102-M120 HydrophobicContact CG-CE 4.33Å; P102-M120 HydrophobicContact CG-SD 4.06Å; Q105-M120 VanDerWaalsContact CD-SD 3.53Å; Q105-M120 HydrophobicContact CG-CG 4.49Å; Q105-M120 HydrophobicContact CG-SD 3.43Å; Q105-M120 WeakPolarHBondContact CG-SD 3.39Å; H110-M120 HydrophobicContact CB-CE 3.71Å; S116-M120 WeakPolarHBondContact O-CB 3.22Å; S116-M120 PolarHBondContact O-N 3.22Å; M120-R122 PolarHBondContact O-N 3.45Å; M120-Q123 WeakPolarHBondContact O-CG 3.27Å; M120-Q123 PolarHBondContact O-N 2.68Å
121	K	94.5	Very high	94.6	Very high	175 Å²	175	53.8 Å²	53.8	76%	0.761	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.8	173.3	-61.2	176.3	-175.2	177.1	0	113.7	N119	N119-K121 PolarHBondContact O-N 2.9Å; N119-K121 VanDerWaalsContact O-N 3.1Å
122	R	95.6	Very high	95.2	Very high	101 Å²	101	49 Å²	49	38%	0.381	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	14.2	-179.5	-55.9	-168	-70.6	107.8	-17.7	113.2	Y99 P101 N119 M120	Y99-R122 PolarHBondContact O-NH2 2.84Å; P101-R122 WeakPolarHBondContact CB-O 3.47Å; N119-R122 WeakPolarHBondContact O-CA 3.4Å; N119-R122 VanDerWaalsContact O-CB 3.31Å; N119-R122 WeakPolarHBondContact O-CB 3.31Å; N119-R122 PolarHBondContact O-N 3.48Å; N119-R122 PolarHBondContact OD1-NE 3.4Å; N119-R122 PolarHBondContact OD1-NH1 2.75Å; N119-R122 PolarHBondContact OD1-NH2 3.41Å; M120-R122 PolarHBondContact O-N 3.45Å
123	Q	96.2	Very high	95.8	Very high	37 Å²	37	43.3 Å²	43.3	17%	0.173	20%	0.197	C	C	.	.			trans	-52.6	139	-178.1	55.8	165.7	93.3	0	0	113.4	P102 I104 M120	P102-Q123 HydrophobicContact CB-CB 4.41Å; P102-Q123 CarbonylContact O-C 2.99Å; P102-Q123 WeakPolarHBondContact O-CA 3.35Å; I104-Q123 HydrophobicContact CD1-CB 4.37Å; I104-Q123 HydrophobicContact CD1-CG 4.3Å; I104-Q123 VanDerWaalsContact CD1-NE2 3.34Å; M120-Q123 WeakPolarHBondContact O-CG 3.27Å; M120-Q123 PolarHBondContact O-N 2.68Å
124	K	97.3	Very high	96.2	Very high	122 Å²	122	43 Å²	43	53%	0.53	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-145.5	164.7	-178	-71.9	-175.3	-178.2	-175.5	0	111.6	P101 P102 C103 I104 C127	P101-K124 HydrophobicContact CB-CB 4.19Å; P101-K124 HydrophobicContact CB-CD 4.35Å; P101-K124 HydrophobicContact CB-CG 4.27Å; P101-K124 HydrophobicContact CG-CB 4.32Å; P101-K124 HydrophobicContact CG-CD 4.34Å; P102-K124 PolarHBondContact O-N 2.8Å; C103-K124 WeakPolarHBondContact CA-O 3.24Å; I104-K124 PolarHBondContact N-O 3.08Å; K124-C127 WeakPolarHBondContact O-CB 3.27Å
125	E	97.9	Very high	96.6	Very high	27 Å²	27	34.1 Å²	34.1	13%	0.126	16%	0.163	C	C	.	.	S	Bend	trans	-74.9	-34	166.9	-66.6	-171.4	-149.1	0	0	112	P75 I76 R80 I104 C127 L190	P75-E125 WeakPolarHBondContact CG-O 3.3Å; I76-E125 HydrophobicContact CG2-CB 3.62Å; R80-E125 IonicContact CZ-OE1 2.88Å; R80-E125 IonicContact CZ-OE2 3.71Å; R80-E125 VanDerWaalsContact CZ-OE2 3.31Å; R80-E125 IonicContact NE-OE1 3.6Å; R80-E125 IonicContact NE-OE2 2.67Å; R80-E125 PolarHBondContact NE-OE2 3.39Å; R80-E125 IonicContact NH2-OE1 3.31Å; R80-E125 PolarHBondContact NH2-OE1 2.88Å; R80-E125 IonicContact NH2-OE2 3.41Å; R80-E125 PolarHBondContact NH2-OE2 3.28Å; I104-E125 HydrophobicContact CG1-CG 3.92Å; E125-C127 VanDerWaalsContact C-N 3.34Å; E125-C127 PolarHBondContact O-N 2.89Å; E125-C127 PolarHBondContact O-SG 2.85Å; E125-L190 HydrophobicContact CG-CD1 3.82Å; E125-L190 HydrophobicContact CG-CD2 4.5Å
126	D	98.3	Very high	96.7	Very high	46 Å²	46	33.9 Å²	33.9	25%	0.246	16%	0.161	C	C	.	.			trans	-74.7	89.6	165.8	-176.7	12.7	0	0	0	108.9	P74 I76 P101	P74-D126 HydrophobicContact CB-CB 4.04Å; P74-D126 WeakPolarHBondContact CB-OD1 3.41Å; P74-D126 WeakPolarHBondContact CG-OD1 3.3Å; I76-D126 HydrophobicContact CG2-CB 4.3Å; P101-D126 WeakPolarHBondContact CG-O 3.37Å
127	C	98.6	Very high	96.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	18%	0.178	C	C	.	.			trans	-139.9	4.7	-170.5	65.4	0	0	0	0	114.6	P101 C103 K124 E125 Y129 N184	P101-C127 WeakPolarHBondContact O-CB 3.47Å; C103-C127 VanDerWaalsContact CA-CB 3.45Å; C103-C127 WeakPolarHBondContact CA-SG 3.41Å; C103-C127 HydrophobicContact CB-CB 3.81Å; C103-C127 WeakPolarHBondContact CB-SG 3.11Å; C103-C127 WeakPolarHBondContact SG-CB 3.31Å; C103-C127 CovalentContact SG-SG 2.03Å; C103-C127 PolarHBondContact SG-SG 2.96Å; K124-C127 WeakPolarHBondContact O-CB 3.27Å; E125-C127 VanDerWaalsContact C-N 3.34Å; E125-C127 PolarHBondContact O-N 2.89Å; E125-C127 PolarHBondContact O-SG 2.85Å; C127-Y129 PolarHBondContact O-N 3.34Å; C127-N184 WeakPolarHBondContact O-CB 3.41Å; C127-N184 PolarHBondContact O-ND2 2.89Å
128	L	98.9	Very high	95.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	21%	0.21	C	C	.	.			trans	-78.2	70	-176.2	-57.6	-172.3	0	0	0	111.9	Y71 A72 P75 P84 R186 D208	Y71-L128 VanDerWaalsContact CD1-O 3.32Å; Y71-L128 WeakPolarHBondContact CD1-O 3.48Å; Y71-L128 HydrophobicContact CE1-CB 4.1Å; Y71-L128 HydrophobicContact CE2-CB 3.92Å; Y71-L128 PolarHBondContact N-O 3.28Å; Y71-L128 VanDerWaalsContact N-O 3.14Å; Y71-L128 WeakPolarHBondContact OH-CD2 3.48Å; A72-L128 HydrophobicContact CB-CB 4.11Å; A72-L128 HydrophobicContact CB-CD1 3.65Å; P75-L128 HydrophobicContact CB-CD1 4.13Å; P75-L128 HydrophobicContact CG-CD1 3.73Å; P75-L128 HydrophobicContact CG-CD2 4.38Å; P75-L128 HydrophobicContact CG-CG 3.82Å; P84-L128 HydrophobicContact CB-CD1 4.04Å; L128-R186 HydrophobicContact CD2-CG 4.18Å; L128-D208 HydrophobicContact CD2-CB 4.01Å; L128-D208 WeakPolarHBondContact CD2-OD2 3.49Å
129	Y	98.9	Very high	94.8	Very high	37 Å²	37	47.1 Å²	47.1	15%	0.145	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.7	-179.4	-60.8	-90.4	0	0	0	111.5	G68 I69 P70 P101 C127 N184	G68-Y129 WeakPolarHBondContact O-CD1 3.29Å; I69-Y129 CarbonylContact O-C 3.5Å; I69-Y129 VanDerWaalsContact O-CA 3.24Å; I69-Y129 WeakPolarHBondContact O-CA 3.46Å; P70-Y129 HydrophobicContact CB-CD1 3.91Å; P70-Y129 HydrophobicContact CB-CE1 3.71Å; P70-Y129 HydrophobicContact CG-CE1 4.31Å; P101-Y129 HydrophobicContact CG-CD2 4.29Å; P101-Y129 HydrophobicContact CG-CE2 3.89Å; C127-Y129 PolarHBondContact O-N 3.34Å; Y129-N184 PolarHBondContact O-N 3.2Å
130	L	98.9	Very high	93.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	165.6	171.1	63.3	78.7	0	0	0	111.2	G68 I69 Y71 I132 V181 T182 L183 A212 W215 L216	G68-L130 PolarHBondContact N-O 2.94Å; I69-L130 HydrophobicContact CB-CD1 3.95Å; I69-L130 HydrophobicContact CB-CG 4.44Å; I69-L130 HydrophobicContact CD1-CD1 4.02Å; I69-L130 HydrophobicContact CG2-CD1 4.39Å; I69-L130 PolarHBondContact N-O 2.65Å; I69-L130 PolarHBondContact O-N 2.89Å; Y71-L130 HydrophobicContact CD1-CB 3.94Å; Y71-L130 HydrophobicContact CD1-CD2 3.88Å; Y71-L130 HydrophobicContact CD1-CG 3.97Å; Y71-L130 HydrophobicContact CE1-CB 4.49Å; Y71-L130 HydrophobicContact CG-CD2 4.07Å; L130-I132 HydrophobicContact CD1-CD1 3.89Å; L130-I132 HydrophobicContact CD1-CG1 3.7Å; L130-V181 HydrophobicContact CB-CG1 4.37Å; L130-T182 CarbonylContact C-O 3.59Å; L130-T182 VanDerWaalsContact CA-O 3.27Å; L130-T182 WeakPolarHBondContact CA-O 3.13Å; L130-T182 WeakPolarHBondContact CB-O 3.16Å; L130-L183 HydrophobicContact CB-CB 3.94Å; L130-A212 HydrophobicContact CD2-CB 4.42Å; L130-W215 HydrophobicContact CD1-CE3 4.32Å; L130-W215 HydrophobicContact CD1-CH2 4.45Å; L130-W215 HydrophobicContact CD1-CZ3 4Å; L130-W215 HydrophobicContact CD2-CD2 4.22Å; L130-W215 HydrophobicContact CD2-CE3 3.73Å; L130-W215 HydrophobicContact CD2-CZ3 4.25Å; L130-L216 HydrophobicContact CD2-CD2 4.38Å
131	N	98.9	Very high	92.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.1	178.5	-43.3	-74.5	0	0	0	108.8	Y66 L67 G68 Y99 F133 S160 V181 T182	Y66-N131 CarbonylContact O-C 3.53Å; Y66-N131 WeakPolarHBondContact O-CA 3.34Å; L67-N131 VanDerWaalsContact CA-OD1 3.29Å; L67-N131 WeakPolarHBondContact CA-OD1 3.38Å; L67-N131 HydrophobicContact CD2-CB 3.83Å; G68-N131 PolarHBondContact N-OD1 3.33Å; Y99-N131 VanDerWaalsContact CD1-CG 3.44Å; Y99-N131 WeakPolarHBondContact CD1-ND2 3.39Å; Y99-N131 VanDerWaalsContact CD1-OD1 3.25Å; Y99-N131 WeakPolarHBondContact CD1-OD1 3.2Å; Y99-N131 HydrophobicContact CE1-CB 4.2Å; N131-F133 HydrophobicContact CB-CE2 3.74Å; N131-F133 HydrophobicContact CB-CZ 3.94Å; N131-S160 WeakPolarHBondContact ND2-CB 3.24Å; N131-S160 PolarHBondContact ND2-OG 2.95Å; N131-V181 VanDerWaalsContact O-CA 3.24Å; N131-V181 WeakPolarHBondContact O-CA 3.5Å; N131-V181 WeakPolarHBondContact O-CG1 3.1Å; N131-T182 PolarHBondContact N-O 3.49Å; N131-T182 PolarHBondContact ND2-O 3.11Å; N131-T182 PolarHBondContact ND2-OG1 2.67Å; N131-T182 PolarHBondContact O-N 3Å; N131-T182 VanDerWaalsContact O-N 3.11Å
132	I	98.9	Very high	92.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.2	-178.6	-57.4	171.4	0	0	0	108.9	Y66 I69 L130 T179 V181 W215 I220 F223	Y66-I132 PolarHBondContact N-O 3.46Å; Y66-I132 PolarHBondContact O-N 3.23Å; I69-I132 HydrophobicContact CD1-CD1 3.74Å; I69-I132 HydrophobicContact CD1-CG1 4.09Å; L130-I132 HydrophobicContact CD1-CD1 3.89Å; L130-I132 HydrophobicContact CD1-CG1 3.7Å; I132-T179 HydrophobicContact CG2-CG2 3.91Å; I132-V181 HydrophobicContact CG1-CG2 4.28Å; I132-W215 HydrophobicContact CD1-CH2 3.99Å; I132-W215 HydrophobicContact CD1-CZ3 3.75Å; I132-I220 HydrophobicContact CD1-CD1 3.87Å; I132-I220 HydrophobicContact CG1-CD1 4.29Å; I132-I220 HydrophobicContact CG2-CD1 4Å; I132-F223 HydrophobicContact CB-CD1 4.27Å; I132-F223 HydrophobicContact CD1-CD1 3.83Å; I132-F223 HydrophobicContact CD1-CD2 3.72Å; I132-F223 HydrophobicContact CD1-CE1 3.77Å; I132-F223 HydrophobicContact CD1-CE2 3.67Å; I132-F223 HydrophobicContact CD1-CG 3.8Å; I132-F223 HydrophobicContact CD1-CZ 3.69Å; I132-F223 HydrophobicContact CG2-CB 3.86Å; I132-F223 HydrophobicContact CG2-CD1 4.01Å; I132-F223 HydrophobicContact CG2-CG 4.01Å
133	F	98.7	Very high	92.9	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.9	175.8	-47.2	-94.9	0	0	0	108	Q64 V65 L67 Y99 N131 T166 L170 V174 T179 L180 T182	Q64-F133 WeakPolarHBondContact O-CA 3.42Å; V65-F133 HydrophobicContact CB-CD1 4.37Å; V65-F133 HydrophobicContact CG1-CD1 3.73Å; V65-F133 HydrophobicContact CG1-CE1 3.68Å; V65-F133 HydrophobicContact CG2-CD1 4.07Å; L67-F133 HydrophobicContact CD2-CE1 3.56Å; L67-F133 HydrophobicContact CD2-CZ 3.49Å; L67-F133 VanDerWaalsContact CD2-CZ 3.49Å; Y99-F133 HydrophobicContact CE1-CZ 4.1Å; Y99-F133 WeakPolarHBondContact OH-CZ 3.35Å; N131-F133 HydrophobicContact CB-CE2 3.74Å; N131-F133 HydrophobicContact CB-CZ 3.94Å; F133-T166 HydrophobicContact CD1-CG2 4.29Å; F133-T166 HydrophobicContact CE1-CG2 3.73Å; F133-L170 HydrophobicContact CB-CD2 3.73Å; F133-L170 HydrophobicContact CD1-CD2 3.95Å; F133-L170 HydrophobicContact CG-CD2 4.22Å; F133-V174 HydrophobicContact CB-CG2 3.74Å; F133-T179 CarbonylContact O-C 3.52Å; F133-T179 WeakPolarHBondContact O-CA 3.47Å; F133-L180 HydrophobicContact CB-CB 4.28Å; F133-L180 HydrophobicContact CD2-CB 4.26Å; F133-L180 HydrophobicContact CD2-CD2 4.12Å; F133-L180 HydrophobicContact CD2-CG 4.14Å; F133-L180 WeakPolarHBondContact CD2-O 3.35Å; F133-L180 PolarHBondContact N-O 2.93Å; F133-L180 PolarHBondContact O-N 3.5Å; F133-T182 HydrophobicContact CE2-CG2 4.16Å
134	S	97.9	Very high	93	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.7	-172.5	-158.2	0	0	0	0	111.1	V63 Q64 V174 T179 F223	V63-S134 CarbonylContact C-O 3.55Å; V63-S134 WeakPolarHBondContact CA-O 3.48Å; Q64-S134 WeakPolarHBondContact CG-O 3.39Å; Q64-S134 PolarHBondContact N-O 2.82Å; Q64-S134 PolarHBondContact O-N 3.3Å; S134-V174 VanDerWaalsContact C-CG1 3.45Å; S134-T179 PolarHBondContact OG-OG1 3.44Å; S134-F223 WeakPolarHBondContact CB-O 3.33Å; S134-F223 PolarHBondContact OG-O 3.18Å
135	P	96	Very high	93	Very high	3 Å²	3	42 Å²	42	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	145.1	167.1	-14.5	28.7	0	0	0	110.1	Q64 Y144 V174 N224	Q64-P135 PolarHBondContact NE2-O 2.9Å; P135-Y144 HydrophobicContact CB-CD2 4.06Å; P135-Y144 HydrophobicContact CB-CE1 4.19Å; P135-Y144 HydrophobicContact CB-CE2 3.55Å; P135-Y144 HydrophobicContact CG-CD1 4.03Å; P135-Y144 HydrophobicContact CG-CD2 3.71Å; P135-Y144 HydrophobicContact CG-CE1 4.03Å; P135-Y144 HydrophobicContact CG-CE2 3.73Å; P135-Y144 HydrophobicContact CG-CG 3.87Å; P135-V174 HydrophobicContact CG-CG1 4.05Å; P135-N224 PolarHBondContact O-ND2 3.22Å
136	Y	94.3	Very high	93.1	Very high	42 Å²	42	40.8 Å²	40.8	17%	0.165	22%	0.216	C	C	.	.			trans	-116.3	128.7	176.8	178.5	-95.9	0	0	0	110.1	H42 L55 Q62 Q64 E138	H42-Y136 AromaticContact CD2-CE2 3.75Å; H42-Y136 AromaticContact CE1-CE2 3.94Å; H42-Y136 AromaticContact CG-CE2 3.85Å; H42-Y136 AromaticContact ND1-CE2 3.94Å; H42-Y136 AromaticContact NE2-CE2 3.85Å; L55-Y136 HydrophobicContact CD1-CD1 4.35Å; L55-Y136 HydrophobicContact CD1-CE1 4.02Å; L55-Y136 HydrophobicContact CD2-CD1 3.96Å; L55-Y136 HydrophobicContact CD2-CD2 3.75Å; L55-Y136 HydrophobicContact CD2-CE1 4.34Å; L55-Y136 HydrophobicContact CD2-CE2 4.14Å; L55-Y136 HydrophobicContact CD2-CG 3.64Å; Q62-Y136 HydrophobicContact CB-CD1 3.96Å; Q62-Y136 PolarHBondContact O-N 3.3Å; Q62-Y136 VanDerWaalsContact OE1-CE1 3.31Å; Q64-Y136 HydrophobicContact CB-CD2 4.43Å; Y136-E138 HydrophobicContact CE1-CG 4.15Å
137	E	87.6	Confident	93.1	Very high	76 Å²	76	38.6 Å²	38.6	36%	0.355	21%	0.205	S	C	.	.			trans	-134.9	136.1	172.5	-67.1	180	-172.4	0	0	107	N139 T142 Y144	E137-N139 PolarHBondContact O-N 3.35Å; E137-T142 PolarHBondContact OE2-OG1 3.03Å; E137-Y144 PolarHBondContact OE1-OH 3.18Å
138	E	78.6	Confident	93.1	Very high	162 Å²	162	38.6 Å²	38.6	76%	0.757	21%	0.205	S	C	*	.	S	Bend	trans	-63.6	-28.4	-177	-68.1	-176.3	168	0	0	112.9	Y136 A140	Y136-E138 HydrophobicContact CE1-CG 4.15Å; E138-A140 PolarHBondContact O-N 3.46Å
139	N	73.2	Confident	93.1	Very high	138 Å²	138	38.9 Å²	38.9	74%	0.738	21%	0.206	S	C	*	.	S	Bend	trans	-90.4	93.7	176.1	-66.4	-32.1	0	0	0	109.6	E137 D141	E137-N139 PolarHBondContact O-N 3.35Å; N139-D141 PolarHBondContact O-N 3.25Å
140	A	68.5	Low	93.1	Very high	66 Å²	66	37.2 Å²	37.2	55%	0.545	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	21.3	-163.9	0	0	0	0	0	118	E138	E138-A140 PolarHBondContact O-N 3.46Å
141	D	83.8	Confident	93.1	Very high	159 Å²	159	37.5 Å²	37.5	85%	0.85	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.9	-178	-70.3	-31.7	0	0	0	113.6	N139 L143	N139-D141 PolarHBondContact O-N 3.25Å; D141-L143 PolarHBondContact O-N 2.8Å
142	T	92.7	Very high	93	Very high	60 Å²	60	37.9 Å²	37.9	37%	0.368	21%	0.205	S	C	.	.			trans	-79.1	120.2	179.4	-53.1	0	0	0	0	110.7	E137 Y144	E137-T142 PolarHBondContact OE2-OG1 3.03Å; T142-Y144 HydrophobicContact CG2-CD1 4.43Å; T142-Y144 HydrophobicContact CG2-CE1 3.77Å; T142-Y144 HydrophobicContact CG2-CE2 4.24Å
143	L	96.5	Very high	92.8	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.215	21%	0.209	C	C	.	.			trans	-102.8	141.8	171.1	-57.2	179.6	0	0	0	111.2	D141 R221 N224 D226	D141-L143 PolarHBondContact O-N 2.8Å; L143-R221 HydrophobicContact CD1-CG 4.17Å; L143-R221 HydrophobicContact CD2-CG 3.79Å; L143-N224 CarbonylContact C-O 3.46Å; L143-N224 WeakPolarHBondContact CA-O 3.22Å; L143-D226 HydrophobicContact CB-CB 3.88Å
144	Y	98	Very high	92.6	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.3	-179.1	-57	-76	0	0	0	111.2	P135 E137 T142 N177 N224 G225 D226	P135-Y144 HydrophobicContact CB-CD2 4.06Å; P135-Y144 HydrophobicContact CB-CE1 4.19Å; P135-Y144 HydrophobicContact CB-CE2 3.55Å; P135-Y144 HydrophobicContact CG-CD1 4.03Å; P135-Y144 HydrophobicContact CG-CD2 3.71Å; P135-Y144 HydrophobicContact CG-CE1 4.03Å; P135-Y144 HydrophobicContact CG-CE2 3.73Å; P135-Y144 HydrophobicContact CG-CG 3.87Å; E137-Y144 PolarHBondContact OE1-OH 3.18Å; T142-Y144 HydrophobicContact CG2-CD1 4.43Å; T142-Y144 HydrophobicContact CG2-CE1 3.77Å; T142-Y144 HydrophobicContact CG2-CE2 4.24Å; Y144-N177 HydrophobicContact CD1-CB 3.78Å; Y144-N177 HydrophobicContact CE1-CB 3.94Å; Y144-N224 HydrophobicContact CD2-CB 3.88Å; Y144-N224 VanDerWaalsContact CD2-O 3.24Å; Y144-N224 WeakPolarHBondContact CD2-O 3.49Å; Y144-N224 HydrophobicContact CE2-CB 3.96Å; Y144-N224 PolarHBondContact N-O 3.37Å; Y144-G225 CarbonylContact O-C 3.6Å; Y144-G225 WeakPolarHBondContact O-CA 3.2Å; Y144-D226 PolarHBondContact O-N 3.27Å
145	P	98.7	Very high	92.5	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.071	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	146.8	172.2	-26.1	36.2	0	0	0	111.8	V178 T179 M229 K591	P145-V178 CarbonylContact O-C 3.52Å; P145-V178 WeakPolarHBondContact O-CA 3.34Å; P145-V178 WeakPolarHBondContact O-CG1 3.5Å; P145-T179 PolarHBondContact O-N 3.41Å; P145-M229 HydrophobicContact CB-CB 4.13Å; P145-M229 HydrophobicContact CG-CE 3.73Å; P145-M229 HydrophobicContact CG-SD 3.98Å; P145-K591 HydrophobicContact CB-CG 4.41Å; P145-K591 HydrophobicContact CG-CB 4.15Å; P145-K591 HydrophobicContact CG-CG 3.72Å
146	V	98.9	Very high	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.2	-173.4	-174.7	0	0	0	0	109.8	V148 T179 V181 I220 M229 V230 T231	V146-V148 HydrophobicContact CG1-CG2 4.06Å; V146-T179 CarbonylContact C-O 3.46Å; V146-T179 WeakPolarHBondContact CA-O 3.31Å; V146-T179 HydrophobicContact CG1-CG2 4.45Å; V146-V181 HydrophobicContact CG1-CG2 3.79Å; V146-I220 HydrophobicContact CG1-CG1 4.36Å; V146-I220 HydrophobicContact CG2-CG1 3.87Å; V146-M229 PolarHBondContact N-O 3.3Å; V146-V230 HydrophobicContact CB-CG2 4.28Å; V146-T231 PolarHBondContact O-N 3.46Å
147	I	98.9	Very high	92.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.9	165	-68.5	177.9	0	0	0	108.2	I173 V178 T179 L180 V181 T231 M233 I586 A590	I147-I173 HydrophobicContact CD1-CG2 4.3Å; I147-V178 HydrophobicContact CB-CG1 4.19Å; I147-V178 HydrophobicContact CD1-CG1 3.73Å; I147-V178 HydrophobicContact CG1-CG1 3.65Å; I147-T179 PolarHBondContact N-O 3.13Å; I147-L180 HydrophobicContact CB-CD1 4.48Å; I147-L180 HydrophobicContact CG2-CD1 4.15Å; I147-L180 CarbonylContact O-C 3.59Å; I147-V181 PolarHBondContact O-N 3.26Å; I147-T231 CarbonylContact C-O 3.6Å; I147-T231 WeakPolarHBondContact CA-O 3.01Å; I147-M233 HydrophobicContact CG2-CB 3.8Å; I147-M233 HydrophobicContact CG2-CG 4.45Å; I147-M233 HydrophobicContact CG2-SD 3.78Å; I147-I586 HydrophobicContact CD1-CG2 3.66Å; I147-A590 HydrophobicContact CD1-CB 3.77Å; I147-A590 HydrophobicContact CG1-CB 3.63Å
148	V	99	Very high	93	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	106.4	174	-176.2	0	0	0	0	108.4	V146 V181 L183 L213 L216 V230 T231 M233	V146-V148 HydrophobicContact CG1-CG2 4.06Å; V148-V181 HydrophobicContact CG2-CB 4.28Å; V148-L183 HydrophobicContact CG1-CD2 3.39Å; V148-L213 HydrophobicContact CG1-CD2 4.43Å; V148-L213 HydrophobicContact CG2-CD2 4.18Å; V148-L216 HydrophobicContact CG1-CD1 4.35Å; V148-L216 HydrophobicContact CG2-CD1 3.51Å; V148-V230 HydrophobicContact CG2-CG1 3.82Å; V148-T231 PolarHBondContact N-O 2.69Å; V148-M233 PolarHBondContact O-N 3.28Å; V148-M233 VanDerWaalsContact O-O 3.09Å
149	W	98.9	Very high	93.9	Very high	7 Å²	7	26 Å²	26	3%	0.027	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	178	174.8	-112.9	0	0	0	111.5	L180 V181 T182 L183 M233 E235 M261 H555 F559	W149-L180 HydrophobicContact CB-CD1 4.16Å; W149-V181 PolarHBondContact N-O 3.3Å; W149-T182 HydrophobicContact CB-CG2 4.14Å; W149-T182 HydrophobicContact CG-CG2 4.46Å; W149-L183 WeakPolarHBondContact O-CD2 3.2Å; W149-M233 CarbonylContact C-O 3.59Å; W149-M233 VanDerWaalsContact CA-O 3.29Å; W149-M233 WeakPolarHBondContact CA-O 3.26Å; W149-M233 HydrophobicContact CE3-CB 4.4Å; W149-M233 HydrophobicContact CE3-CE 4Å; W149-M233 HydrophobicContact CE3-CG 3.82Å; W149-M233 HydrophobicContact CE3-SD 4.31Å; W149-M233 HydrophobicContact CZ3-CE 3.82Å; W149-M233 HydrophobicContact CZ3-CG 4.01Å; W149-E235 HydrophobicContact CH2-CB 3.61Å; W149-E235 HydrophobicContact CZ2-CB 4.45Å; W149-E235 HydrophobicContact CZ3-CB 4.34Å; W149-M261 HydrophobicContact CZ3-SD 4.18Å; W149-H555 HydrophobicContact CH2-CB 3.74Å; W149-H555 HydrophobicContact CZ2-CB 4.36Å; W149-F559 AromaticContact CD2-CE2 3.75Å; W149-F559 HydrophobicContact CD2-CE2 3.75Å; W149-F559 AromaticContact CD2-CZ 3.85Å; W149-F559 HydrophobicContact CD2-CZ 3.85Å; W149-F559 AromaticContact CE2-CE2 3.75Å; W149-F559 AromaticContact CE3-CE2 3.84Å; W149-F559 HydrophobicContact CE3-CE2 3.84Å; W149-F559 HydrophobicContact CE3-CZ 4.06Å; W149-F559 HydrophobicContact CG-CE2 4.39Å; W149-F559 HydrophobicContact CG-CZ 4.05Å; W149-F559 AromaticContact CH2-CE2 3.93Å; W149-F559 HydrophobicContact CH2-CE2 3.93Å; W149-F559 HydrophobicContact CZ2-CD2 4.36Å; W149-F559 AromaticContact CZ2-CE2 3.85Å; W149-F559 HydrophobicContact CZ2-CE2 3.85Å; W149-F559 AromaticContact CZ3-CE2 3.94Å; W149-F559 HydrophobicContact CZ3-CE2 3.94Å
150	I	98.8	Very high	95.1	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.5	174.5	-52.3	173.7	0	0	0	107.4	L183 Y185 M233 G234 G238 A242 L245	I150-L183 HydrophobicContact CG1-CD2 4.38Å; I150-Y185 HydrophobicContact CG2-CD1 4.27Å; I150-Y185 HydrophobicContact CG2-CE1 3.66Å; I150-M233 PolarHBondContact N-O 3.31Å; I150-G234 VanDerWaalsContact O-CA 3.22Å; I150-G234 WeakPolarHBondContact O-CA 3.37Å; I150-G238 WeakPolarHBondContact O-CA 3.37Å; I150-A242 HydrophobicContact CD1-CB 4.48Å; I150-L245 HydrophobicContact CD1-CD1 3.42Å; I150-L245 VanDerWaalsContact CD1-CD1 3.42Å
151	H	98.1	Very high	96.5	Very high	7 Å²	7	16.6 Å²	16.6	3%	0.032	10%	0.096	C	C	.	.			trans	-67.3	149.5	-179.1	67.3	77.6	0	0	0	112	G158 S159 L183 Y185 G238	H151-G158 PolarHBondContact CE1-O 3.24Å; H151-G158 WeakPolarHBondContact ND1-CA 3.41Å; H151-S159 PolarHBondContact CD2-O 2.97Å; H151-S159 PolarHBondContact CE1-N 2.93Å; H151-S159 WeakPolarHBondContact NE2-CA 3.32Å; H151-S159 PolarHBondContact NE2-N 2.92Å; H151-L183 PolarHBondContact CD2-O 2.96Å; H151-Y185 AromaticContact CD2-CE1 3.74Å; H151-Y185 AromaticContact CE1-CE1 3.44Å; H151-Y185 VanDerWaalsContact CE1-CE1 3.44Å; H151-Y185 WeakPolarHBondContact CE1-CE1 3.34Å; H151-Y185 AromaticContact CE1-CZ 3.57Å; H151-Y185 AromaticContact ND1-CE1 3.89Å; H151-Y185 AromaticContact ND1-CZ 3.98Å; H151-Y185 AromaticContact NE2-CD1 3.76Å; H151-Y185 AromaticContact NE2-CE1 3.34Å; H151-Y185 VanDerWaalsContact NE2-CE1 3.34Å; H151-Y185 WeakPolarHBondContact NE2-CE1 3.31Å; H151-Y185 AromaticContact NE2-CZ 3.95Å; H151-Y185 PolarHBondContact O-OH 2.85Å; H151-G238 WeakPolarHBondContact O-CA 3.04Å
152	G	96.6	Very high	97	Very high	8 Å²	8	9.4 Å²	9.4	8%	0.082	6%	0.058	C	C	.	.			trans	-77.3	-158.6	170.6	0	0	0	0	0	113.3	E235	G152-E235 WeakPolarHBondContact CA-O 3.42Å
153	G	94.6	Very high	97	Very high	9 Å²	9	6.7 Å²	6.7	9%	0.093	4%	0.042	C	C	.	.	S	Bend	trans	110.3	35.2	179.9	0	0	0	0	0	114.5	L155 L156 A157	G153-L155 PolarHBondContact O-N 3.33Å; G153-L156 PolarHBondContact O-N 3.28Å; G153-A157 WeakPolarHBondContact CA-O 3.09Å; G153-A157 PolarHBondContact O-N 2.84Å
154	S	94.3	Very high	97	Very high	25 Å²	25	4.9 Å²	4.9	18%	0.175	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	23.7	175.1	-54.9	0	0	0	0	115.4	L156 G371	S154-L156 PolarHBondContact O-N 3.34Å; S154-L156 VanDerWaalsContact O-N 3.15Å; S154-G371 PolarHBondContact O-N 3.42Å; S154-G371 VanDerWaalsContact O-N 3.08Å
155	L	97.2	Very high	96.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	21	-172.7	-55.4	177	0	0	0	113.5	G153 Y185 G188 F192 A237 G371 V373	G153-L155 PolarHBondContact O-N 3.33Å; L155-Y185 HydrophobicContact CD2-CE2 3.87Å; L155-G188 PolarHBondContact O-N 3.35Å; L155-F192 HydrophobicContact CB-CD2 3.92Å; L155-F192 HydrophobicContact CB-CE1 4.39Å; L155-F192 HydrophobicContact CB-CE2 3.6Å; L155-F192 HydrophobicContact CB-CG 4.48Å; L155-F192 HydrophobicContact CB-CZ 3.86Å; L155-F192 HydrophobicContact CD1-CD1 4.06Å; L155-F192 HydrophobicContact CD1-CE1 3.58Å; L155-F192 HydrophobicContact CD1-CE2 4.31Å; L155-F192 HydrophobicContact CD1-CZ 3.74Å; L155-F192 HydrophobicContact CD2-CE1 4.33Å; L155-F192 HydrophobicContact CD2-CE2 4.14Å; L155-F192 HydrophobicContact CD2-CZ 3.67Å; L155-F192 HydrophobicContact CG-CE1 4.3Å; L155-F192 HydrophobicContact CG-CE2 4.21Å; L155-F192 HydrophobicContact CG-CZ 3.94Å; L155-A237 HydrophobicContact CD2-CB 3.85Å; L155-A237 HydrophobicContact CG-CB 3.85Å; L155-G371 WeakPolarHBondContact CD1-O 3.44Å; L155-V373 HydrophobicContact CD1-CG2 4.27Å
156	L	96.4	Very high	96.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-23.5	-178	-70.5	166.9	0	0	0	113.1	F106 M107 G153 S154 G188 W279 V352	F106-L156 HydrophobicContact CB-CB 4.37Å; F106-L156 HydrophobicContact CB-CD2 3.83Å; F106-L156 PolarHBondContact N-O 2.88Å; M107-L156 HydrophobicContact CB-CB 4.47Å; M107-L156 HydrophobicContact CG-CB 3.75Å; M107-L156 HydrophobicContact CG-CD1 3.95Å; M107-L156 HydrophobicContact CG-CG 4.5Å; M107-L156 HydrophobicContact SD-CB 4Å; M107-L156 HydrophobicContact SD-CD1 3.73Å; G153-L156 PolarHBondContact O-N 3.28Å; S154-L156 PolarHBondContact O-N 3.34Å; S154-L156 VanDerWaalsContact O-N 3.15Å; L156-G188 VanDerWaalsContact CD2-CA 3.49Å; L156-W279 HydrophobicContact CD2-CH2 4.37Å; L156-W279 HydrophobicContact CD2-CZ2 3.47Å; L156-W279 VanDerWaalsContact CD2-CZ2 3.47Å; L156-V352 HydrophobicContact CD1-CG1 3.69Å; L156-V352 HydrophobicContact CD1-CG2 4.36Å
157	A	95.7	Very high	96.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-143.3	172.2	178.6	0	0	0	0	0	111.7	M107 F109 G153	M107-A157 HydrophobicContact CB-CB 3.87Å; M107-A157 WeakPolarHBondContact O-CB 3.33Å; F109-A157 HydrophobicContact CD2-CB 4.36Å; G153-A157 WeakPolarHBondContact CA-O 3.09Å; G153-A157 PolarHBondContact O-N 2.84Å
158	G	96.3	Very high	96.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.			trans	107.4	165.5	-178.2	0	0	0	0	0	112.9	Q105 H151 L187	Q105-G158 PolarHBondContact NE2-O 2.85Å; H151-G158 PolarHBondContact CE1-O 3.24Å; H151-G158 WeakPolarHBondContact ND1-CA 3.41Å; G158-L187 WeakPolarHBondContact O-CD1 3.32Å
159	S	97.9	Very high	96.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.			trans	-157.8	170.7	177.3	65.1	0	0	0	0	111	H151 D161 S162 N184	H151-S159 PolarHBondContact CD2-O 2.97Å; H151-S159 PolarHBondContact CE1-N 2.93Å; H151-S159 WeakPolarHBondContact NE2-CA 3.32Å; H151-S159 PolarHBondContact NE2-N 2.92Å; S159-D161 PolarHBondContact O-N 3.42Å; S159-D161 VanDerWaalsContact O-N 3.08Å; S159-D161 PolarHBondContact OG-OD1 2.7Å; S159-S162 PolarHBondContact N-OG 2.87Å; S159-S162 PolarHBondContact O-N 2.77Å; S159-S162 PolarHBondContact OG-N 3.39Å; S159-S162 PolarHBondContact OG-OG 3.43Å; S159-N184 WeakPolarHBondContact CA-OD1 3.06Å
160	S	97.9	Very high	96	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.4	-177.1	71.6	0	0	0	0	115	N131 T182 L183 N184	N131-S160 WeakPolarHBondContact ND2-CB 3.24Å; N131-S160 PolarHBondContact ND2-OG 2.95Å; S160-T182 WeakPolarHBondContact O-CB 3.44Å; S160-T182 PolarHBondContact O-OG1 2.77Å; S160-L183 VanDerWaalsContact CB-C 3.48Å; S160-N184 WeakPolarHBondContact CB-OD1 3.48Å; S160-N184 PolarHBondContact N-OD1 3.14Å; S160-N184 PolarHBondContact OG-OD1 2.98Å
161	D	96.7	Very high	95.9	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.037	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	0.3	177.7	57.8	-44	0	0	0	113.3	Y99 S116 N119 S159 G163 V164	Y99-D161 HydrophobicContact CD1-CB 3.81Å; Y99-D161 HydrophobicContact CD2-CB 4.03Å; Y99-D161 HydrophobicContact CE1-CB 3.81Å; Y99-D161 HydrophobicContact CE2-CB 4.03Å; Y99-D161 HydrophobicContact CG-CB 3.93Å; S116-D161 WeakPolarHBondContact CB-OD2 3.42Å; N119-D161 VanDerWaalsContact CB-OD2 3.31Å; N119-D161 WeakPolarHBondContact CB-OD2 3.45Å; N119-D161 VanDerWaalsContact ND2-CG 3.32Å; N119-D161 PolarHBondContact ND2-OD1 3.13Å; N119-D161 VanDerWaalsContact ND2-OD1 3.11Å; N119-D161 PolarHBondContact ND2-OD2 2.83Å; S159-D161 PolarHBondContact O-N 3.42Å; S159-D161 VanDerWaalsContact O-N 3.08Å; S159-D161 PolarHBondContact OG-OD1 2.7Å; D161-G163 PolarHBondContact O-N 3.42Å; D161-V164 PolarHBondContact O-N 2.86Å
162	S	95	Very high	95.9	Very high	9 Å²	9	14.3 Å²	14.3	6%	0.063	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	123.3	177.5	-69.4	0	0	0	0	111.4	S116 S159 V164	S116-S162 WeakPolarHBondContact OG-CA 3.49Å; S116-S162 PolarHBondContact OG-OG 3.42Å; S159-S162 PolarHBondContact N-OG 2.87Å; S159-S162 PolarHBondContact O-N 2.77Å; S159-S162 PolarHBondContact OG-N 3.39Å; S159-S162 PolarHBondContact OG-OG 3.43Å; S162-V164 VanDerWaalsContact C-N 3.26Å; S162-V164 PolarHBondContact O-N 3.42Å
163	G	93	Very high	95.9	Very high	2 Å²	2	14 Å²	14	2%	0.021	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	30.8	-175.5	0	0	0	0	0	114	D113 D161 F559 T560 S564	D113-G163 PolarHBondContact OD2-N 3.44Å; D161-G163 PolarHBondContact O-N 3.42Å; G163-F559 WeakPolarHBondContact O-CB 3.26Å; G163-T560 VanDerWaalsContact C-CG2 3.49Å; G163-T560 WeakPolarHBondContact O-CG2 3.48Å; G163-S564 VanDerWaalsContact CA-CB 3.46Å; G163-S564 VanDerWaalsContact CA-OG 3.3Å; G163-S564 WeakPolarHBondContact CA-OG 3.13Å
164	V	95.5	Very high	96.1	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.024	7%	0.071	C	C	.	.			trans	-124	101.8	178.2	-176.3	0	0	0	0	110.7	D161 S162 T166 A169 F559	D161-V164 PolarHBondContact O-N 2.86Å; S162-V164 VanDerWaalsContact C-N 3.26Å; S162-V164 PolarHBondContact O-N 3.42Å; V164-T166 PolarHBondContact O-N 3.48Å; V164-A169 HydrophobicContact CG1-CB 4.08Å; V164-F559 HydrophobicContact CG1-CD1 4.23Å; V164-F559 HydrophobicContact CG2-CD1 4.36Å; V164-F559 HydrophobicContact CG2-CG 4.45Å
165	D	95.2	Very high	96.2	Very high	46 Å²	46	13.6 Å²	13.6	25%	0.246	7%	0.069	C	C	.	.			trans	-74.7	115.1	159.6	-170.9	-33.4	0	0	0	108.2	F115 E167 V168 A169 F559	F115-D165 HydrophobicContact CD1-CB 3.93Å; F115-D165 HydrophobicContact CE1-CB 3.42Å; F115-D165 VanDerWaalsContact CE1-CB 3.42Å; F115-D165 WeakPolarHBondContact CE1-OD2 3.35Å; F115-D165 HydrophobicContact CE2-CB 4.45Å; F115-D165 HydrophobicContact CZ-CB 3.72Å; D165-E167 VanDerWaalsContact C-N 3.31Å; D165-E167 PolarHBondContact O-N 3.22Å; D165-E167 PolarHBondContact OD1-N 3.44Å; D165-V168 HydrophobicContact CB-CB 3.91Å; D165-V168 HydrophobicContact CB-CG2 3.74Å; D165-V168 PolarHBondContact O-N 3.02Å; D165-A169 WeakPolarHBondContact O-CB 3.41Å; D165-A169 PolarHBondContact O-N 2.94Å; D165-F559 WeakPolarHBondContact CA-O 3.34Å; D165-F559 WeakPolarHBondContact CB-O 3.39Å; D165-F559 PolarHBondContact N-O 3.29Å
166	T	95	Very high	96.2	Very high	20 Å²	20	15.5 Å²	15.5	12%	0.123	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-37.6	-175.8	-56.8	0	0	0	0	111.8	W56 Y99 F133 V164 L170	W56-T166 HydrophobicContact CH2-CG2 3.83Å; W56-T166 HydrophobicContact CZ3-CG2 3.73Å; Y99-T166 PolarHBondContact OH-OG1 3.12Å; F133-T166 HydrophobicContact CD1-CG2 4.29Å; F133-T166 HydrophobicContact CE1-CG2 3.73Å; V164-T166 PolarHBondContact O-N 3.48Å; T166-L170 HydrophobicContact CG2-CD1 3.9Å; T166-L170 HydrophobicContact CG2-CG 4.34Å; T166-L170 WeakPolarHBondContact O-CB 3.25Å; T166-L170 WeakPolarHBondContact O-CD1 3.45Å; T166-L170 WeakPolarHBondContact O-CG 3.46Å; T166-L170 PolarHBondContact O-N 2.81Å
167	E	93.6	Very high	96.2	Very high	63 Å²	63	18.3 Å²	18.3	29%	0.294	9%	0.092	S	C	.	.	H	α-helix	trans	-68.9	-40.9	179.9	-70.4	-173.9	-168.7	0	0	111.3	S34 Q36 D165 L170 K171	S34-E167 PolarHBondContact OG-OE2 3.48Å; S34-E167 VanDerWaalsContact OG-OE2 3.07Å; Q36-E167 VanDerWaalsContact CG-OE1 3.23Å; Q36-E167 WeakPolarHBondContact CG-OE1 3.23Å; D165-E167 VanDerWaalsContact C-N 3.31Å; D165-E167 PolarHBondContact O-N 3.22Å; D165-E167 PolarHBondContact OD1-N 3.44Å; E167-L170 PolarHBondContact O-N 3.33Å; E167-K171 WeakPolarHBondContact O-CB 3.34Å; E167-K171 PolarHBondContact O-N 2.77Å
168	V	95.4	Very high	96.4	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-47.8	176.2	178.2	0	0	0	0	110.5	D165 L170 K171 N172 I558 E561	D165-V168 HydrophobicContact CB-CB 3.91Å; D165-V168 HydrophobicContact CB-CG2 3.74Å; D165-V168 PolarHBondContact O-N 3.02Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.13Å; V168-K171 PolarHBondContact O-N 2.75Å; V168-N172 VanDerWaalsContact CG1-ND2 3.33Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.43Å; V168-N172 VanDerWaalsContact O-CB 3.24Å; V168-N172 WeakPolarHBondContact O-CB 3.44Å; V168-N172 PolarHBondContact O-N 3.34Å; V168-I558 WeakPolarHBondContact CG1-O 3.45Å; V168-E561 HydrophobicContact CB-CG 4.48Å; V168-E561 HydrophobicContact CG1-CG 3.8Å; V168-E561 HydrophobicContact CG2-CB 4.16Å; V168-E561 HydrophobicContact CG2-CG 3.79Å
169	A	96.9	Very high	96.5	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-43.1	178.3	0	0	0	0	0	112.1	V164 D165 N172 I173 L180 F559	V164-A169 HydrophobicContact CG1-CB 4.08Å; D165-A169 WeakPolarHBondContact O-CB 3.41Å; D165-A169 PolarHBondContact O-N 2.94Å; A169-N172 PolarHBondContact O-N 2.99Å; A169-I173 WeakPolarHBondContact O-CB 3.5Å; A169-I173 PolarHBondContact O-N 3.3Å; A169-L180 HydrophobicContact CB-CD2 3.96Å; A169-F559 HydrophobicContact CB-CD1 3.91Å; A169-F559 HydrophobicContact CB-CE1 4.3Å
170	L	97.2	Very high	96.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-46.1	176.6	-70.6	171.7	0	0	0	111.6	W56 I58 V63 V65 F133 T166 E167 V168 V174 L175	W56-L170 HydrophobicContact CE3-CD1 3.57Å; W56-L170 HydrophobicContact CZ3-CD1 3.73Å; I58-L170 HydrophobicContact CD1-CB 3.55Å; I58-L170 HydrophobicContact CD1-CD1 3.34Å; I58-L170 HydrophobicContact CD1-CG 4.02Å; V63-L170 HydrophobicContact CB-CD2 4.4Å; V63-L170 HydrophobicContact CG2-CD1 4.12Å; V63-L170 HydrophobicContact CG2-CD2 4.09Å; V65-L170 HydrophobicContact CG2-CD1 4.24Å; V65-L170 HydrophobicContact CG2-CD2 4.42Å; F133-L170 HydrophobicContact CB-CD2 3.73Å; F133-L170 HydrophobicContact CD1-CD2 3.95Å; F133-L170 HydrophobicContact CG-CD2 4.22Å; T166-L170 HydrophobicContact CG2-CD1 3.9Å; T166-L170 HydrophobicContact CG2-CG 4.34Å; T166-L170 WeakPolarHBondContact O-CB 3.25Å; T166-L170 WeakPolarHBondContact O-CD1 3.45Å; T166-L170 WeakPolarHBondContact O-CG 3.46Å; T166-L170 PolarHBondContact O-N 2.81Å; E167-L170 PolarHBondContact O-N 3.33Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.13Å; L170-V174 HydrophobicContact CD2-CB 3.91Å; L170-V174 HydrophobicContact CD2-CG1 4.24Å; L170-V174 HydrophobicContact CD2-CG2 3.69Å; L170-V174 WeakPolarHBondContact O-CA 3.42Å; L170-V174 WeakPolarHBondContact O-CB 3.33Å; L170-V174 PolarHBondContact O-N 3.27Å; L170-L175 WeakPolarHBondContact O-CG 3.22Å; L170-L175 PolarHBondContact O-N 2.76Å
171	K	95.8	Very high	96.6	Very high	90 Å²	90	18.3 Å²	18.3	39%	0.391	9%	0.092	S	C	.	.	H	α-helix	trans	-63.3	-41.9	177.4	174.9	-173.9	166.4	-165	0	112.7	E167 V168 E561	E167-K171 WeakPolarHBondContact O-CB 3.34Å; E167-K171 PolarHBondContact O-N 2.77Å; V168-K171 PolarHBondContact O-N 2.75Å; K171-E561 IonicContact NZ-OE1 2.74Å; K171-E561 PolarHBondContact NZ-OE1 3.07Å
172	N	97.3	Very high	96.7	Very high	6 Å²	6	18 Å²	18	3%	0.032	9%	0.091	C	C	.	.	H	α-helix	trans	-84.1	-31.2	-171.1	-77.3	-8.7	0	0	0	113.3	V168 A169 K176 I558 C583	V168-N172 VanDerWaalsContact CG1-ND2 3.33Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.43Å; V168-N172 VanDerWaalsContact O-CB 3.24Å; V168-N172 WeakPolarHBondContact O-CB 3.44Å; V168-N172 PolarHBondContact O-N 3.34Å; A169-N172 PolarHBondContact O-N 2.99Å; N172-K176 VanDerWaalsContact O-CD 3.27Å; N172-K176 WeakPolarHBondContact O-CD 2.98Å; N172-K176 WeakPolarHBondContact O-CE 3.47Å; N172-I558 PolarHBondContact ND2-O 2.83Å; N172-C583 HydrophobicContact CB-CB 4.2Å
173	I	98.3	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-59.8	-177.2	-58.7	178.7	0	0	0	110.9	I147 A169 K176 V178 L180 I558 F559 T587	I147-I173 HydrophobicContact CD1-CG2 4.3Å; A169-I173 WeakPolarHBondContact O-CB 3.5Å; A169-I173 PolarHBondContact O-N 3.3Å; I173-K176 WeakPolarHBondContact O-CA 3.48Å; I173-K176 WeakPolarHBondContact O-CB 3.3Å; I173-K176 PolarHBondContact O-N 3.34Å; I173-V178 HydrophobicContact CG2-CB 3.94Å; I173-V178 HydrophobicContact CG2-CG1 3.74Å; I173-L180 HydrophobicContact CD1-CD1 3.94Å; I173-L180 HydrophobicContact CD1-CD2 4.17Å; I173-L180 HydrophobicContact CG2-CB 4.09Å; I173-I558 HydrophobicContact CD1-CG2 3.82Å; I173-I558 HydrophobicContact CG1-CG2 4.22Å; I173-F559 HydrophobicContact CD1-CE1 3.82Å; I173-F559 HydrophobicContact CD1-CZ 4.12Å; I173-T587 HydrophobicContact CG2-CG2 4.3Å
174	V	98	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-68.1	-44.2	-167.6	-176.3	0	0	0	0	113	V63 F133 S134 P135 L170 K176 N177 V178 L180	V63-V174 HydrophobicContact CB-CG1 4.24Å; V63-V174 HydrophobicContact CG1-CG1 3.76Å; F133-V174 HydrophobicContact CB-CG2 3.74Å; S134-V174 VanDerWaalsContact C-CG1 3.45Å; P135-V174 HydrophobicContact CG-CG1 4.05Å; L170-V174 HydrophobicContact CD2-CB 3.91Å; L170-V174 HydrophobicContact CD2-CG1 4.24Å; L170-V174 HydrophobicContact CD2-CG2 3.69Å; L170-V174 WeakPolarHBondContact O-CA 3.42Å; L170-V174 WeakPolarHBondContact O-CB 3.33Å; L170-V174 PolarHBondContact O-N 3.27Å; V174-K176 PolarHBondContact O-N 2.75Å; V174-N177 PolarHBondContact O-N 2.79Å; V174-V178 VanDerWaalsContact CA-O 3.29Å; V174-V178 WeakPolarHBondContact CA-O 3.33Å; V174-L180 HydrophobicContact CG2-CB 4.09Å
175	L	96.5	Very high	97.3	Very high	27 Å²	27	17.4 Å²	17.4	14%	0.141	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-66	-10.7	174.8	-65.9	-169.1	0	0	0	113.7	I58 T59 R61 V63 L170 N177	I58-L175 HydrophobicContact CB-CD1 4.27Å; I58-L175 HydrophobicContact CG2-CD1 3.77Å; T59-L175 WeakPolarHBondContact OG1-CD1 3.01Å; R61-L175 HydrophobicContact CB-CD2 3.88Å; R61-L175 PolarHBondContact NH1-O 3.46Å; V63-L175 HydrophobicContact CG1-CD2 3.76Å; L170-L175 WeakPolarHBondContact O-CG 3.22Å; L170-L175 PolarHBondContact O-N 2.76Å; L175-N177 VanDerWaalsContact C-N 3.27Å
176	K	97	Very high	97.5	Very high	40 Å²	40	15.5 Å²	15.5	17%	0.174	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-91.2	23.5	168.4	-52.9	-165.9	-167.8	-43.8	0	111.9	N172 I173 V174 D580 R584 T587 K591	N172-K176 VanDerWaalsContact O-CD 3.27Å; N172-K176 WeakPolarHBondContact O-CD 2.98Å; N172-K176 WeakPolarHBondContact O-CE 3.47Å; I173-K176 WeakPolarHBondContact O-CA 3.48Å; I173-K176 WeakPolarHBondContact O-CB 3.3Å; I173-K176 PolarHBondContact O-N 3.34Å; V174-K176 PolarHBondContact O-N 2.75Å; K176-D580 IonicContact NZ-OD1 2.96Å; K176-D580 PolarHBondContact NZ-OD1 3.42Å; K176-R584 HydrophobicContact CD-CG 4.18Å; K176-T587 HydrophobicContact CB-CG2 4.06Å; K176-T587 HydrophobicContact CD-CG2 4.24Å; K176-K591 WeakPolarHBondContact O-CE 3.39Å; K176-K591 PolarHBondContact O-NZ 2.89Å
177	N	96.8	Very high	97.6	Very high	60 Å²	60	14.6 Å²	14.6	32%	0.321	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	49	175.6	-59.2	-11.2	0	0	0	113	R61 Y144 V174 L175	R61-N177 PolarHBondContact NH1-OD1 3.4Å; R61-N177 PolarHBondContact NH2-OD1 2.97Å; Y144-N177 HydrophobicContact CD1-CB 3.78Å; Y144-N177 HydrophobicContact CE1-CB 3.94Å; V174-N177 PolarHBondContact O-N 2.79Å; L175-N177 VanDerWaalsContact C-N 3.27Å
178	V	98.6	Very high	97.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.			trans	-137	132.8	176.3	173.1	0	0	0	0	108.1	P145 I147 I173 V174 T587 K591	P145-V178 CarbonylContact O-C 3.52Å; P145-V178 WeakPolarHBondContact O-CA 3.34Å; P145-V178 WeakPolarHBondContact O-CG1 3.5Å; I147-V178 HydrophobicContact CB-CG1 4.19Å; I147-V178 HydrophobicContact CD1-CG1 3.73Å; I147-V178 HydrophobicContact CG1-CG1 3.65Å; I173-V178 HydrophobicContact CG2-CB 3.94Å; I173-V178 HydrophobicContact CG2-CG1 3.74Å; V174-V178 VanDerWaalsContact CA-O 3.29Å; V174-V178 WeakPolarHBondContact CA-O 3.33Å; V178-T587 HydrophobicContact CB-CG2 4.38Å; V178-T587 HydrophobicContact CG2-CG2 3.95Å; V178-K591 HydrophobicContact CG2-CG 4.26Å
179	T	98.7	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.6	170.9	-57.3	0	0	0	0	109	I132 F133 S134 P145 V146 I147 V181 I220	I132-T179 HydrophobicContact CG2-CG2 3.91Å; F133-T179 CarbonylContact O-C 3.52Å; F133-T179 WeakPolarHBondContact O-CA 3.47Å; S134-T179 PolarHBondContact OG-OG1 3.44Å; P145-T179 PolarHBondContact O-N 3.41Å; V146-T179 CarbonylContact C-O 3.46Å; V146-T179 WeakPolarHBondContact CA-O 3.31Å; V146-T179 HydrophobicContact CG1-CG2 4.45Å; I147-T179 PolarHBondContact N-O 3.13Å; T179-V181 HydrophobicContact CG2-CG2 4.41Å; T179-I220 HydrophobicContact CG2-CD1 4.19Å
180	L	98.9	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133	171.6	176.2	66.5	0	0	0	109.2	F133 I147 W149 A169 I173 V174 T182 F559	F133-L180 HydrophobicContact CB-CB 4.28Å; F133-L180 HydrophobicContact CD2-CB 4.26Å; F133-L180 HydrophobicContact CD2-CD2 4.12Å; F133-L180 HydrophobicContact CD2-CG 4.14Å; F133-L180 WeakPolarHBondContact CD2-O 3.35Å; F133-L180 PolarHBondContact N-O 2.93Å; F133-L180 PolarHBondContact O-N 3.5Å; I147-L180 HydrophobicContact CB-CD1 4.48Å; I147-L180 HydrophobicContact CG2-CD1 4.15Å; I147-L180 CarbonylContact O-C 3.59Å; W149-L180 HydrophobicContact CB-CD1 4.16Å; A169-L180 HydrophobicContact CB-CD2 3.96Å; I173-L180 HydrophobicContact CD1-CD1 3.94Å; I173-L180 HydrophobicContact CD1-CD2 4.17Å; I173-L180 HydrophobicContact CG2-CB 4.09Å; V174-L180 HydrophobicContact CG2-CB 4.09Å; L180-T182 HydrophobicContact CD2-CG2 4.32Å; L180-T182 HydrophobicContact CG-CG2 4.25Å; L180-F559 HydrophobicContact CD2-CE1 4.14Å
181	V	98.9	Very high	97.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.4	169.3	-179.1	0	0	0	0	108.4	L130 N131 I132 V146 I147 V148 W149 T179 L216 I220	L130-V181 HydrophobicContact CB-CG1 4.37Å; N131-V181 VanDerWaalsContact O-CA 3.24Å; N131-V181 WeakPolarHBondContact O-CA 3.5Å; N131-V181 WeakPolarHBondContact O-CG1 3.1Å; I132-V181 HydrophobicContact CG1-CG2 4.28Å; V146-V181 HydrophobicContact CG1-CG2 3.79Å; I147-V181 PolarHBondContact O-N 3.26Å; V148-V181 HydrophobicContact CG2-CB 4.28Å; W149-V181 PolarHBondContact N-O 3.3Å; T179-V181 HydrophobicContact CG2-CG2 4.41Å; V181-L216 HydrophobicContact CB-CD1 4.45Å; V181-L216 HydrophobicContact CG1-CD1 4.08Å; V181-L216 HydrophobicContact CG1-CD2 4.05Å; V181-L216 HydrophobicContact CG2-CD1 4.32Å; V181-L216 HydrophobicContact CG2-CD2 3.84Å; V181-I220 HydrophobicContact CG2-CD1 4.14Å
182	T	98.9	Very high	97.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146	168.7	72.2	0	0	0	0	109.1	L130 N131 F133 W149 S160 L180	L130-T182 CarbonylContact C-O 3.59Å; L130-T182 VanDerWaalsContact CA-O 3.27Å; L130-T182 WeakPolarHBondContact CA-O 3.13Å; L130-T182 WeakPolarHBondContact CB-O 3.16Å; N131-T182 PolarHBondContact N-O 3.49Å; N131-T182 PolarHBondContact ND2-O 3.11Å; N131-T182 PolarHBondContact ND2-OG1 2.67Å; N131-T182 PolarHBondContact O-N 3Å; N131-T182 VanDerWaalsContact O-N 3.11Å; F133-T182 HydrophobicContact CE2-CG2 4.16Å; W149-T182 HydrophobicContact CB-CG2 4.14Å; W149-T182 HydrophobicContact CG-CG2 4.46Å; S160-T182 WeakPolarHBondContact O-CB 3.44Å; S160-T182 PolarHBondContact O-OG1 2.77Å; L180-T182 HydrophobicContact CD2-CG2 4.32Å; L180-T182 HydrophobicContact CG-CG2 4.25Å
183	L	98.9	Very high	97.8	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.01	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.2	-177.1	65	138.8	0	0	0	113.2	Y71 L130 V148 W149 I150 H151 S160 Q209 A212	Y71-L183 HydrophobicContact CE1-CB 4.47Å; L130-L183 HydrophobicContact CB-CB 3.94Å; V148-L183 HydrophobicContact CG1-CD2 3.39Å; W149-L183 WeakPolarHBondContact O-CD2 3.2Å; I150-L183 HydrophobicContact CG1-CD2 4.38Å; H151-L183 PolarHBondContact CD2-O 2.96Å; S160-L183 VanDerWaalsContact CB-C 3.48Å; L183-Q209 HydrophobicContact CD1-CB 4.39Å; L183-Q209 HydrophobicContact CD1-CG 4.1Å; L183-A212 HydrophobicContact CD1-CB 3.79Å
184	N	98.9	Very high	97.6	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.039	C	C	.	.			trans	-91	152.4	163.4	-72.1	-22.2	0	0	0	109.7	Y71 P101 C127 Y129 S159 S160	Y71-N184 PolarHBondContact OH-O 2.86Å; P101-N184 PolarHBondContact O-ND2 3.21Å; C127-N184 WeakPolarHBondContact O-CB 3.41Å; C127-N184 PolarHBondContact O-ND2 2.89Å; Y129-N184 PolarHBondContact O-N 3.2Å; S159-N184 WeakPolarHBondContact CA-OD1 3.06Å; S160-N184 WeakPolarHBondContact CB-OD1 3.48Å; S160-N184 PolarHBondContact N-OD1 3.14Å; S160-N184 PolarHBondContact OG-OD1 2.98Å
185	Y	98.9	Very high	97.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.			trans	-144.6	154.7	169.2	56.5	-88.3	0	0	0	109.1	C103 I150 H151 L155 L187 F192 Q209	C103-Y185 PolarHBondContact SG-O 3.04Å; I150-Y185 HydrophobicContact CG2-CD1 4.27Å; I150-Y185 HydrophobicContact CG2-CE1 3.66Å; H151-Y185 AromaticContact CD2-CE1 3.74Å; H151-Y185 AromaticContact CE1-CE1 3.44Å; H151-Y185 VanDerWaalsContact CE1-CE1 3.44Å; H151-Y185 WeakPolarHBondContact CE1-CE1 3.34Å; H151-Y185 AromaticContact CE1-CZ 3.57Å; H151-Y185 AromaticContact ND1-CE1 3.89Å; H151-Y185 AromaticContact ND1-CZ 3.98Å; H151-Y185 AromaticContact NE2-CD1 3.76Å; H151-Y185 AromaticContact NE2-CE1 3.34Å; H151-Y185 VanDerWaalsContact NE2-CE1 3.34Å; H151-Y185 WeakPolarHBondContact NE2-CE1 3.31Å; H151-Y185 AromaticContact NE2-CZ 3.95Å; H151-Y185 PolarHBondContact O-OH 2.85Å; L155-Y185 HydrophobicContact CD2-CE2 3.87Å; Y185-L187 HydrophobicContact CD2-CD2 3.97Å; Y185-L187 HydrophobicContact CE2-CD2 3.43Å; Y185-L187 VanDerWaalsContact CE2-CD2 3.43Å; Y185-F192 HydrophobicContact CE2-CE2 4.5Å; Y185-F192 HydrophobicContact CE2-CZ 4.5Å; Y185-Q209 HydrophobicContact CD1-CG 4.07Å; Y185-Q209 HydrophobicContact CG-CG 3.98Å
186	R	98.7	Very high	96.9	Very high	6 Å²	6	11.6 Å²	11.6	2%	0.023	7%	0.068	C	C	.	.			trans	-61.9	143	-178.3	-74.6	171.7	-75.2	176.5	-4.4	111.4	P75 Q82 L128 L190 G191 F192 D208	P75-R186 HydrophobicContact CG-CG 4.18Å; Q82-R186 PolarHBondContact O-NH1 3.12Å; Q82-R186 PolarHBondContact O-NH2 2.88Å; L128-R186 HydrophobicContact CD2-CG 4.18Å; R186-L190 HydrophobicContact CB-CB 4.42Å; R186-G191 VanDerWaalsContact CB-CA 3.5Å; R186-G191 WeakPolarHBondContact O-CA 3.47Å; R186-F192 VanDerWaalsContact O-CE2 3.3Å; R186-F192 WeakPolarHBondContact O-CE2 3.4Å; R186-D208 WeakPolarHBondContact CB-OD2 3.37Å; R186-D208 VanDerWaalsContact CG-OD2 3.26Å; R186-D208 WeakPolarHBondContact CG-OD2 3.41Å; R186-D208 IonicContact CZ-OD1 2.74Å; R186-D208 VanDerWaalsContact CZ-OD1 3.31Å; R186-D208 IonicContact CZ-OD2 3.75Å; R186-D208 PolarHBondContact N-OD2 2.94Å; R186-D208 IonicContact NE-OD1 3.56Å; R186-D208 PolarHBondContact NE-OD1 3.23Å; R186-D208 VanDerWaalsContact NE-OD1 3.17Å; R186-D208 IonicContact NE-OD2 2.66Å; R186-D208 PolarHBondContact NE-OD2 3.4Å; R186-D208 IonicContact NH2-OD1 3.24Å; R186-D208 PolarHBondContact NH2-OD1 2.94Å; R186-D208 IonicContact NH2-OD2 2.67Å
187	L	98.1	Very high	96.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	7%	0.066	C	C	.	.			trans	-121	161.2	-174.3	-61.5	167.7	0	0	0	111.7	C103 G158 Y185 L190 G191	C103-L187 HydrophobicContact CB-CD1 4.3Å; C103-L187 HydrophobicContact CB-CG 4.45Å; G158-L187 WeakPolarHBondContact O-CD1 3.32Å; Y185-L187 HydrophobicContact CD2-CD2 3.97Å; Y185-L187 HydrophobicContact CE2-CD2 3.43Å; Y185-L187 VanDerWaalsContact CE2-CD2 3.43Å; L187-L190 PolarHBondContact O-N 2.76Å; L187-L190 VanDerWaalsContact O-N 3.17Å; L187-G191 PolarHBondContact O-N 3.34Å
188	G	95.6	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	50.7	-137.2	177.7	0	0	0	0	0	112.9	L155 L156 L190 G191 F192	L155-G188 PolarHBondContact O-N 3.35Å; L156-G188 VanDerWaalsContact CD2-CA 3.49Å; G188-L190 PolarHBondContact O-N 3.36Å; G188-G191 PolarHBondContact O-N 3.27Å; G188-G191 VanDerWaalsContact O-N 3.14Å; G188-F192 WeakPolarHBondContact O-CA 3.24Å; G188-F192 WeakPolarHBondContact O-CB 3.45Å; G188-F192 PolarHBondContact O-N 3.48Å
189	P	95.8	Very high	95.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-31.9	-179.4	23.6	-32.7	0	0	0	112.6	F81 F106 G191 L193 W279 L284 F339	F81-P189 VanDerWaalsContact CE1-O 3.29Å; F81-P189 WeakPolarHBondContact CE1-O 3.39Å; F106-P189 HydrophobicContact CD1-CG 4.22Å; F106-P189 HydrophobicContact CE1-CG 3.59Å; F106-P189 HydrophobicContact CE2-CG 3.93Å; F106-P189 HydrophobicContact CZ-CG 3.42Å; F106-P189 VanDerWaalsContact CZ-CG 3.42Å; P189-G191 VanDerWaalsContact C-N 3.32Å; P189-G191 PolarHBondContact O-N 3.42Å; P189-L193 WeakPolarHBondContact O-CB 3.36Å; P189-L193 PolarHBondContact O-N 2.85Å; P189-W279 HydrophobicContact CB-CE3 3.74Å; P189-W279 HydrophobicContact CB-CZ3 4.01Å; P189-W279 VanDerWaalsContact CD-CZ3 3.48Å; P189-W279 HydrophobicContact CG-CE3 4.04Å; P189-W279 HydrophobicContact CG-CZ3 3.8Å; P189-L284 HydrophobicContact CB-CD1 4.41Å; P189-L284 HydrophobicContact CB-CD2 3.74Å; P189-F339 HydrophobicContact CB-CE1 3.96Å; P189-F339 HydrophobicContact CB-CZ 4.41Å; P189-F339 HydrophobicContact CG-CD1 3.88Å; P189-F339 HydrophobicContact CG-CE1 3.66Å
190	L	97.5	Very high	94.7	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-32.3	179.7	-67	169.4	0	0	0	112.8	R80 F81 I104 F106 E125 R186 L187 G188 F339	R80-L190 HydrophobicContact CG-CD2 4.09Å; F81-L190 HydrophobicContact CE1-CD2 4.11Å; F81-L190 HydrophobicContact CZ-CD2 4.48Å; I104-L190 HydrophobicContact CB-CD1 3.83Å; I104-L190 HydrophobicContact CG1-CD1 3.96Å; I104-L190 HydrophobicContact CG2-CD1 4.41Å; F106-L190 HydrophobicContact CE2-CD1 4.41Å; F106-L190 HydrophobicContact CZ-CD1 4.48Å; E125-L190 HydrophobicContact CG-CD1 3.82Å; E125-L190 HydrophobicContact CG-CD2 4.5Å; R186-L190 HydrophobicContact CB-CB 4.42Å; L187-L190 PolarHBondContact O-N 2.76Å; L187-L190 VanDerWaalsContact O-N 3.17Å; G188-L190 PolarHBondContact O-N 3.36Å; L190-F339 HydrophobicContact CD1-CB 4.21Å; L190-F339 HydrophobicContact CD2-CB 4.49Å; L190-F339 HydrophobicContact CD2-CD2 3.64Å; L190-F339 HydrophobicContact CD2-CE2 4.09Å; L190-F339 HydrophobicContact CD2-CG 4.12Å; L190-F339 HydrophobicContact CG-CB 4.46Å; L190-F339 HydrophobicContact CG-CD2 4.28Å; L190-F339 HydrophobicContact CG-CG 4.28Å
191	G	97.8	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-98.6	-29	179.9	0	0	0	0	0	114.8	R186 L187 G188 P189 N203 F204 G205	R186-G191 VanDerWaalsContact CB-CA 3.5Å; R186-G191 WeakPolarHBondContact O-CA 3.47Å; L187-G191 PolarHBondContact O-N 3.34Å; G188-G191 PolarHBondContact O-N 3.27Å; G188-G191 VanDerWaalsContact O-N 3.14Å; P189-G191 VanDerWaalsContact C-N 3.32Å; P189-G191 PolarHBondContact O-N 3.42Å; G191-N203 CarbonylContact O-C 3.58Å; G191-F204 CarbonylContact O-C 3.53Å; G191-F204 WeakPolarHBondContact O-CA 3.36Å; G191-F204 WeakPolarHBondContact O-CB 3.18Å; G191-F204 PolarHBondContact O-N 2.67Å; G191-G205 PolarHBondContact O-N 2.84Å
192	F	96.8	Very high	94.1	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-133	18.5	-163.9	-60.9	-84.4	0	0	0	113	L155 Y185 R186 G188 S194 I206 W279 V373	L155-F192 HydrophobicContact CB-CD2 3.92Å; L155-F192 HydrophobicContact CB-CE1 4.39Å; L155-F192 HydrophobicContact CB-CE2 3.6Å; L155-F192 HydrophobicContact CB-CG 4.48Å; L155-F192 HydrophobicContact CB-CZ 3.86Å; L155-F192 HydrophobicContact CD1-CD1 4.06Å; L155-F192 HydrophobicContact CD1-CE1 3.58Å; L155-F192 HydrophobicContact CD1-CE2 4.31Å; L155-F192 HydrophobicContact CD1-CZ 3.74Å; L155-F192 HydrophobicContact CD2-CE1 4.33Å; L155-F192 HydrophobicContact CD2-CE2 4.14Å; L155-F192 HydrophobicContact CD2-CZ 3.67Å; L155-F192 HydrophobicContact CG-CE1 4.3Å; L155-F192 HydrophobicContact CG-CE2 4.21Å; L155-F192 HydrophobicContact CG-CZ 3.94Å; Y185-F192 HydrophobicContact CE2-CE2 4.5Å; Y185-F192 HydrophobicContact CE2-CZ 4.5Å; R186-F192 VanDerWaalsContact O-CE2 3.3Å; R186-F192 WeakPolarHBondContact O-CE2 3.4Å; G188-F192 WeakPolarHBondContact O-CA 3.24Å; G188-F192 WeakPolarHBondContact O-CB 3.45Å; G188-F192 PolarHBondContact O-N 3.48Å; F192-S194 PolarHBondContact O-N 2.88Å; F192-I206 HydrophobicContact CE1-CD1 4.12Å; F192-I206 HydrophobicContact CE1-CG1 4Å; F192-I206 HydrophobicContact CZ-CD1 4.34Å; F192-W279 WeakPolarHBondContact O-CB 3.27Å; F192-V373 HydrophobicContact CE1-CG2 4.46Å
193	L	96.1	Very high	94	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.129	C	C	.	.			trans	-58.7	128.3	164	-177.9	69.8	0	0	0	109.7	F81 P189 T195 G202 F204 W279 V281 L284 Y330	F81-L193 HydrophobicContact CD1-CB 4.19Å; F81-L193 HydrophobicContact CD1-CD2 3.77Å; F81-L193 HydrophobicContact CD2-CD2 3.88Å; F81-L193 HydrophobicContact CE1-CB 4.24Å; F81-L193 HydrophobicContact CE1-CD2 3.82Å; F81-L193 HydrophobicContact CE2-CD2 3.94Å; F81-L193 HydrophobicContact CG-CD2 3.81Å; F81-L193 HydrophobicContact CZ-CD2 3.9Å; P189-L193 WeakPolarHBondContact O-CB 3.36Å; P189-L193 PolarHBondContact O-N 2.85Å; L193-T195 HydrophobicContact CG-CG2 4.38Å; L193-G202 WeakPolarHBondContact O-CA 3.38Å; L193-F204 HydrophobicContact CB-CE2 4.33Å; L193-F204 WeakPolarHBondContact O-CE2 3.31Å; L193-W279 CarbonylContact C-O 3.51Å; L193-W279 WeakPolarHBondContact CA-O 3.49Å; L193-V281 HydrophobicContact CD1-CG2 4.12Å; L193-V281 HydrophobicContact CD2-CG2 4.23Å; L193-V281 HydrophobicContact CG-CG2 4.21Å; L193-L284 HydrophobicContact CD1-CB 4.39Å; L193-L284 HydrophobicContact CD1-CD2 3.83Å; L193-Y330 HydrophobicContact CD2-CD2 4.36Å
194	S	93.5	Very high	94	Very high	8 Å²	8	21.5 Å²	21.5	6%	0.056	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-108.2	137.5	178.2	59	0	0	0	0	110.6	F192 K201 P277 W279 S280 V281	F192-S194 PolarHBondContact O-N 2.88Å; S194-K201 WeakPolarHBondContact CA-O 3.46Å; S194-P277 VanDerWaalsContact OG-CB 3.28Å; S194-P277 WeakPolarHBondContact OG-CB 3.37Å; S194-P277 VanDerWaalsContact OG-CG 3.29Å; S194-P277 WeakPolarHBondContact OG-CG 3.41Å; S194-W279 PolarHBondContact N-O 2.88Å; S194-W279 PolarHBondContact OG-O 3.46Å; S194-S280 WeakPolarHBondContact OG-CA 3.28Å; S194-V281 PolarHBondContact O-N 3.08Å
195	T	92.7	Very high	94	Very high	17 Å²	17	21.5 Å²	21.5	10%	0.104	13%	0.129	C	C	.	.			trans	-137.4	156.7	-178.7	91.9	0	0	0	0	110	L193 L197 A200 K201 V281 E326 Y330	L193-T195 HydrophobicContact CG-CG2 4.38Å; T195-L197 VanDerWaalsContact OG1-CB 3.31Å; T195-L197 WeakPolarHBondContact OG1-CB 3.45Å; T195-L197 PolarHBondContact OG1-N 3.18Å; T195-A200 WeakPolarHBondContact CB-O 3.47Å; T195-A200 WeakPolarHBondContact CG2-O 3.36Å; T195-A200 VanDerWaalsContact OG1-C 3.32Å; T195-A200 PolarHBondContact OG1-O 2.63Å; T195-K201 PolarHBondContact N-O 2.86Å; T195-V281 HydrophobicContact CG2-CG2 3.47Å; T195-V281 VanDerWaalsContact CG2-CG2 3.47Å; T195-E326 WeakPolarHBondContact CA-OE1 3.46Å; T195-Y330 HydrophobicContact CG2-CD2 3.81Å; T195-Y330 HydrophobicContact CG2-CE2 4.07Å
196	S	89.1	Confident	94	Very high	94 Å²	94	21.5 Å²	21.5	66%	0.657	13%	0.129	S	C	*	.	S	Bend	trans	-83.7	0.2	169.3	82	0	0	0	0	113.2	E326	S196-E326 WeakPolarHBondContact CB-OE2 3.46Å; S196-E326 PolarHBondContact N-OE1 3.45Å; S196-E326 PolarHBondContact OG-OE2 3.36Å
197	L	88.4	Confident	94	Very high	24 Å²	24	22.6 Å²	22.6	13%	0.126	13%	0.134	C	C	.	.			trans	-73.2	133.4	-178.1	-52.2	176.8	0	0	0	110.5	T195 D199 A200 K201 K327 Y330	T195-L197 VanDerWaalsContact OG1-CB 3.31Å; T195-L197 WeakPolarHBondContact OG1-CB 3.45Å; T195-L197 PolarHBondContact OG1-N 3.18Å; L197-D199 VanDerWaalsContact C-N 3.27Å; L197-D199 PolarHBondContact O-N 3.33Å; L197-A200 HydrophobicContact CB-CB 4.45Å; L197-A200 PolarHBondContact O-N 3.21Å; L197-K201 WeakPolarHBondContact O-CG 3.35Å; L197-K201 PolarHBondContact O-N 2.87Å; L197-K327 HydrophobicContact CD2-CB 4Å; L197-K327 HydrophobicContact CD2-CG 4.49Å; L197-Y330 HydrophobicContact CD1-CD1 3.71Å; L197-Y330 HydrophobicContact CD1-CD2 4.1Å; L197-Y330 HydrophobicContact CD1-CE1 4.31Å; L197-Y330 HydrophobicContact CD1-CG 3.61Å
198	S	84.7	Confident	94	Very high	105 Å²	105	22.5 Å²	22.5	73%	0.734	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.4	-176.5	52.4	0	0	0	0	113.9
199	D	83.2	Confident	94.1	Very high	117 Å²	117	22.6 Å²	22.6	63%	0.626	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-10.1	-176.8	55.3	-24.5	0	0	0	113.9	L197	L197-D199 VanDerWaalsContact C-N 3.27Å; L197-D199 PolarHBondContact O-N 3.33Å
200	A	88.1	Confident	94.3	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.033	14%	0.136	C	C	.	.			trans	-143.3	44.6	-175.4	0	0	0	0	0	112.8	T195 L197 G202 F204 Y330	T195-A200 WeakPolarHBondContact CB-O 3.47Å; T195-A200 WeakPolarHBondContact CG2-O 3.36Å; T195-A200 VanDerWaalsContact OG1-C 3.32Å; T195-A200 PolarHBondContact OG1-O 2.63Å; L197-A200 HydrophobicContact CB-CB 4.45Å; L197-A200 PolarHBondContact O-N 3.21Å; A200-G202 VanDerWaalsContact C-N 3.3Å; A200-G202 PolarHBondContact O-N 3.34Å; A200-F204 HydrophobicContact CB-CZ 4.38Å; A200-Y330 HydrophobicContact CB-CE1 4.44Å; A200-Y330 HydrophobicContact CB-CE2 3.86Å; A200-Y330 WeakPolarHBondContact CB-OH 3.35Å
201	K	90.3	Very high	94.4	Very high	51 Å²	51	24.4 Å²	24.4	22%	0.222	14%	0.142	C	C	.	.			trans	-56	-38.4	-172.2	-62.5	175.6	-175.5	162	0	114.5	S194 T195 L197 I374 D376 E378	S194-K201 WeakPolarHBondContact CA-O 3.46Å; T195-K201 PolarHBondContact N-O 2.86Å; L197-K201 WeakPolarHBondContact O-CG 3.35Å; L197-K201 PolarHBondContact O-N 2.87Å; K201-I374 WeakPolarHBondContact O-CD1 3.4Å; K201-D376 HydrophobicContact CD-CB 4.16Å; K201-D376 WeakPolarHBondContact CD-O 3.26Å; K201-D376 PolarHBondContact NZ-O 2.86Å; K201-E378 IonicContact NZ-OE1 3.3Å; K201-E378 PolarHBondContact NZ-OE1 3.17Å
202	G	94.6	Very high	94.4	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.031	14%	0.143	C	C	.	.	S	Bend	trans	136.6	-152.4	-177.8	0	0	0	0	0	112.6	L193 A200 F204	L193-G202 WeakPolarHBondContact O-CA 3.38Å; A200-G202 VanDerWaalsContact C-N 3.3Å; A200-G202 PolarHBondContact O-N 3.34Å; G202-F204 PolarHBondContact O-N 3.17Å; G202-F204 VanDerWaalsContact O-N 3.16Å
203	N	96.8	Very high	94.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	14%	0.143	C	C	.	.			trans	55.3	26.8	-178	-63.4	-25.8	0	0	0	114.1	G191 G205 I206 W207 V373 I374 D376 I379	G191-N203 CarbonylContact O-C 3.58Å; N203-G205 VanDerWaalsContact C-N 3.27Å; N203-G205 PolarHBondContact O-N 3.14Å; N203-I206 HydrophobicContact CB-CB 4.4Å; N203-I206 HydrophobicContact CB-CG1 4.49Å; N203-I206 PolarHBondContact O-N 3.34Å; N203-W207 VanDerWaalsContact O-CD1 3.32Å; N203-W207 PolarHBondContact O-N 2.89Å; N203-V373 WeakPolarHBondContact OD1-CA 3.37Å; N203-V373 VanDerWaalsContact OD1-CG1 3.31Å; N203-V373 WeakPolarHBondContact OD1-CG1 3.12Å; N203-I374 PolarHBondContact ND2-O 2.9Å; N203-I374 WeakPolarHBondContact OD1-CG1 3.3Å; N203-I374 PolarHBondContact OD1-N 3.15Å; N203-D376 PolarHBondContact ND2-OD2 3.08Å; N203-I379 HydrophobicContact CB-CD1 3.86Å
204	F	98.2	Very high	94.6	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-57.7	-38.4	-176	-52.8	-59.4	0	0	0	112.8	F81 Q82 G191 L193 A200 G202 I206 W207 D208	F81-F204 VanDerWaalsContact C-CE1 3.45Å; F81-F204 VanDerWaalsContact C-CZ 3.44Å; F81-F204 HydrophobicContact CB-CD2 4.49Å; F81-F204 HydrophobicContact CB-CE2 3.8Å; F81-F204 HydrophobicContact CB-CZ 3.98Å; F81-F204 HydrophobicContact CD1-CD2 4.5Å; F81-F204 HydrophobicContact CD1-CE2 4.29Å; F81-F204 HydrophobicContact CG-CE2 4.48Å; F81-F204 WeakPolarHBondContact O-CE1 3.45Å; F81-F204 WeakPolarHBondContact O-CZ 3.49Å; Q82-F204 VanDerWaalsContact C-CD1 3.48Å; Q82-F204 WeakPolarHBondContact O-CD1 3.43Å; G191-F204 CarbonylContact O-C 3.53Å; G191-F204 WeakPolarHBondContact O-CA 3.36Å; G191-F204 WeakPolarHBondContact O-CB 3.18Å; G191-F204 PolarHBondContact O-N 2.67Å; L193-F204 HydrophobicContact CB-CE2 4.33Å; L193-F204 WeakPolarHBondContact O-CE2 3.31Å; A200-F204 HydrophobicContact CB-CZ 4.38Å; G202-F204 PolarHBondContact O-N 3.17Å; G202-F204 VanDerWaalsContact O-N 3.16Å; F204-I206 VanDerWaalsContact C-N 3.32Å; F204-I206 PolarHBondContact O-N 2.86Å; F204-W207 PolarHBondContact O-N 2.85Å; F204-D208 PolarHBondContact O-N 3.31Å
205	G	98.5	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-31.3	175	0	0	0	0	0	113.4	G191 N203 D208 Q209	G191-G205 PolarHBondContact O-N 2.84Å; N203-G205 VanDerWaalsContact C-N 3.27Å; N203-G205 PolarHBondContact O-N 3.14Å; G205-D208 WeakPolarHBondContact O-CB 3.46Å; G205-Q209 WeakPolarHBondContact O-CG 3.46Å; G205-Q209 PolarHBondContact O-N 3.33Å
206	I	98.7	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-75.2	-39.9	172.1	-54.4	-57	0	0	0	110.3	F192 N203 F204 D208 Q209 I210 L244 L245 V373 I379	F192-I206 HydrophobicContact CE1-CD1 4.12Å; F192-I206 HydrophobicContact CE1-CG1 4Å; F192-I206 HydrophobicContact CZ-CD1 4.34Å; N203-I206 HydrophobicContact CB-CB 4.4Å; N203-I206 HydrophobicContact CB-CG1 4.49Å; N203-I206 PolarHBondContact O-N 3.34Å; F204-I206 VanDerWaalsContact C-N 3.32Å; F204-I206 PolarHBondContact O-N 2.86Å; I206-D208 PolarHBondContact O-N 2.87Å; I206-Q209 WeakPolarHBondContact O-CB 3.35Å; I206-Q209 PolarHBondContact O-N 2.88Å; I206-Q209 VanDerWaalsContact O-N 3.13Å; I206-I210 HydrophobicContact CG2-CD1 4.15Å; I206-I210 WeakPolarHBondContact O-CG1 3.23Å; I206-I210 PolarHBondContact O-N 2.9Å; I206-L244 HydrophobicContact CD1-CD2 4.19Å; I206-L244 HydrophobicContact CG1-CD2 4.07Å; I206-L244 HydrophobicContact CG2-CD2 3.87Å; I206-L245 HydrophobicContact CG2-CD2 4.21Å; I206-V373 HydrophobicContact CD1-CG2 3.99Å; I206-V373 HydrophobicContact CG1-CG1 4.39Å; I206-V373 HydrophobicContact CG1-CG2 3.94Å; I206-I379 HydrophobicContact CB-CD1 3.99Å; I206-I379 HydrophobicContact CG2-CD1 3.81Å; I206-I379 HydrophobicContact CG2-CG2 4.03Å
207	W	98.6	Very high	95.6	Very high	29 Å²	29	23.8 Å²	23.8	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-34.8	173.3	-77.2	111	0	0	0	112.4	K83 P84 N203 F204 I210 E211 V250 E378 I379	K83-W207 HydrophobicContact CD-CD2 3.83Å; K83-W207 HydrophobicContact CD-CE3 4.19Å; K83-W207 HydrophobicContact CD-CG 4.23Å; K83-W207 HydrophobicContact CD-CZ2 4.18Å; K83-W207 HydrophobicContact CD-CZ3 4.5Å; K83-W207 VanDerWaalsContact CE-CE2 3.41Å; K83-W207 HydrophobicContact CG-CD2 4.12Å; K83-W207 HydrophobicContact CG-CG 3.96Å; P84-W207 HydrophobicContact CG-CB 4.25Å; P84-W207 WeakPolarHBondContact CG-O 3.5Å; N203-W207 VanDerWaalsContact O-CD1 3.32Å; N203-W207 PolarHBondContact O-N 2.89Å; F204-W207 PolarHBondContact O-N 2.85Å; W207-I210 HydrophobicContact CD2-CD1 4.31Å; W207-I210 HydrophobicContact CE3-CB 4.33Å; W207-I210 HydrophobicContact CE3-CD1 3.88Å; W207-I210 HydrophobicContact CE3-CG2 4.23Å; W207-I210 HydrophobicContact CZ3-CD1 4.11Å; W207-I210 HydrophobicContact CZ3-CG2 4.28Å; W207-I210 PolarHBondContact O-N 2.72Å; W207-E211 PolarHBondContact O-N 2.84Å; W207-V250 HydrophobicContact CH2-CG1 3.87Å; W207-V250 HydrophobicContact CH2-CG2 4.11Å; W207-V250 HydrophobicContact CZ3-CG1 3.7Å; W207-E378 HydrophobicContact CZ2-CB 4.13Å; W207-I379 HydrophobicContact CD2-CD1 3.85Å; W207-I379 HydrophobicContact CD2-CG1 4.3Å; W207-I379 VanDerWaalsContact CE2-CD1 3.47Å; W207-I379 HydrophobicContact CG-CD1 3.95Å; W207-I379 HydrophobicContact CH2-CG1 4.17Å; W207-I379 HydrophobicContact CZ2-CD1 3.97Å; W207-I379 HydrophobicContact CZ2-CG1 3.58Å; W207-I379 VanDerWaalsContact NE1-CD1 3.33Å
208	D	98.9	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-45.7	172	-65.1	-20.9	0	0	0	111.8	Y71 P84 L128 R186 F204 G205 I206 I210 E211 A212	Y71-D208 VanDerWaalsContact CE2-O 3.31Å; Y71-D208 WeakPolarHBondContact CE2-O 3.3Å; P84-D208 WeakPolarHBondContact CB-OD1 3.38Å; L128-D208 HydrophobicContact CD2-CB 4.01Å; L128-D208 WeakPolarHBondContact CD2-OD2 3.49Å; R186-D208 WeakPolarHBondContact CB-OD2 3.37Å; R186-D208 VanDerWaalsContact CG-OD2 3.26Å; R186-D208 WeakPolarHBondContact CG-OD2 3.41Å; R186-D208 IonicContact CZ-OD1 2.74Å; R186-D208 VanDerWaalsContact CZ-OD1 3.31Å; R186-D208 IonicContact CZ-OD2 3.75Å; R186-D208 PolarHBondContact N-OD2 2.94Å; R186-D208 IonicContact NE-OD1 3.56Å; R186-D208 PolarHBondContact NE-OD1 3.23Å; R186-D208 VanDerWaalsContact NE-OD1 3.17Å; R186-D208 IonicContact NE-OD2 2.66Å; R186-D208 PolarHBondContact NE-OD2 3.4Å; R186-D208 IonicContact NH2-OD1 3.24Å; R186-D208 PolarHBondContact NH2-OD1 2.94Å; R186-D208 IonicContact NH2-OD2 2.67Å; F204-D208 PolarHBondContact O-N 3.31Å; G205-D208 WeakPolarHBondContact O-CB 3.46Å; I206-D208 PolarHBondContact O-N 2.87Å; D208-I210 VanDerWaalsContact C-N 3.34Å; D208-I210 PolarHBondContact O-N 3.35Å; D208-E211 PolarHBondContact O-N 2.99Å; D208-A212 PolarHBondContact O-N 3.25Å
209	Q	98.9	Very high	96.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-38.2	176	-60.3	167.1	14.6	0	0	111.7	L183 Y185 G205 I206 A212 L213 S241 L245	L183-Q209 HydrophobicContact CD1-CB 4.39Å; L183-Q209 HydrophobicContact CD1-CG 4.1Å; Y185-Q209 HydrophobicContact CD1-CG 4.07Å; Y185-Q209 HydrophobicContact CG-CG 3.98Å; G205-Q209 WeakPolarHBondContact O-CG 3.46Å; G205-Q209 PolarHBondContact O-N 3.33Å; I206-Q209 WeakPolarHBondContact O-CB 3.35Å; I206-Q209 PolarHBondContact O-N 2.88Å; I206-Q209 VanDerWaalsContact O-N 3.13Å; Q209-A212 PolarHBondContact O-N 2.82Å; Q209-L213 WeakPolarHBondContact O-CG 3.49Å; Q209-L213 PolarHBondContact O-N 3.37Å; Q209-S241 PolarHBondContact NE2-OG 3.13Å; Q209-S241 VanDerWaalsContact OE1-CB 3.27Å; Q209-L245 HydrophobicContact CB-CD1 4.11Å
210	I	98.9	Very high	97.5	Very high	11 Å²	11	14.7 Å²	14.7	6%	0.056	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-43.1	175.3	-66.6	168.3	0	0	0	111	I206 W207 D208 L213 A214 L245 V250 T251 I379	I206-I210 HydrophobicContact CG2-CD1 4.15Å; I206-I210 WeakPolarHBondContact O-CG1 3.23Å; I206-I210 PolarHBondContact O-N 2.9Å; W207-I210 HydrophobicContact CD2-CD1 4.31Å; W207-I210 HydrophobicContact CE3-CB 4.33Å; W207-I210 HydrophobicContact CE3-CD1 3.88Å; W207-I210 HydrophobicContact CE3-CG2 4.23Å; W207-I210 HydrophobicContact CZ3-CD1 4.11Å; W207-I210 HydrophobicContact CZ3-CG2 4.28Å; W207-I210 PolarHBondContact O-N 2.72Å; D208-I210 VanDerWaalsContact C-N 3.34Å; D208-I210 PolarHBondContact O-N 3.35Å; I210-L213 WeakPolarHBondContact O-CB 3.45Å; I210-L213 PolarHBondContact O-N 3.48Å; I210-A214 PolarHBondContact O-N 3.26Å; I210-L245 HydrophobicContact CD1-CD2 4.35Å; I210-L245 HydrophobicContact CG1-CD2 3.58Å; I210-V250 HydrophobicContact CD1-CG1 4.26Å; I210-V250 HydrophobicContact CG2-CG1 4.02Å; I210-T251 HydrophobicContact CD1-CG2 4.42Å; I210-T251 HydrophobicContact CG1-CG2 3.86Å; I210-I379 HydrophobicContact CD1-CD1 3.91Å; I210-I379 HydrophobicContact CD1-CG1 3.9Å
211	E	98.9	Very high	98	Very high	35 Å²	35	21.7 Å²	21.7	16%	0.164	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-37.6	176.8	-176.5	60.7	-154.5	0	0	111.6	Y71 A72 P84 K86 W207 D208 L213 A214 W215	Y71-E211 HydrophobicContact CD2-CG 4.27Å; A72-E211 HydrophobicContact CB-CG 4.09Å; P84-E211 HydrophobicContact CB-CB 4.08Å; P84-E211 HydrophobicContact CB-CG 4.19Å; P84-E211 HydrophobicContact CG-CB 3.53Å; P84-E211 HydrophobicContact CG-CG 4.12Å; K86-E211 VanDerWaalsContact CA-OE1 3.24Å; K86-E211 WeakPolarHBondContact CA-OE1 3.47Å; K86-E211 WeakPolarHBondContact CB-OE1 3.43Å; W207-E211 PolarHBondContact O-N 2.84Å; D208-E211 PolarHBondContact O-N 2.99Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.27Å; E211-A214 PolarHBondContact O-N 3.44Å; E211-W215 WeakPolarHBondContact O-CB 3.24Å; E211-W215 PolarHBondContact O-N 2.91Å
212	A	98.9	Very high	98.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-43	171.4	0	0	0	0	0	111.6	Y71 L130 L183 D208 Q209 W215 L216	Y71-A212 HydrophobicContact CD1-CB 4.24Å; Y71-A212 HydrophobicContact CD2-CB 3.96Å; Y71-A212 HydrophobicContact CE1-CB 4.21Å; Y71-A212 HydrophobicContact CE2-CB 3.97Å; Y71-A212 HydrophobicContact CG-CB 4.11Å; L130-A212 HydrophobicContact CD2-CB 4.42Å; L183-A212 HydrophobicContact CD1-CB 3.79Å; D208-A212 PolarHBondContact O-N 3.25Å; Q209-A212 PolarHBondContact O-N 2.82Å; A212-W215 PolarHBondContact O-N 2.95Å; A212-L216 VanDerWaalsContact O-CG 3.27Å; A212-L216 WeakPolarHBondContact O-CG 3.45Å; A212-L216 PolarHBondContact O-N 2.8Å
213	L	98.9	Very high	98.3	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-41.1	174.6	-70.1	171.6	0	0	0	112.3	V148 Q209 I210 E211 W215 L216 Q217 V230 V232 L245 T251 L254 V255	V148-L213 HydrophobicContact CG1-CD2 4.43Å; V148-L213 HydrophobicContact CG2-CD2 4.18Å; Q209-L213 WeakPolarHBondContact O-CG 3.49Å; Q209-L213 PolarHBondContact O-N 3.37Å; I210-L213 WeakPolarHBondContact O-CB 3.45Å; I210-L213 PolarHBondContact O-N 3.48Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.27Å; L213-W215 VanDerWaalsContact C-N 3.35Å; L213-L216 HydrophobicContact CD2-CD1 4.48Å; L213-L216 PolarHBondContact O-N 2.83Å; L213-Q217 PolarHBondContact O-N 2.97Å; L213-V230 HydrophobicContact CD2-CG1 4.05Å; L213-V232 HydrophobicContact CD1-CG1 4.33Å; L213-V232 HydrophobicContact CD2-CG1 3.99Å; L213-L245 HydrophobicContact CD1-CD1 4.16Å; L213-L245 HydrophobicContact CD1-CD2 4.28Å; L213-T251 HydrophobicContact CD1-CG2 4.23Å; L213-L254 HydrophobicContact CB-CB 4.26Å; L213-L254 HydrophobicContact CB-CD1 4.17Å; L213-V255 HydrophobicContact CD1-CG2 3.72Å
214	A	98.8	Very high	98.3	Very high	38 Å²	38	24.2 Å²	24.2	31%	0.314	12%	0.122	S	C	.	.	H	α-helix	trans	-64.8	-39.2	175.3	0	0	0	0	0	112	I210 E211 L216 Q217 A218	I210-A214 PolarHBondContact O-N 3.26Å; E211-A214 PolarHBondContact O-N 3.44Å; A214-L216 VanDerWaalsContact C-N 3.35Å; A214-Q217 PolarHBondContact O-N 3.02Å; A214-A218 PolarHBondContact O-N 3.06Å
215	W	98.8	Very high	98.3	Very high	2 Å²	2	24 Å²	24	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-42.6	173.9	-173.3	97.2	0	0	0	111.2	V46 I51 I69 L130 I132 E211 A212 L213 A218 N219 F223	V46-W215 HydrophobicContact CB-CZ2 4.48Å; V46-W215 HydrophobicContact CG1-CH2 4.35Å; V46-W215 HydrophobicContact CG1-CZ2 4.3Å; V46-W215 HydrophobicContact CG2-CZ2 4.4Å; I51-W215 HydrophobicContact CD1-CZ2 4.22Å; I69-W215 HydrophobicContact CD1-CH2 4.42Å; I69-W215 HydrophobicContact CG2-CH2 3.94Å; I69-W215 HydrophobicContact CG2-CZ2 3.62Å; L130-W215 HydrophobicContact CD1-CE3 4.32Å; L130-W215 HydrophobicContact CD1-CH2 4.45Å; L130-W215 HydrophobicContact CD1-CZ3 4Å; L130-W215 HydrophobicContact CD2-CD2 4.22Å; L130-W215 HydrophobicContact CD2-CE3 3.73Å; L130-W215 HydrophobicContact CD2-CZ3 4.25Å; I132-W215 HydrophobicContact CD1-CH2 3.99Å; I132-W215 HydrophobicContact CD1-CZ3 3.75Å; E211-W215 WeakPolarHBondContact O-CB 3.24Å; E211-W215 PolarHBondContact O-N 2.91Å; A212-W215 PolarHBondContact O-N 2.95Å; L213-W215 VanDerWaalsContact C-N 3.35Å; W215-A218 PolarHBondContact O-N 2.83Å; W215-N219 HydrophobicContact CD2-CB 4.37Å; W215-N219 HydrophobicContact CE3-CB 4.21Å; W215-N219 HydrophobicContact CH2-CB 3.84Å; W215-N219 HydrophobicContact CZ2-CB 4.01Å; W215-N219 HydrophobicContact CZ3-CB 3.92Å; W215-N219 PolarHBondContact NE1-ND2 3.02Å; W215-N219 WeakPolarHBondContact O-CB 3.39Å; W215-N219 PolarHBondContact O-N 2.76Å; W215-N219 VanDerWaalsContact O-N 3.13Å; W215-N219 PolarHBondContact O-ND2 2.55Å; W215-F223 AromaticContact CH2-CE2 3.74Å; W215-F223 HydrophobicContact CH2-CE2 3.74Å; W215-F223 AromaticContact CH2-CZ 3.98Å; W215-F223 HydrophobicContact CH2-CZ 3.98Å; W215-F223 HydrophobicContact CZ3-CE2 4.3Å
216	L	98.9	Very high	98.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-45.4	175.5	-68.6	171.3	0	0	0	111.1	L130 V148 V181 A212 L213 A214 A218 N219 I220	L130-L216 HydrophobicContact CD2-CD2 4.38Å; V148-L216 HydrophobicContact CG1-CD1 4.35Å; V148-L216 HydrophobicContact CG2-CD1 3.51Å; V181-L216 HydrophobicContact CB-CD1 4.45Å; V181-L216 HydrophobicContact CG1-CD1 4.08Å; V181-L216 HydrophobicContact CG1-CD2 4.05Å; V181-L216 HydrophobicContact CG2-CD1 4.32Å; V181-L216 HydrophobicContact CG2-CD2 3.84Å; A212-L216 VanDerWaalsContact O-CG 3.27Å; A212-L216 WeakPolarHBondContact O-CG 3.45Å; A212-L216 PolarHBondContact O-N 2.8Å; L213-L216 HydrophobicContact CD2-CD1 4.48Å; L213-L216 PolarHBondContact O-N 2.83Å; A214-L216 VanDerWaalsContact C-N 3.35Å; L216-A218 PolarHBondContact O-N 2.79Å; L216-A218 VanDerWaalsContact O-N 3.15Å; L216-N219 PolarHBondContact O-N 3.14Å; L216-N219 VanDerWaalsContact O-N 3.08Å; L216-I220 HydrophobicContact CB-CB 4.27Å; L216-I220 HydrophobicContact CD2-CB 4.21Å; L216-I220 HydrophobicContact CD2-CD1 3.64Å; L216-I220 HydrophobicContact CD2-CG1 4.05Å; L216-I220 WeakPolarHBondContact O-CB 3.3Å; L216-I220 WeakPolarHBondContact O-CG2 3.18Å; L216-I220 PolarHBondContact O-N 2.77Å
217	Q	98.7	Very high	98.3	Very high	65 Å²	65	25.9 Å²	25.9	30%	0.304	13%	0.132	S	C	.	.	H	α-helix	trans	-54.9	-36.6	177.3	-169.3	64.6	21.8	0	0	112.4	L213 A214 P227 L254	L213-Q217 PolarHBondContact O-N 2.97Å; A214-Q217 PolarHBondContact O-N 3.02Å; Q217-P227 PolarHBondContact OE1-O 2.81Å; Q217-L254 HydrophobicContact CB-CD2 3.84Å; Q217-L254 HydrophobicContact CG-CD2 3.92Å
218	A	98.5	Very high	98.3	Very high	52 Å²	52	29.4 Å²	29.4	43%	0.43	15%	0.153	S	C	.	.	H	α-helix	trans	-79.5	-26.9	-179.6	0	0	0	0	0	114.1	A214 W215 L216	A214-A218 PolarHBondContact O-N 3.06Å; W215-A218 PolarHBondContact O-N 2.83Å; L216-A218 PolarHBondContact O-N 2.79Å; L216-A218 VanDerWaalsContact O-N 3.15Å
219	N	98.7	Very high	98.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-131.4	-18.8	-163.1	-60.3	-64.9	0	0	0	115.5	V46 E47 W215 L216 R221 E222 F223	V46-N219 HydrophobicContact CB-CB 4.12Å; V46-N219 WeakPolarHBondContact CB-OD1 3.15Å; V46-N219 HydrophobicContact CG1-CB 3.96Å; E47-N219 WeakPolarHBondContact CB-OD1 3.5Å; E47-N219 PolarHBondContact N-OD1 3.05Å; W215-N219 HydrophobicContact CD2-CB 4.37Å; W215-N219 HydrophobicContact CE3-CB 4.21Å; W215-N219 HydrophobicContact CH2-CB 3.84Å; W215-N219 HydrophobicContact CZ2-CB 4.01Å; W215-N219 HydrophobicContact CZ3-CB 3.92Å; W215-N219 PolarHBondContact NE1-ND2 3.02Å; W215-N219 WeakPolarHBondContact O-CB 3.39Å; W215-N219 PolarHBondContact O-N 2.76Å; W215-N219 VanDerWaalsContact O-N 3.13Å; W215-N219 PolarHBondContact O-ND2 2.55Å; L216-N219 PolarHBondContact O-N 3.14Å; L216-N219 VanDerWaalsContact O-N 3.08Å; N219-R221 PolarHBondContact O-N 3.41Å; N219-R221 VanDerWaalsContact O-N 3.12Å; N219-E222 WeakPolarHBondContact O-CB 3.48Å; N219-E222 PolarHBondContact O-N 2.94Å; N219-F223 WeakPolarHBondContact O-CD2 3.36Å
220	I	98.5	Very high	98.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.9	-24.3	-167.9	-160	51.5	0	0	0	113.2	I132 V146 T179 V181 L216 E222 F223 G225 P227	I132-I220 HydrophobicContact CD1-CD1 3.87Å; I132-I220 HydrophobicContact CG1-CD1 4.29Å; I132-I220 HydrophobicContact CG2-CD1 4Å; V146-I220 HydrophobicContact CG1-CG1 4.36Å; V146-I220 HydrophobicContact CG2-CG1 3.87Å; T179-I220 HydrophobicContact CG2-CD1 4.19Å; V181-I220 HydrophobicContact CG2-CD1 4.14Å; L216-I220 HydrophobicContact CB-CB 4.27Å; L216-I220 HydrophobicContact CD2-CB 4.21Å; L216-I220 HydrophobicContact CD2-CD1 3.64Å; L216-I220 HydrophobicContact CD2-CG1 4.05Å; L216-I220 WeakPolarHBondContact O-CB 3.3Å; L216-I220 WeakPolarHBondContact O-CG2 3.18Å; L216-I220 PolarHBondContact O-N 2.77Å; I220-E222 PolarHBondContact O-N 2.92Å; I220-F223 HydrophobicContact CD1-CB 4.32Å; I220-F223 HydrophobicContact CD1-CD2 4.39Å; I220-F223 PolarHBondContact O-N 2.81Å; I220-G225 CarbonylContact C-O 3.55Å; I220-G225 WeakPolarHBondContact O-CA 3.31Å; I220-G225 PolarHBondContact O-N 3.2Å; I220-P227 HydrophobicContact CG2-CB 3.88Å
221	R	97.2	Very high	98.2	Very high	150 Å²	150	31.1 Å²	31.1	57%	0.566	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-57.3	-36.6	173.8	-166.5	-178	-177.5	113	3.7	112.7	L143 N219 F223 N224 G225	L143-R221 HydrophobicContact CD1-CG 4.17Å; L143-R221 HydrophobicContact CD2-CG 3.79Å; N219-R221 PolarHBondContact O-N 3.41Å; N219-R221 VanDerWaalsContact O-N 3.12Å; R221-F223 PolarHBondContact O-N 3.18Å; R221-N224 PolarHBondContact O-N 2.85Å; R221-G225 WeakPolarHBondContact CA-O 3.25Å; R221-G225 PolarHBondContact N-O 3.39Å
222	E	96.3	Very high	98.3	Very high	96 Å²	96	29.4 Å²	29.4	45%	0.449	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-67.8	-15.2	179.3	-53.9	-59.5	143.3	0	0	112.5	V44 K45 N219 I220	V44-E222 HydrophobicContact CB-CB 4.42Å; V44-E222 VanDerWaalsContact CG1-O 3.27Å; V44-E222 WeakPolarHBondContact CG1-O 3.4Å; K45-E222 WeakPolarHBondContact O-CG 3.43Å; N219-E222 WeakPolarHBondContact O-CB 3.48Å; N219-E222 PolarHBondContact O-N 2.94Å; I220-E222 PolarHBondContact O-N 2.92Å
223	F	96.9	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-105.3	19.3	176.3	-55.8	-97.3	0	0	0	112	V44 V46 I51 Q64 Y66 I69 I132 S134 W215 N219 I220 R221 G225	V44-F223 HydrophobicContact CG2-CD1 4Å; V44-F223 HydrophobicContact CG2-CE1 3.43Å; V44-F223 VanDerWaalsContact CG2-CE1 3.43Å; V44-F223 HydrophobicContact CG2-CE2 4.21Å; V44-F223 HydrophobicContact CG2-CZ 3.55Å; V46-F223 HydrophobicContact CG1-CE2 3.53Å; V46-F223 HydrophobicContact CG1-CZ 3.74Å; I51-F223 HydrophobicContact CD1-CZ 4.07Å; Q64-F223 PolarHBondContact NE2-O 3.23Å; Y66-F223 HydrophobicContact CD1-CD1 4.48Å; Y66-F223 AromaticContact CD1-CE1 3.87Å; Y66-F223 HydrophobicContact CD1-CE1 3.87Å; Y66-F223 AromaticContact CD2-CD1 3.51Å; Y66-F223 HydrophobicContact CD2-CD1 3.51Å; Y66-F223 AromaticContact CD2-CE1 3.66Å; Y66-F223 HydrophobicContact CD2-CE1 3.66Å; Y66-F223 HydrophobicContact CE1-CD1 4.45Å; Y66-F223 HydrophobicContact CE1-CE1 4.05Å; Y66-F223 AromaticContact CE2-CD1 3.48Å; Y66-F223 HydrophobicContact CE2-CD1 3.48Å; Y66-F223 VanDerWaalsContact CE2-CD1 3.48Å; Y66-F223 AromaticContact CE2-CE1 3.86Å; Y66-F223 HydrophobicContact CE2-CE1 3.86Å; Y66-F223 HydrophobicContact CG-CD1 4.05Å; Y66-F223 AromaticContact CG-CE1 3.67Å; Y66-F223 HydrophobicContact CG-CE1 3.67Å; Y66-F223 AromaticContact CZ-CD1 3.98Å; I69-F223 HydrophobicContact CD1-CE1 4.09Å; I69-F223 HydrophobicContact CD1-CZ 4.05Å; I132-F223 HydrophobicContact CB-CD1 4.27Å; I132-F223 HydrophobicContact CD1-CD1 3.83Å; I132-F223 HydrophobicContact CD1-CD2 3.72Å; I132-F223 HydrophobicContact CD1-CE1 3.77Å; I132-F223 HydrophobicContact CD1-CE2 3.67Å; I132-F223 HydrophobicContact CD1-CG 3.8Å; I132-F223 HydrophobicContact CD1-CZ 3.69Å; I132-F223 HydrophobicContact CG2-CB 3.86Å; I132-F223 HydrophobicContact CG2-CD1 4.01Å; I132-F223 HydrophobicContact CG2-CG 4.01Å; S134-F223 WeakPolarHBondContact CB-O 3.33Å; S134-F223 PolarHBondContact OG-O 3.18Å; W215-F223 AromaticContact CH2-CE2 3.74Å; W215-F223 HydrophobicContact CH2-CE2 3.74Å; W215-F223 AromaticContact CH2-CZ 3.98Å; W215-F223 HydrophobicContact CH2-CZ 3.98Å; W215-F223 HydrophobicContact CZ3-CE2 4.3Å; N219-F223 WeakPolarHBondContact O-CD2 3.36Å; I220-F223 HydrophobicContact CD1-CB 4.32Å; I220-F223 HydrophobicContact CD1-CD2 4.39Å; I220-F223 PolarHBondContact O-N 2.81Å; R221-F223 PolarHBondContact O-N 3.18Å; F223-G225 PolarHBondContact O-N 2.87Å
224	N	96.5	Very high	98.2	Very high	13 Å²	13	29.1 Å²	29.1	7%	0.07	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	18.9	-172.7	-55.9	-16.2	0	0	0	114.2	Q64 P135 L143 Y144 R221	Q64-N224 PolarHBondContact NE2-ND2 3.26Å; P135-N224 PolarHBondContact O-ND2 3.22Å; L143-N224 CarbonylContact C-O 3.46Å; L143-N224 WeakPolarHBondContact CA-O 3.22Å; Y144-N224 HydrophobicContact CD2-CB 3.88Å; Y144-N224 VanDerWaalsContact CD2-O 3.24Å; Y144-N224 WeakPolarHBondContact CD2-O 3.49Å; Y144-N224 HydrophobicContact CE2-CB 3.96Å; Y144-N224 PolarHBondContact N-O 3.37Å; R221-N224 PolarHBondContact O-N 2.85Å
225	G	97.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.5	173.4	0	0	0	0	0	111.8	Y144 I220 R221 F223 P227	Y144-G225 CarbonylContact O-C 3.6Å; Y144-G225 WeakPolarHBondContact O-CA 3.2Å; I220-G225 CarbonylContact C-O 3.55Å; I220-G225 WeakPolarHBondContact O-CA 3.31Å; I220-G225 PolarHBondContact O-N 3.2Å; R221-G225 WeakPolarHBondContact CA-O 3.25Å; R221-G225 PolarHBondContact N-O 3.39Å; F223-G225 PolarHBondContact O-N 2.87Å; G225-P227 WeakPolarHBondContact O-CD 3.36Å
226	D	98.2	Very high	98.1	Very high	27 Å²	27	28.4 Å²	28.4	14%	0.144	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.1	178.9	-166.8	-22	0	0	0	110.9	L143 Y144 D228 M229	L143-D226 HydrophobicContact CB-CB 3.88Å; Y144-D226 PolarHBondContact O-N 3.27Å; D226-D228 PolarHBondContact O-N 2.85Å; D226-D228 WeakPolarHBondContact OD1-CB 3.33Å; D226-D228 PolarHBondContact OD1-N 3.08Å; D226-M229 HydrophobicContact CB-CB 4.16Å; D226-M229 HydrophobicContact CB-CE 3.87Å; D226-M229 HydrophobicContact CB-CG 4.49Å; D226-M229 PolarHBondContact O-N 3.27Å; D226-M229 VanDerWaalsContact O-N 3.13Å; D226-M229 WeakPolarHBondContact OD2-CE 3.29Å
227	P	98.2	Very high	98.1	Very high	13 Å²	13	28.4 Å²	28.4	8%	0.084	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-20.2	178.2	28	-35.2	0	0	0	113.2	Q217 I220 G225 M229 V230 H256	Q217-P227 PolarHBondContact OE1-O 2.81Å; I220-P227 HydrophobicContact CG2-CB 3.88Å; G225-P227 WeakPolarHBondContact O-CD 3.36Å; P227-M229 VanDerWaalsContact C-N 3.32Å; P227-V230 WeakPolarHBondContact O-CG2 3.47Å; P227-H256 PolarHBondContact O-CE1 3.08Å; P227-H256 VanDerWaalsContact O-CE1 3.3Å
228	D	98.3	Very high	98.1	Very high	102 Å²	102	25.3 Å²	25.3	55%	0.545	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	2	179.3	-59.7	-39.7	0	0	0	112.4	D226 H256	D226-D228 PolarHBondContact O-N 2.85Å; D226-D228 WeakPolarHBondContact OD1-CB 3.33Å; D226-D228 PolarHBondContact OD1-N 3.08Å; D228-H256 PolarHBondContact O-CD2 3.17Å; D228-H256 VanDerWaalsContact O-CD2 3.3Å; D228-H256 PolarHBondContact O-NE2 3.22Å
229	M	98.4	Very high	98.1	Very high	47 Å²	47	22.9 Å²	22.9	23%	0.232	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	51.5	178.2	-64.7	-162.3	-79.8	0	0	112.7	P145 V146 D226 P227	P145-M229 HydrophobicContact CB-CB 4.13Å; P145-M229 HydrophobicContact CG-CE 3.73Å; P145-M229 HydrophobicContact CG-SD 3.98Å; V146-M229 PolarHBondContact N-O 3.3Å; D226-M229 HydrophobicContact CB-CB 4.16Å; D226-M229 HydrophobicContact CB-CE 3.87Å; D226-M229 HydrophobicContact CB-CG 4.49Å; D226-M229 PolarHBondContact O-N 3.27Å; D226-M229 VanDerWaalsContact O-N 3.13Å; D226-M229 WeakPolarHBondContact OD2-CE 3.29Å; P227-M229 VanDerWaalsContact C-N 3.32Å
230	V	98.9	Very high	98.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.1	178.3	179.6	0	0	0	0	111.9	V146 V148 L213 P227 L254 H256 R257	V146-V230 HydrophobicContact CB-CG2 4.28Å; V148-V230 HydrophobicContact CG2-CG1 3.82Å; L213-V230 HydrophobicContact CD2-CG1 4.05Å; P227-V230 WeakPolarHBondContact O-CG2 3.47Å; V230-L254 WeakPolarHBondContact CB-O 3.1Å; V230-H256 PolarHBondContact N-ND1 3.35Å; V230-H256 WeakPolarHBondContact O-CA 3.47Å; V230-H256 WeakPolarHBondContact O-CB 3.37Å; V230-H256 PolarHBondContact O-N 2.83Å; V230-R257 PolarHBondContact O-N 3.15Å
231	T	98.9	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.9	173.8	-57.1	0	0	0	0	109.3	V146 I147 V148 R257 I259 A590	V146-T231 PolarHBondContact O-N 3.46Å; I147-T231 CarbonylContact C-O 3.6Å; I147-T231 WeakPolarHBondContact CA-O 3.01Å; V148-T231 PolarHBondContact N-O 2.69Å; T231-R257 WeakPolarHBondContact CA-O 3.28Å; T231-R257 HydrophobicContact CG2-CB 3.94Å; T231-I259 HydrophobicContact CG2-CD1 3.87Å; T231-I259 HydrophobicContact CG2-CG1 3.86Å; T231-A590 WeakPolarHBondContact OG1-CA 3.48Å
232	V	98.9	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.4	170.2	-66.8	0	0	0	0	109.5	L213 A242 L245 V255 R257 A258 I259	L213-V232 HydrophobicContact CD1-CG1 4.33Å; L213-V232 HydrophobicContact CD2-CG1 3.99Å; V232-A242 HydrophobicContact CB-CB 4.19Å; V232-A242 HydrophobicContact CG2-CB 3.95Å; V232-L245 HydrophobicContact CG1-CD1 4.47Å; V232-V255 HydrophobicContact CB-CG1 4.46Å; V232-V255 HydrophobicContact CG1-CG1 4.14Å; V232-V255 HydrophobicContact CG1-CG2 3.71Å; V232-V255 HydrophobicContact CG2-CG1 3.61Å; V232-V255 HydrophobicContact CG2-CG2 4.46Å; V232-R257 PolarHBondContact N-O 3.27Å; V232-A258 HydrophobicContact CG2-CB 3.78Å; V232-A258 CarbonylContact O-C 3.59Å; V232-A258 VanDerWaalsContact O-CA 3.24Å; V232-A258 WeakPolarHBondContact O-CA 3.3Å; V232-I259 PolarHBondContact O-N 3.13Å
233	M	98.8	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.6	-177.4	177.7	-179.7	163.5	0	0	108.8	I147 V148 W149 I150 I259 M261 I558 F559 I586	I147-M233 HydrophobicContact CG2-CB 3.8Å; I147-M233 HydrophobicContact CG2-CG 4.45Å; I147-M233 HydrophobicContact CG2-SD 3.78Å; V148-M233 PolarHBondContact O-N 3.28Å; V148-M233 VanDerWaalsContact O-O 3.09Å; W149-M233 CarbonylContact C-O 3.59Å; W149-M233 VanDerWaalsContact CA-O 3.29Å; W149-M233 WeakPolarHBondContact CA-O 3.26Å; W149-M233 HydrophobicContact CE3-CB 4.4Å; W149-M233 HydrophobicContact CE3-CE 4Å; W149-M233 HydrophobicContact CE3-CG 3.82Å; W149-M233 HydrophobicContact CE3-SD 4.31Å; W149-M233 HydrophobicContact CZ3-CE 3.82Å; W149-M233 HydrophobicContact CZ3-CG 4.01Å; I150-M233 PolarHBondContact N-O 3.31Å; M233-I259 WeakPolarHBondContact CA-O 3.23Å; M233-I259 HydrophobicContact CB-CB 3.95Å; M233-I259 HydrophobicContact CB-CD1 4.49Å; M233-I259 HydrophobicContact CG-CB 3.75Å; M233-I259 HydrophobicContact CG-CD1 4.37Å; M233-I259 HydrophobicContact CG-CG2 3.79Å; M233-I259 HydrophobicContact SD-CD1 4.13Å; M233-I259 HydrophobicContact SD-CG2 4.31Å; M233-M261 HydrophobicContact CE-SD 3.4Å; M233-M261 WeakPolarHBondContact CE-SD 3.3Å; M233-M261 HydrophobicContact CG-SD 4.45Å; M233-I558 HydrophobicContact CE-CD1 3.26Å; M233-F559 HydrophobicContact CE-CE2 4.4Å; M233-I586 HydrophobicContact CE-CD1 4.12Å; M233-I586 HydrophobicContact SD-CG2 4.07Å
234	G	98.7	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	164.4	176.1	0	0	0	0	0	112.7	I150 G239 I259 M261	I150-G234 VanDerWaalsContact O-CA 3.22Å; I150-G234 WeakPolarHBondContact O-CA 3.37Å; G234-G239 WeakPolarHBondContact O-CA 3.02Å; G234-I259 PolarHBondContact N-O 2.91Å; G234-I259 VanDerWaalsContact N-O 3.15Å; G234-M261 WeakPolarHBondContact O-CB 3.38Å; G234-M261 PolarHBondContact O-N 3.5Å
235	E	97.8	Very high	98.2	Very high	14 Å²	14	10.4 Å²	10.4	7%	0.065	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.5	176.9	-174	-86.4	176.8	0	0	111.8	W149 G152 A237 G238 G239 M261 H551 G552 H555	W149-E235 HydrophobicContact CH2-CB 3.61Å; W149-E235 HydrophobicContact CZ2-CB 4.45Å; W149-E235 HydrophobicContact CZ3-CB 4.34Å; G152-E235 WeakPolarHBondContact CA-O 3.42Å; E235-A237 PolarHBondContact O-N 3.37Å; E235-G238 VanDerWaalsContact O-CA 3.29Å; E235-G238 WeakPolarHBondContact O-CA 3.43Å; E235-G238 PolarHBondContact O-N 3.07Å; E235-G239 VanDerWaalsContact C-N 3.26Å; E235-G239 PolarHBondContact O-N 2.73Å; E235-G239 VanDerWaalsContact O-N 3.1Å; E235-M261 CarbonylContact C-O 3.5Å; E235-M261 WeakPolarHBondContact CA-O 3.24Å; E235-M261 HydrophobicContact CB-CB 4.01Å; E235-M261 HydrophobicContact CG-CB 4.11Å; E235-H551 IonicContact OE1-CD2 2.75Å; E235-H551 IonicContact OE1-CE1 3.56Å; E235-H551 PolarHBondContact OE1-CE1 3.43Å; E235-H551 VanDerWaalsContact OE1-CE1 3.24Å; E235-H551 IonicContact OE1-CG 3.21Å; E235-H551 IonicContact OE1-ND1 3.63Å; E235-H551 IonicContact OE1-NE2 2.96Å; E235-H551 PolarHBondContact OE1-NE2 3.14Å; E235-G552 WeakPolarHBondContact OE1-CA 3.48Å; E235-G552 PolarHBondContact OE1-N 2.91Å; E235-H555 HydrophobicContact CB-CB 4.41Å; E235-H555 IonicContact OE2-ND1 2.87Å
236	S	97.6	Very high	98.2	Very high	11 Å²	11	10.4 Å²	10.4	8%	0.077	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-125.6	177.9	-168.7	0	0	0	0	111.5	G238 G239 S240 M261 S262 H551	S236-G238 PolarHBondContact O-N 3.22Å; S236-G239 CarbonylContact O-C 3.56Å; S236-G239 WeakPolarHBondContact O-CA 3.45Å; S236-G239 PolarHBondContact O-N 3.43Å; S236-S240 PolarHBondContact O-N 3.1Å; S236-M261 PolarHBondContact N-O 3.21Å; S236-S262 WeakPolarHBondContact CA-O 3.31Å; S236-H551 WeakPolarHBondContact CB-NE2 3.36Å; S236-H551 PolarHBondContact OG-NE2 3.42Å
237	A	98	Very high	98	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-52	-36.8	169.8	0	0	0	0	0	114.1	L155 E235 S240 S241	L155-A237 HydrophobicContact CD2-CB 3.85Å; L155-A237 HydrophobicContact CG-CB 3.85Å; E235-A237 PolarHBondContact O-N 3.37Å; A237-S240 WeakPolarHBondContact CA-OG 3.46Å; A237-S240 PolarHBondContact O-N 3.47Å; A237-S240 PolarHBondContact O-OG 2.94Å; A237-S241 WeakPolarHBondContact O-CB 3.34Å; A237-S241 PolarHBondContact O-N 2.75Å; A237-S241 PolarHBondContact O-OG 2.9Å
238	G	98.5	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-70	-34.6	173.9	0	0	0	0	0	112.3	I150 H151 E235 S236 S241 A242	I150-G238 WeakPolarHBondContact O-CA 3.37Å; H151-G238 WeakPolarHBondContact O-CA 3.04Å; E235-G238 VanDerWaalsContact O-CA 3.29Å; E235-G238 WeakPolarHBondContact O-CA 3.43Å; E235-G238 PolarHBondContact O-N 3.07Å; S236-G238 PolarHBondContact O-N 3.22Å; G238-S241 WeakPolarHBondContact O-CB 3.33Å; G238-S241 PolarHBondContact O-N 3.45Å; G238-A242 WeakPolarHBondContact O-CB 3.46Å; G238-A242 PolarHBondContact O-N 2.83Å
239	G	98.5	Very high	97.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.8	-41.7	172	0	0	0	0	0	111.8	G234 E235 S236 S241 A242 S243	G234-G239 WeakPolarHBondContact O-CA 3.02Å; E235-G239 VanDerWaalsContact C-N 3.26Å; E235-G239 PolarHBondContact O-N 2.73Å; E235-G239 VanDerWaalsContact O-N 3.1Å; S236-G239 CarbonylContact O-C 3.56Å; S236-G239 WeakPolarHBondContact O-CA 3.45Å; S236-G239 PolarHBondContact O-N 3.43Å; G239-S241 VanDerWaalsContact C-N 3.28Å; G239-S241 PolarHBondContact O-N 2.79Å; G239-A242 PolarHBondContact O-N 3.35Å; G239-S243 WeakPolarHBondContact O-CB 3.21Å; G239-S243 PolarHBondContact O-N 3.08Å
240	S	98	Very high	97.4	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-64.4	-33.9	172.2	77.9	0	0	0	0	112.5	S236 A237 S243 L244	S236-S240 PolarHBondContact O-N 3.1Å; A237-S240 WeakPolarHBondContact CA-OG 3.46Å; A237-S240 PolarHBondContact O-N 3.47Å; A237-S240 PolarHBondContact O-OG 2.94Å; S240-S243 WeakPolarHBondContact O-CB 3.35Å; S240-S243 PolarHBondContact O-N 2.69Å; S240-L244 WeakPolarHBondContact O-CB 3.26Å; S240-L244 PolarHBondContact O-N 3.16Å
241	S	98.6	Very high	97.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.7	-46.1	173.4	-63.3	0	0	0	0	111.2	Q209 A237 G238 G239 S243 L244 L245	Q209-S241 PolarHBondContact NE2-OG 3.13Å; Q209-S241 VanDerWaalsContact OE1-CB 3.27Å; A237-S241 WeakPolarHBondContact O-CB 3.34Å; A237-S241 PolarHBondContact O-N 2.75Å; A237-S241 PolarHBondContact O-OG 2.9Å; G238-S241 WeakPolarHBondContact O-CB 3.33Å; G238-S241 PolarHBondContact O-N 3.45Å; G239-S241 VanDerWaalsContact C-N 3.28Å; G239-S241 PolarHBondContact O-N 2.79Å; S241-S243 VanDerWaalsContact C-N 3.31Å; S241-S243 PolarHBondContact O-N 3.4Å; S241-L244 WeakPolarHBondContact O-CB 3.21Å; S241-L244 PolarHBondContact O-N 3.16Å; S241-L245 WeakPolarHBondContact O-CB 3.42Å; S241-L245 WeakPolarHBondContact O-CG 3.39Å; S241-L245 PolarHBondContact O-N 3.4Å
242	A	98.6	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.3	-41.5	174.3	0	0	0	0	0	111.8	I150 V232 G238 G239 L245 A246 L260	I150-A242 HydrophobicContact CD1-CB 4.48Å; V232-A242 HydrophobicContact CB-CB 4.19Å; V232-A242 HydrophobicContact CG2-CB 3.95Å; G238-A242 WeakPolarHBondContact O-CB 3.46Å; G238-A242 PolarHBondContact O-N 2.83Å; G239-A242 PolarHBondContact O-N 3.35Å; A242-L245 PolarHBondContact O-N 2.82Å; A242-A246 WeakPolarHBondContact O-CB 3.37Å; A242-A246 PolarHBondContact O-N 2.89Å; A242-L260 HydrophobicContact CB-CD2 3.69Å
243	S	97.4	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-49.2	173.7	163.4	0	0	0	0	110.9	G239 S240 S241 L245 A246 L247 I265 E497	G239-S243 WeakPolarHBondContact O-CB 3.21Å; G239-S243 PolarHBondContact O-N 3.08Å; S240-S243 WeakPolarHBondContact O-CB 3.35Å; S240-S243 PolarHBondContact O-N 2.69Å; S241-S243 VanDerWaalsContact C-N 3.31Å; S241-S243 PolarHBondContact O-N 3.4Å; S243-L245 PolarHBondContact O-N 2.84Å; S243-A246 WeakPolarHBondContact O-CB 3.05Å; S243-A246 PolarHBondContact O-N 3.41Å; S243-L247 WeakPolarHBondContact O-CG 3.29Å; S243-L247 PolarHBondContact O-N 2.73Å; S243-I265 VanDerWaalsContact OG-CG2 3.31Å; S243-I265 WeakPolarHBondContact OG-CG2 3.49Å; S243-I265 PolarHBondContact OG-N 2.84Å; S243-I265 VanDerWaalsContact OG-N 3.1Å; S243-E497 WeakPolarHBondContact CB-OE1 3.38Å; S243-E497 PolarHBondContact OG-OE1 3.19Å; S243-E497 PolarHBondContact OG-OE2 3.08Å
244	L	96.7	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.1	-45.9	176.6	175.7	59.2	0	0	0	112.5	I206 S240 S241 A246 L247 S248 I265 V373 I379 I380 L387	I206-L244 HydrophobicContact CD1-CD2 4.19Å; I206-L244 HydrophobicContact CG1-CD2 4.07Å; I206-L244 HydrophobicContact CG2-CD2 3.87Å; S240-L244 WeakPolarHBondContact O-CB 3.26Å; S240-L244 PolarHBondContact O-N 3.16Å; S241-L244 WeakPolarHBondContact O-CB 3.21Å; S241-L244 PolarHBondContact O-N 3.16Å; L244-A246 VanDerWaalsContact C-N 3.27Å; L244-A246 PolarHBondContact O-N 3.17Å; L244-L247 PolarHBondContact O-N 3.01Å; L244-L247 VanDerWaalsContact O-N 3.14Å; L244-S248 VanDerWaalsContact O-CB 3.31Å; L244-S248 WeakPolarHBondContact O-CB 3.24Å; L244-S248 PolarHBondContact O-N 3.04Å; L244-I265 HydrophobicContact CB-CB 4.33Å; L244-I265 HydrophobicContact CB-CD1 4Å; L244-I265 HydrophobicContact CB-CG1 4.03Å; L244-I265 HydrophobicContact CD1-CD1 4.34Å; L244-I265 HydrophobicContact CD1-CG1 4.09Å; L244-I265 HydrophobicContact CD2-CD1 4.2Å; L244-I265 HydrophobicContact CG-CD1 4.42Å; L244-V373 HydrophobicContact CD2-CB 4.42Å; L244-V373 HydrophobicContact CD2-CG1 3.73Å; L244-V373 HydrophobicContact CD2-CG2 4.06Å; L244-I379 HydrophobicContact CD1-CG2 3.99Å; L244-I379 HydrophobicContact CD2-CG2 3.94Å; L244-I379 HydrophobicContact CG-CG2 4.04Å; L244-I380 HydrophobicContact CD1-CD1 3.74Å; L244-I380 HydrophobicContact CD1-CG1 3.49Å; L244-I380 VanDerWaalsContact CD1-CG1 3.49Å; L244-I380 HydrophobicContact CD2-CD1 4.4Å; L244-L387 HydrophobicContact CD1-CD2 4.38Å
245	L	97.9	Very high	97	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-67.7	-28.1	179.8	-65.2	168.8	0	0	0	111.9	I150 I206 Q209 I210 L213 V232 S241 A242 S243 L247 T251 V255	I150-L245 HydrophobicContact CD1-CD1 3.42Å; I150-L245 VanDerWaalsContact CD1-CD1 3.42Å; I206-L245 HydrophobicContact CG2-CD2 4.21Å; Q209-L245 HydrophobicContact CB-CD1 4.11Å; I210-L245 HydrophobicContact CD1-CD2 4.35Å; I210-L245 HydrophobicContact CG1-CD2 3.58Å; L213-L245 HydrophobicContact CD1-CD1 4.16Å; L213-L245 HydrophobicContact CD1-CD2 4.28Å; V232-L245 HydrophobicContact CG1-CD1 4.47Å; S241-L245 WeakPolarHBondContact O-CB 3.42Å; S241-L245 WeakPolarHBondContact O-CG 3.39Å; S241-L245 PolarHBondContact O-N 3.4Å; A242-L245 PolarHBondContact O-N 2.82Å; S243-L245 PolarHBondContact O-N 2.84Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-T251 HydrophobicContact CB-CG2 4.31Å; L245-T251 HydrophobicContact CD2-CG2 3.62Å; L245-T251 WeakPolarHBondContact O-CB 3.21Å; L245-T251 PolarHBondContact O-OG1 2.94Å; L245-V255 HydrophobicContact CB-CG2 4.38Å
246	A	96.3	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.7	-32.3	172.6	0	0	0	0	0	112.4	A242 S243 L244 A258 R393 V394	A242-A246 WeakPolarHBondContact O-CB 3.37Å; A242-A246 PolarHBondContact O-N 2.89Å; S243-A246 WeakPolarHBondContact O-CB 3.05Å; S243-A246 PolarHBondContact O-N 3.41Å; L244-A246 VanDerWaalsContact C-N 3.27Å; L244-A246 PolarHBondContact O-N 3.17Å; A246-A258 HydrophobicContact CB-CB 3.7Å; A246-R393 PolarHBondContact O-NH1 2.84Å; A246-R393 VanDerWaalsContact O-NH1 3.13Å; A246-R393 PolarHBondContact O-NH2 2.91Å; A246-V394 HydrophobicContact CB-CG2 3.87Å
247	L	94.6	Very high	97	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-94.1	-33.2	-176.3	-66.1	169	0	0	0	113.3	S243 L244 L245 I265 L387 L391 R393 Y501	S243-L247 WeakPolarHBondContact O-CG 3.29Å; S243-L247 PolarHBondContact O-N 2.73Å; L244-L247 PolarHBondContact O-N 3.01Å; L244-L247 VanDerWaalsContact O-N 3.14Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L247-I265 HydrophobicContact CD1-CG2 3.77Å; L247-L387 HydrophobicContact CB-CD1 3.61Å; L247-L387 HydrophobicContact CB-CG 4.2Å; L247-L391 VanDerWaalsContact O-CB 3.24Å; L247-L391 WeakPolarHBondContact O-CB 3.25Å; L247-R393 VanDerWaalsContact C-NH1 3.34Å; L247-R393 PolarHBondContact O-NH1 2.91Å; L247-Y501 HydrophobicContact CD2-CE2 3.95Å
248	S	94.7	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.			trans	-58.5	138.4	-171.9	-175	0	0	0	0	112.4	L244 V250 T251 I379 R393	L244-S248 VanDerWaalsContact O-CB 3.31Å; L244-S248 WeakPolarHBondContact O-CB 3.24Å; L244-S248 PolarHBondContact O-N 3.04Å; S248-V250 VanDerWaalsContact C-N 3.26Å; S248-V250 PolarHBondContact O-N 3.38Å; S248-V250 PolarHBondContact OG-N 3Å; S248-T251 PolarHBondContact O-OG1 2.9Å; S248-I379 WeakPolarHBondContact CB-O 3.39Å; S248-I379 WeakPolarHBondContact OG-CA 3.4Å; S248-I379 PolarHBondContact OG-O 2.8Å; S248-R393 VanDerWaalsContact O-CZ 3.3Å; S248-R393 PolarHBondContact O-NH1 2.93Å; S248-R393 PolarHBondContact O-NH2 3.22Å
249	P	93.5	Very high	97.1	Very high	57 Å²	57	21.1 Å²	21.1	37%	0.37	12%	0.116	S	C	.	.	S	Bend	trans	-68.9	-25.3	176.6	27.7	-33.4	0	0	0	112.6	T251 K252 I379 L391	P249-T251 VanDerWaalsContact C-N 3.3Å; P249-T251 PolarHBondContact O-N 3.3Å; P249-K252 VanDerWaalsContact O-CB 3.26Å; P249-K252 WeakPolarHBondContact O-CB 3.39Å; P249-K252 PolarHBondContact O-N 3.41Å; P249-I379 WeakPolarHBondContact CD-O 3.27Å; P249-L391 HydrophobicContact CB-CD1 4.41Å; P249-L391 HydrophobicContact CG-CD1 4.32Å
250	V	95.2	Very high	97.1	Very high	56 Å²	56	21.1 Å²	21.1	34%	0.339	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.2	-178.2	-179.3	0	0	0	0	112.1	W207 I210 S248 K252 E378	W207-V250 HydrophobicContact CH2-CG1 3.87Å; W207-V250 HydrophobicContact CH2-CG2 4.11Å; W207-V250 HydrophobicContact CZ3-CG1 3.7Å; I210-V250 HydrophobicContact CD1-CG1 4.26Å; I210-V250 HydrophobicContact CG2-CG1 4.02Å; S248-V250 VanDerWaalsContact C-N 3.26Å; S248-V250 PolarHBondContact O-N 3.38Å; S248-V250 PolarHBondContact OG-N 3Å; V250-K252 VanDerWaalsContact C-N 3.32Å; V250-E378 WeakPolarHBondContact CG2-O 3.28Å
251	T	97.2	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	10.9	179.2	53.7	0	0	0	0	112.9	I210 L213 L245 S248 P249 G253 L254 V255 R393	I210-T251 HydrophobicContact CD1-CG2 4.42Å; I210-T251 HydrophobicContact CG1-CG2 3.86Å; L213-T251 HydrophobicContact CD1-CG2 4.23Å; L245-T251 HydrophobicContact CB-CG2 4.31Å; L245-T251 HydrophobicContact CD2-CG2 3.62Å; L245-T251 WeakPolarHBondContact O-CB 3.21Å; L245-T251 PolarHBondContact O-OG1 2.94Å; S248-T251 PolarHBondContact O-OG1 2.9Å; P249-T251 VanDerWaalsContact C-N 3.3Å; P249-T251 PolarHBondContact O-N 3.3Å; T251-G253 PolarHBondContact O-N 2.96Å; T251-L254 PolarHBondContact O-N 3.47Å; T251-V255 PolarHBondContact O-N 3.48Å; T251-R393 PolarHBondContact O-NH2 2.9Å; T251-R393 PolarHBondContact OG1-NH2 2.85Å
252	K	94.7	Very high	97.1	Very high	161 Å²	161	21.1 Å²	21.1	70%	0.7	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	122.1	176.7	-174.7	178.8	-179.3	178	0	109.7	P249 V250 L254	P249-K252 VanDerWaalsContact O-CB 3.26Å; P249-K252 WeakPolarHBondContact O-CB 3.39Å; P249-K252 PolarHBondContact O-N 3.41Å; V250-K252 VanDerWaalsContact C-N 3.32Å; K252-L254 VanDerWaalsContact C-N 3.34Å
253	G	95.8	Very high	97	Very high	44 Å²	44	21.5 Å²	21.5	45%	0.454	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-2.3	-175.6	0	0	0	0	0	114.8	T251	T251-G253 PolarHBondContact O-N 2.96Å
254	L	98.4	Very high	97	Very high	27 Å²	27	21.6 Å²	21.6	14%	0.141	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-27.8	173.2	-57.4	-178.2	0	0	0	112.5	L213 Q217 V230 T251 K252	L213-L254 HydrophobicContact CB-CB 4.26Å; L213-L254 HydrophobicContact CB-CD1 4.17Å; Q217-L254 HydrophobicContact CB-CD2 3.84Å; Q217-L254 HydrophobicContact CG-CD2 3.92Å; V230-L254 WeakPolarHBondContact CB-O 3.1Å; T251-L254 PolarHBondContact O-N 3.47Å; K252-L254 VanDerWaalsContact C-N 3.34Å
255	V	98.4	Very high	96.9	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	12%	0.121	C	C	.	.			trans	-117.8	128.7	-179.3	179.2	0	0	0	0	109.5	L213 V232 L245 T251 R257 V394	L213-V255 HydrophobicContact CD1-CG2 3.72Å; V232-V255 HydrophobicContact CB-CG1 4.46Å; V232-V255 HydrophobicContact CG1-CG1 4.14Å; V232-V255 HydrophobicContact CG1-CG2 3.71Å; V232-V255 HydrophobicContact CG2-CG1 3.61Å; V232-V255 HydrophobicContact CG2-CG2 4.46Å; L245-V255 HydrophobicContact CB-CG2 4.38Å; T251-V255 PolarHBondContact O-N 3.48Å; V255-R257 WeakPolarHBondContact CG1-O 3.17Å; V255-V394 WeakPolarHBondContact O-CG1 3.44Å
256	H	98.1	Very high	96.6	Very high	52 Å²	52	21.6 Å²	21.6	24%	0.241	12%	0.121	C	C	.	.	S	Bend	trans	-113.8	-23.2	-174.8	-59.9	87.5	0	0	0	113.2	P227 D228 V230 V394	P227-H256 PolarHBondContact O-CE1 3.08Å; P227-H256 VanDerWaalsContact O-CE1 3.3Å; D228-H256 PolarHBondContact O-CD2 3.17Å; D228-H256 VanDerWaalsContact O-CD2 3.3Å; D228-H256 PolarHBondContact O-NE2 3.22Å; V230-H256 PolarHBondContact N-ND1 3.35Å; V230-H256 WeakPolarHBondContact O-CA 3.47Å; V230-H256 WeakPolarHBondContact O-CB 3.37Å; V230-H256 PolarHBondContact O-N 2.83Å; H256-V394 WeakPolarHBondContact O-CB 3.37Å; H256-V394 WeakPolarHBondContact O-CG1 3.19Å
257	R	98.2	Very high	96.5	Very high	40 Å²	40	21.6 Å²	21.6	15%	0.151	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	161.1	175.9	-51.4	-174.2	176.1	84.7	5.8	109.7	V230 T231 V232 V255 P395 F589 A590 G593	V230-R257 PolarHBondContact O-N 3.15Å; T231-R257 WeakPolarHBondContact CA-O 3.28Å; T231-R257 HydrophobicContact CG2-CB 3.94Å; V232-R257 PolarHBondContact N-O 3.27Å; V255-R257 WeakPolarHBondContact CG1-O 3.17Å; R257-P395 HydrophobicContact CB-CG 4.41Å; R257-P395 HydrophobicContact CG-CG 3.87Å; R257-F589 HydrophobicContact CB-CE1 3.81Å; R257-F589 HydrophobicContact CB-CZ 4.13Å; R257-F589 WeakPolarHBondContact CD-O 3.39Å; R257-F589 PolarHBondContact NE-O 3.5Å; R257-A590 PolarHBondContact NH1-O 2.92Å; R257-G593 VanDerWaalsContact NE-CA 3.27Å; R257-G593 VanDerWaalsContact NE-N 3.14Å
258	A	98.6	Very high	96.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.1	172.6	0	0	0	0	0	113.7	V232 A246 L260 P395 I396 L397 F589	V232-A258 HydrophobicContact CG2-CB 3.78Å; V232-A258 CarbonylContact O-C 3.59Å; V232-A258 VanDerWaalsContact O-CA 3.24Å; V232-A258 WeakPolarHBondContact O-CA 3.3Å; A246-A258 HydrophobicContact CB-CB 3.7Å; A258-L260 HydrophobicContact CB-CD2 3.9Å; A258-L260 HydrophobicContact CB-CG 4.35Å; A258-P395 PolarHBondContact N-O 3.4Å; A258-I396 HydrophobicContact CB-CG2 4.04Å; A258-I396 CarbonylContact O-C 3.55Å; A258-I396 VanDerWaalsContact O-CA 3.31Å; A258-I396 WeakPolarHBondContact O-CA 3.47Å; A258-L397 PolarHBondContact O-N 2.83Å; A258-F589 WeakPolarHBondContact O-CE1 3.48Å
259	I	98.8	Very high	96.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.7	174.2	-60.7	173.1	0	0	0	107.8	T231 V232 M233 G234 M261 L397 I586 F589	T231-I259 HydrophobicContact CG2-CD1 3.87Å; T231-I259 HydrophobicContact CG2-CG1 3.86Å; V232-I259 PolarHBondContact O-N 3.13Å; M233-I259 WeakPolarHBondContact CA-O 3.23Å; M233-I259 HydrophobicContact CB-CB 3.95Å; M233-I259 HydrophobicContact CB-CD1 4.49Å; M233-I259 HydrophobicContact CG-CB 3.75Å; M233-I259 HydrophobicContact CG-CD1 4.37Å; M233-I259 HydrophobicContact CG-CG2 3.79Å; M233-I259 HydrophobicContact SD-CD1 4.13Å; M233-I259 HydrophobicContact SD-CG2 4.31Å; G234-I259 PolarHBondContact N-O 2.91Å; G234-I259 VanDerWaalsContact N-O 3.15Å; I259-M261 HydrophobicContact CG2-CG 4.08Å; I259-M261 HydrophobicContact CG2-SD 4.44Å; I259-L397 CarbonylContact C-O 3.54Å; I259-L397 VanDerWaalsContact CA-O 3.3Å; I259-L397 WeakPolarHBondContact CA-O 3.38Å; I259-L397 HydrophobicContact CG1-CB 4.19Å; I259-L397 HydrophobicContact CG2-CD2 4.31Å; I259-I586 HydrophobicContact CD1-CB 4.34Å; I259-I586 HydrophobicContact CD1-CG1 4.34Å; I259-I586 HydrophobicContact CD1-CG2 3.73Å; I259-F589 HydrophobicContact CD1-CD1 3.98Å; I259-F589 HydrophobicContact CG1-CD1 3.69Å; I259-F589 HydrophobicContact CG1-CE1 3.87Å
260	L	98.7	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	96.3	-165.6	-51.8	-178.4	0	0	0	109.2	A242 A258 I396 L397 I398 G399	A242-L260 HydrophobicContact CB-CD2 3.69Å; A258-L260 HydrophobicContact CB-CD2 3.9Å; A258-L260 HydrophobicContact CB-CG 4.35Å; L260-I396 HydrophobicContact CD1-CB 4.46Å; L260-I396 HydrophobicContact CD1-CD1 4.28Å; L260-I396 HydrophobicContact CD1-CG2 4.41Å; L260-L397 PolarHBondContact N-O 3.11Å; L260-I398 HydrophobicContact CB-CB 4.07Å; L260-I398 HydrophobicContact CB-CD1 4.26Å; L260-I398 HydrophobicContact CB-CG1 3.84Å; L260-I398 HydrophobicContact CD1-CB 4.38Å; L260-I398 HydrophobicContact CD1-CD1 3.92Å; L260-I398 HydrophobicContact CD1-CG1 4.29Å; L260-I398 WeakPolarHBondContact O-CA 3.46Å; L260-G399 PolarHBondContact O-N 3.46Å; L260-G399 VanDerWaalsContact O-N 3.13Å
261	M	98.6	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111	-174.8	-54.4	175.2	64	0	0	109.4	W149 M233 G234 E235 S236 I259 G263 Y511 D554 H555 I558 W582	W149-M261 HydrophobicContact CZ3-SD 4.18Å; M233-M261 HydrophobicContact CE-SD 3.4Å; M233-M261 WeakPolarHBondContact CE-SD 3.3Å; M233-M261 HydrophobicContact CG-SD 4.45Å; G234-M261 WeakPolarHBondContact O-CB 3.38Å; G234-M261 PolarHBondContact O-N 3.5Å; E235-M261 CarbonylContact C-O 3.5Å; E235-M261 WeakPolarHBondContact CA-O 3.24Å; E235-M261 HydrophobicContact CB-CB 4.01Å; E235-M261 HydrophobicContact CG-CB 4.11Å; S236-M261 PolarHBondContact N-O 3.21Å; I259-M261 HydrophobicContact CG2-CG 4.08Å; I259-M261 HydrophobicContact CG2-SD 4.44Å; M261-G263 PolarHBondContact O-N 2.03Å; M261-Y511 WeakPolarHBondContact CA-OH 3.24Å; M261-Y511 WeakPolarHBondContact CG-OH 3.41Å; M261-D554 HydrophobicContact CE-CB 3.63Å; M261-D554 WeakPolarHBondContact CE-OD1 3.22Å; M261-D554 WeakPolarHBondContact CE-OD2 3.42Å; M261-H555 HydrophobicContact CE-CB 3.74Å; M261-H555 HydrophobicContact SD-CB 4.43Å; M261-I558 HydrophobicContact CE-CD1 3.84Å; M261-I558 HydrophobicContact SD-CD1 4.07Å; M261-W582 HydrophobicContact CE-CZ2 4.07Å
262	S	98.4	Very high	95.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	50.1	38.9	178.4	-59.3	0	0	0	0	113.3	S236 G399 E404 F490	S236-S262 WeakPolarHBondContact CA-O 3.31Å; S262-G399 PolarHBondContact N-O 3.09Å; S262-E404 WeakPolarHBondContact CB-OE1 3.36Å; S262-E404 VanDerWaalsContact OG-CD 3.26Å; S262-E404 PolarHBondContact OG-OE1 3.04Å; S262-E404 PolarHBondContact OG-OE2 3.36Å; S262-F490 WeakPolarHBondContact O-CD1 3.47Å; S262-F490 VanDerWaalsContact O-CE1 3.27Å; S262-F490 WeakPolarHBondContact O-CE1 3.29Å
263	G	97.8	Very high	95.2	Very high	8 Å²	8	13.5 Å²	13.5	8%	0.082	7%	0.074	C	C	.	.			trans	-159.8	129.5	-174.7	0	0	0	0	0	112.9	M261	M261-G263 PolarHBondContact O-N 2.03Å
264	S	96.1	Very high	94.4	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.021	7%	0.065	C	C	.	.			trans	-140.9	139	-179.9	170.2	0	0	0	0	109.3	T266 A267 A270 E497	S264-T266 PolarHBondContact O-N 3.35Å; S264-T266 VanDerWaalsContact O-N 3.17Å; S264-T266 PolarHBondContact OG-N 2.88Å; S264-T266 VanDerWaalsContact OG-N 3.08Å; S264-T266 PolarHBondContact OG-OG1 3.48Å; S264-A267 WeakPolarHBondContact O-CB 3.29Å; S264-A267 PolarHBondContact O-N 3.05Å; S264-A267 VanDerWaalsContact O-N 3.17Å; S264-A270 WeakPolarHBondContact O-CB 3.49Å; S264-E497 WeakPolarHBondContact CA-OE2 3.48Å; S264-E497 WeakPolarHBondContact CB-OE2 3.32Å; S264-E497 PolarHBondContact OG-OE2 2.84Å
265	I	94.5	Very high	93.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.6	173	-166.4	53.3	0	0	0	112.4	S243 L244 L247 A267 A270 L271 V373	S243-I265 VanDerWaalsContact OG-CG2 3.31Å; S243-I265 WeakPolarHBondContact OG-CG2 3.49Å; S243-I265 PolarHBondContact OG-N 2.84Å; S243-I265 VanDerWaalsContact OG-N 3.1Å; L244-I265 HydrophobicContact CB-CB 4.33Å; L244-I265 HydrophobicContact CB-CD1 4Å; L244-I265 HydrophobicContact CB-CG1 4.03Å; L244-I265 HydrophobicContact CD1-CD1 4.34Å; L244-I265 HydrophobicContact CD1-CG1 4.09Å; L244-I265 HydrophobicContact CD2-CD1 4.2Å; L244-I265 HydrophobicContact CG-CD1 4.42Å; L247-I265 HydrophobicContact CD1-CG2 3.77Å; I265-A267 VanDerWaalsContact C-N 3.27Å; I265-A267 PolarHBondContact O-N 3.4Å; I265-A270 HydrophobicContact CD1-CB 4.43Å; I265-L271 HydrophobicContact CD1-CB 4.3Å; I265-L271 WeakPolarHBondContact O-CB 3.21Å; I265-V373 HydrophobicContact CD1-CB 4.4Å; I265-V373 HydrophobicContact CD1-CG2 4.4Å
266	T	92.3	Very high	92.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.2	178.4	72.6	0	0	0	0	113	S264 R273 L388 Y441 P493 E497 L500	S264-T266 PolarHBondContact O-N 3.35Å; S264-T266 VanDerWaalsContact O-N 3.17Å; S264-T266 PolarHBondContact OG-N 2.88Å; S264-T266 VanDerWaalsContact OG-N 3.08Å; S264-T266 PolarHBondContact OG-OG1 3.48Å; T266-R273 PolarHBondContact O-NH2 3.24Å; T266-L388 HydrophobicContact CG2-CD2 3.71Å; T266-Y441 WeakPolarHBondContact O-CD2 3.27Å; T266-Y441 WeakPolarHBondContact O-CE2 3.48Å; T266-P493 VanDerWaalsContact OG1-C 3.28Å; T266-P493 VanDerWaalsContact OG1-CA 3.26Å; T266-P493 WeakPolarHBondContact OG1-CA 3.48Å; T266-P493 VanDerWaalsContact OG1-CB 3.31Å; T266-P493 WeakPolarHBondContact OG1-CB 3.33Å; T266-P493 PolarHBondContact OG1-O 2.52Å; T266-E497 HydrophobicContact CG2-CB 4.04Å; T266-L500 HydrophobicContact CG2-CD1 4.44Å
267	A	94.3	Very high	92.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-65.7	146.6	-177.1	0	0	0	0	0	112.3	S264 I265 W269 A270 L271 P493	S264-A267 WeakPolarHBondContact O-CB 3.29Å; S264-A267 PolarHBondContact O-N 3.05Å; S264-A267 VanDerWaalsContact O-N 3.17Å; I265-A267 VanDerWaalsContact C-N 3.27Å; I265-A267 PolarHBondContact O-N 3.4Å; A267-W269 VanDerWaalsContact C-N 3.26Å; A267-W269 HydrophobicContact CB-CD2 4.08Å; A267-W269 HydrophobicContact CB-CG 4.4Å; A267-W269 HydrophobicContact CB-CZ2 3.86Å; A267-W269 PolarHBondContact O-N 2.81Å; A267-A270 HydrophobicContact CB-CB 4.18Å; A267-A270 PolarHBondContact O-N 2.8Å; A267-A270 VanDerWaalsContact O-N 3.08Å; A267-L271 PolarHBondContact O-N 2.89Å; A267-P493 HydrophobicContact CB-CB 3.77Å; A267-P493 HydrophobicContact CB-CG 3.86Å
268	G	91.1	Very high	91.7	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.9	-178.2	0	0	0	0	0	113.9	Q372 P440	G268-Q372 PolarHBondContact O-NE2 3.29Å; G268-P440 VanDerWaalsContact CA-C 3.48Å; G268-P440 WeakPolarHBondContact O-CB 3.39Å
269	W	92.7	Very high	91.4	Very high	33 Å²	33	17.5 Å²	17.5	13%	0.125	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10	176.4	54	-104.1	0	0	0	113.7	A267 L370 Q372 E489 F490	A267-W269 VanDerWaalsContact C-N 3.26Å; A267-W269 HydrophobicContact CB-CD2 4.08Å; A267-W269 HydrophobicContact CB-CG 4.4Å; A267-W269 HydrophobicContact CB-CZ2 3.86Å; A267-W269 PolarHBondContact O-N 2.81Å; W269-L370 HydrophobicContact CB-CD1 3.71Å; W269-Q372 WeakPolarHBondContact O-CG 3.25Å; W269-E489 PolarHBondContact NE1-O 3.05Å; W269-F490 AromaticContact CE2-CE1 3.99Å; W269-F490 AromaticContact CZ2-CD1 3.9Å; W269-F490 HydrophobicContact CZ2-CD1 3.9Å; W269-F490 AromaticContact CZ2-CE1 3.59Å; W269-F490 HydrophobicContact CZ2-CE1 3.59Å; W269-F490 HydrophobicContact CZ2-CZ 4.45Å
270	A	94.5	Very high	91.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-40.3	-177.1	0	0	0	0	0	112.9	S264 I265 A267 V373	S264-A270 WeakPolarHBondContact O-CB 3.49Å; I265-A270 HydrophobicContact CD1-CB 4.43Å; A267-A270 HydrophobicContact CB-CB 4.18Å; A267-A270 PolarHBondContact O-N 2.8Å; A267-A270 VanDerWaalsContact O-N 3.08Å; A270-V373 PolarHBondContact O-N 2.97Å
271	L	92.1	Very high	90.8	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.3	-173.3	178.1	66.8	0	0	0	111.6	I265 A267 R273 I375 I380 V384	I265-L271 HydrophobicContact CD1-CB 4.3Å; I265-L271 WeakPolarHBondContact O-CB 3.21Å; A267-L271 PolarHBondContact O-N 2.89Å; L271-R273 HydrophobicContact CD2-CG 4.18Å; L271-R273 HydrophobicContact CG-CG 4.26Å; L271-R273 PolarHBondContact O-N 2.98Å; L271-I375 HydrophobicContact CD1-CG1 4.14Å; L271-I380 HydrophobicContact CD1-CD1 3.52Å; L271-V384 HydrophobicContact CD2-CG1 4.23Å
272	Q	89.1	Confident	90.5	Very high	30 Å²	30	22.2 Å²	22.2	14%	0.14	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	108	167.8	-172.7	80.6	44.2	0	0	110.3	F274 P277 Q372 V373 I374	Q272-F274 PolarHBondContact NE2-O 2.59Å; Q272-P277 HydrophobicContact CG-CB 4.49Å; Q272-P277 HydrophobicContact CG-CG 4.12Å; Q272-Q372 HydrophobicContact CB-CB 4.35Å; Q272-V373 PolarHBondContact N-O 3.01Å; Q272-I374 HydrophobicContact CB-CG2 4.16Å
273	R	83.4	Confident	90.1	Very high	38 Å²	38	22.4 Å²	22.4	14%	0.143	13%	0.131	C	C	.	.			trans	-90.9	-39.2	178.9	-65.7	172.7	-178.9	-79.1	-11.1	113.9	T266 L271 D443	T266-R273 PolarHBondContact O-NH2 3.24Å; L271-R273 HydrophobicContact CD2-CG 4.18Å; L271-R273 HydrophobicContact CG-CG 4.26Å; L271-R273 PolarHBondContact O-N 2.98Å; R273-D443 WeakPolarHBondContact CD-OD1 3.36Å; R273-D443 IonicContact CZ-OD1 3.17Å; R273-D443 IonicContact NE-OD1 2.82Å; R273-D443 IonicContact NH1-OD1 3.71Å; R273-D443 PolarHBondContact NH1-OD1 2.83Å
274	F	78.2	Confident	89.9	Confident	61 Å²	61	22 Å²	22	27%	0.268	13%	0.127	S	C	.	.	S	Bend	trans	-150.1	160	-175	65	-88.1	0	0	0	111.3	Q272 M439 F442 T445	Q272-F274 PolarHBondContact NE2-O 2.59Å; F274-M439 VanDerWaalsContact CE1-O 3.26Å; F274-M439 WeakPolarHBondContact CE1-O 3.48Å; F274-M439 HydrophobicContact CZ-CE 4.33Å; F274-M439 WeakPolarHBondContact CZ-O 3.24Å; F274-F442 WeakPolarHBondContact CE1-O 3.35Å; F274-T445 HydrophobicContact CD2-CG2 4.06Å; F274-T445 HydrophobicContact CE2-CG2 3.9Å
275	G	78.6	Confident	89.8	Confident	56 Å²	56	23.3 Å²	23.3	58%	0.577	13%	0.132	S	C	*	.	S	Bend	trans	82.1	-173.5	179.2	0	0	0	0	0	113.5
276	V	82.5	Confident	89.7	Confident	64 Å²	64	25.9 Å²	25.9	39%	0.388	14%	0.143	S	C	.	.			trans	-88.2	128	179.5	-177.9	0	0	0	0	108.6	S280 F366	V276-S280 WeakPolarHBondContact CG1-OG 3.38Å; V276-F366 HydrophobicContact CB-CD2 4.09Å; V276-F366 HydrophobicContact CB-CE2 3.89Å; V276-F366 HydrophobicContact CB-CZ 4.15Å; V276-F366 HydrophobicContact CG2-CD2 4.48Å; V276-F366 HydrophobicContact CG2-CE2 3.92Å; V276-F366 HydrophobicContact CG2-CZ 4.29Å
277	P	87.8	Confident	89.6	Confident	28 Å²	28	26 Å²	26	18%	0.182	14%	0.143	C	C	.	.			trans	-58.6	145.1	176.3	-21.1	30.5	0	0	0	112.3	S194 Q272 W279 S280 I374	S194-P277 VanDerWaalsContact OG-CB 3.28Å; S194-P277 WeakPolarHBondContact OG-CB 3.37Å; S194-P277 VanDerWaalsContact OG-CG 3.29Å; S194-P277 WeakPolarHBondContact OG-CG 3.41Å; Q272-P277 HydrophobicContact CG-CB 4.49Å; Q272-P277 HydrophobicContact CG-CG 4.12Å; P277-W279 PolarHBondContact O-N 2.91Å; P277-S280 PolarHBondContact O-N 2.83Å; P277-S280 PolarHBondContact O-OG 3.01Å; P277-I374 HydrophobicContact CB-CG2 4.4Å; P277-I374 HydrophobicContact CG-CG2 3.93Å
278	N	87.3	Confident	89.5	Confident	37 Å²	37	26 Å²	26	20%	0.198	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.3	176.9	-67.4	93.4	0	0	0	112	N283 Q367 Q372	N278-N283 PolarHBondContact O-ND2 2.84Å; N278-Q367 PolarHBondContact ND2-O 3Å; N278-Q372 PolarHBondContact OD1-OE1 2.85Å
279	W	91.9	Very high	89.5	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.015	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	59.9	178.2	-58	98.4	0	0	0	111.1	L156 P189 F192 L193 S194 P277 L284 F348 V352 L368 G369 L370	L156-W279 HydrophobicContact CD2-CH2 4.37Å; L156-W279 HydrophobicContact CD2-CZ2 3.47Å; L156-W279 VanDerWaalsContact CD2-CZ2 3.47Å; P189-W279 HydrophobicContact CB-CE3 3.74Å; P189-W279 HydrophobicContact CB-CZ3 4.01Å; P189-W279 VanDerWaalsContact CD-CZ3 3.48Å; P189-W279 HydrophobicContact CG-CE3 4.04Å; P189-W279 HydrophobicContact CG-CZ3 3.8Å; F192-W279 WeakPolarHBondContact O-CB 3.27Å; L193-W279 CarbonylContact C-O 3.51Å; L193-W279 WeakPolarHBondContact CA-O 3.49Å; S194-W279 PolarHBondContact N-O 2.88Å; S194-W279 PolarHBondContact OG-O 3.46Å; P277-W279 PolarHBondContact O-N 2.91Å; W279-L284 HydrophobicContact CZ3-CD1 4.47Å; W279-F348 HydrophobicContact CH2-CD2 4.05Å; W279-F348 HydrophobicContact CZ3-CD2 4.01Å; W279-F348 HydrophobicContact CZ3-CE2 4.28Å; W279-V352 HydrophobicContact CZ2-CG2 3.99Å; W279-L368 HydrophobicContact CD2-CD2 4.42Å; W279-L368 HydrophobicContact CE3-CD2 3.87Å; W279-L368 HydrophobicContact CH2-CB 4.25Å; W279-L368 HydrophobicContact CH2-CD1 3.86Å; W279-L368 HydrophobicContact CH2-CD2 3.98Å; W279-L368 HydrophobicContact CH2-CG 4.25Å; W279-L368 HydrophobicContact CZ2-CB 4.31Å; W279-L368 HydrophobicContact CZ2-CD2 4.48Å; W279-L368 HydrophobicContact CZ3-CD1 4.03Å; W279-L368 HydrophobicContact CZ3-CD2 3.62Å; W279-L368 HydrophobicContact CZ3-CG 4.33Å; W279-G369 PolarHBondContact NE1-O 2.81Å; W279-L370 PolarHBondContact NE1-O 3.24Å
280	S	92.9	Very high	89.3	Confident	12 Å²	12	26.4 Å²	26.4	8%	0.084	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-92.6	155.4	170.6	56.4	0	0	0	0	112	S194 V276 P277 D282 N283 L284	S194-S280 WeakPolarHBondContact OG-CA 3.28Å; V276-S280 WeakPolarHBondContact CG1-OG 3.38Å; P277-S280 PolarHBondContact O-N 2.83Å; P277-S280 PolarHBondContact O-OG 3.01Å; S280-D282 VanDerWaalsContact C-N 3.34Å; S280-D282 PolarHBondContact O-N 2.94Å; S280-N283 PolarHBondContact O-N 2.88Å; S280-N283 VanDerWaalsContact OG-CB 3.24Å; S280-N283 WeakPolarHBondContact OG-CB 3.42Å; S280-N283 PolarHBondContact OG-N 3.16Å; S280-L284 WeakPolarHBondContact O-CB 2.96Å; S280-L284 PolarHBondContact O-N 2.86Å
281	V	93.5	Very high	88.9	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-52.5	-49.9	178.3	174.9	0	0	0	0	111.9	L193 S194 T195 Y285 E326 V329 Y330 I333	L193-V281 HydrophobicContact CD1-CG2 4.12Å; L193-V281 HydrophobicContact CD2-CG2 4.23Å; L193-V281 HydrophobicContact CG-CG2 4.21Å; S194-V281 PolarHBondContact O-N 3.08Å; T195-V281 HydrophobicContact CG2-CG2 3.47Å; T195-V281 VanDerWaalsContact CG2-CG2 3.47Å; V281-Y285 WeakPolarHBondContact O-CB 3.43Å; V281-Y285 PolarHBondContact O-N 3.26Å; V281-E326 HydrophobicContact CB-CG 4.22Å; V281-E326 HydrophobicContact CG1-CG 4.1Å; V281-V329 HydrophobicContact CG1-CB 3.92Å; V281-V329 HydrophobicContact CG1-CG1 3.48Å; V281-V329 VanDerWaalsContact CG1-CG1 3.48Å; V281-Y330 HydrophobicContact CG2-CD2 4.35Å; V281-I333 HydrophobicContact CG1-CD1 4.33Å
282	D	91.2	Very high	88.6	Confident	85 Å²	85	33.8 Å²	33.8	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-44.5	178.7	173.3	74.9	0	0	0	112	S280 Y285 K286	S280-D282 VanDerWaalsContact C-N 3.34Å; S280-D282 PolarHBondContact O-N 2.94Å; D282-Y285 PolarHBondContact O-N 3.11Å; D282-K286 VanDerWaalsContact CG-NZ 3.33Å; D282-K286 WeakPolarHBondContact O-CG 3.31Å; D282-K286 PolarHBondContact O-N 2.91Å; D282-K286 VanDerWaalsContact O-N 3.08Å; D282-K286 WeakPolarHBondContact OD1-CE 3.48Å; D282-K286 IonicContact OD1-NZ 3.72Å; D282-K286 PolarHBondContact OD1-NZ 2.87Å; D282-K286 WeakPolarHBondContact OD2-CE 3.37Å; D282-K286 IonicContact OD2-NZ 2.67Å; D282-K286 PolarHBondContact OD2-NZ 2.92Å
283	N	91.3	Very high	88.2	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-65.9	-47.5	-179.1	-164.5	34.5	0	0	0	111.4	N278 S280 Y285 K286 Y287 K292 F366	N278-N283 PolarHBondContact O-ND2 2.84Å; S280-N283 PolarHBondContact O-N 2.88Å; S280-N283 VanDerWaalsContact OG-CB 3.24Å; S280-N283 WeakPolarHBondContact OG-CB 3.42Å; S280-N283 PolarHBondContact OG-N 3.16Å; N283-Y285 VanDerWaalsContact C-N 3.34Å; N283-Y285 PolarHBondContact O-N 2.85Å; N283-K286 WeakPolarHBondContact O-CB 3.45Å; N283-K286 PolarHBondContact O-N 3.49Å; N283-Y287 VanDerWaalsContact O-CD2 3.3Å; N283-Y287 WeakPolarHBondContact O-CD2 3.31Å; N283-Y287 PolarHBondContact O-N 3.38Å; N283-K292 PolarHBondContact OD1-NZ 2.82Å; N283-F366 PolarHBondContact ND2-O 2.84Å; N283-F366 PolarHBondContact OD1-O 3.46Å
284	L	93.3	Very high	87.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-42.4	177.8	-178.6	59.8	0	0	0	111.2	P189 L193 W279 S280 K286 Y287 L288 I333 F339 F348	P189-L284 HydrophobicContact CB-CD1 4.41Å; P189-L284 HydrophobicContact CB-CD2 3.74Å; L193-L284 HydrophobicContact CD1-CB 4.39Å; L193-L284 HydrophobicContact CD1-CD2 3.83Å; W279-L284 HydrophobicContact CZ3-CD1 4.47Å; S280-L284 WeakPolarHBondContact O-CB 2.96Å; S280-L284 PolarHBondContact O-N 2.86Å; L284-K286 VanDerWaalsContact C-N 3.29Å; L284-K286 PolarHBondContact O-N 3.21Å; L284-Y287 PolarHBondContact O-N 2.98Å; L284-Y287 VanDerWaalsContact O-N 3.17Å; L284-L288 HydrophobicContact CD1-CD1 4.1Å; L284-L288 HydrophobicContact CD1-CG 4.08Å; L284-L288 HydrophobicContact CD2-CD1 4.33Å; L284-L288 HydrophobicContact CG-CD1 3.77Å; L284-L288 HydrophobicContact CG-CG 4.19Å; L284-L288 WeakPolarHBondContact O-CB 3.22Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.39Å; L284-L288 PolarHBondContact O-N 2.84Å; L284-I333 HydrophobicContact CD2-CD1 4.46Å; L284-I333 HydrophobicContact CD2-CG2 4.21Å; L284-I333 HydrophobicContact CG-CD1 4.43Å; L284-F339 HydrophobicContact CD1-CE1 4.41Å; L284-F339 HydrophobicContact CD2-CE1 4.24Å; L284-F339 HydrophobicContact CD2-CZ 4.03Å; L284-F348 HydrophobicContact CD1-CE2 3.84Å; L284-F348 HydrophobicContact CD1-CZ 4.22Å
285	Y	93.3	Very high	87.5	Confident	29 Å²	29	39.1 Å²	39.1	11%	0.114	22%	0.216	C	C	.	.	H	α-helix	trans	-55.3	-44.2	175.2	179.3	-106.9	0	0	0	112.1	V281 D282 N283 Y287 L288 T289 L318 T323 V329	V281-Y285 WeakPolarHBondContact O-CB 3.43Å; V281-Y285 PolarHBondContact O-N 3.26Å; D282-Y285 PolarHBondContact O-N 3.11Å; N283-Y285 VanDerWaalsContact C-N 3.34Å; N283-Y285 PolarHBondContact O-N 2.85Å; Y285-Y287 VanDerWaalsContact C-N 3.33Å; Y285-Y287 PolarHBondContact O-N 2.88Å; Y285-L288 PolarHBondContact O-N 2.83Å; Y285-L288 VanDerWaalsContact O-N 3.15Å; Y285-T289 HydrophobicContact CD1-CG2 4.26Å; Y285-T289 HydrophobicContact CD2-CG2 3.79Å; Y285-T289 HydrophobicContact CE1-CG2 3.84Å; Y285-T289 HydrophobicContact CE2-CG2 3.35Å; Y285-T289 HydrophobicContact CG-CG2 4.25Å; Y285-T289 WeakPolarHBondContact O-CB 3.26Å; Y285-T289 WeakPolarHBondContact O-CG2 3.39Å; Y285-T289 PolarHBondContact O-N 2.8Å; Y285-T289 PolarHBondContact O-OG1 2.82Å; Y285-L318 HydrophobicContact CD2-CD2 4.29Å; Y285-T323 HydrophobicContact CE2-CG2 3.94Å; Y285-T323 PolarHBondContact OH-OG1 2.83Å; Y285-V329 HydrophobicContact CD1-CG1 4.3Å; Y285-V329 HydrophobicContact CD2-CG1 3.45Å; Y285-V329 VanDerWaalsContact CD2-CG1 3.45Å; Y285-V329 HydrophobicContact CE2-CG1 4.18Å; Y285-V329 HydrophobicContact CG-CG1 3.49Å; Y285-V329 VanDerWaalsContact CG-CG1 3.49Å
286	K	91.6	Very high	86.5	Confident	56 Å²	56	37.7 Å²	37.7	24%	0.243	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-38.2	178.2	-75.3	167.9	178.3	163.2	0	113.1	D282 N283 L284 T289 C290 E291 K292	D282-K286 VanDerWaalsContact CG-NZ 3.33Å; D282-K286 WeakPolarHBondContact O-CG 3.31Å; D282-K286 PolarHBondContact O-N 2.91Å; D282-K286 VanDerWaalsContact O-N 3.08Å; D282-K286 WeakPolarHBondContact OD1-CE 3.48Å; D282-K286 IonicContact OD1-NZ 3.72Å; D282-K286 PolarHBondContact OD1-NZ 2.87Å; D282-K286 WeakPolarHBondContact OD2-CE 3.37Å; D282-K286 IonicContact OD2-NZ 2.67Å; D282-K286 PolarHBondContact OD2-NZ 2.92Å; N283-K286 WeakPolarHBondContact O-CB 3.45Å; N283-K286 PolarHBondContact O-N 3.49Å; L284-K286 VanDerWaalsContact C-N 3.29Å; L284-K286 PolarHBondContact O-N 3.21Å; K286-T289 PolarHBondContact O-OG1 3.06Å; K286-C290 CarbonylContact O-C 3.55Å; K286-C290 WeakPolarHBondContact O-CA 3.49Å; K286-C290 PolarHBondContact O-N 2.85Å; K286-C290 VanDerWaalsContact O-N 3.08Å; K286-E291 HydrophobicContact CB-CB 4.15Å; K286-E291 HydrophobicContact CG-CB 4.13Å; K286-E291 WeakPolarHBondContact CG-OE2 3.33Å; K286-E291 PolarHBondContact O-N 3.31Å; K286-K292 HydrophobicContact CB-CB 4.16Å; K286-K292 HydrophobicContact CB-CD 3.93Å; K286-K292 HydrophobicContact CB-CG 3.89Å; K286-K292 HydrophobicContact CD-CD 4.46Å; K286-K292 PolarHBondContact O-N 3.2Å
287	Y	91	Very high	85.1	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-38.1	173.2	-75.8	-84.1	0	0	0	111.9	N283 L284 Y285 C290 K292 I294 N312 E351 L368	N283-Y287 VanDerWaalsContact O-CD2 3.3Å; N283-Y287 WeakPolarHBondContact O-CD2 3.31Å; N283-Y287 PolarHBondContact O-N 3.38Å; L284-Y287 PolarHBondContact O-N 2.98Å; L284-Y287 VanDerWaalsContact O-N 3.17Å; Y285-Y287 VanDerWaalsContact C-N 3.33Å; Y285-Y287 PolarHBondContact O-N 2.88Å; Y287-C290 PolarHBondContact O-N 3.05Å; Y287-C290 PolarHBondContact O-SG 3.31Å; Y287-K292 HydrophobicContact CD1-CB 4.03Å; Y287-K292 HydrophobicContact CD2-CB 4.28Å; Y287-K292 HydrophobicContact CD2-CD 4.13Å; Y287-K292 HydrophobicContact CE1-CB 4.04Å; Y287-K292 HydrophobicContact CE2-CB 4.26Å; Y287-K292 HydrophobicContact CE2-CD 3.64Å; Y287-K292 HydrophobicContact CG-CB 4.16Å; Y287-I294 HydrophobicContact CD1-CD1 4.14Å; Y287-I294 HydrophobicContact CD1-CG1 3.72Å; Y287-I294 HydrophobicContact CE1-CD1 4.36Å; Y287-I294 HydrophobicContact CE1-CG1 3.6Å; Y287-N312 PolarHBondContact O-ND2 2.96Å; Y287-E351 HydrophobicContact CE1-CG 4.13Å; Y287-E351 PolarHBondContact OH-OE1 2.77Å; Y287-L368 HydrophobicContact CD2-CD1 4.43Å; Y287-L368 HydrophobicContact CD2-CD2 3.96Å; Y287-L368 HydrophobicContact CD2-CG 4.03Å; Y287-L368 HydrophobicContact CE2-CD2 3.95Å; Y287-L368 HydrophobicContact CE2-CG 3.76Å; Y287-L368 HydrophobicContact CG-CD1 4.49Å
288	L	92.8	Very high	83.2	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-71.5	-29.5	-179.2	-69	177.6	0	0	0	113.2	L284 Y285 M314 L318 I333 A337 F339 F348	L284-L288 HydrophobicContact CD1-CD1 4.1Å; L284-L288 HydrophobicContact CD1-CG 4.08Å; L284-L288 HydrophobicContact CD2-CD1 4.33Å; L284-L288 HydrophobicContact CG-CD1 3.77Å; L284-L288 HydrophobicContact CG-CG 4.19Å; L284-L288 WeakPolarHBondContact O-CB 3.22Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.39Å; L284-L288 PolarHBondContact O-N 2.84Å; Y285-L288 PolarHBondContact O-N 2.83Å; Y285-L288 VanDerWaalsContact O-N 3.15Å; L288-M314 HydrophobicContact CD2-SD 3.82Å; L288-M314 WeakPolarHBondContact O-CE 3.4Å; L288-L318 HydrophobicContact CB-CB 3.91Å; L288-L318 HydrophobicContact CB-CD2 3.86Å; L288-L318 HydrophobicContact CD1-CD2 4.07Å; L288-L318 WeakPolarHBondContact O-CB 3.38Å; L288-L318 PolarHBondContact O-N 2.86Å; L288-I333 HydrophobicContact CD1-CB 4.47Å; L288-I333 HydrophobicContact CD1-CD1 4.25Å; L288-I333 HydrophobicContact CD1-CG1 4Å; L288-I333 HydrophobicContact CD1-CG2 3.75Å; L288-A337 HydrophobicContact CD1-CB 3.92Å; L288-F339 HydrophobicContact CD1-CZ 4.45Å; L288-F348 HydrophobicContact CD2-CZ 4.3Å
289	T	91.6	Very high	81.5	Confident	25 Å²	25	50.1 Å²	50.1	15%	0.153	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.8	174.4	54.6	0	0	0	0	113.6	Y285 K286 E291 L318	Y285-T289 HydrophobicContact CD1-CG2 4.26Å; Y285-T289 HydrophobicContact CD2-CG2 3.79Å; Y285-T289 HydrophobicContact CE1-CG2 3.84Å; Y285-T289 HydrophobicContact CE2-CG2 3.35Å; Y285-T289 HydrophobicContact CG-CG2 4.25Å; Y285-T289 WeakPolarHBondContact O-CB 3.26Å; Y285-T289 WeakPolarHBondContact O-CG2 3.39Å; Y285-T289 PolarHBondContact O-N 2.8Å; Y285-T289 PolarHBondContact O-OG1 2.82Å; K286-T289 PolarHBondContact O-OG1 3.06Å; T289-E291 PolarHBondContact O-N 2.91Å; T289-L318 HydrophobicContact CG2-CB 4.39Å
290	C	87.2	Confident	79.7	Confident	18 Å²	18	56 Å²	56	12%	0.122	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	24.7	-176.7	-62.1	0	0	0	0	115.7	K286 Y287 C311	K286-C290 CarbonylContact O-C 3.55Å; K286-C290 WeakPolarHBondContact O-CA 3.49Å; K286-C290 PolarHBondContact O-N 2.85Å; K286-C290 VanDerWaalsContact O-N 3.08Å; Y287-C290 PolarHBondContact O-N 3.05Å; Y287-C290 PolarHBondContact O-SG 3.31Å; C290-C311 HydrophobicContact CB-CB 3.82Å; C290-C311 WeakPolarHBondContact CB-SG 3.12Å; C290-C311 WeakPolarHBondContact SG-CA 3.34Å; C290-C311 WeakPolarHBondContact SG-CB 3.11Å; C290-C311 CovalentContact SG-SG 2Å; C290-C311 PolarHBondContact SG-SG 2.91Å
291	E	87.1	Confident	77.6	Confident	125 Å²	125	59.2 Å²	59.2	58%	0.584	30%	0.304	S	S	*	.	S	Bend	trans	-57.8	-37.8	156.3	-67.8	179.4	-157.3	0	0	110.3	K286 T289	K286-E291 HydrophobicContact CB-CB 4.15Å; K286-E291 HydrophobicContact CG-CB 4.13Å; K286-E291 WeakPolarHBondContact CG-OE2 3.33Å; K286-E291 PolarHBondContact O-N 3.31Å; T289-E291 PolarHBondContact O-N 2.91Å
292	K	85.2	Confident	75.4	Confident	32 Å²	32	65.3 Å²	65.3	14%	0.139	33%	0.333	C	S	.	.	S	Bend	trans	-104.2	129.3	166.6	-77.6	-178.7	177.6	-176.7	0	110.4	N283 K286 Y287 N312 F366	N283-K292 PolarHBondContact OD1-NZ 2.82Å; K286-K292 HydrophobicContact CB-CB 4.16Å; K286-K292 HydrophobicContact CB-CD 3.93Å; K286-K292 HydrophobicContact CB-CG 3.89Å; K286-K292 HydrophobicContact CD-CD 4.46Å; K286-K292 PolarHBondContact O-N 3.2Å; Y287-K292 HydrophobicContact CD1-CB 4.03Å; Y287-K292 HydrophobicContact CD2-CB 4.28Å; Y287-K292 HydrophobicContact CD2-CD 4.13Å; Y287-K292 HydrophobicContact CE1-CB 4.04Å; Y287-K292 HydrophobicContact CE2-CB 4.26Å; Y287-K292 HydrophobicContact CE2-CD 3.64Å; Y287-K292 HydrophobicContact CG-CB 4.16Å; K292-N312 PolarHBondContact O-ND2 3.39Å; K292-F366 PolarHBondContact NZ-O 3.48Å
293	K	80.6	Confident	73.7	Confident	130 Å²	130	63.8 Å²	63.8	57%	0.565	33%	0.326	S	S	*	.			trans	-107.9	133.9	174.2	-64.7	-174.2	178.9	-172.7	0	109.9	T295 N312	K293-T295 PolarHBondContact O-N 3.4Å; K293-N312 WeakPolarHBondContact CA-OD1 3.15Å
294	I	77.7	Confident	72	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.092	36%	0.357	C	S	.	.			trans	-71.7	116.2	171.5	-64.7	169	0	0	0	107.1	Y287 N312 A347 F348 Y350 E351	Y287-I294 HydrophobicContact CD1-CD1 4.14Å; Y287-I294 HydrophobicContact CD1-CG1 3.72Å; Y287-I294 HydrophobicContact CE1-CD1 4.36Å; Y287-I294 HydrophobicContact CE1-CG1 3.6Å; I294-N312 HydrophobicContact CD1-CB 4.28Å; I294-N312 PolarHBondContact N-OD1 3.46Å; I294-A347 HydrophobicContact CD1-CB 3.73Å; I294-F348 HydrophobicContact CD1-CD1 3.62Å; I294-F348 HydrophobicContact CD1-CE1 4.01Å; I294-Y350 HydrophobicContact CG2-CD1 4.25Å; I294-E351 HydrophobicContact CD1-CB 4.17Å; I294-E351 HydrophobicContact CG1-CB 4.13Å; I294-E351 HydrophobicContact CG1-CG 4.35Å; I294-E351 HydrophobicContact CG2-CB 4.26Å; I294-E351 WeakPolarHBondContact CG2-OE2 3.35Å
295	T	68.5	Low	70.2	Confident	93 Å²	93	73.9 Å²	73.9	57%	0.571	39%	0.386	S	S	*	.			trans	-112.4	126.2	179.3	60.4	0	0	0	0	110.5	K293	K293-T295 PolarHBondContact O-N 3.4Å
296	S	58.4	Low	68.3	Low	27 Å²	27	77.8 Å²	77.8	19%	0.189	41%	0.413	C	S	.	.			trans	-138.3	152.6	-173	62.5	0	0	0	0	113.5	E298 S299 Y350	S296-E298 PolarHBondContact O-N 3.48Å; S296-S299 PolarHBondContact O-N 2.91Å; S296-Y350 WeakPolarHBondContact CA-OH 3.27Å; S296-Y350 VanDerWaalsContact CB-OH 3.27Å; S296-Y350 WeakPolarHBondContact CB-OH 3.12Å
297	E	52.2	Low	66.2	Low	137 Å²	137	83.2 Å²	83.2	64%	0.64	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-42.3	113.3	-173.3	-94.7	-175	162.5	0	0	114.6	S299 Y350 K416	E297-S299 PolarHBondContact O-N 3.29Å; E297-S299 VanDerWaalsContact O-N 3.1Å; E297-Y350 PolarHBondContact N-OH 3Å; E297-K416 IonicContact OE1-NZ 3.67Å; E297-K416 PolarHBondContact OE1-NZ 3.08Å; E297-K416 IonicContact OE2-NZ 2.98Å; E297-K416 PolarHBondContact OE2-NZ 2.87Å
298	E	49.2	Very low	64.5	Low	182 Å²	182	90.1 Å²	90.1	85%	0.85	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	40.2	39.3	-172.4	-69.8	-172.3	172.5	0	0	115.6	S296 W300	S296-E298 PolarHBondContact O-N 3.48Å; E298-W300 PolarHBondContact O-N 2.83Å
299	S	50.7	Low	63	Low	70 Å²	70	94.7 Å²	94.7	49%	0.49	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	45.8	57.2	173	53.6	0	0	0	0	113.3	S296 E297 A301 Q302 V303	S296-S299 PolarHBondContact O-N 2.91Å; E297-S299 PolarHBondContact O-N 3.29Å; E297-S299 VanDerWaalsContact O-N 3.1Å; S299-A301 CarbonylContact O-C 3.52Å; S299-A301 WeakPolarHBondContact O-CA 3.24Å; S299-A301 PolarHBondContact O-N 2.84Å; S299-Q302 CarbonylContact O-C 3.57Å; S299-Q302 PolarHBondContact O-N 3.04Å; S299-V303 PolarHBondContact O-N 2.64Å
300	W	55.5	Low	61.7	Low	128 Å²	128	95.8 Å²	95.8	49%	0.485	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	6.6	80.9	173.6	-81.4	87.9	0	0	0	115.5	E298 Q302 V303 Y350	E298-W300 PolarHBondContact O-N 2.83Å; W300-Q302 CarbonylContact C-O 3.43Å; W300-Q302 CarbonylContact O-C 3.45Å; W300-V303 WeakPolarHBondContact O-CA 3.41Å; W300-V303 WeakPolarHBondContact O-CG2 3.37Å; W300-V303 PolarHBondContact O-N 3.01Å; W300-Y350 HydrophobicContact CZ2-CD2 4.41Å; W300-Y350 HydrophobicContact CZ2-CE2 4.4Å; W300-Y350 AromaticContact NE1-CD2 3.41Å; W300-Y350 AromaticContact NE1-CE2 3.18Å
301	A	48.3	Very low	61.4	Low	79 Å²	79	95.7 Å²	95.7	65%	0.653	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	cis	-134.9	74.5	-23.9	0	0	0	0	0	106.6	S299	S299-A301 CarbonylContact O-C 3.52Å; S299-A301 WeakPolarHBondContact O-CA 3.24Å; S299-A301 PolarHBondContact O-N 2.84Å
302	Q	46	Very low	61.3	Low	131 Å²	131	90.1 Å²	90.1	61%	0.612	48%	0.484	S	S	*	.	S	Bend		61.3	110.7	-119.5	-72.7	-174.9	-20.4	0	0	107.7	S299 W300 E304	S299-Q302 CarbonylContact O-C 3.57Å; S299-Q302 PolarHBondContact O-N 3.04Å; W300-Q302 CarbonylContact C-O 3.43Å; W300-Q302 CarbonylContact O-C 3.45Å; Q302-E304 WeakPolarHBondContact O-CA 3.38Å; Q302-E304 WeakPolarHBondContact O-CB 3.5Å; Q302-E304 WeakPolarHBondContact O-CG 3.32Å; Q302-E304 PolarHBondContact O-N 2.88Å
303	V	56.5	Low	61.1	Low	52 Å²	52	90.9 Å²	90.9	32%	0.315	49%	0.488	S	S	.	.	S	Bend	trans	-67	106.6	156.4	167.3	0	0	0	0	106.3	S299 W300 F313	S299-V303 PolarHBondContact O-N 2.64Å; W300-V303 WeakPolarHBondContact O-CA 3.41Å; W300-V303 WeakPolarHBondContact O-CG2 3.37Å; W300-V303 PolarHBondContact O-N 3.01Å; V303-F313 HydrophobicContact CB-CE1 4.16Å; V303-F313 HydrophobicContact CG1-CD1 4.16Å; V303-F313 HydrophobicContact CG1-CE1 3.64Å; V303-F313 HydrophobicContact CG2-CE1 3.4Å; V303-F313 HydrophobicContact CG2-CZ 3.68Å
304	E	54.5	Low	61.2	Low	142 Å²	142	85.5 Å²	85.5	66%	0.664	47%	0.465	S	S	*	.	S	Bend	cis	-141.7	74	-40.9	-114.8	-173.4	146.7	0	0	101.7	Q302	Q302-E304 WeakPolarHBondContact O-CA 3.38Å; Q302-E304 WeakPolarHBondContact O-CB 3.5Å; Q302-E304 WeakPolarHBondContact O-CG 3.32Å; Q302-E304 PolarHBondContact O-N 2.88Å
305	A	55.4	Low	61.4	Low	75 Å²	75	91.7 Å²	91.7	62%	0.62	49%	0.493	S	S	*	.	S	Bend	trans	68.4	63.2	-156.7	0	0	0	0	0	114.7
306	T	53.9	Low	62	Low	110 Å²	110	94.6 Å²	94.6	68%	0.675	50%	0.5	S	S	*	.	S	Bend	trans	39.1	92.3	163.4	59.7	0	0	0	0	116.9
307	Q	47.7	Very low	63.5	Low	171 Å²	171	94.5 Å²	94.5	80%	0.799	50%	0.501	S	S	*	.				-147	98.3	128.3	-109.5	168.8	24.5	0	0	106.8	Y309	Q307-Y309 WeakPolarHBondContact O-CD2 3.18Å; Q307-Y309 WeakPolarHBondContact O-CE2 3.33Å
308	D	56.2	Low	65.4	Low	146 Å²	146	88.8 Å²	88.8	78%	0.781	48%	0.475	S	S	*	.			trans	-38.2	128.3	-167	-173.1	15.2	0	0	0	116.6	G310	D308-G310 WeakPolarHBondContact OD1-CA 3.04Å; D308-G310 PolarHBondContact OD1-N 2.9Å
309	Y	60.5	Low	67.4	Low	98 Å²	98	86.5 Å²	86.5	38%	0.384	46%	0.464	S	S	.	.			trans	-122.1	42.4	170.5	-60.4	-86.3	0	0	0	111.1	Q307 C311 F313 L343	Q307-Y309 WeakPolarHBondContact O-CD2 3.18Å; Q307-Y309 WeakPolarHBondContact O-CE2 3.33Å; Y309-C311 CarbonylContact O-C 3.58Å; Y309-C311 PolarHBondContact O-N 2.61Å; Y309-F313 PolarHBondContact O-N 3.07Å; Y309-L343 HydrophobicContact CE1-CD1 4.28Å; Y309-L343 HydrophobicContact CE2-CD1 4.3Å
310	G	65.4	Low	69.2	Low	48 Å²	48	84.4 Å²	84.4	50%	0.495	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	3.5	-166.7	0	0	0	0	0	119.6	D308	D308-G310 WeakPolarHBondContact OD1-CA 3.04Å; D308-G310 PolarHBondContact OD1-N 2.9Å
311	C	80.4	Confident	70.4	Confident	15 Å²	15	85.3 Å²	85.3	10%	0.101	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-124.4	86	172.6	-179.4	0	0	0	0	111.2	C290 Y309 F313 M314 A317	C290-C311 HydrophobicContact CB-CB 3.82Å; C290-C311 WeakPolarHBondContact CB-SG 3.12Å; C290-C311 WeakPolarHBondContact SG-CA 3.34Å; C290-C311 WeakPolarHBondContact SG-CB 3.11Å; C290-C311 CovalentContact SG-SG 2Å; C290-C311 PolarHBondContact SG-SG 2.91Å; Y309-C311 CarbonylContact O-C 3.58Å; Y309-C311 PolarHBondContact O-N 2.61Å; C311-F313 PolarHBondContact O-N 2.91Å; C311-M314 WeakPolarHBondContact O-CB 3.46Å; C311-M314 WeakPolarHBondContact O-CE 3.43Å; C311-M314 PolarHBondContact O-N 3.19Å; C311-M314 WeakPolarHBondContact SG-CE 3.29Å; C311-A317 HydrophobicContact CB-CB 4.27Å; C311-A317 WeakPolarHBondContact SG-CA 3.38Å; C311-A317 WeakPolarHBondContact SG-CB 3.17Å
312	N	84	Confident	71.4	Confident	9 Å²	9	85.3 Å²	85.3	5%	0.048	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	37.2	176	-65.2	-28.7	0	0	0	114.4	Y287 K292 K293 I294 M314	Y287-N312 PolarHBondContact O-ND2 2.96Å; K292-N312 PolarHBondContact O-ND2 3.39Å; K293-N312 WeakPolarHBondContact CA-OD1 3.15Å; I294-N312 HydrophobicContact CD1-CB 4.28Å; I294-N312 PolarHBondContact N-OD1 3.46Å; N312-M314 HydrophobicContact CB-CE 4.38Å; N312-M314 PolarHBondContact O-N 3.28Å
313	F	80.7	Confident	72.6	Confident	48 Å²	48	81.8 Å²	81.8	21%	0.211	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	19.4	179.5	-51.8	-98.8	0	0	0	115.3	V303 Y309 C311 L343 A347	V303-F313 HydrophobicContact CB-CE1 4.16Å; V303-F313 HydrophobicContact CG1-CD1 4.16Å; V303-F313 HydrophobicContact CG1-CE1 3.64Å; V303-F313 HydrophobicContact CG2-CE1 3.4Å; V303-F313 HydrophobicContact CG2-CZ 3.68Å; Y309-F313 PolarHBondContact O-N 3.07Å; C311-F313 PolarHBondContact O-N 2.91Å; F313-L343 HydrophobicContact CB-CB 3.76Å; F313-A347 HydrophobicContact CB-CB 4.48Å; F313-A347 HydrophobicContact CD2-CB 3.37Å; F313-A347 HydrophobicContact CE2-CB 3.88Å; F313-A347 HydrophobicContact CG-CB 4.2Å
314	M	84.4	Confident	73.7	Confident	17 Å²	17	85.1 Å²	85.1	8%	0.084	47%	0.466	C	S	.	.	B	Isolated β-bridge	trans	-90.1	147.9	167	-60.3	176.6	-60.2	0	0	109.9	L288 C311 N312 H316 M344	L288-M314 HydrophobicContact CD2-SD 3.82Å; L288-M314 WeakPolarHBondContact O-CE 3.4Å; C311-M314 WeakPolarHBondContact O-CB 3.46Å; C311-M314 WeakPolarHBondContact O-CE 3.43Å; C311-M314 PolarHBondContact O-N 3.19Å; C311-M314 WeakPolarHBondContact SG-CE 3.29Å; N312-M314 HydrophobicContact CB-CE 4.38Å; N312-M314 PolarHBondContact O-N 3.28Å; M314-H316 VanDerWaalsContact C-N 3.3Å; M314-H316 PolarHBondContact O-N 3.49Å; M314-M344 HydrophobicContact CG-CB 3.75Å; M314-M344 HydrophobicContact CG-CE 4.4Å; M314-M344 HydrophobicContact CG-CG 3.57Å; M314-M344 HydrophobicContact SD-CE 4.37Å; M314-M344 HydrophobicContact SD-CG 3.96Å
315	E	80.1	Confident	75.5	Confident	147 Å²	147	81.6 Å²	81.6	69%	0.687	45%	0.454	S	S	*	.	S	Bend	trans	-62.4	-39.8	175.1	-65.6	-177.6	173.3	0	0	111.7
316	H	83	Confident	77.1	Confident	154 Å²	154	81.3 Å²	81.3	71%	0.713	44%	0.44	S	S	*	.	S	Bend	trans	-136.7	140.7	176.6	-60.3	-49.7	0	0	0	110.1	M314	M314-H316 VanDerWaalsContact C-N 3.3Å; M314-H316 PolarHBondContact O-N 3.49Å
317	A	88.7	Confident	79	Confident	26 Å²	26	81.2 Å²	81.2	22%	0.215	43%	0.431	C	S	.	.			trans	-59.4	144.8	166.1	0	0	0	0	0	110	C311 Q319	C311-A317 HydrophobicContact CB-CB 4.27Å; C311-A317 WeakPolarHBondContact SG-CA 3.38Å; C311-A317 WeakPolarHBondContact SG-CB 3.17Å; A317-Q319 PolarHBondContact O-N 2.72Å
318	L	91.7	Very high	81.1	Confident	17 Å²	17	75.9 Å²	75.9	9%	0.089	41%	0.408	C	S	.	.			trans	-58.4	123.3	173.2	-175.1	70.9	0	0	0	109.7	Y285 L288 T289 I333 K336 A337	Y285-L318 HydrophobicContact CD2-CD2 4.29Å; L288-L318 HydrophobicContact CB-CB 3.91Å; L288-L318 HydrophobicContact CB-CD2 3.86Å; L288-L318 HydrophobicContact CD1-CD2 4.07Å; L288-L318 WeakPolarHBondContact O-CB 3.38Å; L288-L318 PolarHBondContact O-N 2.86Å; T289-L318 HydrophobicContact CG2-CB 4.39Å; L318-I333 HydrophobicContact CD2-CG1 3.83Å; L318-K336 HydrophobicContact CD1-CB 3.58Å; L318-A337 HydrophobicContact CD1-CB 4.39Å
319	Q	90.7	Very high	82.9	Confident	134 Å²	134	69.7 Å²	69.7	63%	0.626	38%	0.375	S	S	*	.			trans	-108.1	117.4	177.8	-63.1	-61.3	-33.1	0	0	110.5	A317 K336	A317-Q319 PolarHBondContact O-N 2.72Å; Q319-K336 WeakPolarHBondContact O-CD 3.38Å; Q319-K336 PolarHBondContact O-NZ 3.31Å
320	C	89.3	Confident	84.5	Confident	26 Å²	26	65.3 Å²	65.3	18%	0.176	36%	0.358	C	S	.	.			trans	-111.9	133.2	177.2	-56	0	0	0	0	109.8	S322 T323 C332	C320-S322 VanDerWaalsContact C-N 3.34Å; C320-S322 PolarHBondContact O-N 3.08Å; C320-T323 HydrophobicContact CB-CG2 3.51Å; C320-C332 WeakPolarHBondContact CA-SG 3.13Å; C320-C332 HydrophobicContact CB-CB 3.83Å; C320-C332 WeakPolarHBondContact CB-SG 3.35Å; C320-C332 WeakPolarHBondContact SG-CB 3.28Å; C320-C332 CovalentContact SG-SG 2.01Å; C320-C332 PolarHBondContact SG-SG 3.3Å
321	D	80.3	Confident	85.8	Confident	146 Å²	146	65.9 Å²	65.9	78%	0.781	35%	0.348	S	S	*	.	S	Bend	trans	-72.1	-27.5	-168.4	-56.3	-55.5	0	0	0	112.9	K336	D321-K336 IonicContact OD1-NZ 3.05Å; D321-K336 IonicContact OD2-NZ 3.57Å; D321-K336 PolarHBondContact OD2-NZ 3.37Å
322	S	69.8	Low	86.5	Confident	80 Å²	80	65.8 Å²	65.8	56%	0.559	35%	0.347	S	S	*	.			trans	-164	115.7	167.1	59.1	0	0	0	0	110.4	C320	C320-S322 VanDerWaalsContact C-N 3.34Å; C320-S322 PolarHBondContact O-N 3.08Å
323	T	71.1	Confident	87	Confident	56 Å²	56	65.3 Å²	65.3	34%	0.344	35%	0.345	S	S	.	.			trans	-102.7	88.6	175.7	42.7	0	0	0	0	110	Y285 C320 V329	Y285-T323 HydrophobicContact CE2-CG2 3.94Å; Y285-T323 PolarHBondContact OH-OG1 2.83Å; C320-T323 HydrophobicContact CB-CG2 3.51Å; T323-V329 HydrophobicContact CG2-CB 4.49Å; T323-V329 HydrophobicContact CG2-CG2 3.63Å
324	V	80.5	Confident	87.7	Confident	122 Å²	122	63.9 Å²	63.9	74%	0.739	34%	0.338	S	S	*	.			trans	-97.8	-35.8	179	-175.6	0	0	0	0	110.8	D328	V324-D328 PolarHBondContact N-OD2 2.99Å
325	T	90.8	Very high	88.1	Confident	68 Å²	68	68.8 Å²	68.8	42%	0.417	36%	0.364	S	S	.	.	S	Bend	trans	-126.1	160.6	-176.4	70.1	0	0	0	0	111.6	K327 D328 V329	T325-K327 PolarHBondContact O-N 2.94Å; T325-K327 PolarHBondContact OG1-N 2.9Å; T325-D328 WeakPolarHBondContact CB-OD2 3.46Å; T325-D328 PolarHBondContact N-OD2 3.04Å; T325-D328 PolarHBondContact O-N 3.2Å; T325-D328 VanDerWaalsContact O-N 3.08Å; T325-D328 PolarHBondContact OG1-N 2.98Å; T325-D328 PolarHBondContact OG1-OD2 3.1Å; T325-V329 PolarHBondContact O-N 3.45Å; T325-V329 VanDerWaalsContact O-N 3.17Å
326	E	90.6	Very high	88.7	Confident	69 Å²	69	66.4 Å²	66.4	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-55.7	-34.2	172.1	-175.8	-178.9	168.2	0	0	111.7	T195 S196 V281 V329 Y330	T195-E326 WeakPolarHBondContact CA-OE1 3.46Å; S196-E326 WeakPolarHBondContact CB-OE2 3.46Å; S196-E326 PolarHBondContact N-OE1 3.45Å; S196-E326 PolarHBondContact OG-OE2 3.36Å; V281-E326 HydrophobicContact CB-CG 4.22Å; V281-E326 HydrophobicContact CG1-CG 4.1Å; E326-V329 PolarHBondContact O-N 3.16Å; E326-Y330 VanDerWaalsContact O-CB 3.3Å; E326-Y330 WeakPolarHBondContact O-CB 3.38Å; E326-Y330 PolarHBondContact O-N 3.06Å
327	K	92.3	Very high	89.2	Confident	108 Å²	108	59.4 Å²	59.4	47%	0.47	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-41.5	176.7	-172.2	173.1	-177.9	170.3	0	112.2	L197 T325 V329 Y330 E331	L197-K327 HydrophobicContact CD2-CB 4Å; L197-K327 HydrophobicContact CD2-CG 4.49Å; T325-K327 PolarHBondContact O-N 2.94Å; T325-K327 PolarHBondContact OG1-N 2.9Å; K327-V329 VanDerWaalsContact C-N 3.34Å; K327-Y330 PolarHBondContact O-N 3.04Å; K327-E331 WeakPolarHBondContact O-CB 3.23Å; K327-E331 WeakPolarHBondContact O-CG 3.38Å; K327-E331 PolarHBondContact O-N 3.38Å
328	D	92.8	Very high	89.3	Confident	60 Å²	60	62.2 Å²	62.2	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-40.1	178.1	-53.9	-44.2	0	0	0	111.1	V324 T325 C332	V324-D328 PolarHBondContact N-OD2 2.99Å; T325-D328 WeakPolarHBondContact CB-OD2 3.46Å; T325-D328 PolarHBondContact N-OD2 3.04Å; T325-D328 PolarHBondContact O-N 3.2Å; T325-D328 VanDerWaalsContact O-N 3.08Å; T325-D328 PolarHBondContact OG1-N 2.98Å; T325-D328 PolarHBondContact OG1-OD2 3.1Å; D328-C332 VanDerWaalsContact O-CB 3.28Å; D328-C332 WeakPolarHBondContact O-CB 3.29Å; D328-C332 PolarHBondContact O-N 2.88Å
329	V	93.5	Very high	89.5	Confident	16 Å²	16	61.4 Å²	61.4	10%	0.097	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-48.7	174.9	178.5	0	0	0	0	110.6	V281 Y285 T323 T325 E326 K327 E331 C332 I333	V281-V329 HydrophobicContact CG1-CB 3.92Å; V281-V329 HydrophobicContact CG1-CG1 3.48Å; V281-V329 VanDerWaalsContact CG1-CG1 3.48Å; Y285-V329 HydrophobicContact CD1-CG1 4.3Å; Y285-V329 HydrophobicContact CD2-CG1 3.45Å; Y285-V329 VanDerWaalsContact CD2-CG1 3.45Å; Y285-V329 HydrophobicContact CE2-CG1 4.18Å; Y285-V329 HydrophobicContact CG-CG1 3.49Å; Y285-V329 VanDerWaalsContact CG-CG1 3.49Å; T323-V329 HydrophobicContact CG2-CB 4.49Å; T323-V329 HydrophobicContact CG2-CG2 3.63Å; T325-V329 PolarHBondContact O-N 3.45Å; T325-V329 VanDerWaalsContact O-N 3.17Å; E326-V329 PolarHBondContact O-N 3.16Å; K327-V329 VanDerWaalsContact C-N 3.34Å; V329-E331 PolarHBondContact O-N 3.4Å; V329-C332 WeakPolarHBondContact O-CB 3.44Å; V329-C332 PolarHBondContact O-N 3.48Å; V329-I333 HydrophobicContact CG1-CD1 4.05Å; V329-I333 HydrophobicContact CG1-CG1 4.48Å; V329-I333 WeakPolarHBondContact O-CG1 3.43Å; V329-I333 PolarHBondContact O-N 2.96Å
330	Y	94.7	Very high	89.5	Confident	5 Å²	5	58 Å²	58	2%	0.02	32%	0.319	C	S	.	.	H	α-helix	trans	-56.7	-50.9	177.5	167.3	-91.5	0	0	0	111.5	F81 L193 T195 L197 A200 V281 E326 K327 C332 I333 K334	F81-Y330 HydrophobicContact CB-CE2 3.62Å; F81-Y330 WeakPolarHBondContact CB-OH 3.48Å; F81-Y330 HydrophobicContact CD2-CE2 4.17Å; F81-Y330 HydrophobicContact CG-CE2 4.26Å; F81-Y330 PolarHBondContact O-OH 2.93Å; L193-Y330 HydrophobicContact CD2-CD2 4.36Å; T195-Y330 HydrophobicContact CG2-CD2 3.81Å; T195-Y330 HydrophobicContact CG2-CE2 4.07Å; L197-Y330 HydrophobicContact CD1-CD1 3.71Å; L197-Y330 HydrophobicContact CD1-CD2 4.1Å; L197-Y330 HydrophobicContact CD1-CE1 4.31Å; L197-Y330 HydrophobicContact CD1-CG 3.61Å; A200-Y330 HydrophobicContact CB-CE1 4.44Å; A200-Y330 HydrophobicContact CB-CE2 3.86Å; A200-Y330 WeakPolarHBondContact CB-OH 3.35Å; V281-Y330 HydrophobicContact CG2-CD2 4.35Å; E326-Y330 VanDerWaalsContact O-CB 3.3Å; E326-Y330 WeakPolarHBondContact O-CB 3.38Å; E326-Y330 PolarHBondContact O-N 3.06Å; K327-Y330 PolarHBondContact O-N 3.04Å; Y330-C332 VanDerWaalsContact C-N 3.3Å; Y330-C332 PolarHBondContact O-N 3.37Å; Y330-I333 PolarHBondContact O-N 3.25Å; Y330-K334 HydrophobicContact CE1-CD 3.85Å; Y330-K334 VanDerWaalsContact O-CB 3.23Å; Y330-K334 WeakPolarHBondContact O-CB 3.3Å; Y330-K334 PolarHBondContact O-N 2.01Å
331	E	93.6	Very high	89.5	Confident	61 Å²	61	57.9 Å²	57.9	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-35.7	178.8	-72.1	-60.1	154.8	0	0	111.7	K327 V329 K334 L335	K327-E331 WeakPolarHBondContact O-CB 3.23Å; K327-E331 WeakPolarHBondContact O-CG 3.38Å; K327-E331 PolarHBondContact O-N 3.38Å; V329-E331 PolarHBondContact O-N 3.4Å; E331-K334 PolarHBondContact O-N 2.98Å; E331-K334 IonicContact OE1-NZ 2.75Å; E331-K334 IonicContact OE2-NZ 3.9Å; E331-L335 WeakPolarHBondContact O-CB 3.16Å; E331-L335 VanDerWaalsContact O-CG 3.3Å; E331-L335 WeakPolarHBondContact O-CG 3.47Å; E331-L335 PolarHBondContact O-N 2.67Å
332	C	94.3	Very high	89.8	Confident	12 Å²	12	54.9 Å²	54.9	8%	0.081	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-49.4	174.7	-175.4	0	0	0	0	112.2	C320 D328 V329 Y330 K334 L335 K336	C320-C332 WeakPolarHBondContact CA-SG 3.13Å; C320-C332 HydrophobicContact CB-CB 3.83Å; C320-C332 WeakPolarHBondContact CB-SG 3.35Å; C320-C332 WeakPolarHBondContact SG-CB 3.28Å; C320-C332 CovalentContact SG-SG 2.01Å; C320-C332 PolarHBondContact SG-SG 3.3Å; D328-C332 VanDerWaalsContact O-CB 3.28Å; D328-C332 WeakPolarHBondContact O-CB 3.29Å; D328-C332 PolarHBondContact O-N 2.88Å; V329-C332 WeakPolarHBondContact O-CB 3.44Å; V329-C332 PolarHBondContact O-N 3.48Å; Y330-C332 VanDerWaalsContact C-N 3.3Å; Y330-C332 PolarHBondContact O-N 3.37Å; C332-K334 VanDerWaalsContact C-N 3.33Å; C332-K334 PolarHBondContact O-N 3.33Å; C332-L335 PolarHBondContact O-N 2.91Å; C332-K336 WeakPolarHBondContact O-CB 3.12Å; C332-K336 PolarHBondContact O-N 3.27Å
333	I	94.6	Very high	90.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-46.8	177.4	-63.2	172.9	0	0	0	109.6	F81 V281 L284 L288 L318 V329 Y330 L335 A337 F339	F81-I333 HydrophobicContact CE2-CB 4.48Å; F81-I333 HydrophobicContact CE2-CG2 3.78Å; F81-I333 HydrophobicContact CZ-CG2 4.05Å; V281-I333 HydrophobicContact CG1-CD1 4.33Å; L284-I333 HydrophobicContact CD2-CD1 4.46Å; L284-I333 HydrophobicContact CD2-CG2 4.21Å; L284-I333 HydrophobicContact CG-CD1 4.43Å; L288-I333 HydrophobicContact CD1-CB 4.47Å; L288-I333 HydrophobicContact CD1-CD1 4.25Å; L288-I333 HydrophobicContact CD1-CG1 4Å; L288-I333 HydrophobicContact CD1-CG2 3.75Å; L318-I333 HydrophobicContact CD2-CG1 3.83Å; V329-I333 HydrophobicContact CG1-CD1 4.05Å; V329-I333 HydrophobicContact CG1-CG1 4.48Å; V329-I333 WeakPolarHBondContact O-CG1 3.43Å; V329-I333 PolarHBondContact O-N 2.96Å; Y330-I333 PolarHBondContact O-N 3.25Å; I333-L335 VanDerWaalsContact C-N 3.29Å; I333-L335 PolarHBondContact O-N 3.39Å; I333-A337 HydrophobicContact CG2-CB 3.78Å; I333-A337 WeakPolarHBondContact O-CB 3.49Å; I333-A337 PolarHBondContact O-N 2.98Å; I333-F339 HydrophobicContact CG2-CE2 4.34Å; I333-F339 HydrophobicContact CG2-CZ 3.99Å
334	K	94.9	Very high	91.4	Very high	18 Å²	18	51.9 Å²	51.9	8%	0.078	28%	0.28	C	S	.	.	H	α-helix	trans	-53.4	-46.5	179.5	-177.2	176.3	169.4	-173.5	0	112.1	P78 R80 F81 Y330 E331 C332	P78-K334 WeakPolarHBondContact O-CE 3.34Å; P78-K334 PolarHBondContact O-NZ 2.77Å; R80-K334 HydrophobicContact CB-CG 4.26Å; R80-K334 PolarHBondContact NH1-O 2.93Å; R80-K334 WeakPolarHBondContact O-CE 3.44Å; F81-K334 HydrophobicContact CD2-CB 3.89Å; F81-K334 HydrophobicContact CD2-CG 4.19Å; F81-K334 HydrophobicContact CE2-CB 4.23Å; Y330-K334 HydrophobicContact CE1-CD 3.85Å; Y330-K334 VanDerWaalsContact O-CB 3.23Å; Y330-K334 WeakPolarHBondContact O-CB 3.3Å; Y330-K334 PolarHBondContact O-N 2.01Å; E331-K334 PolarHBondContact O-N 2.98Å; E331-K334 IonicContact OE1-NZ 2.75Å; E331-K334 IonicContact OE2-NZ 3.9Å; C332-K334 VanDerWaalsContact C-N 3.33Å; C332-K334 PolarHBondContact O-N 3.33Å
335	L	93	Very high	91.8	Very high	119 Å²	119	47.3 Å²	47.3	62%	0.623	25%	0.249	S	C	*	.	H	α-helix	trans	-85.4	-36.6	-175.4	-67.2	172.8	0	0	0	114.3	E331 C332 I333	E331-L335 WeakPolarHBondContact O-CB 3.16Å; E331-L335 VanDerWaalsContact O-CG 3.3Å; E331-L335 WeakPolarHBondContact O-CG 3.47Å; E331-L335 PolarHBondContact O-N 2.67Å; C332-L335 PolarHBondContact O-N 2.91Å; I333-L335 VanDerWaalsContact C-N 3.29Å; I333-L335 PolarHBondContact O-N 3.39Å
336	K	92.8	Very high	91.6	Very high	98 Å²	98	49.6 Å²	49.6	43%	0.426	25%	0.253	S	S	.	.	H	α-helix	trans	-111.6	-18.4	-166.8	-61.8	-173.7	-175.4	-175.8	0	114.6	L318 Q319 D321 C332	L318-K336 HydrophobicContact CD1-CB 3.58Å; Q319-K336 WeakPolarHBondContact O-CD 3.38Å; Q319-K336 PolarHBondContact O-NZ 3.31Å; D321-K336 IonicContact OD1-NZ 3.05Å; D321-K336 IonicContact OD2-NZ 3.57Å; D321-K336 PolarHBondContact OD2-NZ 3.37Å; C332-K336 WeakPolarHBondContact O-CB 3.12Å; C332-K336 PolarHBondContact O-N 3.27Å
337	A	93.1	Very high	91.3	Very high	7 Å²	7	46.6 Å²	46.6	6%	0.058	24%	0.24	C	C	.	.			trans	-73.9	136.5	-180	0	0	0	0	0	111.5	R80 L288 L318 I333 F339	R80-A337 PolarHBondContact NH1-O 2.77Å; L288-A337 HydrophobicContact CD1-CB 3.92Å; L318-A337 HydrophobicContact CD1-CB 4.39Å; I333-A337 HydrophobicContact CG2-CB 3.78Å; I333-A337 WeakPolarHBondContact O-CB 3.49Å; I333-A337 PolarHBondContact O-N 2.98Å; A337-F339 HydrophobicContact CB-CD2 4.38Å; A337-F339 HydrophobicContact CB-CE2 3.7Å; A337-F339 HydrophobicContact CB-CZ 3.93Å
338	D	91.9	Very high	91.1	Very high	84 Å²	84	41.5 Å²	41.5	45%	0.449	22%	0.218	S	C	.	.			trans	-108.9	96.7	175.1	173.5	24	0	0	0	110.6	S340 M344	D338-S340 PolarHBondContact O-N 2.89Å; D338-S340 VanDerWaalsContact OD1-CB 3.25Å; D338-S340 WeakPolarHBondContact OD1-CB 3.46Å; D338-S340 PolarHBondContact OD1-N 3.3Å; D338-S340 PolarHBondContact OD1-OG 3.11Å; D338-S340 PolarHBondContact OD2-OG 2.88Å; D338-M344 WeakPolarHBondContact O-CE 3.14Å
339	F	94.2	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.2	176.8	-63.5	-78.4	0	0	0	113.4	F81 I104 F106 P189 L190 L284 L288 I333 A337 N341 R345	F81-F339 HydrophobicContact CE2-CE2 4.47Å; F81-F339 AromaticContact CZ-CE2 3.67Å; F81-F339 HydrophobicContact CZ-CE2 3.67Å; F81-F339 AromaticContact CZ-CZ 3.89Å; F81-F339 HydrophobicContact CZ-CZ 3.89Å; I104-F339 WeakPolarHBondContact CG2-O 3.38Å; F106-F339 HydrophobicContact CE1-CD1 4.13Å; F106-F339 HydrophobicContact CZ-CB 4.25Å; F106-F339 AromaticContact CZ-CD1 3.97Å; F106-F339 HydrophobicContact CZ-CD1 3.97Å; F106-F339 HydrophobicContact CZ-CG 4.43Å; P189-F339 HydrophobicContact CB-CE1 3.96Å; P189-F339 HydrophobicContact CB-CZ 4.41Å; P189-F339 HydrophobicContact CG-CD1 3.88Å; P189-F339 HydrophobicContact CG-CE1 3.66Å; L190-F339 HydrophobicContact CD1-CB 4.21Å; L190-F339 HydrophobicContact CD2-CB 4.49Å; L190-F339 HydrophobicContact CD2-CD2 3.64Å; L190-F339 HydrophobicContact CD2-CE2 4.09Å; L190-F339 HydrophobicContact CD2-CG 4.12Å; L190-F339 HydrophobicContact CG-CB 4.46Å; L190-F339 HydrophobicContact CG-CD2 4.28Å; L190-F339 HydrophobicContact CG-CG 4.28Å; L284-F339 HydrophobicContact CD1-CE1 4.41Å; L284-F339 HydrophobicContact CD2-CE1 4.24Å; L284-F339 HydrophobicContact CD2-CZ 4.03Å; L288-F339 HydrophobicContact CD1-CZ 4.45Å; I333-F339 HydrophobicContact CG2-CE2 4.34Å; I333-F339 HydrophobicContact CG2-CZ 3.99Å; A337-F339 HydrophobicContact CB-CD2 4.38Å; A337-F339 HydrophobicContact CB-CE2 3.7Å; A337-F339 HydrophobicContact CB-CZ 3.93Å; F339-N341 VanDerWaalsContact C-N 3.35Å; F339-R345 WeakPolarHBondContact O-CD 3.29Å
340	S	91.6	Very high	90.2	Very high	64 Å²	64	39.9 Å²	39.9	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.6	-180	76.8	0	0	0	0	112.9	D338 P342	D338-S340 PolarHBondContact O-N 2.89Å; D338-S340 VanDerWaalsContact OD1-CB 3.25Å; D338-S340 WeakPolarHBondContact OD1-CB 3.46Å; D338-S340 PolarHBondContact OD1-N 3.3Å; D338-S340 PolarHBondContact OD1-OG 3.11Å; D338-S340 PolarHBondContact OD2-OG 2.88Å; S340-P342 WeakPolarHBondContact O-CD 3.43Å; S340-P342 VanDerWaalsContact O-N 3.15Å
341	N	89.7	Confident	89.7	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.123	21%	0.207	C	C	.	.			trans	-57	114.9	-177.7	-176.2	-50.4	0	0	0	111.9	F339 L343 M344 R345	F339-N341 VanDerWaalsContact C-N 3.35Å; N341-L343 PolarHBondContact O-N 2.88Å; N341-L343 PolarHBondContact OD1-N 3.19Å; N341-M344 HydrophobicContact CB-CB 4.13Å; N341-M344 HydrophobicContact CB-CE 4.08Å; N341-M344 PolarHBondContact OD1-N 3.42Å; N341-R345 WeakPolarHBondContact O-CG 3.41Å; N341-R345 PolarHBondContact O-N 3.38Å; N341-R345 VanDerWaalsContact O-N 3.13Å
342	P	86.6	Confident	89.2	Confident	82 Å²	82	38 Å²	38	53%	0.532	20%	0.2	S	C	.	.	H	α-helix	trans	-69.3	-31.1	-174.5	27.1	-34.4	0	0	0	113.7	S340 K346	S340-P342 WeakPolarHBondContact O-CD 3.43Å; S340-P342 VanDerWaalsContact O-N 3.15Å; P342-K346 WeakPolarHBondContact O-CB 3.22Å; P342-K346 PolarHBondContact O-N 3.23Å
343	L	84.9	Confident	88.2	Confident	72 Å²	72	40.3 Å²	40.3	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-73.4	-43.3	-179.5	-61.3	177.7	0	0	0	111.1	Y309 F313 N341 R345 K346 A347	Y309-L343 HydrophobicContact CE1-CD1 4.28Å; Y309-L343 HydrophobicContact CE2-CD1 4.3Å; F313-L343 HydrophobicContact CB-CB 3.76Å; N341-L343 PolarHBondContact O-N 2.88Å; N341-L343 PolarHBondContact OD1-N 3.19Å; L343-R345 VanDerWaalsContact C-N 3.34Å; L343-R345 PolarHBondContact O-N 3.17Å; L343-K346 PolarHBondContact O-N 3.2Å; L343-A347 PolarHBondContact O-N 3.17Å
344	M	88.4	Confident	86.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-42.8	174.2	179.4	-110.5	-55.6	0	0	111.4	M314 D338 N341 K346 A347 F348	M314-M344 HydrophobicContact CG-CB 3.75Å; M314-M344 HydrophobicContact CG-CE 4.4Å; M314-M344 HydrophobicContact CG-CG 3.57Å; M314-M344 HydrophobicContact SD-CE 4.37Å; M314-M344 HydrophobicContact SD-CG 3.96Å; D338-M344 WeakPolarHBondContact O-CE 3.14Å; N341-M344 HydrophobicContact CB-CB 4.13Å; N341-M344 HydrophobicContact CB-CE 4.08Å; N341-M344 PolarHBondContact OD1-N 3.42Å; M344-K346 PolarHBondContact O-N 2.77Å; M344-A347 WeakPolarHBondContact O-CB 3.43Å; M344-A347 PolarHBondContact O-N 3.14Å; M344-F348 HydrophobicContact CG-CD1 4.2Å; M344-F348 HydrophobicContact CG-CE1 3.84Å; M344-F348 HydrophobicContact CG-CZ 4.16Å; M344-F348 VanDerWaalsContact O-CD1 3.31Å; M344-F348 WeakPolarHBondContact O-CD1 3.2Å; M344-F348 PolarHBondContact O-N 2.77Å; M344-F348 HydrophobicContact SD-CD1 4.36Å; M344-F348 HydrophobicContact SD-CD2 4.29Å; M344-F348 HydrophobicContact SD-CE1 3.98Å; M344-F348 HydrophobicContact SD-CE2 3.9Å; M344-F348 HydrophobicContact SD-CZ 3.74Å
345	R	90.3	Very high	84.9	Confident	26 Å²	26	46.6 Å²	46.6	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-44.4	174.3	-71.2	-175.2	-59.1	113.7	-5.5	112.4	I104 Q105 F106 F339 N341 L343 A347 F348 T349	I104-R345 HydrophobicContact CG2-CG 4.43Å; Q105-R345 WeakPolarHBondContact O-CD 3.39Å; Q105-R345 PolarHBondContact O-NH1 3.28Å; Q105-R345 VanDerWaalsContact O-NH1 3.17Å; F106-R345 HydrophobicContact CD1-CG 4.3Å; F106-R345 HydrophobicContact CE1-CG 4.08Å; F339-R345 WeakPolarHBondContact O-CD 3.29Å; N341-R345 WeakPolarHBondContact O-CG 3.41Å; N341-R345 PolarHBondContact O-N 3.38Å; N341-R345 VanDerWaalsContact O-N 3.13Å; L343-R345 VanDerWaalsContact C-N 3.34Å; L343-R345 PolarHBondContact O-N 3.17Å; R345-A347 VanDerWaalsContact C-N 3.27Å; R345-A347 PolarHBondContact O-N 3.19Å; R345-F348 CarbonylContact O-C 3.48Å; R345-F348 WeakPolarHBondContact O-CB 3.39Å; R345-F348 PolarHBondContact O-N 2.81Å; R345-F348 VanDerWaalsContact O-N 3.12Å; R345-T349 PolarHBondContact O-N 3.13Å; R345-T349 PolarHBondContact O-OG1 2.77Å; R345-T349 VanDerWaalsContact O-OG1 3.11Å
346	K	85.3	Confident	82.5	Confident	117 Å²	117	42.9 Å²	42.9	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-37.4	175.3	-172.1	176.5	-177.8	-178.3	0	112.1	P342 L343 M344 T349 Y350	P342-K346 WeakPolarHBondContact O-CB 3.22Å; P342-K346 PolarHBondContact O-N 3.23Å; L343-K346 PolarHBondContact O-N 3.2Å; M344-K346 PolarHBondContact O-N 2.77Å; K346-T349 WeakPolarHBondContact O-CB 3.38Å; K346-T349 PolarHBondContact O-N 3.48Å; K346-Y350 PolarHBondContact O-N 3.01Å
347	A	84.5	Confident	80.4	Confident	6 Å²	6	41.7 Å²	41.7	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-43.6	173.6	0	0	0	0	0	111.3	I294 F313 L343 M344 R345 Y350 E351	I294-A347 HydrophobicContact CD1-CB 3.73Å; F313-A347 HydrophobicContact CB-CB 4.48Å; F313-A347 HydrophobicContact CD2-CB 3.37Å; F313-A347 HydrophobicContact CE2-CB 3.88Å; F313-A347 HydrophobicContact CG-CB 4.2Å; L343-A347 PolarHBondContact O-N 3.17Å; M344-A347 WeakPolarHBondContact O-CB 3.43Å; M344-A347 PolarHBondContact O-N 3.14Å; R345-A347 VanDerWaalsContact C-N 3.27Å; R345-A347 PolarHBondContact O-N 3.19Å; A347-Y350 WeakPolarHBondContact O-CB 3.47Å; A347-Y350 PolarHBondContact O-N 3.08Å; A347-Y350 VanDerWaalsContact O-N 3.14Å; A347-E351 PolarHBondContact O-N 2.87Å
348	F	89.2	Confident	78.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-42.4	176.4	-76.9	23.9	0	0	0	111.2	F106 W279 L284 L288 I294 M344 R345 Y350 E351 V352 L368	F106-F348 HydrophobicContact CD1-CB 4.44Å; F106-F348 HydrophobicContact CD1-CD2 4.14Å; F106-F348 HydrophobicContact CE1-CD2 4.3Å; W279-F348 HydrophobicContact CH2-CD2 4.05Å; W279-F348 HydrophobicContact CZ3-CD2 4.01Å; W279-F348 HydrophobicContact CZ3-CE2 4.28Å; L284-F348 HydrophobicContact CD1-CE2 3.84Å; L284-F348 HydrophobicContact CD1-CZ 4.22Å; L288-F348 HydrophobicContact CD2-CZ 4.3Å; I294-F348 HydrophobicContact CD1-CD1 3.62Å; I294-F348 HydrophobicContact CD1-CE1 4.01Å; M344-F348 HydrophobicContact CG-CD1 4.2Å; M344-F348 HydrophobicContact CG-CE1 3.84Å; M344-F348 HydrophobicContact CG-CZ 4.16Å; M344-F348 VanDerWaalsContact O-CD1 3.31Å; M344-F348 WeakPolarHBondContact O-CD1 3.2Å; M344-F348 PolarHBondContact O-N 2.77Å; M344-F348 HydrophobicContact SD-CD1 4.36Å; M344-F348 HydrophobicContact SD-CD2 4.29Å; M344-F348 HydrophobicContact SD-CE1 3.98Å; M344-F348 HydrophobicContact SD-CE2 3.9Å; M344-F348 HydrophobicContact SD-CZ 3.74Å; R345-F348 CarbonylContact O-C 3.48Å; R345-F348 WeakPolarHBondContact O-CB 3.39Å; R345-F348 PolarHBondContact O-N 2.81Å; R345-F348 VanDerWaalsContact O-N 3.12Å; F348-Y350 PolarHBondContact O-N 3.27Å; F348-E351 PolarHBondContact O-N 2.93Å; F348-E351 VanDerWaalsContact O-N 3.15Å; F348-V352 WeakPolarHBondContact O-CG2 3.39Å; F348-V352 PolarHBondContact O-N 2.79Å; F348-L368 HydrophobicContact CB-CD1 4.07Å; F348-L368 HydrophobicContact CD1-CD1 3.94Å; F348-L368 HydrophobicContact CD2-CD1 3.76Å; F348-L368 HydrophobicContact CE1-CD1 4.3Å; F348-L368 HydrophobicContact CE2-CD1 4.14Å; F348-L368 HydrophobicContact CG-CD1 3.64Å; F348-L368 HydrophobicContact CZ-CD1 4.39Å
349	T	86.3	Confident	75.6	Confident	11 Å²	11	48.5 Å²	48.5	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-54.1	-44.3	170.8	-61	0	0	0	0	110.5	F106 M107 R345 K346 V352 T353	F106-T349 VanDerWaalsContact C-OG1 3.24Å; F106-T349 WeakPolarHBondContact O-CA 3.37Å; F106-T349 PolarHBondContact O-OG1 3.41Å; F106-T349 VanDerWaalsContact O-OG1 3.06Å; M107-T349 HydrophobicContact CB-CG2 4.48Å; R345-T349 PolarHBondContact O-N 3.13Å; R345-T349 PolarHBondContact O-OG1 2.77Å; R345-T349 VanDerWaalsContact O-OG1 3.11Å; K346-T349 WeakPolarHBondContact O-CB 3.38Å; K346-T349 PolarHBondContact O-N 3.48Å; T349-V352 PolarHBondContact O-N 2.82Å; T349-T353 WeakPolarHBondContact O-CB 3.38Å; T349-T353 PolarHBondContact O-N 3.32Å; T349-T353 PolarHBondContact O-OG1 2.7Å
350	Y	80.5	Confident	72.8	Confident	31 Å²	31	54 Å²	54	12%	0.122	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-46.5	176.9	-176.2	-81.1	0	0	0	111.9	I294 S296 E297 W300 K346 A347 F348 V352 T353 Y354 A355	I294-Y350 HydrophobicContact CG2-CD1 4.25Å; S296-Y350 WeakPolarHBondContact CA-OH 3.27Å; S296-Y350 VanDerWaalsContact CB-OH 3.27Å; S296-Y350 WeakPolarHBondContact CB-OH 3.12Å; E297-Y350 PolarHBondContact N-OH 3Å; W300-Y350 HydrophobicContact CZ2-CD2 4.41Å; W300-Y350 HydrophobicContact CZ2-CE2 4.4Å; W300-Y350 AromaticContact NE1-CD2 3.41Å; W300-Y350 AromaticContact NE1-CE2 3.18Å; K346-Y350 PolarHBondContact O-N 3.01Å; A347-Y350 WeakPolarHBondContact O-CB 3.47Å; A347-Y350 PolarHBondContact O-N 3.08Å; A347-Y350 VanDerWaalsContact O-N 3.14Å; F348-Y350 PolarHBondContact O-N 3.27Å; Y350-V352 VanDerWaalsContact C-N 3.27Å; Y350-V352 PolarHBondContact O-N 2.91Å; Y350-T353 PolarHBondContact O-N 3.38Å; Y350-Y354 AromaticContact CD2-CD2 3.42Å; Y350-Y354 HydrophobicContact CD2-CD2 3.42Å; Y350-Y354 VanDerWaalsContact CD2-CD2 3.42Å; Y350-Y354 HydrophobicContact CD2-CE2 4.33Å; Y350-Y354 AromaticContact CD2-CG 3.96Å; Y350-Y354 HydrophobicContact CD2-CG 3.96Å; Y350-Y354 AromaticContact CE2-CD2 3.68Å; Y350-Y354 HydrophobicContact CE2-CD2 3.68Å; Y350-Y354 AromaticContact CE2-CG 3.76Å; Y350-Y354 HydrophobicContact CE2-CG 3.76Å; Y350-Y354 HydrophobicContact CG-CD2 4.13Å; Y350-Y354 VanDerWaalsContact CZ-CB 3.42Å; Y350-Y354 CarbonylContact O-C 3.57Å; Y350-Y354 WeakPolarHBondContact O-CA 3.4Å; Y350-Y354 PolarHBondContact O-N 3.06Å; Y350-A355 PolarHBondContact O-N 2.8Å
351	E	83.4	Confident	70.2	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-42.3	177.4	-172.8	73.4	177.5	0	0	111.2	Y287 I294 A347 F348 A355 L368	Y287-E351 HydrophobicContact CE1-CG 4.13Å; Y287-E351 PolarHBondContact OH-OE1 2.77Å; I294-E351 HydrophobicContact CD1-CB 4.17Å; I294-E351 HydrophobicContact CG1-CB 4.13Å; I294-E351 HydrophobicContact CG1-CG 4.35Å; I294-E351 HydrophobicContact CG2-CB 4.26Å; I294-E351 WeakPolarHBondContact CG2-OE2 3.35Å; A347-E351 PolarHBondContact O-N 2.87Å; F348-E351 PolarHBondContact O-N 2.93Å; F348-E351 VanDerWaalsContact O-N 3.15Å; E351-A355 HydrophobicContact CB-CB 4.39Å; E351-A355 VanDerWaalsContact CD-CB 3.45Å; E351-A355 HydrophobicContact CG-CB 4.14Å; E351-A355 WeakPolarHBondContact O-CB 3.14Å; E351-A355 WeakPolarHBondContact OE2-CB 3.27Å; E351-L368 HydrophobicContact CB-CB 4.33Å; E351-L368 HydrophobicContact CB-CD1 4.32Å; E351-L368 HydrophobicContact CG-CB 3.8Å; E351-L368 HydrophobicContact CG-CD1 4.24Å; E351-L368 HydrophobicContact CG-CG 4.08Å
352	V	83.6	Confident	67.7	Low	22 Å²	22	60.8 Å²	60.8	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-70.8	-40.6	178.3	175	0	0	0	0	112.5	M107 L156 W279 F348 T349 Y350 L368 L370	M107-V352 HydrophobicContact CE-CG1 4.49Å; M107-V352 HydrophobicContact SD-CG1 4.42Å; L156-V352 HydrophobicContact CD1-CG1 3.69Å; L156-V352 HydrophobicContact CD1-CG2 4.36Å; W279-V352 HydrophobicContact CZ2-CG2 3.99Å; F348-V352 WeakPolarHBondContact O-CG2 3.39Å; F348-V352 PolarHBondContact O-N 2.79Å; T349-V352 PolarHBondContact O-N 2.82Å; Y350-V352 VanDerWaalsContact C-N 3.27Å; Y350-V352 PolarHBondContact O-N 2.91Å; V352-L368 HydrophobicContact CG2-CB 3.88Å; V352-L370 HydrophobicContact CG1-CD2 4.28Å
353	T	72.7	Confident	65.4	Low	60 Å²	60	63.6 Å²	63.6	37%	0.368	33%	0.328	S	S	.	.	H	α-helix	trans	-89.8	-36.6	-168.9	-50	0	0	0	0	113.1	T349 Y350	T349-T353 WeakPolarHBondContact O-CB 3.38Å; T349-T353 PolarHBondContact O-N 3.32Å; T349-T353 PolarHBondContact O-OG1 2.7Å; Y350-T353 PolarHBondContact O-N 3.38Å
354	Y	63.5	Low	63.4	Low	143 Å²	143	68.2 Å²	68.2	56%	0.561	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.9	-22.4	-164.8	-61	-68.6	0	0	0	114.5	Y350 S356	Y350-Y354 AromaticContact CD2-CD2 3.42Å; Y350-Y354 HydrophobicContact CD2-CD2 3.42Å; Y350-Y354 VanDerWaalsContact CD2-CD2 3.42Å; Y350-Y354 HydrophobicContact CD2-CE2 4.33Å; Y350-Y354 AromaticContact CD2-CG 3.96Å; Y350-Y354 HydrophobicContact CD2-CG 3.96Å; Y350-Y354 AromaticContact CE2-CD2 3.68Å; Y350-Y354 HydrophobicContact CE2-CD2 3.68Å; Y350-Y354 AromaticContact CE2-CG 3.76Å; Y350-Y354 HydrophobicContact CE2-CG 3.76Å; Y350-Y354 HydrophobicContact CG-CD2 4.13Å; Y350-Y354 VanDerWaalsContact CZ-CB 3.42Å; Y350-Y354 CarbonylContact O-C 3.57Å; Y350-Y354 WeakPolarHBondContact O-CA 3.4Å; Y350-Y354 PolarHBondContact O-N 3.06Å; Y354-S356 VanDerWaalsContact C-N 3.34Å; Y354-S356 PolarHBondContact O-N 2.89Å
355	A	56.8	Low	61.4	Low	8 Å²	8	69.6 Å²	69.6	7%	0.066	36%	0.363	C	S	.	.	S	Bend	trans	-57.5	116.6	168.8	0	0	0	0	0	105.3	Y350 E351 P357	Y350-A355 PolarHBondContact O-N 2.8Å; E351-A355 HydrophobicContact CB-CB 4.39Å; E351-A355 VanDerWaalsContact CD-CB 3.45Å; E351-A355 HydrophobicContact CG-CB 4.14Å; E351-A355 WeakPolarHBondContact O-CB 3.14Å; E351-A355 WeakPolarHBondContact OE2-CB 3.27Å; A355-P357 WeakPolarHBondContact O-CD 3.39Å
356	S	43.8	Very low	59.8	Low	40 Å²	40	73.1 Å²	73.1	28%	0.28	38%	0.379	S	S	.	.			trans	-66.2	117	-162.5	-169.1	0	0	0	0	105.9	Y354 F358 K359 Q367	Y354-S356 VanDerWaalsContact C-N 3.34Å; Y354-S356 PolarHBondContact O-N 2.89Å; S356-F358 PolarHBondContact O-N 3.26Å; S356-F358 VanDerWaalsContact OG-CA 3.24Å; S356-F358 WeakPolarHBondContact OG-CA 3.12Å; S356-F358 WeakPolarHBondContact OG-CB 3.35Å; S356-F358 WeakPolarHBondContact OG-CD2 3.3Å; S356-F358 WeakPolarHBondContact OG-CG 3.33Å; S356-F358 PolarHBondContact OG-N 2.92Å; S356-F358 VanDerWaalsContact OG-N 3.13Å; S356-K359 PolarHBondContact O-N 2.79Å; S356-Q367 PolarHBondContact O-NE2 3.21Å
357	P	47.7	Very low	59.3	Low	73 Å²	73	69.1 Å²	69.1	47%	0.474	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-7.8	156.9	23.4	-33	0	0	0	111.1	A355 Q436	A355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-Q436 HydrophobicContact CB-CG 4.36Å; P357-Q436 VanDerWaalsContact CB-NE2 3.33Å
358	F	45.9	Very low	59.4	Low	89 Å²	89	69 Å²	69	39%	0.39	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.5	177.9	-27.2	-136	0	0	0	114	S356 M432	S356-F358 PolarHBondContact O-N 3.26Å; S356-F358 VanDerWaalsContact OG-CA 3.24Å; S356-F358 WeakPolarHBondContact OG-CA 3.12Å; S356-F358 WeakPolarHBondContact OG-CB 3.35Å; S356-F358 WeakPolarHBondContact OG-CD2 3.3Å; S356-F358 WeakPolarHBondContact OG-CG 3.33Å; S356-F358 PolarHBondContact OG-N 2.92Å; S356-F358 VanDerWaalsContact OG-N 3.13Å; F358-M432 HydrophobicContact CD1-CE 2.95Å; F358-M432 HydrophobicContact CD1-SD 4.27Å; F358-M432 HydrophobicContact CE1-CE 2.91Å; F358-M432 HydrophobicContact CG-CE 4.07Å; F358-M432 HydrophobicContact CZ-CE 4.02Å
359	K	38.6	Very low	59.2	Low	146 Å²	146	69.6 Å²	69.6	64%	0.635	37%	0.366	S	S	*	.	S	Bend	trans	-117.5	106.2	160.9	-93.2	-175	176.4	-179.9	0	107.7	S356 N361	S356-K359 PolarHBondContact O-N 2.79Å; K359-N361 PolarHBondContact O-N 3.44Å; K359-N361 VanDerWaalsContact O-N 3.08Å
360	P	34.8	Very low	59.2	Low	115 Å²	115	72 Å²	72	75%	0.747	38%	0.378	S	S	*	.			trans	-57.5	120.5	157.3	24.8	-29	0	0	0	105.8	D362	P360-D362 PolarHBondContact O-N 2.8Å
361	N	37.1	Very low	59.5	Low	59 Å²	59	70.6 Å²	70.6	32%	0.316	37%	0.374	S	S	.	.			trans	-55	135.3	154.3	-79.4	-15.6	0	0	0	105.5	K359 D363 N364 S365	K359-N361 PolarHBondContact O-N 3.44Å; K359-N361 VanDerWaalsContact O-N 3.08Å; N361-D363 PolarHBondContact O-N 3.37Å; N361-N364 PolarHBondContact O-N 3.46Å; N361-S365 VanDerWaalsContact CB-OG 3.28Å; N361-S365 WeakPolarHBondContact CB-OG 3.39Å; N361-S365 PolarHBondContact ND2-OG 2.72Å; N361-S365 VanDerWaalsContact ND2-OG 3.14Å
362	D	37.9	Very low	60	Low	170 Å²	170	71.4 Å²	71.4	91%	0.909	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-14.9	-177.2	-79.1	-43.5	0	0	0	113.6	P360	P360-D362 PolarHBondContact O-N 2.8Å
363	D	39.1	Very low	60.5	Low	142 Å²	142	70.4 Å²	70.4	76%	0.759	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	44.5	-176.2	-79.3	-23.7	0	0	0	115.3	N361 S365	N361-D363 PolarHBondContact O-N 3.37Å; D363-S365 WeakPolarHBondContact O-CA 3.43Å; D363-S365 WeakPolarHBondContact O-CB 3.25Å; D363-S365 PolarHBondContact O-N 2.92Å
364	N	42	Very low	61.5	Low	168 Å²	168	68.5 Å²	68.5	90%	0.898	36%	0.359	S	S	*	.			trans	47	27	170.6	-88.3	-14.8	0	0	0	114.8	N361	N361-N364 PolarHBondContact O-N 3.46Å
365	S	45.9	Very low	62.8	Low	30 Å²	30	63.9 Å²	63.9	21%	0.21	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-95.2	123.5	-157.5	76	0	0	0	0	110.7	N361 D363 Q367	N361-S365 VanDerWaalsContact CB-OG 3.28Å; N361-S365 WeakPolarHBondContact CB-OG 3.39Å; N361-S365 PolarHBondContact ND2-OG 2.72Å; N361-S365 VanDerWaalsContact ND2-OG 3.14Å; D363-S365 WeakPolarHBondContact O-CA 3.43Å; D363-S365 WeakPolarHBondContact O-CB 3.25Å; D363-S365 PolarHBondContact O-N 2.92Å; S365-Q367 PolarHBondContact O-N 3.47Å
366	F	57.4	Low	64.4	Low	100 Å²	100	63.7 Å²	63.7	44%	0.439	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.3	123	174.5	-61.3	-83.5	0	0	0	111	V276 N283 K292	V276-F366 HydrophobicContact CB-CD2 4.09Å; V276-F366 HydrophobicContact CB-CE2 3.89Å; V276-F366 HydrophobicContact CB-CZ 4.15Å; V276-F366 HydrophobicContact CG2-CD2 4.48Å; V276-F366 HydrophobicContact CG2-CE2 3.92Å; V276-F366 HydrophobicContact CG2-CZ 4.29Å; N283-F366 PolarHBondContact ND2-O 2.84Å; N283-F366 PolarHBondContact OD1-O 3.46Å; K292-F366 PolarHBondContact NZ-O 3.48Å
367	Q	75.3	Confident	66.6	Low	33 Å²	33	63.2 Å²	63.2	15%	0.154	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-78	164.1	171.5	-69.5	170.8	-6.5	0	0	110	N278 S356 S365	N278-Q367 PolarHBondContact ND2-O 3Å; S356-Q367 PolarHBondContact O-NE2 3.21Å; S365-Q367 PolarHBondContact O-N 3.47Å
368	L	85.5	Confident	68.7	Low	5 Å²	5	63 Å²	63	3%	0.026	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-60.2	150.8	161.4	-60.7	179.1	0	0	0	108.8	W279 Y287 F348 E351 V352	W279-L368 HydrophobicContact CD2-CD2 4.42Å; W279-L368 HydrophobicContact CE3-CD2 3.87Å; W279-L368 HydrophobicContact CH2-CB 4.25Å; W279-L368 HydrophobicContact CH2-CD1 3.86Å; W279-L368 HydrophobicContact CH2-CD2 3.98Å; W279-L368 HydrophobicContact CH2-CG 4.25Å; W279-L368 HydrophobicContact CZ2-CB 4.31Å; W279-L368 HydrophobicContact CZ2-CD2 4.48Å; W279-L368 HydrophobicContact CZ3-CD1 4.03Å; W279-L368 HydrophobicContact CZ3-CD2 3.62Å; W279-L368 HydrophobicContact CZ3-CG 4.33Å; Y287-L368 HydrophobicContact CD2-CD1 4.43Å; Y287-L368 HydrophobicContact CD2-CD2 3.96Å; Y287-L368 HydrophobicContact CD2-CG 4.03Å; Y287-L368 HydrophobicContact CE2-CD2 3.95Å; Y287-L368 HydrophobicContact CE2-CG 3.76Å; Y287-L368 HydrophobicContact CG-CD1 4.49Å; F348-L368 HydrophobicContact CB-CD1 4.07Å; F348-L368 HydrophobicContact CD1-CD1 3.94Å; F348-L368 HydrophobicContact CD2-CD1 3.76Å; F348-L368 HydrophobicContact CE1-CD1 4.3Å; F348-L368 HydrophobicContact CE2-CD1 4.14Å; F348-L368 HydrophobicContact CG-CD1 3.64Å; F348-L368 HydrophobicContact CZ-CD1 4.39Å; E351-L368 HydrophobicContact CB-CB 4.33Å; E351-L368 HydrophobicContact CB-CD1 4.32Å; E351-L368 HydrophobicContact CG-CB 3.8Å; E351-L368 HydrophobicContact CG-CD1 4.24Å; E351-L368 HydrophobicContact CG-CG 4.08Å; V352-L368 HydrophobicContact CG2-CB 3.88Å
369	G	85.3	Confident	70.9	Confident	11 Å²	11	58.8 Å²	58.8	11%	0.113	32%	0.316	C	S	.	.			trans	-153.8	-166.7	-175.4	0	0	0	0	0	111	W279	W279-G369 PolarHBondContact NE1-O 2.81Å
370	L	87.2	Confident	73.5	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.325	29%	0.286	S	S	.	.			trans	-57	150.9	177.3	-52.3	-179.4	0	0	0	110.5	W269 W279 V352 Q372	W269-L370 HydrophobicContact CB-CD1 3.71Å; W279-L370 PolarHBondContact NE1-O 3.24Å; V352-L370 HydrophobicContact CG1-CD2 4.28Å; L370-Q372 PolarHBondContact O-N 3.35Å
371	G	87	Confident	76	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.021	26%	0.256	C	S	.	.			trans	-68.1	133.8	167.4	0	0	0	0	0	108.8	S154 L155	S154-G371 PolarHBondContact O-N 3.42Å; S154-G371 VanDerWaalsContact O-N 3.08Å; L155-G371 WeakPolarHBondContact CD1-O 3.44Å
372	Q	92.1	Very high	78.4	Confident	22 Å²	22	51.9 Å²	51.9	10%	0.103	27%	0.27	C	S	.	.			trans	-129.7	145.8	178.7	-74.9	174.5	-59.1	0	0	109.6	G268 W269 Q272 N278 L370	G268-Q372 PolarHBondContact O-NE2 3.29Å; W269-Q372 WeakPolarHBondContact O-CG 3.25Å; Q272-Q372 HydrophobicContact CB-CB 4.35Å; N278-Q372 PolarHBondContact OD1-OE1 2.85Å; L370-Q372 PolarHBondContact O-N 3.35Å
373	V	94.7	Very high	80.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.8	169.9	-173.3	0	0	0	0	108.6	L155 F192 N203 I206 L244 I265 A270 Q272 I380	L155-V373 HydrophobicContact CD1-CG2 4.27Å; F192-V373 HydrophobicContact CE1-CG2 4.46Å; N203-V373 WeakPolarHBondContact OD1-CA 3.37Å; N203-V373 VanDerWaalsContact OD1-CG1 3.31Å; N203-V373 WeakPolarHBondContact OD1-CG1 3.12Å; I206-V373 HydrophobicContact CD1-CG2 3.99Å; I206-V373 HydrophobicContact CG1-CG1 4.39Å; I206-V373 HydrophobicContact CG1-CG2 3.94Å; L244-V373 HydrophobicContact CD2-CB 4.42Å; L244-V373 HydrophobicContact CD2-CG1 3.73Å; L244-V373 HydrophobicContact CD2-CG2 4.06Å; I265-V373 HydrophobicContact CD1-CB 4.4Å; I265-V373 HydrophobicContact CD1-CG2 4.4Å; A270-V373 PolarHBondContact O-N 2.97Å; Q272-V373 PolarHBondContact N-O 3.01Å; V373-I380 HydrophobicContact CB-CD1 4.46Å; V373-I380 HydrophobicContact CG1-CD1 3.59Å
374	I	93.1	Very high	82	Confident	21 Å²	21	41.5 Å²	41.5	11%	0.108	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	155.1	175.3	63.5	165	0	0	0	111.5	K201 N203 Q272 P277 D376	K201-I374 WeakPolarHBondContact O-CD1 3.4Å; N203-I374 PolarHBondContact ND2-O 2.9Å; N203-I374 WeakPolarHBondContact OD1-CG1 3.3Å; N203-I374 PolarHBondContact OD1-N 3.15Å; Q272-I374 HydrophobicContact CB-CG2 4.16Å; P277-I374 HydrophobicContact CB-CG2 4.4Å; P277-I374 HydrophobicContact CG-CG2 3.93Å; I374-D376 PolarHBondContact O-N 2.95Å
375	I	91.7	Very high	83.5	Confident	46 Å²	46	38.7 Å²	38.7	24%	0.236	20%	0.2	C	C	.	.			trans	-74	107.8	170.5	-58.5	161.7	0	0	0	108.5	L271 I380 Y382 V384	L271-I375 HydrophobicContact CD1-CG1 4.14Å; I375-I380 HydrophobicContact CB-CG2 4.3Å; I375-I380 HydrophobicContact CG1-CG2 4.01Å; I375-I380 HydrophobicContact CG2-CG2 4.11Å; I375-Y382 HydrophobicContact CG2-CD1 3.93Å; I375-V384 HydrophobicContact CD1-CG2 3.32Å; I375-V384 HydrophobicContact CG1-CG2 3.89Å
376	D	91	Very high	84.7	Confident	4 Å²	4	41 Å²	41	2%	0.021	21%	0.208	C	C	.	.			trans	-108.8	-7.9	-172.8	63.4	5.6	0	0	0	114.6	K201 N203 I374 E378 I379 I380 Y382	K201-D376 HydrophobicContact CD-CB 4.16Å; K201-D376 WeakPolarHBondContact CD-O 3.26Å; K201-D376 PolarHBondContact NZ-O 2.86Å; N203-D376 PolarHBondContact ND2-OD2 3.08Å; I374-D376 PolarHBondContact O-N 2.95Å; D376-E378 PolarHBondContact O-N 3.48Å; D376-E378 PolarHBondContact OD1-N 2.5Å; D376-I379 PolarHBondContact OD1-N 3.1Å; D376-I380 PolarHBondContact OD1-N 2.98Å; D376-Y382 PolarHBondContact O-OH 3.13Å
377	G	89.8	Confident	85.3	Confident	29 Å²	29	36.3 Å²	36.3	30%	0.299	19%	0.188	S	C	.	.	S	Bend	trans	77.7	1.4	-176.2	0	0	0	0	0	114.6	I380	G377-I380 WeakPolarHBondContact CA-O 3.46Å; G377-I380 PolarHBondContact N-O 3.17Å
378	E	91.2	Very high	85	Confident	70 Å²	70	35.1 Å²	35.1	33%	0.327	18%	0.182	S	C	.	.	S	Bend	trans	-120.8	-66.8	-177.7	-71.2	172.8	-115.3	0	0	110.5	K83 K201 W207 V250 D376	K83-E378 IonicContact NZ-OE2 3.97Å; K83-E378 PolarHBondContact NZ-OE2 2.86Å; K201-E378 IonicContact NZ-OE1 3.3Å; K201-E378 PolarHBondContact NZ-OE1 3.17Å; W207-E378 HydrophobicContact CZ2-CB 4.13Å; V250-E378 WeakPolarHBondContact CG2-O 3.28Å; D376-E378 PolarHBondContact O-N 3.48Å; D376-E378 PolarHBondContact OD1-N 2.5Å
379	I	93.2	Very high	84.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-70.2	-43.7	173	-61.1	174.5	0	0	0	109	N203 I206 W207 I210 L244 S248 P249 D376	N203-I379 HydrophobicContact CB-CD1 3.86Å; I206-I379 HydrophobicContact CB-CD1 3.99Å; I206-I379 HydrophobicContact CG2-CD1 3.81Å; I206-I379 HydrophobicContact CG2-CG2 4.03Å; W207-I379 HydrophobicContact CD2-CD1 3.85Å; W207-I379 HydrophobicContact CD2-CG1 4.3Å; W207-I379 VanDerWaalsContact CE2-CD1 3.47Å; W207-I379 HydrophobicContact CG-CD1 3.95Å; W207-I379 HydrophobicContact CH2-CG1 4.17Å; W207-I379 HydrophobicContact CZ2-CD1 3.97Å; W207-I379 HydrophobicContact CZ2-CG1 3.58Å; W207-I379 VanDerWaalsContact NE1-CD1 3.33Å; I210-I379 HydrophobicContact CD1-CD1 3.91Å; I210-I379 HydrophobicContact CD1-CG1 3.9Å; L244-I379 HydrophobicContact CD1-CG2 3.99Å; L244-I379 HydrophobicContact CD2-CG2 3.94Å; L244-I379 HydrophobicContact CG-CG2 4.04Å; S248-I379 WeakPolarHBondContact CB-O 3.39Å; S248-I379 WeakPolarHBondContact OG-CA 3.4Å; S248-I379 PolarHBondContact OG-O 2.8Å; P249-I379 WeakPolarHBondContact CD-O 3.27Å; D376-I379 PolarHBondContact OD1-N 3.1Å
380	I	91.6	Very high	83.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-119.4	113.7	178.3	-61.5	-176.5	0	0	0	108.8	L244 L271 V373 I375 D376 G377 L387	L244-I380 HydrophobicContact CD1-CD1 3.74Å; L244-I380 HydrophobicContact CD1-CG1 3.49Å; L244-I380 VanDerWaalsContact CD1-CG1 3.49Å; L244-I380 HydrophobicContact CD2-CD1 4.4Å; L271-I380 HydrophobicContact CD1-CD1 3.52Å; V373-I380 HydrophobicContact CB-CD1 4.46Å; V373-I380 HydrophobicContact CG1-CD1 3.59Å; I375-I380 HydrophobicContact CB-CG2 4.3Å; I375-I380 HydrophobicContact CG1-CG2 4.01Å; I375-I380 HydrophobicContact CG2-CG2 4.11Å; D376-I380 PolarHBondContact OD1-N 2.98Å; G377-I380 WeakPolarHBondContact CA-O 3.46Å; G377-I380 PolarHBondContact N-O 3.17Å; I380-L387 HydrophobicContact CB-CD2 4.43Å; I380-L387 HydrophobicContact CD1-CD2 4.48Å; I380-L387 HydrophobicContact CG1-CD2 4.12Å; I380-L387 HydrophobicContact CG2-CD2 3.86Å
381	P	88.3	Confident	83.6	Confident	18 Å²	18	40.4 Å²	40.4	12%	0.117	21%	0.212	C	C	.	.			trans	-52.3	145.8	171.9	-25.6	32	0	0	0	112.8	N383 L391	P381-N383 CarbonylContact O-C 3.59Å; P381-N383 PolarHBondContact O-N 3.04Å; P381-L391 HydrophobicContact CG-CD1 3.93Å
382	Y	86.4	Confident	83.5	Confident	156 Å²	156	40.6 Å²	40.6	61%	0.612	21%	0.213	S	C	*	.	S	Bend	trans	-60.6	-30	176.9	-68.4	-63.3	0	0	0	113	I375 D376 V384	I375-Y382 HydrophobicContact CG2-CD1 3.93Å; D376-Y382 PolarHBondContact O-OH 3.13Å; Y382-V384 PolarHBondContact O-N 2.79Å
383	N	81.3	Confident	83.4	Confident	73 Å²	73	42.7 Å²	42.7	39%	0.39	22%	0.219	S	C	.	.			trans	-82	93.2	165.8	-173.4	1.1	0	0	0	109	P381 N385 E386 L387	P381-N383 CarbonylContact O-C 3.59Å; P381-N383 PolarHBondContact O-N 3.04Å; N383-N385 PolarHBondContact O-N 3.47Å; N383-N385 WeakPolarHBondContact OD1-CB 3.44Å; N383-N385 PolarHBondContact OD1-N 3.04Å; N383-N385 VanDerWaalsContact OD1-N 3.13Å; N383-E386 HydrophobicContact CB-CB 3.88Å; N383-E386 WeakPolarHBondContact O-CA 3.37Å; N383-E386 VanDerWaalsContact O-CB 3.23Å; N383-E386 WeakPolarHBondContact O-CB 3.36Å; N383-E386 PolarHBondContact O-N 3.21Å; N383-E386 PolarHBondContact OD1-N 3.24Å; N383-L387 PolarHBondContact O-N 3.37Å
384	V	72.7	Confident	83.4	Confident	21 Å²	21	43 Å²	43	13%	0.127	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-34.2	176.8	-177.9	0	0	0	0	110.9	L271 I375 Y382 E386 L387 L388	L271-V384 HydrophobicContact CD2-CG1 4.23Å; I375-V384 HydrophobicContact CD1-CG2 3.32Å; I375-V384 HydrophobicContact CG1-CG2 3.89Å; Y382-V384 PolarHBondContact O-N 2.79Å; V384-E386 PolarHBondContact O-N 2.9Å; V384-L387 WeakPolarHBondContact O-CB 3.47Å; V384-L387 PolarHBondContact O-N 3.49Å; V384-L388 HydrophobicContact CG1-CD1 3.87Å; V384-L388 HydrophobicContact CG1-CG 4.12Å; V384-L388 WeakPolarHBondContact O-CB 3.28Å; V384-L388 VanDerWaalsContact O-CG 3.22Å; V384-L388 WeakPolarHBondContact O-CG 3.38Å; V384-L388 PolarHBondContact O-N 2.55Å
385	N	72.1	Confident	83.5	Confident	109 Å²	109	43.3 Å²	43.3	58%	0.583	23%	0.225	S	C	*	.	H	α-helix	trans	-63.7	-27.7	176	-62.4	-36.3	0	0	0	112.1	N383 L388 S389	N383-N385 PolarHBondContact O-N 3.47Å; N383-N385 WeakPolarHBondContact OD1-CB 3.44Å; N383-N385 PolarHBondContact OD1-N 3.04Å; N383-N385 VanDerWaalsContact OD1-N 3.13Å; N385-L388 PolarHBondContact O-N 3.14Å; N385-S389 WeakPolarHBondContact O-CA 3.29Å; N385-S389 WeakPolarHBondContact O-CB 3.26Å; N385-S389 PolarHBondContact O-N 3.38Å; N385-S389 PolarHBondContact O-OG 3.2Å
386	E	72.4	Confident	83.8	Confident	80 Å²	80	41.1 Å²	41.1	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-70.6	-43.8	174.4	-174.3	-177.9	179.2	0	0	111.8	N383 V384 L388 S389 N390	N383-E386 HydrophobicContact CB-CB 3.88Å; N383-E386 WeakPolarHBondContact O-CA 3.37Å; N383-E386 VanDerWaalsContact O-CB 3.23Å; N383-E386 WeakPolarHBondContact O-CB 3.36Å; N383-E386 PolarHBondContact O-N 3.21Å; N383-E386 PolarHBondContact OD1-N 3.24Å; V384-E386 PolarHBondContact O-N 2.9Å; E386-L388 PolarHBondContact O-N 2.96Å; E386-S389 PolarHBondContact O-N 3.09Å; E386-N390 HydrophobicContact CG-CB 4.22Å; E386-N390 WeakPolarHBondContact O-CB 3.25Å; E386-N390 PolarHBondContact O-N 3.11Å
387	L	70	Confident	84.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-54.9	-46.7	171.9	-179.6	68.5	0	0	0	110.3	L244 L247 I380 N383 V384 L391	L244-L387 HydrophobicContact CD1-CD2 4.38Å; L247-L387 HydrophobicContact CB-CD1 3.61Å; L247-L387 HydrophobicContact CB-CG 4.2Å; I380-L387 HydrophobicContact CB-CD2 4.43Å; I380-L387 HydrophobicContact CD1-CD2 4.48Å; I380-L387 HydrophobicContact CG1-CD2 4.12Å; I380-L387 HydrophobicContact CG2-CD2 3.86Å; N383-L387 PolarHBondContact O-N 3.37Å; V384-L387 WeakPolarHBondContact O-CB 3.47Å; V384-L387 PolarHBondContact O-N 3.49Å; L387-L391 HydrophobicContact CD1-CD1 3.99Å
388	L	69.2	Low	84.5	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-71.4	-46.7	-175.7	-68.5	-175.3	0	0	0	111.4	T266 V384 N385 E386 L500	T266-L388 HydrophobicContact CG2-CD2 3.71Å; V384-L388 HydrophobicContact CG1-CD1 3.87Å; V384-L388 HydrophobicContact CG1-CG 4.12Å; V384-L388 WeakPolarHBondContact O-CB 3.28Å; V384-L388 VanDerWaalsContact O-CG 3.22Å; V384-L388 WeakPolarHBondContact O-CG 3.38Å; V384-L388 PolarHBondContact O-N 2.55Å; N385-L388 PolarHBondContact O-N 3.14Å; E386-L388 PolarHBondContact O-N 2.96Å; L388-L500 HydrophobicContact CB-CD1 3.42Å; L388-L500 VanDerWaalsContact CB-CD1 3.42Å; L388-L500 HydrophobicContact CB-CD2 3.87Å; L388-L500 HydrophobicContact CB-CG 4.26Å; L388-L500 HydrophobicContact CD1-CD1 4.27Å; L388-L500 HydrophobicContact CD2-CD1 3.56Å; L388-L500 HydrophobicContact CG-CD1 3.89Å; L388-L500 VanDerWaalsContact O-CB 3.26Å; L388-L500 WeakPolarHBondContact O-CB 3.33Å
389	S	71	Confident	84.8	Confident	46 Å²	46	36.3 Å²	36.3	32%	0.322	18%	0.184	S	C	.	.	H	α-helix	trans	-100	-15.8	-169.3	80.9	0	0	0	0	115.7	N385 E386 N504	N385-S389 WeakPolarHBondContact O-CA 3.29Å; N385-S389 WeakPolarHBondContact O-CB 3.26Å; N385-S389 PolarHBondContact O-N 3.38Å; N385-S389 PolarHBondContact O-OG 3.2Å; E386-S389 PolarHBondContact O-N 3.09Å; S389-N504 VanDerWaalsContact C-ND2 3.31Å; S389-N504 VanDerWaalsContact O-CG 3.29Å; S389-N504 PolarHBondContact O-ND2 3.41Å; S389-N504 PolarHBondContact O-OD1 3.24Å; S389-N504 VanDerWaalsContact O-OD1 3.08Å
390	N	73.7	Confident	85.1	Confident	107 Å²	107	36.4 Å²	36.4	57%	0.572	18%	0.184	S	C	*	.	H	α-helix	trans	-124.6	-12	-170.2	-66.8	-9.7	0	0	0	114.2	E386	E386-N390 HydrophobicContact CG-CB 4.22Å; E386-N390 WeakPolarHBondContact O-CB 3.25Å; E386-N390 PolarHBondContact O-N 3.11Å
391	L	82.5	Confident	85.3	Confident	35 Å²	35	36.5 Å²	36.5	18%	0.183	19%	0.185	C	C	.	.			trans	-107.7	-4.2	-172.5	-58.7	-172.2	0	0	0	115.1	L247 P249 P381 L387 R393	L247-L391 VanDerWaalsContact O-CB 3.24Å; L247-L391 WeakPolarHBondContact O-CB 3.25Å; P249-L391 HydrophobicContact CB-CD1 4.41Å; P249-L391 HydrophobicContact CG-CD1 4.32Å; P381-L391 HydrophobicContact CG-CD1 3.93Å; L387-L391 HydrophobicContact CD1-CD1 3.99Å; L391-R393 PolarHBondContact O-N 2.88Å; L391-R393 PolarHBondContact O-NH1 3.47Å
392	S	85.8	Confident	85.7	Confident	6 Å²	6	36.7 Å²	36.7	4%	0.042	19%	0.185	C	C	.	.			trans	-68.1	105.6	174.1	65.9	0	0	0	0	110.3	N504 Q506	S392-N504 WeakPolarHBondContact OG-CB 3.44Å; S392-N504 PolarHBondContact OG-ND2 3.17Å; S392-Q506 VanDerWaalsContact O-CG 3.31Å; S392-Q506 WeakPolarHBondContact O-CG 3.32Å; S392-Q506 PolarHBondContact O-NE2 3.38Å
393	R	90.2	Very high	86.1	Confident	66 Å²	66	29.4 Å²	29.4	25%	0.249	16%	0.157	C	C	.	.			trans	-127.7	-7.4	-167.6	70.1	-173.3	173.6	-96.4	4.9	114.6	A246 L247 S248 T251 L391	A246-R393 PolarHBondContact O-NH1 2.84Å; A246-R393 VanDerWaalsContact O-NH1 3.13Å; A246-R393 PolarHBondContact O-NH2 2.91Å; L247-R393 VanDerWaalsContact C-NH1 3.34Å; L247-R393 PolarHBondContact O-NH1 2.91Å; S248-R393 VanDerWaalsContact O-CZ 3.3Å; S248-R393 PolarHBondContact O-NH1 2.93Å; S248-R393 PolarHBondContact O-NH2 3.22Å; T251-R393 PolarHBondContact O-NH2 2.9Å; T251-R393 PolarHBondContact OG1-NH2 2.85Å; L391-R393 PolarHBondContact O-N 2.88Å; L391-R393 PolarHBondContact O-NH1 3.47Å
394	V	94.3	Very high	86.9	Confident	7 Å²	7	26 Å²	26	4%	0.042	14%	0.138	C	C	.	.	S	Bend	trans	-123	150.7	-177.7	-62.3	0	0	0	0	109.8	A246 V255 H256 Y501	A246-V394 HydrophobicContact CB-CG2 3.87Å; V255-V394 WeakPolarHBondContact O-CG1 3.44Å; H256-V394 WeakPolarHBondContact O-CB 3.37Å; H256-V394 WeakPolarHBondContact O-CG1 3.19Å; V394-Y501 VanDerWaalsContact O-CE1 3.29Å; V394-Y501 WeakPolarHBondContact O-CE1 3.45Å
395	P	96.3	Very high	88	Confident	28 Å²	28	26.8 Å²	26.8	18%	0.182	14%	0.139	C	C	.	.			trans	-67.3	149.4	171.8	31	-37	0	0	0	110.6	R257 A258 S507 F589	R257-P395 HydrophobicContact CB-CG 4.41Å; R257-P395 HydrophobicContact CG-CG 3.87Å; A258-P395 PolarHBondContact N-O 3.4Å; P395-S507 WeakPolarHBondContact CA-O 3.49Å; P395-F589 HydrophobicContact CB-CE2 4.25Å; P395-F589 HydrophobicContact CB-CZ 4.21Å; P395-F589 HydrophobicContact CG-CZ 4.39Å
396	I	97.4	Very high	89	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.1	179	61.8	167.1	0	0	0	112.5	A258 L260 I398 Y501 S507 V508 Y509	A258-I396 HydrophobicContact CB-CG2 4.04Å; A258-I396 CarbonylContact O-C 3.55Å; A258-I396 VanDerWaalsContact O-CA 3.31Å; A258-I396 WeakPolarHBondContact O-CA 3.47Å; L260-I396 HydrophobicContact CD1-CB 4.46Å; L260-I396 HydrophobicContact CD1-CD1 4.28Å; L260-I396 HydrophobicContact CD1-CG2 4.41Å; I396-I398 HydrophobicContact CD1-CB 4.28Å; I396-I398 HydrophobicContact CD1-CD1 4.49Å; I396-I398 HydrophobicContact CD1-CG2 4Å; I396-I398 HydrophobicContact CG1-CG2 4.49Å; I396-Y501 HydrophobicContact CB-CE1 4.31Å; I396-Y501 HydrophobicContact CD1-CD1 3.86Å; I396-Y501 HydrophobicContact CD1-CD2 3.61Å; I396-Y501 HydrophobicContact CD1-CE1 4.05Å; I396-Y501 HydrophobicContact CD1-CE2 3.77Å; I396-Y501 HydrophobicContact CD1-CG 3.65Å; I396-Y501 HydrophobicContact CG1-CD1 3.86Å; I396-Y501 HydrophobicContact CG1-CE1 4.07Å; I396-Y501 HydrophobicContact CG1-CG 4.11Å; I396-Y501 HydrophobicContact CG2-CD1 3.99Å; I396-Y501 HydrophobicContact CG2-CE1 3.32Å; I396-Y501 HydrophobicContact CG2-CE2 4.38Å; I396-S507 PolarHBondContact N-O 2.92Å; I396-V508 HydrophobicContact CD1-CG1 4.29Å; I396-V508 HydrophobicContact CD1-CG2 4.22Å; I396-V508 HydrophobicContact CG1-CB 4.37Å; I396-V508 HydrophobicContact CG1-CG1 4.2Å; I396-V508 HydrophobicContact CG1-CG2 3.99Å; I396-V508 WeakPolarHBondContact O-CA 2.82Å; I396-Y509 PolarHBondContact O-N 3.28Å
397	L	98	Very high	89.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121	162.6	-170	169.7	0	0	0	106.2	A258 I259 L260 Y509 Y511 W582 F589 P595 W605	A258-L397 PolarHBondContact O-N 2.83Å; I259-L397 CarbonylContact C-O 3.54Å; I259-L397 VanDerWaalsContact CA-O 3.3Å; I259-L397 WeakPolarHBondContact CA-O 3.38Å; I259-L397 HydrophobicContact CG1-CB 4.19Å; I259-L397 HydrophobicContact CG2-CD2 4.31Å; L260-L397 PolarHBondContact N-O 3.11Å; L397-Y509 WeakPolarHBondContact CA-O 3.08Å; L397-Y511 HydrophobicContact CD2-CD1 3.46Å; L397-Y511 VanDerWaalsContact CD2-CD1 3.46Å; L397-Y511 HydrophobicContact CD2-CE1 3.5Å; L397-Y511 VanDerWaalsContact CD2-CE1 3.5Å; L397-W582 HydrophobicContact CD2-CH2 3.78Å; L397-W582 HydrophobicContact CD2-CZ3 4.26Å; L397-F589 HydrophobicContact CB-CD1 4.03Å; L397-F589 HydrophobicContact CB-CD2 4.46Å; L397-F589 HydrophobicContact CB-CE1 3.92Å; L397-F589 HydrophobicContact CB-CE2 4.38Å; L397-F589 HydrophobicContact CB-CG 4.29Å; L397-F589 HydrophobicContact CB-CZ 4.11Å; L397-F589 HydrophobicContact CD1-CB 4.18Å; L397-F589 HydrophobicContact CD1-CD1 4.38Å; L397-F589 HydrophobicContact CD1-CG 4.17Å; L397-P595 HydrophobicContact CD1-CG 4.22Å; L397-W605 HydrophobicContact CD1-CH2 3.93Å; L397-W605 HydrophobicContact CD1-CZ3 3.98Å; L397-W605 HydrophobicContact CD2-CH2 3.86Å; L397-W605 HydrophobicContact CG-CH2 3.73Å; L397-W605 HydrophobicContact CG-CZ2 4.47Å; L397-W605 HydrophobicContact CG-CZ3 4.29Å
398	I	97.8	Very high	90.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.6	-171.2	-175.4	169.8	0	0	0	110.8	L260 I396 M494 I498 V508 Y509 L510 Y511	L260-I398 HydrophobicContact CB-CB 4.07Å; L260-I398 HydrophobicContact CB-CD1 4.26Å; L260-I398 HydrophobicContact CB-CG1 3.84Å; L260-I398 HydrophobicContact CD1-CB 4.38Å; L260-I398 HydrophobicContact CD1-CD1 3.92Å; L260-I398 HydrophobicContact CD1-CG1 4.29Å; L260-I398 WeakPolarHBondContact O-CA 3.46Å; I396-I398 HydrophobicContact CD1-CB 4.28Å; I396-I398 HydrophobicContact CD1-CD1 4.49Å; I396-I398 HydrophobicContact CD1-CG2 4Å; I396-I398 HydrophobicContact CG1-CG2 4.49Å; I398-M494 HydrophobicContact CD1-CB 4.36Å; I398-M494 HydrophobicContact CD1-CG 3.5Å; I398-M494 VanDerWaalsContact CD1-CG 3.5Å; I398-M494 HydrophobicContact CG1-CG 3.55Å; I398-M494 HydrophobicContact CG1-SD 4.27Å; I398-I498 HydrophobicContact CD1-CG1 4.32Å; I398-I498 HydrophobicContact CG2-CD1 3.86Å; I398-I498 HydrophobicContact CG2-CG1 3.75Å; I398-V508 HydrophobicContact CG2-CG1 3.82Å; I398-Y509 PolarHBondContact N-O 3.3Å; I398-L510 VanDerWaalsContact O-CA 3.29Å; I398-L510 WeakPolarHBondContact O-CA 3.22Å; I398-Y511 VanDerWaalsContact C-CE1 3.47Å; I398-Y511 VanDerWaalsContact O-CD1 3.23Å; I398-Y511 WeakPolarHBondContact O-CD1 3.47Å; I398-Y511 PolarHBondContact O-N 3.24Å
399	G	97.4	Very high	91.6	Very high	1 Å²	1	24 Å²	24	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	178.9	176.7	0	0	0	0	0	113.9	L260 S262 M494 Y511	L260-G399 PolarHBondContact O-N 3.46Å; L260-G399 VanDerWaalsContact O-N 3.13Å; S262-G399 PolarHBondContact N-O 3.09Å; G399-M494 VanDerWaalsContact CA-SD 3.59Å; G399-Y511 VanDerWaalsContact CA-O 3.22Å; G399-Y511 WeakPolarHBondContact CA-O 3.39Å
400	V	98.1	Very high	92.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.9	-178	-71	0	0	0	0	110.1	E404 F490 M494 F513 W632	V400-E404 VanDerWaalsContact CA-OE1 3.32Å; V400-E404 WeakPolarHBondContact CA-OE1 3.17Å; V400-E404 WeakPolarHBondContact CB-OE1 3.31Å; V400-F490 HydrophobicContact CG1-CB 3.89Å; V400-M494 HydrophobicContact CB-SD 4.41Å; V400-M494 HydrophobicContact CG1-CB 4.39Å; V400-M494 HydrophobicContact CG1-SD 3.78Å; V400-M494 HydrophobicContact CG2-CE 4.22Å; V400-M494 HydrophobicContact CG2-SD 4.06Å; V400-F513 PolarHBondContact O-N 3.02Å; V400-W632 HydrophobicContact CG2-CH2 4.29Å; V400-W632 HydrophobicContact CG2-CZ3 4.02Å
401	A	97.2	Very high	92.7	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	159.8	164.4	0	0	0	0	0	111.2	V403 E404 F513 A549 R631	A401-V403 VanDerWaalsContact C-N 3.33Å; A401-V403 PolarHBondContact O-N 3.2Å; A401-E404 HydrophobicContact CB-CG 4.48Å; A401-E404 PolarHBondContact N-OE1 3.23Å; A401-F513 CarbonylContact C-O 3.49Å; A401-F513 WeakPolarHBondContact CA-O 3.31Å; A401-A549 HydrophobicContact CB-CB 4.46Å; A401-R631 PolarHBondContact O-NH2 2.83Å
402	D	95.6	Very high	92.7	Very high	22 Å²	22	25.9 Å²	25.9	12%	0.118	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-52.6	176.3	178.4	22.5	0	0	0	111.1	F513 E514 R548 A549 R631	D402-F513 PolarHBondContact N-O 3.4Å; D402-E514 HydrophobicContact CB-CB 4.48Å; D402-E514 HydrophobicContact CB-CG 4.11Å; D402-R548 VanDerWaalsContact CG-NH1 3.33Å; D402-R548 IonicContact OD1-CZ 3.03Å; D402-R548 IonicContact OD1-NH1 3.12Å; D402-R548 PolarHBondContact OD1-NH1 3.33Å; D402-R548 WeakPolarHBondContact OD2-CB 3.32Å; D402-R548 WeakPolarHBondContact OD2-CD 3.12Å; D402-R548 VanDerWaalsContact OD2-CG 3.22Å; D402-R548 WeakPolarHBondContact OD2-CG 3.38Å; D402-R548 IonicContact OD2-CZ 3.19Å; D402-R548 IonicContact OD2-NE 2.78Å; D402-R548 PolarHBondContact OD2-NE 3.49Å; D402-R548 IonicContact OD2-NH1 3.76Å; D402-R548 PolarHBondContact OD2-NH1 3.32Å; D402-R548 IonicContact OD2-NH2 2.91Å; D402-A549 HydrophobicContact CB-CB 4.29Å; D402-R631 PolarHBondContact O-NH2 3.04Å
403	V	96.2	Very high	92.7	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	94	174.4	179.8	0	0	0	0	107.6	A401 W405 A406 Q482 R483 R548 A549 F550	A401-V403 VanDerWaalsContact C-N 3.33Å; A401-V403 PolarHBondContact O-N 3.2Å; V403-W405 PolarHBondContact O-N 3.2Å; V403-A406 HydrophobicContact CB-CB 4.02Å; V403-A406 HydrophobicContact CG1-CB 4.07Å; V403-A406 VanDerWaalsContact O-CB 3.29Å; V403-A406 WeakPolarHBondContact O-CB 3.44Å; V403-A406 PolarHBondContact O-N 2.86Å; V403-Q482 HydrophobicContact CG1-CB 3.89Å; V403-R483 HydrophobicContact CG1-CG 4.22Å; V403-R483 HydrophobicContact CG2-CG 3.87Å; V403-R548 HydrophobicContact CB-CB 4.4Å; V403-R548 HydrophobicContact CG2-CB 4.46Å; V403-R548 VanDerWaalsContact CG2-NH1 3.3Å; V403-A549 CarbonylContact C-O 3.6Å; V403-A549 PolarHBondContact N-O 3.39Å; V403-F550 WeakPolarHBondContact O-CA 3.31Å
404	E	96.6	Very high	92.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-44.2	-179.7	-63.6	-72.7	174.8	0	0	112.2	S262 V400 A401 A406 H407 S486 F490 H551	S262-E404 WeakPolarHBondContact CB-OE1 3.36Å; S262-E404 VanDerWaalsContact OG-CD 3.26Å; S262-E404 PolarHBondContact OG-OE1 3.04Å; S262-E404 PolarHBondContact OG-OE2 3.36Å; V400-E404 VanDerWaalsContact CA-OE1 3.32Å; V400-E404 WeakPolarHBondContact CA-OE1 3.17Å; V400-E404 WeakPolarHBondContact CB-OE1 3.31Å; A401-E404 HydrophobicContact CB-CG 4.48Å; A401-E404 PolarHBondContact N-OE1 3.23Å; E404-A406 PolarHBondContact O-N 2.97Å; E404-H407 PolarHBondContact O-CE1 2.59Å; E404-H407 VanDerWaalsContact O-CE1 3.3Å; E404-H407 PolarHBondContact O-ND1 2.75Å; E404-H407 VanDerWaalsContact O-ND1 3.16Å; E404-S486 PolarHBondContact N-OG 2.87Å; E404-F490 HydrophobicContact CB-CD2 3.67Å; E404-F490 HydrophobicContact CB-CE2 3.92Å; E404-F490 HydrophobicContact CB-CG 4.28Å; E404-F490 HydrophobicContact CG-CB 3.8Å; E404-F490 HydrophobicContact CG-CD1 4.41Å; E404-F490 HydrophobicContact CG-CD2 3.56Å; E404-F490 HydrophobicContact CG-CE2 4.22Å; E404-F490 HydrophobicContact CG-CG 3.66Å; E404-H551 HydrophobicContact CB-CB 4.41Å; E404-H551 VanDerWaalsContact O-CB 3.3Å; E404-H551 WeakPolarHBondContact O-CB 3.42Å; E404-H551 PolarHBondContact O-N 3.21Å; E404-H551 WeakPolarHBondContact OE2-CA 3.36Å; E404-H551 WeakPolarHBondContact OE2-CB 3.49Å; E404-H551 IonicContact OE2-CE1 3.49Å; E404-H551 IonicContact OE2-CG 3.77Å; E404-H551 IonicContact OE2-ND1 3.61Å; E404-H551 PolarHBondContact OE2-ND1 3Å
405	W	95.4	Very high	91.6	Very high	39 Å²	39	25.4 Å²	25.4	15%	0.148	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	18.5	-179.9	-64.1	132	0	0	0	116	V403 H407 K408 Q482 S486 E489 F490	V403-W405 PolarHBondContact O-N 3.2Å; W405-H407 AromaticContact CE3-CE1 3.26Å; W405-H407 AromaticContact CE3-NE2 3.54Å; W405-H407 AromaticContact CZ3-CE1 3.5Å; W405-H407 VanDerWaalsContact CZ3-CE1 3.5Å; W405-H407 WeakPolarHBondContact CZ3-CE1 3.49Å; W405-H407 AromaticContact CZ3-NE2 3.57Å; W405-H407 PolarHBondContact O-N 3.23Å; W405-K408 HydrophobicContact CB-CB 4.4Å; W405-K408 HydrophobicContact CB-CD 3.88Å; W405-K408 HydrophobicContact CB-CG 4.08Å; W405-K408 HydrophobicContact CD2-CD 3.85Å; W405-K408 HydrophobicContact CD2-CG 4.29Å; W405-K408 VanDerWaalsContact CD2-NZ 3.27Å; W405-K408 HydrophobicContact CE3-CD 3.9Å; W405-K408 HydrophobicContact CE3-CG 3.91Å; W405-K408 HydrophobicContact CG-CD 3.82Å; W405-K408 HydrophobicContact CG-CG 4.37Å; W405-K408 WeakPolarHBondContact O-CB 3.43Å; W405-K408 PolarHBondContact O-N 2.89Å; W405-Q482 HydrophobicContact CB-CB 4.42Å; W405-Q482 VanDerWaalsContact O-CG 3.3Å; W405-Q482 WeakPolarHBondContact O-CG 3.42Å; W405-S486 PolarHBondContact N-OG 3.01Å; W405-E489 VanDerWaalsContact CE2-OE2 3.31Å; W405-E489 WeakPolarHBondContact CZ2-OE2 3.36Å; W405-E489 PolarHBondContact NE1-OE2 2.9Å; W405-F490 AromaticContact CE2-CE2 3.72Å; W405-F490 HydrophobicContact CH2-CZ 4.48Å; W405-F490 AromaticContact CZ2-CE2 3.67Å; W405-F490 HydrophobicContact CZ2-CE2 3.67Å; W405-F490 AromaticContact CZ2-CZ 3.89Å; W405-F490 HydrophobicContact CZ2-CZ 3.89Å; W405-F490 AromaticContact NE1-CE2 3.7Å
406	A	94.6	Very high	90.4	Very high	13 Å²	13	31.2 Å²	31.2	11%	0.107	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.7	-178.6	0	0	0	0	0	113.6	V403 E404 Q482 I546 R548 F550	V403-A406 HydrophobicContact CB-CB 4.02Å; V403-A406 HydrophobicContact CG1-CB 4.07Å; V403-A406 VanDerWaalsContact O-CB 3.29Å; V403-A406 WeakPolarHBondContact O-CB 3.44Å; V403-A406 PolarHBondContact O-N 2.86Å; E404-A406 PolarHBondContact O-N 2.97Å; A406-Q482 PolarHBondContact O-NE2 2.86Å; A406-I546 HydrophobicContact CB-CG2 4.44Å; A406-R548 HydrophobicContact CB-CB 4.07Å; A406-F550 HydrophobicContact CB-CB 4.07Å
407	H	90.5	Very high	88.8	Confident	48 Å²	48	35 Å²	35	22%	0.222	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17	174.9	66.4	-85.8	0	0	0	113.8	E404 W405 K409 I546 F550	E404-H407 PolarHBondContact O-CE1 2.59Å; E404-H407 VanDerWaalsContact O-CE1 3.3Å; E404-H407 PolarHBondContact O-ND1 2.75Å; E404-H407 VanDerWaalsContact O-ND1 3.16Å; W405-H407 AromaticContact CE3-CE1 3.26Å; W405-H407 AromaticContact CE3-NE2 3.54Å; W405-H407 AromaticContact CZ3-CE1 3.5Å; W405-H407 VanDerWaalsContact CZ3-CE1 3.5Å; W405-H407 WeakPolarHBondContact CZ3-CE1 3.49Å; W405-H407 AromaticContact CZ3-NE2 3.57Å; W405-H407 PolarHBondContact O-N 3.23Å; H407-K409 PolarHBondContact O-N 3.41Å; H407-I546 HydrophobicContact CB-CD1 3.87Å; H407-F550 HydrophobicContact CB-CB 4.32Å; H407-F550 HydrophobicContact CB-CD2 3.96Å; H407-F550 HydrophobicContact CB-CE2 4.46Å; H407-F550 HydrophobicContact CB-CG 4.06Å; H407-F550 AromaticContact CG-CD2 3.94Å; H407-F550 AromaticContact ND1-CD2 3.58Å; H407-F550 AromaticContact ND1-CG 3.92Å
408	K	89.7	Confident	87	Confident	28 Å²	28	46.5 Å²	46.5	12%	0.122	24%	0.235	C	C	.	.			trans	-66.2	120.8	177.3	-77.1	-172.7	175.4	157.8	0	110.8	W405 F412 Y413 Q482 E485	W405-K408 HydrophobicContact CB-CB 4.4Å; W405-K408 HydrophobicContact CB-CD 3.88Å; W405-K408 HydrophobicContact CB-CG 4.08Å; W405-K408 HydrophobicContact CD2-CD 3.85Å; W405-K408 HydrophobicContact CD2-CG 4.29Å; W405-K408 VanDerWaalsContact CD2-NZ 3.27Å; W405-K408 HydrophobicContact CE3-CD 3.9Å; W405-K408 HydrophobicContact CE3-CG 3.91Å; W405-K408 HydrophobicContact CG-CD 3.82Å; W405-K408 HydrophobicContact CG-CG 4.37Å; W405-K408 WeakPolarHBondContact O-CB 3.43Å; W405-K408 PolarHBondContact O-N 2.89Å; K408-F412 HydrophobicContact CB-CB 4.34Å; K408-F412 HydrophobicContact CB-CD2 4.41Å; K408-F412 HydrophobicContact CB-CG 4.5Å; K408-F412 HydrophobicContact CD-CB 4.5Å; K408-F412 HydrophobicContact CG-CB 4.37Å; K408-F412 HydrophobicContact CG-CG 4.43Å; K408-Y413 HydrophobicContact CB-CE2 4.07Å; K408-Q482 PolarHBondContact O-NE2 3.44Å; K408-E485 IonicContact NZ-OE1 2.7Å; K408-E485 PolarHBondContact NZ-OE1 2Å; K408-E485 IonicContact NZ-OE2 3.67Å; K408-E485 PolarHBondContact NZ-OE2 2.74Å
409	K	85.7	Confident	85.5	Confident	51 Å²	51	49.2 Å²	49.2	22%	0.222	25%	0.252	C	S	.	.			trans	-80.2	165.3	173.4	-54.4	165.8	-167.9	159.9	0	111.4	H407 V411 F412 E523 E525	H407-K409 PolarHBondContact O-N 3.41Å; K409-V411 HydrophobicContact CB-CG1 4.1Å; K409-V411 PolarHBondContact O-N 2.84Å; K409-V411 VanDerWaalsContact O-N 3.1Å; K409-F412 HydrophobicContact CB-CD2 3.79Å; K409-F412 HydrophobicContact CB-CE2 3.92Å; K409-F412 HydrophobicContact CD-CE2 4.08Å; K409-F412 HydrophobicContact CG-CD2 4.36Å; K409-F412 HydrophobicContact CG-CE2 4Å; K409-F412 WeakPolarHBondContact O-CB 3.45Å; K409-F412 WeakPolarHBondContact O-CD2 3.42Å; K409-F412 PolarHBondContact O-N 3.32Å; K409-E523 VanDerWaalsContact CE-OE2 3.28Å; K409-E523 WeakPolarHBondContact CE-OE2 3.49Å; K409-E523 IonicContact NZ-OE1 3.8Å; K409-E523 PolarHBondContact NZ-OE1 2.97Å; K409-E523 IonicContact NZ-OE2 2.62Å; K409-E523 PolarHBondContact NZ-OE2 3.24Å; K409-E525 IonicContact NZ-OE1 2.61Å; K409-E525 PolarHBondContact NZ-OE1 2.55Å
410	A	86.1	Confident	84.5	Confident	28 Å²	28	54.1 Å²	54.1	23%	0.231	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-53.8	-33.4	176.3	0	0	0	0	0	113.6	F412 Y413 G414 F415 M474 V478	A410-F412 VanDerWaalsContact C-N 3.27Å; A410-F412 PolarHBondContact O-N 3.23Å; A410-Y413 PolarHBondContact O-N 2.8Å; A410-G414 PolarHBondContact O-N 3.15Å; A410-F415 HydrophobicContact CB-CB 3.89Å; A410-F415 HydrophobicContact CB-CD2 4.09Å; A410-F415 HydrophobicContact CB-CG 4.43Å; A410-F415 WeakPolarHBondContact O-CB 3.45Å; A410-F415 VanDerWaalsContact O-CD2 3.29Å; A410-F415 WeakPolarHBondContact O-CD2 3.31Å; A410-F415 PolarHBondContact O-N 3.24Å; A410-F415 VanDerWaalsContact O-N 3.08Å; A410-M474 HydrophobicContact CB-SD 4.28Å; A410-V478 HydrophobicContact CB-CG2 3.82Å
411	V	82.5	Confident	83.8	Confident	84 Å²	84	54.5 Å²	54.5	51%	0.509	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-61.9	-31.2	177.9	68.4	0	0	0	0	113.2	K409 Y413 G414 F415	K409-V411 HydrophobicContact CB-CG1 4.1Å; K409-V411 PolarHBondContact O-N 2.84Å; K409-V411 VanDerWaalsContact O-N 3.1Å; V411-Y413 PolarHBondContact O-N 3.37Å; V411-G414 WeakPolarHBondContact O-CA 3.3Å; V411-G414 PolarHBondContact O-N 2.9Å; V411-F415 WeakPolarHBondContact CA-O 3.43Å
412	F	81.8	Confident	83.3	Confident	115 Å²	115	57.8 Å²	57.8	50%	0.504	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-68.1	-22.9	176.2	-65.6	-87.5	0	0	0	112.1	K408 K409 A410 G414	K408-F412 HydrophobicContact CB-CB 4.34Å; K408-F412 HydrophobicContact CB-CD2 4.41Å; K408-F412 HydrophobicContact CB-CG 4.5Å; K408-F412 HydrophobicContact CD-CB 4.5Å; K408-F412 HydrophobicContact CG-CB 4.37Å; K408-F412 HydrophobicContact CG-CG 4.43Å; K409-F412 HydrophobicContact CB-CD2 3.79Å; K409-F412 HydrophobicContact CB-CE2 3.92Å; K409-F412 HydrophobicContact CD-CE2 4.08Å; K409-F412 HydrophobicContact CG-CD2 4.36Å; K409-F412 HydrophobicContact CG-CE2 4Å; K409-F412 WeakPolarHBondContact O-CB 3.45Å; K409-F412 WeakPolarHBondContact O-CD2 3.42Å; K409-F412 PolarHBondContact O-N 3.32Å; A410-F412 VanDerWaalsContact C-N 3.27Å; A410-F412 PolarHBondContact O-N 3.23Å; F412-G414 VanDerWaalsContact C-N 3.31Å
413	Y	85.3	Confident	82.8	Confident	12 Å²	12	62 Å²	62	5%	0.047	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-91.9	8.5	171.7	-59.9	-66.8	0	0	0	112.8	K408 A410 V411 K429 I433 V478 L481 Q482 E485	K408-Y413 HydrophobicContact CB-CE2 4.07Å; A410-Y413 PolarHBondContact O-N 2.8Å; V411-Y413 PolarHBondContact O-N 3.37Å; Y413-K429 VanDerWaalsContact O-CE 3.32Å; Y413-K429 WeakPolarHBondContact O-CE 3.38Å; Y413-K429 PolarHBondContact O-NZ 3.46Å; Y413-I433 HydrophobicContact CD1-CD1 4.11Å; Y413-I433 HydrophobicContact CE1-CD1 3.89Å; Y413-V478 HydrophobicContact CD2-CG1 4.15Å; Y413-V478 HydrophobicContact CE2-CG1 4.02Å; Y413-L481 HydrophobicContact CD1-CB 4.36Å; Y413-L481 HydrophobicContact CD1-CD1 3.86Å; Y413-L481 HydrophobicContact CD2-CD1 4.32Å; Y413-L481 HydrophobicContact CE1-CB 4.01Å; Y413-L481 HydrophobicContact CE1-CD1 4.34Å; Y413-L481 HydrophobicContact CE2-CB 4.24Å; Y413-L481 HydrophobicContact CG-CD1 3.86Å; Y413-Q482 HydrophobicContact CE2-CG 4.18Å; Y413-Q482 WeakPolarHBondContact OH-CA 3.32Å; Y413-E485 VanDerWaalsContact CE1-OE2 3.24Å; Y413-E485 WeakPolarHBondContact CE1-OE2 3.19Å; Y413-E485 PolarHBondContact OH-OE2 3.47Å
414	G	79.2	Confident	82.4	Confident	41 Å²	41	67.7 Å²	67.7	42%	0.423	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	15.2	178.2	0	0	0	0	0	115	A410 V411 F412 K416	A410-G414 PolarHBondContact O-N 3.15Å; V411-G414 WeakPolarHBondContact O-CA 3.3Å; V411-G414 PolarHBondContact O-N 2.9Å; F412-G414 VanDerWaalsContact C-N 3.31Å; G414-K416 PolarHBondContact O-N 3.35Å
415	F	82.2	Confident	82	Confident	15 Å²	15	69.7 Å²	69.7	7%	0.066	36%	0.361	C	S	.	.			trans	-88.7	99.3	175.2	-58.5	-67.5	0	0	0	110.6	A410 V411 I425 K429 M474 F477	A410-F415 HydrophobicContact CB-CB 3.89Å; A410-F415 HydrophobicContact CB-CD2 4.09Å; A410-F415 HydrophobicContact CB-CG 4.43Å; A410-F415 WeakPolarHBondContact O-CB 3.45Å; A410-F415 VanDerWaalsContact O-CD2 3.29Å; A410-F415 WeakPolarHBondContact O-CD2 3.31Å; A410-F415 PolarHBondContact O-N 3.24Å; A410-F415 VanDerWaalsContact O-N 3.08Å; V411-F415 WeakPolarHBondContact CA-O 3.43Å; F415-I425 HydrophobicContact CE1-CG2 3.87Å; F415-I425 HydrophobicContact CZ-CG2 4.33Å; F415-K429 HydrophobicContact CE1-CG 4.45Å; F415-K429 HydrophobicContact CE2-CG 4.4Å; F415-K429 HydrophobicContact CZ-CD 4.46Å; F415-K429 HydrophobicContact CZ-CG 3.77Å; F415-M474 HydrophobicContact CB-CE 4.32Å; F415-M474 HydrophobicContact CB-SD 4.42Å; F415-M474 HydrophobicContact CD1-CE 3.74Å; F415-M474 HydrophobicContact CD1-SD 4.29Å; F415-M474 HydrophobicContact CD2-CE 4.39Å; F415-M474 HydrophobicContact CD2-SD 3.86Å; F415-M474 HydrophobicContact CE1-CE 4.09Å; F415-M474 HydrophobicContact CE2-SD 4.14Å; F415-M474 HydrophobicContact CG-CE 3.9Å; F415-M474 HydrophobicContact CG-SD 3.94Å; F415-M474 HydrophobicContact CZ-SD 4.46Å; F415-F477 HydrophobicContact CE2-CD1 4.28Å; F415-F477 HydrophobicContact CE2-CE1 4.13Å; F415-F477 HydrophobicContact CZ-CD1 4.19Å; F415-F477 AromaticContact CZ-CE1 3.85Å; F415-F477 HydrophobicContact CZ-CE1 3.85Å
416	K	70.8	Confident	81.7	Confident	151 Å²	151	67.9 Å²	67.9	66%	0.657	35%	0.354	S	S	*	.			trans	-84.1	-22.9	179.1	-65.3	-170	178.9	-170.1	0	114.2	E297 G414	E297-K416 IonicContact OE1-NZ 3.67Å; E297-K416 PolarHBondContact OE1-NZ 3.08Å; E297-K416 IonicContact OE2-NZ 2.98Å; E297-K416 PolarHBondContact OE2-NZ 2.87Å; G414-K416 PolarHBondContact O-N 3.35Å
417	S	63.7	Low	81.5	Confident	78 Å²	78	68 Å²	68	55%	0.545	35%	0.353	S	S	.	.	S	Bend	trans	-135.9	173.5	-178.9	66.9	0	0	0	0	111.3	T419	S417-T419 PolarHBondContact O-N 3.4Å; S417-T419 WeakPolarHBondContact OG-CG2 3.24Å
418	Y	60.4	Low	81.4	Confident	243 Å²	243	70.2 Å²	70.2	95%	0.953	36%	0.363	S	S	*	.			trans	-67.9	66.7	167.9	-63.6	-80.8	0	0	0	110.3
419	T	67.3	Low	81.4	Confident	58 Å²	58	70.1 Å²	70.1	36%	0.356	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-73	129.4	168.2	50.9	0	0	0	0	108.5	S417 I421 M474	S417-T419 PolarHBondContact O-N 3.4Å; S417-T419 WeakPolarHBondContact OG-CG2 3.24Å; T419-I421 PolarHBondContact O-N 3.47Å; T419-M474 WeakPolarHBondContact O-CE 3.21Å
420	S	76	Confident	81.6	Confident	104 Å²	104	67.7 Å²	67.7	73%	0.727	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.3	133.2	166.4	48	0	0	0	0	109.2
421	I	83.8	Confident	81.8	Confident	8 Å²	8	68.7 Å²	68.7	4%	0.041	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-80.9	141.4	175.7	-53.9	-171.9	0	0	0	108.1	T419 A426 W472 M474 F477	T419-I421 PolarHBondContact O-N 3.47Å; I421-A426 HydrophobicContact CG2-CB 4.14Å; I421-W472 HydrophobicContact CB-CB 4.39Å; I421-W472 HydrophobicContact CB-CE3 4.17Å; I421-W472 HydrophobicContact CG2-CD2 4.47Å; I421-W472 HydrophobicContact CG2-CE3 3.49Å; I421-W472 VanDerWaalsContact CG2-CE3 3.49Å; I421-W472 HydrophobicContact CG2-CZ3 4Å; I421-W472 VanDerWaalsContact O-CB 3.25Å; I421-W472 WeakPolarHBondContact O-CB 3.48Å; I421-M474 HydrophobicContact CD1-CB 4.19Å; I421-M474 HydrophobicContact CD1-CE 3.79Å; I421-M474 HydrophobicContact CD1-SD 3.65Å; I421-M474 HydrophobicContact CG1-CE 3.56Å; I421-M474 HydrophobicContact CG1-SD 4.13Å; I421-F477 HydrophobicContact CD1-CB 3.39Å; I421-F477 HydrophobicContact CD1-CD1 3.31Å; I421-F477 HydrophobicContact CD1-CE1 4.23Å; I421-F477 HydrophobicContact CD1-CG 3.48Å; I421-F477 VanDerWaalsContact CD1-CG 3.48Å; I421-F477 HydrophobicContact CG2-CD1 4.44Å; I421-F477 HydrophobicContact CG2-CG 4.38Å
422	N	85.8	Confident	82	Confident	72 Å²	72	66.3 Å²	66.3	39%	0.385	34%	0.336	S	S	.	.			trans	-131	173.8	166	62.9	40.3	0	0	0	108.9	Q424 I425 A426	N422-Q424 VanDerWaalsContact C-N 3.27Å; N422-Q424 PolarHBondContact O-N 3.44Å; N422-Q424 WeakPolarHBondContact OD1-CB 3.29Å; N422-Q424 PolarHBondContact OD1-N 2.87Å; N422-Q424 VanDerWaalsContact OD1-N 3.12Å; N422-I425 PolarHBondContact O-N 3.17Å; N422-I425 WeakPolarHBondContact OD1-CG1 3.37Å; N422-I425 PolarHBondContact OD1-N 3.23Å; N422-A426 WeakPolarHBondContact O-CB 3.48Å; N422-A426 PolarHBondContact O-N 2.79Å
423	E	85.1	Confident	82.3	Confident	111 Å²	111	61 Å²	61	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-56	-40.8	-178.7	-166.3	176.9	173.8	0	0	113.7	A426 L427 W472	E423-A426 PolarHBondContact O-N 3.1Å; E423-L427 WeakPolarHBondContact O-CB 3.43Å; E423-L427 PolarHBondContact O-N 2.76Å; E423-W472 VanDerWaalsContact CA-CZ2 3.43Å; E423-W472 HydrophobicContact CB-CH2 3.73Å; E423-W472 HydrophobicContact CB-CZ2 3.53Å; E423-W472 HydrophobicContact CG-CH2 4.09Å; E423-W472 HydrophobicContact CG-CZ2 4.13Å; E423-W472 VanDerWaalsContact N-CZ2 3.33Å
424	Q	87.6	Confident	82.6	Confident	121 Å²	121	60.5 Å²	60.5	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-65.4	-47.1	-178.6	-177.3	60.6	28	0	0	111.6	N422 A426 L427 E428	N422-Q424 VanDerWaalsContact C-N 3.27Å; N422-Q424 PolarHBondContact O-N 3.44Å; N422-Q424 WeakPolarHBondContact OD1-CB 3.29Å; N422-Q424 PolarHBondContact OD1-N 2.87Å; N422-Q424 VanDerWaalsContact OD1-N 3.12Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-L427 PolarHBondContact O-N 3.17Å; Q424-E428 WeakPolarHBondContact O-CB 3.41Å; Q424-E428 PolarHBondContact O-N 2.92Å
425	I	88.1	Confident	82.9	Confident	44 Å²	44	62.4 Å²	62.4	23%	0.226	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-42.6	177	-66.1	169	0	0	0	109.9	F415 N422 E428 K429	F415-I425 HydrophobicContact CE1-CG2 3.87Å; F415-I425 HydrophobicContact CZ-CG2 4.33Å; N422-I425 PolarHBondContact O-N 3.17Å; N422-I425 WeakPolarHBondContact OD1-CG1 3.37Å; N422-I425 PolarHBondContact OD1-N 3.23Å; I425-E428 PolarHBondContact O-N 3.08Å; I425-K429 HydrophobicContact CG2-CG 4.48Å; I425-K429 WeakPolarHBondContact O-CG 3.3Å; I425-K429 PolarHBondContact O-N 2.69Å
426	A	89.1	Confident	82.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-46.8	179.1	0	0	0	0	0	112	I421 N422 E423 Q424 E428 K429 A430 L459 W472 F477	I421-A426 HydrophobicContact CG2-CB 4.14Å; N422-A426 WeakPolarHBondContact O-CB 3.48Å; N422-A426 PolarHBondContact O-N 2.79Å; E423-A426 PolarHBondContact O-N 3.1Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; A426-E428 VanDerWaalsContact C-N 3.35Å; A426-K429 PolarHBondContact O-N 3.19Å; A426-A430 WeakPolarHBondContact O-CB 3.35Å; A426-A430 PolarHBondContact O-N 2.81Å; A426-L459 HydrophobicContact CB-CD1 4.28Å; A426-W472 HydrophobicContact CB-CE3 4.43Å; A426-W472 HydrophobicContact CB-CH2 4.04Å; A426-W472 HydrophobicContact CB-CZ3 3.45Å; A426-W472 VanDerWaalsContact CB-CZ3 3.45Å; A426-F477 VanDerWaalsContact CA-CZ 3.46Å; A426-F477 HydrophobicContact CB-CD2 4.24Å; A426-F477 HydrophobicContact CB-CE2 3.43Å; A426-F477 VanDerWaalsContact CB-CE2 3.43Å; A426-F477 HydrophobicContact CB-CZ 3.65Å
427	L	90.2	Very high	83.7	Confident	17 Å²	17	58 Å²	58	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-41.6	176.9	-176.1	59.4	0	0	0	112.1	E423 Q424 A430 Q431 K452 A455 L456 L459	E423-L427 WeakPolarHBondContact O-CB 3.43Å; E423-L427 PolarHBondContact O-N 2.76Å; Q424-L427 PolarHBondContact O-N 3.17Å; L427-A430 PolarHBondContact O-N 3.48Å; L427-Q431 VanDerWaalsContact O-CB 3.22Å; L427-Q431 WeakPolarHBondContact O-CB 3.43Å; L427-Q431 PolarHBondContact O-N 2.81Å; L427-K452 HydrophobicContact CD1-CG 4.47Å; L427-K452 HydrophobicContact CD2-CD 4.44Å; L427-K452 VanDerWaalsContact CD2-CE 3.44Å; L427-K452 HydrophobicContact CD2-CG 4.11Å; L427-K452 HydrophobicContact CG-CG 4.44Å; L427-A455 HydrophobicContact CD1-CB 3.92Å; L427-L456 HydrophobicContact CD1-CB 3.96Å; L427-L456 HydrophobicContact CD1-CD1 4.33Å; L427-L459 HydrophobicContact CB-CD1 4.21Å; L427-L459 HydrophobicContact CD1-CD1 4.17Å
428	E	89.3	Confident	84.9	Confident	94 Å²	94	54.3 Å²	54.3	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-51.9	175.1	-170.2	-171.2	145.3	0	0	111	Q424 I425 A426 A430 Q431 M432	Q424-E428 WeakPolarHBondContact O-CB 3.41Å; Q424-E428 PolarHBondContact O-N 2.92Å; I425-E428 PolarHBondContact O-N 3.08Å; A426-E428 VanDerWaalsContact C-N 3.35Å; E428-A430 PolarHBondContact O-N 2.81Å; E428-Q431 PolarHBondContact O-N 2.89Å; E428-M432 HydrophobicContact CG-SD 3.89Å; E428-M432 WeakPolarHBondContact O-CG 3.35Å; E428-M432 PolarHBondContact O-N 2.71Å
429	K	89.1	Confident	85.9	Confident	26 Å²	26	43.3 Å²	43.3	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-39.9	179.5	-62.9	-49	179.8	-178.9	0	113.1	Y413 F415 I425 A426 M432 I433 F477 L481	Y413-K429 VanDerWaalsContact O-CE 3.32Å; Y413-K429 WeakPolarHBondContact O-CE 3.38Å; Y413-K429 PolarHBondContact O-NZ 3.46Å; F415-K429 HydrophobicContact CE1-CG 4.45Å; F415-K429 HydrophobicContact CE2-CG 4.4Å; F415-K429 HydrophobicContact CZ-CD 4.46Å; F415-K429 HydrophobicContact CZ-CG 3.77Å; I425-K429 HydrophobicContact CG2-CG 4.48Å; I425-K429 WeakPolarHBondContact O-CG 3.3Å; I425-K429 PolarHBondContact O-N 2.69Å; A426-K429 PolarHBondContact O-N 3.19Å; K429-M432 HydrophobicContact CD-CE 3.89Å; K429-M432 HydrophobicContact CD-SD 4.1Å; K429-M432 PolarHBondContact O-N 3.17Å; K429-I433 PolarHBondContact O-N 3.49Å; K429-I433 VanDerWaalsContact O-N 3.16Å; K429-F477 HydrophobicContact CB-CE1 4.34Å; K429-F477 HydrophobicContact CB-CZ 4.27Å; K429-L481 HydrophobicContact CB-CD1 4.15Å
430	A	91.3	Very high	86.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-41.5	176.5	0	0	0	0	0	112.4	A426 L427 E428 M432 I433 V434 A455 L459 M484	A426-A430 WeakPolarHBondContact O-CB 3.35Å; A426-A430 PolarHBondContact O-N 2.81Å; L427-A430 PolarHBondContact O-N 3.48Å; E428-A430 PolarHBondContact O-N 2.81Å; A430-M432 PolarHBondContact O-N 3.19Å; A430-I433 PolarHBondContact O-N 3.39Å; A430-V434 WeakPolarHBondContact O-CG2 3.2Å; A430-V434 PolarHBondContact O-N 2.82Å; A430-A455 HydrophobicContact CB-CB 4.21Å; A430-L459 HydrophobicContact CB-CD1 3.7Å; A430-L459 HydrophobicContact CB-CD2 3.62Å; A430-L459 HydrophobicContact CB-CG 3.41Å; A430-L459 VanDerWaalsContact CB-CG 3.41Å; A430-M484 HydrophobicContact CB-CE 4.18Å
431	Q	90.2	Very high	87	Confident	49 Å²	49	37.8 Å²	37.8	23%	0.229	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-36.4	176.7	-176.7	178.7	-13.8	0	0	111.3	L427 E428 V434 Q435 A455	L427-Q431 VanDerWaalsContact O-CB 3.22Å; L427-Q431 WeakPolarHBondContact O-CB 3.43Å; L427-Q431 PolarHBondContact O-N 2.81Å; E428-Q431 PolarHBondContact O-N 2.89Å; Q431-V434 PolarHBondContact O-N 2.95Å; Q431-Q435 VanDerWaalsContact O-CB 3.3Å; Q431-Q435 WeakPolarHBondContact O-CB 3.5Å; Q431-Q435 PolarHBondContact O-N 2.75Å; Q431-A455 VanDerWaalsContact CA-CB 3.43Å; Q431-A455 HydrophobicContact CB-CB 3.76Å; Q431-A455 HydrophobicContact CG-CB 4.45Å
432	M	85.2	Confident	87	Confident	33 Å²	33	38.8 Å²	38.8	16%	0.163	19%	0.188	C	C	.	.	H	α-helix	trans	-67.6	-44.7	176.3	-68.1	155.2	41.7	0	0	112.6	F358 E428 K429 A430 V434 Q435 Q436	F358-M432 HydrophobicContact CD1-CE 2.95Å; F358-M432 HydrophobicContact CD1-SD 4.27Å; F358-M432 HydrophobicContact CE1-CE 2.91Å; F358-M432 HydrophobicContact CG-CE 4.07Å; F358-M432 HydrophobicContact CZ-CE 4.02Å; E428-M432 HydrophobicContact CG-SD 3.89Å; E428-M432 WeakPolarHBondContact O-CG 3.35Å; E428-M432 PolarHBondContact O-N 2.71Å; K429-M432 HydrophobicContact CD-CE 3.89Å; K429-M432 HydrophobicContact CD-SD 4.1Å; K429-M432 PolarHBondContact O-N 3.17Å; A430-M432 PolarHBondContact O-N 3.19Å; M432-V434 VanDerWaalsContact C-N 3.32Å; M432-V434 PolarHBondContact O-N 3.46Å; M432-Q435 WeakPolarHBondContact O-CB 3.2Å; M432-Q435 PolarHBondContact O-N 3.47Å; M432-Q436 WeakPolarHBondContact O-CB 3.16Å; M432-Q436 VanDerWaalsContact O-CG 3.26Å; M432-Q436 WeakPolarHBondContact O-CG 3.43Å; M432-Q436 PolarHBondContact O-N 3.28Å
433	I	89.5	Confident	86.5	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-41.6	174.5	-68.1	165.5	0	0	0	110.5	Y413 K429 A430 Q435 Q436 S437 L481 M484 E485 I488	Y413-I433 HydrophobicContact CD1-CD1 4.11Å; Y413-I433 HydrophobicContact CE1-CD1 3.89Å; K429-I433 PolarHBondContact O-N 3.49Å; K429-I433 VanDerWaalsContact O-N 3.16Å; A430-I433 PolarHBondContact O-N 3.39Å; I433-Q435 VanDerWaalsContact C-N 3.32Å; I433-Q435 PolarHBondContact O-N 3.07Å; I433-Q436 PolarHBondContact O-N 3.19Å; I433-S437 VanDerWaalsContact O-CB 3.31Å; I433-S437 WeakPolarHBondContact O-CB 3.43Å; I433-S437 PolarHBondContact O-N 3.48Å; I433-S437 PolarHBondContact O-OG 3.5Å; I433-L481 HydrophobicContact CD1-CB 3.99Å; I433-L481 HydrophobicContact CD1-CD1 4.11Å; I433-L481 HydrophobicContact CD1-CD2 3.9Å; I433-L481 HydrophobicContact CD1-CG 4.21Å; I433-M484 HydrophobicContact CB-CE 3.6Å; I433-M484 HydrophobicContact CD1-CE 3.72Å; I433-M484 HydrophobicContact CG1-CE 4.28Å; I433-M484 HydrophobicContact CG2-CE 3.52Å; I433-E485 HydrophobicContact CG2-CB 4.01Å; I433-E485 HydrophobicContact CG2-CG 4.08Å; I433-I488 HydrophobicContact CG2-CD1 3.88Å
434	V	90.6	Very high	86	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-60.7	-43.5	174.5	172	0	0	0	0	111.1	A430 Q431 M432 Q436 F438 M439 L451 I454 A455 W638	A430-V434 WeakPolarHBondContact O-CG2 3.2Å; A430-V434 PolarHBondContact O-N 2.82Å; Q431-V434 PolarHBondContact O-N 2.95Å; M432-V434 VanDerWaalsContact C-N 3.32Å; M432-V434 PolarHBondContact O-N 3.46Å; V434-Q436 VanDerWaalsContact C-N 3.3Å; V434-Q436 PolarHBondContact O-N 3.08Å; V434-F438 HydrophobicContact CG1-CB 4.24Å; V434-F438 HydrophobicContact CG1-CD1 4.16Å; V434-F438 WeakPolarHBondContact O-CA 3.33Å; V434-F438 VanDerWaalsContact O-CB 3.3Å; V434-F438 WeakPolarHBondContact O-CB 3.24Å; V434-F438 PolarHBondContact O-N 3.15Å; V434-F438 VanDerWaalsContact O-N 3.15Å; V434-M439 PolarHBondContact O-N 2.92Å; V434-L451 HydrophobicContact CG1-CD2 3.8Å; V434-I454 HydrophobicContact CG1-CB 4.17Å; V434-I454 HydrophobicContact CG1-CG2 3.69Å; V434-I454 HydrophobicContact CG2-CG2 4.05Å; V434-A455 HydrophobicContact CG2-CB 4.29Å; V434-W638 HydrophobicContact CG2-CH2 3.86Å; V434-W638 HydrophobicContact CG2-CZ3 4.31Å
435	Q	86.5	Confident	85.5	Confident	82 Å²	82	36.2 Å²	36.2	38%	0.383	19%	0.186	S	C	.	.	I	π-helix	trans	-64.8	-32.7	177.4	-179.6	61.3	44.9	0	0	113	Q431 M432 I433 M439	Q431-Q435 VanDerWaalsContact O-CB 3.3Å; Q431-Q435 WeakPolarHBondContact O-CB 3.5Å; Q431-Q435 PolarHBondContact O-N 2.75Å; M432-Q435 WeakPolarHBondContact O-CB 3.2Å; M432-Q435 PolarHBondContact O-N 3.47Å; I433-Q435 VanDerWaalsContact C-N 3.32Å; I433-Q435 PolarHBondContact O-N 3.07Å; Q435-M439 VanDerWaalsContact O-CB 3.3Å; Q435-M439 WeakPolarHBondContact O-CB 3.12Å
436	Q	82	Confident	85.3	Confident	65 Å²	65	34.8 Å²	34.8	30%	0.304	18%	0.179	S	C	.	.	I	π-helix	trans	-94	-44.3	-173.1	-71.7	167.6	2.8	0	0	112.5	P357 M432 I433 V434 P440	P357-Q436 HydrophobicContact CB-CG 4.36Å; P357-Q436 VanDerWaalsContact CB-NE2 3.33Å; M432-Q436 WeakPolarHBondContact O-CB 3.16Å; M432-Q436 VanDerWaalsContact O-CG 3.26Å; M432-Q436 WeakPolarHBondContact O-CG 3.43Å; M432-Q436 PolarHBondContact O-N 3.28Å; I433-Q436 PolarHBondContact O-N 3.19Å; V434-Q436 VanDerWaalsContact C-N 3.3Å; V434-Q436 PolarHBondContact O-N 3.08Å; Q436-P440 WeakPolarHBondContact O-CD 3.39Å; Q436-P440 WeakPolarHBondContact O-CG 3.32Å
437	S	87.7	Confident	85	Confident	7 Å²	7	38.1 Å²	38.1	5%	0.049	20%	0.2	C	C	.	.	I	π-helix	trans	-96.2	-41.1	-172.8	-51.5	0	0	0	0	111.6	I433 I488 E489	I433-S437 VanDerWaalsContact O-CB 3.31Å; I433-S437 WeakPolarHBondContact O-CB 3.43Å; I433-S437 PolarHBondContact O-N 3.48Å; I433-S437 PolarHBondContact O-OG 3.5Å; S437-I488 WeakPolarHBondContact O-CG2 3.37Å; S437-E489 VanDerWaalsContact CB-OE1 3.32Å; S437-E489 WeakPolarHBondContact CB-OE1 3.02Å; S437-E489 PolarHBondContact OG-OE1 2.86Å
438	F	88	Confident	84.7	Confident	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.226	C	C	.	.	I	π-helix	trans	-84.6	-38.9	-175.3	174.4	-98.4	0	0	0	112.5	V434 Y441 F442 L446 I454 I488 W638 I642	V434-F438 HydrophobicContact CG1-CB 4.24Å; V434-F438 HydrophobicContact CG1-CD1 4.16Å; V434-F438 WeakPolarHBondContact O-CA 3.33Å; V434-F438 VanDerWaalsContact O-CB 3.3Å; V434-F438 WeakPolarHBondContact O-CB 3.24Å; V434-F438 PolarHBondContact O-N 3.15Å; V434-F438 VanDerWaalsContact O-N 3.15Å; F438-Y441 HydrophobicContact CD2-CD1 4.05Å; F438-Y441 HydrophobicContact CE2-CD1 4.12Å; F438-Y441 CarbonylContact O-C 3.43Å; F438-Y441 WeakPolarHBondContact O-CA 3.36Å; F438-Y441 WeakPolarHBondContact O-CB 3.36Å; F438-Y441 PolarHBondContact O-N 3.02Å; F438-F442 HydrophobicContact CD1-CB 4.42Å; F438-F442 HydrophobicContact CE1-CB 3.85Å; F438-F442 HydrophobicContact CE1-CD2 4.31Å; F438-F442 HydrophobicContact CE1-CG 4.03Å; F438-F442 HydrophobicContact CE2-CB 4.5Å; F438-F442 HydrophobicContact CZ-CB 3.88Å; F438-F442 AromaticContact CZ-CD2 3.82Å; F438-F442 HydrophobicContact CZ-CD2 3.82Å; F438-F442 AromaticContact CZ-CG 3.97Å; F438-F442 HydrophobicContact CZ-CG 3.97Å; F438-F442 PolarHBondContact O-N 3.39Å; F438-L446 HydrophobicContact CE1-CD1 4.16Å; F438-I454 HydrophobicContact CE1-CD1 4.23Å; F438-I488 HydrophobicContact CB-CD1 4.5Å; F438-I488 HydrophobicContact CB-CG2 3.86Å; F438-W638 HydrophobicContact CB-CE3 4.42Å; F438-W638 HydrophobicContact CB-CZ3 4.14Å; F438-W638 HydrophobicContact CD2-CD2 4.41Å; F438-W638 AromaticContact CD2-CE3 3.41Å; F438-W638 HydrophobicContact CD2-CE3 3.41Å; F438-W638 VanDerWaalsContact CD2-CE3 3.41Å; F438-W638 AromaticContact CD2-CZ3 3.84Å; F438-W638 HydrophobicContact CD2-CZ3 3.84Å; F438-W638 AromaticContact CE2-CE3 3.85Å; F438-W638 HydrophobicContact CE2-CE3 3.85Å; F438-W638 HydrophobicContact CE2-CZ3 4.45Å; F438-W638 AromaticContact CG-CE3 3.99Å; F438-W638 HydrophobicContact CG-CE3 3.99Å; F438-W638 AromaticContact CG-CZ3 3.92Å; F438-W638 HydrophobicContact CG-CZ3 3.92Å; F438-I642 HydrophobicContact CE1-CG2 3.76Å; F438-I642 HydrophobicContact CE2-CB 4.44Å; F438-I642 HydrophobicContact CE2-CG2 3.88Å; F438-I642 HydrophobicContact CZ-CB 4.26Å; F438-I642 HydrophobicContact CZ-CG2 3.31Å
439	M	82.5	Confident	84.5	Confident	12 Å²	12	42.6 Å²	42.6	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-45.1	-179.5	-80	-71.3	-60.8	0	0	113.8	F274 V434 Q435 Y441 F442 L446 L451	F274-M439 VanDerWaalsContact CE1-O 3.26Å; F274-M439 WeakPolarHBondContact CE1-O 3.48Å; F274-M439 HydrophobicContact CZ-CE 4.33Å; F274-M439 WeakPolarHBondContact CZ-O 3.24Å; V434-M439 PolarHBondContact O-N 2.92Å; Q435-M439 VanDerWaalsContact O-CB 3.3Å; Q435-M439 WeakPolarHBondContact O-CB 3.12Å; M439-Y441 PolarHBondContact O-N 2.92Å; M439-F442 PolarHBondContact O-N 3.42Å; M439-F442 VanDerWaalsContact O-O 3.12Å; M439-L446 HydrophobicContact SD-CB 3.9Å; M439-L446 HydrophobicContact SD-CD1 4.12Å; M439-L446 HydrophobicContact SD-CG 4.03Å; M439-L451 HydrophobicContact CG-CD2 3.7Å; M439-L451 HydrophobicContact SD-CD1 4.47Å; M439-L451 HydrophobicContact SD-CD2 3.65Å
440	P	82.9	Confident	84.4	Confident	38 Å²	38	41.7 Å²	41.7	25%	0.247	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-26.1	175.3	-23.5	36.6	0	0	0	113.4	G268 Q436	G268-P440 VanDerWaalsContact CA-C 3.48Å; G268-P440 WeakPolarHBondContact O-CB 3.39Å; Q436-P440 WeakPolarHBondContact O-CD 3.39Å; Q436-P440 WeakPolarHBondContact O-CG 3.32Å
441	Y	82	Confident	84.2	Confident	9 Å²	9	41.7 Å²	41.7	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-75.5	-30.2	175.9	175.9	-119.6	0	0	0	112.6	T266 F438 M439 P493 K496 N639	T266-Y441 WeakPolarHBondContact O-CD2 3.27Å; T266-Y441 WeakPolarHBondContact O-CE2 3.48Å; F438-Y441 HydrophobicContact CD2-CD1 4.05Å; F438-Y441 HydrophobicContact CE2-CD1 4.12Å; F438-Y441 CarbonylContact O-C 3.43Å; F438-Y441 WeakPolarHBondContact O-CA 3.36Å; F438-Y441 WeakPolarHBondContact O-CB 3.36Å; F438-Y441 PolarHBondContact O-N 3.02Å; M439-Y441 PolarHBondContact O-N 2.92Å; Y441-P493 HydrophobicContact CD2-CG 4.02Å; Y441-P493 HydrophobicContact CE2-CB 4.24Å; Y441-P493 HydrophobicContact CE2-CG 3.87Å; Y441-K496 HydrophobicContact CE2-CD 4.06Å; Y441-K496 WeakPolarHBondContact OH-CD 3.46Å; Y441-N639 PolarHBondContact OH-OD1 3.34Å
442	F	83.6	Confident	84.1	Confident	28 Å²	28	44 Å²	44	12%	0.123	24%	0.24	C	C	.	.	S	Bend	trans	-84.2	142.5	-179.9	-168.8	-115.7	0	0	0	111.8	F274 F438 M439 N444 L446 P643 V646	F274-F442 WeakPolarHBondContact CE1-O 3.35Å; F438-F442 HydrophobicContact CD1-CB 4.42Å; F438-F442 HydrophobicContact CE1-CB 3.85Å; F438-F442 HydrophobicContact CE1-CD2 4.31Å; F438-F442 HydrophobicContact CE1-CG 4.03Å; F438-F442 HydrophobicContact CE2-CB 4.5Å; F438-F442 HydrophobicContact CZ-CB 3.88Å; F438-F442 AromaticContact CZ-CD2 3.82Å; F438-F442 HydrophobicContact CZ-CD2 3.82Å; F438-F442 AromaticContact CZ-CG 3.97Å; F438-F442 HydrophobicContact CZ-CG 3.97Å; F438-F442 PolarHBondContact O-N 3.39Å; M439-F442 PolarHBondContact O-N 3.42Å; M439-F442 VanDerWaalsContact O-O 3.12Å; F442-N444 HydrophobicContact CD1-CB 4.23Å; F442-N444 WeakPolarHBondContact CD1-O 3.17Å; F442-N444 HydrophobicContact CE1-CB 3.84Å; F442-N444 PolarHBondContact O-N 3.26Å; F442-N444 VanDerWaalsContact O-N 3.12Å; F442-L446 HydrophobicContact CD1-CD1 3.98Å; F442-L446 HydrophobicContact CD1-CD2 4.29Å; F442-L446 HydrophobicContact CD1-CG 4.01Å; F442-L446 HydrophobicContact CE1-CD1 4.13Å; F442-L446 HydrophobicContact CE1-CD2 3.74Å; F442-L446 HydrophobicContact CE1-CG 3.98Å; F442-P643 HydrophobicContact CE2-CB 4.47Å; F442-V646 HydrophobicContact CE1-CG1 4.11Å; F442-V646 HydrophobicContact CZ-CB 4.33Å; F442-V646 HydrophobicContact CZ-CG1 3.76Å; F442-V646 HydrophobicContact CZ-CG2 4.49Å
443	D	76.7	Confident	84.4	Confident	79 Å²	79	46.4 Å²	46.4	42%	0.422	25%	0.252	S	S	.	.	S	Bend	trans	-75.9	-0.7	-171.4	-61.9	-50	0	0	0	114.4	R273	R273-D443 WeakPolarHBondContact CD-OD1 3.36Å; R273-D443 IonicContact CZ-OD1 3.17Å; R273-D443 IonicContact NE-OD1 2.82Å; R273-D443 IonicContact NH1-OD1 3.71Å; R273-D443 PolarHBondContact NH1-OD1 2.83Å
444	N	74.1	Confident	84.5	Confident	73 Å²	73	46.2 Å²	46.2	39%	0.39	25%	0.251	S	S	.	.	S	Bend	trans	-144.5	158.9	-174.5	-72.2	-57.9	0	0	0	113.7	F442	F442-N444 HydrophobicContact CD1-CB 4.23Å; F442-N444 WeakPolarHBondContact CD1-O 3.17Å; F442-N444 HydrophobicContact CE1-CB 3.84Å; F442-N444 PolarHBondContact O-N 3.26Å; F442-N444 VanDerWaalsContact O-N 3.12Å
445	T	78.2	Confident	84.5	Confident	98 Å²	98	46.2 Å²	46.2	60%	0.601	25%	0.251	S	S	*	.			trans	-73.9	139	170.2	57	0	0	0	0	112.2	F274 R650	F274-T445 HydrophobicContact CD2-CG2 4.06Å; F274-T445 HydrophobicContact CE2-CG2 3.9Å; T445-R650 PolarHBondContact O-NH2 2.88Å
446	L	82	Confident	84.8	Confident	15 Å²	15	46 Å²	46	8%	0.079	25%	0.252	C	S	.	.			trans	-113.7	144	177.6	-65	176.3	0	0	0	111.8	F438 M439 F442 T450 L451 I454 V646	F438-L446 HydrophobicContact CE1-CD1 4.16Å; M439-L446 HydrophobicContact SD-CB 3.9Å; M439-L446 HydrophobicContact SD-CD1 4.12Å; M439-L446 HydrophobicContact SD-CG 4.03Å; F442-L446 HydrophobicContact CD1-CD1 3.98Å; F442-L446 HydrophobicContact CD1-CD2 4.29Å; F442-L446 HydrophobicContact CD1-CG 4.01Å; F442-L446 HydrophobicContact CE1-CD1 4.13Å; F442-L446 HydrophobicContact CE1-CD2 3.74Å; F442-L446 HydrophobicContact CE1-CG 3.98Å; L446-T450 HydrophobicContact CD1-CG2 4.4Å; L446-T450 HydrophobicContact CD2-CG2 4.32Å; L446-L451 HydrophobicContact CB-CD1 4.42Å; L446-L451 HydrophobicContact CB-CD2 4.2Å; L446-L451 HydrophobicContact CB-CG 4.03Å; L446-L451 HydrophobicContact CD1-CD2 4.32Å; L446-I454 HydrophobicContact CD1-CD1 3.75Å; L446-V646 HydrophobicContact CD1-CG2 3.93Å; L446-V646 HydrophobicContact CD2-CG1 3.55Å; L446-V646 HydrophobicContact CD2-CG2 4.12Å
447	P	84	Confident	85.2	Confident	70 Å²	70	45.1 Å²	45.1	46%	0.455	25%	0.251	S	S	.	.			trans	-61	148.4	169.9	-20.9	32.3	0	0	0	111.9	S449 T450 L451	P447-S449 PolarHBondContact O-N 3.38Å; P447-S449 VanDerWaalsContact O-N 3.12Å; P447-T450 WeakPolarHBondContact O-CB 3.19Å; P447-T450 PolarHBondContact O-N 2.68Å; P447-L451 PolarHBondContact O-N 2.97Å; P447-L451 VanDerWaalsContact O-N 3.09Å
448	N	83.1	Confident	85.4	Confident	116 Å²	116	44.8 Å²	44.8	62%	0.62	25%	0.249	S	C	*	.	H	α-helix	trans	-55.6	-31.5	177.5	-77.4	-11.2	0	0	0	113.6	L451 K452	N448-L451 PolarHBondContact O-N 3.36Å; N448-K452 WeakPolarHBondContact O-CB 3.24Å; N448-K452 PolarHBondContact O-N 2.89Å
449	S	85.8	Confident	85.5	Confident	89 Å²	89	45.2 Å²	45.2	62%	0.622	25%	0.251	S	S	*	.	H	α-helix	trans	-65.1	-42.2	175.4	52.5	0	0	0	0	112.3	P447 K452 M453	P447-S449 PolarHBondContact O-N 3.38Å; P447-S449 VanDerWaalsContact O-N 3.12Å; S449-K452 PolarHBondContact O-N 3.3Å; S449-M453 PolarHBondContact O-N 3.36Å; S449-M453 VanDerWaalsContact O-N 3.09Å
450	T	87.2	Confident	85.8	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-41.4	175.3	-52.4	0	0	0	0	110.8	L446 P447 M453 I454 V646 V649	L446-T450 HydrophobicContact CD1-CG2 4.4Å; L446-T450 HydrophobicContact CD2-CG2 4.32Å; P447-T450 WeakPolarHBondContact O-CB 3.19Å; P447-T450 PolarHBondContact O-N 2.68Å; T450-M453 WeakPolarHBondContact O-CB 3.4Å; T450-M453 PolarHBondContact O-N 3.27Å; T450-I454 HydrophobicContact CG2-CD1 4.08Å; T450-I454 WeakPolarHBondContact O-CG1 3.46Å; T450-I454 PolarHBondContact O-N 3.1Å; T450-V646 HydrophobicContact CG2-CG2 4.25Å; T450-V649 HydrophobicContact CG2-CG1 4.42Å
451	L	86.6	Confident	86.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-43.3	177.6	-69.3	159.5	0	0	0	112.4	V434 M439 L446 P447 N448 M453 I454 A455	V434-L451 HydrophobicContact CG1-CD2 3.8Å; M439-L451 HydrophobicContact CG-CD2 3.7Å; M439-L451 HydrophobicContact SD-CD1 4.47Å; M439-L451 HydrophobicContact SD-CD2 3.65Å; L446-L451 HydrophobicContact CB-CD1 4.42Å; L446-L451 HydrophobicContact CB-CD2 4.2Å; L446-L451 HydrophobicContact CB-CG 4.03Å; L446-L451 HydrophobicContact CD1-CD2 4.32Å; P447-L451 PolarHBondContact O-N 2.97Å; P447-L451 VanDerWaalsContact O-N 3.09Å; N448-L451 PolarHBondContact O-N 3.36Å; L451-M453 VanDerWaalsContact C-N 3.29Å; L451-M453 PolarHBondContact O-N 2.85Å; L451-I454 PolarHBondContact O-N 3.08Å; L451-A455 WeakPolarHBondContact O-CB 3.43Å; L451-A455 PolarHBondContact O-N 3.48Å
452	K	88.5	Confident	86.5	Confident	98 Å²	98	51.4 Å²	51.4	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-38.1	173.8	-172	175	-178.3	178.4	0	112	L427 N448 S449 A455 L456	L427-K452 HydrophobicContact CD1-CG 4.47Å; L427-K452 HydrophobicContact CD2-CD 4.44Å; L427-K452 VanDerWaalsContact CD2-CE 3.44Å; L427-K452 HydrophobicContact CD2-CG 4.11Å; L427-K452 HydrophobicContact CG-CG 4.44Å; N448-K452 WeakPolarHBondContact O-CB 3.24Å; N448-K452 PolarHBondContact O-N 2.89Å; S449-K452 PolarHBondContact O-N 3.3Å; K452-A455 PolarHBondContact O-N 3.05Å; K452-L456 PolarHBondContact O-N 2.87Å
453	M	90.3	Very high	86.6	Confident	83 Å²	83	51.1 Å²	51.1	41%	0.409	28%	0.275	S	S	.	.	H	α-helix	trans	-65.9	-47.4	175	-176.2	-175.9	-69.2	0	0	111.7	S449 T450 L451 A455 L456 V457 L645 V649	S449-M453 PolarHBondContact O-N 3.36Å; S449-M453 VanDerWaalsContact O-N 3.09Å; T450-M453 WeakPolarHBondContact O-CB 3.4Å; T450-M453 PolarHBondContact O-N 3.27Å; L451-M453 VanDerWaalsContact C-N 3.29Å; L451-M453 PolarHBondContact O-N 2.85Å; M453-A455 VanDerWaalsContact C-N 3.28Å; M453-A455 PolarHBondContact O-N 3.31Å; M453-L456 PolarHBondContact O-N 3.42Å; M453-V457 WeakPolarHBondContact O-CG2 3.34Å; M453-V457 PolarHBondContact O-N 2.87Å; M453-L645 HydrophobicContact CG-CD2 4.5Å; M453-L645 HydrophobicContact SD-CD1 4.23Å; M453-L645 HydrophobicContact SD-CD2 4.4Å; M453-V649 HydrophobicContact CE-CG2 4.43Å; M453-V649 HydrophobicContact SD-CG2 3.83Å
454	I	91.8	Very high	86.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-44.6	175.9	-68	167.1	0	0	0	110.1	V434 F438 L446 T450 L451 L456 V457 A458 W638 I642 L645 V646	V434-I454 HydrophobicContact CG1-CB 4.17Å; V434-I454 HydrophobicContact CG1-CG2 3.69Å; V434-I454 HydrophobicContact CG2-CG2 4.05Å; F438-I454 HydrophobicContact CE1-CD1 4.23Å; L446-I454 HydrophobicContact CD1-CD1 3.75Å; T450-I454 HydrophobicContact CG2-CD1 4.08Å; T450-I454 WeakPolarHBondContact O-CG1 3.46Å; T450-I454 PolarHBondContact O-N 3.1Å; L451-I454 PolarHBondContact O-N 3.08Å; I454-L456 PolarHBondContact O-N 3.5Å; I454-V457 PolarHBondContact O-N 2.91Å; I454-A458 VanDerWaalsContact O-CB 3.28Å; I454-A458 WeakPolarHBondContact O-CB 3.47Å; I454-A458 PolarHBondContact O-N 2.7Å; I454-W638 HydrophobicContact CG2-CH2 4.23Å; I454-W638 HydrophobicContact CG2-CZ3 3.78Å; I454-I642 HydrophobicContact CD1-CG2 3.87Å; I454-I642 HydrophobicContact CG1-CD1 4.46Å; I454-I642 HydrophobicContact CG1-CG2 4.1Å; I454-I642 HydrophobicContact CG2-CD1 3.94Å; I454-I642 HydrophobicContact CG2-CG1 4.41Å; I454-I642 HydrophobicContact CG2-CG2 4.14Å; I454-L645 HydrophobicContact CG1-CD2 4.48Å; I454-V646 HydrophobicContact CD1-CG2 3.91Å
455	A	92.1	Very high	86.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-43.2	177.3	0	0	0	0	0	112.9	L427 A430 Q431 V434 L451 K452 M453 A458 L459	L427-A455 HydrophobicContact CD1-CB 3.92Å; A430-A455 HydrophobicContact CB-CB 4.21Å; Q431-A455 VanDerWaalsContact CA-CB 3.43Å; Q431-A455 HydrophobicContact CB-CB 3.76Å; Q431-A455 HydrophobicContact CG-CB 4.45Å; V434-A455 HydrophobicContact CG2-CB 4.29Å; L451-A455 WeakPolarHBondContact O-CB 3.43Å; L451-A455 PolarHBondContact O-N 3.48Å; K452-A455 PolarHBondContact O-N 3.05Å; M453-A455 VanDerWaalsContact C-N 3.28Å; M453-A455 PolarHBondContact O-N 3.31Å; A455-A458 PolarHBondContact O-N 2.97Å; A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 WeakPolarHBondContact O-CG 3.26Å; A455-L459 PolarHBondContact O-N 3.04Å
456	L	91	Very high	85.7	Confident	78 Å²	78	53.5 Å²	53.5	41%	0.408	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-45.2	176.4	-175.8	66.6	0	0	0	111.5	L427 K452 M453 I454 L459 H460	L427-L456 HydrophobicContact CD1-CB 3.96Å; L427-L456 HydrophobicContact CD1-CD1 4.33Å; K452-L456 PolarHBondContact O-N 2.87Å; M453-L456 PolarHBondContact O-N 3.42Å; I454-L456 PolarHBondContact O-N 3.5Å; L456-L459 PolarHBondContact O-N 3.12Å; L456-H460 PolarHBondContact O-N 2.97Å
457	V	91.1	Very high	85.2	Confident	47 Å²	47	61.5 Å²	61.5	29%	0.285	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-41.9	177.6	176.8	0	0	0	0	110.9	M453 I454 H460 H461 F637 L645	M453-V457 WeakPolarHBondContact O-CG2 3.34Å; M453-V457 PolarHBondContact O-N 2.87Å; I454-V457 PolarHBondContact O-N 2.91Å; V457-H460 WeakPolarHBondContact O-CB 3.13Å; V457-H460 PolarHBondContact O-N 3.22Å; V457-H461 WeakPolarHBondContact O-CB 3.31Å; V457-H461 PolarHBondContact O-N 2.94Å; V457-F637 HydrophobicContact CG1-CE2 3.72Å; V457-F637 HydrophobicContact CG1-CZ 3.82Å; V457-L645 HydrophobicContact CG2-CD2 4.3Å
458	A	92.4	Very high	84.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-44.3	177.2	0	0	0	0	0	111.6	I454 A455 H460 H461 Y462 M484 F637 W638	I454-A458 VanDerWaalsContact O-CB 3.28Å; I454-A458 WeakPolarHBondContact O-CB 3.47Å; I454-A458 PolarHBondContact O-N 2.7Å; A455-A458 PolarHBondContact O-N 2.97Å; A458-H460 VanDerWaalsContact C-N 3.27Å; A458-H460 PolarHBondContact O-N 3.28Å; A458-H461 WeakPolarHBondContact O-CA 3.4Å; A458-H461 WeakPolarHBondContact O-CB 3.4Å; A458-H461 PolarHBondContact O-N 3.34Å; A458-Y462 WeakPolarHBondContact O-CD2 3.35Å; A458-Y462 PolarHBondContact O-N 3.13Å; A458-M484 HydrophobicContact CB-SD 3.76Å; A458-F637 HydrophobicContact CB-CE1 4.14Å; A458-F637 HydrophobicContact CB-CZ 4.22Å; A458-W638 HydrophobicContact CB-CH2 3.64Å; A458-W638 HydrophobicContact CB-CZ2 3.79Å
459	L	90	Very high	83.6	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-41.7	172.1	-79.2	177.2	0	0	0	112.1	A426 L427 A430 A455 L456 H461 L463 W465 F477	A426-L459 HydrophobicContact CB-CD1 4.28Å; L427-L459 HydrophobicContact CB-CD1 4.21Å; L427-L459 HydrophobicContact CD1-CD1 4.17Å; A430-L459 HydrophobicContact CB-CD1 3.7Å; A430-L459 HydrophobicContact CB-CD2 3.62Å; A430-L459 HydrophobicContact CB-CG 3.41Å; A430-L459 VanDerWaalsContact CB-CG 3.41Å; A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 WeakPolarHBondContact O-CG 3.26Å; A455-L459 PolarHBondContact O-N 3.04Å; L456-L459 PolarHBondContact O-N 3.12Å; L459-H461 VanDerWaalsContact C-N 3.25Å; L459-H461 PolarHBondContact O-N 3.05Å; L459-L463 HydrophobicContact CB-CD1 4.42Å; L459-L463 HydrophobicContact CD2-CD1 3.91Å; L459-L463 HydrophobicContact CD2-CG 4.49Å; L459-L463 VanDerWaalsContact O-CB 3.25Å; L459-L463 WeakPolarHBondContact O-CB 3.49Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.23Å; L459-W465 PolarHBondContact O-NE1 3.46Å; L459-F477 HydrophobicContact CD2-CE2 3.82Å; L459-F477 HydrophobicContact CD2-CZ 4.48Å
460	H	87.9	Confident	82.9	Confident	116 Å²	116	55.9 Å²	55.9	54%	0.537	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-36.4	174.8	-167.2	69.5	0	0	0	112.5	L456 V457 A458 W465	L456-H460 PolarHBondContact O-N 2.97Å; V457-H460 WeakPolarHBondContact O-CB 3.13Å; V457-H460 PolarHBondContact O-N 3.22Å; A458-H460 VanDerWaalsContact C-N 3.27Å; A458-H460 PolarHBondContact O-N 3.28Å; H460-W465 AromaticContact CE1-CD1 3.8Å; H460-W465 AromaticContact CE1-CG 3.79Å; H460-W465 AromaticContact ND1-CD1 3.34Å; H460-W465 VanDerWaalsContact ND1-CD1 3.34Å; H460-W465 AromaticContact ND1-CD2 3.66Å; H460-W465 AromaticContact ND1-CE2 3.67Å; H460-W465 AromaticContact ND1-CG 3.56Å; H460-W465 AromaticContact ND1-NE1 3.51Å
461	H	90	Very high	82	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-72	-37.6	-179.2	-170.1	69.3	0	0	0	113.9	V457 A458 L459 H634 F637	V457-H461 WeakPolarHBondContact O-CB 3.31Å; V457-H461 PolarHBondContact O-N 2.94Å; A458-H461 WeakPolarHBondContact O-CA 3.4Å; A458-H461 WeakPolarHBondContact O-CB 3.4Å; A458-H461 PolarHBondContact O-N 3.34Å; L459-H461 VanDerWaalsContact C-N 3.25Å; L459-H461 PolarHBondContact O-N 3.05Å; H461-H634 AromaticContact CD2-ND1 3.41Å; H461-H634 PolarHBondContact CD2-ND1 2.84Å; H461-H634 AromaticContact CE1-ND1 3.57Å; H461-H634 WeakPolarHBondContact NE2-CA 2.94Å; H461-H634 AromaticContact NE2-CE1 3.87Å; H461-H634 AromaticContact NE2-CG 3.71Å; H461-H634 AromaticContact NE2-ND1 2.87Å; H461-H634 PolarHBondContact NE2-ND1 2.65Å; H461-F637 HydrophobicContact CB-CD2 4.35Å; H461-F637 HydrophobicContact CB-CE2 3.99Å; H461-F637 HydrophobicContact CB-CZ 4.21Å; H461-F637 AromaticContact CD2-CD2 3.93Å; H461-F637 AromaticContact CD2-CG 3.82Å; H461-F637 AromaticContact CE1-CD2 3.95Å; H461-F637 AromaticContact CG-CD2 3.78Å; H461-F637 AromaticContact CG-CE2 3.93Å; H461-F637 AromaticContact ND1-CD2 3.8Å; H461-F637 AromaticContact NE2-CG 3.89Å
462	Y	91.1	Very high	81.6	Confident	22 Å²	22	63.2 Å²	63.2	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-97.1	-27.3	-175.2	-77.6	-85.1	0	0	0	114.6	A458 R483 M484 D487 H634 W638	A458-Y462 WeakPolarHBondContact O-CD2 3.35Å; A458-Y462 PolarHBondContact O-N 3.13Å; Y462-R483 HydrophobicContact CD1-CB 3.88Å; Y462-R483 HydrophobicContact CE1-CB 3.93Å; Y462-M484 HydrophobicContact CD1-CB 4.12Å; Y462-M484 HydrophobicContact CD2-CB 3.73Å; Y462-M484 HydrophobicContact CD2-CG 3.67Å; Y462-M484 HydrophobicContact CD2-SD 4.25Å; Y462-M484 HydrophobicContact CE1-CB 4.19Å; Y462-M484 HydrophobicContact CE2-CB 3.83Å; Y462-M484 HydrophobicContact CE2-CG 3.62Å; Y462-M484 HydrophobicContact CG-CB 3.9Å; Y462-M484 HydrophobicContact CG-CG 4.34Å; Y462-D487 WeakPolarHBondContact CE1-OD2 3.29Å; Y462-D487 WeakPolarHBondContact OH-CB 3.41Å; Y462-D487 PolarHBondContact OH-OD2 2.99Å; Y462-H634 HydrophobicContact CE1-CB 4.1Å; Y462-H634 PolarHBondContact OH-O 2.87Å; Y462-H634 VanDerWaalsContact OH-O 3.1Å; Y462-W638 HydrophobicContact CE2-CZ2 4.22Å; Y462-W638 AromaticContact CE2-NE1 3.81Å; Y462-W638 AromaticContact CZ-NE1 3.94Å; Y462-W638 PolarHBondContact OH-NE1 3.01Å; Y462-W638 VanDerWaalsContact OH-NE1 3.14Å
463	L	85.5	Confident	81.5	Confident	22 Å²	22	61.8 Å²	61.8	12%	0.115	33%	0.332	C	S	.	.	S	Bend	trans	-86	143.3	174.4	-63.9	171.6	0	0	0	110.1	L459 W465 P470 F477 A480	L459-L463 HydrophobicContact CB-CD1 4.42Å; L459-L463 HydrophobicContact CD2-CD1 3.91Å; L459-L463 HydrophobicContact CD2-CG 4.49Å; L459-L463 VanDerWaalsContact O-CB 3.25Å; L459-L463 WeakPolarHBondContact O-CB 3.49Å; L459-L463 WeakPolarHBondContact O-CG 3.46Å; L459-L463 PolarHBondContact O-N 3.23Å; L463-W465 PolarHBondContact O-N 2.94Å; L463-P470 HydrophobicContact CB-CB 4.43Å; L463-P470 HydrophobicContact CD1-CB 4.48Å; L463-F477 HydrophobicContact CD1-CD2 4.2Å; L463-F477 HydrophobicContact CD1-CE2 4.34Å; L463-F477 HydrophobicContact CD2-CD2 4.03Å; L463-A480 HydrophobicContact CD2-CB 3.46Å; L463-A480 VanDerWaalsContact CD2-CB 3.46Å; L463-A480 HydrophobicContact CG-CB 4.21Å
464	V	70.9	Confident	81.3	Confident	111 Å²	111	59.8 Å²	59.8	67%	0.673	32%	0.322	S	S	*	.			trans	-82.8	111.2	170.7	-178.2	0	0	0	0	108
465	W	67.6	Low	81.1	Confident	83 Å²	83	64 Å²	64	31%	0.314	35%	0.348	S	S	.	.			trans	-91.3	118.9	175.9	-64.9	73.1	0	0	0	109.1	L459 H460 L463 P470	L459-W465 PolarHBondContact O-NE1 3.46Å; H460-W465 AromaticContact CE1-CD1 3.8Å; H460-W465 AromaticContact CE1-CG 3.79Å; H460-W465 AromaticContact ND1-CD1 3.34Å; H460-W465 VanDerWaalsContact ND1-CD1 3.34Å; H460-W465 AromaticContact ND1-CD2 3.66Å; H460-W465 AromaticContact ND1-CE2 3.67Å; H460-W465 AromaticContact ND1-CG 3.56Å; H460-W465 AromaticContact ND1-NE1 3.51Å; L463-W465 PolarHBondContact O-N 2.94Å; W465-P470 HydrophobicContact CD2-CG 4.33Å; W465-P470 VanDerWaalsContact CE3-CD 3.49Å; W465-P470 HydrophobicContact CE3-CG 4.3Å; W465-P470 HydrophobicContact CH2-CG 4.14Å; W465-P470 HydrophobicContact CZ2-CG 4.19Å; W465-P470 HydrophobicContact CZ3-CG 4.2Å
466	N	71.6	Confident	80.9	Confident	107 Å²	107	69.5 Å²	69.5	57%	0.572	37%	0.372	S	S	*	.	B	Isolated β-bridge	trans	-91.9	175.8	165.8	-69.6	8.2	0	0	0	109.3	S468 G469	N466-S468 PolarHBondContact O-N 2.84Å; N466-G469 PolarHBondContact N-O 3.34Å; N466-G469 PolarHBondContact O-N 3.44Å
467	D	70.1	Confident	80.8	Confident	183 Å²	183	66 Å²	66	98%	0.979	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.5	175.7	-62	-29.7	0	0	0	113.1
468	S	67	Low	80.8	Confident	126 Å²	126	64.3 Å²	64.3	88%	0.881	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	3.3	176.2	-45.4	0	0	0	0	114.6	N466	N466-S468 PolarHBondContact O-N 2.84Å
469	G	66.6	Low	80.7	Confident	20 Å²	20	68.3 Å²	68.3	21%	0.206	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	87.2	-177.2	-168.1	0	0	0	0	0	113.6	N466	N466-G469 PolarHBondContact N-O 3.34Å; N466-G469 PolarHBondContact O-N 3.44Å
470	P	70.7	Confident	80.8	Confident	11 Å²	11	68.2 Å²	68.2	7%	0.071	36%	0.362	C	S	.	.			trans	-73.1	143.6	-179.7	31.3	-32.4	0	0	0	109.4	L463 W465 W472	L463-P470 HydrophobicContact CB-CB 4.43Å; L463-P470 HydrophobicContact CD1-CB 4.48Å; W465-P470 HydrophobicContact CD2-CG 4.33Å; W465-P470 VanDerWaalsContact CE3-CD 3.49Å; W465-P470 HydrophobicContact CE3-CG 4.3Å; W465-P470 HydrophobicContact CH2-CG 4.14Å; W465-P470 HydrophobicContact CZ2-CG 4.19Å; W465-P470 HydrophobicContact CZ3-CG 4.2Å; P470-W472 HydrophobicContact CG-CD2 4.4Å; P470-W472 HydrophobicContact CG-CE3 4.47Å; P470-W472 HydrophobicContact CG-CH2 3.74Å; P470-W472 HydrophobicContact CG-CZ2 3.71Å; P470-W472 HydrophobicContact CG-CZ3 4.16Å; P470-W472 PolarHBondContact O-N 3.37Å
471	P	69.1	Low	81.1	Confident	66 Å²	66	62.8 Å²	62.8	43%	0.429	34%	0.337	S	S	.	.			trans	-64.4	114.6	166.1	27.4	-30.8	0	0	0	107.3	D473 K476	P471-D473 PolarHBondContact O-N 2.97Å; P471-K476 HydrophobicContact CG-CD 4.06Å
472	W	79.4	Confident	81.3	Confident	94 Å²	94	61.4 Å²	61.4	36%	0.356	33%	0.331	S	S	.	.			trans	-69.5	49	175.5	-64.5	115.1	0	0	0	112.5	I421 E423 A426 P470	I421-W472 HydrophobicContact CB-CB 4.39Å; I421-W472 HydrophobicContact CB-CE3 4.17Å; I421-W472 HydrophobicContact CG2-CD2 4.47Å; I421-W472 HydrophobicContact CG2-CE3 3.49Å; I421-W472 VanDerWaalsContact CG2-CE3 3.49Å; I421-W472 HydrophobicContact CG2-CZ3 4Å; I421-W472 VanDerWaalsContact O-CB 3.25Å; I421-W472 WeakPolarHBondContact O-CB 3.48Å; E423-W472 VanDerWaalsContact CA-CZ2 3.43Å; E423-W472 HydrophobicContact CB-CH2 3.73Å; E423-W472 HydrophobicContact CB-CZ2 3.53Å; E423-W472 HydrophobicContact CG-CH2 4.09Å; E423-W472 HydrophobicContact CG-CZ2 4.13Å; E423-W472 VanDerWaalsContact N-CZ2 3.33Å; A426-W472 HydrophobicContact CB-CE3 4.43Å; A426-W472 HydrophobicContact CB-CH2 4.04Å; A426-W472 HydrophobicContact CB-CZ3 3.45Å; A426-W472 VanDerWaalsContact CB-CZ3 3.45Å; P470-W472 HydrophobicContact CG-CD2 4.4Å; P470-W472 HydrophobicContact CG-CE3 4.47Å; P470-W472 HydrophobicContact CG-CH2 3.74Å; P470-W472 HydrophobicContact CG-CZ2 3.71Å; P470-W472 HydrophobicContact CG-CZ3 4.16Å; P470-W472 PolarHBondContact O-N 3.37Å
473	D	85.4	Confident	81.5	Confident	69 Å²	69	64.9 Å²	64.9	37%	0.369	34%	0.344	S	S	.	.			trans	-84.7	124.4	175.5	178.1	-90.6	0	0	0	109.6	P471 T475 K476 F477	P471-D473 PolarHBondContact O-N 2.97Å; D473-T475 VanDerWaalsContact C-N 3.28Å; D473-T475 PolarHBondContact O-N 3.19Å; D473-T475 WeakPolarHBondContact OD1-CA 3.47Å; D473-T475 VanDerWaalsContact OD1-CB 3.29Å; D473-T475 WeakPolarHBondContact OD1-CB 3.46Å; D473-T475 PolarHBondContact OD1-N 2.55Å; D473-K476 HydrophobicContact CB-CB 4.22Å; D473-K476 HydrophobicContact CB-CD 4.23Å; D473-K476 HydrophobicContact CB-CG 4.27Å; D473-K476 PolarHBondContact O-N 2.91Å; D473-K476 PolarHBondContact OD1-N 3.37Å; D473-F477 WeakPolarHBondContact O-CB 3.49Å; D473-F477 PolarHBondContact O-N 2.96Å
474	M	86.7	Confident	81.9	Confident	41 Å²	41	63.9 Å²	63.9	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-57.8	-39.8	-177.7	177.7	65	69.8	0	0	112.8	A410 F415 T419 I421 F477 V478	A410-M474 HydrophobicContact CB-SD 4.28Å; F415-M474 HydrophobicContact CB-CE 4.32Å; F415-M474 HydrophobicContact CB-SD 4.42Å; F415-M474 HydrophobicContact CD1-CE 3.74Å; F415-M474 HydrophobicContact CD1-SD 4.29Å; F415-M474 HydrophobicContact CD2-CE 4.39Å; F415-M474 HydrophobicContact CD2-SD 3.86Å; F415-M474 HydrophobicContact CE1-CE 4.09Å; F415-M474 HydrophobicContact CE2-SD 4.14Å; F415-M474 HydrophobicContact CG-CE 3.9Å; F415-M474 HydrophobicContact CG-SD 3.94Å; F415-M474 HydrophobicContact CZ-SD 4.46Å; T419-M474 WeakPolarHBondContact O-CE 3.21Å; I421-M474 HydrophobicContact CD1-CB 4.19Å; I421-M474 HydrophobicContact CD1-CE 3.79Å; I421-M474 HydrophobicContact CD1-SD 3.65Å; I421-M474 HydrophobicContact CG1-CE 3.56Å; I421-M474 HydrophobicContact CG1-SD 4.13Å; M474-F477 PolarHBondContact O-N 2.83Å; M474-V478 HydrophobicContact CG-CG2 4.46Å; M474-V478 WeakPolarHBondContact O-CB 3.27Å; M474-V478 VanDerWaalsContact O-CG2 3.26Å; M474-V478 WeakPolarHBondContact O-CG2 3.44Å; M474-V478 PolarHBondContact O-N 3.2Å; M474-V478 HydrophobicContact SD-CG2 3.96Å
475	T	86.8	Confident	83	Confident	87 Å²	87	59.2 Å²	59.2	53%	0.534	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-47.6	-177.1	-55.6	0	0	0	0	110.7	D473 F477 V478 Q479	D473-T475 VanDerWaalsContact C-N 3.28Å; D473-T475 PolarHBondContact O-N 3.19Å; D473-T475 WeakPolarHBondContact OD1-CA 3.47Å; D473-T475 VanDerWaalsContact OD1-CB 3.29Å; D473-T475 WeakPolarHBondContact OD1-CB 3.46Å; D473-T475 PolarHBondContact OD1-N 2.55Å; T475-F477 VanDerWaalsContact C-N 3.31Å; T475-F477 PolarHBondContact O-N 3.42Å; T475-V478 PolarHBondContact O-N 2.84Å; T475-Q479 WeakPolarHBondContact O-CB 3.49Å; T475-Q479 VanDerWaalsContact O-CG 3.28Å; T475-Q479 WeakPolarHBondContact O-CG 3.17Å; T475-Q479 PolarHBondContact O-N 3Å
476	K	87.4	Confident	84.4	Confident	117 Å²	117	55.4 Å²	55.4	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-39.1	176.8	-69.5	-177.9	-179.6	178.8	0	111.8	P471 D473 Q479 A480	P471-K476 HydrophobicContact CG-CD 4.06Å; D473-K476 HydrophobicContact CB-CB 4.22Å; D473-K476 HydrophobicContact CB-CD 4.23Å; D473-K476 HydrophobicContact CB-CG 4.27Å; D473-K476 PolarHBondContact O-N 2.91Å; D473-K476 PolarHBondContact OD1-N 3.37Å; K476-Q479 PolarHBondContact O-N 3.16Å; K476-A480 PolarHBondContact O-N 2.96Å
477	F	89.8	Confident	85.6	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-48	177.4	-177.3	-106.1	0	0	0	112	F415 I421 A426 K429 L459 L463 D473 M474 T475 Q479 A480 L481	F415-F477 HydrophobicContact CE2-CD1 4.28Å; F415-F477 HydrophobicContact CE2-CE1 4.13Å; F415-F477 HydrophobicContact CZ-CD1 4.19Å; F415-F477 AromaticContact CZ-CE1 3.85Å; F415-F477 HydrophobicContact CZ-CE1 3.85Å; I421-F477 HydrophobicContact CD1-CB 3.39Å; I421-F477 HydrophobicContact CD1-CD1 3.31Å; I421-F477 HydrophobicContact CD1-CE1 4.23Å; I421-F477 HydrophobicContact CD1-CG 3.48Å; I421-F477 VanDerWaalsContact CD1-CG 3.48Å; I421-F477 HydrophobicContact CG2-CD1 4.44Å; I421-F477 HydrophobicContact CG2-CG 4.38Å; A426-F477 VanDerWaalsContact CA-CZ 3.46Å; A426-F477 HydrophobicContact CB-CD2 4.24Å; A426-F477 HydrophobicContact CB-CE2 3.43Å; A426-F477 VanDerWaalsContact CB-CE2 3.43Å; A426-F477 HydrophobicContact CB-CZ 3.65Å; K429-F477 HydrophobicContact CB-CE1 4.34Å; K429-F477 HydrophobicContact CB-CZ 4.27Å; L459-F477 HydrophobicContact CD2-CE2 3.82Å; L459-F477 HydrophobicContact CD2-CZ 4.48Å; L463-F477 HydrophobicContact CD1-CD2 4.2Å; L463-F477 HydrophobicContact CD1-CE2 4.34Å; L463-F477 HydrophobicContact CD2-CD2 4.03Å; D473-F477 WeakPolarHBondContact O-CB 3.49Å; D473-F477 PolarHBondContact O-N 2.96Å; M474-F477 PolarHBondContact O-N 2.83Å; T475-F477 VanDerWaalsContact C-N 3.31Å; T475-F477 PolarHBondContact O-N 3.42Å; F477-Q479 VanDerWaalsContact C-N 3.29Å; F477-Q479 PolarHBondContact O-N 3.34Å; F477-A480 WeakPolarHBondContact O-CB 3.45Å; F477-A480 PolarHBondContact O-N 2.93Å; F477-L481 HydrophobicContact CD1-CD1 4.1Å; F477-L481 HydrophobicContact CD1-CG 4.25Å; F477-L481 HydrophobicContact CE1-CD1 3.47Å; F477-L481 VanDerWaalsContact CE1-CD1 3.47Å; F477-L481 HydrophobicContact CE1-CD2 4.19Å; F477-L481 HydrophobicContact CE1-CG 3.84Å; F477-L481 HydrophobicContact CE2-CD2 4.12Å; F477-L481 HydrophobicContact CE2-CG 4.42Å; F477-L481 HydrophobicContact CZ-CD1 3.87Å; F477-L481 HydrophobicContact CZ-CD2 3.73Å; F477-L481 HydrophobicContact CZ-CG 3.91Å; F477-L481 PolarHBondContact O-N 2.92Å
478	V	90.3	Very high	86.8	Confident	11 Å²	11	42 Å²	42	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-43.1	175.2	169.9	0	0	0	0	110.6	A410 Y413 M474 T475 A480 L481 Q482	A410-V478 HydrophobicContact CB-CG2 3.82Å; Y413-V478 HydrophobicContact CD2-CG1 4.15Å; Y413-V478 HydrophobicContact CE2-CG1 4.02Å; M474-V478 HydrophobicContact CG-CG2 4.46Å; M474-V478 WeakPolarHBondContact O-CB 3.27Å; M474-V478 VanDerWaalsContact O-CG2 3.26Å; M474-V478 WeakPolarHBondContact O-CG2 3.44Å; M474-V478 PolarHBondContact O-N 3.2Å; M474-V478 HydrophobicContact SD-CG2 3.96Å; T475-V478 PolarHBondContact O-N 2.84Å; V478-A480 VanDerWaalsContact C-N 3.29Å; V478-A480 PolarHBondContact O-N 2.97Å; V478-L481 PolarHBondContact O-N 3.4Å; V478-L481 VanDerWaalsContact O-N 3.17Å; V478-Q482 HydrophobicContact CG1-CG 4.27Å; V478-Q482 VanDerWaalsContact O-CG 3.24Å; V478-Q482 WeakPolarHBondContact O-CG 3.22Å; V478-Q482 PolarHBondContact O-N 3.1Å
479	Q	91.7	Very high	88.1	Confident	85 Å²	85	37.3 Å²	37.3	40%	0.397	19%	0.188	S	C	.	.	H	α-helix	trans	-61.1	-35.6	175.1	-73.9	172.5	-3.9	0	0	113.4	T475 K476 F477 R483	T475-Q479 WeakPolarHBondContact O-CB 3.49Å; T475-Q479 VanDerWaalsContact O-CG 3.28Å; T475-Q479 WeakPolarHBondContact O-CG 3.17Å; T475-Q479 PolarHBondContact O-N 3Å; K476-Q479 PolarHBondContact O-N 3.16Å; F477-Q479 VanDerWaalsContact C-N 3.29Å; F477-Q479 PolarHBondContact O-N 3.34Å; Q479-R483 WeakPolarHBondContact O-CG 3.29Å; Q479-R483 PolarHBondContact O-N 2.95Å; Q479-R483 VanDerWaalsContact O-N 3.14Å
480	A	92.1	Very high	89.6	Confident	7 Å²	7	36.8 Å²	36.8	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-42.1	174.6	0	0	0	0	0	111.4	L463 K476 F477 V478 R483 M484	L463-A480 HydrophobicContact CD2-CB 3.46Å; L463-A480 VanDerWaalsContact CD2-CB 3.46Å; L463-A480 HydrophobicContact CG-CB 4.21Å; K476-A480 PolarHBondContact O-N 2.96Å; F477-A480 WeakPolarHBondContact O-CB 3.45Å; F477-A480 PolarHBondContact O-N 2.93Å; V478-A480 VanDerWaalsContact C-N 3.29Å; V478-A480 PolarHBondContact O-N 2.97Å; A480-R483 PolarHBondContact O-N 2.9Å; A480-M484 VanDerWaalsContact O-CB 3.31Å; A480-M484 WeakPolarHBondContact O-CB 3.23Å; A480-M484 PolarHBondContact O-N 3.02Å
481	L	93.2	Very high	90.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-44.4	174.6	-63.2	-168.7	0	0	0	112.1	Y413 K429 I433 F477 V478 R483 M484 E485	Y413-L481 HydrophobicContact CD1-CB 4.36Å; Y413-L481 HydrophobicContact CD1-CD1 3.86Å; Y413-L481 HydrophobicContact CD2-CD1 4.32Å; Y413-L481 HydrophobicContact CE1-CB 4.01Å; Y413-L481 HydrophobicContact CE1-CD1 4.34Å; Y413-L481 HydrophobicContact CE2-CB 4.24Å; Y413-L481 HydrophobicContact CG-CD1 3.86Å; K429-L481 HydrophobicContact CB-CD1 4.15Å; I433-L481 HydrophobicContact CD1-CB 3.99Å; I433-L481 HydrophobicContact CD1-CD1 4.11Å; I433-L481 HydrophobicContact CD1-CD2 3.9Å; I433-L481 HydrophobicContact CD1-CG 4.21Å; F477-L481 HydrophobicContact CD1-CD1 4.1Å; F477-L481 HydrophobicContact CD1-CG 4.25Å; F477-L481 HydrophobicContact CE1-CD1 3.47Å; F477-L481 VanDerWaalsContact CE1-CD1 3.47Å; F477-L481 HydrophobicContact CE1-CD2 4.19Å; F477-L481 HydrophobicContact CE1-CG 3.84Å; F477-L481 HydrophobicContact CE2-CD2 4.12Å; F477-L481 HydrophobicContact CE2-CG 4.42Å; F477-L481 HydrophobicContact CZ-CD1 3.87Å; F477-L481 HydrophobicContact CZ-CD2 3.73Å; F477-L481 HydrophobicContact CZ-CG 3.91Å; F477-L481 PolarHBondContact O-N 2.92Å; V478-L481 PolarHBondContact O-N 3.4Å; V478-L481 VanDerWaalsContact O-N 3.17Å; L481-R483 VanDerWaalsContact C-N 3.31Å; L481-R483 PolarHBondContact O-N 3.15Å; L481-M484 HydrophobicContact CD2-CE 4.16Å; L481-M484 PolarHBondContact O-N 2.78Å; L481-E485 VanDerWaalsContact O-CB 3.27Å; L481-E485 WeakPolarHBondContact O-CB 3.46Å; L481-E485 PolarHBondContact O-N 2.82Å
482	Q	94.6	Very high	92.1	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-54.8	-47.2	176	-70.7	171.9	-18.5	0	0	111.2	V403 W405 A406 K408 Y413 V478 S486	V403-Q482 HydrophobicContact CG1-CB 3.89Å; W405-Q482 HydrophobicContact CB-CB 4.42Å; W405-Q482 VanDerWaalsContact O-CG 3.3Å; W405-Q482 WeakPolarHBondContact O-CG 3.42Å; A406-Q482 PolarHBondContact O-NE2 2.86Å; K408-Q482 PolarHBondContact O-NE2 3.44Å; Y413-Q482 HydrophobicContact CE2-CG 4.18Å; Y413-Q482 WeakPolarHBondContact OH-CA 3.32Å; V478-Q482 HydrophobicContact CG1-CG 4.27Å; V478-Q482 VanDerWaalsContact O-CG 3.24Å; V478-Q482 WeakPolarHBondContact O-CG 3.22Å; V478-Q482 PolarHBondContact O-N 3.1Å; Q482-S486 VanDerWaalsContact O-CB 3.26Å; Q482-S486 WeakPolarHBondContact O-CB 3.1Å; Q482-S486 PolarHBondContact O-N 3.08Å; Q482-S486 PolarHBondContact O-OG 3.3Å
483	R	94.5	Very high	92.8	Very high	95 Å²	95	28.7 Å²	28.7	36%	0.358	14%	0.139	S	C	.	.	H	α-helix	trans	-65.9	-47.3	177.8	-72	178	-174	177.5	3.4	112.2	V403 Y462 Q479 A480 L481 E485 S486 D487	V403-R483 HydrophobicContact CG1-CG 4.22Å; V403-R483 HydrophobicContact CG2-CG 3.87Å; Y462-R483 HydrophobicContact CD1-CB 3.88Å; Y462-R483 HydrophobicContact CE1-CB 3.93Å; Q479-R483 WeakPolarHBondContact O-CG 3.29Å; Q479-R483 PolarHBondContact O-N 2.95Å; Q479-R483 VanDerWaalsContact O-N 3.14Å; A480-R483 PolarHBondContact O-N 2.9Å; L481-R483 VanDerWaalsContact C-N 3.31Å; L481-R483 PolarHBondContact O-N 3.15Å; R483-E485 PolarHBondContact O-N 3.48Å; R483-S486 PolarHBondContact O-N 3.35Å; R483-D487 WeakPolarHBondContact O-CB 3.38Å; R483-D487 PolarHBondContact O-N 2.94Å
484	M	94.7	Very high	93.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-58.4	-49.9	-179.6	-174	-178.6	79.7	0	0	111.7	A430 I433 A458 Y462 A480 L481 D487 I488 W638	A430-M484 HydrophobicContact CB-CE 4.18Å; I433-M484 HydrophobicContact CB-CE 3.6Å; I433-M484 HydrophobicContact CD1-CE 3.72Å; I433-M484 HydrophobicContact CG1-CE 4.28Å; I433-M484 HydrophobicContact CG2-CE 3.52Å; A458-M484 HydrophobicContact CB-SD 3.76Å; Y462-M484 HydrophobicContact CD1-CB 4.12Å; Y462-M484 HydrophobicContact CD2-CB 3.73Å; Y462-M484 HydrophobicContact CD2-CG 3.67Å; Y462-M484 HydrophobicContact CD2-SD 4.25Å; Y462-M484 HydrophobicContact CE1-CB 4.19Å; Y462-M484 HydrophobicContact CE2-CB 3.83Å; Y462-M484 HydrophobicContact CE2-CG 3.62Å; Y462-M484 HydrophobicContact CG-CB 3.9Å; Y462-M484 HydrophobicContact CG-CG 4.34Å; A480-M484 VanDerWaalsContact O-CB 3.31Å; A480-M484 WeakPolarHBondContact O-CB 3.23Å; A480-M484 PolarHBondContact O-N 3.02Å; L481-M484 HydrophobicContact CD2-CE 4.16Å; L481-M484 PolarHBondContact O-N 2.78Å; M484-D487 PolarHBondContact O-N 3.44Å; M484-I488 HydrophobicContact CG-CD1 4.05Å; M484-I488 WeakPolarHBondContact O-CD1 3.44Å; M484-I488 VanDerWaalsContact O-CG1 3.23Å; M484-I488 WeakPolarHBondContact O-CG1 3.24Å; M484-I488 PolarHBondContact O-N 3.13Å; M484-W638 HydrophobicContact CG-CZ2 3.77Å; M484-W638 HydrophobicContact SD-CZ2 4.38Å
485	E	94.7	Very high	93.6	Very high	14 Å²	14	23.6 Å²	23.6	7%	0.065	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-42	178.8	-168	-176.9	-161	0	0	111.6	K408 Y413 I433 L481 R483 D487 I488 E489	K408-E485 IonicContact NZ-OE1 2.7Å; K408-E485 PolarHBondContact NZ-OE1 2Å; K408-E485 IonicContact NZ-OE2 3.67Å; K408-E485 PolarHBondContact NZ-OE2 2.74Å; Y413-E485 VanDerWaalsContact CE1-OE2 3.24Å; Y413-E485 WeakPolarHBondContact CE1-OE2 3.19Å; Y413-E485 PolarHBondContact OH-OE2 3.47Å; I433-E485 HydrophobicContact CG2-CB 4.01Å; I433-E485 HydrophobicContact CG2-CG 4.08Å; L481-E485 VanDerWaalsContact O-CB 3.27Å; L481-E485 WeakPolarHBondContact O-CB 3.46Å; L481-E485 PolarHBondContact O-N 2.82Å; R483-E485 PolarHBondContact O-N 3.48Å; E485-D487 VanDerWaalsContact C-N 3.31Å; E485-D487 PolarHBondContact O-N 3Å; E485-I488 PolarHBondContact O-N 3.35Å; E485-E489 WeakPolarHBondContact O-CB 2.99Å; E485-E489 WeakPolarHBondContact O-CG 3.41Å; E485-E489 PolarHBondContact O-N 2.82Å
486	S	96.3	Very high	93.8	Very high	2 Å²	2	22 Å²	22	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-41.7	176.2	-57.6	0	0	0	0	111.9	E404 W405 Q482 R483 F490 T491	E404-S486 PolarHBondContact N-OG 2.87Å; W405-S486 PolarHBondContact N-OG 3.01Å; Q482-S486 VanDerWaalsContact O-CB 3.26Å; Q482-S486 WeakPolarHBondContact O-CB 3.1Å; Q482-S486 PolarHBondContact O-N 3.08Å; Q482-S486 PolarHBondContact O-OG 3.3Å; R483-S486 PolarHBondContact O-N 3.35Å; S486-F490 WeakPolarHBondContact O-CB 3.31Å; S486-F490 PolarHBondContact O-N 3.31Å; S486-T491 PolarHBondContact O-N 2.95Å
487	D	96.1	Very high	94	Very high	9 Å²	9	16.4 Å²	16.4	5%	0.048	7%	0.074	C	C	.	.	I	π-helix	trans	-70.1	-39	179.3	-76.9	-21.5	0	0	0	112.4	Y462 R483 M484 E485 T491 A492 H634 A635	Y462-D487 WeakPolarHBondContact CE1-OD2 3.29Å; Y462-D487 WeakPolarHBondContact OH-CB 3.41Å; Y462-D487 PolarHBondContact OH-OD2 2.99Å; R483-D487 WeakPolarHBondContact O-CB 3.38Å; R483-D487 PolarHBondContact O-N 2.94Å; M484-D487 PolarHBondContact O-N 3.44Å; E485-D487 VanDerWaalsContact C-N 3.31Å; E485-D487 PolarHBondContact O-N 3Å; D487-T491 WeakPolarHBondContact OD1-CB 3.04Å; D487-T491 PolarHBondContact OD1-OG1 2.77Å; D487-A492 WeakPolarHBondContact O-CB 3.38Å; D487-A492 PolarHBondContact O-N 2.9Å; D487-H634 WeakPolarHBondContact OD2-CB 3.43Å; D487-A635 HydrophobicContact CB-CB 4.2Å
488	I	94.9	Very high	94.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	I	π-helix	trans	-64.9	-44.7	176.3	-65.5	161.6	0	0	0	110.9	I433 S437 F438 M484 E485 P493 W638	I433-I488 HydrophobicContact CG2-CD1 3.88Å; S437-I488 WeakPolarHBondContact O-CG2 3.37Å; F438-I488 HydrophobicContact CB-CD1 4.5Å; F438-I488 HydrophobicContact CB-CG2 3.86Å; M484-I488 HydrophobicContact CG-CD1 4.05Å; M484-I488 WeakPolarHBondContact O-CD1 3.44Å; M484-I488 VanDerWaalsContact O-CG1 3.23Å; M484-I488 WeakPolarHBondContact O-CG1 3.24Å; M484-I488 PolarHBondContact O-N 3.13Å; E485-I488 PolarHBondContact O-N 3.35Å; I488-P493 VanDerWaalsContact O-CD 3.23Å; I488-P493 WeakPolarHBondContact O-CD 3.34Å; I488-P493 WeakPolarHBondContact O-CG 3.48Å; I488-W638 HydrophobicContact CD1-CD2 4.39Å; I488-W638 HydrophobicContact CD1-CH2 3.67Å; I488-W638 HydrophobicContact CD1-CZ2 3.47Å; I488-W638 VanDerWaalsContact CD1-CZ2 3.47Å; I488-W638 HydrophobicContact CD1-CZ3 4.2Å; I488-W638 HydrophobicContact CG1-CD2 3.6Å; I488-W638 HydrophobicContact CG1-CE3 4.04Å; I488-W638 HydrophobicContact CG1-CG 4.12Å; I488-W638 HydrophobicContact CG1-CH2 3.97Å; I488-W638 HydrophobicContact CG1-CZ2 3.51Å; I488-W638 HydrophobicContact CG1-CZ3 4.21Å
489	E	95	Very high	94.1	Very high	28 Å²	28	17.6 Å²	17.6	13%	0.131	8%	0.08	C	C	.	.	I	π-helix	trans	-86.7	-27.1	-168.9	-68.5	-175.9	170.7	0	0	113.7	W269 W405 S437 E485	W269-E489 PolarHBondContact NE1-O 3.05Å; W405-E489 VanDerWaalsContact CE2-OE2 3.31Å; W405-E489 WeakPolarHBondContact CZ2-OE2 3.36Å; W405-E489 PolarHBondContact NE1-OE2 2.9Å; S437-E489 VanDerWaalsContact CB-OE1 3.32Å; S437-E489 WeakPolarHBondContact CB-OE1 3.02Å; S437-E489 PolarHBondContact OG-OE1 2.86Å; E485-E489 WeakPolarHBondContact O-CB 2.99Å; E485-E489 WeakPolarHBondContact O-CG 3.41Å; E485-E489 PolarHBondContact O-N 2.82Å
490	F	97.4	Very high	93.9	Very high	8 Å²	8	14.8 Å²	14.8	4%	0.035	7%	0.068	C	C	.	.	I	π-helix	trans	-129.2	-57.4	-172	-58.6	-84.7	0	0	0	112.4	S262 W269 V400 E404 W405 S486 P493 M494 H551	S262-F490 WeakPolarHBondContact O-CD1 3.47Å; S262-F490 VanDerWaalsContact O-CE1 3.27Å; S262-F490 WeakPolarHBondContact O-CE1 3.29Å; W269-F490 AromaticContact CE2-CE1 3.99Å; W269-F490 AromaticContact CZ2-CD1 3.9Å; W269-F490 HydrophobicContact CZ2-CD1 3.9Å; W269-F490 AromaticContact CZ2-CE1 3.59Å; W269-F490 HydrophobicContact CZ2-CE1 3.59Å; W269-F490 HydrophobicContact CZ2-CZ 4.45Å; V400-F490 HydrophobicContact CG1-CB 3.89Å; E404-F490 HydrophobicContact CB-CD2 3.67Å; E404-F490 HydrophobicContact CB-CE2 3.92Å; E404-F490 HydrophobicContact CB-CG 4.28Å; E404-F490 HydrophobicContact CG-CB 3.8Å; E404-F490 HydrophobicContact CG-CD1 4.41Å; E404-F490 HydrophobicContact CG-CD2 3.56Å; E404-F490 HydrophobicContact CG-CE2 4.22Å; E404-F490 HydrophobicContact CG-CG 3.66Å; W405-F490 AromaticContact CE2-CE2 3.72Å; W405-F490 HydrophobicContact CH2-CZ 4.48Å; W405-F490 AromaticContact CZ2-CE2 3.67Å; W405-F490 HydrophobicContact CZ2-CE2 3.67Å; W405-F490 AromaticContact CZ2-CZ 3.89Å; W405-F490 HydrophobicContact CZ2-CZ 3.89Å; W405-F490 AromaticContact NE1-CE2 3.7Å; S486-F490 WeakPolarHBondContact O-CB 3.31Å; S486-F490 PolarHBondContact O-N 3.31Å; F490-P493 WeakPolarHBondContact O-CD 3.31Å; F490-M494 WeakPolarHBondContact O-CB 3.49Å; F490-M494 PolarHBondContact O-N 3.11Å; F490-H551 AromaticContact CE1-CE1 3.44Å; F490-H551 VanDerWaalsContact CE1-CE1 3.44Å; F490-H551 WeakPolarHBondContact CE1-CE1 3.3Å; F490-H551 AromaticContact CE1-ND1 3.91Å; F490-H551 AromaticContact CZ-CE1 3.7Å; F490-H551 AromaticContact CZ-ND1 3.98Å
491	T	96.7	Very high	93.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.065	C	C	.	.	I	π-helix	trans	-65.3	-49.1	-172.4	-43.4	0	0	0	0	112.2	S486 D487 M494 L495 W632 A635	S486-T491 PolarHBondContact O-N 2.95Å; D487-T491 WeakPolarHBondContact OD1-CB 3.04Å; D487-T491 PolarHBondContact OD1-OG1 2.77Å; T491-M494 HydrophobicContact CG2-CE 4.26Å; T491-M494 WeakPolarHBondContact O-CB 3.43Å; T491-M494 PolarHBondContact O-N 3.38Å; T491-L495 HydrophobicContact CG2-CD1 4.25Å; T491-L495 VanDerWaalsContact O-CG 3.27Å; T491-L495 WeakPolarHBondContact O-CG 3.46Å; T491-L495 PolarHBondContact O-N 2.76Å; T491-W632 HydrophobicContact CG2-CE3 3.51Å; T491-W632 HydrophobicContact CG2-CZ3 3.68Å; T491-A635 HydrophobicContact CG2-CB 3.32Å
492	A	95.6	Very high	93.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-44.1	-177.8	0	0	0	0	0	112.3	D487 L495 K496 A635 W638 N639	D487-A492 WeakPolarHBondContact O-CB 3.38Å; D487-A492 PolarHBondContact O-N 2.9Å; A492-L495 PolarHBondContact O-N 3.18Å; A492-K496 WeakPolarHBondContact O-CB 3.23Å; A492-K496 PolarHBondContact O-N 3.12Å; A492-A635 HydrophobicContact CB-CB 4.24Å; A492-W638 HydrophobicContact CB-CB 3.88Å; A492-N639 PolarHBondContact O-ND2 3.17Å
493	P	94.9	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.5	-45.4	169.6	-29.1	37.6	0	0	0	113.5	T266 A267 Y441 I488 F490 L495 K496 E497	T266-P493 VanDerWaalsContact OG1-C 3.28Å; T266-P493 VanDerWaalsContact OG1-CA 3.26Å; T266-P493 WeakPolarHBondContact OG1-CA 3.48Å; T266-P493 VanDerWaalsContact OG1-CB 3.31Å; T266-P493 WeakPolarHBondContact OG1-CB 3.33Å; T266-P493 PolarHBondContact OG1-O 2.52Å; A267-P493 HydrophobicContact CB-CB 3.77Å; A267-P493 HydrophobicContact CB-CG 3.86Å; Y441-P493 HydrophobicContact CD2-CG 4.02Å; Y441-P493 HydrophobicContact CE2-CB 4.24Å; Y441-P493 HydrophobicContact CE2-CG 3.87Å; I488-P493 VanDerWaalsContact O-CD 3.23Å; I488-P493 WeakPolarHBondContact O-CD 3.34Å; I488-P493 WeakPolarHBondContact O-CG 3.48Å; F490-P493 WeakPolarHBondContact O-CD 3.31Å; P493-L495 PolarHBondContact O-N 2.57Å; P493-K496 WeakPolarHBondContact O-CB 3.34Å; P493-K496 PolarHBondContact O-N 3.47Å; P493-E497 PolarHBondContact O-N 3.15Å
494	M	95.4	Very high	93.1	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-56.5	-48.9	176.5	-178.6	-158.9	65.5	0	0	111.7	I398 G399 V400 F490 T491 K496 E497 I498 L510 W632	I398-M494 HydrophobicContact CD1-CB 4.36Å; I398-M494 HydrophobicContact CD1-CG 3.5Å; I398-M494 VanDerWaalsContact CD1-CG 3.5Å; I398-M494 HydrophobicContact CG1-CG 3.55Å; I398-M494 HydrophobicContact CG1-SD 4.27Å; G399-M494 VanDerWaalsContact CA-SD 3.59Å; V400-M494 HydrophobicContact CB-SD 4.41Å; V400-M494 HydrophobicContact CG1-CB 4.39Å; V400-M494 HydrophobicContact CG1-SD 3.78Å; V400-M494 HydrophobicContact CG2-CE 4.22Å; V400-M494 HydrophobicContact CG2-SD 4.06Å; F490-M494 WeakPolarHBondContact O-CB 3.49Å; F490-M494 PolarHBondContact O-N 3.11Å; T491-M494 HydrophobicContact CG2-CE 4.26Å; T491-M494 WeakPolarHBondContact O-CB 3.43Å; T491-M494 PolarHBondContact O-N 3.38Å; M494-K496 VanDerWaalsContact C-N 3.34Å; M494-K496 PolarHBondContact O-N 2.8Å; M494-E497 PolarHBondContact O-N 3.34Å; M494-E497 VanDerWaalsContact O-N 3.17Å; M494-I498 HydrophobicContact CE-CD1 4.2Å; M494-I498 HydrophobicContact CG-CD1 3.98Å; M494-I498 VanDerWaalsContact O-CG1 3.28Å; M494-I498 WeakPolarHBondContact O-CG1 3.36Å; M494-I498 PolarHBondContact O-N 2.68Å; M494-I498 HydrophobicContact SD-CD1 4.37Å; M494-L510 HydrophobicContact CE-CD1 3.67Å; M494-L510 HydrophobicContact SD-CD1 3.65Å; M494-W632 HydrophobicContact CE-CE3 4.23Å; M494-W632 HydrophobicContact CE-CH2 4.03Å; M494-W632 HydrophobicContact CE-CZ3 3.81Å
495	L	93.7	Very high	92.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-42	177.8	-66	173.3	0	0	0	111.7	T491 A492 P493 E497 I498 D499 W632 A635 E636	T491-L495 HydrophobicContact CG2-CD1 4.25Å; T491-L495 VanDerWaalsContact O-CG 3.27Å; T491-L495 WeakPolarHBondContact O-CG 3.46Å; T491-L495 PolarHBondContact O-N 2.76Å; A492-L495 PolarHBondContact O-N 3.18Å; P493-L495 PolarHBondContact O-N 2.57Å; L495-E497 VanDerWaalsContact C-N 3.28Å; L495-E497 PolarHBondContact O-N 3.06Å; L495-I498 HydrophobicContact CD2-CD1 4.47Å; L495-I498 PolarHBondContact O-N 2.9Å; L495-D499 PolarHBondContact O-N 2.82Å; L495-W632 HydrophobicContact CD1-CB 3.92Å; L495-W632 HydrophobicContact CD2-CB 4.23Å; L495-W632 HydrophobicContact CD2-CD2 4.12Å; L495-W632 HydrophobicContact CD2-CE3 4.37Å; L495-W632 HydrophobicContact CD2-CG 4.04Å; L495-A635 HydrophobicContact CD1-CB 3.66Å; L495-E636 HydrophobicContact CD1-CG 4.22Å
496	K	90.9	Very high	92.5	Very high	53 Å²	53	26.4 Å²	26.4	23%	0.23	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-39.6	174.8	-178.8	171.3	177.7	177.4	0	111.4	Y441 A492 P493 M494 L500	Y441-K496 HydrophobicContact CE2-CD 4.06Å; Y441-K496 WeakPolarHBondContact OH-CD 3.46Å; A492-K496 WeakPolarHBondContact O-CB 3.23Å; A492-K496 PolarHBondContact O-N 3.12Å; P493-K496 WeakPolarHBondContact O-CB 3.34Å; P493-K496 PolarHBondContact O-N 3.47Å; M494-K496 VanDerWaalsContact C-N 3.34Å; M494-K496 PolarHBondContact O-N 2.8Å; K496-L500 VanDerWaalsContact O-CG 3.32Å; K496-L500 WeakPolarHBondContact O-CG 3.47Å
497	E	92.1	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-42	174.9	-173.6	165.8	178.8	0	0	112.4	S243 S264 T266 P493 M494 L495 D499 L500 Y501	S243-E497 WeakPolarHBondContact CB-OE1 3.38Å; S243-E497 PolarHBondContact OG-OE1 3.19Å; S243-E497 PolarHBondContact OG-OE2 3.08Å; S264-E497 WeakPolarHBondContact CA-OE2 3.48Å; S264-E497 WeakPolarHBondContact CB-OE2 3.32Å; S264-E497 PolarHBondContact OG-OE2 2.84Å; T266-E497 HydrophobicContact CG2-CB 4.04Å; P493-E497 PolarHBondContact O-N 3.15Å; M494-E497 PolarHBondContact O-N 3.34Å; M494-E497 VanDerWaalsContact O-N 3.17Å; L495-E497 VanDerWaalsContact C-N 3.28Å; L495-E497 PolarHBondContact O-N 3.06Å; E497-D499 VanDerWaalsContact C-N 3.34Å; E497-D499 PolarHBondContact O-N 3.42Å; E497-L500 VanDerWaalsContact O-CB 3.3Å; E497-L500 WeakPolarHBondContact O-CB 3.32Å; E497-L500 PolarHBondContact O-N 3.16Å; E497-L500 VanDerWaalsContact O-N 3.11Å; E497-Y501 HydrophobicContact CG-CD2 4.01Å; E497-Y501 HydrophobicContact CG-CE2 3.8Å; E497-Y501 WeakPolarHBondContact O-CD2 3.31Å; E497-Y501 PolarHBondContact O-N 3.17Å
498	I	92.6	Very high	92.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-46.6	177.6	-71.3	166.2	0	0	0	111.4	I398 M494 L495 L500 Y501 L502 V508 L510 M608	I398-I498 HydrophobicContact CD1-CG1 4.32Å; I398-I498 HydrophobicContact CG2-CD1 3.86Å; I398-I498 HydrophobicContact CG2-CG1 3.75Å; M494-I498 HydrophobicContact CE-CD1 4.2Å; M494-I498 HydrophobicContact CG-CD1 3.98Å; M494-I498 VanDerWaalsContact O-CG1 3.28Å; M494-I498 WeakPolarHBondContact O-CG1 3.36Å; M494-I498 PolarHBondContact O-N 2.68Å; M494-I498 HydrophobicContact SD-CD1 4.37Å; L495-I498 HydrophobicContact CD2-CD1 4.47Å; L495-I498 PolarHBondContact O-N 2.9Å; I498-L500 PolarHBondContact O-N 3.03Å; I498-L500 VanDerWaalsContact O-N 3.16Å; I498-Y501 PolarHBondContact O-N 2.9Å; I498-Y501 VanDerWaalsContact O-N 3.1Å; I498-L502 HydrophobicContact CG2-CD1 3.77Å; I498-L502 HydrophobicContact CG2-CG 4.09Å; I498-L502 WeakPolarHBondContact O-CG 3.17Å; I498-L502 PolarHBondContact O-N 2.66Å; I498-V508 HydrophobicContact CG1-CG1 3.99Å; I498-V508 HydrophobicContact CG2-CG1 4.11Å; I498-L510 HydrophobicContact CD1-CD1 3.7Å; I498-L510 HydrophobicContact CD1-CD2 4.06Å; I498-L510 HydrophobicContact CD1-CG 4.31Å; I498-M608 HydrophobicContact CG2-CE 3.92Å; I498-M608 HydrophobicContact CG2-SD 3.83Å
499	D	89.9	Confident	92.5	Very high	39 Å²	39	29 Å²	29	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-55.6	-35	178.5	-77.3	-27.7	0	0	0	112.2	L495 E497 N503 H611 H612	L495-D499 PolarHBondContact O-N 2.82Å; E497-D499 VanDerWaalsContact C-N 3.34Å; E497-D499 PolarHBondContact O-N 3.42Å; D499-N503 WeakPolarHBondContact O-CB 3.44Å; D499-N503 PolarHBondContact O-N 2.93Å; D499-N503 PolarHBondContact O-ND2 3.07Å; D499-H611 IonicContact OD1-CE1 3.66Å; D499-H611 IonicContact OD1-CG 3.58Å; D499-H611 IonicContact OD1-ND1 2.8Å; D499-H611 PolarHBondContact OD1-ND1 3.1Å; D499-H612 IonicContact OD1-CD2 3.62Å; D499-H612 IonicContact OD1-CE1 3.95Å; D499-H612 IonicContact OD1-NE2 3.94Å; D499-H612 PolarHBondContact OD1-NE2 3.2Å; D499-H612 IonicContact OD2-CE1 3.11Å; D499-H612 IonicContact OD2-NE2 3.82Å
500	L	87.3	Confident	92.5	Very high	26 Å²	26	27.7 Å²	27.7	14%	0.136	15%	0.147	C	C	.	.	H	α-helix	trans	-69.1	-44	177.8	-63.1	168.7	0	0	0	112.7	T266 L388 K496 E497 I498 N503 N504	T266-L500 HydrophobicContact CG2-CD1 4.44Å; L388-L500 HydrophobicContact CB-CD1 3.42Å; L388-L500 VanDerWaalsContact CB-CD1 3.42Å; L388-L500 HydrophobicContact CB-CD2 3.87Å; L388-L500 HydrophobicContact CB-CG 4.26Å; L388-L500 HydrophobicContact CD1-CD1 4.27Å; L388-L500 HydrophobicContact CD2-CD1 3.56Å; L388-L500 HydrophobicContact CG-CD1 3.89Å; L388-L500 VanDerWaalsContact O-CB 3.26Å; L388-L500 WeakPolarHBondContact O-CB 3.33Å; K496-L500 VanDerWaalsContact O-CG 3.32Å; K496-L500 WeakPolarHBondContact O-CG 3.47Å; E497-L500 VanDerWaalsContact O-CB 3.3Å; E497-L500 WeakPolarHBondContact O-CB 3.32Å; E497-L500 PolarHBondContact O-N 3.16Å; E497-L500 VanDerWaalsContact O-N 3.11Å; I498-L500 PolarHBondContact O-N 3.03Å; I498-L500 VanDerWaalsContact O-N 3.16Å; L500-N503 PolarHBondContact O-N 3.3Å; L500-N504 PolarHBondContact O-N 3.25Å
501	Y	91.4	Very high	92.5	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-40.9	176.6	-83.9	-100.4	0	0	0	111.5	L247 V394 I396 E497 I498 N504 N505 Q506 V508	L247-Y501 HydrophobicContact CD2-CE2 3.95Å; V394-Y501 VanDerWaalsContact O-CE1 3.29Å; V394-Y501 WeakPolarHBondContact O-CE1 3.45Å; I396-Y501 HydrophobicContact CB-CE1 4.31Å; I396-Y501 HydrophobicContact CD1-CD1 3.86Å; I396-Y501 HydrophobicContact CD1-CD2 3.61Å; I396-Y501 HydrophobicContact CD1-CE1 4.05Å; I396-Y501 HydrophobicContact CD1-CE2 3.77Å; I396-Y501 HydrophobicContact CD1-CG 3.65Å; I396-Y501 HydrophobicContact CG1-CD1 3.86Å; I396-Y501 HydrophobicContact CG1-CE1 4.07Å; I396-Y501 HydrophobicContact CG1-CG 4.11Å; I396-Y501 HydrophobicContact CG2-CD1 3.99Å; I396-Y501 HydrophobicContact CG2-CE1 3.32Å; I396-Y501 HydrophobicContact CG2-CE2 4.38Å; E497-Y501 HydrophobicContact CG-CD2 4.01Å; E497-Y501 HydrophobicContact CG-CE2 3.8Å; E497-Y501 WeakPolarHBondContact O-CD2 3.31Å; E497-Y501 PolarHBondContact O-N 3.17Å; I498-Y501 PolarHBondContact O-N 2.9Å; I498-Y501 VanDerWaalsContact O-N 3.1Å; Y501-N504 CarbonylContact O-C 3.53Å; Y501-N504 PolarHBondContact O-N 2.54Å; Y501-N504 VanDerWaalsContact O-N 3.16Å; Y501-N505 PolarHBondContact O-N 3.46Å; Y501-Q506 HydrophobicContact CD1-CB 3.68Å; Y501-Q506 HydrophobicContact CD1-CG 4.06Å; Y501-Q506 HydrophobicContact CG-CB 4.38Å; Y501-Q506 WeakPolarHBondContact O-CB 3.49Å; Y501-Q506 PolarHBondContact O-N 2.98Å; Y501-V508 VanDerWaalsContact CB-CG2 3.47Å; Y501-V508 HydrophobicContact CG-CG2 4.33Å
502	L	89.6	Confident	92.5	Very high	26 Å²	26	27.3 Å²	27.3	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-42.1	177	-67.6	179.1	0	0	0	111.8	I498 N504 N505 V508 M608	I498-L502 HydrophobicContact CG2-CD1 3.77Å; I498-L502 HydrophobicContact CG2-CG 4.09Å; I498-L502 WeakPolarHBondContact O-CG 3.17Å; I498-L502 PolarHBondContact O-N 2.66Å; L502-N504 PolarHBondContact O-N 3.18Å; L502-N504 VanDerWaalsContact O-N 3.16Å; L502-N505 PolarHBondContact O-N 3.23Å; L502-V508 HydrophobicContact CD2-CB 4.36Å; L502-V508 HydrophobicContact CD2-CG2 4.1Å; L502-V508 HydrophobicContact CG-CG2 4.42Å; L502-M608 HydrophobicContact CD1-CE 4.4Å; L502-M608 HydrophobicContact CD2-CB 4.21Å
503	N	87.6	Confident	92.6	Very high	103 Å²	103	27.3 Å²	27.3	55%	0.551	15%	0.145	S	C	*	.	H	α-helix	trans	-61.2	-23.5	176.6	-72.6	-24.4	0	0	0	113.4	D499 L500	D499-N503 WeakPolarHBondContact O-CB 3.44Å; D499-N503 PolarHBondContact O-N 2.93Å; D499-N503 PolarHBondContact O-ND2 3.07Å; L500-N503 PolarHBondContact O-N 3.3Å
504	N	87.5	Confident	92.7	Very high	50 Å²	50	29 Å²	29	27%	0.267	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	16	177	-79	-20.5	0	0	0	114.2	S389 S392 L500 Y501 L502 Q506	S389-N504 VanDerWaalsContact C-ND2 3.31Å; S389-N504 VanDerWaalsContact O-CG 3.29Å; S389-N504 PolarHBondContact O-ND2 3.41Å; S389-N504 PolarHBondContact O-OD1 3.24Å; S389-N504 VanDerWaalsContact O-OD1 3.08Å; S392-N504 WeakPolarHBondContact OG-CB 3.44Å; S392-N504 PolarHBondContact OG-ND2 3.17Å; L500-N504 PolarHBondContact O-N 3.25Å; Y501-N504 CarbonylContact O-C 3.53Å; Y501-N504 PolarHBondContact O-N 2.54Å; Y501-N504 VanDerWaalsContact O-N 3.16Å; L502-N504 PolarHBondContact O-N 3.18Å; L502-N504 VanDerWaalsContact O-N 3.16Å; N504-Q506 HydrophobicContact CB-CG 4.31Å; N504-Q506 PolarHBondContact O-N 2.72Å; N504-Q506 VanDerWaalsContact O-N 3.17Å
505	N	88.3	Confident	92.7	Very high	156 Å²	156	29.2 Å²	29.2	83%	0.834	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.3	-178.9	-59.4	-47.6	0	0	0	113.5	Y501 L502	Y501-N505 PolarHBondContact O-N 3.46Å; L502-N505 PolarHBondContact O-N 3.23Å
506	Q	90.1	Very high	92.7	Very high	48 Å²	48	30.9 Å²	30.9	22%	0.224	16%	0.164	C	C	.	.			trans	-84.5	146.3	174.8	-65.9	-61.6	-30	0	0	110.9	S392 Y501 N504 V508	S392-Q506 VanDerWaalsContact O-CG 3.31Å; S392-Q506 WeakPolarHBondContact O-CG 3.32Å; S392-Q506 PolarHBondContact O-NE2 3.38Å; Y501-Q506 HydrophobicContact CD1-CB 3.68Å; Y501-Q506 HydrophobicContact CD1-CG 4.06Å; Y501-Q506 HydrophobicContact CG-CB 4.38Å; Y501-Q506 WeakPolarHBondContact O-CB 3.49Å; Y501-Q506 PolarHBondContact O-N 2.98Å; N504-Q506 HydrophobicContact CB-CG 4.31Å; N504-Q506 PolarHBondContact O-N 2.72Å; N504-Q506 VanDerWaalsContact O-N 3.17Å; Q506-V508 PolarHBondContact O-N 2.82Å
507	S	93.6	Very high	92.8	Very high	53 Å²	53	28.7 Å²	28.7	37%	0.371	16%	0.155	S	C	.	.			trans	-73.1	123.7	175.8	-52.9	0	0	0	0	110.7	P395 I396	P395-S507 WeakPolarHBondContact CA-O 3.49Å; I396-S507 PolarHBondContact N-O 2.92Å
508	V	95.7	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.2	177.3	-178.8	0	0	0	0	109.2	I396 I398 I498 Y501 L502 Q506 P607 M608	I396-V508 HydrophobicContact CD1-CG1 4.29Å; I396-V508 HydrophobicContact CD1-CG2 4.22Å; I396-V508 HydrophobicContact CG1-CB 4.37Å; I396-V508 HydrophobicContact CG1-CG1 4.2Å; I396-V508 HydrophobicContact CG1-CG2 3.99Å; I396-V508 WeakPolarHBondContact O-CA 2.82Å; I398-V508 HydrophobicContact CG2-CG1 3.82Å; I498-V508 HydrophobicContact CG1-CG1 3.99Å; I498-V508 HydrophobicContact CG2-CG1 4.11Å; Y501-V508 VanDerWaalsContact CB-CG2 3.47Å; Y501-V508 HydrophobicContact CG-CG2 4.33Å; L502-V508 HydrophobicContact CD2-CB 4.36Å; L502-V508 HydrophobicContact CD2-CG2 4.1Å; L502-V508 HydrophobicContact CG-CG2 4.42Å; Q506-V508 PolarHBondContact O-N 2.82Å; V508-P607 CarbonylContact O-C 3.18Å; V508-P607 WeakPolarHBondContact O-CA 3.42Å; V508-M608 HydrophobicContact CB-CB 4.47Å; V508-M608 HydrophobicContact CB-SD 4.35Å; V508-M608 HydrophobicContact CG1-SD 3.79Å; V508-M608 PolarHBondContact O-N 2.97Å
509	Y	96.8	Very high	92.6	Very high	13 Å²	13	34.5 Å²	34.5	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.9	171.8	-67	-87.4	0	0	0	109.3	I396 L397 I398 F589 G593 P595 W605 P607	I396-Y509 PolarHBondContact O-N 3.28Å; L397-Y509 WeakPolarHBondContact CA-O 3.08Å; I398-Y509 PolarHBondContact N-O 3.3Å; Y509-F589 HydrophobicContact CD2-CD2 4.1Å; Y509-F589 AromaticContact CD2-CE2 3.78Å; Y509-F589 HydrophobicContact CD2-CE2 3.78Å; Y509-F589 HydrophobicContact CE2-CD2 4.29Å; Y509-F589 HydrophobicContact CE2-CE2 4.04Å; Y509-G593 WeakPolarHBondContact CE2-O 3.37Å; Y509-P595 VanDerWaalsContact CD1-CD 3.43Å; Y509-P595 HydrophobicContact CD1-CG 3.59Å; Y509-P595 HydrophobicContact CD2-CG 4.12Å; Y509-P595 HydrophobicContact CE1-CG 3.96Å; Y509-P595 HydrophobicContact CE2-CG 4.46Å; Y509-P595 HydrophobicContact CG-CG 3.66Å; Y509-W605 HydrophobicContact CD1-CD2 4.31Å; Y509-W605 HydrophobicContact CD1-CG 4.28Å; Y509-W605 WeakPolarHBondContact CE1-O 3.15Å; Y509-P607 HydrophobicContact CD1-CB 4.42Å; Y509-P607 HydrophobicContact CE1-CB 3.91Å; Y509-P607 HydrophobicContact CE1-CG 4.46Å; Y509-P607 VanDerWaalsContact CE1-N 3.32Å; Y509-P607 HydrophobicContact CE2-CB 4.29Å
510	L	96.2	Very high	92.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.4	-178.3	175.9	58.4	0	0	0	112	I398 M494 I498 W605 M608 Y615 L616 W632	I398-L510 VanDerWaalsContact O-CA 3.29Å; I398-L510 WeakPolarHBondContact O-CA 3.22Å; M494-L510 HydrophobicContact CE-CD1 3.67Å; M494-L510 HydrophobicContact SD-CD1 3.65Å; I498-L510 HydrophobicContact CD1-CD1 3.7Å; I498-L510 HydrophobicContact CD1-CD2 4.06Å; I498-L510 HydrophobicContact CD1-CG 4.31Å; L510-W605 VanDerWaalsContact O-CZ2 3.29Å; L510-W605 WeakPolarHBondContact O-CZ2 3.12Å; L510-W605 PolarHBondContact O-NE1 3.18Å; L510-M608 HydrophobicContact CB-CG 4.04Å; L510-M608 HydrophobicContact CB-SD 3.36Å; L510-M608 WeakPolarHBondContact CB-SD 3.28Å; L510-M608 HydrophobicContact CD2-CE 3.99Å; L510-M608 HydrophobicContact CD2-SD 3.76Å; L510-M608 HydrophobicContact CG-SD 4.21Å; L510-Y615 CarbonylContact O-C 3.49Å; L510-Y615 VanDerWaalsContact O-CA 3.29Å; L510-Y615 WeakPolarHBondContact O-CA 3.35Å; L510-Y615 WeakPolarHBondContact O-CB 3.27Å; L510-L616 PolarHBondContact O-N 2.93Å; L510-W632 HydrophobicContact CD1-CH2 4.41Å; L510-W632 HydrophobicContact CD1-CZ2 4.2Å; L510-W632 HydrophobicContact CD2-CZ2 3.77Å; L510-W632 HydrophobicContact CG-CZ2 4.04Å
511	Y	96.8	Very high	92.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.3	170.2	75.5	-86.6	0	0	0	113.3	M261 L397 I398 G399 F513 D554 W582 W605 L616 I618	M261-Y511 WeakPolarHBondContact CA-OH 3.24Å; M261-Y511 WeakPolarHBondContact CG-OH 3.41Å; L397-Y511 HydrophobicContact CD2-CD1 3.46Å; L397-Y511 VanDerWaalsContact CD2-CD1 3.46Å; L397-Y511 HydrophobicContact CD2-CE1 3.5Å; L397-Y511 VanDerWaalsContact CD2-CE1 3.5Å; I398-Y511 VanDerWaalsContact C-CE1 3.47Å; I398-Y511 VanDerWaalsContact O-CD1 3.23Å; I398-Y511 WeakPolarHBondContact O-CD1 3.47Å; I398-Y511 PolarHBondContact O-N 3.24Å; G399-Y511 VanDerWaalsContact CA-O 3.22Å; G399-Y511 WeakPolarHBondContact CA-O 3.39Å; Y511-F513 HydrophobicContact CD2-CB 4.17Å; Y511-F513 HydrophobicContact CE2-CB 3.97Å; Y511-D554 PolarHBondContact OH-OD2 2.74Å; Y511-W582 AromaticContact CD1-CH2 3.74Å; Y511-W582 HydrophobicContact CD1-CH2 3.74Å; Y511-W582 HydrophobicContact CD1-CZ3 4.29Å; Y511-W582 HydrophobicContact CD2-CH2 4.23Å; Y511-W582 AromaticContact CE1-CH2 3.51Å; Y511-W582 HydrophobicContact CE1-CH2 3.51Å; Y511-W582 HydrophobicContact CE1-CZ2 4.15Å; Y511-W582 HydrophobicContact CE1-CZ3 4.47Å; Y511-W582 HydrophobicContact CE2-CH2 4.04Å; Y511-W582 HydrophobicContact CE2-CZ2 4.21Å; Y511-W582 HydrophobicContact CG-CH2 4.09Å; Y511-W582 HydrophobicContact CG-CZ3 4.37Å; Y511-W582 AromaticContact CZ-CH2 3.67Å; Y511-W582 AromaticContact CZ-CZ2 3.87Å; Y511-W605 HydrophobicContact CD1-CH2 4.24Å; Y511-W605 HydrophobicContact CG-CH2 4.46Å; Y511-L616 CarbonylContact C-O 3.4Å; Y511-L616 WeakPolarHBondContact CA-O 3.44Å; Y511-L616 WeakPolarHBondContact CB-O 3.35Å; Y511-I618 HydrophobicContact CD2-CD1 3.5Å; Y511-I618 VanDerWaalsContact CD2-CD1 3.5Å; Y511-I618 HydrophobicContact CD2-CG1 4.42Å; Y511-I618 HydrophobicContact CE2-CD1 4.21Å; Y511-I618 HydrophobicContact CG-CD1 3.85Å
512	S	96.6	Very high	92.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.4	165.3	-179.1	0	0	0	0	106.7	E514 L616 I618 R631	S512-E514 WeakPolarHBondContact CB-OE1 3.46Å; S512-E514 PolarHBondContact O-N 3.45Å; S512-E514 VanDerWaalsContact OG-CG 3.31Å; S512-E514 WeakPolarHBondContact OG-CG 3.31Å; S512-E514 PolarHBondContact OG-OE1 3.13Å; S512-L616 PolarHBondContact N-O 3.26Å; S512-I618 PolarHBondContact O-N 3.21Å; S512-R631 PolarHBondContact OG-NE 3.08Å
513	F	97.6	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	105.3	176.1	-162.1	-80.2	0	0	0	108.8	V400 A401 D402 Y511 H515 A549 L553 D554 F557 V578 I618	V400-F513 PolarHBondContact O-N 3.02Å; A401-F513 CarbonylContact C-O 3.49Å; A401-F513 WeakPolarHBondContact CA-O 3.31Å; D402-F513 PolarHBondContact N-O 3.4Å; Y511-F513 HydrophobicContact CD2-CB 4.17Å; Y511-F513 HydrophobicContact CE2-CB 3.97Å; F513-H515 HydrophobicContact CD1-CB 4.49Å; F513-H515 HydrophobicContact CE1-CB 3.92Å; F513-H515 WeakPolarHBondContact CE1-O 3.13Å; F513-H515 HydrophobicContact CZ-CB 4.21Å; F513-A549 HydrophobicContact CD1-CB 3.99Å; F513-A549 WeakPolarHBondContact O-CB 3.35Å; F513-L553 HydrophobicContact CD1-CB 4.35Å; F513-L553 HydrophobicContact CE1-CB 4.02Å; F513-D554 HydrophobicContact CB-CB 4.1Å; F513-D554 HydrophobicContact CD1-CB 4.34Å; F513-D554 HydrophobicContact CD2-CB 3.42Å; F513-D554 VanDerWaalsContact CD2-CB 3.42Å; F513-D554 HydrophobicContact CE2-CB 3.85Å; F513-D554 HydrophobicContact CG-CB 3.7Å; F513-D554 HydrophobicContact CZ-CB 4.48Å; F513-F557 HydrophobicContact CE1-CD2 4.31Å; F513-F557 HydrophobicContact CE1-CE2 4.45Å; F513-F557 HydrophobicContact CE2-CB 4.38Å; F513-F557 HydrophobicContact CE2-CG 4.48Å; F513-F557 HydrophobicContact CZ-CB 4.1Å; F513-F557 HydrophobicContact CZ-CD1 4.3Å; F513-F557 AromaticContact CZ-CD2 3.73Å; F513-F557 HydrophobicContact CZ-CD2 3.73Å; F513-F557 HydrophobicContact CZ-CE2 4.19Å; F513-F557 AromaticContact CZ-CG 3.78Å; F513-F557 HydrophobicContact CZ-CG 3.78Å; F513-V578 HydrophobicContact CZ-CG1 4.4Å; F513-I618 HydrophobicContact CD2-CB 3.93Å; F513-I618 HydrophobicContact CD2-CD1 3.9Å; F513-I618 HydrophobicContact CD2-CG2 3.69Å; F513-I618 HydrophobicContact CE2-CB 4.42Å; F513-I618 HydrophobicContact CE2-CG2 3.67Å; F513-I618 HydrophobicContact CG-CB 4.43Å; F513-I618 HydrophobicContact CG-CG2 4.48Å; F513-I618 HydrophobicContact CZ-CG2 4.44Å
514	E	96.5	Very high	92.4	Very high	37 Å²	37	33.5 Å²	33.5	17%	0.173	19%	0.185	C	C	.	.			trans	-112.4	-8.8	-173.7	-59.8	-176.6	-166.7	0	0	112.2	D402 S512 V516 T617 I618 D619 R623	D402-E514 HydrophobicContact CB-CB 4.48Å; D402-E514 HydrophobicContact CB-CG 4.11Å; S512-E514 WeakPolarHBondContact CB-OE1 3.46Å; S512-E514 PolarHBondContact O-N 3.45Å; S512-E514 VanDerWaalsContact OG-CG 3.31Å; S512-E514 WeakPolarHBondContact OG-CG 3.31Å; S512-E514 PolarHBondContact OG-OE1 3.13Å; E514-V516 PolarHBondContact O-N 3.4Å; E514-T617 HydrophobicContact CB-CG2 4.07Å; E514-T617 HydrophobicContact CG-CG2 3.82Å; E514-T617 VanDerWaalsContact OE2-CG2 3.24Å; E514-T617 WeakPolarHBondContact OE2-CG2 3.44Å; E514-I618 CarbonylContact C-O 3.55Å; E514-I618 PolarHBondContact N-O 2.82Å; E514-D619 HydrophobicContact CB-CB 4.43Å; E514-R623 IonicContact OE2-NH2 3.19Å; E514-R623 PolarHBondContact OE2-NH2 3.36Å
515	H	96.1	Very high	92	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.032	19%	0.188	C	C	.	.			trans	-67.3	125.3	-179.1	-161.8	57.6	0	0	0	112	F513 F557 D575 V578 I618 D619	F513-H515 HydrophobicContact CD1-CB 4.49Å; F513-H515 HydrophobicContact CE1-CB 3.92Å; F513-H515 WeakPolarHBondContact CE1-O 3.13Å; F513-H515 HydrophobicContact CZ-CB 4.21Å; H515-F557 AromaticContact CD2-CE1 3.57Å; H515-F557 AromaticContact CD2-CZ 3.52Å; H515-D575 IonicContact CE1-OD1 2.98Å; H515-D575 IonicContact NE2-OD1 3.25Å; H515-D575 PolarHBondContact NE2-OD1 2.83Å; H515-D575 VanDerWaalsContact NE2-OD1 3.11Å; H515-V578 HydrophobicContact CB-CG1 4.19Å; H515-I618 PolarHBondContact N-O 3.34Å; H515-D619 IonicContact CE1-OD1 2.69Å; H515-D619 IonicContact CG-OD1 3.99Å; H515-D619 IonicContact ND1-OD1 3.06Å; H515-D619 PolarHBondContact ND1-OD1 3.25Å
516	V	94.6	Very high	91.3	Very high	35 Å²	35	33.2 Å²	33.2	21%	0.212	17%	0.171	C	C	.	.			trans	-104.4	132.4	170.9	-178.1	0	0	0	0	107.4	E514 S518 I521 R548	E514-V516 PolarHBondContact O-N 3.4Å; V516-S518 PolarHBondContact O-N 3.08Å; V516-I521 HydrophobicContact CG1-CD1 4.04Å; V516-R548 VanDerWaalsContact CG2-C 3.46Å
517	P	92.5	Very high	90.6	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.045	18%	0.179	C	C	.	.			trans	-47	131.4	173.9	-27.7	32.9	0	0	0	111.1	N519 I521 L553 F557 F569	P517-N519 VanDerWaalsContact C-N 3.27Å; P517-N519 PolarHBondContact O-N 3.14Å; P517-I521 HydrophobicContact CG-CG1 4.45Å; P517-L553 HydrophobicContact CG-CD2 4.33Å; P517-F557 HydrophobicContact CG-CE2 4.12Å; P517-F557 HydrophobicContact CG-CZ 4.3Å; P517-F569 HydrophobicContact CB-CB 4.1Å; P517-F569 HydrophobicContact CB-CD1 4.21Å; P517-F569 HydrophobicContact CB-CD2 3.67Å; P517-F569 HydrophobicContact CB-CE2 4.16Å; P517-F569 HydrophobicContact CB-CG 3.71Å; P517-F569 HydrophobicContact CG-CD1 3.74Å; P517-F569 HydrophobicContact CG-CD2 3.63Å; P517-F569 HydrophobicContact CG-CE1 3.69Å; P517-F569 HydrophobicContact CG-CE2 3.65Å; P517-F569 HydrophobicContact CG-CG 3.7Å; P517-F569 HydrophobicContact CG-CZ 3.66Å
518	S	89.3	Confident	89.7	Confident	60 Å²	60	36.5 Å²	36.5	42%	0.42	19%	0.188	S	C	.	.	S	Bend	trans	-68.5	-30.6	-173.2	-59.6	0	0	0	0	113	V516 N572 D575	V516-S518 PolarHBondContact O-N 3.08Å; S518-N572 VanDerWaalsContact CB-CG 3.46Å; S518-N572 WeakPolarHBondContact CB-ND2 3.2Å; S518-N572 PolarHBondContact OG-ND2 3.4Å; S518-N572 PolarHBondContact OG-OD1 2.92Å; S518-D575 PolarHBondContact N-OD1 2.87Å; S518-D575 PolarHBondContact OG-OD1 3.14Å; S518-D575 VanDerWaalsContact OG-OD1 3.05Å
519	N	90.9	Very high	88.7	Confident	62 Å²	62	39.1 Å²	39.1	33%	0.332	21%	0.205	S	C	.	.	S	Bend	trans	-84.8	164.4	174.6	-67.2	-41.2	0	0	0	111.4	P517 I521 S570	P517-N519 VanDerWaalsContact C-N 3.27Å; P517-N519 PolarHBondContact O-N 3.14Å; N519-I521 PolarHBondContact O-N 2.79Å; N519-S570 WeakPolarHBondContact CB-O 3.31Å; N519-S570 PolarHBondContact ND2-O 2.99Å; N519-S570 PolarHBondContact ND2-OG 2.68Å
520	D	90.3	Very high	87.7	Confident	88 Å²	88	43.4 Å²	43.4	47%	0.471	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-60.5	128.3	-178.1	-70.2	-18.5	0	0	0	112.2	K543	D520-K543 HydrophobicContact CB-CD 4.15Å; D520-K543 HydrophobicContact CB-CG 4.28Å; D520-K543 WeakPolarHBondContact OD1-CE 3.31Å; D520-K543 IonicContact OD1-NZ 2.71Å; D520-K543 PolarHBondContact OD1-NZ 3.06Å; D520-K543 WeakPolarHBondContact OD2-CD 3.45Å; D520-K543 VanDerWaalsContact OD2-CE 3.24Å; D520-K543 WeakPolarHBondContact OD2-CE 3.21Å; D520-K543 IonicContact OD2-NZ 2.6Å; D520-K543 PolarHBondContact OD2-NZ 3.15Å
521	I	90.8	Very high	86.4	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.036	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-78.3	120.7	169.3	-60.4	162	0	0	0	107.8	V516 P517 N519 L544 I546 F550 I567 F569	V516-I521 HydrophobicContact CG1-CD1 4.04Å; P517-I521 HydrophobicContact CG-CG1 4.45Å; N519-I521 PolarHBondContact O-N 2.79Å; I521-L544 HydrophobicContact CG2-CB 4.32Å; I521-L544 HydrophobicContact CG2-CD1 4.34Å; I521-L544 PolarHBondContact O-N 2.9Å; I521-I546 HydrophobicContact CD1-CB 4.02Å; I521-I546 HydrophobicContact CD1-CG2 4.19Å; I521-I546 HydrophobicContact CG2-CD1 4.46Å; I521-F550 HydrophobicContact CD1-CE1 4.01Å; I521-I567 HydrophobicContact CG2-CG2 3.43Å; I521-I567 VanDerWaalsContact CG2-CG2 3.43Å; I521-F569 HydrophobicContact CG1-CB 4.44Å; I521-F569 HydrophobicContact CG1-CD1 4.05Å; I521-F569 HydrophobicContact CG2-CD1 4.47Å
522	V	90.2	Very high	85.4	Confident	24 Å²	24	58.4 Å²	58.4	15%	0.145	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.3	-179.3	-175.5	0	0	0	0	109.3	E541 R542 I567 F568	V522-E541 HydrophobicContact CG1-CB 3.76Å; V522-E541 HydrophobicContact CG1-CG 4.17Å; V522-R542 WeakPolarHBondContact CA-O 3.2Å; V522-I567 CarbonylContact O-C 3.47Å; V522-I567 WeakPolarHBondContact O-CA 3.21Å; V522-F568 HydrophobicContact CB-CD1 4.3Å; V522-F568 HydrophobicContact CB-CD2 4.16Å; V522-F568 HydrophobicContact CB-CE1 3.83Å; V522-F568 HydrophobicContact CB-CE2 3.68Å; V522-F568 HydrophobicContact CB-CG 4.46Å; V522-F568 HydrophobicContact CB-CZ 3.52Å; V522-F568 HydrophobicContact CG1-CE1 3.61Å; V522-F568 HydrophobicContact CG1-CE2 3.96Å; V522-F568 HydrophobicContact CG1-CZ 3.29Å; V522-F568 HydrophobicContact CG2-CE2 4.19Å; V522-F568 HydrophobicContact CG2-CZ 4.36Å; V522-F568 PolarHBondContact N-O 2.84Å; V522-F568 WeakPolarHBondContact O-CD1 3.38Å; V522-F568 PolarHBondContact O-N 2.96Å
523	E	87	Confident	84.3	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.075	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.2	171	-170	-179	-153.6	0	0	109.7	K409 E525 E541 R542 L544 N566 I567	K409-E523 VanDerWaalsContact CE-OE2 3.28Å; K409-E523 WeakPolarHBondContact CE-OE2 3.49Å; K409-E523 IonicContact NZ-OE1 3.8Å; K409-E523 PolarHBondContact NZ-OE1 2.97Å; K409-E523 IonicContact NZ-OE2 2.62Å; K409-E523 PolarHBondContact NZ-OE2 3.24Å; E523-E525 HydrophobicContact CG-CG 4.34Å; E523-E541 WeakPolarHBondContact O-CA 3.35Å; E523-R542 PolarHBondContact N-O 3.27Å; E523-R542 PolarHBondContact O-N 2.97Å; E523-L544 HydrophobicContact CB-CD1 3.82Å; E523-L544 HydrophobicContact CB-CD2 4.22Å; E523-L544 HydrophobicContact CB-CG 3.87Å; E523-L544 HydrophobicContact CG-CD1 4.45Å; E523-L544 WeakPolarHBondContact OE2-CD2 3.22Å; E523-N566 CarbonylContact C-O 3.27Å; E523-N566 VanDerWaalsContact CA-O 3.32Å; E523-N566 WeakPolarHBondContact CA-O 3.22Å; E523-N566 VanDerWaalsContact CG-ND2 3.33Å; E523-N566 WeakPolarHBondContact CG-ND2 3.41Å; E523-N566 PolarHBondContact OE1-ND2 2.95Å; E523-I567 HydrophobicContact CG-CG1 4.48Å
524	E	83.5	Confident	82.9	Confident	40 Å²	40	67.9 Å²	67.9	19%	0.187	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.8	170.6	-168.1	176.5	115.4	0	0	109.7	W526 R539 N566 F568	E524-W526 PolarHBondContact OE1-NE1 2.89Å; E524-R539 HydrophobicContact CG-CG 3.79Å; E524-R539 IonicContact OE2-CZ 2.83Å; E524-R539 IonicContact OE2-NE 3.29Å; E524-R539 PolarHBondContact OE2-NE 3.25Å; E524-R539 IonicContact OE2-NH1 3.57Å; E524-R539 PolarHBondContact OE2-NH1 3.3Å; E524-R539 IonicContact OE2-NH2 3.91Å; E524-R539 PolarHBondContact OE2-NH2 3.38Å; E524-N566 PolarHBondContact N-O 3.07Å; E524-N566 WeakPolarHBondContact O-CB 3.17Å; E524-F568 HydrophobicContact CB-CE1 4.12Å
525	E	78.8	Confident	81.7	Confident	72 Å²	72	73.7 Å²	73.7	34%	0.336	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.1	171.9	-68.5	-178.7	176.4	0	0	109.1	K409 E523 T540	K409-E525 IonicContact NZ-OE1 2.61Å; K409-E525 PolarHBondContact NZ-OE1 2.55Å; E523-E525 HydrophobicContact CG-CG 4.34Å; E525-T540 PolarHBondContact N-O 2.91Å; E525-T540 PolarHBondContact O-N 3.38Å; E525-T540 PolarHBondContact O-OG1 2.84Å; E525-T540 VanDerWaalsContact O-OG1 3.08Å
526	W	73.1	Confident	80.8	Confident	127 Å²	127	82 Å²	82	48%	0.481	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	102.2	174.6	-72.4	86.5	0	0	0	109.5	E524 K537 R539	E524-W526 PolarHBondContact OE1-NE1 2.89Å; W526-K537 HydrophobicContact CE3-CB 4.08Å; W526-R539 HydrophobicContact CD2-CB 4.37Å; W526-R539 HydrophobicContact CE3-CB 4.13Å; W526-R539 HydrophobicContact CH2-CB 4.05Å; W526-R539 HydrophobicContact CZ2-CB 4.23Å; W526-R539 HydrophobicContact CZ2-CG 4.48Å; W526-R539 HydrophobicContact CZ3-CB 3.98Å
527	V	75.2	Confident	79.9	Confident	63 Å²	63	86.5 Å²	86.5	38%	0.382	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131	-177.4	-174.3	0	0	0	0	110.1	V529 K537 V538 T540	V527-V529 PolarHBondContact O-N 3.43Å; V527-K537 WeakPolarHBondContact O-CA 3.4Å; V527-V538 PolarHBondContact N-O 3.32Å; V527-V538 PolarHBondContact O-N 2.97Å; V527-T540 HydrophobicContact CG2-CG2 4.17Å
528	N	74.4	Confident	79.3	Confident	107 Å²	107	88.9 Å²	88.9	57%	0.572	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	108	170.2	-69.8	-47.5	0	0	0	109.6	K537	N528-K537 WeakPolarHBondContact OD1-CG 3.44Å
529	V	76.5	Confident	79	Confident	56 Å²	56	91.8 Å²	91.8	34%	0.339	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.1	171.5	-176.8	0	0	0	0	108.5	V527 L531 R536 V538	V527-V529 PolarHBondContact O-N 3.43Å; V529-L531 HydrophobicContact CG1-CD1 4.17Å; V529-R536 PolarHBondContact N-O 3.5Å; V529-R536 PolarHBondContact O-N 2.85Å; V529-V538 HydrophobicContact CB-CG2 4.1Å; V529-V538 HydrophobicContact CG2-CB 3.97Å; V529-V538 HydrophobicContact CG2-CG2 3.59Å
530	N	75.7	Confident	78.6	Confident	102 Å²	102	91.6 Å²	91.6	55%	0.545	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.5	172.2	-171.1	-0.2	0	0	0	109.3	G533 L534	N530-G533 WeakPolarHBondContact OD1-CA 3.39Å; N530-G533 PolarHBondContact OD1-N 3.19Å; N530-G533 VanDerWaalsContact OD1-N 3.13Å; N530-L534 WeakPolarHBondContact CA-O 3.42Å
531	L	67.8	Low	78.5	Confident	110 Å²	110	92.5 Å²	92.5	58%	0.576	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	109.9	175.8	-136.7	86.2	0	0	0	108.7	V529 G533 L534	V529-L531 HydrophobicContact CG1-CD1 4.17Å; L531-G533 PolarHBondContact O-N 3.12Å; L531-L534 PolarHBondContact N-O 3.43Å; L531-L534 WeakPolarHBondContact O-CB 3.23Å; L531-L534 PolarHBondContact O-N 3.02Å
532	F	76.8	Confident	78.3	Confident	206 Å²	206	99.1 Å²	99.1	90%	0.904	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	35.1	177.9	-52.5	-79	0	0	0	114.9
533	G	73	Confident	78.2	Confident	64 Å²	64	103.8 Å²	103.8	66%	0.66	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-10.1	-178	0	0	0	0	0	114.6	N530 L531 K535	N530-G533 WeakPolarHBondContact OD1-CA 3.39Å; N530-G533 PolarHBondContact OD1-N 3.19Å; N530-G533 VanDerWaalsContact OD1-N 3.13Å; L531-G533 PolarHBondContact O-N 3.12Å; G533-K535 PolarHBondContact O-N 2.78Å
534	L	68.6	Low	78.2	Confident	135 Å²	135	103.6 Å²	103.6	71%	0.707	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.7	169.6	-114.3	90.9	0	0	0	110	N530 L531	N530-L534 WeakPolarHBondContact CA-O 3.42Å; L531-L534 PolarHBondContact N-O 3.43Å; L531-L534 WeakPolarHBondContact O-CB 3.23Å; L531-L534 PolarHBondContact O-N 3.02Å
535	K	70.9	Confident	78.3	Confident	159 Å²	159	107 Å²	107	69%	0.691	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.9	167.1	-67.4	-175.6	-179.4	-177.8	0	109.3	G533	G533-K535 PolarHBondContact O-N 2.78Å
536	R	77.8	Confident	78.8	Confident	183 Å²	183	104.6 Å²	104.6	69%	0.691	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.8	172.5	-169.1	172.8	-179.4	164.2	-0	109.5	V529 V538	V529-R536 PolarHBondContact N-O 3.5Å; V529-R536 PolarHBondContact O-N 2.85Å; R536-V538 HydrophobicContact CG-CG2 4.45Å; R536-V538 PolarHBondContact O-N 2.84Å
537	K	74.9	Confident	79.6	Confident	129 Å²	129	107.3 Å²	107.3	56%	0.561	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.4	167.2	-78.9	-173.8	177.7	-170.1	0	108.6	W526 V527 N528	W526-K537 HydrophobicContact CE3-CB 4.08Å; V527-K537 WeakPolarHBondContact O-CA 3.4Å; N528-K537 WeakPolarHBondContact OD1-CG 3.44Å
538	V	80.7	Confident	80.5	Confident	56 Å²	56	108.6 Å²	108.6	34%	0.339	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.7	175.9	179.9	0	0	0	0	107.9	V527 V529 R536 T540	V527-V538 PolarHBondContact N-O 3.32Å; V527-V538 PolarHBondContact O-N 2.97Å; V529-V538 HydrophobicContact CB-CG2 4.1Å; V529-V538 HydrophobicContact CG2-CB 3.97Å; V529-V538 HydrophobicContact CG2-CG2 3.59Å; R536-V538 HydrophobicContact CG-CG2 4.45Å; R536-V538 PolarHBondContact O-N 2.84Å; V538-T540 HydrophobicContact CG1-CG2 4.49Å
539	R	81.4	Confident	81.5	Confident	122 Å²	122	103.5 Å²	103.5	46%	0.46	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.4	170.5	176.5	-179.6	163.2	157.4	8.4	108.7	E524 W526 E541	E524-R539 HydrophobicContact CG-CG 3.79Å; E524-R539 IonicContact OE2-CZ 2.83Å; E524-R539 IonicContact OE2-NE 3.29Å; E524-R539 PolarHBondContact OE2-NE 3.25Å; E524-R539 IonicContact OE2-NH1 3.57Å; E524-R539 PolarHBondContact OE2-NH1 3.3Å; E524-R539 IonicContact OE2-NH2 3.91Å; E524-R539 PolarHBondContact OE2-NH2 3.38Å; W526-R539 HydrophobicContact CD2-CB 4.37Å; W526-R539 HydrophobicContact CE3-CB 4.13Å; W526-R539 HydrophobicContact CH2-CB 4.05Å; W526-R539 HydrophobicContact CZ2-CB 4.23Å; W526-R539 HydrophobicContact CZ2-CG 4.48Å; W526-R539 HydrophobicContact CZ3-CB 3.98Å; R539-E541 IonicContact CZ-OE1 3.62Å; R539-E541 IonicContact NE-OE1 3.25Å; R539-E541 PolarHBondContact NE-OE1 2.9Å; R539-E541 IonicContact NH2-OE1 3.35Å; R539-E541 PolarHBondContact NH2-OE1 2.88Å
540	T	83.9	Confident	82.4	Confident	57 Å²	57	100.9 Å²	100.9	35%	0.35	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.6	173.6	54.1	0	0	0	0	109.3	E525 V527 V538	E525-T540 PolarHBondContact N-O 2.91Å; E525-T540 PolarHBondContact O-N 3.38Å; E525-T540 PolarHBondContact O-OG1 2.84Å; E525-T540 VanDerWaalsContact O-OG1 3.08Å; V527-T540 HydrophobicContact CG2-CG2 4.17Å; V538-T540 HydrophobicContact CG1-CG2 4.49Å
541	E	86.8	Confident	83.4	Confident	108 Å²	108	97 Å²	97	51%	0.505	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.2	177.9	-72.8	177.2	-171.5	0	0	109.6	V522 E523 R539 F568	V522-E541 HydrophobicContact CG1-CB 3.76Å; V522-E541 HydrophobicContact CG1-CG 4.17Å; E523-E541 WeakPolarHBondContact O-CA 3.35Å; R539-E541 IonicContact CZ-OE1 3.62Å; R539-E541 IonicContact NE-OE1 3.25Å; R539-E541 PolarHBondContact NE-OE1 2.9Å; R539-E541 IonicContact NH2-OE1 3.35Å; R539-E541 PolarHBondContact NH2-OE1 2.88Å; E541-F568 HydrophobicContact CG-CE1 4.46Å; E541-F568 HydrophobicContact CG-CZ 4.17Å
542	R	87.3	Confident	84.6	Confident	146 Å²	146	91.7 Å²	91.7	55%	0.551	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	125	179.9	-176.2	179	177.6	177.4	0.7	110.3	V522 E523 L544	V522-R542 WeakPolarHBondContact CA-O 3.2Å; E523-R542 PolarHBondContact N-O 3.27Å; E523-R542 PolarHBondContact O-N 2.97Å; R542-L544 PolarHBondContact O-N 2.9Å
543	K	88.8	Confident	85.4	Confident	121 Å²	121	81.9 Å²	81.9	53%	0.526	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.9	167.8	-179.4	174.9	177.8	163.4	0	110.2	D520	D520-K543 HydrophobicContact CB-CD 4.15Å; D520-K543 HydrophobicContact CB-CG 4.28Å; D520-K543 WeakPolarHBondContact OD1-CE 3.31Å; D520-K543 IonicContact OD1-NZ 2.71Å; D520-K543 PolarHBondContact OD1-NZ 3.06Å; D520-K543 WeakPolarHBondContact OD2-CD 3.45Å; D520-K543 VanDerWaalsContact OD2-CE 3.24Å; D520-K543 WeakPolarHBondContact OD2-CE 3.21Å; D520-K543 IonicContact OD2-NZ 2.6Å; D520-K543 PolarHBondContact OD2-NZ 3.15Å
544	L	86.2	Confident	86.4	Confident	13 Å²	13	78.9 Å²	78.9	7%	0.068	36%	0.358	C	S	.	.			trans	-91.6	126	176.2	-68.9	-175.5	0	0	0	110.5	I521 E523 R542 I546 I567	I521-L544 HydrophobicContact CG2-CB 4.32Å; I521-L544 HydrophobicContact CG2-CD1 4.34Å; I521-L544 PolarHBondContact O-N 2.9Å; E523-L544 HydrophobicContact CB-CD1 3.82Å; E523-L544 HydrophobicContact CB-CD2 4.22Å; E523-L544 HydrophobicContact CB-CG 3.87Å; E523-L544 HydrophobicContact CG-CD1 4.45Å; E523-L544 WeakPolarHBondContact OE2-CD2 3.22Å; R542-L544 PolarHBondContact O-N 2.9Å; L544-I546 HydrophobicContact CB-CD1 3.91Å; L544-I546 HydrophobicContact CB-CG1 4.04Å; L544-I546 HydrophobicContact CD1-CD1 3.82Å; L544-I546 PolarHBondContact O-N 3.04Å; L544-I567 HydrophobicContact CD1-CD1 4.32Å; L544-I567 HydrophobicContact CD1-CG1 4.41Å
545	P	86.3	Confident	87.7	Confident	111 Å²	111	73.5 Å²	73.5	72%	0.721	33%	0.329	S	S	*	.			trans	-80	49.9	178.9	35.1	-36.8	0	0	0	111.9
546	I	89.2	Confident	88.8	Confident	22 Å²	22	66 Å²	66	11%	0.113	30%	0.296	C	S	.	.			trans	-81.6	130.1	178.8	-65.4	168.4	0	0	0	108.8	A406 H407 I521 L544 R548 F550	A406-I546 HydrophobicContact CB-CG2 4.44Å; H407-I546 HydrophobicContact CB-CD1 3.87Å; I521-I546 HydrophobicContact CD1-CB 4.02Å; I521-I546 HydrophobicContact CD1-CG2 4.19Å; I521-I546 HydrophobicContact CG2-CD1 4.46Å; L544-I546 HydrophobicContact CB-CD1 3.91Å; L544-I546 HydrophobicContact CB-CG1 4.04Å; L544-I546 HydrophobicContact CD1-CD1 3.82Å; L544-I546 PolarHBondContact O-N 3.04Å; I546-R548 WeakPolarHBondContact CG2-O 3.42Å; I546-F550 HydrophobicContact CD1-CD1 4.15Å; I546-F550 HydrophobicContact CD1-CE1 4Å; I546-F550 HydrophobicContact CG2-CD1 3.79Å; I546-F550 HydrophobicContact CG2-CE1 4.21Å
547	K	89.8	Confident	89.6	Confident	183 Å²	183	57.3 Å²	57.3	80%	0.796	26%	0.264	S	S	*	.			trans	-122.1	4.9	-177.3	-63.3	-172.4	177.6	-175.5	0	113.6
548	R	94.3	Very high	90.7	Very high	90 Å²	90	51.2 Å²	51.2	34%	0.34	24%	0.237	S	C	.	.	S	Bend	trans	-139.8	144.4	-176.8	-69.5	-170.3	155.8	-125.7	-18.5	108.7	D402 V403 A406 V516 I546	D402-R548 VanDerWaalsContact CG-NH1 3.33Å; D402-R548 IonicContact OD1-CZ 3.03Å; D402-R548 IonicContact OD1-NH1 3.12Å; D402-R548 PolarHBondContact OD1-NH1 3.33Å; D402-R548 WeakPolarHBondContact OD2-CB 3.32Å; D402-R548 WeakPolarHBondContact OD2-CD 3.12Å; D402-R548 VanDerWaalsContact OD2-CG 3.22Å; D402-R548 WeakPolarHBondContact OD2-CG 3.38Å; D402-R548 IonicContact OD2-CZ 3.19Å; D402-R548 IonicContact OD2-NE 2.78Å; D402-R548 PolarHBondContact OD2-NE 3.49Å; D402-R548 IonicContact OD2-NH1 3.76Å; D402-R548 PolarHBondContact OD2-NH1 3.32Å; D402-R548 IonicContact OD2-NH2 2.91Å; V403-R548 HydrophobicContact CB-CB 4.4Å; V403-R548 HydrophobicContact CG2-CB 4.46Å; V403-R548 VanDerWaalsContact CG2-NH1 3.3Å; A406-R548 HydrophobicContact CB-CB 4.07Å; V516-R548 VanDerWaalsContact CG2-C 3.46Å; I546-R548 WeakPolarHBondContact CG2-O 3.42Å
549	A	95.6	Very high	91.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.221	C	C	.	.			trans	-60.8	138.6	175.5	0	0	0	0	0	110.1	A401 D402 V403 F513 L553	A401-A549 HydrophobicContact CB-CB 4.46Å; D402-A549 HydrophobicContact CB-CB 4.29Å; V403-A549 CarbonylContact C-O 3.6Å; V403-A549 PolarHBondContact N-O 3.39Å; F513-A549 HydrophobicContact CD1-CB 3.99Å; F513-A549 WeakPolarHBondContact O-CB 3.35Å; A549-L553 HydrophobicContact CB-CD1 4.01Å
550	F	95.2	Very high	91.9	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.201	C	C	.	.			trans	-126.6	170.7	-174.4	63.4	-89.1	0	0	0	111.5	V403 A406 H407 I521 I546 G552 L553 Y563 I567	V403-F550 WeakPolarHBondContact O-CA 3.31Å; A406-F550 HydrophobicContact CB-CB 4.07Å; H407-F550 HydrophobicContact CB-CB 4.32Å; H407-F550 HydrophobicContact CB-CD2 3.96Å; H407-F550 HydrophobicContact CB-CE2 4.46Å; H407-F550 HydrophobicContact CB-CG 4.06Å; H407-F550 AromaticContact CG-CD2 3.94Å; H407-F550 AromaticContact ND1-CD2 3.58Å; H407-F550 AromaticContact ND1-CG 3.92Å; I521-F550 HydrophobicContact CD1-CE1 4.01Å; I546-F550 HydrophobicContact CD1-CD1 4.15Å; I546-F550 HydrophobicContact CD1-CE1 4Å; I546-F550 HydrophobicContact CG2-CD1 3.79Å; I546-F550 HydrophobicContact CG2-CE1 4.21Å; F550-G552 PolarHBondContact O-N 3.4Å; F550-L553 HydrophobicContact CD1-CD1 3.59Å; F550-L553 HydrophobicContact CD1-CD2 4.37Å; F550-L553 HydrophobicContact CD1-CG 3.83Å; F550-L553 HydrophobicContact CD2-CG 4.25Å; F550-L553 HydrophobicContact CE1-CD1 3.63Å; F550-L553 HydrophobicContact CE1-CD2 3.68Å; F550-L553 HydrophobicContact CE1-CG 3.67Å; F550-L553 HydrophobicContact CE2-CD2 4.14Å; F550-L553 HydrophobicContact CE2-CG 4.08Å; F550-L553 HydrophobicContact CG-CD1 4.24Å; F550-L553 HydrophobicContact CG-CG 4.13Å; F550-L553 HydrophobicContact CZ-CD1 4.29Å; F550-L553 HydrophobicContact CZ-CD2 3.55Å; F550-L553 HydrophobicContact CZ-CG 3.8Å; F550-L553 WeakPolarHBondContact O-CB 3.27Å; F550-L553 WeakPolarHBondContact O-CG 3.5Å; F550-L553 PolarHBondContact O-N 3.18Å; F550-L553 VanDerWaalsContact O-N 3.14Å; F550-Y563 HydrophobicContact CE2-CE2 4Å; F550-Y563 HydrophobicContact CZ-CE2 4.49Å; F550-I567 HydrophobicContact CE2-CD1 4.21Å; F550-I567 HydrophobicContact CZ-CD1 4.35Å; F550-I567 HydrophobicContact CZ-CG2 4.38Å
551	H	95.1	Very high	92	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.9	-177.4	-162.1	59.8	0	0	0	112.3	E235 S236 E404 F490 L553 Y563	E235-H551 IonicContact OE1-CD2 2.75Å; E235-H551 IonicContact OE1-CE1 3.56Å; E235-H551 PolarHBondContact OE1-CE1 3.43Å; E235-H551 VanDerWaalsContact OE1-CE1 3.24Å; E235-H551 IonicContact OE1-CG 3.21Å; E235-H551 IonicContact OE1-ND1 3.63Å; E235-H551 IonicContact OE1-NE2 2.96Å; E235-H551 PolarHBondContact OE1-NE2 3.14Å; S236-H551 WeakPolarHBondContact CB-NE2 3.36Å; S236-H551 PolarHBondContact OG-NE2 3.42Å; E404-H551 HydrophobicContact CB-CB 4.41Å; E404-H551 VanDerWaalsContact O-CB 3.3Å; E404-H551 WeakPolarHBondContact O-CB 3.42Å; E404-H551 PolarHBondContact O-N 3.21Å; E404-H551 WeakPolarHBondContact OE2-CA 3.36Å; E404-H551 WeakPolarHBondContact OE2-CB 3.49Å; E404-H551 IonicContact OE2-CE1 3.49Å; E404-H551 IonicContact OE2-CG 3.77Å; E404-H551 IonicContact OE2-ND1 3.61Å; E404-H551 PolarHBondContact OE2-ND1 3Å; F490-H551 AromaticContact CE1-CE1 3.44Å; F490-H551 VanDerWaalsContact CE1-CE1 3.44Å; F490-H551 WeakPolarHBondContact CE1-CE1 3.3Å; F490-H551 AromaticContact CE1-ND1 3.91Å; F490-H551 AromaticContact CZ-CE1 3.7Å; F490-H551 AromaticContact CZ-ND1 3.98Å; H551-L553 VanDerWaalsContact C-N 3.32Å; H551-L553 PolarHBondContact O-N 3.33Å; H551-Y563 PolarHBondContact O-OH 2.76Å
552	G	93	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-8.4	179.9	0	0	0	0	0	116.6	E235 F550 D554 H555 A556	E235-G552 WeakPolarHBondContact OE1-CA 3.48Å; E235-G552 PolarHBondContact OE1-N 2.91Å; F550-G552 PolarHBondContact O-N 3.4Å; G552-D554 VanDerWaalsContact C-N 3.31Å; G552-D554 PolarHBondContact O-N 2.87Å; G552-H555 VanDerWaalsContact CA-CE1 3.47Å; G552-H555 WeakPolarHBondContact CA-CE1 3.24Å; G552-H555 WeakPolarHBondContact CA-ND1 3.44Å; G552-H555 PolarHBondContact O-CE1 3.17Å; G552-H555 VanDerWaalsContact O-CE1 3.25Å; G552-H555 PolarHBondContact O-N 3.27Å; G552-H555 PolarHBondContact O-ND1 3.28Å; G552-H555 VanDerWaalsContact O-ND1 3.08Å; G552-A556 WeakPolarHBondContact O-CB 3.47Å; G552-A556 PolarHBondContact O-N 2.9Å; G552-A556 VanDerWaalsContact O-N 3.13Å
553	L	93.9	Very high	91.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-37.8	178.4	-80.1	-173.8	0	0	0	112.7	F513 P517 A549 F550 H551 H555 A556 F557 Y563 F569	F513-L553 HydrophobicContact CD1-CB 4.35Å; F513-L553 HydrophobicContact CE1-CB 4.02Å; P517-L553 HydrophobicContact CG-CD2 4.33Å; A549-L553 HydrophobicContact CB-CD1 4.01Å; F550-L553 HydrophobicContact CD1-CD1 3.59Å; F550-L553 HydrophobicContact CD1-CD2 4.37Å; F550-L553 HydrophobicContact CD1-CG 3.83Å; F550-L553 HydrophobicContact CD2-CG 4.25Å; F550-L553 HydrophobicContact CE1-CD1 3.63Å; F550-L553 HydrophobicContact CE1-CD2 3.68Å; F550-L553 HydrophobicContact CE1-CG 3.67Å; F550-L553 HydrophobicContact CE2-CD2 4.14Å; F550-L553 HydrophobicContact CE2-CG 4.08Å; F550-L553 HydrophobicContact CG-CD1 4.24Å; F550-L553 HydrophobicContact CG-CG 4.13Å; F550-L553 HydrophobicContact CZ-CD1 4.29Å; F550-L553 HydrophobicContact CZ-CD2 3.55Å; F550-L553 HydrophobicContact CZ-CG 3.8Å; F550-L553 WeakPolarHBondContact O-CB 3.27Å; F550-L553 WeakPolarHBondContact O-CG 3.5Å; F550-L553 PolarHBondContact O-N 3.18Å; F550-L553 VanDerWaalsContact O-N 3.14Å; H551-L553 VanDerWaalsContact C-N 3.32Å; H551-L553 PolarHBondContact O-N 3.33Å; L553-H555 PolarHBondContact O-N 2.96Å; L553-A556 WeakPolarHBondContact O-CB 3.47Å; L553-A556 PolarHBondContact O-N 2.87Å; L553-F557 VanDerWaalsContact O-CD2 3.24Å; L553-F557 WeakPolarHBondContact O-CD2 3.14Å; L553-F557 PolarHBondContact O-N 3.1Å; L553-F557 VanDerWaalsContact O-N 3.08Å; L553-Y563 HydrophobicContact CD2-CD2 4.07Å; L553-Y563 HydrophobicContact CD2-CE2 4.31Å; L553-F569 HydrophobicContact CD2-CE1 3.59Å; L553-F569 HydrophobicContact CD2-CZ 3.7Å
554	D	94.6	Very high	90.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-35.5	-177	58	-6.7	0	0	0	113	M261 Y511 F513 G552 W582	M261-D554 HydrophobicContact CE-CB 3.63Å; M261-D554 WeakPolarHBondContact CE-OD1 3.22Å; M261-D554 WeakPolarHBondContact CE-OD2 3.42Å; Y511-D554 PolarHBondContact OH-OD2 2.74Å; F513-D554 HydrophobicContact CB-CB 4.1Å; F513-D554 HydrophobicContact CD1-CB 4.34Å; F513-D554 HydrophobicContact CD2-CB 3.42Å; F513-D554 VanDerWaalsContact CD2-CB 3.42Å; F513-D554 HydrophobicContact CE2-CB 3.85Å; F513-D554 HydrophobicContact CG-CB 3.7Å; F513-D554 HydrophobicContact CZ-CB 4.48Å; G552-D554 VanDerWaalsContact C-N 3.31Å; G552-D554 PolarHBondContact O-N 2.87Å; D554-W582 PolarHBondContact O-NE1 3.16Å
555	H	95	Very high	90.5	Very high	22 Å²	22	27.9 Å²	27.9	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-78.7	-30.3	172.5	82.1	-101	0	0	0	112.5	W149 E235 M261 G552 L553 F557 I558 F559	W149-H555 HydrophobicContact CH2-CB 3.74Å; W149-H555 HydrophobicContact CZ2-CB 4.36Å; E235-H555 HydrophobicContact CB-CB 4.41Å; E235-H555 IonicContact OE2-ND1 2.87Å; M261-H555 HydrophobicContact CE-CB 3.74Å; M261-H555 HydrophobicContact SD-CB 4.43Å; G552-H555 VanDerWaalsContact CA-CE1 3.47Å; G552-H555 WeakPolarHBondContact CA-CE1 3.24Å; G552-H555 WeakPolarHBondContact CA-ND1 3.44Å; G552-H555 PolarHBondContact O-CE1 3.17Å; G552-H555 VanDerWaalsContact O-CE1 3.25Å; G552-H555 PolarHBondContact O-N 3.27Å; G552-H555 PolarHBondContact O-ND1 3.28Å; G552-H555 VanDerWaalsContact O-ND1 3.08Å; L553-H555 PolarHBondContact O-N 2.96Å; H555-F557 PolarHBondContact O-N 3.11Å; H555-I558 WeakPolarHBondContact O-CA 3.44Å; H555-I558 WeakPolarHBondContact O-CB 3.44Å; H555-I558 PolarHBondContact O-N 2.84Å; H555-F559 HydrophobicContact CB-CD2 4.25Å; H555-F559 WeakPolarHBondContact O-CD2 3.49Å; H555-F559 PolarHBondContact O-N 3.4Å
556	A	94.3	Very high	90.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-34.1	173	0	0	0	0	0	111.7	G552 L553 I558 F559 T560 G562 Y563 F569	G552-A556 WeakPolarHBondContact O-CB 3.47Å; G552-A556 PolarHBondContact O-N 2.9Å; G552-A556 VanDerWaalsContact O-N 3.13Å; L553-A556 WeakPolarHBondContact O-CB 3.47Å; L553-A556 PolarHBondContact O-N 2.87Å; A556-I558 PolarHBondContact O-N 3.48Å; A556-F559 PolarHBondContact O-N 3.26Å; A556-T560 WeakPolarHBondContact CA-OG1 3.35Å; A556-T560 PolarHBondContact O-N 2.99Å; A556-T560 PolarHBondContact O-OG1 3.22Å; A556-G562 WeakPolarHBondContact CB-O 3.35Å; A556-Y563 HydrophobicContact CB-CD2 3.68Å; A556-Y563 HydrophobicContact CB-CE2 4.2Å; A556-F569 HydrophobicContact CB-CZ 4.5Å
557	F	96	Very high	90	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-71	-1.9	172.3	-84.3	-107.2	0	0	0	115.9	F513 H515 P517 L553 H555 F569 Y571 D575 V578 S579	F513-F557 HydrophobicContact CE1-CD2 4.31Å; F513-F557 HydrophobicContact CE1-CE2 4.45Å; F513-F557 HydrophobicContact CE2-CB 4.38Å; F513-F557 HydrophobicContact CE2-CG 4.48Å; F513-F557 HydrophobicContact CZ-CB 4.1Å; F513-F557 HydrophobicContact CZ-CD1 4.3Å; F513-F557 AromaticContact CZ-CD2 3.73Å; F513-F557 HydrophobicContact CZ-CD2 3.73Å; F513-F557 HydrophobicContact CZ-CE2 4.19Å; F513-F557 AromaticContact CZ-CG 3.78Å; F513-F557 HydrophobicContact CZ-CG 3.78Å; H515-F557 AromaticContact CD2-CE1 3.57Å; H515-F557 AromaticContact CD2-CZ 3.52Å; P517-F557 HydrophobicContact CG-CE2 4.12Å; P517-F557 HydrophobicContact CG-CZ 4.3Å; L553-F557 VanDerWaalsContact O-CD2 3.24Å; L553-F557 WeakPolarHBondContact O-CD2 3.14Å; L553-F557 PolarHBondContact O-N 3.1Å; L553-F557 VanDerWaalsContact O-N 3.08Å; H555-F557 PolarHBondContact O-N 3.11Å; F557-F569 HydrophobicContact CE2-CE2 4.36Å; F557-F569 HydrophobicContact CE2-CZ 4.45Å; F557-Y571 WeakPolarHBondContact CA-OH 3.25Å; F557-Y571 HydrophobicContact CD1-CE1 4.35Å; F557-Y571 HydrophobicContact CD1-CE2 4.41Å; F557-Y571 AromaticContact CD1-CZ 3.8Å; F557-Y571 VanDerWaalsContact CD1-OH 3.31Å; F557-Y571 WeakPolarHBondContact CD1-OH 3.44Å; F557-Y571 HydrophobicContact CD2-CE1 4.48Å; F557-Y571 VanDerWaalsContact CD2-OH 3.31Å; F557-Y571 WeakPolarHBondContact CD2-OH 3.26Å; F557-Y571 AromaticContact CE1-CE1 3.88Å; F557-Y571 HydrophobicContact CE1-CE1 3.88Å; F557-Y571 HydrophobicContact CE1-CE2 4.49Å; F557-Y571 AromaticContact CE1-CZ 3.77Å; F557-Y571 HydrophobicContact CE2-CE1 4.07Å; F557-Y571 WeakPolarHBondContact CG-OH 3.39Å; F557-Y571 AromaticContact CZ-CE1 3.73Å; F557-Y571 HydrophobicContact CZ-CE1 3.73Å; F557-D575 HydrophobicContact CE1-CB 3.97Å; F557-D575 HydrophobicContact CZ-CB 4.28Å; F557-V578 HydrophobicContact CD1-CB 4.31Å; F557-V578 HydrophobicContact CD1-CG1 3.93Å; F557-V578 HydrophobicContact CE1-CB 4.22Å; F557-V578 HydrophobicContact CE1-CG1 4.1Å; F557-S579 WeakPolarHBondContact O-CB 3.41Å; F557-S579 PolarHBondContact O-OG 3.09Å
558	I	97	Very high	89.8	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-107.3	-42.7	174.8	-55.1	170.8	0	0	0	110.1	V168 N172 I173 M233 M261 H555 A556 I586	V168-I558 WeakPolarHBondContact CG1-O 3.45Å; N172-I558 PolarHBondContact ND2-O 2.83Å; I173-I558 HydrophobicContact CD1-CG2 3.82Å; I173-I558 HydrophobicContact CG1-CG2 4.22Å; M233-I558 HydrophobicContact CE-CD1 3.26Å; M261-I558 HydrophobicContact CE-CD1 3.84Å; M261-I558 HydrophobicContact SD-CD1 4.07Å; H555-I558 WeakPolarHBondContact O-CA 3.44Å; H555-I558 WeakPolarHBondContact O-CB 3.44Å; H555-I558 PolarHBondContact O-N 2.84Å; A556-I558 PolarHBondContact O-N 3.48Å; I558-I586 HydrophobicContact CD1-CD1 3.34Å; I558-I586 HydrophobicContact CG1-CD1 4.02Å
559	F	96.3	Very high	89.5	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-112.9	-17.1	-160.1	-68.4	-62.9	0	0	0	116.5	W149 G163 V164 D165 A169 I173 L180 M233 H555 A556	W149-F559 AromaticContact CD2-CE2 3.75Å; W149-F559 HydrophobicContact CD2-CE2 3.75Å; W149-F559 AromaticContact CD2-CZ 3.85Å; W149-F559 HydrophobicContact CD2-CZ 3.85Å; W149-F559 AromaticContact CE2-CE2 3.75Å; W149-F559 AromaticContact CE3-CE2 3.84Å; W149-F559 HydrophobicContact CE3-CE2 3.84Å; W149-F559 HydrophobicContact CE3-CZ 4.06Å; W149-F559 HydrophobicContact CG-CE2 4.39Å; W149-F559 HydrophobicContact CG-CZ 4.05Å; W149-F559 AromaticContact CH2-CE2 3.93Å; W149-F559 HydrophobicContact CH2-CE2 3.93Å; W149-F559 HydrophobicContact CZ2-CD2 4.36Å; W149-F559 AromaticContact CZ2-CE2 3.85Å; W149-F559 HydrophobicContact CZ2-CE2 3.85Å; W149-F559 AromaticContact CZ3-CE2 3.94Å; W149-F559 HydrophobicContact CZ3-CE2 3.94Å; G163-F559 WeakPolarHBondContact O-CB 3.26Å; V164-F559 HydrophobicContact CG1-CD1 4.23Å; V164-F559 HydrophobicContact CG2-CD1 4.36Å; V164-F559 HydrophobicContact CG2-CG 4.45Å; D165-F559 WeakPolarHBondContact CA-O 3.34Å; D165-F559 WeakPolarHBondContact CB-O 3.39Å; D165-F559 PolarHBondContact N-O 3.29Å; A169-F559 HydrophobicContact CB-CD1 3.91Å; A169-F559 HydrophobicContact CB-CE1 4.3Å; I173-F559 HydrophobicContact CD1-CE1 3.82Å; I173-F559 HydrophobicContact CD1-CZ 4.12Å; L180-F559 HydrophobicContact CD2-CE1 4.14Å; M233-F559 HydrophobicContact CE-CE2 4.4Å; H555-F559 HydrophobicContact CB-CD2 4.25Å; H555-F559 WeakPolarHBondContact O-CD2 3.49Å; H555-F559 PolarHBondContact O-N 3.4Å; A556-F559 PolarHBondContact O-N 3.26Å
560	T	90.5	Very high	89.2	Confident	6 Å²	6	19.3 Å²	19.3	4%	0.037	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-3	-163.3	45.6	0	0	0	0	116.5	F115 G163 A556 G562	F115-T560 HydrophobicContact CD2-CG2 3.94Å; F115-T560 HydrophobicContact CE2-CG2 3.33Å; F115-T560 HydrophobicContact CZ-CG2 4.02Å; G163-T560 VanDerWaalsContact C-CG2 3.49Å; G163-T560 WeakPolarHBondContact O-CG2 3.48Å; A556-T560 WeakPolarHBondContact CA-OG1 3.35Å; A556-T560 PolarHBondContact O-N 2.99Å; A556-T560 PolarHBondContact O-OG1 3.22Å; T560-G562 VanDerWaalsContact CB-O 3.31Å; T560-G562 WeakPolarHBondContact CB-O 3.34Å; T560-G562 PolarHBondContact O-N 2.67Å; T560-G562 PolarHBondContact OG1-O 2.85Å
561	E	86.9	Confident	89	Confident	51 Å²	51	20.3 Å²	20.3	24%	0.238	11%	0.107	C	C	.	.	S	Bend	trans	40.5	40.7	-174.8	-72.2	-174.8	176.8	0	0	112.3	V168 K171 Y571 Y576	V168-E561 HydrophobicContact CB-CG 4.48Å; V168-E561 HydrophobicContact CG1-CG 3.8Å; V168-E561 HydrophobicContact CG2-CB 4.16Å; V168-E561 HydrophobicContact CG2-CG 3.79Å; K171-E561 IonicContact NZ-OE1 2.74Å; K171-E561 PolarHBondContact NZ-OE1 3.07Å; E561-Y571 HydrophobicContact CB-CD2 4.12Å; E561-Y571 HydrophobicContact CB-CE2 4.09Å; E561-Y571 HydrophobicContact CG-CD2 4.15Å; E561-Y571 HydrophobicContact CG-CE2 4.04Å; E561-Y576 HydrophobicContact CG-CE1 4.36Å
562	G	81.8	Confident	88.9	Confident	3 Å²	3	22 Å²	22	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	154.3	-176.3	-156.7	0	0	0	0	0	109.3	A556 T560 F569	A556-G562 WeakPolarHBondContact CB-O 3.35Å; T560-G562 VanDerWaalsContact CB-O 3.31Å; T560-G562 WeakPolarHBondContact CB-O 3.34Å; T560-G562 PolarHBondContact O-N 2.67Å; T560-G562 PolarHBondContact OG1-O 2.85Å; G562-F569 WeakPolarHBondContact CA-O 3.04Å
563	Y	78.9	Confident	88.9	Confident	36 Å²	36	28 Å²	28	14%	0.141	15%	0.149	C	C	.	.			trans	-110.8	155.3	171.7	-155	-90	0	0	0	109	F550 H551 L553 A556 S565 I567 F569	F550-Y563 HydrophobicContact CE2-CE2 4Å; F550-Y563 HydrophobicContact CZ-CE2 4.49Å; H551-Y563 PolarHBondContact O-OH 2.76Å; L553-Y563 HydrophobicContact CD2-CD2 4.07Å; L553-Y563 HydrophobicContact CD2-CE2 4.31Å; A556-Y563 HydrophobicContact CB-CD2 3.68Å; A556-Y563 HydrophobicContact CB-CE2 4.2Å; Y563-S565 WeakPolarHBondContact CD1-OG 3.38Å; Y563-S565 VanDerWaalsContact CE1-OG 3.25Å; Y563-S565 WeakPolarHBondContact CE1-OG 3.48Å; Y563-I567 CarbonylContact C-O 3.5Å; Y563-I567 VanDerWaalsContact CB-O 3.31Å; Y563-I567 WeakPolarHBondContact CB-O 3.28Å; Y563-I567 HydrophobicContact CD1-CB 3.86Å; Y563-I567 HydrophobicContact CD1-CG2 4.42Å; Y563-I567 HydrophobicContact CE1-CB 4.49Å; Y563-I567 HydrophobicContact CG-CB 4.32Å; Y563-I567 HydrophobicContact CG-CG2 4.39Å; Y563-F569 HydrophobicContact CD2-CE1 4.13Å; Y563-F569 HydrophobicContact CD2-CZ 4.33Å; Y563-F569 HydrophobicContact CG-CE1 4.29Å
564	S	77	Confident	88.9	Confident	5 Å²	5	28.9 Å²	28.9	4%	0.035	16%	0.157	C	C	.	.	S	Bend	trans	-101.2	-25.3	-164.7	76.1	0	0	0	0	115.9	D113 R114 G163	D113-S564 WeakPolarHBondContact CA-O 3.43Å; D113-S564 WeakPolarHBondContact OD2-CB 3.47Å; D113-S564 PolarHBondContact OD2-OG 3.25Å; R114-S564 PolarHBondContact N-O 2.93Å; G163-S564 VanDerWaalsContact CA-CB 3.46Å; G163-S564 VanDerWaalsContact CA-OG 3.3Å; G163-S564 WeakPolarHBondContact CA-OG 3.13Å
565	S	79.8	Confident	89	Confident	33 Å²	33	28.9 Å²	28.9	23%	0.231	16%	0.156	C	C	.	.	S	Bend	trans	-83.3	-144.4	-176.7	70.6	0	0	0	0	111	Y563 I567	Y563-S565 WeakPolarHBondContact CD1-OG 3.38Å; Y563-S565 VanDerWaalsContact CE1-OG 3.25Å; Y563-S565 WeakPolarHBondContact CE1-OG 3.48Å; S565-I567 PolarHBondContact O-N 3.46Å
566	N	80.3	Confident	89	Confident	71 Å²	71	32.5 Å²	32.5	38%	0.38	17%	0.17	S	C	.	.	S	Bend	trans	-72.6	-4	174.5	73.4	-44.7	0	0	0	113.6	E523 E524	E523-N566 CarbonylContact C-O 3.27Å; E523-N566 VanDerWaalsContact CA-O 3.32Å; E523-N566 WeakPolarHBondContact CA-O 3.22Å; E523-N566 VanDerWaalsContact CG-ND2 3.33Å; E523-N566 WeakPolarHBondContact CG-ND2 3.41Å; E523-N566 PolarHBondContact OE1-ND2 2.95Å; E524-N566 PolarHBondContact N-O 3.07Å; E524-N566 WeakPolarHBondContact O-CB 3.17Å
567	I	85.4	Confident	89.1	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.5	174.1	-62.3	175.2	0	0	0	108.7	I521 V522 E523 L544 F550 Y563 S565	I521-I567 HydrophobicContact CG2-CG2 3.43Å; I521-I567 VanDerWaalsContact CG2-CG2 3.43Å; V522-I567 CarbonylContact O-C 3.47Å; V522-I567 WeakPolarHBondContact O-CA 3.21Å; E523-I567 HydrophobicContact CG-CG1 4.48Å; L544-I567 HydrophobicContact CD1-CD1 4.32Å; L544-I567 HydrophobicContact CD1-CG1 4.41Å; F550-I567 HydrophobicContact CE2-CD1 4.21Å; F550-I567 HydrophobicContact CZ-CD1 4.35Å; F550-I567 HydrophobicContact CZ-CG2 4.38Å; Y563-I567 CarbonylContact C-O 3.5Å; Y563-I567 VanDerWaalsContact CB-O 3.31Å; Y563-I567 WeakPolarHBondContact CB-O 3.28Å; Y563-I567 HydrophobicContact CD1-CB 3.86Å; Y563-I567 HydrophobicContact CD1-CG2 4.42Å; Y563-I567 HydrophobicContact CE1-CB 4.49Å; Y563-I567 HydrophobicContact CG-CB 4.32Å; Y563-I567 HydrophobicContact CG-CG2 4.39Å; S565-I567 PolarHBondContact O-N 3.46Å
568	F	84	Confident	89.1	Confident	63 Å²	63	36.8 Å²	36.8	28%	0.276	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.4	172.9	63.1	-85.1	0	0	0	112.3	V522 E524 E541	V522-F568 HydrophobicContact CB-CD1 4.3Å; V522-F568 HydrophobicContact CB-CD2 4.16Å; V522-F568 HydrophobicContact CB-CE1 3.83Å; V522-F568 HydrophobicContact CB-CE2 3.68Å; V522-F568 HydrophobicContact CB-CG 4.46Å; V522-F568 HydrophobicContact CB-CZ 3.52Å; V522-F568 HydrophobicContact CG1-CE1 3.61Å; V522-F568 HydrophobicContact CG1-CE2 3.96Å; V522-F568 HydrophobicContact CG1-CZ 3.29Å; V522-F568 HydrophobicContact CG2-CE2 4.19Å; V522-F568 HydrophobicContact CG2-CZ 4.36Å; V522-F568 PolarHBondContact N-O 2.84Å; V522-F568 WeakPolarHBondContact O-CD1 3.38Å; V522-F568 PolarHBondContact O-N 2.96Å; E524-F568 HydrophobicContact CB-CE1 4.12Å; E541-F568 HydrophobicContact CG-CE1 4.46Å; E541-F568 HydrophobicContact CG-CZ 4.17Å
569	F	89.7	Confident	89.1	Confident	13 Å²	13	36.9 Å²	36.9	6%	0.057	19%	0.189	C	C	.	.			trans	-154.7	160.9	173.7	46.5	-100.2	0	0	0	108.2	P517 I521 L553 A556 F557 G562 Y563 Y571	P517-F569 HydrophobicContact CB-CB 4.1Å; P517-F569 HydrophobicContact CB-CD1 4.21Å; P517-F569 HydrophobicContact CB-CD2 3.67Å; P517-F569 HydrophobicContact CB-CE2 4.16Å; P517-F569 HydrophobicContact CB-CG 3.71Å; P517-F569 HydrophobicContact CG-CD1 3.74Å; P517-F569 HydrophobicContact CG-CD2 3.63Å; P517-F569 HydrophobicContact CG-CE1 3.69Å; P517-F569 HydrophobicContact CG-CE2 3.65Å; P517-F569 HydrophobicContact CG-CG 3.7Å; P517-F569 HydrophobicContact CG-CZ 3.66Å; I521-F569 HydrophobicContact CG1-CB 4.44Å; I521-F569 HydrophobicContact CG1-CD1 4.05Å; I521-F569 HydrophobicContact CG2-CD1 4.47Å; L553-F569 HydrophobicContact CD2-CE1 3.59Å; L553-F569 HydrophobicContact CD2-CZ 3.7Å; A556-F569 HydrophobicContact CB-CZ 4.5Å; F557-F569 HydrophobicContact CE2-CE2 4.36Å; F557-F569 HydrophobicContact CE2-CZ 4.45Å; G562-F569 WeakPolarHBondContact CA-O 3.04Å; Y563-F569 HydrophobicContact CD2-CE1 4.13Å; Y563-F569 HydrophobicContact CD2-CZ 4.33Å; Y563-F569 HydrophobicContact CG-CE1 4.29Å; F569-Y571 HydrophobicContact CD2-CD1 4.27Å; F569-Y571 HydrophobicContact CD2-CE1 4.04Å; F569-Y571 HydrophobicContact CE2-CD1 4.31Å; F569-Y571 AromaticContact CE2-CE1 3.64Å; F569-Y571 HydrophobicContact CE2-CE1 3.64Å
570	S	88.5	Confident	89.2	Confident	69 Å²	69	38.6 Å²	38.6	48%	0.483	20%	0.199	S	C	.	.			trans	-108.4	151.6	175.7	54.5	0	0	0	0	111.2	N519	N519-S570 WeakPolarHBondContact CB-O 3.31Å; N519-S570 PolarHBondContact ND2-O 2.99Å; N519-S570 PolarHBondContact ND2-OG 2.68Å
571	Y	92.1	Very high	89.6	Confident	21 Å²	21	38.3 Å²	38.3	8%	0.082	20%	0.197	C	C	.	.			trans	-83.3	139.8	177	-77	0.5	0	0	0	113.8	F557 E561 F569 D575 Y576	F557-Y571 WeakPolarHBondContact CA-OH 3.25Å; F557-Y571 HydrophobicContact CD1-CE1 4.35Å; F557-Y571 HydrophobicContact CD1-CE2 4.41Å; F557-Y571 AromaticContact CD1-CZ 3.8Å; F557-Y571 VanDerWaalsContact CD1-OH 3.31Å; F557-Y571 WeakPolarHBondContact CD1-OH 3.44Å; F557-Y571 HydrophobicContact CD2-CE1 4.48Å; F557-Y571 VanDerWaalsContact CD2-OH 3.31Å; F557-Y571 WeakPolarHBondContact CD2-OH 3.26Å; F557-Y571 AromaticContact CE1-CE1 3.88Å; F557-Y571 HydrophobicContact CE1-CE1 3.88Å; F557-Y571 HydrophobicContact CE1-CE2 4.49Å; F557-Y571 AromaticContact CE1-CZ 3.77Å; F557-Y571 HydrophobicContact CE2-CE1 4.07Å; F557-Y571 WeakPolarHBondContact CG-OH 3.39Å; F557-Y571 AromaticContact CZ-CE1 3.73Å; F557-Y571 HydrophobicContact CZ-CE1 3.73Å; E561-Y571 HydrophobicContact CB-CD2 4.12Å; E561-Y571 HydrophobicContact CB-CE2 4.09Å; E561-Y571 HydrophobicContact CG-CD2 4.15Å; E561-Y571 HydrophobicContact CG-CE2 4.04Å; F569-Y571 HydrophobicContact CD2-CD1 4.27Å; F569-Y571 HydrophobicContact CD2-CE1 4.04Å; F569-Y571 HydrophobicContact CE2-CD1 4.31Å; F569-Y571 AromaticContact CE2-CE1 3.64Å; F569-Y571 HydrophobicContact CE2-CE1 3.64Å; Y571-D575 WeakPolarHBondContact CA-OD2 3.34Å; Y571-D575 HydrophobicContact CD1-CB 3.51Å; Y571-D575 HydrophobicContact CD2-CB 4.19Å; Y571-D575 HydrophobicContact CE1-CB 3.99Å; Y571-D575 HydrophobicContact CG-CB 3.61Å; Y571-Y576 AromaticContact CD2-CD1 3.85Å; Y571-Y576 HydrophobicContact CD2-CD1 3.85Å; Y571-Y576 AromaticContact CD2-CE1 3.85Å; Y571-Y576 HydrophobicContact CD2-CE1 3.85Å; Y571-Y576 HydrophobicContact CD2-CG 4.28Å
572	N	92.2	Very high	90.1	Very high	55 Å²	55	36 Å²	36	29%	0.294	19%	0.186	S	C	.	.			trans	-102.1	-176	158.2	79.3	2.4	0	0	0	111.1	S518 A574 D575 Y576	S518-N572 VanDerWaalsContact CB-CG 3.46Å; S518-N572 WeakPolarHBondContact CB-ND2 3.2Å; S518-N572 PolarHBondContact OG-ND2 3.4Å; S518-N572 PolarHBondContact OG-OD1 2.92Å; N572-A574 VanDerWaalsContact C-N 3.28Å; N572-A574 PolarHBondContact O-N 3.25Å; N572-A574 WeakPolarHBondContact OD1-CA 3.47Å; N572-A574 WeakPolarHBondContact OD1-CB 3.37Å; N572-A574 PolarHBondContact OD1-N 2.9Å; N572-D575 PolarHBondContact N-OD2 2.95Å; N572-D575 PolarHBondContact O-N 3.27Å; N572-D575 VanDerWaalsContact OD1-CG 3.22Å; N572-D575 PolarHBondContact OD1-N 3.49Å; N572-D575 PolarHBondContact OD1-OD2 3.46Å; N572-D575 VanDerWaalsContact OD1-OD2 3.08Å; N572-Y576 WeakPolarHBondContact O-CD2 3.32Å; N572-Y576 PolarHBondContact O-N 2.7Å
573	D	93.1	Very high	90.9	Very high	127 Å²	127	35.9 Å²	35.9	68%	0.679	19%	0.185	S	C	*	.	H	α-helix	trans	-59.4	-32.8	-179.8	-66.5	-13.8	0	0	0	114.5	K577	D573-K577 VanDerWaalsContact O-CG 3.24Å; D573-K577 WeakPolarHBondContact O-CG 3.3Å; D573-K577 PolarHBondContact O-N 3.18Å
574	A	94	Very high	91.8	Very high	19 Å²	19	39.4 Å²	39.4	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-44	177.2	0	0	0	0	0	110.5	N572 Y576 K577 V578 W620	N572-A574 VanDerWaalsContact C-N 3.28Å; N572-A574 PolarHBondContact O-N 3.25Å; N572-A574 WeakPolarHBondContact OD1-CA 3.47Å; N572-A574 WeakPolarHBondContact OD1-CB 3.37Å; N572-A574 PolarHBondContact OD1-N 2.9Å; A574-Y576 VanDerWaalsContact C-N 3.33Å; A574-Y576 PolarHBondContact O-N 3.42Å; A574-K577 PolarHBondContact O-N 3.14Å; A574-K577 VanDerWaalsContact O-N 3.12Å; A574-V578 WeakPolarHBondContact O-CG2 3.3Å; A574-V578 PolarHBondContact O-N 3.36Å; A574-W620 HydrophobicContact CB-CB 4.31Å; A574-W620 HydrophobicContact CB-CG 4.19Å
575	D	95.7	Very high	92.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-42.6	178.6	-48.9	-42.8	0	0	0	110.6	H515 S518 F557 Y571 N572 K577 V578 S579	H515-D575 IonicContact CE1-OD1 2.98Å; H515-D575 IonicContact NE2-OD1 3.25Å; H515-D575 PolarHBondContact NE2-OD1 2.83Å; H515-D575 VanDerWaalsContact NE2-OD1 3.11Å; S518-D575 PolarHBondContact N-OD1 2.87Å; S518-D575 PolarHBondContact OG-OD1 3.14Å; S518-D575 VanDerWaalsContact OG-OD1 3.05Å; F557-D575 HydrophobicContact CE1-CB 3.97Å; F557-D575 HydrophobicContact CZ-CB 4.28Å; Y571-D575 WeakPolarHBondContact CA-OD2 3.34Å; Y571-D575 HydrophobicContact CD1-CB 3.51Å; Y571-D575 HydrophobicContact CD2-CB 4.19Å; Y571-D575 HydrophobicContact CE1-CB 3.99Å; Y571-D575 HydrophobicContact CG-CB 3.61Å; N572-D575 PolarHBondContact N-OD2 2.95Å; N572-D575 PolarHBondContact O-N 3.27Å; N572-D575 VanDerWaalsContact OD1-CG 3.22Å; N572-D575 PolarHBondContact OD1-N 3.49Å; N572-D575 PolarHBondContact OD1-OD2 3.46Å; N572-D575 VanDerWaalsContact OD1-OD2 3.08Å; D575-K577 PolarHBondContact O-N 3.32Å; D575-V578 PolarHBondContact O-N 3.42Å; D575-S579 WeakPolarHBondContact O-CB 3.5Å; D575-S579 PolarHBondContact O-N 2.91Å
576	Y	95.6	Very high	93.7	Very high	99 Å²	99	37.6 Å²	37.6	39%	0.388	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-36.9	174.1	-78.7	-64.5	0	0	0	113.4	E561 Y571 N572 A574 D580	E561-Y576 HydrophobicContact CG-CE1 4.36Å; Y571-Y576 AromaticContact CD2-CD1 3.85Å; Y571-Y576 HydrophobicContact CD2-CD1 3.85Å; Y571-Y576 AromaticContact CD2-CE1 3.85Å; Y571-Y576 HydrophobicContact CD2-CE1 3.85Å; Y571-Y576 HydrophobicContact CD2-CG 4.28Å; N572-Y576 WeakPolarHBondContact O-CD2 3.32Å; N572-Y576 PolarHBondContact O-N 2.7Å; A574-Y576 VanDerWaalsContact C-N 3.33Å; A574-Y576 PolarHBondContact O-N 3.42Å; Y576-D580 WeakPolarHBondContact O-CB 3.3Å; Y576-D580 PolarHBondContact O-N 2.78Å
577	K	96.1	Very high	94.6	Very high	90 Å²	90	34.3 Å²	34.3	39%	0.391	17%	0.167	S	C	.	.	H	α-helix	trans	-68.8	-40.4	176.7	-74.3	170.5	-172.7	173.6	0	111.7	D573 A574 D575 A581 W620	D573-K577 VanDerWaalsContact O-CG 3.24Å; D573-K577 WeakPolarHBondContact O-CG 3.3Å; D573-K577 PolarHBondContact O-N 3.18Å; A574-K577 PolarHBondContact O-N 3.14Å; A574-K577 VanDerWaalsContact O-N 3.12Å; D575-K577 PolarHBondContact O-N 3.32Å; K577-A581 VanDerWaalsContact O-CB 3.31Å; K577-A581 WeakPolarHBondContact O-CB 3.16Å; K577-A581 PolarHBondContact O-N 2.71Å; K577-W620 HydrophobicContact CB-CD2 4.36Å; K577-W620 HydrophobicContact CB-CE3 3.9Å; K577-W620 HydrophobicContact CB-CH2 4.14Å; K577-W620 HydrophobicContact CB-CZ3 3.78Å; K577-W620 HydrophobicContact CD-CD2 4.38Å; K577-W620 HydrophobicContact CD-CH2 3.7Å; K577-W620 HydrophobicContact CD-CZ2 3.53Å; K577-W620 HydrophobicContact CD-CZ3 4.19Å; K577-W620 HydrophobicContact CG-CH2 4.37Å; K577-W620 HydrophobicContact CG-CZ3 4.49Å
578	V	96.9	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-46.1	174.2	172.2	0	0	0	0	110.2	F513 H515 F557 A574 D575 A581 W582 I618 W620	F513-V578 HydrophobicContact CZ-CG1 4.4Å; H515-V578 HydrophobicContact CB-CG1 4.19Å; F557-V578 HydrophobicContact CD1-CB 4.31Å; F557-V578 HydrophobicContact CD1-CG1 3.93Å; F557-V578 HydrophobicContact CE1-CB 4.22Å; F557-V578 HydrophobicContact CE1-CG1 4.1Å; A574-V578 WeakPolarHBondContact O-CG2 3.3Å; A574-V578 PolarHBondContact O-N 3.36Å; D575-V578 PolarHBondContact O-N 3.42Å; V578-A581 PolarHBondContact O-N 2.89Å; V578-W582 WeakPolarHBondContact O-CB 3.49Å; V578-W582 PolarHBondContact O-N 3.43Å; V578-I618 HydrophobicContact CG1-CG2 3.71Å; V578-W620 HydrophobicContact CG2-CB 3.94Å; V578-W620 HydrophobicContact CG2-CE3 4.44Å
579	S	97	Very high	96	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-49.1	176.3	179.7	0	0	0	0	112.2	F557 D575 A581 W582 C583	F557-S579 WeakPolarHBondContact O-CB 3.41Å; F557-S579 PolarHBondContact O-OG 3.09Å; D575-S579 WeakPolarHBondContact O-CB 3.5Å; D575-S579 PolarHBondContact O-N 2.91Å; S579-A581 PolarHBondContact O-N 2.7Å; S579-W582 PolarHBondContact O-N 2.79Å; S579-C583 WeakPolarHBondContact O-CB 3.4Å; S579-C583 PolarHBondContact O-N 3.24Å; S579-C583 PolarHBondContact O-SG 3.42Å
580	D	97.5	Very high	96.4	Very high	37 Å²	37	31.5 Å²	31.5	20%	0.198	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-43.8	177.9	174	68.6	0	0	0	112.2	K176 Y576 R584 H601	K176-D580 IonicContact NZ-OD1 2.96Å; K176-D580 PolarHBondContact NZ-OD1 3.42Å; Y576-D580 WeakPolarHBondContact O-CB 3.3Å; Y576-D580 PolarHBondContact O-N 2.78Å; D580-R584 VanDerWaalsContact CG-NE 3.28Å; D580-R584 WeakPolarHBondContact O-CB 3.33Å; D580-R584 VanDerWaalsContact O-CG 3.25Å; D580-R584 WeakPolarHBondContact O-CG 3.15Å; D580-R584 PolarHBondContact O-N 3.22Å; D580-R584 IonicContact OD1-CZ 3.15Å; D580-R584 IonicContact OD1-NE 2.85Å; D580-R584 PolarHBondContact OD1-NE 2.63Å; D580-R584 IonicContact OD1-NH2 3.31Å; D580-R584 PolarHBondContact OD1-NH2 2.73Å; D580-R584 IonicContact OD2-CZ 2.74Å; D580-R584 IonicContact OD2-NE 3.77Å; D580-R584 PolarHBondContact OD2-NE 2.77Å; D580-R584 IonicContact OD2-NH2 3.52Å; D580-R584 PolarHBondContact OD2-NH2 2.66Å; D580-H601 IonicContact OD2-CD2 3.74Å; D580-H601 IonicContact OD2-CE1 3.07Å; D580-H601 IonicContact OD2-NE2 2.93Å; D580-H601 PolarHBondContact OD2-NE2 3.27Å
581	A	98.1	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-48.3	176.8	0	0	0	0	0	111.7	K577 V578 S579 C583 R584 F585 V600 L622	K577-A581 VanDerWaalsContact O-CB 3.31Å; K577-A581 WeakPolarHBondContact O-CB 3.16Å; K577-A581 PolarHBondContact O-N 2.71Å; V578-A581 PolarHBondContact O-N 2.89Å; S579-A581 PolarHBondContact O-N 2.7Å; A581-C583 PolarHBondContact O-N 2.89Å; A581-R584 WeakPolarHBondContact O-CB 3.38Å; A581-R584 PolarHBondContact O-N 3.44Å; A581-R584 VanDerWaalsContact O-N 3.14Å; A581-F585 HydrophobicContact CB-CE2 4.03Å; A581-F585 WeakPolarHBondContact O-CD2 3.31Å; A581-F585 WeakPolarHBondContact O-CG 3.3Å; A581-F585 PolarHBondContact O-N 3.05Å; A581-V600 HydrophobicContact CB-CG1 4.18Å; A581-L622 HydrophobicContact CB-CD1 3.46Å; A581-L622 VanDerWaalsContact CB-CD1 3.46Å
582	W	97.9	Very high	97.1	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-47.1	-179	-176.1	-137.7	0	0	0	112	M261 L397 Y511 D554 V578 S579 R584 F585 I586 W605 I618	M261-W582 HydrophobicContact CE-CZ2 4.07Å; L397-W582 HydrophobicContact CD2-CH2 3.78Å; L397-W582 HydrophobicContact CD2-CZ3 4.26Å; Y511-W582 AromaticContact CD1-CH2 3.74Å; Y511-W582 HydrophobicContact CD1-CH2 3.74Å; Y511-W582 HydrophobicContact CD1-CZ3 4.29Å; Y511-W582 HydrophobicContact CD2-CH2 4.23Å; Y511-W582 AromaticContact CE1-CH2 3.51Å; Y511-W582 HydrophobicContact CE1-CH2 3.51Å; Y511-W582 HydrophobicContact CE1-CZ2 4.15Å; Y511-W582 HydrophobicContact CE1-CZ3 4.47Å; Y511-W582 HydrophobicContact CE2-CH2 4.04Å; Y511-W582 HydrophobicContact CE2-CZ2 4.21Å; Y511-W582 HydrophobicContact CG-CH2 4.09Å; Y511-W582 HydrophobicContact CG-CZ3 4.37Å; Y511-W582 AromaticContact CZ-CH2 3.67Å; Y511-W582 AromaticContact CZ-CZ2 3.87Å; D554-W582 PolarHBondContact O-NE1 3.16Å; V578-W582 WeakPolarHBondContact O-CB 3.49Å; V578-W582 PolarHBondContact O-N 3.43Å; S579-W582 PolarHBondContact O-N 2.79Å; W582-R584 VanDerWaalsContact C-N 3.31Å; W582-R584 PolarHBondContact O-N 3.27Å; W582-F585 HydrophobicContact CE3-CB 4.33Å; W582-F585 HydrophobicContact CE3-CD2 4.21Å; W582-F585 PolarHBondContact O-N 3.28Å; W582-I586 HydrophobicContact CD2-CD1 3.79Å; W582-I586 HydrophobicContact CD2-CG1 4.36Å; W582-I586 VanDerWaalsContact CE2-CD1 3.44Å; W582-I586 HydrophobicContact CE3-CD1 4.35Å; W582-I586 HydrophobicContact CE3-CG1 4.44Å; W582-I586 HydrophobicContact CG-CD1 4.2Å; W582-I586 HydrophobicContact CH2-CD1 4.28Å; W582-I586 HydrophobicContact CH2-CG1 4.33Å; W582-I586 HydrophobicContact CZ2-CD1 3.73Å; W582-I586 HydrophobicContact CZ2-CG1 4.26Å; W582-I586 HydrophobicContact CZ3-CG1 4.42Å; W582-I586 PolarHBondContact O-N 3.3Å; W582-W605 HydrophobicContact CZ3-CH2 4.32Å; W582-W605 HydrophobicContact CZ3-CZ3 4.25Å; W582-I618 HydrophobicContact CD2-CD1 3.91Å; W582-I618 HydrophobicContact CE3-CD1 3.35Å; W582-I618 HydrophobicContact CE3-CG1 4.48Å; W582-I618 HydrophobicContact CH2-CD1 3.94Å; W582-I618 HydrophobicContact CZ2-CD1 4.4Å; W582-I618 HydrophobicContact CZ3-CD1 3.38Å
583	C	98.5	Very high	97.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-32.6	177.2	-62.8	0	0	0	0	112.5	N172 S579 A581 T587	N172-C583 HydrophobicContact CB-CB 4.2Å; S579-C583 WeakPolarHBondContact O-CB 3.4Å; S579-C583 PolarHBondContact O-N 3.24Å; S579-C583 PolarHBondContact O-SG 3.42Å; A581-C583 PolarHBondContact O-N 2.89Å; C583-T587 WeakPolarHBondContact O-CB 3.27Å; C583-T587 VanDerWaalsContact O-CG2 3.28Å; C583-T587 WeakPolarHBondContact O-CG2 3.26Å; C583-T587 PolarHBondContact O-N 3.08Å; C583-T587 PolarHBondContact O-OG1 2.87Å
584	R	98.6	Very high	97.6	Very high	110 Å²	110	28 Å²	28	42%	0.415	14%	0.136	S	C	.	.	H	α-helix	trans	-68.1	-43.1	172.4	-75.3	174	-166.5	-133.8	7.9	112.1	K176 D580 A581 W582 I586 T587 N588 V600	K176-R584 HydrophobicContact CD-CG 4.18Å; D580-R584 VanDerWaalsContact CG-NE 3.28Å; D580-R584 WeakPolarHBondContact O-CB 3.33Å; D580-R584 VanDerWaalsContact O-CG 3.25Å; D580-R584 WeakPolarHBondContact O-CG 3.15Å; D580-R584 PolarHBondContact O-N 3.22Å; D580-R584 IonicContact OD1-CZ 3.15Å; D580-R584 IonicContact OD1-NE 2.85Å; D580-R584 PolarHBondContact OD1-NE 2.63Å; D580-R584 IonicContact OD1-NH2 3.31Å; D580-R584 PolarHBondContact OD1-NH2 2.73Å; D580-R584 IonicContact OD2-CZ 2.74Å; D580-R584 IonicContact OD2-NE 3.77Å; D580-R584 PolarHBondContact OD2-NE 2.77Å; D580-R584 IonicContact OD2-NH2 3.52Å; D580-R584 PolarHBondContact OD2-NH2 2.66Å; A581-R584 WeakPolarHBondContact O-CB 3.38Å; A581-R584 PolarHBondContact O-N 3.44Å; A581-R584 VanDerWaalsContact O-N 3.14Å; W582-R584 VanDerWaalsContact C-N 3.31Å; W582-R584 PolarHBondContact O-N 3.27Å; R584-I586 VanDerWaalsContact C-N 3.34Å; R584-I586 PolarHBondContact O-N 3.49Å; R584-T587 PolarHBondContact O-N 2.8Å; R584-T587 PolarHBondContact O-OG1 3.42Å; R584-N588 WeakPolarHBondContact O-CB 3.42Å; R584-N588 PolarHBondContact O-N 3.46Å; R584-N588 PolarHBondContact O-ND2 2.92Å; R584-V600 HydrophobicContact CB-CG1 3.89Å; R584-V600 HydrophobicContact CB-CG2 4.13Å
585	F	98.6	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-48.3	175.6	-65.2	-50.2	0	0	0	111	A581 W582 F589 P595 T596 V600 I603 W605 L616 L622	A581-F585 HydrophobicContact CB-CE2 4.03Å; A581-F585 WeakPolarHBondContact O-CD2 3.31Å; A581-F585 WeakPolarHBondContact O-CG 3.3Å; A581-F585 PolarHBondContact O-N 3.05Å; W582-F585 HydrophobicContact CE3-CB 4.33Å; W582-F585 HydrophobicContact CE3-CD2 4.21Å; W582-F585 PolarHBondContact O-N 3.28Å; F585-F589 VanDerWaalsContact O-CB 3.27Å; F585-F589 WeakPolarHBondContact O-CB 3.07Å; F585-F589 PolarHBondContact O-N 2.99Å; F585-P595 HydrophobicContact CB-CB 4.01Å; F585-P595 HydrophobicContact CD1-CB 4.07Å; F585-P595 HydrophobicContact CG-CB 4.45Å; F585-T596 HydrophobicContact CD1-CG2 3.7Å; F585-T596 HydrophobicContact CE1-CG2 3.4Å; F585-V600 HydrophobicContact CD1-CB 4.14Å; F585-V600 HydrophobicContact CD1-CG1 4.35Å; F585-V600 HydrophobicContact CD1-CG2 4.22Å; F585-V600 HydrophobicContact CE1-CB 3.56Å; F585-V600 HydrophobicContact CE1-CG1 3.9Å; F585-V600 HydrophobicContact CE1-CG2 4.1Å; F585-V600 HydrophobicContact CZ-CB 4.03Å; F585-V600 HydrophobicContact CZ-CG1 3.97Å; F585-I603 HydrophobicContact CZ-CB 4.48Å; F585-I603 HydrophobicContact CZ-CG2 4.47Å; F585-W605 HydrophobicContact CB-CE3 4.25Å; F585-W605 HydrophobicContact CB-CZ3 3.99Å; F585-W605 AromaticContact CD1-CE3 3.99Å; F585-W605 HydrophobicContact CD1-CE3 3.99Å; F585-W605 HydrophobicContact CD2-CZ3 4.49Å; F585-W605 HydrophobicContact CE1-CE3 4.47Å; F585-W605 HydrophobicContact CG-CE3 4.02Å; F585-W605 HydrophobicContact CG-CZ3 4.13Å; F585-L616 HydrophobicContact CD2-CD2 3.79Å; F585-L616 HydrophobicContact CE2-CD2 3.54Å; F585-L616 HydrophobicContact CG-CD2 4.44Å; F585-L616 HydrophobicContact CZ-CD2 3.95Å; F585-L622 HydrophobicContact CE2-CD1 4.2Å; F585-L622 HydrophobicContact CE2-CD2 4.41Å; F585-L622 HydrophobicContact CZ-CD1 4.25Å
586	I	98.7	Very high	97.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-51.9	178.2	-74.8	163.9	0	0	0	111.9	I147 M233 I259 I558 W582 R584 N588 F589 A590	I147-I586 HydrophobicContact CD1-CG2 3.66Å; M233-I586 HydrophobicContact CE-CD1 4.12Å; M233-I586 HydrophobicContact SD-CG2 4.07Å; I259-I586 HydrophobicContact CD1-CB 4.34Å; I259-I586 HydrophobicContact CD1-CG1 4.34Å; I259-I586 HydrophobicContact CD1-CG2 3.73Å; I558-I586 HydrophobicContact CD1-CD1 3.34Å; I558-I586 HydrophobicContact CG1-CD1 4.02Å; W582-I586 HydrophobicContact CD2-CD1 3.79Å; W582-I586 HydrophobicContact CD2-CG1 4.36Å; W582-I586 VanDerWaalsContact CE2-CD1 3.44Å; W582-I586 HydrophobicContact CE3-CD1 4.35Å; W582-I586 HydrophobicContact CE3-CG1 4.44Å; W582-I586 HydrophobicContact CG-CD1 4.2Å; W582-I586 HydrophobicContact CH2-CD1 4.28Å; W582-I586 HydrophobicContact CH2-CG1 4.33Å; W582-I586 HydrophobicContact CZ2-CD1 3.73Å; W582-I586 HydrophobicContact CZ2-CG1 4.26Å; W582-I586 HydrophobicContact CZ3-CG1 4.42Å; W582-I586 PolarHBondContact O-N 3.3Å; R584-I586 VanDerWaalsContact C-N 3.34Å; R584-I586 PolarHBondContact O-N 3.49Å; I586-N588 PolarHBondContact O-N 2.85Å; I586-F589 PolarHBondContact O-N 3.16Å; I586-A590 PolarHBondContact O-N 3.32Å
587	T	98.8	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-33.9	-176.3	53.6	0	0	0	0	112.4	I173 K176 V178 C583 R584 K591	I173-T587 HydrophobicContact CG2-CG2 4.3Å; K176-T587 HydrophobicContact CB-CG2 4.06Å; K176-T587 HydrophobicContact CD-CG2 4.24Å; V178-T587 HydrophobicContact CB-CG2 4.38Å; V178-T587 HydrophobicContact CG2-CG2 3.95Å; C583-T587 WeakPolarHBondContact O-CB 3.27Å; C583-T587 VanDerWaalsContact O-CG2 3.28Å; C583-T587 WeakPolarHBondContact O-CG2 3.26Å; C583-T587 PolarHBondContact O-N 3.08Å; C583-T587 PolarHBondContact O-OG1 2.87Å; R584-T587 PolarHBondContact O-N 2.8Å; R584-T587 PolarHBondContact O-OG1 3.42Å; T587-K591 VanDerWaalsContact O-CD 3.3Å; T587-K591 WeakPolarHBondContact O-CD 3.43Å; T587-K591 WeakPolarHBondContact O-CG 3.5Å; T587-K591 PolarHBondContact O-N 3.4Å; T587-K591 VanDerWaalsContact O-N 3.08Å
588	N	98.8	Very high	98	Very high	28 Å²	28	27.9 Å²	27.9	15%	0.15	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-41.2	171.9	-72.7	-17	0	0	0	111.9	R584 I586 K591 T592 N594 P595 P597	R584-N588 WeakPolarHBondContact O-CB 3.42Å; R584-N588 PolarHBondContact O-N 3.46Å; R584-N588 PolarHBondContact O-ND2 2.92Å; I586-N588 PolarHBondContact O-N 2.85Å; N588-K591 PolarHBondContact O-N 2.86Å; N588-T592 PolarHBondContact O-N 3Å; N588-T592 PolarHBondContact O-OG1 2.6Å; N588-N594 CarbonylContact C-O 3.54Å; N588-N594 VanDerWaalsContact C-O 3.27Å; N588-P595 VanDerWaalsContact CB-O 3.24Å; N588-P595 WeakPolarHBondContact CB-O 3.29Å; N588-P595 PolarHBondContact ND2-O 3.34Å; N588-P597 HydrophobicContact CB-CG 4.18Å
589	F	98.7	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-45.7	175.5	-179.7	-103.9	0	0	0	111.2	R257 A258 I259 P395 L397 Y509 F585 I586 K591 T592 G593 N594 P595	R257-F589 HydrophobicContact CB-CE1 3.81Å; R257-F589 HydrophobicContact CB-CZ 4.13Å; R257-F589 WeakPolarHBondContact CD-O 3.39Å; R257-F589 PolarHBondContact NE-O 3.5Å; A258-F589 WeakPolarHBondContact O-CE1 3.48Å; I259-F589 HydrophobicContact CD1-CD1 3.98Å; I259-F589 HydrophobicContact CG1-CD1 3.69Å; I259-F589 HydrophobicContact CG1-CE1 3.87Å; P395-F589 HydrophobicContact CB-CE2 4.25Å; P395-F589 HydrophobicContact CB-CZ 4.21Å; P395-F589 HydrophobicContact CG-CZ 4.39Å; L397-F589 HydrophobicContact CB-CD1 4.03Å; L397-F589 HydrophobicContact CB-CD2 4.46Å; L397-F589 HydrophobicContact CB-CE1 3.92Å; L397-F589 HydrophobicContact CB-CE2 4.38Å; L397-F589 HydrophobicContact CB-CG 4.29Å; L397-F589 HydrophobicContact CB-CZ 4.11Å; L397-F589 HydrophobicContact CD1-CB 4.18Å; L397-F589 HydrophobicContact CD1-CD1 4.38Å; L397-F589 HydrophobicContact CD1-CG 4.17Å; Y509-F589 HydrophobicContact CD2-CD2 4.1Å; Y509-F589 AromaticContact CD2-CE2 3.78Å; Y509-F589 HydrophobicContact CD2-CE2 3.78Å; Y509-F589 HydrophobicContact CE2-CD2 4.29Å; Y509-F589 HydrophobicContact CE2-CE2 4.04Å; F585-F589 VanDerWaalsContact O-CB 3.27Å; F585-F589 WeakPolarHBondContact O-CB 3.07Å; F585-F589 PolarHBondContact O-N 2.99Å; I586-F589 PolarHBondContact O-N 3.16Å; F589-K591 VanDerWaalsContact C-N 3.26Å; F589-K591 PolarHBondContact O-N 3.49Å; F589-T592 PolarHBondContact O-N 3.25Å; F589-G593 WeakPolarHBondContact CD2-O 3.42Å; F589-G593 WeakPolarHBondContact CE2-O 3.34Å; F589-G593 WeakPolarHBondContact O-CA 3.24Å; F589-G593 PolarHBondContact O-N 3.01Å; F589-N594 PolarHBondContact N-O 3.11Å; F589-P595 HydrophobicContact CB-CB 4.5Å; F589-P595 HydrophobicContact CB-CG 4.19Å; F589-P595 HydrophobicContact CD2-CG 4.08Å; F589-P595 HydrophobicContact CG-CG 4.5Å
590	A	98.7	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-37.8	175.2	0	0	0	0	0	112.5	I147 T231 R257 I586	I147-A590 HydrophobicContact CD1-CB 3.77Å; I147-A590 HydrophobicContact CG1-CB 3.63Å; T231-A590 WeakPolarHBondContact OG1-CA 3.48Å; R257-A590 PolarHBondContact NH1-O 2.92Å; I586-A590 PolarHBondContact O-N 3.32Å
591	K	98.5	Very high	98	Very high	62 Å²	62	33.8 Å²	33.8	27%	0.27	18%	0.175	S	C	.	.	H	α-helix	trans	-72.8	-41.5	177.9	-70.9	161.4	-173.8	176.2	0	114.4	P145 K176 V178 T587 N588 F589	P145-K591 HydrophobicContact CB-CG 4.41Å; P145-K591 HydrophobicContact CG-CB 4.15Å; P145-K591 HydrophobicContact CG-CG 3.72Å; K176-K591 WeakPolarHBondContact O-CE 3.39Å; K176-K591 PolarHBondContact O-NZ 2.89Å; V178-K591 HydrophobicContact CG2-CG 4.26Å; T587-K591 VanDerWaalsContact O-CD 3.3Å; T587-K591 WeakPolarHBondContact O-CD 3.43Å; T587-K591 WeakPolarHBondContact O-CG 3.5Å; T587-K591 PolarHBondContact O-N 3.4Å; T587-K591 VanDerWaalsContact O-N 3.08Å; N588-K591 PolarHBondContact O-N 2.86Å; F589-K591 VanDerWaalsContact C-N 3.26Å; F589-K591 PolarHBondContact O-N 3.49Å
592	T	97.8	Very high	97.9	Very high	72 Å²	72	37.1 Å²	37.1	44%	0.442	21%	0.209	S	C	.	.	H	α-helix	trans	-128	-14.8	-161.6	68.4	0	0	0	0	114.3	N588 F589 N594 P597	N588-T592 PolarHBondContact O-N 3Å; N588-T592 PolarHBondContact O-OG1 2.6Å; F589-T592 PolarHBondContact O-N 3.25Å; T592-N594 PolarHBondContact O-N 2.82Å; T592-N594 PolarHBondContact OG1-N 3.4Å; T592-N594 VanDerWaalsContact OG1-N 3.1Å; T592-N594 PolarHBondContact OG1-O 3.02Å; T592-P597 HydrophobicContact CG2-CB 4.48Å; T592-P597 HydrophobicContact CG2-CG 4.4Å
593	G	97.1	Very high	97.9	Very high	11 Å²	11	38.4 Å²	38.4	11%	0.113	22%	0.216	C	C	.	.	S	Bend	trans	77.1	-1.3	-166.9	0	0	0	0	0	114	R257 Y509 F589	R257-G593 VanDerWaalsContact NE-CA 3.27Å; R257-G593 VanDerWaalsContact NE-N 3.14Å; Y509-G593 WeakPolarHBondContact CE2-O 3.37Å; F589-G593 WeakPolarHBondContact CD2-O 3.42Å; F589-G593 WeakPolarHBondContact CE2-O 3.34Å; F589-G593 WeakPolarHBondContact O-CA 3.24Å; F589-G593 PolarHBondContact O-N 3.01Å
594	N	97.8	Very high	97.8	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.283	24%	0.24	S	C	.	.			trans	-119.9	124.5	174.7	-178.6	-10.7	0	0	0	108.9	N588 F589 T592 T596 P597	N588-N594 CarbonylContact C-O 3.54Å; N588-N594 VanDerWaalsContact C-O 3.27Å; F589-N594 PolarHBondContact N-O 3.11Å; T592-N594 PolarHBondContact O-N 2.82Å; T592-N594 PolarHBondContact OG1-N 3.4Å; T592-N594 VanDerWaalsContact OG1-N 3.1Å; T592-N594 PolarHBondContact OG1-O 3.02Å; N594-T596 PolarHBondContact O-N 3.05Å; N594-T596 VanDerWaalsContact OD1-C 3.31Å; N594-T596 PolarHBondContact OD1-N 2.97Å; N594-T596 PolarHBondContact OD1-O 2.98Å; N594-P597 WeakPolarHBondContact O-CD 3.42Å
595	P	98.2	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-66.4	-23.7	176.6	-20.1	32.8	0	0	0	113.9	L397 Y509 F585 N588 F589 W605	L397-P595 HydrophobicContact CD1-CG 4.22Å; Y509-P595 VanDerWaalsContact CD1-CD 3.43Å; Y509-P595 HydrophobicContact CD1-CG 3.59Å; Y509-P595 HydrophobicContact CD2-CG 4.12Å; Y509-P595 HydrophobicContact CE1-CG 3.96Å; Y509-P595 HydrophobicContact CE2-CG 4.46Å; Y509-P595 HydrophobicContact CG-CG 3.66Å; F585-P595 HydrophobicContact CB-CB 4.01Å; F585-P595 HydrophobicContact CD1-CB 4.07Å; F585-P595 HydrophobicContact CG-CB 4.45Å; N588-P595 VanDerWaalsContact CB-O 3.24Å; N588-P595 WeakPolarHBondContact CB-O 3.29Å; N588-P595 PolarHBondContact ND2-O 3.34Å; F589-P595 HydrophobicContact CB-CB 4.5Å; F589-P595 HydrophobicContact CB-CG 4.19Å; F589-P595 HydrophobicContact CD2-CG 4.08Å; F589-P595 HydrophobicContact CG-CG 4.5Å; P595-W605 HydrophobicContact CB-CD2 4.25Å; P595-W605 HydrophobicContact CB-CE3 3.48Å; P595-W605 VanDerWaalsContact CB-CE3 3.48Å; P595-W605 HydrophobicContact CB-CZ3 3.92Å; P595-W605 HydrophobicContact CG-CD2 4.18Å; P595-W605 HydrophobicContact CG-CE3 3.75Å; P595-W605 HydrophobicContact CG-CZ3 4.02Å
596	T	97.9	Very high	97.3	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.049	24%	0.239	C	C	.	.			trans	-130.2	67	-179.6	56.2	0	0	0	0	111.9	F585 N594 Q598 V600 I603 W605	F585-T596 HydrophobicContact CD1-CG2 3.7Å; F585-T596 HydrophobicContact CE1-CG2 3.4Å; N594-T596 PolarHBondContact O-N 3.05Å; N594-T596 VanDerWaalsContact OD1-C 3.31Å; N594-T596 PolarHBondContact OD1-N 2.97Å; N594-T596 PolarHBondContact OD1-O 2.98Å; T596-Q598 CarbonylContact C-O 3.54Å; T596-Q598 WeakPolarHBondContact CA-O 3.45Å; T596-Q598 PolarHBondContact O-N 2.86Å; T596-V600 HydrophobicContact CG2-CB 4.45Å; T596-V600 HydrophobicContact CG2-CG2 4.3Å; T596-I603 WeakPolarHBondContact CG2-O 3.33Å; T596-W605 HydrophobicContact CG2-CB 3.87Å; T596-W605 PolarHBondContact OG1-N 3.19Å; T596-W605 PolarHBondContact OG1-O 2.89Å
597	P	97.5	Very high	97.1	Very high	55 Å²	55	42.4 Å²	42.4	36%	0.357	25%	0.254	S	S	.	.	S	Bend	trans	-64.3	-24	169.8	30.5	-34.3	0	0	0	110.9	N588 T592 N594	N588-P597 HydrophobicContact CB-CG 4.18Å; T592-P597 HydrophobicContact CG2-CB 4.48Å; T592-P597 HydrophobicContact CG2-CG 4.4Å; N594-P597 WeakPolarHBondContact O-CD 3.42Å
598	Q	97.3	Very high	96.7	Very high	142 Å²	142	43.1 Å²	43.1	66%	0.664	26%	0.257	S	S	*	.	S	Bend	trans	-130.2	155.1	161.6	-65.5	-61.1	-34.7	0	0	108	T596 V600	T596-Q598 CarbonylContact C-O 3.54Å; T596-Q598 WeakPolarHBondContact CA-O 3.45Å; T596-Q598 PolarHBondContact O-N 2.86Å; Q598-V600 PolarHBondContact O-N 3.28Å
599	P	97.9	Very high	95.8	Very high	75 Å²	75	50.3 Å²	50.3	49%	0.487	29%	0.29	S	S	.	.			trans	-56.7	132.7	176.1	-22.8	32	0	0	0	111.9	I603 V604	P599-I603 CarbonylContact C-O 3.15Å; P599-I603 VanDerWaalsContact CA-O 3.26Å; P599-I603 WeakPolarHBondContact CA-O 3.35Å; P599-V604 HydrophobicContact CB-CG2 4.17Å; P599-V604 HydrophobicContact CG-CG2 3.89Å
600	V	97.8	Very high	94.8	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.042	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-106.7	118.5	175.8	171.9	0	0	0	0	107.7	A581 R584 F585 T596 Q598 G602 I603	A581-V600 HydrophobicContact CB-CG1 4.18Å; R584-V600 HydrophobicContact CB-CG1 3.89Å; R584-V600 HydrophobicContact CB-CG2 4.13Å; F585-V600 HydrophobicContact CD1-CB 4.14Å; F585-V600 HydrophobicContact CD1-CG1 4.35Å; F585-V600 HydrophobicContact CD1-CG2 4.22Å; F585-V600 HydrophobicContact CE1-CB 3.56Å; F585-V600 HydrophobicContact CE1-CG1 3.9Å; F585-V600 HydrophobicContact CE1-CG2 4.1Å; F585-V600 HydrophobicContact CZ-CB 4.03Å; F585-V600 HydrophobicContact CZ-CG1 3.97Å; T596-V600 HydrophobicContact CG2-CB 4.45Å; T596-V600 HydrophobicContact CG2-CG2 4.3Å; Q598-V600 PolarHBondContact O-N 3.28Å; V600-G602 PolarHBondContact O-N 3.27Å; V600-G602 VanDerWaalsContact O-N 3.15Å; V600-I603 PolarHBondContact N-O 3.09Å; V600-I603 WeakPolarHBondContact O-CB 3.23Å; V600-I603 PolarHBondContact O-N 2.99Å
601	H	95.5	Very high	93.8	Very high	83 Å²	83	57.6 Å²	57.6	38%	0.384	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	36.1	-173.1	-68.7	-81.4	0	0	0	113.1	D580 I603 L622	D580-H601 IonicContact OD2-CD2 3.74Å; D580-H601 IonicContact OD2-CE1 3.07Å; D580-H601 IonicContact OD2-NE2 2.93Å; D580-H601 PolarHBondContact OD2-NE2 3.27Å; H601-I603 VanDerWaalsContact C-N 3.26Å; H601-I603 PolarHBondContact O-N 3.12Å; H601-L622 HydrophobicContact CB-CD1 4.08Å
602	G	95.8	Very high	92.7	Very high	69 Å²	69	55.1 Å²	55.1	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-1.4	-178.4	0	0	0	0	0	115.1	V600	V600-G602 PolarHBondContact O-N 3.27Å; V600-G602 VanDerWaalsContact O-N 3.15Å
603	I	97	Very high	91.8	Very high	29 Å²	29	54.7 Å²	54.7	15%	0.149	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-94.5	133.5	179.5	-59.1	-58.5	0	0	0	111.1	F585 T596 P599 V600 H601 L616 L622 V624	F585-I603 HydrophobicContact CZ-CB 4.48Å; F585-I603 HydrophobicContact CZ-CG2 4.47Å; T596-I603 WeakPolarHBondContact CG2-O 3.33Å; P599-I603 CarbonylContact C-O 3.15Å; P599-I603 VanDerWaalsContact CA-O 3.26Å; P599-I603 WeakPolarHBondContact CA-O 3.35Å; V600-I603 PolarHBondContact N-O 3.09Å; V600-I603 WeakPolarHBondContact O-CB 3.23Å; V600-I603 PolarHBondContact O-N 2.99Å; H601-I603 VanDerWaalsContact C-N 3.26Å; H601-I603 PolarHBondContact O-N 3.12Å; I603-L616 HydrophobicContact CG2-CD1 3.89Å; I603-L622 HydrophobicContact CD1-CB 4.29Å; I603-L622 WeakPolarHBondContact CD1-O 2.89Å; I603-L622 HydrophobicContact CG1-CB 3.67Å; I603-L622 HydrophobicContact CG1-CD1 4.41Å; I603-V624 HydrophobicContact CG2-CG2 3.9Å
604	V	96.5	Very high	91.3	Very high	85 Å²	85	55.3 Å²	55.3	52%	0.515	32%	0.32	S	S	.	.			trans	-107.2	121.8	164.1	179.1	0	0	0	0	106.9	P599 P606 V624	P599-V604 HydrophobicContact CB-CG2 4.17Å; P599-V604 HydrophobicContact CG-CG2 3.89Å; V604-P606 VanDerWaalsContact O-CD 3.28Å; V604-P606 WeakPolarHBondContact O-CD 3.31Å; V604-V624 WeakPolarHBondContact O-CG2 3.47Å
605	W	95	Very high	91.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	31%	0.309	C	S	.	.			trans	-105.7	97	-179.5	-176.7	5.4	0	0	0	108.9	L397 Y509 L510 Y511 W582 F585 P595 T596 L616	L397-W605 HydrophobicContact CD1-CH2 3.93Å; L397-W605 HydrophobicContact CD1-CZ3 3.98Å; L397-W605 HydrophobicContact CD2-CH2 3.86Å; L397-W605 HydrophobicContact CG-CH2 3.73Å; L397-W605 HydrophobicContact CG-CZ2 4.47Å; L397-W605 HydrophobicContact CG-CZ3 4.29Å; Y509-W605 HydrophobicContact CD1-CD2 4.31Å; Y509-W605 HydrophobicContact CD1-CG 4.28Å; Y509-W605 WeakPolarHBondContact CE1-O 3.15Å; L510-W605 VanDerWaalsContact O-CZ2 3.29Å; L510-W605 WeakPolarHBondContact O-CZ2 3.12Å; L510-W605 PolarHBondContact O-NE1 3.18Å; Y511-W605 HydrophobicContact CD1-CH2 4.24Å; Y511-W605 HydrophobicContact CG-CH2 4.46Å; W582-W605 HydrophobicContact CZ3-CH2 4.32Å; W582-W605 HydrophobicContact CZ3-CZ3 4.25Å; F585-W605 HydrophobicContact CB-CE3 4.25Å; F585-W605 HydrophobicContact CB-CZ3 3.99Å; F585-W605 AromaticContact CD1-CE3 3.99Å; F585-W605 HydrophobicContact CD1-CE3 3.99Å; F585-W605 HydrophobicContact CD2-CZ3 4.49Å; F585-W605 HydrophobicContact CE1-CE3 4.47Å; F585-W605 HydrophobicContact CG-CE3 4.02Å; F585-W605 HydrophobicContact CG-CZ3 4.13Å; P595-W605 HydrophobicContact CB-CD2 4.25Å; P595-W605 HydrophobicContact CB-CE3 3.48Å; P595-W605 VanDerWaalsContact CB-CE3 3.48Å; P595-W605 HydrophobicContact CB-CZ3 3.92Å; P595-W605 HydrophobicContact CG-CD2 4.18Å; P595-W605 HydrophobicContact CG-CE3 3.75Å; P595-W605 HydrophobicContact CG-CZ3 4.02Å; T596-W605 HydrophobicContact CG2-CB 3.87Å; T596-W605 PolarHBondContact OG1-N 3.19Å; T596-W605 PolarHBondContact OG1-O 2.89Å; W605-L616 HydrophobicContact CD2-CB 3.71Å; W605-L616 HydrophobicContact CD2-CD2 3.84Å; W605-L616 HydrophobicContact CD2-CG 4.31Å; W605-L616 HydrophobicContact CE3-CB 4.2Å; W605-L616 HydrophobicContact CE3-CD2 3.45Å; W605-L616 VanDerWaalsContact CE3-CD2 3.45Å; W605-L616 HydrophobicContact CE3-CG 4.39Å; W605-L616 HydrophobicContact CG-CB 4.07Å; W605-L616 HydrophobicContact CH2-CB 4.33Å; W605-L616 HydrophobicContact CH2-CD2 4.12Å; W605-L616 HydrophobicContact CZ2-CB 3.86Å; W605-L616 HydrophobicContact CZ2-CD2 4.46Å; W605-L616 HydrophobicContact CZ3-CB 4.48Å; W605-L616 HydrophobicContact CZ3-CD2 3.6Å
606	P	93	Very high	91	Very high	60 Å²	60	53.4 Å²	53.4	39%	0.39	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-72.5	155.6	176.9	31.2	-35.1	0	0	0	111.2	V604	V604-P606 VanDerWaalsContact O-CD 3.28Å; V604-P606 WeakPolarHBondContact O-CD 3.31Å
607	P	93.1	Very high	90.9	Very high	48 Å²	48	53 Å²	53	31%	0.312	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.3	158.3	167.4	30.9	-34.8	0	0	0	110	V508 Y509 E609	V508-P607 CarbonylContact O-C 3.18Å; V508-P607 WeakPolarHBondContact O-CA 3.42Å; Y509-P607 HydrophobicContact CD1-CB 4.42Å; Y509-P607 HydrophobicContact CE1-CB 3.91Å; Y509-P607 HydrophobicContact CE1-CG 4.46Å; Y509-P607 VanDerWaalsContact CE1-N 3.32Å; Y509-P607 HydrophobicContact CE2-CB 4.29Å; P607-E609 PolarHBondContact O-N 3.14Å
608	M	90.1	Very high	90.8	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.079	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.9	125.8	174.5	-69.3	-178	69.8	0	0	111.1	I498 L502 V508 L510	I498-M608 HydrophobicContact CG2-CE 3.92Å; I498-M608 HydrophobicContact CG2-SD 3.83Å; L502-M608 HydrophobicContact CD1-CE 4.4Å; L502-M608 HydrophobicContact CD2-CB 4.21Å; V508-M608 HydrophobicContact CB-CB 4.47Å; V508-M608 HydrophobicContact CB-SD 4.35Å; V508-M608 HydrophobicContact CG1-SD 3.79Å; V508-M608 PolarHBondContact O-N 2.97Å; L510-M608 HydrophobicContact CB-CG 4.04Å; L510-M608 HydrophobicContact CB-SD 3.36Å; L510-M608 WeakPolarHBondContact CB-SD 3.28Å; L510-M608 HydrophobicContact CD2-CE 3.99Å; L510-M608 HydrophobicContact CD2-SD 3.76Å; L510-M608 HydrophobicContact CG-SD 4.21Å
609	E	81.2	Confident	90.7	Very high	180 Å²	180	45.9 Å²	45.9	84%	0.841	27%	0.27	S	S	*	.			trans	-98.4	-23.3	178.2	-63.1	-176.3	173.3	0	0	113.2	P607	P607-E609 PolarHBondContact O-N 3.14Å
610	S	76.5	Confident	90.5	Very high	54 Å²	54	46.8 Å²	46.8	38%	0.378	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-141.5	155.5	179.2	58.3	0	0	0	0	111.5	H612 N613	S610-H612 PolarHBondContact O-N 3.05Å; S610-N613 PolarHBondContact O-N 2.64Å; S610-N613 WeakPolarHBondContact OG-CB 3.43Å; S610-N613 PolarHBondContact OG-ND2 3.39Å
611	H	77.5	Confident	90.4	Very high	99 Å²	99	50.7 Å²	50.7	46%	0.458	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	114.8	-178.5	-67.9	-83.7	0	0	0	111.2	D499 N613	D499-H611 IonicContact OD1-CE1 3.66Å; D499-H611 IonicContact OD1-CG 3.58Å; D499-H611 IonicContact OD1-ND1 2.8Å; D499-H611 PolarHBondContact OD1-ND1 3.1Å; H611-N613 PolarHBondContact O-N 2.93Å; H611-N613 VanDerWaalsContact O-N 3.1Å
612	H	75.6	Confident	90.4	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.046	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	13.8	174.7	-45.4	149.2	0	0	0	117.1	D499 S610 G628 E636	D499-H612 IonicContact OD1-CD2 3.62Å; D499-H612 IonicContact OD1-CE1 3.95Å; D499-H612 IonicContact OD1-NE2 3.94Å; D499-H612 PolarHBondContact OD1-NE2 3.2Å; D499-H612 IonicContact OD2-CE1 3.11Å; D499-H612 IonicContact OD2-NE2 3.82Å; S610-H612 PolarHBondContact O-N 3.05Å; H612-G628 WeakPolarHBondContact O-CA 3.12Å; H612-E636 IonicContact CE1-OE1 3.84Å; H612-E636 IonicContact CG-OE1 3.24Å; H612-E636 IonicContact ND1-OE1 3.2Å; H612-E636 PolarHBondContact ND1-OE1 3.03Å
613	N	80.2	Confident	90.4	Very high	63 Å²	63	48.7 Å²	48.7	34%	0.337	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-101.8	145.3	171.6	-69.5	-38	0	0	0	111.3	S610 H611	S610-N613 PolarHBondContact O-N 2.64Å; S610-N613 WeakPolarHBondContact OG-CB 3.43Å; S610-N613 PolarHBondContact OG-ND2 3.39Å; H611-N613 PolarHBondContact O-N 2.93Å; H611-N613 VanDerWaalsContact O-N 3.1Å
614	G	85.7	Confident	90.2	Very high	23 Å²	23	49.6 Å²	49.6	24%	0.237	27%	0.265	C	S	.	.			trans	74.2	109.9	-177.5	0	0	0	0	0	112.7	T625 E626	G614-T625 CarbonylContact C-O 3.51Å; G614-T625 VanDerWaalsContact CA-O 3.24Å; G614-T625 WeakPolarHBondContact CA-O 3.21Å; G614-E626 PolarHBondContact N-O 2.87Å
615	Y	93.8	Very high	89.9	Confident	14 Å²	14	47 Å²	47	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.8	168.2	69	-81.8	0	0	0	111.3	L510 T617 T625 R631 W632	L510-Y615 CarbonylContact O-C 3.49Å; L510-Y615 VanDerWaalsContact O-CA 3.29Å; L510-Y615 WeakPolarHBondContact O-CA 3.35Å; L510-Y615 WeakPolarHBondContact O-CB 3.27Å; Y615-T617 WeakPolarHBondContact CE2-OG1 3Å; Y615-T617 PolarHBondContact O-N 3.34Å; Y615-T625 HydrophobicContact CD1-CG2 4.18Å; Y615-T625 HydrophobicContact CE1-CG2 3.41Å; Y615-T625 VanDerWaalsContact CE1-CG2 3.41Å; Y615-T625 PolarHBondContact N-O 3.08Å; Y615-T625 PolarHBondContact O-N 2.85Å; Y615-R631 HydrophobicContact CE1-CB 4.21Å; Y615-W632 HydrophobicContact CD1-CZ2 4.03Å; Y615-W632 AromaticContact CD1-NE1 3.69Å; Y615-W632 AromaticContact CD2-CZ2 3.96Å; Y615-W632 HydrophobicContact CD2-CZ2 3.96Å; Y615-W632 HydrophobicContact CE1-CZ2 4.35Å; Y615-W632 HydrophobicContact CE2-CZ2 4.27Å; Y615-W632 AromaticContact CG-CZ2 3.83Å; Y615-W632 HydrophobicContact CG-CZ2 3.83Å
616	L	95.7	Very high	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.5	170.5	-179.3	69.9	0	0	0	109.2	L510 Y511 S512 F585 I603 W605 I618 V624	L510-L616 PolarHBondContact O-N 2.93Å; Y511-L616 CarbonylContact C-O 3.4Å; Y511-L616 WeakPolarHBondContact CA-O 3.44Å; Y511-L616 WeakPolarHBondContact CB-O 3.35Å; S512-L616 PolarHBondContact N-O 3.26Å; F585-L616 HydrophobicContact CD2-CD2 3.79Å; F585-L616 HydrophobicContact CE2-CD2 3.54Å; F585-L616 HydrophobicContact CG-CD2 4.44Å; F585-L616 HydrophobicContact CZ-CD2 3.95Å; I603-L616 HydrophobicContact CG2-CD1 3.89Å; W605-L616 HydrophobicContact CD2-CB 3.71Å; W605-L616 HydrophobicContact CD2-CD2 3.84Å; W605-L616 HydrophobicContact CD2-CG 4.31Å; W605-L616 HydrophobicContact CE3-CB 4.2Å; W605-L616 HydrophobicContact CE3-CD2 3.45Å; W605-L616 VanDerWaalsContact CE3-CD2 3.45Å; W605-L616 HydrophobicContact CE3-CG 4.39Å; W605-L616 HydrophobicContact CG-CB 4.07Å; W605-L616 HydrophobicContact CH2-CB 4.33Å; W605-L616 HydrophobicContact CH2-CD2 4.12Å; W605-L616 HydrophobicContact CZ2-CB 3.86Å; W605-L616 HydrophobicContact CZ2-CD2 4.46Å; W605-L616 HydrophobicContact CZ3-CB 4.48Å; W605-L616 HydrophobicContact CZ3-CD2 3.6Å; L616-I618 HydrophobicContact CD2-CD1 4.4Å; L616-I618 HydrophobicContact CD2-CG1 3.82Å; L616-I618 HydrophobicContact CG-CG1 4.05Å; L616-V624 HydrophobicContact CD1-CG2 4.33Å
617	T	95.8	Very high	88.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.8	166.2	-51.6	0	0	0	0	109.3	E514 Y615 D619 R623 T625	E514-T617 HydrophobicContact CB-CG2 4.07Å; E514-T617 HydrophobicContact CG-CG2 3.82Å; E514-T617 VanDerWaalsContact OE2-CG2 3.24Å; E514-T617 WeakPolarHBondContact OE2-CG2 3.44Å; Y615-T617 WeakPolarHBondContact CE2-OG1 3Å; Y615-T617 PolarHBondContact O-N 3.34Å; T617-D619 HydrophobicContact CG2-CB 4.47Å; T617-D619 PolarHBondContact O-N 2.74Å; T617-R623 HydrophobicContact CG2-CG 4.38Å; T617-R623 PolarHBondContact N-O 2.87Å; T617-R623 PolarHBondContact O-N 2.98Å; T617-T625 PolarHBondContact OG1-OG1 3.07Å
618	I	96.7	Very high	87.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	96	178.1	-54.7	171.1	0	0	0	107.7	Y511 S512 F513 E514 H515 V578 W582 L616 L622	Y511-I618 HydrophobicContact CD2-CD1 3.5Å; Y511-I618 VanDerWaalsContact CD2-CD1 3.5Å; Y511-I618 HydrophobicContact CD2-CG1 4.42Å; Y511-I618 HydrophobicContact CE2-CD1 4.21Å; Y511-I618 HydrophobicContact CG-CD1 3.85Å; S512-I618 PolarHBondContact O-N 3.21Å; F513-I618 HydrophobicContact CD2-CB 3.93Å; F513-I618 HydrophobicContact CD2-CD1 3.9Å; F513-I618 HydrophobicContact CD2-CG2 3.69Å; F513-I618 HydrophobicContact CE2-CB 4.42Å; F513-I618 HydrophobicContact CE2-CG2 3.67Å; F513-I618 HydrophobicContact CG-CB 4.43Å; F513-I618 HydrophobicContact CG-CG2 4.48Å; F513-I618 HydrophobicContact CZ-CG2 4.44Å; E514-I618 CarbonylContact C-O 3.55Å; E514-I618 PolarHBondContact N-O 2.82Å; H515-I618 PolarHBondContact N-O 3.34Å; V578-I618 HydrophobicContact CG1-CG2 3.71Å; W582-I618 HydrophobicContact CD2-CD1 3.91Å; W582-I618 HydrophobicContact CE3-CD1 3.35Å; W582-I618 HydrophobicContact CE3-CG1 4.48Å; W582-I618 HydrophobicContact CH2-CD1 3.94Å; W582-I618 HydrophobicContact CZ2-CD1 4.4Å; W582-I618 HydrophobicContact CZ3-CD1 3.38Å; L616-I618 HydrophobicContact CD2-CD1 4.4Å; L616-I618 HydrophobicContact CD2-CG1 3.82Å; L616-I618 HydrophobicContact CG-CG1 4.05Å; I618-L622 HydrophobicContact CG2-CD2 4.27Å
619	D	95.1	Very high	86.7	Confident	45 Å²	45	54.7 Å²	54.7	24%	0.241	29%	0.292	C	S	.	.	S	Bend	trans	-152.5	174.1	172.3	-171.4	17.9	0	0	0	107.5	E514 H515 T617 P621 L622 R623	E514-D619 HydrophobicContact CB-CB 4.43Å; H515-D619 IonicContact CE1-OD1 2.69Å; H515-D619 IonicContact CG-OD1 3.99Å; H515-D619 IonicContact ND1-OD1 3.06Å; H515-D619 PolarHBondContact ND1-OD1 3.25Å; T617-D619 HydrophobicContact CG2-CB 4.47Å; T617-D619 PolarHBondContact O-N 2.74Å; D619-P621 CarbonylContact O-C 3.56Å; D619-L622 VanDerWaalsContact O-CA 3.27Å; D619-L622 WeakPolarHBondContact O-CA 3.17Å; D619-L622 PolarHBondContact O-N 2.7Å; D619-R623 IonicContact OD2-NH1 4Å
620	W	93.4	Very high	86.4	Confident	94 Å²	94	57 Å²	57	36%	0.356	29%	0.293	S	S	.	.	S	Bend	trans	-108.2	117.3	174.5	-169.2	-101.5	0	0	0	111.8	A574 K577 V578	A574-W620 HydrophobicContact CB-CB 4.31Å; A574-W620 HydrophobicContact CB-CG 4.19Å; K577-W620 HydrophobicContact CB-CD2 4.36Å; K577-W620 HydrophobicContact CB-CE3 3.9Å; K577-W620 HydrophobicContact CB-CH2 4.14Å; K577-W620 HydrophobicContact CB-CZ3 3.78Å; K577-W620 HydrophobicContact CD-CD2 4.38Å; K577-W620 HydrophobicContact CD-CH2 3.7Å; K577-W620 HydrophobicContact CD-CZ2 3.53Å; K577-W620 HydrophobicContact CD-CZ3 4.19Å; K577-W620 HydrophobicContact CG-CH2 4.37Å; K577-W620 HydrophobicContact CG-CZ3 4.49Å; V578-W620 HydrophobicContact CG2-CB 3.94Å; V578-W620 HydrophobicContact CG2-CE3 4.44Å
621	P	94.6	Very high	86.7	Confident	90 Å²	90	56.1 Å²	56.1	58%	0.584	28%	0.281	S	S	*	.	S	Bend	cis	-75.3	151.9	-0.1	32.4	-35.8	0	0	0	113.2	D619	D619-P621 CarbonylContact O-C 3.56Å
622	L	96.1	Very high	87.3	Confident	14 Å²	14	51.4 Å²	51.4	7%	0.073	26%	0.259	C	S	.	.			trans	-63.5	146	174.8	-63.1	161.8	0	0	0	110	A581 F585 H601 I603 I618 D619	A581-L622 HydrophobicContact CB-CD1 3.46Å; A581-L622 VanDerWaalsContact CB-CD1 3.46Å; F585-L622 HydrophobicContact CE2-CD1 4.2Å; F585-L622 HydrophobicContact CE2-CD2 4.41Å; F585-L622 HydrophobicContact CZ-CD1 4.25Å; H601-L622 HydrophobicContact CB-CD1 4.08Å; I603-L622 HydrophobicContact CD1-CB 4.29Å; I603-L622 WeakPolarHBondContact CD1-O 2.89Å; I603-L622 HydrophobicContact CG1-CB 3.67Å; I603-L622 HydrophobicContact CG1-CD1 4.41Å; I618-L622 HydrophobicContact CG2-CD2 4.27Å; D619-L622 VanDerWaalsContact O-CA 3.27Å; D619-L622 WeakPolarHBondContact O-CA 3.17Å; D619-L622 PolarHBondContact O-N 2.7Å
623	R	95.1	Very high	87.7	Confident	96 Å²	96	59.2 Å²	59.2	36%	0.362	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	143.4	178.1	61.9	-174	-178.4	-92.4	3.5	111.7	E514 T617 D619	E514-R623 IonicContact OE2-NH2 3.19Å; E514-R623 PolarHBondContact OE2-NH2 3.36Å; T617-R623 HydrophobicContact CG2-CG 4.38Å; T617-R623 PolarHBondContact N-O 2.87Å; T617-R623 PolarHBondContact O-N 2.98Å; D619-R623 IonicContact OD2-NH1 4Å
624	V	92.8	Very high	88.1	Confident	47 Å²	47	59.7 Å²	59.7	29%	0.285	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.1	164.3	178.9	0	0	0	0	107.6	I603 V604 L616	I603-V624 HydrophobicContact CG2-CG2 3.9Å; V604-V624 WeakPolarHBondContact O-CG2 3.47Å; L616-V624 HydrophobicContact CD1-CG2 4.33Å
625	T	90.8	Very high	88.2	Confident	30 Å²	30	58.6 Å²	58.6	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.8	177.2	-64.3	0	0	0	0	108.7	G614 Y615 T617	G614-T625 CarbonylContact C-O 3.51Å; G614-T625 VanDerWaalsContact CA-O 3.24Å; G614-T625 WeakPolarHBondContact CA-O 3.21Å; Y615-T625 HydrophobicContact CD1-CG2 4.18Å; Y615-T625 HydrophobicContact CE1-CG2 3.41Å; Y615-T625 VanDerWaalsContact CE1-CG2 3.41Å; Y615-T625 PolarHBondContact N-O 3.08Å; Y615-T625 PolarHBondContact O-N 2.85Å; T617-T625 PolarHBondContact OG1-OG1 3.07Å
626	E	83.2	Confident	87.9	Confident	172 Å²	172	60.3 Å²	60.3	80%	0.804	29%	0.285	S	S	*	.	S	Bend	trans	-66	-40.1	-174.6	-64.5	179.4	177	0	0	113	G614	G614-E626 PolarHBondContact N-O 2.87Å
627	S	79	Confident	87.7	Confident	70 Å²	70	60.8 Å²	60.8	49%	0.49	29%	0.288	S	S	.	.			trans	-107.4	106.2	178.3	-174.2	0	0	0	0	111.3	A629	S627-A629 VanDerWaalsContact C-N 3.32Å
628	G	71.9	Confident	87.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.288	C	S	.	.			trans	-78.1	-17.2	172.9	0	0	0	0	0	113.8	H612 R630 R631 W632	H612-G628 WeakPolarHBondContact O-CA 3.12Å; G628-R630 PolarHBondContact O-N 3.13Å; G628-R631 PolarHBondContact O-N 2.93Å; G628-W632 VanDerWaalsContact C-CD1 3.45Å; G628-W632 VanDerWaalsContact CA-CD1 3.48Å; G628-W632 PolarHBondContact O-N 2.85Å
629	A	70	Confident	87.3	Confident	47 Å²	47	62.2 Å²	62.2	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-48.6	-39.9	-173.5	0	0	0	0	0	113.2	S627 R633	S627-A629 VanDerWaalsContact C-N 3.32Å; A629-R633 WeakPolarHBondContact O-CB 3.24Å; A629-R633 PolarHBondContact O-N 2.75Å
630	R	74.7	Confident	87.1	Confident	228 Å²	228	64.4 Å²	64.4	86%	0.86	31%	0.307	S	S	*	.	H	α-helix	trans	-70.1	-38.2	178.1	-171.9	178.1	-180	-174.5	0.8	113.4	G628	G628-R630 PolarHBondContact O-N 3.13Å
631	R	83.3	Confident	86.9	Confident	35 Å²	35	64.1 Å²	64.1	13%	0.132	31%	0.312	C	S	.	.	H	α-helix	trans	-74.7	-39.3	-177.8	173.1	61.3	-176.2	90.6	-2.7	111.6	A401 D402 S512 Y615 G628	A401-R631 PolarHBondContact O-NH2 2.83Å; D402-R631 PolarHBondContact O-NH2 3.04Å; S512-R631 PolarHBondContact OG-NE 3.08Å; Y615-R631 HydrophobicContact CE1-CB 4.21Å; G628-R631 PolarHBondContact O-N 2.93Å
632	W	89.4	Confident	86.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-94.4	-17.5	-171.8	-51.1	131	0	0	0	113.8	V400 T491 M494 L495 L510 Y615 G628 H634 A635 E636	V400-W632 HydrophobicContact CG2-CH2 4.29Å; V400-W632 HydrophobicContact CG2-CZ3 4.02Å; T491-W632 HydrophobicContact CG2-CE3 3.51Å; T491-W632 HydrophobicContact CG2-CZ3 3.68Å; M494-W632 HydrophobicContact CE-CE3 4.23Å; M494-W632 HydrophobicContact CE-CH2 4.03Å; M494-W632 HydrophobicContact CE-CZ3 3.81Å; L495-W632 HydrophobicContact CD1-CB 3.92Å; L495-W632 HydrophobicContact CD2-CB 4.23Å; L495-W632 HydrophobicContact CD2-CD2 4.12Å; L495-W632 HydrophobicContact CD2-CE3 4.37Å; L495-W632 HydrophobicContact CD2-CG 4.04Å; L510-W632 HydrophobicContact CD1-CH2 4.41Å; L510-W632 HydrophobicContact CD1-CZ2 4.2Å; L510-W632 HydrophobicContact CD2-CZ2 3.77Å; L510-W632 HydrophobicContact CG-CZ2 4.04Å; Y615-W632 HydrophobicContact CD1-CZ2 4.03Å; Y615-W632 AromaticContact CD1-NE1 3.69Å; Y615-W632 AromaticContact CD2-CZ2 3.96Å; Y615-W632 HydrophobicContact CD2-CZ2 3.96Å; Y615-W632 HydrophobicContact CE1-CZ2 4.35Å; Y615-W632 HydrophobicContact CE2-CZ2 4.27Å; Y615-W632 AromaticContact CG-CZ2 3.83Å; Y615-W632 HydrophobicContact CG-CZ2 3.83Å; G628-W632 VanDerWaalsContact C-CD1 3.45Å; G628-W632 VanDerWaalsContact CA-CD1 3.48Å; G628-W632 PolarHBondContact O-N 2.85Å; W632-H634 PolarHBondContact O-N 3.26Å; W632-H634 VanDerWaalsContact O-N 3.09Å; W632-A635 WeakPolarHBondContact O-CA 3.33Å; W632-A635 PolarHBondContact O-N 3.03Å; W632-E636 PolarHBondContact O-N 2.88Å
633	R	85.4	Confident	86.3	Confident	175 Å²	175	61.3 Å²	61.3	66%	0.66	30%	0.295	S	S	*	.	H	α-helix	trans	-51.3	-37.1	-179.3	172.1	175.8	-176	171	1.9	114.3	A629 A635 F637	A629-R633 WeakPolarHBondContact O-CB 3.24Å; A629-R633 PolarHBondContact O-N 2.75Å; R633-A635 VanDerWaalsContact C-N 3.32Å; R633-F637 PolarHBondContact O-N 3.06Å
634	H	86.7	Confident	85.9	Confident	72 Å²	72	60.6 Å²	60.6	33%	0.333	30%	0.301	S	S	.	.	H	α-helix	trans	-70.2	-29.4	178.3	-71.2	-61.7	0	0	0	113.1	H461 Y462 D487 W632 F637	H461-H634 AromaticContact CD2-ND1 3.41Å; H461-H634 PolarHBondContact CD2-ND1 2.84Å; H461-H634 AromaticContact CE1-ND1 3.57Å; H461-H634 WeakPolarHBondContact NE2-CA 2.94Å; H461-H634 AromaticContact NE2-CE1 3.87Å; H461-H634 AromaticContact NE2-CG 3.71Å; H461-H634 AromaticContact NE2-ND1 2.87Å; H461-H634 PolarHBondContact NE2-ND1 2.65Å; Y462-H634 HydrophobicContact CE1-CB 4.1Å; Y462-H634 PolarHBondContact OH-O 2.87Å; Y462-H634 VanDerWaalsContact OH-O 3.1Å; D487-H634 WeakPolarHBondContact OD2-CB 3.43Å; W632-H634 PolarHBondContact O-N 3.26Å; W632-H634 VanDerWaalsContact O-N 3.09Å; H634-F637 VanDerWaalsContact O-CB 3.28Å; H634-F637 WeakPolarHBondContact O-CB 3.32Å
635	A	88.9	Confident	85.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-84.1	-36.8	175.1	0	0	0	0	0	112.1	D487 T491 A492 L495 W632 R633 F637 W638	D487-A635 HydrophobicContact CB-CB 4.2Å; T491-A635 HydrophobicContact CG2-CB 3.32Å; A492-A635 HydrophobicContact CB-CB 4.24Å; L495-A635 HydrophobicContact CD1-CB 3.66Å; W632-A635 WeakPolarHBondContact O-CA 3.33Å; W632-A635 PolarHBondContact O-N 3.03Å; R633-A635 VanDerWaalsContact C-N 3.32Å; A635-F637 PolarHBondContact O-N 3.19Å; A635-F637 VanDerWaalsContact O-N 3.17Å; A635-W638 WeakPolarHBondContact O-CB 3.49Å; A635-W638 PolarHBondContact O-N 2.67Å
636	E	88.1	Confident	85.3	Confident	50 Å²	50	59.1 Å²	59.1	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-29	173.1	-71.9	-179.1	163.5	0	0	112.7	L495 H612 W632 W638 N639 N640	L495-E636 HydrophobicContact CD1-CG 4.22Å; H612-E636 IonicContact CE1-OE1 3.84Å; H612-E636 IonicContact CG-OE1 3.24Å; H612-E636 IonicContact ND1-OE1 3.2Å; H612-E636 PolarHBondContact ND1-OE1 3.03Å; W632-E636 PolarHBondContact O-N 2.88Å; E636-W638 PolarHBondContact O-N 2.89Å; E636-N639 PolarHBondContact O-N 3.28Å; E636-N639 VanDerWaalsContact O-N 3.16Å; E636-N640 WeakPolarHBondContact O-CB 3.45Å; E636-N640 PolarHBondContact O-N 3.24Å
637	F	90.3	Very high	85.2	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.048	28%	0.275	C	S	.	.	I	π-helix	trans	-48.4	-43.6	169.8	168	-94.6	0	0	0	112.5	V457 A458 H461 R633 H634 A635 L641 I642	V457-F637 HydrophobicContact CG1-CE2 3.72Å; V457-F637 HydrophobicContact CG1-CZ 3.82Å; A458-F637 HydrophobicContact CB-CE1 4.14Å; A458-F637 HydrophobicContact CB-CZ 4.22Å; H461-F637 HydrophobicContact CB-CD2 4.35Å; H461-F637 HydrophobicContact CB-CE2 3.99Å; H461-F637 HydrophobicContact CB-CZ 4.21Å; H461-F637 AromaticContact CD2-CD2 3.93Å; H461-F637 AromaticContact CD2-CG 3.82Å; H461-F637 AromaticContact CE1-CD2 3.95Å; H461-F637 AromaticContact CG-CD2 3.78Å; H461-F637 AromaticContact CG-CE2 3.93Å; H461-F637 AromaticContact ND1-CD2 3.8Å; H461-F637 AromaticContact NE2-CG 3.89Å; R633-F637 PolarHBondContact O-N 3.06Å; H634-F637 VanDerWaalsContact O-CB 3.28Å; H634-F637 WeakPolarHBondContact O-CB 3.32Å; A635-F637 PolarHBondContact O-N 3.19Å; A635-F637 VanDerWaalsContact O-N 3.17Å; F637-L641 HydrophobicContact CD2-CB 4.29Å; F637-L641 HydrophobicContact CD2-CD2 3.67Å; F637-L641 HydrophobicContact CD2-CG 4.48Å; F637-L641 HydrophobicContact CE2-CD2 3.68Å; F637-L641 WeakPolarHBondContact O-CB 3.44Å; F637-L641 PolarHBondContact O-N 3.46Å; F637-L641 VanDerWaalsContact O-N 3.11Å; F637-I642 HydrophobicContact CD1-CG1 4.09Å; F637-I642 HydrophobicContact CE1-CD1 3.7Å; F637-I642 HydrophobicContact CE1-CG1 3.65Å; F637-I642 HydrophobicContact CE2-CD1 4.07Å; F637-I642 HydrophobicContact CZ-CD1 3.44Å; F637-I642 VanDerWaalsContact CZ-CD1 3.44Å; F637-I642 HydrophobicContact CZ-CG1 3.92Å; F637-I642 PolarHBondContact O-N 3.32Å; F637-I642 VanDerWaalsContact O-N 3.1Å
638	W	93.1	Very high	85.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-76.6	-28.9	-178.3	-64.7	105.6	0	0	0	113.4	V434 F438 I454 A458 Y462 M484 I488 A492 A635 E636 I642 P643	V434-W638 HydrophobicContact CG2-CH2 3.86Å; V434-W638 HydrophobicContact CG2-CZ3 4.31Å; F438-W638 HydrophobicContact CB-CE3 4.42Å; F438-W638 HydrophobicContact CB-CZ3 4.14Å; F438-W638 HydrophobicContact CD2-CD2 4.41Å; F438-W638 AromaticContact CD2-CE3 3.41Å; F438-W638 HydrophobicContact CD2-CE3 3.41Å; F438-W638 VanDerWaalsContact CD2-CE3 3.41Å; F438-W638 AromaticContact CD2-CZ3 3.84Å; F438-W638 HydrophobicContact CD2-CZ3 3.84Å; F438-W638 AromaticContact CE2-CE3 3.85Å; F438-W638 HydrophobicContact CE2-CE3 3.85Å; F438-W638 HydrophobicContact CE2-CZ3 4.45Å; F438-W638 AromaticContact CG-CE3 3.99Å; F438-W638 HydrophobicContact CG-CE3 3.99Å; F438-W638 AromaticContact CG-CZ3 3.92Å; F438-W638 HydrophobicContact CG-CZ3 3.92Å; I454-W638 HydrophobicContact CG2-CH2 4.23Å; I454-W638 HydrophobicContact CG2-CZ3 3.78Å; A458-W638 HydrophobicContact CB-CH2 3.64Å; A458-W638 HydrophobicContact CB-CZ2 3.79Å; Y462-W638 HydrophobicContact CE2-CZ2 4.22Å; Y462-W638 AromaticContact CE2-NE1 3.81Å; Y462-W638 AromaticContact CZ-NE1 3.94Å; Y462-W638 PolarHBondContact OH-NE1 3.01Å; Y462-W638 VanDerWaalsContact OH-NE1 3.14Å; M484-W638 HydrophobicContact CG-CZ2 3.77Å; M484-W638 HydrophobicContact SD-CZ2 4.38Å; I488-W638 HydrophobicContact CD1-CD2 4.39Å; I488-W638 HydrophobicContact CD1-CH2 3.67Å; I488-W638 HydrophobicContact CD1-CZ2 3.47Å; I488-W638 VanDerWaalsContact CD1-CZ2 3.47Å; I488-W638 HydrophobicContact CD1-CZ3 4.2Å; I488-W638 HydrophobicContact CG1-CD2 3.6Å; I488-W638 HydrophobicContact CG1-CE3 4.04Å; I488-W638 HydrophobicContact CG1-CG 4.12Å; I488-W638 HydrophobicContact CG1-CH2 3.97Å; I488-W638 HydrophobicContact CG1-CZ2 3.51Å; I488-W638 HydrophobicContact CG1-CZ3 4.21Å; A492-W638 HydrophobicContact CB-CB 3.88Å; A635-W638 WeakPolarHBondContact O-CB 3.49Å; A635-W638 PolarHBondContact O-N 2.67Å; E636-W638 PolarHBondContact O-N 2.89Å; W638-I642 HydrophobicContact CD2-CG1 4.48Å; W638-I642 HydrophobicContact CE3-CB 4.45Å; W638-I642 HydrophobicContact CE3-CG1 3.78Å; W638-I642 HydrophobicContact CZ3-CG1 4.06Å; W638-P643 VanDerWaalsContact O-CD 3.3Å; W638-P643 WeakPolarHBondContact O-CD 3.42Å
639	N	91.7	Very high	85.6	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.16	30%	0.3	C	S	.	.	I	π-helix	trans	-85.4	-32.4	179.6	-70	-9.6	0	0	0	113	Y441 A492 E636 P643	Y441-N639 PolarHBondContact OH-OD1 3.34Å; A492-N639 PolarHBondContact O-ND2 3.17Å; E636-N639 PolarHBondContact O-N 3.28Å; E636-N639 VanDerWaalsContact O-N 3.16Å; N639-P643 WeakPolarHBondContact O-CG 3.24Å
640	N	90.1	Very high	85.6	Confident	92 Å²	92	60.4 Å²	60.4	49%	0.492	30%	0.296	S	S	.	.	I	π-helix	trans	-110.9	-55.7	-169.8	-61.9	-27.4	0	0	0	112.4	E636 T644	E636-N640 WeakPolarHBondContact O-CB 3.45Å; E636-N640 PolarHBondContact O-N 3.24Å; N640-T644 WeakPolarHBondContact O-CB 3.4Å; N640-T644 PolarHBondContact O-N 2.98Å; N640-T644 PolarHBondContact O-OG1 3.23Å
641	L	89.9	Confident	84.6	Confident	88 Å²	88	51 Å²	51	46%	0.461	27%	0.269	S	S	.	.	I	π-helix	trans	-75.4	-47.4	-171.9	-178.6	62.3	0	0	0	111.9	F637 T644 L645	F637-L641 HydrophobicContact CD2-CB 4.29Å; F637-L641 HydrophobicContact CD2-CD2 3.67Å; F637-L641 HydrophobicContact CD2-CG 4.48Å; F637-L641 HydrophobicContact CE2-CD2 3.68Å; F637-L641 WeakPolarHBondContact O-CB 3.44Å; F637-L641 PolarHBondContact O-N 3.46Å; F637-L641 VanDerWaalsContact O-N 3.11Å; L641-T644 WeakPolarHBondContact O-CB 3.3Å; L641-T644 PolarHBondContact O-N 3.43Å; L641-L645 WeakPolarHBondContact O-CB 3.38Å; L641-L645 PolarHBondContact O-N 3.16Å
642	I	89.5	Confident	82.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-47.2	-176.1	-62.9	-53.7	0	0	0	112.5	F438 I454 F637 W638 T644 L645 V646	F438-I642 HydrophobicContact CE1-CG2 3.76Å; F438-I642 HydrophobicContact CE2-CB 4.44Å; F438-I642 HydrophobicContact CE2-CG2 3.88Å; F438-I642 HydrophobicContact CZ-CB 4.26Å; F438-I642 HydrophobicContact CZ-CG2 3.31Å; I454-I642 HydrophobicContact CD1-CG2 3.87Å; I454-I642 HydrophobicContact CG1-CD1 4.46Å; I454-I642 HydrophobicContact CG1-CG2 4.1Å; I454-I642 HydrophobicContact CG2-CD1 3.94Å; I454-I642 HydrophobicContact CG2-CG1 4.41Å; I454-I642 HydrophobicContact CG2-CG2 4.14Å; F637-I642 HydrophobicContact CD1-CG1 4.09Å; F637-I642 HydrophobicContact CE1-CD1 3.7Å; F637-I642 HydrophobicContact CE1-CG1 3.65Å; F637-I642 HydrophobicContact CE2-CD1 4.07Å; F637-I642 HydrophobicContact CZ-CD1 3.44Å; F637-I642 VanDerWaalsContact CZ-CD1 3.44Å; F637-I642 HydrophobicContact CZ-CG1 3.92Å; F637-I642 PolarHBondContact O-N 3.32Å; F637-I642 VanDerWaalsContact O-N 3.1Å; W638-I642 HydrophobicContact CD2-CG1 4.48Å; W638-I642 HydrophobicContact CE3-CB 4.45Å; W638-I642 HydrophobicContact CE3-CG1 3.78Å; W638-I642 HydrophobicContact CZ3-CG1 4.06Å; I642-T644 VanDerWaalsContact C-N 3.27Å; I642-T644 PolarHBondContact O-N 2.84Å; I642-L645 HydrophobicContact CD1-CD2 4.47Å; I642-L645 WeakPolarHBondContact O-CB 3.17Å; I642-L645 PolarHBondContact O-N 3.38Å; I642-V646 HydrophobicContact CG2-CG2 4.39Å; I642-V646 WeakPolarHBondContact O-CG2 3.45Å; I642-V646 PolarHBondContact O-N 3.32Å
643	P	87.6	Confident	80.8	Confident	45 Å²	45	58.7 Å²	58.7	29%	0.292	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-37.8	175.4	-28	39.1	0	0	0	112.7	F442 W638 N639 V646 S647	F442-P643 HydrophobicContact CE2-CB 4.47Å; W638-P643 VanDerWaalsContact O-CD 3.3Å; W638-P643 WeakPolarHBondContact O-CD 3.42Å; N639-P643 WeakPolarHBondContact O-CG 3.24Å; P643-V646 PolarHBondContact O-N 3.04Å; P643-S647 PolarHBondContact O-N 2.86Å
644	T	87.7	Confident	78.7	Confident	80 Å²	80	59 Å²	59	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-48.3	174.5	-57.5	0	0	0	0	111	N640 L641 I642 V646 S647 V648	N640-T644 WeakPolarHBondContact O-CB 3.4Å; N640-T644 PolarHBondContact O-N 2.98Å; N640-T644 PolarHBondContact O-OG1 3.23Å; L641-T644 WeakPolarHBondContact O-CB 3.3Å; L641-T644 PolarHBondContact O-N 3.43Å; I642-T644 VanDerWaalsContact C-N 3.27Å; I642-T644 PolarHBondContact O-N 2.84Å; T644-V646 VanDerWaalsContact C-N 3.33Å; T644-V646 PolarHBondContact O-N 3.42Å; T644-S647 PolarHBondContact O-N 3.26Å; T644-S647 VanDerWaalsContact O-N 3.14Å; T644-S647 PolarHBondContact O-OG 3.28Å; T644-V648 WeakPolarHBondContact O-CG2 3.46Å; T644-V648 PolarHBondContact O-N 2.97Å; T644-V648 VanDerWaalsContact O-N 3.07Å
645	L	85.4	Confident	76.8	Confident	43 Å²	43	57.8 Å²	57.8	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-45.2	177	179.5	64.8	0	0	0	111.5	M453 I454 V457 L641 I642 S647 V648 V649	M453-L645 HydrophobicContact CG-CD2 4.5Å; M453-L645 HydrophobicContact SD-CD1 4.23Å; M453-L645 HydrophobicContact SD-CD2 4.4Å; I454-L645 HydrophobicContact CG1-CD2 4.48Å; V457-L645 HydrophobicContact CG2-CD2 4.3Å; L641-L645 WeakPolarHBondContact O-CB 3.38Å; L641-L645 PolarHBondContact O-N 3.16Å; I642-L645 HydrophobicContact CD1-CD2 4.47Å; I642-L645 WeakPolarHBondContact O-CB 3.17Å; I642-L645 PolarHBondContact O-N 3.38Å; L645-S647 VanDerWaalsContact C-N 3.32Å; L645-S647 PolarHBondContact O-N 3.37Å; L645-V648 PolarHBondContact O-N 3.09Å; L645-V649 HydrophobicContact CD1-CG2 4.28Å; L645-V649 HydrophobicContact CG-CG2 4.46Å; L645-V649 VanDerWaalsContact O-CG2 3.31Å; L645-V649 WeakPolarHBondContact O-CG2 3.22Å; L645-V649 PolarHBondContact O-N 3.49Å
646	V	85	Confident	74.6	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.024	37%	0.367	C	S	.	.	H	α-helix	trans	-58.8	-44.3	176.4	168.9	0	0	0	0	111.1	F442 L446 T450 I454 I642 P643 T644 V648 V649 R650	F442-V646 HydrophobicContact CE1-CG1 4.11Å; F442-V646 HydrophobicContact CZ-CB 4.33Å; F442-V646 HydrophobicContact CZ-CG1 3.76Å; F442-V646 HydrophobicContact CZ-CG2 4.49Å; L446-V646 HydrophobicContact CD1-CG2 3.93Å; L446-V646 HydrophobicContact CD2-CG1 3.55Å; L446-V646 HydrophobicContact CD2-CG2 4.12Å; T450-V646 HydrophobicContact CG2-CG2 4.25Å; I454-V646 HydrophobicContact CD1-CG2 3.91Å; I642-V646 HydrophobicContact CG2-CG2 4.39Å; I642-V646 WeakPolarHBondContact O-CG2 3.45Å; I642-V646 PolarHBondContact O-N 3.32Å; P643-V646 PolarHBondContact O-N 3.04Å; T644-V646 VanDerWaalsContact C-N 3.33Å; T644-V646 PolarHBondContact O-N 3.42Å; V646-V648 VanDerWaalsContact C-N 3.29Å; V646-V648 PolarHBondContact O-N 3.28Å; V646-V649 PolarHBondContact O-N 2.85Å; V646-R650 HydrophobicContact CG1-CG 4.49Å; V646-R650 WeakPolarHBondContact O-CG 3.37Å; V646-R650 PolarHBondContact O-N 3.42Å
647	S	82.5	Confident	72.5	Confident	70 Å²	70	74 Å²	74	49%	0.49	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-33.9	179.2	76.8	0	0	0	0	113	P643 T644 L645	P643-S647 PolarHBondContact O-N 2.86Å; T644-S647 PolarHBondContact O-N 3.26Å; T644-S647 VanDerWaalsContact O-N 3.14Å; T644-S647 PolarHBondContact O-OG 3.28Å; L645-S647 VanDerWaalsContact C-N 3.32Å; L645-S647 PolarHBondContact O-N 3.37Å
648	V	81.5	Confident	70.4	Confident	106 Å²	106	81.8 Å²	81.8	64%	0.642	43%	0.429	S	S	*	.	H	α-helix	trans	-72.6	-43.6	176.4	173.8	0	0	0	0	110.9	T644 L645 V646 R650 G651	T644-V648 WeakPolarHBondContact O-CG2 3.46Å; T644-V648 PolarHBondContact O-N 2.97Å; T644-V648 VanDerWaalsContact O-N 3.07Å; L645-V648 PolarHBondContact O-N 3.09Å; V646-V648 VanDerWaalsContact C-N 3.29Å; V646-V648 PolarHBondContact O-N 3.28Å; V648-R650 PolarHBondContact O-N 3.01Å; V648-G651 PolarHBondContact O-N 2.89Å
649	V	76.2	Confident	68.2	Low	60 Å²	60	87.1 Å²	87.1	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-67.8	-34.8	-177.6	172.5	0	0	0	0	112.3	T450 M453 L645 V646 G651	T450-V649 HydrophobicContact CG2-CG1 4.42Å; M453-V649 HydrophobicContact CE-CG2 4.43Å; M453-V649 HydrophobicContact SD-CG2 3.83Å; L645-V649 HydrophobicContact CD1-CG2 4.28Å; L645-V649 HydrophobicContact CG-CG2 4.46Å; L645-V649 VanDerWaalsContact O-CG2 3.31Å; L645-V649 WeakPolarHBondContact O-CG2 3.22Å; L645-V649 PolarHBondContact O-N 3.49Å; V646-V649 PolarHBondContact O-N 2.85Å; V649-G651 PolarHBondContact O-N 3.32Å
650	R	69.7	Low	66.5	Low	79 Å²	79	88.6 Å²	88.6	30%	0.298	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.5	177.2	-76.1	-176	172.8	-168.5	-1.9	113.7	T445 V646 V648 D653	T445-R650 PolarHBondContact O-NH2 2.88Å; V646-R650 HydrophobicContact CG1-CG 4.49Å; V646-R650 WeakPolarHBondContact O-CG 3.37Å; V646-R650 PolarHBondContact O-N 3.42Å; V648-R650 PolarHBondContact O-N 3.01Å; R650-D653 IonicContact NH1-OD2 2.9Å; R650-D653 PolarHBondContact NH1-OD2 3.5Å
651	G	53.9	Low	65.7	Low	30 Å²	30	88 Å²	88	31%	0.309	47%	0.466	S	S	.	.			trans	65.7	178	-161.2	0	0	0	0	0	111	V648 V649 D653	V648-G651 PolarHBondContact O-N 2.89Å; V649-G651 PolarHBondContact O-N 3.32Å; G651-D653 PolarHBondContact O-N 3.45Å
652	P	48	Very low	64.7	Low	135 Å²	135	88.1 Å²	88.1	88%	0.877	47%	0.47	S	S	*	.	S	Bend	trans	-56.6	113	176.2	22	-30.4	0	0	0	109.9	E654	P652-E654 PolarHBondContact O-N 3.21Å; P652-E654 VanDerWaalsContact O-N 3.16Å
653	D	45.5	Very low	63.9	Low	63 Å²	63	93.4 Å²	93.4	34%	0.337	50%	0.498	S	S	.	.			trans	-68.8	105.7	-170.3	-155.8	-22.2	0	0	0	110.6	R650 G651 S655 K656	R650-D653 IonicContact NH1-OD2 2.9Å; R650-D653 PolarHBondContact NH1-OD2 3.5Å; G651-D653 PolarHBondContact O-N 3.45Å; D653-S655 PolarHBondContact O-N 3.41Å; D653-S655 VanDerWaalsContact O-N 3.11Å; D653-S655 VanDerWaalsContact OD1-CB 3.25Å; D653-S655 WeakPolarHBondContact OD1-CB 3.24Å; D653-S655 PolarHBondContact OD1-N 2.87Å; D653-S655 VanDerWaalsContact OD1-N 3.09Å; D653-S655 PolarHBondContact OD1-OG 2.92Å; D653-S655 PolarHBondContact OD2-OG 3.39Å; D653-K656 PolarHBondContact O-N 3.14Å
654	E	42.2	Very low	63.2	Low	181 Å²	181	94.8 Å²	94.8	85%	0.846	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-60.1	-14.8	170.3	-76.2	-168.5	166.9	0	0	112.1	P652	P652-E654 PolarHBondContact O-N 3.21Å; P652-E654 VanDerWaalsContact O-N 3.16Å
655	S	45.9	Very low	62.6	Low	47 Å²	47	96.1 Å²	96.1	33%	0.329	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-84.5	-11.1	179.7	79.3	0	0	0	0	114.8	D653 Y657 K658	D653-S655 PolarHBondContact O-N 3.41Å; D653-S655 VanDerWaalsContact O-N 3.11Å; D653-S655 VanDerWaalsContact OD1-CB 3.25Å; D653-S655 WeakPolarHBondContact OD1-CB 3.24Å; D653-S655 PolarHBondContact OD1-N 2.87Å; D653-S655 VanDerWaalsContact OD1-N 3.09Å; D653-S655 PolarHBondContact OD1-OG 2.92Å; D653-S655 PolarHBondContact OD2-OG 3.39Å; S655-Y657 PolarHBondContact O-N 3.39Å; S655-Y657 VanDerWaalsContact O-N 3.09Å; S655-K658 PolarHBondContact O-N 3.06Å
656	K	43.5	Very low	62	Low	179 Å²	179	99.7 Å²	99.7	78%	0.778	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-65.6	-11.8	171.6	-143.2	-179.9	-173.8	-178.3	0	112.5	D653	D653-K656 PolarHBondContact O-N 3.14Å
657	Y	44	Very low	61.8	Low	211 Å²	211	104.5 Å²	104.5	83%	0.827	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-95.3	7.3	168.7	-70.3	-78.8	0	0	0	114.3	S655	S655-Y657 PolarHBondContact O-N 3.39Å; S655-Y657 VanDerWaalsContact O-N 3.09Å
658	K	45	Very low	61.6	Low	174 Å²	174	104.7 Å²	104.7	76%	0.757	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-11.6	-179.5	-87	-174.9	177.1	174.8	0	115.8	S655 L660	S655-K658 PolarHBondContact O-N 3.06Å; K658-L660 VanDerWaalsContact C-N 3.34Å; K658-L660 PolarHBondContact O-N 3.29Å; K658-L660 VanDerWaalsContact O-N 3.08Å
659	T	47	Very low	61.4	Low	112 Å²	112	101.7 Å²	101.7	69%	0.687	52%	0.524	S	S	*	.	S	Bend	trans	-77.5	94.5	162.9	50.8	0	0	0	0	107.5	N661	T659-N661 PolarHBondContact O-N 2.98Å; T659-N661 VanDerWaalsContact O-N 3.15Å
660	L	57.4	Low	61.6	Low	62 Å²	62	101.3 Å²	101.3	33%	0.325	53%	0.527	S	S	.	.			trans	-49	122.8	173.2	-65.8	162.1	0	0	0	107.9	K658 E664 Q665 L668	K658-L660 VanDerWaalsContact C-N 3.34Å; K658-L660 PolarHBondContact O-N 3.29Å; K658-L660 VanDerWaalsContact O-N 3.08Å; L660-E664 VanDerWaalsContact CA-OE2 3.25Å; L660-E664 WeakPolarHBondContact CA-OE2 3.31Å; L660-E664 HydrophobicContact CB-CB 3.73Å; L660-E664 HydrophobicContact CD2-CB 3.67Å; L660-E664 HydrophobicContact CD2-CG 4.45Å; L660-E664 HydrophobicContact CG-CB 4.28Å; L660-Q665 HydrophobicContact CB-CG 3.61Å; L660-Q665 WeakPolarHBondContact O-CG 3.38Å; L660-Q665 PolarHBondContact O-NE2 2.94Å; L660-L668 HydrophobicContact CD1-CB 4.17Å; L660-L668 HydrophobicContact CD1-CD1 3.88Å; L660-L668 HydrophobicContact CD1-CD2 3.85Å; L660-L668 HydrophobicContact CD1-CG 4.17Å; L660-L668 HydrophobicContact CD2-CD1 4.43Å
661	N	71.6	Confident	62.3	Low	80 Å²	80	104.4 Å²	104.4	43%	0.428	54%	0.543	S	S	.	.			trans	-62.2	169.5	171.4	74.7	35.2	0	0	0	110	T659 D663 E664 Q665	T659-N661 PolarHBondContact O-N 2.98Å; T659-N661 VanDerWaalsContact O-N 3.15Å; N661-D663 PolarHBondContact O-N 2.8Å; N661-D663 WeakPolarHBondContact OD1-CA 2.9Å; N661-D663 WeakPolarHBondContact OD1-CB 3.34Å; N661-D663 PolarHBondContact OD1-N 3.27Å; N661-E664 PolarHBondContact N-OE2 3.43Å; N661-E664 CarbonylContact O-C 3.58Å; N661-E664 WeakPolarHBondContact O-CA 3.36Å; N661-E664 WeakPolarHBondContact O-CB 3.43Å; N661-E664 PolarHBondContact O-N 3.03Å; N661-E664 WeakPolarHBondContact OD1-CG 3.13Å; N661-E664 PolarHBondContact OD1-N 2.88Å; N661-Q665 WeakPolarHBondContact O-CG 3.14Å; N661-Q665 PolarHBondContact O-N 3.44Å
662	V	69.4	Low	63.8	Low	90 Å²	90	111 Å²	111	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-55.3	-40.6	-176.5	176.3	0	0	0	0	111.9	Q665 L666	V662-Q665 PolarHBondContact O-N 3.36Å; V662-L666 HydrophobicContact CG1-CD1 4.13Å; V662-L666 WeakPolarHBondContact O-CB 3.22Å; V662-L666 PolarHBondContact O-N 3.22Å
663	D	72.3	Confident	65.7	Low	111 Å²	111	114 Å²	114	59%	0.594	55%	0.552	S	S	*	*	H	α-helix	trans	-66.6	-39.4	177.3	-62.5	-39.9	0	0	0	111.6	N661 L666 Q667	N661-D663 PolarHBondContact O-N 2.8Å; N661-D663 WeakPolarHBondContact OD1-CA 2.9Å; N661-D663 WeakPolarHBondContact OD1-CB 3.34Å; N661-D663 PolarHBondContact OD1-N 3.27Å; D663-L666 PolarHBondContact O-N 3.41Å; D663-Q667 VanDerWaalsContact O-CB 3.26Å; D663-Q667 WeakPolarHBondContact O-CB 3.45Å; D663-Q667 WeakPolarHBondContact O-CG 3.36Å; D663-Q667 PolarHBondContact O-N 3.32Å
664	E	74.8	Confident	67.7	Low	73 Å²	73	113.6 Å²	113.6	34%	0.341	56%	0.558	S	S	.	*	H	α-helix	trans	-70.7	-34.3	177.1	-71.2	174.8	151.6	0	0	112	L660 N661 Q667 L668	L660-E664 VanDerWaalsContact CA-OE2 3.25Å; L660-E664 WeakPolarHBondContact CA-OE2 3.31Å; L660-E664 HydrophobicContact CB-CB 3.73Å; L660-E664 HydrophobicContact CD2-CB 3.67Å; L660-E664 HydrophobicContact CD2-CG 4.45Å; L660-E664 HydrophobicContact CG-CB 4.28Å; N661-E664 PolarHBondContact N-OE2 3.43Å; N661-E664 CarbonylContact O-C 3.58Å; N661-E664 WeakPolarHBondContact O-CA 3.36Å; N661-E664 WeakPolarHBondContact O-CB 3.43Å; N661-E664 PolarHBondContact O-N 3.03Å; N661-E664 WeakPolarHBondContact OD1-CG 3.13Å; N661-E664 PolarHBondContact OD1-N 2.88Å; E664-Q667 PolarHBondContact O-N 3.34Å; E664-L668 VanDerWaalsContact O-CB 3.32Å; E664-L668 WeakPolarHBondContact O-CB 3.28Å; E664-L668 PolarHBondContact O-N 3.27Å
665	Q	74	Confident	70	Confident	108 Å²	108	112.3 Å²	112.3	51%	0.505	55%	0.546	S	S	.	.	H	α-helix	trans	-68.8	-43.1	171.6	-70.4	-177.5	3.4	0	0	111	L660 N661 V662 Q667 L668 A669	L660-Q665 HydrophobicContact CB-CG 3.61Å; L660-Q665 WeakPolarHBondContact O-CG 3.38Å; L660-Q665 PolarHBondContact O-NE2 2.94Å; N661-Q665 WeakPolarHBondContact O-CG 3.14Å; N661-Q665 PolarHBondContact O-N 3.44Å; V662-Q665 PolarHBondContact O-N 3.36Å; Q665-Q667 VanDerWaalsContact C-N 3.31Å; Q665-L668 PolarHBondContact O-N 3.27Å; Q665-A669 WeakPolarHBondContact O-CB 3.37Å; Q665-A669 PolarHBondContact O-N 3.35Å
666	L	73.8	Confident	72.2	Confident	118 Å²	118	119 Å²	119	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-41.6	172.8	-117	116.3	0	0	0	110.9	V662 D663 A669 A670	V662-L666 HydrophobicContact CG1-CD1 4.13Å; V662-L666 WeakPolarHBondContact O-CB 3.22Å; V662-L666 PolarHBondContact O-N 3.22Å; D663-L666 PolarHBondContact O-N 3.41Å; L666-A669 PolarHBondContact O-N 3.5Å; L666-A670 VanDerWaalsContact O-CB 3.32Å; L666-A670 WeakPolarHBondContact O-CB 3.48Å; L666-A670 PolarHBondContact O-N 3.32Å
667	Q	79.1	Confident	74.4	Confident	106 Å²	106	113.4 Å²	113.4	50%	0.495	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-44.1	174.1	-77.9	173.4	13.4	0	0	111	D663 E664 Q665 A669 A670 F671	D663-Q667 VanDerWaalsContact O-CB 3.26Å; D663-Q667 WeakPolarHBondContact O-CB 3.45Å; D663-Q667 WeakPolarHBondContact O-CG 3.36Å; D663-Q667 PolarHBondContact O-N 3.32Å; E664-Q667 PolarHBondContact O-N 3.34Å; Q665-Q667 VanDerWaalsContact C-N 3.31Å; Q667-A669 VanDerWaalsContact C-N 3.31Å; Q667-A669 PolarHBondContact O-N 3.36Å; Q667-A670 CarbonylContact O-C 3.56Å; Q667-A670 WeakPolarHBondContact O-CA 3.38Å; Q667-A670 WeakPolarHBondContact O-CB 3.33Å; Q667-A670 PolarHBondContact O-N 3Å; Q667-A670 VanDerWaalsContact O-N 3.13Å; Q667-F671 HydrophobicContact CB-CD2 4.32Å; Q667-F671 HydrophobicContact CB-CE2 4.34Å; Q667-F671 WeakPolarHBondContact O-CB 3.48Å; Q667-F671 WeakPolarHBondContact O-CD2 2.88Å; Q667-F671 PolarHBondContact O-N 2.96Å
668	L	78.3	Confident	76.8	Confident	73 Å²	73	107.2 Å²	107.2	38%	0.382	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-39.8	178	-151.1	95.1	0	0	0	111	L660 E664 Q665 F671 R672	L660-L668 HydrophobicContact CD1-CB 4.17Å; L660-L668 HydrophobicContact CD1-CD1 3.88Å; L660-L668 HydrophobicContact CD1-CD2 3.85Å; L660-L668 HydrophobicContact CD1-CG 4.17Å; L660-L668 HydrophobicContact CD2-CD1 4.43Å; E664-L668 VanDerWaalsContact O-CB 3.32Å; E664-L668 WeakPolarHBondContact O-CB 3.28Å; E664-L668 PolarHBondContact O-N 3.27Å; Q665-L668 PolarHBondContact O-N 3.27Å; L668-F671 PolarHBondContact O-N 2.92Å; L668-R672 WeakPolarHBondContact O-CB 3.46Å; L668-R672 WeakPolarHBondContact O-CG 2.96Å; L668-R672 PolarHBondContact O-N 3.1Å
669	A	78.7	Confident	79.2	Confident	43 Å²	43	105.3 Å²	105.3	36%	0.355	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-41.3	172.5	0	0	0	0	0	111.6	Q665 L666 Q667 R672 R673	Q665-A669 WeakPolarHBondContact O-CB 3.37Å; Q665-A669 PolarHBondContact O-N 3.35Å; L666-A669 PolarHBondContact O-N 3.5Å; Q667-A669 VanDerWaalsContact C-N 3.31Å; Q667-A669 PolarHBondContact O-N 3.36Å; A669-R672 PolarHBondContact O-N 3.24Å; A669-R673 WeakPolarHBondContact O-CG 3.16Å; A669-R673 PolarHBondContact O-N 2.89Å
670	A	79.6	Confident	81.5	Confident	53 Å²	53	105 Å²	105	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-41.5	174.3	0	0	0	0	0	112.1	L666 Q667 R673 A674	L666-A670 VanDerWaalsContact O-CB 3.32Å; L666-A670 WeakPolarHBondContact O-CB 3.48Å; L666-A670 PolarHBondContact O-N 3.32Å; Q667-A670 CarbonylContact O-C 3.56Å; Q667-A670 WeakPolarHBondContact O-CA 3.38Å; Q667-A670 WeakPolarHBondContact O-CB 3.33Å; Q667-A670 PolarHBondContact O-N 3Å; Q667-A670 VanDerWaalsContact O-N 3.13Å; A670-R673 PolarHBondContact O-N 2.91Å; A670-A674 WeakPolarHBondContact O-CB 3.07Å; A670-A674 PolarHBondContact O-N 3.08Å
671	F	85.5	Confident	83.2	Confident	144 Å²	144	107 Å²	107	63%	0.632	53%	0.528	S	S	*	.	H	α-helix	trans	-62.9	-43.5	174.1	-84.5	-64.6	0	0	0	111	Q667 L668 R673 A674 W675	Q667-F671 HydrophobicContact CB-CD2 4.32Å; Q667-F671 HydrophobicContact CB-CE2 4.34Å; Q667-F671 WeakPolarHBondContact O-CB 3.48Å; Q667-F671 WeakPolarHBondContact O-CD2 2.88Å; Q667-F671 PolarHBondContact O-N 2.96Å; L668-F671 PolarHBondContact O-N 2.92Å; F671-R673 PolarHBondContact O-N 2.85Å; F671-A674 PolarHBondContact O-N 2.98Å; F671-W675 WeakPolarHBondContact O-CB 3.49Å; F671-W675 PolarHBondContact O-N 3.25Å
672	R	84.5	Confident	84.4	Confident	169 Å²	169	106.3 Å²	106.3	64%	0.638	53%	0.527	S	S	*	.	H	α-helix	trans	-60.5	-43.6	173.7	-76.3	-179.9	-178.4	-157.5	1.9	111.5	L668 A669 W675 W676	L668-R672 WeakPolarHBondContact O-CB 3.46Å; L668-R672 WeakPolarHBondContact O-CG 2.96Å; L668-R672 PolarHBondContact O-N 3.1Å; A669-R672 PolarHBondContact O-N 3.24Å; R672-W675 WeakPolarHBondContact O-CB 3.43Å; R672-W675 PolarHBondContact O-N 3.3Å; R672-W676 PolarHBondContact O-N 2.87Å
673	R	88.2	Confident	85.5	Confident	196 Å²	196	104.6 Å²	104.6	74%	0.74	52%	0.522	S	S	*	.	H	α-helix	trans	-63.2	-44.7	175.7	-72.2	174.2	-176.9	179.3	2.3	111.9	A669 A670 F671 W675 W676 A677	A669-R673 WeakPolarHBondContact O-CG 3.16Å; A669-R673 PolarHBondContact O-N 2.89Å; A670-R673 PolarHBondContact O-N 2.91Å; F671-R673 PolarHBondContact O-N 2.85Å; R673-W675 VanDerWaalsContact C-N 3.31Å; R673-W675 PolarHBondContact O-N 2.82Å; R673-W676 PolarHBondContact O-N 3.43Å; R673-A677 WeakPolarHBondContact O-CB 3.39Å; R673-A677 PolarHBondContact O-N 2.94Å
674	A	87.8	Confident	86.6	Confident	56 Å²	56	101.3 Å²	101.3	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-37.5	176	0	0	0	0	0	111.8	A670 F671 A677 L678	A670-A674 WeakPolarHBondContact O-CB 3.07Å; A670-A674 PolarHBondContact O-N 3.08Å; F671-A674 PolarHBondContact O-N 2.98Å; A674-A677 PolarHBondContact O-N 3.31Å; A674-L678 WeakPolarHBondContact O-CB 3.46Å; A674-L678 PolarHBondContact O-N 3Å
675	W	89.2	Confident	87.6	Confident	154 Å²	154	102.1 Å²	102.1	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-64.5	-46.2	176.1	-166.6	-108.5	0	0	0	111.5	F671 R672 R673 L678 W679	F671-W675 WeakPolarHBondContact O-CB 3.49Å; F671-W675 PolarHBondContact O-N 3.25Å; R672-W675 WeakPolarHBondContact O-CB 3.43Å; R672-W675 PolarHBondContact O-N 3.3Å; R673-W675 VanDerWaalsContact C-N 3.31Å; R673-W675 PolarHBondContact O-N 2.82Å; W675-L678 HydrophobicContact CE3-CD2 4.26Å; W675-L678 HydrophobicContact CZ3-CD2 4.19Å; W675-L678 WeakPolarHBondContact O-CB 3.37Å; W675-L678 PolarHBondContact O-N 3.32Å; W675-W679 AromaticContact CD1-CD1 3.7Å; W675-W679 AromaticContact CD1-NE1 3.71Å; W675-W679 AromaticContact CE2-NE1 3.31Å; W675-W679 VanDerWaalsContact CE2-NE1 3.31Å; W675-W679 HydrophobicContact CZ2-CZ2 4.48Å; W675-W679 AromaticContact CZ2-NE1 3.66Å; W675-W679 AromaticContact NE1-CD1 3.59Å; W675-W679 AromaticContact NE1-NE1 3.09Å; W675-W679 PolarHBondContact O-N 2.61Å
676	W	91.8	Very high	88.6	Confident	186 Å²	186	99.3 Å²	99.3	71%	0.705	52%	0.515	S	S	*	.	H	α-helix	trans	-61.7	-43.1	172.6	-78.5	113.7	0	0	0	112.1	R672 R673 L678 W679 V680	R672-W676 PolarHBondContact O-N 2.87Å; R673-W676 PolarHBondContact O-N 3.43Å; W676-L678 VanDerWaalsContact C-N 3.3Å; W676-L678 PolarHBondContact O-N 3.1Å; W676-W679 PolarHBondContact O-N 3.36Å; W676-V680 WeakPolarHBondContact O-CG2 3.47Å; W676-V680 PolarHBondContact O-N 2.85Å
677	A	91.3	Very high	89.6	Confident	62 Å²	62	97.9 Å²	97.9	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-38.6	176	0	0	0	0	0	112.2	R673 A674 V680 L681	R673-A677 WeakPolarHBondContact O-CB 3.39Å; R673-A677 PolarHBondContact O-N 2.94Å; A674-A677 PolarHBondContact O-N 3.31Å; A677-V680 PolarHBondContact O-N 2.84Å; A677-L681 WeakPolarHBondContact O-CB 3.41Å; A677-L681 PolarHBondContact O-N 3.03Å
678	L	94	Very high	90.4	Very high	81 Å²	81	99.2 Å²	99.2	42%	0.424	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-45.3	173.9	-179.5	66.4	0	0	0	111.5	A674 W675 W676 V680 L681 V682	A674-L678 WeakPolarHBondContact O-CB 3.46Å; A674-L678 PolarHBondContact O-N 3Å; W675-L678 HydrophobicContact CE3-CD2 4.26Å; W675-L678 HydrophobicContact CZ3-CD2 4.19Å; W675-L678 WeakPolarHBondContact O-CB 3.37Å; W675-L678 PolarHBondContact O-N 3.32Å; W676-L678 VanDerWaalsContact C-N 3.3Å; W676-L678 PolarHBondContact O-N 3.1Å; L678-V680 PolarHBondContact O-N 3.26Å; L678-L681 WeakPolarHBondContact O-CB 3.28Å; L678-L681 PolarHBondContact O-N 2.71Å; L678-V682 WeakPolarHBondContact O-CG2 3.49Å; L678-V682 PolarHBondContact O-N 2.62Å
679	W	94.8	Very high	91.2	Very high	135 Å²	135	100.2 Å²	100.2	51%	0.511	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-35.6	178.1	-78.3	108.1	0	0	0	113.1	W675 W676 L681 V682 A683	W675-W679 AromaticContact CD1-CD1 3.7Å; W675-W679 AromaticContact CD1-NE1 3.71Å; W675-W679 AromaticContact CE2-NE1 3.31Å; W675-W679 VanDerWaalsContact CE2-NE1 3.31Å; W675-W679 HydrophobicContact CZ2-CZ2 4.48Å; W675-W679 AromaticContact CZ2-NE1 3.66Å; W675-W679 AromaticContact NE1-CD1 3.59Å; W675-W679 AromaticContact NE1-NE1 3.09Å; W675-W679 PolarHBondContact O-N 2.61Å; W676-W679 PolarHBondContact O-N 3.36Å; W679-L681 VanDerWaalsContact C-N 3.33Å; W679-V682 HydrophobicContact CE3-CB 4.41Å; W679-V682 HydrophobicContact CE3-CG1 4.33Å; W679-V682 HydrophobicContact CZ3-CG1 4.34Å; W679-V682 PolarHBondContact O-N 2.71Å; W679-A683 WeakPolarHBondContact O-CB 3.32Å; W679-A683 PolarHBondContact O-N 3.42Å
680	V	94.5	Very high	91.9	Very high	105 Å²	105	106.8 Å²	106.8	64%	0.636	54%	0.537	S	S	*	.	H	α-helix	trans	-62.7	-41.3	171.1	172.2	0	0	0	0	110.8	W676 A677 L678 G684	W676-V680 WeakPolarHBondContact O-CG2 3.47Å; W676-V680 PolarHBondContact O-N 2.85Å; A677-V680 PolarHBondContact O-N 2.84Å; L678-V680 PolarHBondContact O-N 3.26Å; V680-G684 PolarHBondContact O-N 2.94Å
681	L	94.6	Very high	92.6	Very high	104 Å²	104	108.9 Å²	108.9	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-64.7	-45.6	174.9	-178.9	69.6	0	0	0	112.1	A677 L678 W679 A683 G684 I685	A677-L681 WeakPolarHBondContact O-CB 3.41Å; A677-L681 PolarHBondContact O-N 3.03Å; L678-L681 WeakPolarHBondContact O-CB 3.28Å; L678-L681 PolarHBondContact O-N 2.71Å; W679-L681 VanDerWaalsContact C-N 3.33Å; L681-A683 VanDerWaalsContact C-N 3.34Å; L681-A683 PolarHBondContact O-N 2.89Å; L681-G684 WeakPolarHBondContact O-CA 3.38Å; L681-G684 PolarHBondContact O-N 3.35Å; L681-G684 VanDerWaalsContact O-N 3.15Å; L681-I685 HydrophobicContact CD1-CD1 4.44Å; L681-I685 HydrophobicContact CG-CD1 4.08Å; L681-I685 WeakPolarHBondContact O-CG1 3.29Å; L681-I685 PolarHBondContact O-N 3.34Å
682	V	95.5	Very high	93	Very high	66 Å²	66	104.7 Å²	104.7	40%	0.4	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-44.4	177.2	170	0	0	0	0	110.7	L678 W679 G684 I685 A686	L678-V682 WeakPolarHBondContact O-CG2 3.49Å; L678-V682 PolarHBondContact O-N 2.62Å; W679-V682 HydrophobicContact CE3-CB 4.41Å; W679-V682 HydrophobicContact CE3-CG1 4.33Å; W679-V682 HydrophobicContact CZ3-CG1 4.34Å; W679-V682 PolarHBondContact O-N 2.71Å; V682-G684 VanDerWaalsContact C-N 3.34Å; V682-G684 PolarHBondContact O-N 3Å; V682-I685 PolarHBondContact O-N 2.97Å; V682-A686 WeakPolarHBondContact O-CB 3.4Å; V682-A686 PolarHBondContact O-N 3.17Å
683	A	94.3	Very high	93.4	Very high	54 Å²	54	101.2 Å²	101.2	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-42.9	173.9	0	0	0	0	0	111.5	W679 L681 A686 V687	W679-A683 WeakPolarHBondContact O-CB 3.32Å; W679-A683 PolarHBondContact O-N 3.42Å; L681-A683 VanDerWaalsContact C-N 3.34Å; L681-A683 PolarHBondContact O-N 2.89Å; A683-A686 PolarHBondContact O-N 3.44Å; A683-V687 VanDerWaalsContact O-CG2 3.3Å; A683-V687 WeakPolarHBondContact O-CG2 3Å; A683-V687 PolarHBondContact O-N 2.96Å
684	G	95.4	Very high	93.5	Very high	42 Å²	42	95 Å²	95	43%	0.433	50%	0.503	S	S	.	.	H	α-helix	trans	-59.8	-44.8	174.9	0	0	0	0	0	113.5	V680 L681 V682 V687 F688	V680-G684 PolarHBondContact O-N 2.94Å; L681-G684 WeakPolarHBondContact O-CA 3.38Å; L681-G684 PolarHBondContact O-N 3.35Å; L681-G684 VanDerWaalsContact O-N 3.15Å; V682-G684 VanDerWaalsContact C-N 3.34Å; V682-G684 PolarHBondContact O-N 3Å; G684-V687 PolarHBondContact O-N 3.35Å; G684-F688 WeakPolarHBondContact O-CB 3.24Å; G684-F688 PolarHBondContact O-N 3.42Å
685	I	95.4	Very high	93.6	Very high	89 Å²	89	95.6 Å²	95.6	46%	0.456	50%	0.502	S	S	.	.	H	α-helix	trans	-65.3	-43.3	176.2	-66.8	167.9	0	0	0	110.7	L681 V682 V687 F688 L689	L681-I685 HydrophobicContact CD1-CD1 4.44Å; L681-I685 HydrophobicContact CG-CD1 4.08Å; L681-I685 WeakPolarHBondContact O-CG1 3.29Å; L681-I685 PolarHBondContact O-N 3.34Å; V682-I685 PolarHBondContact O-N 2.97Å; I685-V687 VanDerWaalsContact C-N 3.34Å; I685-V687 PolarHBondContact O-N 2.93Å; I685-F688 PolarHBondContact O-N 3.06Å; I685-L689 HydrophobicContact CG2-CD1 3.95Å; I685-L689 HydrophobicContact CG2-CG 4.24Å; I685-L689 WeakPolarHBondContact O-CB 3.36Å; I685-L689 WeakPolarHBondContact O-CG 3.43Å; I685-L689 PolarHBondContact O-N 2.96Å
686	A	94.7	Very high	93.5	Very high	49 Å²	49	93 Å²	93	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-60.3	-44.3	178	0	0	0	0	0	111.5	V682 A683 L689 W690	V682-A686 WeakPolarHBondContact O-CB 3.4Å; V682-A686 PolarHBondContact O-N 3.17Å; A683-A686 PolarHBondContact O-N 3.44Å; A686-L689 PolarHBondContact O-N 3.42Å; A686-W690 WeakPolarHBondContact O-CB 3.46Å; A686-W690 PolarHBondContact O-N 2.89Å
687	V	95.2	Very high	93.2	Very high	89 Å²	89	88 Å²	88	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-44.8	174.5	170.7	0	0	0	0	111	A683 G684 I685 W690 I691	A683-V687 VanDerWaalsContact O-CG2 3.3Å; A683-V687 WeakPolarHBondContact O-CG2 3Å; A683-V687 PolarHBondContact O-N 2.96Å; G684-V687 PolarHBondContact O-N 3.35Å; I685-V687 VanDerWaalsContact C-N 3.34Å; I685-V687 PolarHBondContact O-N 2.93Å; V687-W690 WeakPolarHBondContact O-CB 3.4Å; V687-W690 PolarHBondContact O-N 2.98Å; V687-I691 HydrophobicContact CG1-CD1 3.99Å; V687-I691 WeakPolarHBondContact O-CG1 3.44Å; V687-I691 PolarHBondContact O-N 2.96Å
688	F	94.8	Very high	92.9	Very high	133 Å²	133	88.4 Å²	88.4	58%	0.583	49%	0.485	S	S	*	.	H	α-helix	trans	-60.7	-47	177.1	177.9	-98.2	0	0	0	112.4	G684 I685 W690 I691 V692	G684-F688 WeakPolarHBondContact O-CB 3.24Å; G684-F688 PolarHBondContact O-N 3.42Å; I685-F688 PolarHBondContact O-N 3.06Å; F688-W690 VanDerWaalsContact C-N 3.3Å; F688-W690 PolarHBondContact O-N 3.37Å; F688-I691 WeakPolarHBondContact O-CB 3.28Å; F688-I691 PolarHBondContact O-N 3.4Å; F688-V692 HydrophobicContact CD1-CG2 4.33Å; F688-V692 HydrophobicContact CE1-CG2 3.91Å; F688-V692 HydrophobicContact CE2-CG2 4.49Å; F688-V692 HydrophobicContact CZ-CG2 4Å; F688-V692 WeakPolarHBondContact O-CG2 3.34Å; F688-V692 PolarHBondContact O-N 3.48Å
689	L	94.7	Very high	92.3	Very high	95 Å²	95	90.9 Å²	90.9	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-39.7	176.2	-71.8	174.5	0	0	0	111.6	I685 A686 I691 V692 I693	I685-L689 HydrophobicContact CG2-CD1 3.95Å; I685-L689 HydrophobicContact CG2-CG 4.24Å; I685-L689 WeakPolarHBondContact O-CB 3.36Å; I685-L689 WeakPolarHBondContact O-CG 3.43Å; I685-L689 PolarHBondContact O-N 2.96Å; A686-L689 PolarHBondContact O-N 3.42Å; L689-I691 PolarHBondContact O-N 3.07Å; L689-V692 PolarHBondContact O-N 3.32Å; L689-I693 VanDerWaalsContact O-CG1 3.3Å; L689-I693 WeakPolarHBondContact O-CG1 3.48Å; L689-I693 PolarHBondContact O-N 2.8Å
690	W	94.2	Very high	91.3	Very high	181 Å²	181	92.1 Å²	92.1	69%	0.686	50%	0.504	S	S	*	.	H	α-helix	trans	-60	-44.9	174.4	-116.8	91.3	0	0	0	112	A686 V687 F688 V692 I693 V694	A686-W690 WeakPolarHBondContact O-CB 3.46Å; A686-W690 PolarHBondContact O-N 2.89Å; V687-W690 WeakPolarHBondContact O-CB 3.4Å; V687-W690 PolarHBondContact O-N 2.98Å; F688-W690 VanDerWaalsContact C-N 3.3Å; F688-W690 PolarHBondContact O-N 3.37Å; W690-V692 VanDerWaalsContact C-N 3.35Å; W690-V692 PolarHBondContact O-N 2.98Å; W690-I693 PolarHBondContact O-N 3.43Å; W690-V694 HydrophobicContact CE3-CG2 3.71Å; W690-V694 HydrophobicContact CZ3-CG2 3.85Å; W690-V694 VanDerWaalsContact O-CG2 3.3Å; W690-V694 WeakPolarHBondContact O-CG2 3.25Å; W690-V694 PolarHBondContact O-N 3.41Å
691	I	94.5	Very high	90.1	Very high	97 Å²	97	91.7 Å²	91.7	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.6	-68	165.3	0	0	0	110.6	V687 F688 L689 I693 V694 C695	V687-I691 HydrophobicContact CG1-CD1 3.99Å; V687-I691 WeakPolarHBondContact O-CG1 3.44Å; V687-I691 PolarHBondContact O-N 2.96Å; F688-I691 WeakPolarHBondContact O-CB 3.28Å; F688-I691 PolarHBondContact O-N 3.4Å; L689-I691 PolarHBondContact O-N 3.07Å; I691-I693 PolarHBondContact O-N 3.36Å; I691-V694 PolarHBondContact O-N 3.49Å; I691-C695 WeakPolarHBondContact O-CB 3.47Å; I691-C695 PolarHBondContact O-N 2.82Å; I691-C695 PolarHBondContact O-SG 2.6Å; I691-C695 VanDerWaalsContact O-SG 3.33Å
692	V	93.9	Very high	88.9	Confident	55 Å²	55	93.6 Å²	93.6	33%	0.333	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-44.1	177.6	172.9	0	0	0	0	111.6	F688 L689 W690 C695 L696	F688-V692 HydrophobicContact CD1-CG2 4.33Å; F688-V692 HydrophobicContact CE1-CG2 3.91Å; F688-V692 HydrophobicContact CE2-CG2 4.49Å; F688-V692 HydrophobicContact CZ-CG2 4Å; F688-V692 WeakPolarHBondContact O-CG2 3.34Å; F688-V692 PolarHBondContact O-N 3.48Å; L689-V692 PolarHBondContact O-N 3.32Å; W690-V692 VanDerWaalsContact C-N 3.35Å; W690-V692 PolarHBondContact O-N 2.98Å; V692-C695 WeakPolarHBondContact O-CB 3.41Å; V692-C695 PolarHBondContact O-N 3.29Å; V692-L696 HydrophobicContact CG1-CD1 4.02Å; V692-L696 HydrophobicContact CG1-CG 4.38Å; V692-L696 WeakPolarHBondContact O-CG 3.26Å; V692-L696 PolarHBondContact O-N 3.08Å
693	I	92.5	Very high	87.3	Confident	96 Å²	96	94.7 Å²	94.7	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-46	176.9	-69.1	166	0	0	0	110.3	L689 W690 I691 C695 L696 V697	L689-I693 VanDerWaalsContact O-CG1 3.3Å; L689-I693 WeakPolarHBondContact O-CG1 3.48Å; L689-I693 PolarHBondContact O-N 2.8Å; W690-I693 PolarHBondContact O-N 3.43Å; I691-I693 PolarHBondContact O-N 3.36Å; I693-C695 VanDerWaalsContact C-N 3.32Å; I693-C695 PolarHBondContact O-N 2.83Å; I693-L696 PolarHBondContact O-N 3.44Å; I693-V697 HydrophobicContact CG2-CG2 4.24Å; I693-V697 WeakPolarHBondContact O-CB 3.39Å; I693-V697 VanDerWaalsContact O-CG2 3.29Å; I693-V697 WeakPolarHBondContact O-CG2 3.48Å; I693-V697 PolarHBondContact O-N 2.94Å
694	V	90.1	Very high	85.6	Confident	67 Å²	67	100.6 Å²	100.6	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-60.4	-42.6	176.8	171.5	0	0	0	0	110.9	W690 I691 V697 T698	W690-V694 HydrophobicContact CE3-CG2 3.71Å; W690-V694 HydrophobicContact CZ3-CG2 3.85Å; W690-V694 VanDerWaalsContact O-CG2 3.3Å; W690-V694 WeakPolarHBondContact O-CG2 3.25Å; W690-V694 PolarHBondContact O-N 3.41Å; I691-V694 PolarHBondContact O-N 3.49Å; V694-V697 PolarHBondContact O-N 3.36Å; V694-T698 WeakPolarHBondContact O-CB 3.29Å; V694-T698 WeakPolarHBondContact O-CG2 3.42Å; V694-T698 PolarHBondContact O-N 2.9Å; V694-T698 PolarHBondContact O-OG1 3.43Å
695	C	90.3	Very high	83.8	Confident	67 Å²	67	109.1 Å²	109.1	45%	0.453	55%	0.553	S	S	.	*	H	α-helix	trans	-62	-42.2	174.5	-74.1	0	0	0	0	112.9	I691 V692 I693 T698 Q699	I691-C695 WeakPolarHBondContact O-CB 3.47Å; I691-C695 PolarHBondContact O-N 2.82Å; I691-C695 PolarHBondContact O-SG 2.6Å; I691-C695 VanDerWaalsContact O-SG 3.33Å; V692-C695 WeakPolarHBondContact O-CB 3.41Å; V692-C695 PolarHBondContact O-N 3.29Å; I693-C695 VanDerWaalsContact C-N 3.32Å; I693-C695 PolarHBondContact O-N 2.83Å; C695-T698 VanDerWaalsContact CA-OG1 3.28Å; C695-T698 WeakPolarHBondContact CA-OG1 3.22Å; C695-T698 PolarHBondContact O-OG1 3.29Å; C695-Q699 WeakPolarHBondContact O-CB 3.43Å; C695-Q699 WeakPolarHBondContact O-CG 3.44Å; C695-Q699 PolarHBondContact O-N 3.46Å
696	L	88.1	Confident	81.8	Confident	100 Å²	100	108.7 Å²	108.7	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-69.2	-40.9	178	-72.5	173	0	0	0	112.3	V692 I693 Q699 K700	V692-L696 HydrophobicContact CG1-CD1 4.02Å; V692-L696 HydrophobicContact CG1-CG 4.38Å; V692-L696 WeakPolarHBondContact O-CG 3.26Å; V692-L696 PolarHBondContact O-N 3.08Å; I693-L696 PolarHBondContact O-N 3.44Å; L696-Q699 PolarHBondContact O-N 3.46Å; L696-K700 PolarHBondContact O-N 3.3Å
697	V	85.7	Confident	79.5	Confident	81 Å²	81	116.3 Å²	116.3	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-65.2	-45.3	176.4	171.5	0	0	0	0	110.2	I693 V694 Q699 K700 C701	I693-V697 HydrophobicContact CG2-CG2 4.24Å; I693-V697 WeakPolarHBondContact O-CB 3.39Å; I693-V697 VanDerWaalsContact O-CG2 3.29Å; I693-V697 WeakPolarHBondContact O-CG2 3.48Å; I693-V697 PolarHBondContact O-N 2.94Å; V694-V697 PolarHBondContact O-N 3.36Å; V697-Q699 PolarHBondContact O-N 2.98Å; V697-K700 PolarHBondContact O-N 2.94Å; V697-C701 WeakPolarHBondContact O-CB 3.45Å; V697-C701 PolarHBondContact O-N 2.86Å; V697-C701 PolarHBondContact O-SG 3.29Å
698	T	83.3	Confident	77.2	Confident	71 Å²	71	120 Å²	120	44%	0.436	59%	0.587	S	S	.	*	H	α-helix	trans	-62.6	-41	175.4	43.5	0	0	0	0	111.9	V694 C695 K700 C701 L702	V694-T698 WeakPolarHBondContact O-CB 3.29Å; V694-T698 WeakPolarHBondContact O-CG2 3.42Å; V694-T698 PolarHBondContact O-N 2.9Å; V694-T698 PolarHBondContact O-OG1 3.43Å; C695-T698 VanDerWaalsContact CA-OG1 3.28Å; C695-T698 WeakPolarHBondContact CA-OG1 3.22Å; C695-T698 PolarHBondContact O-OG1 3.29Å; T698-K700 PolarHBondContact O-N 3.37Å; T698-C701 PolarHBondContact O-N 3.45Å; T698-L702 WeakPolarHBondContact O-CB 3.17Å; T698-L702 VanDerWaalsContact O-CG 3.23Å; T698-L702 WeakPolarHBondContact O-CG 3.39Å; T698-L702 PolarHBondContact O-N 3.13Å
699	Q	81.7	Confident	75.1	Confident	132 Å²	132	124.8 Å²	124.8	62%	0.617	60%	0.603	S	S	*	*	H	α-helix	trans	-60	-44.2	172	-82.9	-175.7	-17.2	0	0	112.6	C695 L696 V697 L702 D703	C695-Q699 WeakPolarHBondContact O-CB 3.43Å; C695-Q699 WeakPolarHBondContact O-CG 3.44Å; C695-Q699 PolarHBondContact O-N 3.46Å; L696-Q699 PolarHBondContact O-N 3.46Å; V697-Q699 PolarHBondContact O-N 2.98Å; Q699-L702 CarbonylContact O-C 3.54Å; Q699-L702 PolarHBondContact O-N 2.98Å; Q699-D703 PolarHBondContact O-N 2.97Å
700	K	74.1	Confident	72.6	Confident	161 Å²	161	129.5 Å²	129.5	70%	0.7	62%	0.62	S	S	*	*	H	α-helix	trans	-66.6	-36.4	177.1	-107	-175.7	175.2	-179.4	0	113.2	L696 V697 T698 L702 D703	L696-K700 PolarHBondContact O-N 3.3Å; V697-K700 PolarHBondContact O-N 2.94Å; T698-K700 PolarHBondContact O-N 3.37Å; K700-L702 VanDerWaalsContact C-N 3.29Å; K700-D703 WeakPolarHBondContact O-CB 3.25Å; K700-D703 PolarHBondContact O-N 3.18Å
701	C	69.9	Low	70.3	Confident	97 Å²	97	128.1 Å²	128.1	66%	0.655	63%	0.626	S	S	*	*	H	α-helix	trans	-70.2	-27.9	174.6	-70.5	0	0	0	0	112.3	V697 T698	V697-C701 WeakPolarHBondContact O-CB 3.45Å; V697-C701 PolarHBondContact O-N 2.86Å; V697-C701 PolarHBondContact O-SG 3.29Å; T698-C701 PolarHBondContact O-N 3.45Å
702	L	68.6	Low	68	Low	143 Å²	143	130.8 Å²	130.8	75%	0.749	64%	0.639	S	S	*	*	H	α-helix	trans	-83.4	-12.1	172.7	-69.3	169.3	0	0	0	113	T698 Q699 K700 F704	T698-L702 WeakPolarHBondContact O-CB 3.17Å; T698-L702 VanDerWaalsContact O-CG 3.23Å; T698-L702 WeakPolarHBondContact O-CG 3.39Å; T698-L702 PolarHBondContact O-N 3.13Å; Q699-L702 CarbonylContact O-C 3.54Å; Q699-L702 PolarHBondContact O-N 2.98Å; K700-L702 VanDerWaalsContact C-N 3.29Å; L702-F704 PolarHBondContact O-N 2.76Å; L702-F704 VanDerWaalsContact O-N 3.09Å
703	D	62	Low	65.9	Low	89 Å²	89	135.5 Å²	135.5	48%	0.476	66%	0.661	S	S	.	*			trans	-68.9	109.4	176.6	-160.4	-4.9	0	0	0	109.8	Q699 K700 R705 S706	Q699-D703 PolarHBondContact O-N 2.97Å; K700-D703 WeakPolarHBondContact O-CB 3.25Å; K700-D703 PolarHBondContact O-N 3.18Å; D703-R705 PolarHBondContact O-N 3.43Å; D703-S706 PolarHBondContact O-N 3.12Å; D703-S706 PolarHBondContact O-OG 2.73Å; D703-S706 VanDerWaalsContact O-OG 3.1Å
704	F	59.6	Low	63.9	Low	179 Å²	179	135.9 Å²	135.9	79%	0.785	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-59	-14.5	-169.3	-142.1	-91.2	0	0	0	113.4	L702	L702-F704 PolarHBondContact O-N 2.76Å; L702-F704 VanDerWaalsContact O-N 3.09Å
705	R	57.3	Low	62.1	Low	220 Å²	220	137.3 Å²	137.3	83%	0.83	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-79.1	-9.9	-178.9	-67.9	-176.2	176	-170.6	-0.2	114.9	D703	D703-R705 PolarHBondContact O-N 3.43Å
706	S	52.5	Low	60.1	Low	80 Å²	80	140.8 Å²	140.8	56%	0.559	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-88.2	3.9	-174.5	62.2	0	0	0	0	115.7	D703 H708	D703-S706 PolarHBondContact O-N 3.12Å; D703-S706 PolarHBondContact O-OG 2.73Å; D703-S706 VanDerWaalsContact O-OG 3.1Å; S706-H708 PolarHBondContact O-N 3.07Å; S706-H708 VanDerWaalsContact O-N 3.16Å
707	R	47.6	Very low	58.2	Low	210 Å²	210	146.3 Å²	146.3	79%	0.792	74%	0.738	S	S	*	*			trans	-84.5	83.3	176.8	-70.9	-171.7	-179.5	-170	1.2	112.6
708	H	45.9	Very low	56.8	Low	165 Å²	165	149.6 Å²	149.6	76%	0.764	75%	0.75	S	S	*	*			trans	-128	78.6	163.1	-83.2	-72.3	0	0	0	111.5	S706	S706-H708 PolarHBondContact O-N 3.07Å; S706-H708 VanDerWaalsContact O-N 3.16Å
709	Y	50	Low	55.4	Low	234 Å²	234	153.7 Å²	153.7	92%	0.918	77%	0.766	S	S	*	*			trans	-131.4	72.6	155.3	-70.6	-78.1	0	0	0	108.9
710	K	43.5	Very low	53.9	Low	195 Å²	195	154.9 Å²	154.9	85%	0.848	78%	0.775	S	S	*	*			trans	-109.2	97.2	152.1	-82.5	-173.1	177.6	-177.6	0	105.3
711	N	45.4	Very low	52.7	Low	152 Å²	152	154.5 Å²	154.5	81%	0.813	78%	0.779	S	S	*	*			trans	-175.2	59.2	157	-85.2	-16.6	0	0	0	107.6
712	I	46.9	Very low	51.7	Low	153 Å²	153	158.1 Å²	158.1	79%	0.785	79%	0.787	S	S	*	*			trans	-95.4	96.6	157.7	-60.3	175.3	0	0	0	104.2	V714	I712-V714 HydrophobicContact CG2-CG2 3.87Å
713	I	49.5	Very low	50.5	Low	153 Å²	153	159.1 Å²	159.1	79%	0.785	79%	0.789	S	S	*	*			trans	-87.4	105.9	162.4	-60.1	176.6	0	0	0	104.6	A715	I713-A715 PolarHBondContact O-N 2.85Å
714	V	50.5	Low	49.7	Very low	105 Å²	105	164.1 Å²	164.1	64%	0.636	81%	0.812	S	S	*	*			trans	-71.9	114.8	168.5	-178.1	0	0	0	0	106	I712 D716	I712-V714 HydrophobicContact CG2-CG2 3.87Å; V714-D716 PolarHBondContact O-N 3.06Å
715	A	52.7	Low	49	Very low	96 Å²	96	163 Å²	163	79%	0.793	81%	0.814	S	S	*	*			trans	-81.1	110	167.3	0	0	0	0	0	107.6	I713	I713-A715 PolarHBondContact O-N 2.85Å
716	D	46.4	Very low	48.3	Very low	141 Å²	141	158.3 Å²	158.3	75%	0.754	81%	0.813	S	S	*	*			trans	-73.6	130.3	167.3	-85.9	-35.8	0	0	0	109.9	V714	V714-D716 PolarHBondContact O-N 3.06Å
717	V	48.4	Very low	47.9	Very low	215 Å²	215	165.4 Å²	165.4	100%	1.303	84%	0.836	S	S	*	*			trans	42.4	0	157.7	-166.4	0	0	0	0	118.8

Retrieved 717 of 717 residues in 572.3 ms (Link to these results)

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