A0A087YDN3_POEFO Loading...

Ubiquinone biosynthesis monooxygenase COQ6, mitochondrial

FAD-dependent monooxygenase required for two non-consecutive steps during ubiquinone biosynthesis. Required for the C5-ring hydroxylation during ubiquinone biosynthesis by catalyzing the hydroxylation of 4-hydroxy-3-(all-trans-polyprenyl)benzoic acid to 3,4-dihydroxy-5-(all-trans-polyprenyl)benzoic acid. Also acts downstream of coq4, for the C1-hydroxylation during ubiquinone biosynthesis by catalyzing the hydroxylation of 2-methoxy-6-(all-trans-polyprenyl)phenol to 2-methoxy-6-(all-trans-polyprenyl)benzene-1,4-diol. The electrons required for the hydroxylation reaction are funneled indirectly to coq6 from NADPH via a ferredoxin/ferredoxin reductase system.

AlphaFold DB , UniProt , Accession A0A087YDN3, Species POEFO (Poecilia formosa, Amazon molly), Gene COQ6, Length 482 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	30.6	Very low	226 Å²	226	156.2 Å²	156.2	100%	1.113	83%	0.831	S	S	*	*				0	144.7	0	-78.1	167.5	77.1	0	0	108.8
2	H	30.8	Very low	30.4	Very low	186 Å²	186	155.6 Å²	155.6	86%	0.861	83%	0.828	S	S	*	*			trans	86.1	132.7	171.9	-75.3	-73.9	0	0	0	121.1
3	K	29.8	Very low	30.2	Very low	186 Å²	186	148.3 Å²	148.3	81%	0.809	81%	0.813	S	S	*	*			trans	-92.7	154.6	-167	-82.7	173.8	165.4	-179.8	0	112.5
4	L	36.2	Very low	30.3	Very low	151 Å²	151	151.1 Å²	151.1	79%	0.791	83%	0.825	S	S	*	*			trans	55.1	129	137	-70.6	161.9	0	0	0	121.3
5	T	28.8	Very low	30.2	Very low	129 Å²	129	145.9 Å²	145.9	79%	0.791	82%	0.821	S	S	*	*			trans	-179.3	149.2	139.8	20.2	0	0	0	0	106.1
6	K	27	Very low	30	Very low	197 Å²	197	152.1 Å²	152.1	86%	0.857	83%	0.827	S	S	*	*			cis	-166	157	11.7	-116.7	168	-178.9	179.8	0	107.5
7	A	29.7	Very low	29.8	Very low	91 Å²	91	149.7 Å²	149.7	75%	0.752	82%	0.822	S	S	*	*			trans	-76.7	179.4	172.4	0	0	0	0	0	112.5
8	P	37.4	Very low	29.6	Very low	128 Å²	128	150.5 Å²	150.5	83%	0.831	83%	0.825	S	S	*	*				-153.3	180	61.6	39.2	-15.3	0	0	0	119.1
9	L	26.8	Very low	29.5	Very low	151 Å²	151	150.4 Å²	150.4	79%	0.791	82%	0.821	S	S	*	*			trans	-58.1	159.6	-179.8	-73	115.6	0	0	0	119.6
10	V	25.3	Very low	29.3	Very low	140 Å²	140	149.4 Å²	149.4	85%	0.848	82%	0.82	S	S	*	*			trans	-147.1	111.9	132.8	-178.5	0	0	0	0	107.2
11	L	29.4	Very low	29.2	Very low	133 Å²	133	149.2 Å²	149.2	70%	0.696	81%	0.813	S	S	*	*				77.4	130.9	66.7	-106.9	146.8	0	0	0	117
12	N	28	Very low	28.8	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	79%	0.794	S	S	*	*			trans	96.6	124.5	163.2	-57.9	-24.2	0	0	0	116.9
13	G	28.6	Very low	28.5	Very low	61 Å²	61	146.2 Å²	146.2	63%	0.629	79%	0.794	S	S	*	*			cis	173.5	163.6	1.2	0	0	0	0	0	112.8
14	L	31.6	Very low	28.5	Very low	187 Å²	187	144.9 Å²	144.9	98%	0.979	80%	0.795	S	S	*	*			trans	59.8	131	152.1	-66.2	129.5	0	0	0	118.7
15	G	28.3	Very low	28.6	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	79%	0.794	S	S	*	*			cis	-171.1	165.8	13.8	0	0	0	0	0	112.4
16	R	27.2	Very low	28.6	Very low	245 Å²	245	141.7 Å²	141.7	93%	0.925	79%	0.793	S	S	*	*			trans	-71.8	153.8	-175.8	-67.7	170.4	165.9	-172.9	-5	113.1
17	C	26	Very low	29	Very low	111 Å²	111	138.5 Å²	138.5	75%	0.75	79%	0.79	S	S	*	*				179.3	129.8	108.5	-119.3	0	0	0	0	115.3
18	L	26	Very low	28.9	Very low	164 Å²	164	141.3 Å²	141.3	86%	0.859	79%	0.793	S	S	*	*			trans	68.9	141.8	139.3	-70	162	0	0	0	123
19	I	28.3	Very low	28.6	Very low	149 Å²	149	142.6 Å²	142.6	76%	0.764	79%	0.791	S	S	*	*			trans	-101.2	139.7	-173.4	-62.6	162.1	0	0	0	108.3
20	T	25.1	Very low	28.7	Very low	129 Å²	129	141.9 Å²	141.9	79%	0.791	79%	0.787	S	S	*	*				177.2	133.9	121.3	34.2	0	0	0	0	115.3
21	E	26.6	Very low	29	Very low	147 Å²	147	146.7 Å²	146.7	69%	0.687	79%	0.789	S	S	*	*			trans	38.3	123.1	148.2	-66.4	-160.7	120.1	0	0	126.7
22	K	28.1	Very low	28.9	Very low	160 Å²	160	151.6 Å²	151.6	70%	0.696	80%	0.799	S	S	*	*			trans	50.5	119	131.5	-68.9	175.1	-177.2	143.7	0	120.7
23	H	25.3	Very low	28.9	Very low	188 Å²	188	147.6 Å²	147.6	87%	0.87	79%	0.793	S	S	*	*				-177.7	128.9	107.9	-100.7	-77.9	0	0	0	110.3
24	L	28.7	Very low	28.9	Very low	159 Å²	159	152.6 Å²	152.6	83%	0.832	80%	0.804	S	S	*	*			trans	-73.6	162.3	158.1	-87.2	144.4	0	0	0	108.5
25	P	37.4	Very low	28.8	Very low	117 Å²	117	150.2 Å²	150.2	76%	0.76	80%	0.797	S	S	*	*			cis	-142.7	167.6	24	38.1	-17.9	0	0	0	115.9
26	A	28.9	Very low	28.9	Very low	95 Å²	95	151.8 Å²	151.8	79%	0.785	80%	0.795	S	S	*	*			trans	169.2	133.7	134.2	0	0	0	0	0	111
27	V	36.3	Very low	29.1	Very low	130 Å²	130	145 Å²	145	79%	0.788	79%	0.786	S	S	*	*			trans	-60.4	129.2	178.5	173.3	0	0	0	0	110.9	I29	V27-I29 HydrophobicContact CG1-CG1 4.39Å
28	N	27.1	Very low	29.3	Very low	150 Å²	150	148.4 Å²	148.4	80%	0.802	79%	0.79	S	S	*	*			trans	-122.2	109.8	164.6	-98.9	-24.7	0	0	0	109.9	I30	N28-I30 PolarHBondContact O-N 3.47Å
29	I	31.3	Very low	29.4	Very low	155 Å²	155	147.6 Å²	147.6	80%	0.795	79%	0.787	S	S	*	*			trans	-69.3	108.8	168.2	-66.9	169.7	0	0	0	107.2	V27 R31	V27-I29 HydrophobicContact CG1-CG1 4.39Å; I29-R31 PolarHBondContact O-N 3.05Å
30	I	28.5	Very low	29.5	Very low	137 Å²	137	152.1 Å²	152.1	70%	0.703	80%	0.795	S	S	*	*			trans	-89.4	100.3	172	-59.5	178.1	0	0	0	108.2	N28 R32	N28-I30 PolarHBondContact O-N 3.47Å; I30-R32 HydrophobicContact CG2-CG 4.18Å; I30-R32 PolarHBondContact O-N 3Å
31	R	31.5	Very low	30	Very low	240 Å²	240	152 Å²	152	91%	0.906	79%	0.794	S	S	*	*			trans	-64.8	110.4	155.9	-88.1	-176.7	172.5	-176.4	-1.8	107.6	I29	I29-R31 PolarHBondContact O-N 3.05Å
32	R	28.8	Very low	30.7	Very low	236 Å²	236	152.7 Å²	152.7	89%	0.891	80%	0.802	S	S	*	*			trans	-86.1	121.8	167	-99.6	-178.8	174.6	177.6	-1.6	109.5	I30	I30-R32 HydrophobicContact CG2-CG 4.18Å; I30-R32 PolarHBondContact O-N 3Å
33	G	27.8	Very low	31.3	Very low	66 Å²	66	149.8 Å²	149.8	68%	0.68	80%	0.802	S	S	*	*			trans	-65.9	160.9	-175.9	0	0	0	0	0	114.2	V35	G33-V35 PolarHBondContact O-N 3.3Å
34	L	28.6	Very low	32.4	Very low	166 Å²	166	145.3 Å²	145.3	87%	0.869	79%	0.792	S	S	*	*			trans	-55.3	115.7	172.2	-136.6	90.7	0	0	0	109.6
35	V	28.5	Very low	33.9	Very low	137 Å²	137	147.2 Å²	147.2	83%	0.83	79%	0.794	S	S	*	*			trans	-90.3	99.8	160.8	176.1	0	0	0	0	105.8	G33 S37	G33-V35 PolarHBondContact O-N 3.3Å; V35-S37 PolarHBondContact O-N 3.28Å
36	C	29.7	Very low	35.6	Very low	107 Å²	107	144 Å²	144	72%	0.723	77%	0.772	S	S	*	*			trans	-65.4	100.3	162.9	-86.1	0	0	0	0	107.6	E38	C36-E38 PolarHBondContact O-N 3.05Å
37	S	31.4	Very low	38.6	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	75%	0.75	S	S	*	*			trans	-71.7	122.3	160.4	-178.5	0	0	0	0	107.5	V35 N39	V35-S37 PolarHBondContact O-N 3.28Å; S37-N39 PolarHBondContact O-N 3.26Å
38	E	30.5	Very low	41.3	Very low	181 Å²	181	138.7 Å²	138.7	85%	0.846	73%	0.725	S	S	*	*			trans	-52.2	125.5	171	-69.8	173.7	149.4	0	0	109.8	C36 R40	C36-E38 PolarHBondContact O-N 3.05Å; E38-R40 PolarHBondContact O-N 3.43Å
39	N	29.6	Very low	44.6	Very low	148 Å²	148	131.6 Å²	131.6	79%	0.791	69%	0.687	S	S	*	*			trans	-63.2	100.9	170.6	-89.5	-21.7	0	0	0	108.8	S37 T41	S37-N39 PolarHBondContact O-N 3.26Å; N39-T41 VanDerWaalsContact C-N 3.26Å; N39-T41 HydrophobicContact CB-CG2 4.39Å; N39-T41 PolarHBondContact O-N 3.27Å
40	R	30	Very low	47.8	Very low	244 Å²	244	125.1 Å²	125.1	92%	0.921	65%	0.654	S	S	*	*			trans	-69.7	93.8	150.8	-86	-175.7	173.2	-175.5	-2	107.9	E38 D42	E38-R40 PolarHBondContact O-N 3.43Å; R40-D42 VanDerWaalsContact C-N 3.32Å; R40-D42 PolarHBondContact O-N 3.04Å
41	T	35.9	Very low	51.1	Low	127 Å²	127	118.7 Å²	118.7	78%	0.779	62%	0.621	S	S	*	*			trans	-69	86.5	166.2	44.5	0	0	0	0	109.8	N39	N39-T41 VanDerWaalsContact C-N 3.26Å; N39-T41 HydrophobicContact CB-CG2 4.39Å; N39-T41 PolarHBondContact O-N 3.27Å
42	D	40.3	Very low	54.3	Low	160 Å²	160	107.3 Å²	107.3	86%	0.856	58%	0.578	S	S	*	*			trans	-156.9	70.3	142.7	-148.9	8	0	0	0	109.4	R40	R40-D42 VanDerWaalsContact C-N 3.32Å; R40-D42 PolarHBondContact O-N 3.04Å
43	S	40.6	Very low	57.6	Low	100 Å²	100	96 Å²	96	70%	0.699	54%	0.536	S	S	*	.			trans	-103.4	91.9	174.4	153.7	0	0	0	0	106.7	K45	S43-K45 VanDerWaalsContact C-N 3.32Å; S43-K45 PolarHBondContact O-N 3.37Å
44	S	49.8	Very low	61	Low	94 Å²	94	93.2 Å²	93.2	66%	0.657	51%	0.506	S	S	*	.			trans	-58.3	103.6	157	63.6	0	0	0	0	106.1	T46	S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact O-OG1 2.8Å
45	K	58.3	Low	64.2	Low	199 Å²	199	85.9 Å²	85.9	87%	0.865	47%	0.47	S	S	*	.			trans	-52.3	102.8	174.7	-89.4	-179.1	175.1	176.8	0	107.8	S43 E47	S43-K45 VanDerWaalsContact C-N 3.32Å; S43-K45 PolarHBondContact O-N 3.37Å; K45-E47 PolarHBondContact O-N 2.92Å
46	T	75	Confident	67.3	Low	50 Å²	50	79.8 Å²	79.8	31%	0.307	44%	0.435	S	S	.	.			trans	-75.8	109.8	178.1	-58	0	0	0	0	106.6	S44 Q214	S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact O-OG1 2.8Å; T46-Q214 HydrophobicContact CG2-CB 4.36Å; T46-Q214 HydrophobicContact CG2-CG 3.6Å
47	E	89.9	Confident	70.4	Confident	67 Å²	67	76.3 Å²	76.3	31%	0.313	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.2	-178.2	-169.6	168.7	-164.4	0	0	110.7	K45 Y49 K77 L213 Q214	K45-E47 PolarHBondContact O-N 2.92Å; E47-Y49 HydrophobicContact CB-CE2 4.11Å; E47-Y49 VanDerWaalsContact CD-OH 3.31Å; E47-Y49 HydrophobicContact CG-CD2 4.29Å; E47-Y49 HydrophobicContact CG-CE2 3.62Å; E47-Y49 PolarHBondContact OE2-OH 3.2Å; E47-K77 IonicContact OE1-NZ 3.72Å; E47-L213 HydrophobicContact CB-CD2 4.13Å; E47-Q214 PolarHBondContact O-N 3.06Å
48	V	94.1	Very high	73.4	Confident	45 Å²	45	73 Å²	73	27%	0.273	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	-176	-178.1	0	0	0	0	109.1	W202 Q214	V48-W202 HydrophobicContact CB-CE3 4.38Å; V48-W202 HydrophobicContact CB-CZ3 4.03Å; V48-W202 HydrophobicContact CG1-CD2 4.23Å; V48-W202 HydrophobicContact CG1-CE3 3.49Å; V48-W202 VanDerWaalsContact CG1-CE3 3.49Å; V48-W202 HydrophobicContact CG1-CH2 3.88Å; V48-W202 HydrophobicContact CG1-CZ3 3.32Å; V48-W202 HydrophobicContact CG2-CE3 3.92Å; V48-W202 HydrophobicContact CG2-CH2 4.49Å; V48-W202 HydrophobicContact CG2-CZ3 3.49Å; V48-W202 VanDerWaalsContact CG2-CZ3 3.49Å; V48-Q214 WeakPolarHBondContact CA-O 3.36Å; V48-Q214 HydrophobicContact CG2-CB 4.16Å
49	Y	97.3	Very high	76.6	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.5	174.7	-67.6	-92.5	0	0	0	110.1	E47 I52 K77 L79 Q178 L213 Q214 A215 K216	E47-Y49 HydrophobicContact CB-CE2 4.11Å; E47-Y49 VanDerWaalsContact CD-OH 3.31Å; E47-Y49 HydrophobicContact CG-CD2 4.29Å; E47-Y49 HydrophobicContact CG-CE2 3.62Å; E47-Y49 PolarHBondContact OE2-OH 3.2Å; Y49-I52 HydrophobicContact CD2-CD1 4.15Å; Y49-I52 HydrophobicContact CD2-CG1 4.35Å; Y49-I52 HydrophobicContact CG-CG1 4.23Å; Y49-K77 HydrophobicContact CD1-CB 3.91Å; Y49-L79 HydrophobicContact CD1-CB 3.53Å; Y49-L79 HydrophobicContact CD2-CB 4.35Å; Y49-L79 HydrophobicContact CD2-CD2 4.07Å; Y49-L79 HydrophobicContact CE1-CB 3.61Å; Y49-L79 HydrophobicContact CE1-CD1 4.49Å; Y49-L79 HydrophobicContact CE1-CD2 4.25Å; Y49-L79 HydrophobicContact CE1-CG 4.34Å; Y49-L79 HydrophobicContact CE2-CB 4.4Å; Y49-L79 HydrophobicContact CE2-CD2 3.7Å; Y49-L79 HydrophobicContact CG-CB 3.92Å; Y49-L79 HydrophobicContact CG-CD2 4.47Å; Y49-Q178 PolarHBondContact OH-OE1 2.91Å; Y49-L213 HydrophobicContact CE2-CD1 4.46Å; Y49-L213 HydrophobicContact CE2-CD2 4.15Å; Y49-Q214 PolarHBondContact N-O 3.16Å; Y49-A215 WeakPolarHBondContact O-CA 3.5Å; Y49-K216 PolarHBondContact O-N 2.95Å
50	D	97.4	Very high	79.8	Confident	19 Å²	19	58.4 Å²	58.4	10%	0.102	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-41.3	171.9	-67.4	-69.8	0	0	0	109.9	K76 K77 K216 L217 L417	D50-K76 HydrophobicContact CB-CB 3.93Å; D50-K76 HydrophobicContact CB-CD 4.19Å; D50-K76 VanDerWaalsContact OD2-CA 3.31Å; D50-K76 WeakPolarHBondContact OD2-CA 3.37Å; D50-K77 PolarHBondContact N-O 3.43Å; D50-K77 PolarHBondContact OD2-N 2.94Å; D50-K216 WeakPolarHBondContact O-CB 3.25Å; D50-K216 WeakPolarHBondContact OD1-CD 3.5Å; D50-K216 WeakPolarHBondContact OD1-CE 3.4Å; D50-K216 IonicContact OD1-NZ 3Å; D50-K216 PolarHBondContact OD1-NZ 3.34Å; D50-L217 PolarHBondContact O-N 3.01Å; D50-L417 HydrophobicContact CB-CD1 4.28Å
51	V	98.4	Very high	83	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.7	176.5	-172.8	0	0	0	0	110.4	I53 L67 K77 I78 L79 L217 I219 L417	V51-I53 HydrophobicContact CG1-CG1 4.13Å; V51-L67 HydrophobicContact CB-CD1 4.48Å; V51-L67 HydrophobicContact CG1-CD1 3.96Å; V51-L67 HydrophobicContact CG2-CD1 4.43Å; V51-K77 PolarHBondContact N-O 2.99Å; V51-K77 VanDerWaalsContact N-O 3.12Å; V51-I78 HydrophobicContact CB-CG1 4.34Å; V51-I78 WeakPolarHBondContact O-CA 3.18Å; V51-L79 PolarHBondContact O-N 2.94Å; V51-L217 WeakPolarHBondContact CA-O 3.49Å; V51-L217 HydrophobicContact CG2-CB 4.47Å; V51-L217 HydrophobicContact CG2-CD2 4.37Å; V51-I219 HydrophobicContact CG1-CD1 3.66Å; V51-I219 HydrophobicContact CG1-CG1 4.02Å; V51-L417 HydrophobicContact CG2-CD1 3.98Å
52	I	98.6	Very high	86	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.1	163.6	-64.3	-172.9	0	0	0	108.3	Y49 L79 L81 V205 L213 A215 L217 L218 I219	Y49-I52 HydrophobicContact CD2-CD1 4.15Å; Y49-I52 HydrophobicContact CD2-CG1 4.35Å; Y49-I52 HydrophobicContact CG-CG1 4.23Å; I52-L79 CarbonylContact C-O 3.58Å; I52-L79 WeakPolarHBondContact CA-O 3.4Å; I52-L79 HydrophobicContact CD1-CD2 4.29Å; I52-L79 HydrophobicContact CG1-CB 4.31Å; I52-L79 HydrophobicContact CG1-CD2 4.41Å; I52-L81 HydrophobicContact CG2-CD1 3.6Å; I52-L81 HydrophobicContact CG2-CG 4.09Å; I52-V205 HydrophobicContact CD1-CG2 4.14Å; I52-L213 HydrophobicContact CD1-CB 3.84Å; I52-L213 HydrophobicContact CD1-CD1 4.43Å; I52-A215 HydrophobicContact CB-CB 3.78Å; I52-A215 HydrophobicContact CD1-CB 3.77Å; I52-A215 HydrophobicContact CG1-CB 3.56Å; I52-L217 PolarHBondContact N-O 2.96Å; I52-L218 HydrophobicContact CB-CD1 4.12Å; I52-L218 HydrophobicContact CG2-CD1 3.94Å; I52-L218 CarbonylContact O-C 3.53Å; I52-L218 WeakPolarHBondContact O-CA 3.24Å; I52-I219 PolarHBondContact O-N 3.21Å
53	I	98.7	Very high	88.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.9	173	-56.3	158.2	0	0	0	107.7	V51 M63 A64 L67 I78 L79 L80 L81 I219 A221	V51-I53 HydrophobicContact CG1-CG1 4.13Å; I53-M63 HydrophobicContact CD1-CB 4.12Å; I53-M63 HydrophobicContact CD1-CG 3.75Å; I53-M63 HydrophobicContact CG1-CG 4.22Å; I53-A64 VanDerWaalsContact CD1-CA 3.49Å; I53-A64 HydrophobicContact CD1-CB 3.64Å; I53-L67 HydrophobicContact CD1-CD1 4.33Å; I53-I78 HydrophobicContact CD1-CG2 4.13Å; I53-L79 PolarHBondContact N-O 2.9Å; I53-L80 HydrophobicContact CB-CD1 3.73Å; I53-L80 HydrophobicContact CG2-CD1 3.57Å; I53-L81 PolarHBondContact O-N 3.15Å; I53-I219 CarbonylContact C-O 3.57Å; I53-I219 WeakPolarHBondContact CA-O 3.39Å; I53-I219 HydrophobicContact CG1-CB 4.15Å; I53-I219 HydrophobicContact CG1-CD1 4.31Å; I53-A221 HydrophobicContact CG2-CB 4.18Å
54	S	97.7	Very high	91.5	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.4	179.9	-175.6	0	0	0	0	110	Y188 I219 A221 D222	S54-Y188 PolarHBondContact OG-OH 2.89Å; S54-I219 PolarHBondContact N-O 3.48Å; S54-A221 CarbonylContact O-C 3.45Å; S54-A221 VanDerWaalsContact O-C 3.25Å; S54-A221 WeakPolarHBondContact O-CA 3.42Å; S54-A221 PolarHBondContact O-N 3.33Å; S54-D222 PolarHBondContact O-N 3.49Å; S54-D222 VanDerWaalsContact O-N 3.11Å
55	G	96.3	Very high	93.7	Very high	11 Å²	11	24 Å²	24	11%	0.113	13%	0.134	C	C	.	.			trans	111.5	114.9	-177.4	0	0	0	0	0	112.2	G60 L81	G55-G60 WeakPolarHBondContact O-CA 3.17Å; G55-L81 WeakPolarHBondContact CA-O 3.48Å; G55-L81 PolarHBondContact N-O 3.48Å
56	G	93.9	Very high	95.6	Very high	9 Å²	9	15.2 Å²	15.2	9%	0.093	10%	0.098	C	C	.	.			trans	-101.4	39.5	179.6	0	0	0	0	0	113.9	S61 E82	G56-S61 VanDerWaalsContact C-OG 3.3Å; G56-S61 WeakPolarHBondContact CA-OG 3.39Å; G56-S61 PolarHBondContact O-OG 3.45Å; G56-E82 WeakPolarHBondContact CA-OE2 3.43Å; G56-E82 PolarHBondContact N-OE2 3.34Å
57	G	93.8	Very high	96.7	Very high	34 Å²	34	12.9 Å²	12.9	35%	0.351	8%	0.083	S	C	.	.	S	Bend	trans	-71.2	-170.5	165.8	0	0	0	0	0	112.4	V59 G60 S61	G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 2.81Å; G57-G60 PolarHBondContact O-N 2.88Å; G57-S61 WeakPolarHBondContact O-CB 3.42Å; G57-S61 PolarHBondContact O-N 2.89Å; G57-S61 PolarHBondContact O-OG 3.27Å; G57-S61 VanDerWaalsContact O-OG 3.07Å
58	M	95.1	Very high	97	Very high	34 Å²	34	9.9 Å²	9.9	17%	0.167	7%	0.07	C	C	.	.	H	α-helix	trans	-52.6	-48.9	178.3	-69.1	-177.5	-72.6	0	0	112.2	A62 N159 V162 V163 V393 F397	M58-A62 WeakPolarHBondContact O-CB 3.41Å; M58-A62 PolarHBondContact O-N 3Å; M58-N159 HydrophobicContact CE-CB 4.31Å; M58-N159 HydrophobicContact SD-CB 4.2Å; M58-V162 HydrophobicContact CB-CG1 4.46Å; M58-V162 HydrophobicContact CG-CB 4.33Å; M58-V162 HydrophobicContact CG-CG1 3.97Å; M58-V162 HydrophobicContact SD-CB 3.88Å; M58-V162 HydrophobicContact SD-CG1 3.82Å; M58-V162 HydrophobicContact SD-CG2 4.47Å; M58-V163 HydrophobicContact CB-CG2 4.42Å; M58-V163 HydrophobicContact CG-CG2 3.32Å; M58-V163 HydrophobicContact SD-CG2 4.45Å; M58-V393 HydrophobicContact CB-CG2 4.24Å; M58-V393 HydrophobicContact CE-CB 4.25Å; M58-V393 HydrophobicContact CE-CG2 3.66Å; M58-V393 HydrophobicContact SD-CG2 3.99Å; M58-F397 HydrophobicContact CB-CE1 4.43Å; M58-F397 HydrophobicContact CB-CZ 4.18Å
59	V	97.1	Very high	97	Very high	21 Å²	21	11 Å²	11	13%	0.127	7%	0.073	C	C	.	.	H	α-helix	trans	-71.9	-46.4	-175.1	-178.7	0	0	0	0	112.1	G57 A62 M63 I378 V400	G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 2.81Å; V59-A62 PolarHBondContact O-N 2.68Å; V59-M63 WeakPolarHBondContact O-CB 3.49Å; V59-M63 PolarHBondContact O-N 3.21Å; V59-I378 HydrophobicContact CG1-CB 4.3Å; V59-I378 HydrophobicContact CG1-CD1 3.65Å; V59-I378 HydrophobicContact CG1-CG1 3.78Å; V59-V400 HydrophobicContact CG1-CG2 3.76Å; V59-V400 WeakPolarHBondContact O-CG2 3.12Å
60	G	97.6	Very high	96.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-69.5	-37.7	-178.9	0	0	0	0	0	113.4	G55 G57 M63 A64	G55-G60 WeakPolarHBondContact O-CA 3.17Å; G57-G60 PolarHBondContact O-N 2.88Å; G60-M63 WeakPolarHBondContact O-CB 3.42Å; G60-M63 PolarHBondContact O-N 3.48Å; G60-A64 PolarHBondContact O-N 2.82Å
61	S	97.3	Very high	96.8	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-40.6	173	-62.7	0	0	0	0	111.6	G56 G57 M63 A64 C65 I166	G56-S61 VanDerWaalsContact C-OG 3.3Å; G56-S61 WeakPolarHBondContact CA-OG 3.39Å; G56-S61 PolarHBondContact O-OG 3.45Å; G57-S61 WeakPolarHBondContact O-CB 3.42Å; G57-S61 PolarHBondContact O-N 2.89Å; G57-S61 PolarHBondContact O-OG 3.27Å; G57-S61 VanDerWaalsContact O-OG 3.07Å; S61-M63 VanDerWaalsContact C-N 3.32Å; S61-M63 PolarHBondContact O-N 3.33Å; S61-A64 PolarHBondContact O-N 2.88Å; S61-C65 PolarHBondContact O-N 2.97Å; S61-C65 VanDerWaalsContact O-N 3.08Å; S61-I166 VanDerWaalsContact C-CG2 3.49Å
62	A	98.1	Very high	96.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-39.7	173.1	0	0	0	0	0	111.8	M58 V59 A64 C65 S66 I114 I166 F397 V400	M58-A62 WeakPolarHBondContact O-CB 3.41Å; M58-A62 PolarHBondContact O-N 3Å; V59-A62 PolarHBondContact O-N 2.68Å; A62-A64 PolarHBondContact O-N 2.88Å; A62-C65 PolarHBondContact O-N 2.87Å; A62-S66 VanDerWaalsContact O-CB 3.22Å; A62-S66 WeakPolarHBondContact O-CB 3.48Å; A62-S66 PolarHBondContact O-N 3.49Å; A62-I114 HydrophobicContact CB-CD1 4.04Å; A62-I166 HydrophobicContact CB-CD1 4.17Å; A62-F397 HydrophobicContact CB-CD1 4.08Å; A62-F397 HydrophobicContact CB-CE1 3.76Å; A62-V400 HydrophobicContact CB-CG2 4.49Å
63	M	98.5	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-46.4	173.8	-178.6	56.2	98.5	0	0	111.8	I53 V59 G60 S61 C65 S66 L67 I219 I378 V400 L403	I53-M63 HydrophobicContact CD1-CB 4.12Å; I53-M63 HydrophobicContact CD1-CG 3.75Å; I53-M63 HydrophobicContact CG1-CG 4.22Å; V59-M63 WeakPolarHBondContact O-CB 3.49Å; V59-M63 PolarHBondContact O-N 3.21Å; G60-M63 WeakPolarHBondContact O-CB 3.42Å; G60-M63 PolarHBondContact O-N 3.48Å; S61-M63 VanDerWaalsContact C-N 3.32Å; S61-M63 PolarHBondContact O-N 3.33Å; M63-C65 PolarHBondContact O-N 3.34Å; M63-S66 PolarHBondContact O-N 3.17Å; M63-L67 HydrophobicContact CG-CD1 3.98Å; M63-L67 HydrophobicContact CG-CG 4.3Å; M63-L67 WeakPolarHBondContact O-CG 3.29Å; M63-L67 PolarHBondContact O-N 2.89Å; M63-L67 HydrophobicContact SD-CD1 3.85Å; M63-L67 HydrophobicContact SD-CD2 4.05Å; M63-L67 HydrophobicContact SD-CG 3.7Å; M63-I219 HydrophobicContact CE-CD1 4.09Å; M63-I219 HydrophobicContact CG-CD1 4.03Å; M63-I219 HydrophobicContact SD-CD1 4.35Å; M63-I378 HydrophobicContact CB-CD1 3.93Å; M63-I378 HydrophobicContact CE-CD1 4Å; M63-I378 HydrophobicContact CE-CG2 4.38Å; M63-I378 HydrophobicContact CG-CD1 4.19Å; M63-V400 HydrophobicContact CB-CG1 4.42Å; M63-V400 HydrophobicContact CB-CG2 4.09Å; M63-V400 HydrophobicContact SD-CG1 4.2Å; M63-L403 HydrophobicContact CE-CB 3.69Å; M63-L403 HydrophobicContact CE-CD2 3.53Å; M63-L403 HydrophobicContact CE-CG 3.7Å
64	A	98.1	Very high	96.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-44.5	179	0	0	0	0	0	112	I53 G60 S61 A62 G68 L80 L170 V177	I53-A64 VanDerWaalsContact CD1-CA 3.49Å; I53-A64 HydrophobicContact CD1-CB 3.64Å; G60-A64 PolarHBondContact O-N 2.82Å; S61-A64 PolarHBondContact O-N 2.88Å; A62-A64 PolarHBondContact O-N 2.88Å; A64-G68 PolarHBondContact O-N 2.82Å; A64-L80 HydrophobicContact CB-CB 4.09Å; A64-L80 HydrophobicContact CB-CD2 4.04Å; A64-L80 HydrophobicContact CB-CG 4.46Å; A64-L170 HydrophobicContact CB-CD2 3.74Å; A64-V177 HydrophobicContact CB-CG1 4.36Å
65	C	97.3	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-47.1	173.6	-71.6	0	0	0	0	112.1	S61 A62 M63 L67 G68 M69 I114 L170	S61-C65 PolarHBondContact O-N 2.97Å; S61-C65 VanDerWaalsContact O-N 3.08Å; A62-C65 PolarHBondContact O-N 2.87Å; M63-C65 PolarHBondContact O-N 3.34Å; C65-L67 PolarHBondContact O-N 2.83Å; C65-G68 PolarHBondContact O-N 2.96Å; C65-G68 VanDerWaalsContact O-N 3.16Å; C65-M69 WeakPolarHBondContact O-CB 3.48Å; C65-M69 WeakPolarHBondContact O-CG 3.4Å; C65-M69 PolarHBondContact O-N 3.08Å; C65-I114 HydrophobicContact CB-CB 3.93Å; C65-I114 HydrophobicContact CB-CD1 4.11Å; C65-I114 HydrophobicContact CB-CG2 4.06Å; C65-L170 WeakPolarHBondContact SG-CD2 3.38Å; C65-L170 VanDerWaalsContact SG-CG 3.53Å
66	S	97.6	Very high	96.2	Very high	15 Å²	15	28.3 Å²	28.3	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-44.8	-176.2	-168.6	0	0	0	0	111.7	A62 M63 D70 T404	A62-S66 VanDerWaalsContact O-CB 3.22Å; A62-S66 WeakPolarHBondContact O-CB 3.48Å; A62-S66 PolarHBondContact O-N 3.49Å; M63-S66 PolarHBondContact O-N 3.17Å; S66-D70 PolarHBondContact O-N 3.35Å; S66-T404 WeakPolarHBondContact CB-OG1 3.45Å; S66-T404 WeakPolarHBondContact OG-CB 3.13Å; S66-T404 VanDerWaalsContact OG-CG2 3.26Å; S66-T404 WeakPolarHBondContact OG-CG2 3.45Å; S66-T404 PolarHBondContact OG-OG1 3.35Å
67	L	97.4	Very high	96.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-36	174.8	-61.8	177.2	0	0	0	112.4	V51 I53 M63 C65 L73 I78 I219 T404 L407	V51-L67 HydrophobicContact CB-CD1 4.48Å; V51-L67 HydrophobicContact CG1-CD1 3.96Å; V51-L67 HydrophobicContact CG2-CD1 4.43Å; I53-L67 HydrophobicContact CD1-CD1 4.33Å; M63-L67 HydrophobicContact CG-CD1 3.98Å; M63-L67 HydrophobicContact CG-CG 4.3Å; M63-L67 WeakPolarHBondContact O-CG 3.29Å; M63-L67 PolarHBondContact O-N 2.89Å; M63-L67 HydrophobicContact SD-CD1 3.85Å; M63-L67 HydrophobicContact SD-CD2 4.05Å; M63-L67 HydrophobicContact SD-CG 3.7Å; C65-L67 PolarHBondContact O-N 2.83Å; L67-L73 HydrophobicContact CB-CD1 4.16Å; L67-L73 HydrophobicContact CD2-CD1 3.5Å; L67-L73 HydrophobicContact CG-CD1 4.42Å; L67-L73 WeakPolarHBondContact O-CB 3.34Å; L67-I78 HydrophobicContact CB-CD1 3.58Å; L67-I78 HydrophobicContact CB-CG1 4.43Å; L67-I219 HydrophobicContact CD1-CD1 4.09Å; L67-T404 HydrophobicContact CD2-CG2 4.27Å; L67-L407 HydrophobicContact CD1-CD1 4.49Å; L67-L407 HydrophobicContact CD2-CB 4.34Å; L67-L407 HydrophobicContact CD2-CD1 3.78Å
68	G	96.1	Very high	96.6	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-34.8	-179.4	0	0	0	0	0	114.4	A64 C65	A64-G68 PolarHBondContact O-N 2.82Å; C65-G68 PolarHBondContact O-N 2.96Å; C65-G68 VanDerWaalsContact O-N 3.16Å
69	M	94.3	Very high	96.7	Very high	67 Å²	67	29.2 Å²	29.2	33%	0.33	18%	0.183	S	C	.	.	H	α-helix	trans	-83.8	-17.1	179.2	-71	-168.8	172.9	0	0	113.8	C65 P71 I114 Q169 M173	C65-M69 WeakPolarHBondContact O-CB 3.48Å; C65-M69 WeakPolarHBondContact O-CG 3.4Å; C65-M69 PolarHBondContact O-N 3.08Å; M69-P71 WeakPolarHBondContact O-CD 3.26Å; M69-I114 VanDerWaalsContact CE-C 3.47Å; M69-I114 WeakPolarHBondContact CE-O 3.4Å; M69-I114 VanDerWaalsContact SD-CA 3.56Å; M69-I114 HydrophobicContact SD-CB 4.32Å; M69-Q169 VanDerWaalsContact CE-CD 3.43Å; M69-Q169 HydrophobicContact CE-CG 3.69Å; M69-M173 HydrophobicContact CE-CE 3.26Å; M69-M173 HydrophobicContact CG-CE 3.55Å; M69-M173 HydrophobicContact CG-SD 3.93Å; M69-M173 HydrophobicContact SD-CE 4.2Å
70	D	96.1	Very high	96.8	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.139	18%	0.177	C	C	.	.			trans	-70.7	123.1	-176.6	-174.4	-71.4	0	0	0	111.1	S66 N72 L73 A74 S408	S66-D70 PolarHBondContact O-N 3.35Å; D70-N72 VanDerWaalsContact C-N 3.27Å; D70-N72 PolarHBondContact O-N 3.08Å; D70-N72 WeakPolarHBondContact OD1-CA 3.5Å; D70-N72 VanDerWaalsContact OD1-CB 3.3Å; D70-N72 WeakPolarHBondContact OD1-CB 3.32Å; D70-N72 PolarHBondContact OD1-N 3.47Å; D70-L73 HydrophobicContact CB-CB 4.17Å; D70-L73 HydrophobicContact CB-CD1 4.01Å; D70-L73 HydrophobicContact CB-CG 4.27Å; D70-L73 CarbonylContact O-C 3.28Å; D70-L73 PolarHBondContact O-N 3.04Å; D70-L73 PolarHBondContact OD1-N 2.98Å; D70-A74 PolarHBondContact O-N 3.45Å; D70-A74 VanDerWaalsContact O-N 3.14Å; D70-S408 PolarHBondContact OD1-OG 2.81Å; D70-S408 WeakPolarHBondContact OD2-CB 3.18Å; D70-S408 PolarHBondContact OD2-OG 3.36Å
71	P	95.4	Very high	96.8	Very high	109 Å²	109	28.3 Å²	28.3	71%	0.708	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-60.2	-32.2	-177	-25.8	34.8	0	0	0	114.4	M69 L73 A74	M69-P71 WeakPolarHBondContact O-CD 3.26Å; P71-L73 PolarHBondContact O-N 3.36Å; P71-A74 PolarHBondContact O-N 2.95Å
72	N	96.9	Very high	96.8	Very high	70 Å²	70	30 Å²	30	37%	0.374	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-75.3	-15.1	179.1	-59.8	-45.2	0	0	0	111.8	D70 S408 A411 F412	D70-N72 VanDerWaalsContact C-N 3.27Å; D70-N72 PolarHBondContact O-N 3.08Å; D70-N72 WeakPolarHBondContact OD1-CA 3.5Å; D70-N72 VanDerWaalsContact OD1-CB 3.3Å; D70-N72 WeakPolarHBondContact OD1-CB 3.32Å; D70-N72 PolarHBondContact OD1-N 3.47Å; N72-S408 PolarHBondContact ND2-OG 3.41Å; N72-A411 HydrophobicContact CB-CB 4.3Å; N72-A411 WeakPolarHBondContact O-CB 2.97Å; N72-F412 HydrophobicContact CB-CB 4.45Å
73	L	96.3	Very high	96.6	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-107.8	1.1	178.7	-62.8	172.9	0	0	0	113.6	L67 D70 P71 G75 K76 L407 A411 L417	L67-L73 HydrophobicContact CB-CD1 4.16Å; L67-L73 HydrophobicContact CD2-CD1 3.5Å; L67-L73 HydrophobicContact CG-CD1 4.42Å; L67-L73 WeakPolarHBondContact O-CB 3.34Å; D70-L73 HydrophobicContact CB-CB 4.17Å; D70-L73 HydrophobicContact CB-CD1 4.01Å; D70-L73 HydrophobicContact CB-CG 4.27Å; D70-L73 CarbonylContact O-C 3.28Å; D70-L73 PolarHBondContact O-N 3.04Å; D70-L73 PolarHBondContact OD1-N 2.98Å; P71-L73 PolarHBondContact O-N 3.36Å; L73-G75 PolarHBondContact O-N 3.31Å; L73-G75 VanDerWaalsContact O-N 3.07Å; L73-K76 HydrophobicContact CB-CG 4.28Å; L73-K76 HydrophobicContact CD2-CG 3.81Å; L73-K76 VanDerWaalsContact O-CB 3.29Å; L73-K76 WeakPolarHBondContact O-CB 3.18Å; L73-K76 WeakPolarHBondContact O-CG 3.38Å; L73-K76 PolarHBondContact O-N 2.87Å; L73-L407 HydrophobicContact CD1-CB 4.41Å; L73-A411 HydrophobicContact CD2-CB 3.57Å; L73-A411 HydrophobicContact CG-CB 4.39Å; L73-L417 HydrophobicContact CD2-CD1 4.17Å; L73-L417 HydrophobicContact CD2-CD2 4.14Å
74	A	93.8	Very high	96.4	Very high	60 Å²	60	34 Å²	34	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-33.2	-179	0	0	0	0	0	113.8	D70 P71 K76 N176	D70-A74 PolarHBondContact O-N 3.45Å; D70-A74 VanDerWaalsContact O-N 3.14Å; P71-A74 PolarHBondContact O-N 2.95Å; A74-K76 VanDerWaalsContact C-N 3.34Å; A74-K76 PolarHBondContact O-N 3.06Å; A74-N176 PolarHBondContact O-ND2 3.12Å
75	G	93.8	Very high	96.2	Very high	77 Å²	77	40.2 Å²	40.2	79%	0.794	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	4.4	176.7	0	0	0	0	0	115.6	L73	L73-G75 PolarHBondContact O-N 3.31Å; L73-G75 VanDerWaalsContact O-N 3.07Å
76	K	96.3	Very high	96	Very high	61 Å²	61	44.1 Å²	44.1	27%	0.265	27%	0.266	S	S	.	.	S	Bend	trans	-98.4	135.5	-176.7	-56.2	-58	-179.8	-165.6	0	111.2	D50 L73 A74 I78 N176 L417	D50-K76 HydrophobicContact CB-CB 3.93Å; D50-K76 HydrophobicContact CB-CD 4.19Å; D50-K76 VanDerWaalsContact OD2-CA 3.31Å; D50-K76 WeakPolarHBondContact OD2-CA 3.37Å; L73-K76 HydrophobicContact CB-CG 4.28Å; L73-K76 HydrophobicContact CD2-CG 3.81Å; L73-K76 VanDerWaalsContact O-CB 3.29Å; L73-K76 WeakPolarHBondContact O-CB 3.18Å; L73-K76 WeakPolarHBondContact O-CG 3.38Å; L73-K76 PolarHBondContact O-N 2.87Å; A74-K76 VanDerWaalsContact C-N 3.34Å; A74-K76 PolarHBondContact O-N 3.06Å; K76-I78 PolarHBondContact O-N 2.94Å; K76-N176 WeakPolarHBondContact O-CB 3.36Å; K76-L417 HydrophobicContact CD-CD1 4.2Å; K76-L417 HydrophobicContact CG-CD1 4.19Å
77	K	97.4	Very high	95.6	Very high	95 Å²	95	48.5 Å²	48.5	41%	0.413	28%	0.283	S	S	.	.			trans	-80.3	115.8	173.3	-79.5	-171.2	171	-166.5	0	110.6	E47 Y49 D50 V51	E47-K77 IonicContact OE1-NZ 3.72Å; Y49-K77 HydrophobicContact CD1-CB 3.91Å; D50-K77 PolarHBondContact N-O 3.43Å; D50-K77 PolarHBondContact OD2-N 2.94Å; V51-K77 PolarHBondContact N-O 2.99Å; V51-K77 VanDerWaalsContact N-O 3.12Å
78	I	98.4	Very high	95	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.2	-178.5	-60.3	155.4	0	0	0	108.8	V51 I53 L67 K76 N176 V177 Q178	V51-I78 HydrophobicContact CB-CG1 4.34Å; V51-I78 WeakPolarHBondContact O-CA 3.18Å; I53-I78 HydrophobicContact CD1-CG2 4.13Å; L67-I78 HydrophobicContact CB-CD1 3.58Å; L67-I78 HydrophobicContact CB-CG1 4.43Å; K76-I78 PolarHBondContact O-N 2.94Å; I78-N176 PolarHBondContact N-O 2.8Å; I78-V177 HydrophobicContact CB-CG2 4.32Å; I78-V177 HydrophobicContact CD1-CG2 4.16Å; I78-V177 HydrophobicContact CG2-CG1 4.5Å; I78-V177 WeakPolarHBondContact O-CA 3.35Å; I78-Q178 PolarHBondContact O-N 2.94Å
79	L	98.3	Very high	94.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	175.4	175	67.9	0	0	0	111	Y49 V51 I52 I53 L81 Q178 K180 L213	Y49-L79 HydrophobicContact CD1-CB 3.53Å; Y49-L79 HydrophobicContact CD2-CB 4.35Å; Y49-L79 HydrophobicContact CD2-CD2 4.07Å; Y49-L79 HydrophobicContact CE1-CB 3.61Å; Y49-L79 HydrophobicContact CE1-CD1 4.49Å; Y49-L79 HydrophobicContact CE1-CD2 4.25Å; Y49-L79 HydrophobicContact CE1-CG 4.34Å; Y49-L79 HydrophobicContact CE2-CB 4.4Å; Y49-L79 HydrophobicContact CE2-CD2 3.7Å; Y49-L79 HydrophobicContact CG-CB 3.92Å; Y49-L79 HydrophobicContact CG-CD2 4.47Å; V51-L79 PolarHBondContact O-N 2.94Å; I52-L79 CarbonylContact C-O 3.58Å; I52-L79 WeakPolarHBondContact CA-O 3.4Å; I52-L79 HydrophobicContact CD1-CD2 4.29Å; I52-L79 HydrophobicContact CG1-CB 4.31Å; I52-L79 HydrophobicContact CG1-CD2 4.41Å; I53-L79 PolarHBondContact N-O 2.9Å; L79-L81 HydrophobicContact CD1-CD2 4.36Å; L79-L81 HydrophobicContact CD2-CD2 3.74Å; L79-L81 HydrophobicContact CD2-CG 4.19Å; L79-L81 HydrophobicContact CG-CD2 3.99Å; L79-L81 HydrophobicContact CG-CG 4.23Å; L79-Q178 CarbonylContact C-O 3.55Å; L79-Q178 WeakPolarHBondContact CA-O 3.36Å; L79-Q178 HydrophobicContact CD1-CB 3.92Å; L79-K180 HydrophobicContact CD1-CB 4.31Å; L79-K180 HydrophobicContact CD1-CD 4.04Å; L79-K180 HydrophobicContact CD1-CG 3.87Å; L79-L213 HydrophobicContact CD2-CD1 3.36Å
80	L	98.3	Very high	94.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.2	168.3	-179.7	64	0	0	0	110.2	I53 A64 L170 Q178 V179 K180	I53-L80 HydrophobicContact CB-CD1 3.73Å; I53-L80 HydrophobicContact CG2-CD1 3.57Å; A64-L80 HydrophobicContact CB-CB 4.09Å; A64-L80 HydrophobicContact CB-CD2 4.04Å; A64-L80 HydrophobicContact CB-CG 4.46Å; L80-L170 HydrophobicContact CD2-CD1 3.75Å; L80-Q178 PolarHBondContact N-O 3.02Å; L80-V179 HydrophobicContact CB-CG1 4.2Å; L80-V179 HydrophobicContact CB-CG2 4.23Å; L80-V179 HydrophobicContact CD2-CG1 3.96Å; L80-V179 HydrophobicContact CD2-CG2 4.26Å; L80-V179 HydrophobicContact CG-CG1 4.2Å; L80-V179 WeakPolarHBondContact O-CA 3.2Å; L80-K180 PolarHBondContact O-N 2.87Å
81	L	98	Very high	93.9	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.016	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.8	175.4	-62.6	174.1	0	0	0	109.7	I52 I53 G55 L79 K180 V185 V205 L207 L213	I52-L81 HydrophobicContact CG2-CD1 3.6Å; I52-L81 HydrophobicContact CG2-CG 4.09Å; I53-L81 PolarHBondContact O-N 3.15Å; G55-L81 WeakPolarHBondContact CA-O 3.48Å; G55-L81 PolarHBondContact N-O 3.48Å; L79-L81 HydrophobicContact CD1-CD2 4.36Å; L79-L81 HydrophobicContact CD2-CD2 3.74Å; L79-L81 HydrophobicContact CD2-CG 4.19Å; L79-L81 HydrophobicContact CG-CD2 3.99Å; L79-L81 HydrophobicContact CG-CG 4.23Å; L81-K180 HydrophobicContact CD2-CB 4Å; L81-K180 HydrophobicContact CD2-CD 4.29Å; L81-V185 HydrophobicContact CB-CG2 4.5Å; L81-V185 HydrophobicContact CD1-CG2 3.59Å; L81-V205 HydrophobicContact CD1-CG1 3.99Å; L81-L207 HydrophobicContact CD1-CD2 3.83Å; L81-L207 HydrophobicContact CD2-CD1 4.32Å; L81-L207 HydrophobicContact CD2-CD2 4.13Å; L81-L213 HydrophobicContact CD2-CD1 4.38Å
82	E	96.3	Very high	93.7	Very high	38 Å²	38	61.7 Å²	61.7	18%	0.178	34%	0.338	C	S	.	.			trans	-121	128.7	175.8	175.2	45	-134	0	0	110.6	G56 G84 K180 Y181 K182 S183	G56-E82 WeakPolarHBondContact CA-OE2 3.43Å; G56-E82 PolarHBondContact N-OE2 3.34Å; E82-G84 WeakPolarHBondContact OE1-CA 3.3Å; E82-G84 PolarHBondContact OE1-N 2.73Å; E82-K180 PolarHBondContact N-O 3.28Å; E82-Y181 HydrophobicContact CB-CD1 3.92Å; E82-Y181 HydrophobicContact CB-CE1 4.3Å; E82-Y181 HydrophobicContact CG-CD1 3.92Å; E82-Y181 HydrophobicContact CG-CE1 4.29Å; E82-Y181 CarbonylContact O-C 3.58Å; E82-Y181 VanDerWaalsContact O-C 3.29Å; E82-Y181 WeakPolarHBondContact O-CA 3.34Å; E82-K182 PolarHBondContact O-N 3.22Å; E82-S183 PolarHBondContact O-N 3.45Å
83	A	94.8	Very high	93.5	Very high	58 Å²	58	61.5 Å²	61.5	48%	0.479	34%	0.34	S	S	.	.	S	Bend	trans	-75.5	-29.5	-177.8	0	0	0	0	0	112.7	K182 K184	A83-K182 WeakPolarHBondContact O-CA 3.33Å; A83-K184 HydrophobicContact CB-CB 4.11Å; A83-K184 HydrophobicContact CB-CG 4.39Å
84	G	93.4	Very high	93.1	Very high	26 Å²	26	67 Å²	67	27%	0.268	37%	0.369	S	S	.	.	S	Bend	trans	-84.8	-173.7	179.5	0	0	0	0	0	114.1	E82 K182	E82-G84 WeakPolarHBondContact OE1-CA 3.3Å; E82-G84 PolarHBondContact OE1-N 2.73Å; G84-K182 PolarHBondContact O-N 3.34Å
85	H	93.7	Very high	93	Very high	131 Å²	131	68.1 Å²	68.1	61%	0.606	37%	0.37	S	S	*	.			trans	-79.8	153.5	174.6	-67.5	-116.4	0	0	0	110.5	K87 K182	H85-K87 PolarHBondContact O-N 2.79Å; H85-K182 WeakPolarHBondContact CE1-CE 3.4Å; H85-K182 PolarHBondContact CE1-NZ 3.35Å; H85-K182 WeakPolarHBondContact ND1-CE 3.42Å
86	K	93.3	Very high	92.9	Very high	81 Å²	81	66.4 Å²	66.4	35%	0.352	34%	0.34	S	S	.	.			trans	-56.8	126.3	168.7	-175.5	175.8	174.2	178.4	0	109.8	V88 T167 D171 Y181	K86-V88 HydrophobicContact CD-CG2 3.94Å; K86-V88 HydrophobicContact CG-CG2 3.79Å; K86-V88 PolarHBondContact O-N 2.97Å; K86-T167 HydrophobicContact CD-CG2 4.44Å; K86-T167 HydrophobicContact CG-CG2 3.8Å; K86-D171 VanDerWaalsContact CE-OD1 3.3Å; K86-D171 WeakPolarHBondContact CE-OD1 3.48Å; K86-D171 WeakPolarHBondContact CE-OD2 3.36Å; K86-D171 IonicContact NZ-OD1 3.92Å; K86-D171 PolarHBondContact NZ-OD1 2.94Å; K86-D171 IonicContact NZ-OD2 2.96Å; K86-D171 PolarHBondContact NZ-OD2 3.43Å; K86-Y181 HydrophobicContact CB-CD1 3.89Å; K86-Y181 HydrophobicContact CB-CD2 3.86Å; K86-Y181 HydrophobicContact CB-CE1 3.81Å; K86-Y181 HydrophobicContact CB-CE2 3.79Å; K86-Y181 HydrophobicContact CB-CG 3.91Å; K86-Y181 HydrophobicContact CD-CD2 4.4Å; K86-Y181 HydrophobicContact CD-CE2 3.79Å; K86-Y181 HydrophobicContact CG-CD2 4.32Å; K86-Y181 HydrophobicContact CG-CE1 4.04Å; K86-Y181 HydrophobicContact CG-CE2 3.74Å
87	K	88.8	Confident	92.7	Very high	107 Å²	107	64.6 Å²	64.6	47%	0.465	34%	0.335	S	S	.	.			trans	-93.7	98.6	178.8	-60.6	-164.4	-168.6	179.3	0	109.3	H85 V163 T167	H85-K87 PolarHBondContact O-N 2.79Å; K87-V163 HydrophobicContact CB-CG1 4.11Å; K87-V163 HydrophobicContact CD-CB 4.43Å; K87-V163 HydrophobicContact CD-CG1 3.79Å; K87-V163 HydrophobicContact CG-CG1 4.36Å; K87-T167 WeakPolarHBondContact O-CB 3.2Å; K87-T167 WeakPolarHBondContact O-CG2 3.45Å
88	V	86.6	Confident	92.3	Very high	87 Å²	87	61.4 Å²	61.4	53%	0.527	32%	0.324	S	S	.	.			trans	-105.2	141.5	175	-171.4	0	0	0	0	108.5	K86	K86-V88 HydrophobicContact CD-CG2 3.94Å; K86-V88 HydrophobicContact CG-CG2 3.79Å; K86-V88 PolarHBondContact O-N 2.97Å
89	M	88.9	Confident	91.9	Very high	40 Å²	40	66.9 Å²	66.9	20%	0.197	34%	0.344	C	S	.	.			trans	-131.6	102.8	172.6	-178.4	155.2	44.7	0	0	109.1	R91 V92 M123 I161 A164	M89-R91 WeakPolarHBondContact CG-O 3.34Å; M89-V92 HydrophobicContact SD-CG2 4.48Å; M89-M123 HydrophobicContact CE-SD 3.99Å; M89-I161 VanDerWaalsContact CE-CA 3.41Å; M89-I161 HydrophobicContact CE-CB 4.04Å; M89-I161 HydrophobicContact CE-CG1 3.51Å; M89-A164 HydrophobicContact CB-CB 3.59Å; M89-A164 HydrophobicContact CE-CB 3.64Å
90	D	84.2	Confident	91.6	Very high	152 Å²	152	67.9 Å²	67.9	81%	0.813	35%	0.35	S	S	*	.	S	Bend	trans	-79	-33.8	177.5	-60.6	-43.1	0	0	0	111.5
91	R	89.4	Confident	91.3	Very high	185 Å²	185	68.4 Å²	68.4	70%	0.698	35%	0.354	S	S	*	.	S	Bend	trans	-138.8	135.2	176.4	179.1	176.5	171.4	-176.7	-5	109.9	M89 D94	M89-R91 WeakPolarHBondContact CG-O 3.34Å; R91-D94 IonicContact NH2-OD1 3.51Å; R91-D94 PolarHBondContact NH2-OD1 2.9Å; R91-D94 IonicContact NH2-OD2 2.77Å
92	V	91.8	Very high	91.1	Very high	21 Å²	21	68.2 Å²	68.2	13%	0.127	35%	0.353	C	S	.	.			trans	-70.8	126	173.4	-168.1	0	0	0	0	109.2	M89 M123 I161	M89-V92 HydrophobicContact SD-CG2 4.48Å; V92-M123 HydrophobicContact CG2-CB 3.6Å; V92-M123 HydrophobicContact CG2-CG 3.69Å; V92-M123 HydrophobicContact CG2-SD 4.15Å; V92-I161 HydrophobicContact CG1-CD1 3.96Å; V92-I161 HydrophobicContact CG1-CG1 4.47Å
93	P	91.3	Very high	91	Very high	65 Å²	65	66.4 Å²	66.4	42%	0.422	35%	0.345	S	S	.	.			trans	-60.3	146.9	176	-22.7	33.5	0	0	0	112.1	T95 R124	P93-T95 PolarHBondContact O-N 2.95Å; P93-R124 VanDerWaalsContact O-CZ 3.29Å; P93-R124 PolarHBondContact O-NH1 3.02Å; P93-R124 PolarHBondContact O-NH2 2.77Å
94	D	89.1	Confident	90.9	Very high	119 Å²	119	63.8 Å²	63.8	64%	0.636	32%	0.322	S	S	*	.	S	Bend	trans	-66.9	-22.1	178	-57.9	-31.8	0	0	0	112.1	R91	R91-D94 IonicContact NH2-OD1 3.51Å; R91-D94 PolarHBondContact NH2-OD1 2.9Å; R91-D94 IonicContact NH2-OD2 2.77Å
95	T	91.1	Very high	90.8	Very high	84 Å²	84	64 Å²	64	52%	0.515	32%	0.32	S	S	.	.	S	Bend	trans	-85.5	138.8	172.1	54.4	0	0	0	0	111.3	P93 P354	P93-T95 PolarHBondContact O-N 2.95Å; T95-P354 HydrophobicContact CG2-CG 4.47Å
96	Y	92.8	Very high	90.7	Very high	40 Å²	40	59.1 Å²	59.1	16%	0.157	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-77.7	143	174.2	-77.5	-96.9	0	0	0	111.8	R124 E158 L276 S277 K280	Y96-R124 HydrophobicContact CE1-CG 4.27Å; Y96-E158 HydrophobicContact CD1-CG 4.28Å; Y96-E158 WeakPolarHBondContact CD1-OE1 3.46Å; Y96-L276 HydrophobicContact CD1-CB 4Å; Y96-L276 HydrophobicContact CD1-CD1 3.83Å; Y96-L276 HydrophobicContact CD1-CD2 4.08Å; Y96-L276 HydrophobicContact CD1-CG 4.2Å; Y96-L276 HydrophobicContact CE1-CB 3.63Å; Y96-L276 HydrophobicContact CE1-CD1 4.35Å; Y96-L276 HydrophobicContact CE1-CD2 4.24Å; Y96-L276 HydrophobicContact CE1-CG 4.29Å; Y96-L276 HydrophobicContact CG-CD1 4.02Å; Y96-L276 PolarHBondContact OH-O 3.3Å; Y96-S277 WeakPolarHBondContact OH-CB 3.38Å; Y96-K280 HydrophobicContact CD2-CD 3.91Å; Y96-K280 HydrophobicContact CE2-CD 3.87Å
97	S	91.1	Very high	90.8	Very high	23 Å²	23	55.4 Å²	55.4	16%	0.161	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-67.4	144.2	165.5	-173.4	0	0	0	0	110.9	R99 E158 D160	S97-R99 PolarHBondContact O-N 3.09Å; S97-R99 PolarHBondContact OG-N 3.46Å; S97-E158 VanDerWaalsContact CB-OE2 3.26Å; S97-E158 WeakPolarHBondContact CB-OE2 3.36Å; S97-E158 PolarHBondContact N-OE2 3.47Å; S97-D160 PolarHBondContact OG-OD2 3.08Å
98	T	89.3	Confident	91.1	Very high	28 Å²	28	50.6 Å²	50.6	17%	0.172	27%	0.269	C	S	.	.	S	Bend	trans	-77.3	-10.9	175	59.2	0	0	0	0	112.3	S356	T98-S356 WeakPolarHBondContact CG2-O 3.48Å
99	R	89.2	Confident	91.5	Very high	117 Å²	117	51.1 Å²	51.1	44%	0.442	27%	0.272	S	S	.	.			trans	-105.9	95.1	-178.8	-64.4	-67.5	-65.6	-179.8	0.4	108.7	S97 N159	S97-R99 PolarHBondContact O-N 3.09Å; S97-R99 PolarHBondContact OG-N 3.46Å; R99-N159 HydrophobicContact CB-CB 4.39Å; R99-N159 WeakPolarHBondContact O-CB 3.3Å; R99-N159 VanDerWaalsContact O-CG 3.27Å; R99-N159 PolarHBondContact O-N 3.07Å; R99-N159 PolarHBondContact O-OD1 3.29Å
100	V	92.1	Very high	91.9	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.127	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	154.7	175.1	-55.6	0	0	0	0	111	I156 V157 E158 N159 L274 L276 S282	V100-I156 HydrophobicContact CB-CG2 3.84Å; V100-I156 HydrophobicContact CG1-CG2 4.37Å; V100-I156 HydrophobicContact CG2-CG2 3.82Å; V100-V157 CarbonylContact C-O 3.55Å; V100-V157 VanDerWaalsContact CA-O 3.31Å; V100-V157 WeakPolarHBondContact CA-O 3.45Å; V100-E158 HydrophobicContact CG1-CG 4.22Å; V100-N159 VanDerWaalsContact C-OD1 3.26Å; V100-L274 HydrophobicContact CG2-CD1 4.42Å; V100-L276 HydrophobicContact CG1-CD2 3.88Å; V100-S282 WeakPolarHBondContact CG2-OG 3.28Å
101	S	92.8	Very high	92.5	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.07	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.5	172.4	-62.4	0	0	0	0	109.8	I156 V157 N159	S101-I156 WeakPolarHBondContact O-CA 3.36Å; S101-V157 PolarHBondContact N-O 3.26Å; S101-V157 PolarHBondContact O-N 3.21Å; S101-N159 WeakPolarHBondContact CB-OD1 3.37Å; S101-N159 PolarHBondContact N-OD1 3.03Å; S101-N159 VanDerWaalsContact N-OD1 3.17Å; S101-N159 PolarHBondContact OG-OD1 2.97Å
102	S	93	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.8	168.3	-175	0	0	0	0	107.9	Y128 A154 A389 N394	S102-Y128 WeakPolarHBondContact OG-CE1 3.4Å; S102-Y128 PolarHBondContact OG-OH 3.04Å; S102-A154 WeakPolarHBondContact OG-CB 3.41Å; S102-A389 WeakPolarHBondContact CB-O 3.36Å; S102-N394 PolarHBondContact O-ND2 2.85Å; S102-N394 PolarHBondContact O-OD1 2.86Å
103	I	94.4	Very high	93	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.3	-178.6	-55.4	-57.6	0	0	0	109	A108 L111 W117 A154 Y155 V157 V393 F397	I103-A108 HydrophobicContact CG2-CB 4.24Å; I103-L111 HydrophobicContact CG2-CD1 4.06Å; I103-W117 HydrophobicContact CB-CZ3 4.43Å; I103-W117 HydrophobicContact CG2-CH2 4.25Å; I103-W117 HydrophobicContact CG2-CZ3 3.89Å; I103-A154 WeakPolarHBondContact O-CA 3.34Å; I103-A154 VanDerWaalsContact O-CB 3.23Å; I103-A154 WeakPolarHBondContact O-CB 3.3Å; I103-Y155 PolarHBondContact N-O 2.63Å; I103-Y155 PolarHBondContact O-N 2.64Å; I103-V157 HydrophobicContact CG1-CB 4.09Å; I103-V157 HydrophobicContact CG1-CG2 3.78Å; I103-V393 HydrophobicContact CD1-CG1 3.83Å; I103-F397 HydrophobicContact CD1-CE2 4.22Å
104	S	92.1	Very high	93.2	Very high	2 Å²	2	36 Å²	36	1%	0.014	22%	0.22	C	C	.	.			trans	-68.7	159	176.4	70.6	0	0	0	0	111.8	G106 S107 A108 N394	S104-G106 VanDerWaalsContact C-N 3.28Å; S104-G106 PolarHBondContact O-N 2.71Å; S104-S107 WeakPolarHBondContact O-CB 3.24Å; S104-S107 PolarHBondContact O-N 3.28Å; S104-S107 VanDerWaalsContact O-N 3.08Å; S104-S107 PolarHBondContact OG-N 2.94Å; S104-S107 PolarHBondContact OG-OG 3.33Å; S104-S107 VanDerWaalsContact OG-OG 3.12Å; S104-A108 PolarHBondContact O-N 2.87Å; S104-N394 PolarHBondContact N-OD1 3.17Å; S104-N394 VanDerWaalsContact N-OD1 3.09Å
105	P	91	Very high	93.5	Very high	32 Å²	32	31.8 Å²	31.8	21%	0.208	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-37.9	174.4	-27.7	36.6	0	0	0	113.6	A108 T109 M153	P105-A108 PolarHBondContact O-N 3.16Å; P105-T109 WeakPolarHBondContact O-CB 3.35Å; P105-T109 PolarHBondContact O-N 2.99Å; P105-T109 PolarHBondContact O-OG1 3.44Å; P105-M153 VanDerWaalsContact CD-O 3.23Å; P105-M153 WeakPolarHBondContact CD-O 3.48Å; P105-M153 WeakPolarHBondContact CG-O 3.37Å
106	G	91.7	Very high	93.8	Very high	27 Å²	27	27.8 Å²	27.8	28%	0.278	18%	0.18	S	C	.	.	H	α-helix	trans	-61.6	-43.4	173.1	0	0	0	0	0	112.2	S104 T109 L110 S481	S104-G106 VanDerWaalsContact C-N 3.28Å; S104-G106 PolarHBondContact O-N 2.71Å; G106-T109 WeakPolarHBondContact O-CB 3.34Å; G106-T109 PolarHBondContact O-N 3.49Å; G106-L110 PolarHBondContact O-N 3.29Å; G106-S481 WeakPolarHBondContact CA-O 3.12Å; G106-S481 PolarHBondContact N-O 3.33Å
107	S	95.4	Very high	94	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-39.8	175.7	-64.9	0	0	0	0	112.6	S104 T109 L110 L111 N394	S104-S107 WeakPolarHBondContact O-CB 3.24Å; S104-S107 PolarHBondContact O-N 3.28Å; S104-S107 VanDerWaalsContact O-N 3.08Å; S104-S107 PolarHBondContact OG-N 2.94Å; S104-S107 PolarHBondContact OG-OG 3.33Å; S104-S107 VanDerWaalsContact OG-OG 3.12Å; S107-T109 VanDerWaalsContact C-N 3.26Å; S107-T109 PolarHBondContact O-N 2.66Å; S107-L110 PolarHBondContact O-N 3.02Å; S107-L111 WeakPolarHBondContact O-CB 3.43Å; S107-L111 VanDerWaalsContact O-CG 3.28Å; S107-L111 WeakPolarHBondContact O-CG 3.48Å; S107-L111 PolarHBondContact O-N 3.25Å; S107-N394 WeakPolarHBondContact CB-OD1 3.22Å; S107-N394 WeakPolarHBondContact OG-CA 3.42Å; S107-N394 PolarHBondContact OG-OD1 2.95Å
108	A	95.5	Very high	94.1	Very high	7 Å²	7	31.6 Å²	31.6	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-36	172.9	0	0	0	0	0	111.7	I103 S104 P105 L111 S112 W117 Y155	I103-A108 HydrophobicContact CG2-CB 4.24Å; S104-A108 PolarHBondContact O-N 2.87Å; P105-A108 PolarHBondContact O-N 3.16Å; A108-L111 PolarHBondContact O-N 2.71Å; A108-S112 WeakPolarHBondContact O-CB 3.39Å; A108-S112 PolarHBondContact O-N 3.29Å; A108-S112 PolarHBondContact O-OG 3.43Å; A108-W117 HydrophobicContact CB-CD2 4.02Å; A108-W117 HydrophobicContact CB-CE3 4.09Å; A108-W117 HydrophobicContact CB-CH2 3.83Å; A108-W117 HydrophobicContact CB-CZ2 3.74Å; A108-W117 HydrophobicContact CB-CZ3 4.01Å; A108-Y155 HydrophobicContact CB-CD2 4.48Å; A108-Y155 HydrophobicContact CB-CE2 4.31Å
109	T	95.5	Very high	94.3	Very high	98 Å²	98	32.3 Å²	32.3	60%	0.601	20%	0.197	S	C	*	.	H	α-helix	trans	-64.5	-46.3	174.5	-57.9	0	0	0	0	111.3	P105 G106 S107 S112 G113	P105-T109 WeakPolarHBondContact O-CB 3.35Å; P105-T109 PolarHBondContact O-N 2.99Å; P105-T109 PolarHBondContact O-OG1 3.44Å; G106-T109 WeakPolarHBondContact O-CB 3.34Å; G106-T109 PolarHBondContact O-N 3.49Å; S107-T109 VanDerWaalsContact C-N 3.26Å; S107-T109 PolarHBondContact O-N 2.66Å; T109-S112 WeakPolarHBondContact O-CB 3.35Å; T109-S112 PolarHBondContact O-N 2.71Å; T109-G113 PolarHBondContact O-N 2.7Å
110	L	96.4	Very high	94.7	Very high	23 Å²	23	26.7 Å²	26.7	12%	0.12	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-49.6	173.3	175.7	71.2	0	0	0	111.3	G106 S107 S112 G113 I114 F397 V400 A401	G106-L110 PolarHBondContact O-N 3.29Å; S107-L110 PolarHBondContact O-N 3.02Å; L110-S112 PolarHBondContact O-N 2.86Å; L110-G113 WeakPolarHBondContact O-CA 3.47Å; L110-G113 PolarHBondContact O-N 2.87Å; L110-I114 PolarHBondContact O-N 2.86Å; L110-F397 HydrophobicContact CD2-CB 3.62Å; L110-F397 HydrophobicContact CD2-CD1 3.87Å; L110-F397 HydrophobicContact CD2-CG 4.01Å; L110-F397 WeakPolarHBondContact CD2-O 3.16Å; L110-V400 HydrophobicContact CD1-CG1 4.21Å; L110-V400 HydrophobicContact CD2-CB 3.98Å; L110-V400 HydrophobicContact CD2-CG1 4.01Å; L110-A401 HydrophobicContact CD1-CB 4.22Å
111	L	97.7	Very high	94.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-32.6	179.4	-70.1	171.6	0	0	0	111.9	I103 S107 A108 I114 G115 A116 W117 I120 I166 F397	I103-L111 HydrophobicContact CG2-CD1 4.06Å; S107-L111 WeakPolarHBondContact O-CB 3.43Å; S107-L111 VanDerWaalsContact O-CG 3.28Å; S107-L111 WeakPolarHBondContact O-CG 3.48Å; S107-L111 PolarHBondContact O-N 3.25Å; A108-L111 PolarHBondContact O-N 2.71Å; L111-I114 HydrophobicContact CD2-CD1 4.11Å; L111-I114 WeakPolarHBondContact O-CG1 3.46Å; L111-G115 PolarHBondContact O-N 2.55Å; L111-A116 HydrophobicContact CD2-CB 4.4Å; L111-A116 PolarHBondContact O-N 2.88Å; L111-W117 HydrophobicContact CB-CB 4.11Å; L111-W117 HydrophobicContact CB-CE3 4.11Å; L111-W117 HydrophobicContact CD1-CE3 3.96Å; L111-W117 HydrophobicContact CD1-CZ3 4.17Å; L111-W117 PolarHBondContact O-N 3.11Å; L111-I120 HydrophobicContact CD1-CD1 3.92Å; L111-I166 HydrophobicContact CD2-CD1 3.97Å; L111-I166 HydrophobicContact CD2-CG1 4.2Å; L111-F397 HydrophobicContact CD1-CE2 4.2Å; L111-F397 HydrophobicContact CD1-CZ 4.46Å; L111-F397 HydrophobicContact CD2-CE1 4.24Å; L111-F397 HydrophobicContact CD2-CE2 4.47Å; L111-F397 HydrophobicContact CD2-CZ 4Å
112	S	96.9	Very high	94.9	Very high	60 Å²	60	36.8 Å²	36.8	42%	0.42	22%	0.217	S	C	.	.	H	α-helix	trans	-70.8	-43.4	173.2	-60.6	0	0	0	0	111.2	A108 T109 L110 I114 G115 W117	A108-S112 WeakPolarHBondContact O-CB 3.39Å; A108-S112 PolarHBondContact O-N 3.29Å; A108-S112 PolarHBondContact O-OG 3.43Å; T109-S112 WeakPolarHBondContact O-CB 3.35Å; T109-S112 PolarHBondContact O-N 2.71Å; L110-S112 PolarHBondContact O-N 2.86Å; S112-I114 PolarHBondContact O-N 2.84Å; S112-G115 PolarHBondContact O-N 2.78Å; S112-W117 WeakPolarHBondContact OG-CB 3.45Å; S112-W117 VanDerWaalsContact OG-CG 3.29Å
113	G	95.1	Very high	94.9	Very high	58 Å²	58	39.1 Å²	39.1	60%	0.598	23%	0.228	S	C	*	.	H	α-helix	trans	-59.5	-33.8	175.8	0	0	0	0	0	112.9	T109 L110	T109-G113 PolarHBondContact O-N 2.7Å; L110-G113 WeakPolarHBondContact O-CA 3.47Å; L110-G113 PolarHBondContact O-N 2.87Å
114	I	95.4	Very high	95	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.7	171.8	69.7	168.5	0	0	0	113.9	A62 C65 M69 L110 L111 S112 A116 I166 Q169	A62-I114 HydrophobicContact CB-CD1 4.04Å; C65-I114 HydrophobicContact CB-CB 3.93Å; C65-I114 HydrophobicContact CB-CD1 4.11Å; C65-I114 HydrophobicContact CB-CG2 4.06Å; M69-I114 VanDerWaalsContact CE-C 3.47Å; M69-I114 WeakPolarHBondContact CE-O 3.4Å; M69-I114 VanDerWaalsContact SD-CA 3.56Å; M69-I114 HydrophobicContact SD-CB 4.32Å; L110-I114 PolarHBondContact O-N 2.86Å; L111-I114 HydrophobicContact CD2-CD1 4.11Å; L111-I114 WeakPolarHBondContact O-CG1 3.46Å; S112-I114 PolarHBondContact O-N 2.84Å; I114-A116 HydrophobicContact CD1-CB 4.19Å; I114-A116 HydrophobicContact CG1-CB 4.05Å; I114-A116 PolarHBondContact O-N 2.92Å; I114-I166 HydrophobicContact CD1-CG1 4.14Å; I114-I166 HydrophobicContact CD1-CG2 4.43Å; I114-Q169 WeakPolarHBondContact O-CG 3.4Å
115	G	94.9	Very high	95.1	Very high	31 Å²	31	43 Å²	43	32%	0.32	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	4.8	177.3	0	0	0	0	0	116.4	L111 S112	L111-G115 PolarHBondContact O-N 2.55Å; S112-G115 PolarHBondContact O-N 2.78Å
116	A	96.5	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.			trans	-82.9	-27.8	-179.3	0	0	0	0	0	113.1	L111 I114 E118 Q119 I120 A165 I166	L111-A116 HydrophobicContact CD2-CB 4.4Å; L111-A116 PolarHBondContact O-N 2.88Å; I114-A116 HydrophobicContact CD1-CB 4.19Å; I114-A116 HydrophobicContact CG1-CB 4.05Å; I114-A116 PolarHBondContact O-N 2.92Å; A116-E118 PolarHBondContact O-N 2.85Å; A116-Q119 PolarHBondContact O-N 3.14Å; A116-I120 WeakPolarHBondContact O-CG1 3.4Å; A116-I120 PolarHBondContact O-N 3.26Å; A116-I120 VanDerWaalsContact O-N 3.14Å; A116-A165 HydrophobicContact CB-CB 4.17Å; A116-I166 HydrophobicContact CB-CG1 3.96Å
117	W	97	Very high	95.4	Very high	31 Å²	31	43.7 Å²	43.7	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-42.1	-171.2	-172.9	-117.9	0	0	0	114.1	I103 A108 L111 S112 Q119 I120 T121 Y155	I103-W117 HydrophobicContact CB-CZ3 4.43Å; I103-W117 HydrophobicContact CG2-CH2 4.25Å; I103-W117 HydrophobicContact CG2-CZ3 3.89Å; A108-W117 HydrophobicContact CB-CD2 4.02Å; A108-W117 HydrophobicContact CB-CE3 4.09Å; A108-W117 HydrophobicContact CB-CH2 3.83Å; A108-W117 HydrophobicContact CB-CZ2 3.74Å; A108-W117 HydrophobicContact CB-CZ3 4.01Å; L111-W117 HydrophobicContact CB-CB 4.11Å; L111-W117 HydrophobicContact CB-CE3 4.11Å; L111-W117 HydrophobicContact CD1-CE3 3.96Å; L111-W117 HydrophobicContact CD1-CZ3 4.17Å; L111-W117 PolarHBondContact O-N 3.11Å; S112-W117 WeakPolarHBondContact OG-CB 3.45Å; S112-W117 VanDerWaalsContact OG-CG 3.29Å; W117-Q119 PolarHBondContact O-N 2.87Å; W117-I120 HydrophobicContact CE3-CB 4.29Å; W117-I120 HydrophobicContact CE3-CD1 4.05Å; W117-I120 HydrophobicContact CE3-CG2 4.24Å; W117-I120 HydrophobicContact CZ3-CD1 4.46Å; W117-I120 HydrophobicContact CZ3-CG2 4.05Å; W117-I120 WeakPolarHBondContact O-CB 3.4Å; W117-I120 PolarHBondContact O-N 3.12Å; W117-I120 VanDerWaalsContact O-N 3.09Å; W117-T121 HydrophobicContact CD2-CG2 4.22Å; W117-T121 HydrophobicContact CG-CG2 4.48Å; W117-T121 HydrophobicContact CZ2-CG2 4.01Å; W117-T121 PolarHBondContact O-N 2.84Å; W117-T121 PolarHBondContact O-OG1 2.82Å; W117-Y155 HydrophobicContact CH2-CD1 4.03Å; W117-Y155 AromaticContact CH2-CD2 3.6Å; W117-Y155 HydrophobicContact CH2-CD2 3.6Å; W117-Y155 HydrophobicContact CH2-CE2 4.19Å; W117-Y155 AromaticContact CH2-CG 3.53Å; W117-Y155 HydrophobicContact CH2-CG 3.53Å; W117-Y155 AromaticContact CZ2-CD1 3.82Å; W117-Y155 HydrophobicContact CZ2-CD1 3.82Å; W117-Y155 AromaticContact CZ2-CD2 3.69Å; W117-Y155 HydrophobicContact CZ2-CD2 3.69Å; W117-Y155 AromaticContact CZ2-CE1 3.91Å; W117-Y155 HydrophobicContact CZ2-CE1 3.91Å; W117-Y155 AromaticContact CZ2-CE2 3.81Å; W117-Y155 HydrophobicContact CZ2-CE2 3.81Å; W117-Y155 AromaticContact CZ2-CG 3.71Å; W117-Y155 HydrophobicContact CZ2-CG 3.71Å; W117-Y155 AromaticContact CZ2-CZ 3.92Å
118	E	94.3	Very high	95.2	Very high	111 Å²	111	43.7 Å²	43.7	52%	0.519	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-34.7	178.9	-174.9	178.6	-157.4	0	0	112.1	A116 T121 R122	A116-E118 PolarHBondContact O-N 2.85Å; E118-T121 PolarHBondContact O-OG1 2.79Å; E118-T121 VanDerWaalsContact O-OG1 3.06Å; E118-R122 VanDerWaalsContact CD-NH2 3.26Å; E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 WeakPolarHBondContact O-CG 3.4Å; E118-R122 PolarHBondContact O-N 2.85Å; E118-R122 VanDerWaalsContact O-N 3.12Å; E118-R122 IonicContact OE1-CZ 3.67Å; E118-R122 VanDerWaalsContact OE1-CZ 3.29Å; E118-R122 IonicContact OE1-NE 3.31Å; E118-R122 IonicContact OE1-NH2 3.31Å; E118-R122 PolarHBondContact OE1-NH2 2.74Å; E118-R122 IonicContact OE2-NH2 2.66Å
119	Q	93.7	Very high	94.8	Very high	43 Å²	43	46.5 Å²	46.5	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-70.9	-39.3	175.6	-62	-176.6	-2.6	0	0	111.3	A116 W117 R122 M123 A165	A116-Q119 PolarHBondContact O-N 3.14Å; W117-Q119 PolarHBondContact O-N 2.87Å; Q119-R122 PolarHBondContact O-N 2.79Å; Q119-M123 HydrophobicContact CB-CE 4.19Å; Q119-M123 WeakPolarHBondContact O-CB 3.29Å; Q119-M123 WeakPolarHBondContact O-CE 3.45Å; Q119-M123 VanDerWaalsContact O-CG 3.32Å; Q119-M123 WeakPolarHBondContact O-CG 3.31Å; Q119-M123 PolarHBondContact O-N 3.01Å; Q119-A165 HydrophobicContact CB-CB 4.08Å; Q119-A165 PolarHBondContact OE1-O 3.48Å
120	I	96.5	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-49.4	176.1	-68.6	167.7	0	0	0	110.5	L111 A116 W117 R122 M123 R124 C125 V157 I161 V162 A165	L111-I120 HydrophobicContact CD1-CD1 3.92Å; A116-I120 WeakPolarHBondContact O-CG1 3.4Å; A116-I120 PolarHBondContact O-N 3.26Å; A116-I120 VanDerWaalsContact O-N 3.14Å; W117-I120 HydrophobicContact CE3-CB 4.29Å; W117-I120 HydrophobicContact CE3-CD1 4.05Å; W117-I120 HydrophobicContact CE3-CG2 4.24Å; W117-I120 HydrophobicContact CZ3-CD1 4.46Å; W117-I120 HydrophobicContact CZ3-CG2 4.05Å; W117-I120 WeakPolarHBondContact O-CB 3.4Å; W117-I120 PolarHBondContact O-N 3.12Å; W117-I120 VanDerWaalsContact O-N 3.09Å; I120-R122 PolarHBondContact O-N 3.44Å; I120-M123 PolarHBondContact O-N 3.44Å; I120-R124 CarbonylContact O-C 3.55Å; I120-R124 PolarHBondContact O-N 2.58Å; I120-C125 HydrophobicContact CG2-CB 4.47Å; I120-V157 HydrophobicContact CG2-CB 4.45Å; I120-V157 HydrophobicContact CG2-CG1 3.54Å; I120-V157 HydrophobicContact CG2-CG2 3.99Å; I120-I161 HydrophobicContact CB-CG2 4.45Å; I120-I161 HydrophobicContact CG1-CG2 4.32Å; I120-I161 HydrophobicContact CG2-CG2 4.26Å; I120-V162 HydrophobicContact CD1-CG1 4.48Å; I120-V162 HydrophobicContact CD1-CG2 4.36Å; I120-A165 HydrophobicContact CD1-CB 4.18Å; I120-A165 HydrophobicContact CG1-CB 3.55Å
121	T	95.1	Very high	93.8	Very high	60 Å²	60	44.7 Å²	44.7	37%	0.368	24%	0.236	S	C	.	.	H	α-helix	trans	-67.2	-34.8	-178.3	57.7	0	0	0	0	112.7	W117 E118	W117-T121 HydrophobicContact CD2-CG2 4.22Å; W117-T121 HydrophobicContact CG-CG2 4.48Å; W117-T121 HydrophobicContact CZ2-CG2 4.01Å; W117-T121 PolarHBondContact O-N 2.84Å; W117-T121 PolarHBondContact O-OG1 2.82Å; E118-T121 PolarHBondContact O-OG1 2.79Å; E118-T121 VanDerWaalsContact O-OG1 3.06Å
122	R	94.1	Very high	93.3	Very high	183 Å²	183	44.9 Å²	44.9	69%	0.691	24%	0.237	S	C	*	.	H	α-helix	trans	-69.5	-32.1	172.9	-73.8	173.6	-176.7	180	0.7	113.4	E118 Q119 I120	E118-R122 VanDerWaalsContact CD-NH2 3.26Å; E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 WeakPolarHBondContact O-CG 3.4Å; E118-R122 PolarHBondContact O-N 2.85Å; E118-R122 VanDerWaalsContact O-N 3.12Å; E118-R122 IonicContact OE1-CZ 3.67Å; E118-R122 VanDerWaalsContact OE1-CZ 3.29Å; E118-R122 IonicContact OE1-NE 3.31Å; E118-R122 IonicContact OE1-NH2 3.31Å; E118-R122 PolarHBondContact OE1-NH2 2.74Å; E118-R122 IonicContact OE2-NH2 2.66Å; Q119-R122 PolarHBondContact O-N 2.79Å; I120-R122 PolarHBondContact O-N 3.44Å
123	M	94.3	Very high	92.7	Very high	49 Å²	49	42.6 Å²	42.6	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-76.1	-71	179.4	-81.4	-171.1	-76.5	0	0	111.2	M89 V92 Q119 I120 I161 A165	M89-M123 HydrophobicContact CE-SD 3.99Å; V92-M123 HydrophobicContact CG2-CB 3.6Å; V92-M123 HydrophobicContact CG2-CG 3.69Å; V92-M123 HydrophobicContact CG2-SD 4.15Å; Q119-M123 HydrophobicContact CB-CE 4.19Å; Q119-M123 WeakPolarHBondContact O-CB 3.29Å; Q119-M123 WeakPolarHBondContact O-CE 3.45Å; Q119-M123 VanDerWaalsContact O-CG 3.32Å; Q119-M123 WeakPolarHBondContact O-CG 3.31Å; Q119-M123 PolarHBondContact O-N 3.01Å; I120-M123 PolarHBondContact O-N 3.44Å; M123-I161 HydrophobicContact CB-CD1 4.47Å; M123-I161 HydrophobicContact CB-CG2 3.89Å; M123-I161 HydrophobicContact CE-CG2 3.59Å; M123-I161 HydrophobicContact SD-CG2 4.09Å; M123-A165 HydrophobicContact CE-CB 3.74Å
124	R	94.8	Very high	92.2	Very high	50 Å²	50	40.1 Å²	40.1	19%	0.189	19%	0.193	C	C	.	.			trans	-172.2	124.8	177.1	-154.8	175.3	-66.1	159.6	-9.8	110.7	P93 Y96 I120 E158 I161	P93-R124 VanDerWaalsContact O-CZ 3.29Å; P93-R124 PolarHBondContact O-NH1 3.02Å; P93-R124 PolarHBondContact O-NH2 2.77Å; Y96-R124 HydrophobicContact CE1-CG 4.27Å; I120-R124 CarbonylContact O-C 3.55Å; I120-R124 PolarHBondContact O-N 2.58Å; R124-E158 WeakPolarHBondContact CD-OE1 3.2Å; R124-E158 IonicContact CZ-OE1 2.73Å; R124-E158 IonicContact NE-OE1 3.05Å; R124-E158 IonicContact NH1-OE1 3.92Å; R124-E158 PolarHBondContact NH1-OE1 3.29Å; R124-I161 HydrophobicContact CB-CD1 3.51Å
125	C	94.8	Very high	91.6	Very high	34 Å²	34	40 Å²	40	23%	0.23	19%	0.193	C	C	.	.			trans	-150.8	149.9	167.1	65.2	0	0	0	0	109.4	I120 V157	I120-C125 HydrophobicContact CG2-CB 4.47Å; C125-V157 HydrophobicContact CB-CG2 3.9Å
126	K	95.4	Very high	90.7	Very high	31 Å²	31	38.6 Å²	38.6	14%	0.135	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.3	171	-176.8	64.2	177.5	-175.6	0	109.7	I156 E257 N258 P275 L276 D278	K126-I156 PolarHBondContact N-O 3.4Å; K126-I156 PolarHBondContact O-N 3.31Å; K126-E257 WeakPolarHBondContact CE-O 3.43Å; K126-E257 PolarHBondContact NZ-O 3.22Å; K126-N258 WeakPolarHBondContact CE-O 3.34Å; K126-P275 HydrophobicContact CG-CB 3.91Å; K126-P275 HydrophobicContact CG-CG 4.42Å; K126-L276 WeakPolarHBondContact CB-O 3.26Å; K126-D278 IonicContact NZ-OD1 3.58Å; K126-D278 PolarHBondContact NZ-OD1 3.31Å
127	P	94.1	Very high	89.6	Confident	41 Å²	41	39.1 Å²	39.1	27%	0.266	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	151	170.9	30.1	-34.4	0	0	0	110.7	E152 A154 Y155	P127-E152 HydrophobicContact CB-CB 4.35Å; P127-E152 HydrophobicContact CB-CG 3.8Å; P127-E152 WeakPolarHBondContact CB-OE2 3.41Å; P127-A154 WeakPolarHBondContact CA-O 3.35Å; P127-Y155 HydrophobicContact CB-CD1 3.75Å; P127-Y155 HydrophobicContact CB-CE1 3.86Å
128	Y	90.3	Very high	88.2	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.2	170	73.2	-91.3	0	0	0	110.4	S102 R130 M131 M153 A154 I156 N259 A261 P275	S102-Y128 WeakPolarHBondContact OG-CE1 3.4Å; S102-Y128 PolarHBondContact OG-OH 3.04Å; Y128-R130 WeakPolarHBondContact CD2-O 3.35Å; Y128-M131 HydrophobicContact CE2-CB 4.49Å; Y128-M153 HydrophobicContact CD2-CB 4.18Å; Y128-M153 HydrophobicContact CD2-SD 4.26Å; Y128-M153 HydrophobicContact CE2-CB 4.04Å; Y128-M153 HydrophobicContact CE2-CG 3.96Å; Y128-M153 HydrophobicContact CE2-SD 3.54Å; Y128-M153 VanDerWaalsContact CE2-SD 3.54Å; Y128-M153 WeakPolarHBondContact O-CA 3.33Å; Y128-M153 VanDerWaalsContact O-CB 3.26Å; Y128-M153 WeakPolarHBondContact O-CB 3.47Å; Y128-M153 PolarHBondContact O-N 2.97Å; Y128-A154 HydrophobicContact CD1-CB 4.4Å; Y128-A154 WeakPolarHBondContact CD1-O 3.41Å; Y128-A154 HydrophobicContact CE1-CB 3.54Å; Y128-A154 PolarHBondContact N-O 3.49Å; Y128-A154 PolarHBondContact O-N 3.35Å; Y128-I156 HydrophobicContact CD1-CD1 4.04Å; Y128-I156 HydrophobicContact CD1-CG1 3.97Å; Y128-I156 HydrophobicContact CE1-CD1 3.66Å; Y128-I156 HydrophobicContact CE1-CG1 4.13Å; Y128-N259 WeakPolarHBondContact CB-O 3.44Å; Y128-A261 HydrophobicContact CD2-CB 3.82Å; Y128-A261 HydrophobicContact CE2-CB 3.65Å; Y128-A261 HydrophobicContact CG-CB 4.35Å; Y128-P275 HydrophobicContact CD1-CG 4.32Å; Y128-P275 HydrophobicContact CG-CG 4.22Å
129	K	87.3	Confident	86.7	Confident	66 Å²	66	36 Å²	36	29%	0.287	17%	0.171	S	C	.	.			trans	-108.2	-21.2	-170.3	-65.3	-173.1	174.7	-162.9	0	113.4	L149 E152 N259	K129-L149 PolarHBondContact NZ-O 2.93Å; K129-E152 WeakPolarHBondContact CE-OE1 3.32Å; K129-E152 WeakPolarHBondContact CE-OE2 3.14Å; K129-E152 WeakPolarHBondContact CG-OE2 3.49Å; K129-E152 IonicContact NZ-OE1 2.74Å; K129-N259 PolarHBondContact N-O 2.92Å
130	R	85.6	Confident	85.3	Confident	53 Å²	53	34 Å²	34	20%	0.2	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.1	-172.7	-175.7	174.9	-45	113.7	17.2	111.2	Y128 Q132 T143 F144 D145 N259 V260 A261	Y128-R130 WeakPolarHBondContact CD2-O 3.35Å; R130-Q132 HydrophobicContact CG-CG 4.4Å; R130-T143 HydrophobicContact CG-CG2 3.85Å; R130-F144 WeakPolarHBondContact CA-O 3.42Å; R130-F144 WeakPolarHBondContact CG-O 3.45Å; R130-D145 VanDerWaalsContact CB-OD1 3.28Å; R130-D145 WeakPolarHBondContact CB-OD1 3.49Å; R130-D145 VanDerWaalsContact CD-OD1 3.25Å; R130-D145 WeakPolarHBondContact CD-OD1 3.31Å; R130-D145 WeakPolarHBondContact CG-OD1 3.07Å; R130-D145 IonicContact CZ-OD1 3.2Å; R130-D145 IonicContact NE-OD1 3.95Å; R130-D145 PolarHBondContact NE-OD1 3.14Å; R130-D145 IonicContact NE-OD2 2.79Å; R130-D145 IonicContact NH2-OD1 2.92Å; R130-N259 PolarHBondContact N-O 2.98Å; R130-V260 HydrophobicContact CB-CB 4.48Å; R130-V260 HydrophobicContact CB-CG1 4.19Å; R130-V260 HydrophobicContact CB-CG2 4.13Å; R130-V260 HydrophobicContact CG-CG1 4.08Å; R130-V260 HydrophobicContact CG-CG2 4.48Å; R130-V260 CarbonylContact O-C 3.52Å; R130-V260 VanDerWaalsContact O-CA 3.31Å; R130-V260 WeakPolarHBondContact O-CA 3.45Å; R130-A261 PolarHBondContact O-N 3.48Å
131	M	86.4	Confident	84.1	Confident	30 Å²	30	35 Å²	35	15%	0.148	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.6	167.4	-176.3	164.1	66.2	0	0	109.7	Y128 V133 T143 F144 M153 A261 A389	Y128-M131 HydrophobicContact CE2-CB 4.49Å; M131-V133 HydrophobicContact CE-CG2 4.43Å; M131-V133 HydrophobicContact CG-CG2 3.94Å; M131-V133 HydrophobicContact SD-CG2 4.46Å; M131-T143 CarbonylContact O-C 3.58Å; M131-T143 WeakPolarHBondContact O-CA 3.34Å; M131-F144 HydrophobicContact CB-CB 4.32Å; M131-F144 HydrophobicContact CB-CD2 4.38Å; M131-F144 HydrophobicContact CE-CD2 3.69Å; M131-F144 HydrophobicContact CE-CE2 4.03Å; M131-F144 PolarHBondContact N-O 2.74Å; M131-F144 PolarHBondContact O-N 2.91Å; M131-M153 HydrophobicContact CB-CE 4.24Å; M131-M153 HydrophobicContact CB-SD 3.76Å; M131-A261 CarbonylContact C-O 3.58Å; M131-A261 VanDerWaalsContact CA-O 3.27Å; M131-A261 WeakPolarHBondContact CA-O 3.37Å; M131-A261 HydrophobicContact CB-CB 4.33Å; M131-A261 HydrophobicContact CG-CB 4.14Å; M131-A389 HydrophobicContact SD-CB 4.28Å
132	Q	86.3	Confident	82.9	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.019	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.8	175.5	-81.7	179.2	74.3	0	0	109.7	R130 W134 L141 T143 V260 A261 W262 Q263 Q344	R130-Q132 HydrophobicContact CG-CG 4.4Å; Q132-W134 HydrophobicContact CB-CE3 4.49Å; Q132-W134 HydrophobicContact CB-CZ3 4.46Å; Q132-W134 WeakPolarHBondContact O-CZ3 3.32Å; Q132-L141 HydrophobicContact CB-CD1 4.31Å; Q132-L141 HydrophobicContact CG-CD1 4.43Å; Q132-T143 HydrophobicContact CG-CG2 3.81Å; Q132-V260 HydrophobicContact CB-CG1 4.36Å; Q132-V260 HydrophobicContact CG-CG1 4.36Å; Q132-A261 PolarHBondContact N-O 3.47Å; Q132-W262 HydrophobicContact CB-CE3 3.83Å; Q132-W262 HydrophobicContact CB-CZ3 3.92Å; Q132-W262 HydrophobicContact CG-CZ3 4.25Å; Q132-Q263 PolarHBondContact O-N 3.29Å; Q132-Q344 VanDerWaalsContact OE1-N 3.11Å; Q132-Q344 PolarHBondContact OE1-O 3.05Å
133	V	84.1	Confident	81.8	Confident	11 Å²	11	24.4 Å²	24.4	7%	0.067	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.5	-177.8	-172.2	0	0	0	0	108.8	M131 L141 I142 F144 Q263 F265	M131-V133 HydrophobicContact CE-CG2 4.43Å; M131-V133 HydrophobicContact CG-CG2 3.94Å; M131-V133 HydrophobicContact SD-CG2 4.46Å; V133-L141 CarbonylContact O-C 3.52Å; V133-L141 WeakPolarHBondContact O-CA 3.49Å; V133-I142 PolarHBondContact N-O 3.26Å; V133-I142 PolarHBondContact O-N 2.88Å; V133-F144 HydrophobicContact CG2-CD2 4.44Å; V133-F144 HydrophobicContact CG2-CE2 4.23Å; V133-Q263 CarbonylContact C-O 3.52Å; V133-Q263 WeakPolarHBondContact CA-O 3.22Å; V133-Q263 HydrophobicContact CG1-CB 4.39Å; V133-Q263 HydrophobicContact CG2-CB 4.26Å; V133-F265 HydrophobicContact CG1-CD2 3.92Å; V133-F265 HydrophobicContact CG1-CE2 3.48Å; V133-F265 VanDerWaalsContact CG1-CE2 3.48Å
134	W	84.8	Confident	80.7	Confident	6 Å²	6	23.2 Å²	23.2	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.8	179.3	69.7	101.5	0	0	0	113.5	Q132 A140 L141 W262 Q263 R264 F265 F311 R343 P346	Q132-W134 HydrophobicContact CB-CE3 4.49Å; Q132-W134 HydrophobicContact CB-CZ3 4.46Å; Q132-W134 WeakPolarHBondContact O-CZ3 3.32Å; W134-A140 VanDerWaalsContact CA-O 3.24Å; W134-A140 WeakPolarHBondContact CA-O 3.24Å; W134-A140 WeakPolarHBondContact CB-O 3.39Å; W134-L141 HydrophobicContact CB-CB 4.46Å; W134-L141 HydrophobicContact CB-CD1 3.89Å; W134-W262 HydrophobicContact CH2-CB 4.07Å; W134-W262 HydrophobicContact CH2-CE3 4.15Å; W134-W262 HydrophobicContact CZ3-CB 4.04Å; W134-W262 AromaticContact CZ3-CE3 3.87Å; W134-W262 HydrophobicContact CZ3-CE3 3.87Å; W134-Q263 VanDerWaalsContact CE3-O 3.22Å; W134-Q263 PolarHBondContact N-O 3.43Å; W134-R264 HydrophobicContact CD2-CB 4.13Å; W134-R264 HydrophobicContact CD2-CG 4.24Å; W134-R264 HydrophobicContact CG-CG 4.34Å; W134-R264 HydrophobicContact CH2-CB 4.22Å; W134-R264 HydrophobicContact CZ2-CB 3.72Å; W134-R264 HydrophobicContact CZ2-CG 4.11Å; W134-R264 VanDerWaalsContact NE1-CG 3.34Å; W134-R264 CarbonylContact O-C 3.56Å; W134-R264 WeakPolarHBondContact O-CA 3.24Å; W134-F265 PolarHBondContact O-N 2.72Å; W134-F311 AromaticContact CH2-CD1 3.86Å; W134-F311 HydrophobicContact CH2-CD1 3.86Å; W134-F311 HydrophobicContact CH2-CE1 4.22Å; W134-F311 AromaticContact CZ2-CD1 3.89Å; W134-F311 HydrophobicContact CZ2-CD1 3.89Å; W134-R343 VanDerWaalsContact CD1-NH1 3.34Å; W134-R343 VanDerWaalsContact NE1-NH1 3.18Å; W134-P346 HydrophobicContact CH2-CB 4.36Å; W134-P346 HydrophobicContact CH2-CG 4.04Å; W134-P346 HydrophobicContact CZ2-CG 4.17Å
135	D	82.7	Confident	79.5	Confident	3 Å²	3	22.7 Å²	22.7	2%	0.016	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.2	176.7	-170.2	24.6	0	0	0	111.5	S138 A140 Y448 R459 L463	D135-S138 VanDerWaalsContact O-O 3.11Å; D135-S138 PolarHBondContact OD2-OG 3.41Å; D135-A140 HydrophobicContact CB-CB 4.41Å; D135-A140 PolarHBondContact N-O 2.8Å; D135-Y448 HydrophobicContact CB-CE1 4.34Å; D135-R459 IonicContact OD1-CZ 3.31Å; D135-R459 VanDerWaalsContact OD1-CZ 3.31Å; D135-R459 IonicContact OD1-NE 3.9Å; D135-R459 IonicContact OD1-NH2 3.51Å; D135-R459 PolarHBondContact OD1-NH2 2.95Å; D135-R459 IonicContact OD2-CZ 3.82Å; D135-R459 IonicContact OD2-NE 3.74Å; D135-R459 PolarHBondContact OD2-NE 3.18Å; D135-R459 IonicContact OD2-NH2 2.74Å; D135-R459 PolarHBondContact OD2-NH2 3.45Å; D135-L463 HydrophobicContact CB-CD1 4.47Å
136	A	77.4	Confident	78	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-84	-23.8	174.9	0	0	0	0	0	113.5	F265 L266 N316	A136-F265 WeakPolarHBondContact CB-O 3.44Å; A136-F265 PolarHBondContact N-O 2.94Å; A136-L266 HydrophobicContact CB-CD2 3.88Å; A136-N316 HydrophobicContact CB-CB 4.4Å
137	C	72.1	Confident	76	Confident	11 Å²	11	29.7 Å²	29.7	7%	0.074	15%	0.145	C	C	.	.	S	Bend	trans	-97.3	-1.7	-176.5	-56	0	0	0	0	114.1	N316 V456 R459	C137-N316 WeakPolarHBondContact CA-O 3.37Å; C137-V456 HydrophobicContact CB-CG1 3.86Å; C137-R459 VanDerWaalsContact CB-NH2 3.33Å; C137-R459 PolarHBondContact SG-NH2 3.45Å; C137-R459 VanDerWaalsContact SG-NH2 3.39Å
138	S	67.3	Low	74.1	Confident	5 Å²	5	33.4 Å²	33.4	4%	0.035	16%	0.163	C	C	.	.	S	Bend	trans	-152.4	168.6	178.6	74.3	0	0	0	0	111.3	D135 A140 T460	D135-S138 VanDerWaalsContact O-O 3.11Å; D135-S138 PolarHBondContact OD2-OG 3.41Å; S138-A140 PolarHBondContact O-N 3.44Å; S138-A140 VanDerWaalsContact O-N 3.15Å; S138-A140 VanDerWaalsContact OG-CB 3.25Å; S138-A140 WeakPolarHBondContact OG-CB 3.43Å; S138-A140 PolarHBondContact OG-N 3.14Å; S138-T460 WeakPolarHBondContact CB-OG1 3.31Å; S138-T460 PolarHBondContact OG-OG1 3.02Å
139	D	64.9	Low	72.2	Confident	73 Å²	73	39.6 Å²	39.6	39%	0.39	20%	0.196	S	C	.	.	S	Bend	trans	-77.1	12.7	174.7	-55.7	-38.8	0	0	0	113.3	L141 Q317 R329	D139-L141 PolarHBondContact O-N 3.47Å; D139-Q317 PolarHBondContact OD1-NE2 2.94Å; D139-Q317 VanDerWaalsContact OD1-NE2 3.09Å; D139-R329 IonicContact OD2-CZ 3.5Å; D139-R329 IonicContact OD2-NH1 2.81Å; D139-R329 PolarHBondContact OD2-NH1 3.31Å; D139-R329 IonicContact OD2-NH2 3.28Å; D139-R329 PolarHBondContact OD2-NH2 2.84Å
140	A	64.3	Low	70.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.			trans	-69.7	120.6	-177	0	0	0	0	0	110.3	W134 D135 S138 T460 L463	W134-A140 VanDerWaalsContact CA-O 3.24Å; W134-A140 WeakPolarHBondContact CA-O 3.24Å; W134-A140 WeakPolarHBondContact CB-O 3.39Å; D135-A140 HydrophobicContact CB-CB 4.41Å; D135-A140 PolarHBondContact N-O 2.8Å; S138-A140 PolarHBondContact O-N 3.44Å; S138-A140 VanDerWaalsContact O-N 3.15Å; S138-A140 VanDerWaalsContact OG-CB 3.25Å; S138-A140 WeakPolarHBondContact OG-CB 3.43Å; S138-A140 PolarHBondContact OG-N 3.14Å; A140-T460 HydrophobicContact CB-CG2 4.19Å; A140-L463 HydrophobicContact CB-CB 3.86Å; A140-L463 HydrophobicContact CB-CD1 3.33Å; A140-L463 HydrophobicContact CB-CG 4.21Å
141	L	70.1	Confident	69.9	Low	21 Å²	21	45.3 Å²	45.3	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.1	178.3	173.3	68.9	0	0	0	107.4	Q132 V133 W134 D139 R343 N467	Q132-L141 HydrophobicContact CB-CD1 4.31Å; Q132-L141 HydrophobicContact CG-CD1 4.43Å; V133-L141 CarbonylContact O-C 3.52Å; V133-L141 WeakPolarHBondContact O-CA 3.49Å; W134-L141 HydrophobicContact CB-CB 4.46Å; W134-L141 HydrophobicContact CB-CD1 3.89Å; D139-L141 PolarHBondContact O-N 3.47Å; L141-R343 HydrophobicContact CD1-CG 4.25Å; L141-R343 HydrophobicContact CD2-CB 3.79Å; L141-R343 HydrophobicContact CD2-CG 3.94Å; L141-N467 PolarHBondContact O-ND2 2.83Å
142	I	70	Confident	69.7	Low	11 Å²	11	46 Å²	46	6%	0.056	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.9	157.1	-71.8	177.7	0	0	0	108.1	V133 F144 L463 T466 N467	V133-I142 PolarHBondContact N-O 3.26Å; V133-I142 PolarHBondContact O-N 2.88Å; I142-F144 HydrophobicContact CB-CE2 4.42Å; I142-F144 HydrophobicContact CG2-CD1 4.26Å; I142-F144 HydrophobicContact CG2-CD2 3.79Å; I142-F144 HydrophobicContact CG2-CE1 3.91Å; I142-F144 HydrophobicContact CG2-CE2 3.39Å; I142-F144 HydrophobicContact CG2-CG 4.22Å; I142-F144 HydrophobicContact CG2-CZ 3.47Å; I142-F144 VanDerWaalsContact CG2-CZ 3.47Å; I142-L463 HydrophobicContact CB-CD2 4.38Å; I142-L463 HydrophobicContact CD1-CB 4.27Å; I142-L463 HydrophobicContact CD1-CD2 3.15Å; I142-L463 HydrophobicContact CD1-CG 4.27Å; I142-L463 HydrophobicContact CG1-CB 4.12Å; I142-L463 HydrophobicContact CG1-CD2 3.53Å; I142-L463 HydrophobicContact CG1-CG 4.4Å; I142-T466 HydrophobicContact CD1-CG2 3.93Å; I142-N467 VanDerWaalsContact CA-OD1 3.31Å; I142-N467 WeakPolarHBondContact CA-OD1 3.37Å
143	T	71.8	Confident	69.6	Low	10 Å²	10	46.9 Å²	46.9	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.6	170.5	-56.6	0	0	0	0	107.7	R130 M131 Q132 D145 K473	R130-T143 HydrophobicContact CG-CG2 3.85Å; M131-T143 CarbonylContact O-C 3.58Å; M131-T143 WeakPolarHBondContact O-CA 3.34Å; Q132-T143 HydrophobicContact CG-CG2 3.81Å; T143-D145 WeakPolarHBondContact CG2-OD2 3.23Å; T143-K473 WeakPolarHBondContact O-CE 3.48Å; T143-K473 PolarHBondContact O-NZ 3.36Å
144	F	70	Confident	69.9	Low	23 Å²	23	46.5 Å²	46.5	10%	0.101	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.2	166.5	-60.6	-78.8	0	0	0	108.6	R130 M131 V133 I142 M153 K473 I476 M477	R130-F144 WeakPolarHBondContact CA-O 3.42Å; R130-F144 WeakPolarHBondContact CG-O 3.45Å; M131-F144 HydrophobicContact CB-CB 4.32Å; M131-F144 HydrophobicContact CB-CD2 4.38Å; M131-F144 HydrophobicContact CE-CD2 3.69Å; M131-F144 HydrophobicContact CE-CE2 4.03Å; M131-F144 PolarHBondContact N-O 2.74Å; M131-F144 PolarHBondContact O-N 2.91Å; V133-F144 HydrophobicContact CG2-CD2 4.44Å; V133-F144 HydrophobicContact CG2-CE2 4.23Å; I142-F144 HydrophobicContact CB-CE2 4.42Å; I142-F144 HydrophobicContact CG2-CD1 4.26Å; I142-F144 HydrophobicContact CG2-CD2 3.79Å; I142-F144 HydrophobicContact CG2-CE1 3.91Å; I142-F144 HydrophobicContact CG2-CE2 3.39Å; I142-F144 HydrophobicContact CG2-CG 4.22Å; I142-F144 HydrophobicContact CG2-CZ 3.47Å; I142-F144 VanDerWaalsContact CG2-CZ 3.47Å; F144-M153 HydrophobicContact CB-CE 3.6Å; F144-M153 HydrophobicContact CB-SD 4.47Å; F144-M153 WeakPolarHBondContact O-CE 3.31Å; F144-K473 HydrophobicContact CD1-CG 3.88Å; F144-K473 HydrophobicContact CE1-CG 4.13Å; F144-I476 HydrophobicContact CE1-CG2 4.03Å; F144-I476 HydrophobicContact CZ-CG2 4.29Å; F144-M477 HydrophobicContact CB-CG 4.4Å; F144-M477 HydrophobicContact CB-SD 3.97Å; F144-M477 HydrophobicContact CD1-CG 3.62Å; F144-M477 HydrophobicContact CD1-SD 3.89Å; F144-M477 HydrophobicContact CE1-CG 4.34Å; F144-M477 HydrophobicContact CG-CG 4.36Å; F144-M477 HydrophobicContact CG-SD 4.42Å
145	D	71	Confident	70.4	Confident	40 Å²	40	48.7 Å²	48.7	21%	0.214	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.9	175.7	-81.7	-51.3	0	0	0	106.1	R130 T143	R130-D145 VanDerWaalsContact CB-OD1 3.28Å; R130-D145 WeakPolarHBondContact CB-OD1 3.49Å; R130-D145 VanDerWaalsContact CD-OD1 3.25Å; R130-D145 WeakPolarHBondContact CD-OD1 3.31Å; R130-D145 WeakPolarHBondContact CG-OD1 3.07Å; R130-D145 IonicContact CZ-OD1 3.2Å; R130-D145 IonicContact NE-OD1 3.95Å; R130-D145 PolarHBondContact NE-OD1 3.14Å; R130-D145 IonicContact NE-OD2 2.79Å; R130-D145 IonicContact NH2-OD1 2.92Å; T143-D145 WeakPolarHBondContact CG2-OD2 3.23Å
146	K	62.3	Low	71	Confident	54 Å²	54	48.7 Å²	48.7	24%	0.235	25%	0.247	C	C	.	.			trans	-79.1	134.7	165.7	-78.8	-172.6	168.7	-177.8	0	108.5	D148 D151 E152 M477	K146-D148 PolarHBondContact O-N 3.17Å; K146-D151 HydrophobicContact CD-CB 3.44Å; K146-D151 VanDerWaalsContact CD-CB 3.44Å; K146-D151 IonicContact NZ-OD2 3.46Å; K146-D151 PolarHBondContact NZ-OD2 2.7Å; K146-E152 PolarHBondContact NZ-O 3.41Å; K146-M477 HydrophobicContact CB-CE 4.47Å; K146-M477 HydrophobicContact CG-CE 3.55Å
147	E	53.8	Low	71.8	Confident	157 Å²	157	48.8 Å²	48.8	73%	0.734	25%	0.247	S	C	*	.	S	Bend	trans	-62.4	-33.1	179	-62.1	-169.4	156	0	0	111.7	L149	E147-L149 PolarHBondContact O-N 2.88Å
148	D	53.2	Low	72.9	Confident	119 Å²	119	48.8 Å²	48.8	64%	0.636	25%	0.246	S	C	*	.	S	Bend	trans	-84.8	101.5	167.1	-84	-40	0	0	0	110.8	K146 L150 D151	K146-D148 PolarHBondContact O-N 3.17Å; D148-L150 PolarHBondContact O-N 3.29Å; D148-D151 PolarHBondContact O-N 3Å; D148-D151 VanDerWaalsContact O-N 3.15Å
149	L	50.8	Low	74.2	Confident	135 Å²	135	49.5 Å²	49.5	71%	0.707	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-4.6	179	-68.5	166.2	0	0	0	115.2	K129 E147	K129-L149 PolarHBondContact NZ-O 2.93Å; E147-L149 PolarHBondContact O-N 2.88Å
150	L	54.5	Low	75.5	Confident	149 Å²	149	49.7 Å²	49.7	78%	0.78	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-25.1	179.7	-67.7	173.3	0	0	0	113.1	D148	D148-L150 PolarHBondContact O-N 3.29Å
151	D	69.7	Low	77	Confident	89 Å²	89	49.7 Å²	49.7	48%	0.476	25%	0.25	S	S	.	.	S	Bend	trans	-90.8	130.8	-172.2	-101.8	21.6	0	0	0	111.9	K146 D148	K146-D151 HydrophobicContact CD-CB 3.44Å; K146-D151 VanDerWaalsContact CD-CB 3.44Å; K146-D151 IonicContact NZ-OD2 3.46Å; K146-D151 PolarHBondContact NZ-OD2 2.7Å; D148-D151 PolarHBondContact O-N 3Å; D148-D151 VanDerWaalsContact O-N 3.15Å
152	E	82.5	Confident	78.3	Confident	44 Å²	44	48.7 Å²	48.7	21%	0.206	25%	0.245	C	C	.	.			trans	-71.3	143	173.6	-55.8	-56.5	161.4	0	0	111.1	P127 K129 K146 Y155	P127-E152 HydrophobicContact CB-CB 4.35Å; P127-E152 HydrophobicContact CB-CG 3.8Å; P127-E152 WeakPolarHBondContact CB-OE2 3.41Å; K129-E152 WeakPolarHBondContact CE-OE1 3.32Å; K129-E152 WeakPolarHBondContact CE-OE2 3.14Å; K129-E152 WeakPolarHBondContact CG-OE2 3.49Å; K129-E152 IonicContact NZ-OE1 2.74Å; K146-E152 PolarHBondContact NZ-O 3.41Å; E152-Y155 HydrophobicContact CB-CE1 4.22Å; E152-Y155 HydrophobicContact CB-CE2 4.3Å; E152-Y155 HydrophobicContact CG-CE1 4.08Å
153	M	84.2	Confident	79.5	Confident	23 Å²	23	48.5 Å²	48.5	11%	0.113	25%	0.245	C	C	.	.	S	Bend	trans	-77.5	-48.2	175.1	-176.8	-179.4	-67.5	0	0	110.3	P105 Y128 M131 F144 M477	P105-M153 VanDerWaalsContact CD-O 3.23Å; P105-M153 WeakPolarHBondContact CD-O 3.48Å; P105-M153 WeakPolarHBondContact CG-O 3.37Å; Y128-M153 HydrophobicContact CD2-CB 4.18Å; Y128-M153 HydrophobicContact CD2-SD 4.26Å; Y128-M153 HydrophobicContact CE2-CB 4.04Å; Y128-M153 HydrophobicContact CE2-CG 3.96Å; Y128-M153 HydrophobicContact CE2-SD 3.54Å; Y128-M153 VanDerWaalsContact CE2-SD 3.54Å; Y128-M153 WeakPolarHBondContact O-CA 3.33Å; Y128-M153 VanDerWaalsContact O-CB 3.26Å; Y128-M153 WeakPolarHBondContact O-CB 3.47Å; Y128-M153 PolarHBondContact O-N 2.97Å; M131-M153 HydrophobicContact CB-CE 4.24Å; M131-M153 HydrophobicContact CB-SD 3.76Å; F144-M153 HydrophobicContact CB-CE 3.6Å; F144-M153 HydrophobicContact CB-SD 4.47Å; F144-M153 WeakPolarHBondContact O-CE 3.31Å; M153-M477 HydrophobicContact CE-CE 4.08Å
154	A	90.9	Very high	80.6	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	178.7	174.9	0	0	0	0	0	109.8	S102 I103 P127 Y128	S102-A154 WeakPolarHBondContact OG-CB 3.41Å; I103-A154 WeakPolarHBondContact O-CA 3.34Å; I103-A154 VanDerWaalsContact O-CB 3.23Å; I103-A154 WeakPolarHBondContact O-CB 3.3Å; P127-A154 WeakPolarHBondContact CA-O 3.35Å; Y128-A154 HydrophobicContact CD1-CB 4.4Å; Y128-A154 WeakPolarHBondContact CD1-O 3.41Å; Y128-A154 HydrophobicContact CE1-CB 3.54Å; Y128-A154 PolarHBondContact N-O 3.49Å; Y128-A154 PolarHBondContact O-N 3.35Å
155	Y	94.3	Very high	81.8	Confident	52 Å²	52	47.4 Å²	47.4	20%	0.204	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.9	-176.7	-53.6	-98.1	0	0	0	109.8	I103 A108 W117 P127 E152 V157	I103-Y155 PolarHBondContact N-O 2.63Å; I103-Y155 PolarHBondContact O-N 2.64Å; A108-Y155 HydrophobicContact CB-CD2 4.48Å; A108-Y155 HydrophobicContact CB-CE2 4.31Å; W117-Y155 HydrophobicContact CH2-CD1 4.03Å; W117-Y155 AromaticContact CH2-CD2 3.6Å; W117-Y155 HydrophobicContact CH2-CD2 3.6Å; W117-Y155 HydrophobicContact CH2-CE2 4.19Å; W117-Y155 AromaticContact CH2-CG 3.53Å; W117-Y155 HydrophobicContact CH2-CG 3.53Å; W117-Y155 AromaticContact CZ2-CD1 3.82Å; W117-Y155 HydrophobicContact CZ2-CD1 3.82Å; W117-Y155 AromaticContact CZ2-CD2 3.69Å; W117-Y155 HydrophobicContact CZ2-CD2 3.69Å; W117-Y155 AromaticContact CZ2-CE1 3.91Å; W117-Y155 HydrophobicContact CZ2-CE1 3.91Å; W117-Y155 AromaticContact CZ2-CE2 3.81Å; W117-Y155 HydrophobicContact CZ2-CE2 3.81Å; W117-Y155 AromaticContact CZ2-CG 3.71Å; W117-Y155 HydrophobicContact CZ2-CG 3.71Å; W117-Y155 AromaticContact CZ2-CZ 3.92Å; P127-Y155 HydrophobicContact CB-CD1 3.75Å; P127-Y155 HydrophobicContact CB-CE1 3.86Å; E152-Y155 HydrophobicContact CB-CE1 4.22Å; E152-Y155 HydrophobicContact CB-CE2 4.3Å; E152-Y155 HydrophobicContact CG-CE1 4.08Å; Y155-V157 PolarHBondContact O-N 2.7Å
156	I	95.1	Very high	83	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.1	169.9	-53.6	-54.9	0	0	0	108.4	V100 S101 K126 Y128 L274 P275 L276	V100-I156 HydrophobicContact CB-CG2 3.84Å; V100-I156 HydrophobicContact CG1-CG2 4.37Å; V100-I156 HydrophobicContact CG2-CG2 3.82Å; S101-I156 WeakPolarHBondContact O-CA 3.36Å; K126-I156 PolarHBondContact N-O 3.4Å; K126-I156 PolarHBondContact O-N 3.31Å; Y128-I156 HydrophobicContact CD1-CD1 4.04Å; Y128-I156 HydrophobicContact CD1-CG1 3.97Å; Y128-I156 HydrophobicContact CE1-CD1 3.66Å; Y128-I156 HydrophobicContact CE1-CG1 4.13Å; I156-L274 HydrophobicContact CD1-CB 4.03Å; I156-L274 HydrophobicContact CD1-CD1 4.24Å; I156-L274 HydrophobicContact CG1-CB 4.17Å; I156-P275 VanDerWaalsContact CB-O 3.23Å; I156-P275 WeakPolarHBondContact CB-O 3.3Å; I156-P275 HydrophobicContact CG1-CG 4.22Å; I156-P275 VanDerWaalsContact CG1-O 3.31Å; I156-P275 WeakPolarHBondContact CG1-O 3.23Å; I156-L276 HydrophobicContact CG2-CD2 3.57Å
157	V	95.7	Very high	84.6	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.4	-177.7	-170.1	0	0	0	0	109.7	V100 S101 I103 I120 C125 Y155 I161 V162	V100-V157 CarbonylContact C-O 3.55Å; V100-V157 VanDerWaalsContact CA-O 3.31Å; V100-V157 WeakPolarHBondContact CA-O 3.45Å; S101-V157 PolarHBondContact N-O 3.26Å; S101-V157 PolarHBondContact O-N 3.21Å; I103-V157 HydrophobicContact CG1-CB 4.09Å; I103-V157 HydrophobicContact CG1-CG2 3.78Å; I120-V157 HydrophobicContact CG2-CB 4.45Å; I120-V157 HydrophobicContact CG2-CG1 3.54Å; I120-V157 HydrophobicContact CG2-CG2 3.99Å; C125-V157 HydrophobicContact CB-CG2 3.9Å; Y155-V157 PolarHBondContact O-N 2.7Å; V157-I161 HydrophobicContact CG1-CB 4.21Å; V157-I161 HydrophobicContact CG1-CG2 4.04Å; V157-V162 HydrophobicContact CB-CG2 4.1Å; V157-V162 HydrophobicContact CG1-CG2 3.6Å
158	E	94.7	Very high	86.5	Confident	10 Å²	10	43 Å²	43	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.5	172.7	-57	177.5	-125.8	0	0	110.4	Y96 S97 V100 R124 D160 I161 V162	Y96-E158 HydrophobicContact CD1-CG 4.28Å; Y96-E158 WeakPolarHBondContact CD1-OE1 3.46Å; S97-E158 VanDerWaalsContact CB-OE2 3.26Å; S97-E158 WeakPolarHBondContact CB-OE2 3.36Å; S97-E158 PolarHBondContact N-OE2 3.47Å; V100-E158 HydrophobicContact CG1-CG 4.22Å; R124-E158 WeakPolarHBondContact CD-OE1 3.2Å; R124-E158 IonicContact CZ-OE1 2.73Å; R124-E158 IonicContact NE-OE1 3.05Å; R124-E158 IonicContact NH1-OE1 3.92Å; R124-E158 PolarHBondContact NH1-OE1 3.29Å; E158-D160 PolarHBondContact O-N 3.3Å; E158-I161 HydrophobicContact CB-CB 4.32Å; E158-I161 HydrophobicContact CB-CD1 3.88Å; E158-I161 HydrophobicContact CB-CG1 3.98Å; E158-I161 HydrophobicContact CG-CD1 4.1Å; E158-I161 WeakPolarHBondContact O-CB 3.32Å; E158-I161 PolarHBondContact O-N 3.46Å; E158-V162 PolarHBondContact O-N 2.99Å
159	N	94.1	Very high	88.5	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-34.1	-175.4	-68.9	3.2	0	0	0	111.9	M58 R99 V100 S101 I161 V162 V163	M58-N159 HydrophobicContact CE-CB 4.31Å; M58-N159 HydrophobicContact SD-CB 4.2Å; R99-N159 HydrophobicContact CB-CB 4.39Å; R99-N159 WeakPolarHBondContact O-CB 3.3Å; R99-N159 VanDerWaalsContact O-CG 3.27Å; R99-N159 PolarHBondContact O-N 3.07Å; R99-N159 PolarHBondContact O-OD1 3.29Å; V100-N159 VanDerWaalsContact C-OD1 3.26Å; S101-N159 WeakPolarHBondContact CB-OD1 3.37Å; S101-N159 PolarHBondContact N-OD1 3.03Å; S101-N159 VanDerWaalsContact N-OD1 3.17Å; S101-N159 PolarHBondContact OG-OD1 2.97Å; N159-I161 VanDerWaalsContact C-N 3.32Å; N159-I161 PolarHBondContact O-N 2.92Å; N159-V162 PolarHBondContact O-N 3.07Å; N159-V163 WeakPolarHBondContact O-CG2 3.41Å; N159-V163 PolarHBondContact O-N 3.5Å
160	D	93.6	Very high	90.6	Very high	76 Å²	76	32.8 Å²	32.8	41%	0.406	16%	0.159	S	C	.	.	H	α-helix	trans	-68.6	-30.9	178.4	-61.9	-45.9	0	0	0	112.3	S97 E158 A164	S97-D160 PolarHBondContact OG-OD2 3.08Å; E158-D160 PolarHBondContact O-N 3.3Å; D160-A164 VanDerWaalsContact O-CB 3.22Å; D160-A164 WeakPolarHBondContact O-CB 3.45Å; D160-A164 PolarHBondContact O-N 3.49Å
161	I	95.9	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-46.1	172.1	-67.6	177.1	0	0	0	110.4	M89 V92 I120 M123 R124 V157 E158 N159 V163 A164 A165	M89-I161 VanDerWaalsContact CE-CA 3.41Å; M89-I161 HydrophobicContact CE-CB 4.04Å; M89-I161 HydrophobicContact CE-CG1 3.51Å; V92-I161 HydrophobicContact CG1-CD1 3.96Å; V92-I161 HydrophobicContact CG1-CG1 4.47Å; I120-I161 HydrophobicContact CB-CG2 4.45Å; I120-I161 HydrophobicContact CG1-CG2 4.32Å; I120-I161 HydrophobicContact CG2-CG2 4.26Å; M123-I161 HydrophobicContact CB-CD1 4.47Å; M123-I161 HydrophobicContact CB-CG2 3.89Å; M123-I161 HydrophobicContact CE-CG2 3.59Å; M123-I161 HydrophobicContact SD-CG2 4.09Å; R124-I161 HydrophobicContact CB-CD1 3.51Å; V157-I161 HydrophobicContact CG1-CB 4.21Å; V157-I161 HydrophobicContact CG1-CG2 4.04Å; E158-I161 HydrophobicContact CB-CB 4.32Å; E158-I161 HydrophobicContact CB-CD1 3.88Å; E158-I161 HydrophobicContact CB-CG1 3.98Å; E158-I161 HydrophobicContact CG-CD1 4.1Å; E158-I161 WeakPolarHBondContact O-CB 3.32Å; E158-I161 PolarHBondContact O-N 3.46Å; N159-I161 VanDerWaalsContact C-N 3.32Å; N159-I161 PolarHBondContact O-N 2.92Å; I161-V163 PolarHBondContact O-N 3.29Å; I161-A164 PolarHBondContact O-N 3.39Å; I161-A165 WeakPolarHBondContact O-CB 3.4Å; I161-A165 PolarHBondContact O-N 3.25Å
162	V	96.1	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-48.9	177.3	-179.1	0	0	0	0	110.6	M58 I120 V157 E158 N159 A164 A165 I166 F397	M58-V162 HydrophobicContact CB-CG1 4.46Å; M58-V162 HydrophobicContact CG-CB 4.33Å; M58-V162 HydrophobicContact CG-CG1 3.97Å; M58-V162 HydrophobicContact SD-CB 3.88Å; M58-V162 HydrophobicContact SD-CG1 3.82Å; M58-V162 HydrophobicContact SD-CG2 4.47Å; I120-V162 HydrophobicContact CD1-CG1 4.48Å; I120-V162 HydrophobicContact CD1-CG2 4.36Å; V157-V162 HydrophobicContact CB-CG2 4.1Å; V157-V162 HydrophobicContact CG1-CG2 3.6Å; E158-V162 PolarHBondContact O-N 2.99Å; N159-V162 PolarHBondContact O-N 3.07Å; V162-A164 PolarHBondContact O-N 3.13Å; V162-A165 PolarHBondContact O-N 3.38Å; V162-I166 HydrophobicContact CG1-CD1 3.81Å; V162-I166 WeakPolarHBondContact O-CD1 3.2Å; V162-I166 VanDerWaalsContact O-CG1 3.28Å; V162-I166 WeakPolarHBondContact O-CG1 3.48Å; V162-I166 PolarHBondContact O-N 3.11Å; V162-I166 VanDerWaalsContact O-N 3.13Å; V162-F397 HydrophobicContact CG1-CZ 4.04Å
163	V	94.8	Very high	93.8	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-41.1	179.8	-178.6	0	0	0	0	111.6	M58 K87 N159 I161 I166 T167	M58-V163 HydrophobicContact CB-CG2 4.42Å; M58-V163 HydrophobicContact CG-CG2 3.32Å; M58-V163 HydrophobicContact SD-CG2 4.45Å; K87-V163 HydrophobicContact CB-CG1 4.11Å; K87-V163 HydrophobicContact CD-CB 4.43Å; K87-V163 HydrophobicContact CD-CG1 3.79Å; K87-V163 HydrophobicContact CG-CG1 4.36Å; N159-V163 WeakPolarHBondContact O-CG2 3.41Å; N159-V163 PolarHBondContact O-N 3.5Å; I161-V163 PolarHBondContact O-N 3.29Å; V163-I166 PolarHBondContact O-N 2.88Å; V163-T167 VanDerWaalsContact O-CB 3.27Å; V163-T167 WeakPolarHBondContact O-CB 3.49Å; V163-T167 PolarHBondContact O-N 3.04Å; V163-T167 PolarHBondContact O-OG1 3.35Å
164	A	94.8	Very high	93.8	Very high	10 Å²	10	30.9 Å²	30.9	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-41.8	179.3	0	0	0	0	0	112.5	M89 D160 I161 V162 T167 R168	M89-A164 HydrophobicContact CB-CB 3.59Å; M89-A164 HydrophobicContact CE-CB 3.64Å; D160-A164 VanDerWaalsContact O-CB 3.22Å; D160-A164 WeakPolarHBondContact O-CB 3.45Å; D160-A164 PolarHBondContact O-N 3.49Å; I161-A164 PolarHBondContact O-N 3.39Å; V162-A164 PolarHBondContact O-N 3.13Å; A164-T167 PolarHBondContact O-N 2.8Å; A164-R168 WeakPolarHBondContact O-CB 3.49Å; A164-R168 PolarHBondContact O-N 2.87Å
165	A	96.1	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-47.7	176.3	0	0	0	0	0	111.7	A116 Q119 I120 M123 I161 V162 T167 R168 Q169	A116-A165 HydrophobicContact CB-CB 4.17Å; Q119-A165 HydrophobicContact CB-CB 4.08Å; Q119-A165 PolarHBondContact OE1-O 3.48Å; I120-A165 HydrophobicContact CD1-CB 4.18Å; I120-A165 HydrophobicContact CG1-CB 3.55Å; M123-A165 HydrophobicContact CE-CB 3.74Å; I161-A165 WeakPolarHBondContact O-CB 3.4Å; I161-A165 PolarHBondContact O-N 3.25Å; V162-A165 PolarHBondContact O-N 3.38Å; A165-T167 VanDerWaalsContact C-N 3.34Å; A165-T167 PolarHBondContact O-N 3.49Å; A165-R168 PolarHBondContact O-N 3.07Å; A165-Q169 PolarHBondContact O-N 3.14Å
166	I	96.9	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-39.8	177.5	-59.8	165.2	0	0	0	110.5	S61 A62 L111 I114 A116 V162 V163 R168 Q169 L170	S61-I166 VanDerWaalsContact C-CG2 3.49Å; A62-I166 HydrophobicContact CB-CD1 4.17Å; L111-I166 HydrophobicContact CD2-CD1 3.97Å; L111-I166 HydrophobicContact CD2-CG1 4.2Å; I114-I166 HydrophobicContact CD1-CG1 4.14Å; I114-I166 HydrophobicContact CD1-CG2 4.43Å; A116-I166 HydrophobicContact CB-CG1 3.96Å; V162-I166 HydrophobicContact CG1-CD1 3.81Å; V162-I166 WeakPolarHBondContact O-CD1 3.2Å; V162-I166 VanDerWaalsContact O-CG1 3.28Å; V162-I166 WeakPolarHBondContact O-CG1 3.48Å; V162-I166 PolarHBondContact O-N 3.11Å; V162-I166 VanDerWaalsContact O-N 3.13Å; V163-I166 PolarHBondContact O-N 2.88Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.48Å; I166-Q169 WeakPolarHBondContact O-CB 3.5Å; I166-Q169 PolarHBondContact O-N 3.45Å; I166-Q169 VanDerWaalsContact O-N 3.11Å; I166-L170 PolarHBondContact O-N 3.36Å
167	T	95.1	Very high	93.7	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-42	177.5	-61	0	0	0	0	111.5	K86 K87 V163 A164 A165 Q169 L170 D171	K86-T167 HydrophobicContact CD-CG2 4.44Å; K86-T167 HydrophobicContact CG-CG2 3.8Å; K87-T167 WeakPolarHBondContact O-CB 3.2Å; K87-T167 WeakPolarHBondContact O-CG2 3.45Å; V163-T167 VanDerWaalsContact O-CB 3.27Å; V163-T167 WeakPolarHBondContact O-CB 3.49Å; V163-T167 PolarHBondContact O-N 3.04Å; V163-T167 PolarHBondContact O-OG1 3.35Å; A164-T167 PolarHBondContact O-N 2.8Å; A165-T167 VanDerWaalsContact C-N 3.34Å; A165-T167 PolarHBondContact O-N 3.49Å; T167-Q169 VanDerWaalsContact C-N 3.28Å; T167-Q169 PolarHBondContact O-N 2.95Å; T167-L170 WeakPolarHBondContact O-CB 3.34Å; T167-L170 PolarHBondContact O-N 3.27Å; T167-D171 PolarHBondContact O-N 3.42Å
168	R	93.8	Very high	93.7	Very high	153 Å²	153	42 Å²	42	58%	0.577	22%	0.22	S	C	*	.	H	α-helix	trans	-63.9	-36	175.2	-177	169.7	-178.1	120.4	3.9	111.7	A164 A165 I166 D171	A164-R168 WeakPolarHBondContact O-CB 3.49Å; A164-R168 PolarHBondContact O-N 2.87Å; A165-R168 PolarHBondContact O-N 3.07Å; I166-R168 VanDerWaalsContact C-N 3.32Å; I166-R168 PolarHBondContact O-N 3.48Å; R168-D171 PolarHBondContact O-N 2.74Å
169	Q	94.8	Very high	93.9	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-40.2	173.9	-172.6	65	34	0	0	112.4	M69 I114 A165 I166 T167 D171 A172 M173	M69-Q169 VanDerWaalsContact CE-CD 3.43Å; M69-Q169 HydrophobicContact CE-CG 3.69Å; I114-Q169 WeakPolarHBondContact O-CG 3.4Å; A165-Q169 PolarHBondContact O-N 3.14Å; I166-Q169 WeakPolarHBondContact O-CB 3.5Å; I166-Q169 PolarHBondContact O-N 3.45Å; I166-Q169 VanDerWaalsContact O-N 3.11Å; T167-Q169 VanDerWaalsContact C-N 3.28Å; T167-Q169 PolarHBondContact O-N 2.95Å; Q169-D171 PolarHBondContact O-N 2.79Å; Q169-A172 CarbonylContact O-C 3.37Å; Q169-A172 PolarHBondContact O-N 2.88Å; Q169-M173 HydrophobicContact CG-CE 3.77Å; Q169-M173 PolarHBondContact O-N 3.4Å
170	L	95.1	Very high	94	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-34.3	176	-73.5	169.5	0	0	0	112.2	A64 C65 L80 I166 T167 A172 M173 V177 V179	A64-L170 HydrophobicContact CB-CD2 3.74Å; C65-L170 WeakPolarHBondContact SG-CD2 3.38Å; C65-L170 VanDerWaalsContact SG-CG 3.53Å; L80-L170 HydrophobicContact CD2-CD1 3.75Å; I166-L170 PolarHBondContact O-N 3.36Å; T167-L170 WeakPolarHBondContact O-CB 3.34Å; T167-L170 PolarHBondContact O-N 3.27Å; L170-A172 PolarHBondContact O-N 2.81Å; L170-M173 HydrophobicContact CD2-CG 4.34Å; L170-M173 WeakPolarHBondContact O-CB 3.34Å; L170-M173 PolarHBondContact O-N 3.43Å; L170-V177 HydrophobicContact CD2-CG1 4.22Å; L170-V179 HydrophobicContact CB-CG2 4.17Å; L170-V179 HydrophobicContact CD1-CG2 4.16Å; L170-V179 HydrophobicContact CD2-CG2 4.22Å; L170-V179 HydrophobicContact CG-CG2 4.42Å
171	D	92.6	Very high	94.1	Very high	94 Å²	94	43.4 Å²	43.4	50%	0.503	22%	0.223	S	C	.	.	H	α-helix	trans	-67.7	-25.3	175.9	-67.2	-29.7	0	0	0	113.6	K86 T167 R168 Q169	K86-D171 VanDerWaalsContact CE-OD1 3.3Å; K86-D171 WeakPolarHBondContact CE-OD1 3.48Å; K86-D171 WeakPolarHBondContact CE-OD2 3.36Å; K86-D171 IonicContact NZ-OD1 3.92Å; K86-D171 PolarHBondContact NZ-OD1 2.94Å; K86-D171 IonicContact NZ-OD2 2.96Å; K86-D171 PolarHBondContact NZ-OD2 3.43Å; T167-D171 PolarHBondContact O-N 3.42Å; R168-D171 PolarHBondContact O-N 2.74Å; Q169-D171 PolarHBondContact O-N 2.79Å
172	A	91.6	Very high	94.1	Very high	72 Å²	72	50.1 Å²	50.1	60%	0.595	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	4.9	178	0	0	0	0	0	112.7	Q169 L170	Q169-A172 CarbonylContact O-C 3.37Å; Q169-A172 PolarHBondContact O-N 2.88Å; L170-A172 PolarHBondContact O-N 2.81Å
173	M	89.8	Confident	94.1	Very high	25 Å²	25	51 Å²	51	12%	0.123	26%	0.258	C	S	.	.	S	Bend	trans	-69.1	154.7	178.6	-78.6	-67.7	103.2	0	0	112.1	M69 Q169 L170 V177	M69-M173 HydrophobicContact CE-CE 3.26Å; M69-M173 HydrophobicContact CG-CE 3.55Å; M69-M173 HydrophobicContact CG-SD 3.93Å; M69-M173 HydrophobicContact SD-CE 4.2Å; Q169-M173 HydrophobicContact CG-CE 3.77Å; Q169-M173 PolarHBondContact O-N 3.4Å; L170-M173 HydrophobicContact CD2-CG 4.34Å; L170-M173 WeakPolarHBondContact O-CB 3.34Å; L170-M173 PolarHBondContact O-N 3.43Å; M173-V177 HydrophobicContact CB-CB 3.99Å; M173-V177 HydrophobicContact CB-CG2 4.31Å; M173-V177 HydrophobicContact CG-CB 4.34Å; M173-V177 HydrophobicContact CG-CG2 4.4Å; M173-V177 HydrophobicContact SD-CG2 4.49Å
174	P	83.8	Confident	94.1	Very high	74 Å²	74	57 Å²	57	48%	0.481	28%	0.283	S	S	.	.			trans	-62.9	162.3	171.3	-7.1	20.9	0	0	0	111.3	N176 V177	P174-N176 VanDerWaalsContact CB-OD1 3.32Å; P174-N176 WeakPolarHBondContact CB-OD1 3.39Å; P174-N176 PolarHBondContact O-N 3.14Å; P174-N176 PolarHBondContact O-OD1 3.29Å; P174-V177 PolarHBondContact O-N 2.92Å; P174-V177 VanDerWaalsContact O-N 3.07Å
175	E	88.2	Confident	94.1	Very high	189 Å²	189	56.8 Å²	56.8	88%	0.883	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.7	-176.1	-64.9	-172.2	168.8	0	0	114.7	V177	E175-V177 PolarHBondContact O-N 2.85Å
176	N	93.1	Very high	94.1	Very high	23 Å²	23	60.2 Å²	60.2	12%	0.123	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.1	177.3	72.9	-42.5	0	0	0	113	A74 K76 I78 P174	A74-N176 PolarHBondContact O-ND2 3.12Å; K76-N176 WeakPolarHBondContact O-CB 3.36Å; I78-N176 PolarHBondContact N-O 2.8Å; P174-N176 VanDerWaalsContact CB-OD1 3.32Å; P174-N176 WeakPolarHBondContact CB-OD1 3.39Å; P174-N176 PolarHBondContact O-N 3.14Å; P174-N176 PolarHBondContact O-OD1 3.29Å
177	V	97	Very high	94	Very high	14 Å²	14	66.1 Å²	66.1	9%	0.085	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.3	173.6	-174.7	0	0	0	0	110.1	A64 I78 L170 M173 P174 E175	A64-V177 HydrophobicContact CB-CG1 4.36Å; I78-V177 HydrophobicContact CB-CG2 4.32Å; I78-V177 HydrophobicContact CD1-CG2 4.16Å; I78-V177 HydrophobicContact CG2-CG1 4.5Å; I78-V177 WeakPolarHBondContact O-CA 3.35Å; L170-V177 HydrophobicContact CD2-CG1 4.22Å; M173-V177 HydrophobicContact CB-CB 3.99Å; M173-V177 HydrophobicContact CB-CG2 4.31Å; M173-V177 HydrophobicContact CG-CB 4.34Å; M173-V177 HydrophobicContact CG-CG2 4.4Å; M173-V177 HydrophobicContact SD-CG2 4.49Å; P174-V177 PolarHBondContact O-N 2.92Å; P174-V177 VanDerWaalsContact O-N 3.07Å; E175-V177 PolarHBondContact O-N 2.85Å
178	Q	96.9	Very high	94	Very high	70 Å²	70	66.6 Å²	66.6	33%	0.327	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.7	174.4	-64.7	177.6	9	0	0	110.1	Y49 I78 L79 L80	Y49-Q178 PolarHBondContact OH-OE1 2.91Å; I78-Q178 PolarHBondContact O-N 2.94Å; L79-Q178 CarbonylContact C-O 3.55Å; L79-Q178 WeakPolarHBondContact CA-O 3.36Å; L79-Q178 HydrophobicContact CD1-CB 3.92Å; L80-Q178 PolarHBondContact N-O 3.02Å
179	V	97.3	Very high	93.9	Very high	39 Å²	39	61.5 Å²	61.5	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.7	174.4	-170	0	0	0	0	109.5	L80 L170 Y181	L80-V179 HydrophobicContact CB-CG1 4.2Å; L80-V179 HydrophobicContact CB-CG2 4.23Å; L80-V179 HydrophobicContact CD2-CG1 3.96Å; L80-V179 HydrophobicContact CD2-CG2 4.26Å; L80-V179 HydrophobicContact CG-CG1 4.2Å; L80-V179 WeakPolarHBondContact O-CA 3.2Å; L170-V179 HydrophobicContact CB-CG2 4.17Å; L170-V179 HydrophobicContact CD1-CG2 4.16Å; L170-V179 HydrophobicContact CD2-CG2 4.22Å; L170-V179 HydrophobicContact CG-CG2 4.42Å; V179-Y181 HydrophobicContact CB-CE2 4.04Å; V179-Y181 HydrophobicContact CG1-CD1 4.45Å; V179-Y181 HydrophobicContact CG1-CD2 4.07Å; V179-Y181 HydrophobicContact CG1-CE1 3.93Å; V179-Y181 HydrophobicContact CG1-CE2 3.51Å; V179-Y181 VanDerWaalsContact CG1-CZ 3.43Å
180	K	96.4	Very high	93.7	Very high	43 Å²	43	63.1 Å²	63.1	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	106	173.4	-74.6	-176.6	176.2	-178	0	109.6	L79 L80 L81 E82 S183 E211	L79-K180 HydrophobicContact CD1-CB 4.31Å; L79-K180 HydrophobicContact CD1-CD 4.04Å; L79-K180 HydrophobicContact CD1-CG 3.87Å; L80-K180 PolarHBondContact O-N 2.87Å; L81-K180 HydrophobicContact CD2-CB 4Å; L81-K180 HydrophobicContact CD2-CD 4.29Å; E82-K180 PolarHBondContact N-O 3.28Å; K180-S183 WeakPolarHBondContact O-CB 3.42Å; K180-E211 IonicContact NZ-OE1 2.82Å; K180-E211 PolarHBondContact NZ-OE1 3.19Å; K180-E211 IonicContact NZ-OE2 3.91Å; K180-E211 PolarHBondContact NZ-OE2 3.06Å
181	Y	96.5	Very high	93.3	Very high	54 Å²	54	63.7 Å²	63.7	21%	0.212	32%	0.324	C	S	.	.	S	Bend	trans	-80.5	165.1	171.6	-63.2	-77.7	0	0	0	111.3	E82 K86 V179 S183	E82-Y181 HydrophobicContact CB-CD1 3.92Å; E82-Y181 HydrophobicContact CB-CE1 4.3Å; E82-Y181 HydrophobicContact CG-CD1 3.92Å; E82-Y181 HydrophobicContact CG-CE1 4.29Å; E82-Y181 CarbonylContact O-C 3.58Å; E82-Y181 VanDerWaalsContact O-C 3.29Å; E82-Y181 WeakPolarHBondContact O-CA 3.34Å; K86-Y181 HydrophobicContact CB-CD1 3.89Å; K86-Y181 HydrophobicContact CB-CD2 3.86Å; K86-Y181 HydrophobicContact CB-CE1 3.81Å; K86-Y181 HydrophobicContact CB-CE2 3.79Å; K86-Y181 HydrophobicContact CB-CG 3.91Å; K86-Y181 HydrophobicContact CD-CD2 4.4Å; K86-Y181 HydrophobicContact CD-CE2 3.79Å; K86-Y181 HydrophobicContact CG-CD2 4.32Å; K86-Y181 HydrophobicContact CG-CE1 4.04Å; K86-Y181 HydrophobicContact CG-CE2 3.74Å; V179-Y181 HydrophobicContact CB-CE2 4.04Å; V179-Y181 HydrophobicContact CG1-CD1 4.45Å; V179-Y181 HydrophobicContact CG1-CD2 4.07Å; V179-Y181 HydrophobicContact CG1-CE1 3.93Å; V179-Y181 HydrophobicContact CG1-CE2 3.51Å; V179-Y181 VanDerWaalsContact CG1-CZ 3.43Å; Y181-S183 PolarHBondContact O-N 3.34Å; Y181-S183 PolarHBondContact O-OG 3Å
182	K	95.9	Very high	92.2	Very high	140 Å²	140	66.4 Å²	66.4	61%	0.609	34%	0.336	S	S	*	.	S	Bend	trans	52.4	28	-177.1	-57	-179.9	178.9	-177.5	0	113.3	E82 A83 G84 H85	E82-K182 PolarHBondContact O-N 3.22Å; A83-K182 WeakPolarHBondContact O-CA 3.33Å; G84-K182 PolarHBondContact O-N 3.34Å; H85-K182 WeakPolarHBondContact CE1-CE 3.4Å; H85-K182 PolarHBondContact CE1-NZ 3.35Å; H85-K182 WeakPolarHBondContact ND1-CE 3.42Å
183	S	95.1	Very high	90.4	Very high	19 Å²	19	68.8 Å²	68.8	13%	0.133	35%	0.345	C	S	.	.			trans	-117.1	80.4	-170.5	-67.9	0	0	0	0	109.2	E82 K180 Y181 V185	E82-S183 PolarHBondContact O-N 3.45Å; K180-S183 WeakPolarHBondContact O-CB 3.42Å; Y181-S183 PolarHBondContact O-N 3.34Å; Y181-S183 PolarHBondContact O-OG 3Å; S183-V185 PolarHBondContact O-N 3.35Å
184	K	94.6	Very high	88.7	Confident	133 Å²	133	75.2 Å²	75.2	58%	0.578	37%	0.374	S	S	*	.			trans	-76.7	123	178.1	-175	173.6	-177.9	179	0	109.8	A83 L207 A208	A83-K184 HydrophobicContact CB-CB 4.11Å; A83-K184 HydrophobicContact CB-CG 4.39Å; K184-L207 CarbonylContact O-C 3.56Å; K184-L207 WeakPolarHBondContact O-CA 3.44Å; K184-A208 HydrophobicContact CB-CB 4.28Å; K184-A208 WeakPolarHBondContact O-CB 3.42Å; K184-A208 PolarHBondContact O-N 3.34Å
185	V	95.3	Very high	86.9	Confident	7 Å²	7	81.1 Å²	81.1	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.3	167.8	-176.4	0	0	0	0	109.1	L81 S183 Y188 V205 L207 M227	L81-V185 HydrophobicContact CB-CG2 4.5Å; L81-V185 HydrophobicContact CD1-CG2 3.59Å; S183-V185 PolarHBondContact O-N 3.35Å; V185-Y188 HydrophobicContact CG1-CD1 4.25Å; V185-Y188 HydrophobicContact CG1-CE1 3.62Å; V185-Y188 HydrophobicContact CG1-CE2 3.93Å; V185-Y188 VanDerWaalsContact CG1-CZ 3.41Å; V185-Y188 WeakPolarHBondContact CG1-OH 3.42Å; V185-V205 HydrophobicContact CB-CG1 4.27Å; V185-V205 HydrophobicContact CG1-CG1 3.56Å; V185-V205 HydrophobicContact CG2-CG1 3.66Å; V185-L207 HydrophobicContact CG2-CD2 3.8Å; V185-M227 HydrophobicContact CB-CE 3.78Å; V185-M227 HydrophobicContact CG1-CE 3.94Å; V185-M227 WeakPolarHBondContact O-CE 3.35Å
186	V	95.8	Very high	85.2	Confident	72 Å²	72	75 Å²	75	44%	0.436	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-19.7	178.6	-63.9	0	0	0	0	113.1	T206 A208	V186-T206 HydrophobicContact CG2-CG2 4.31Å; V186-T206 WeakPolarHBondContact CG2-O 3.28Å; V186-T206 PolarHBondContact N-O 3.05Å; V186-A208 HydrophobicContact CG1-CB 3.73Å
187	K	95.1	Very high	83.3	Confident	123 Å²	123	79.6 Å²	79.6	54%	0.535	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	142.2	-179.8	-175.9	179.7	178.6	178.5	0	111.8	T206	K187-T206 PolarHBondContact N-O 3.49Å; K187-T206 PolarHBondContact O-N 3.3Å
188	Y	94.6	Very high	81.2	Confident	14 Å²	14	87.3 Å²	87.3	6%	0.055	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.1	165.7	-56.5	-80.8	0	0	0	109.2	S54 V185 W190 K204 V205 L218 M227 V228 K231	S54-Y188 PolarHBondContact OG-OH 2.89Å; V185-Y188 HydrophobicContact CG1-CD1 4.25Å; V185-Y188 HydrophobicContact CG1-CE1 3.62Å; V185-Y188 HydrophobicContact CG1-CE2 3.93Å; V185-Y188 VanDerWaalsContact CG1-CZ 3.41Å; V185-Y188 WeakPolarHBondContact CG1-OH 3.42Å; Y188-W190 HydrophobicContact CD1-CH2 4.28Å; Y188-W190 HydrophobicContact CD2-CH2 4.17Å; Y188-W190 HydrophobicContact CD2-CZ2 4.38Å; Y188-W190 AromaticContact CG-CH2 3.74Å; Y188-W190 HydrophobicContact CG-CH2 3.74Å; Y188-W190 HydrophobicContact CG-CZ2 4.16Å; Y188-W190 HydrophobicContact CG-CZ3 4.33Å; Y188-K204 CarbonylContact C-O 3.59Å; Y188-K204 WeakPolarHBondContact CA-O 3.4Å; Y188-V205 HydrophobicContact CD1-CG1 4.35Å; Y188-V205 HydrophobicContact CD1-CG2 4.06Å; Y188-V205 HydrophobicContact CE1-CG1 4.04Å; Y188-V205 HydrophobicContact CE1-CG2 4.19Å; Y188-L218 HydrophobicContact CD1-CD2 3.61Å; Y188-L218 HydrophobicContact CE1-CD1 4.11Å; Y188-L218 HydrophobicContact CE1-CD2 3.58Å; Y188-L218 HydrophobicContact CG-CD2 4.48Å; Y188-M227 HydrophobicContact CD2-CG 4.45Å; Y188-M227 HydrophobicContact CE2-CB 4.41Å; Y188-M227 HydrophobicContact CE2-CE 3.62Å; Y188-M227 HydrophobicContact CE2-CG 3.9Å; Y188-M227 HydrophobicContact CE2-SD 4Å; Y188-V228 HydrophobicContact CE1-CG2 4.1Å; Y188-V228 HydrophobicContact CE2-CB 4.5Å; Y188-V228 HydrophobicContact CE2-CG2 3.82Å; Y188-V228 VanDerWaalsContact CZ-CG2 3.48Å; Y188-V228 VanDerWaalsContact OH-CG2 3.3Å; Y188-V228 WeakPolarHBondContact OH-CG2 3.49Å; Y188-K231 HydrophobicContact CD2-CB 4.3Å; Y188-K231 HydrophobicContact CD2-CG 4.27Å
189	T	92.6	Very high	79.3	Confident	46 Å²	46	87 Å²	87	28%	0.282	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.5	166.2	-51.2	0	0	0	0	108.2	I200 K204	T189-I200 HydrophobicContact CG2-CD1 3.97Å; T189-K204 PolarHBondContact N-O 2.79Å; T189-K204 PolarHBondContact O-N 3.34Å
190	W	91.2	Very high	77.5	Confident	65 Å²	65	87.2 Å²	87.2	25%	0.246	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-83.7	148	-176	-47.6	120.5	0	0	0	111.4	Y188 M192 V203 L218 V228 K231 L232 V375	Y188-W190 HydrophobicContact CD1-CH2 4.28Å; Y188-W190 HydrophobicContact CD2-CH2 4.17Å; Y188-W190 HydrophobicContact CD2-CZ2 4.38Å; Y188-W190 AromaticContact CG-CH2 3.74Å; Y188-W190 HydrophobicContact CG-CH2 3.74Å; Y188-W190 HydrophobicContact CG-CZ2 4.16Å; Y188-W190 HydrophobicContact CG-CZ3 4.33Å; W190-M192 PolarHBondContact O-N 3.26Å; W190-V203 HydrophobicContact CE3-CG1 3.91Å; W190-V203 HydrophobicContact CE3-CG2 4.44Å; W190-V203 HydrophobicContact CZ3-CG1 3.8Å; W190-L218 HydrophobicContact CH2-CD2 4.18Å; W190-L218 HydrophobicContact CZ3-CD2 3.88Å; W190-V228 HydrophobicContact CH2-CG1 4.25Å; W190-K231 HydrophobicContact CZ2-CB 3.75Å; W190-K231 PolarHBondContact NE1-O 3.38Å; W190-L232 HydrophobicContact CD2-CD2 3.53Å; W190-L232 HydrophobicContact CD2-CG 4.46Å; W190-L232 HydrophobicContact CE3-CD2 3.69Å; W190-L232 HydrophobicContact CG-CD2 4.22Å; W190-L232 HydrophobicContact CH2-CD1 4.22Å; W190-L232 HydrophobicContact CH2-CD2 3.66Å; W190-L232 HydrophobicContact CH2-CG 3.61Å; W190-L232 HydrophobicContact CZ2-CB 4.41Å; W190-L232 HydrophobicContact CZ2-CD2 3.48Å; W190-L232 VanDerWaalsContact CZ2-CD2 3.48Å; W190-L232 HydrophobicContact CZ2-CG 3.48Å; W190-L232 VanDerWaalsContact CZ2-CG 3.48Å; W190-L232 HydrophobicContact CZ3-CD2 3.76Å; W190-L232 HydrophobicContact CZ3-CG 4.16Å; W190-V375 HydrophobicContact CE3-CG2 4Å; W190-V375 HydrophobicContact CZ3-CG2 3.62Å
191	P	85.6	Confident	76.7	Confident	21 Å²	21	88.5 Å²	88.5	14%	0.136	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-62.3	132.6	173	27.6	-35.8	0	0	0	110.3	I200	P191-I200 WeakPolarHBondContact CA-O 3.32Å; P191-I200 WeakPolarHBondContact CB-O 3.46Å
192	M	69.8	Low	76.3	Confident	152 Å²	152	89.1 Å²	89.1	75%	0.749	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-91	137.2	172.9	-71.3	-166.6	174.5	0	0	110.2	W190	W190-M192 PolarHBondContact O-N 3.26Å
193	P	54.5	Low	76.3	Confident	121 Å²	121	82.5 Å²	82.5	79%	0.786	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.3	141.9	164	-16	29.3	0	0	0	109.2
194	H	53.9	Low	76.3	Confident	160 Å²	160	84.8 Å²	84.8	74%	0.741	45%	0.451	S	S	*	.	S	Bend	trans	-26.4	134.7	-173.3	-53.2	-26.2	0	0	0	115.8
195	H	45.9	Very low	76.3	Confident	199 Å²	199	78.4 Å²	78.4	92%	0.921	42%	0.424	S	S	*	.			trans	147.8	20.4	154.7	-75.3	-58.7	0	0	0	116.1
196	A	52	Low	76.4	Confident	59 Å²	59	79.4 Å²	79.4	49%	0.488	43%	0.43	S	S	.	.			trans	-124.4	136.7	164.2	0	0	0	0	0	109.7	E198 S199	A196-E198 PolarHBondContact O-N 3.42Å; A196-S199 WeakPolarHBondContact O-CB 3.46Å; A196-S199 PolarHBondContact O-N 3.36Å
197	A	53.3	Low	76.4	Confident	120 Å²	120	76.1 Å²	76.1	99%	0.992	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-9.8	172.5	0	0	0	0	0	113.1
198	E	53.6	Low	76.4	Confident	177 Å²	177	73.4 Å²	73.4	83%	0.827	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	26.3	173.9	-59	-173.8	168.6	0	0	113.3	A196 I200	A196-E198 PolarHBondContact O-N 3.42Å; E198-I200 PolarHBondContact O-N 2.97Å
199	S	55.9	Low	76.3	Confident	64 Å²	64	78.2 Å²	78.2	45%	0.448	44%	0.437	S	S	.	.			trans	-60.1	124.5	-178.8	74.7	0	0	0	0	111.6	A196 P201	A196-S199 WeakPolarHBondContact O-CB 3.46Å; A196-S199 PolarHBondContact O-N 3.36Å; S199-P201 VanDerWaalsContact O-CD 3.29Å; S199-P201 WeakPolarHBondContact O-CD 3.22Å
200	I	60.7	Low	76.3	Confident	42 Å²	42	78.5 Å²	78.5	22%	0.215	45%	0.45	C	S	.	.			trans	-84.8	111.5	173.7	-46.7	174.4	0	0	0	107	T189 P191 E198 W202 K204	T189-I200 HydrophobicContact CG2-CD1 3.97Å; P191-I200 WeakPolarHBondContact CA-O 3.32Å; P191-I200 WeakPolarHBondContact CB-O 3.46Å; E198-I200 PolarHBondContact O-N 2.97Å; I200-W202 WeakPolarHBondContact CG2-O 3.05Å; I200-W202 PolarHBondContact O-N 3Å; I200-K204 HydrophobicContact CD1-CB 4.46Å; I200-K204 HydrophobicContact CD1-CD 4.04Å; I200-K204 HydrophobicContact CG2-CB 4.48Å
201	P	77.8	Confident	76.5	Confident	70 Å²	70	78.4 Å²	78.4	46%	0.455	45%	0.452	S	S	.	.			trans	-70.8	-16.5	-176.8	28.1	-34.8	0	0	0	113.2	S199 R374	S199-P201 VanDerWaalsContact O-CD 3.29Å; S199-P201 WeakPolarHBondContact O-CD 3.22Å; P201-R374 PolarHBondContact O-NE 3.39Å
202	W	89.9	Confident	76.9	Confident	68 Å²	68	79 Å²	79	26%	0.258	46%	0.455	S	S	.	.	S	Bend	trans	-128.8	161.4	-169.3	-62.4	-31.8	0	0	0	111.3	V48 I200 K204 Q214 A215 K216	V48-W202 HydrophobicContact CB-CE3 4.38Å; V48-W202 HydrophobicContact CB-CZ3 4.03Å; V48-W202 HydrophobicContact CG1-CD2 4.23Å; V48-W202 HydrophobicContact CG1-CE3 3.49Å; V48-W202 VanDerWaalsContact CG1-CE3 3.49Å; V48-W202 HydrophobicContact CG1-CH2 3.88Å; V48-W202 HydrophobicContact CG1-CZ3 3.32Å; V48-W202 HydrophobicContact CG2-CE3 3.92Å; V48-W202 HydrophobicContact CG2-CH2 4.49Å; V48-W202 HydrophobicContact CG2-CZ3 3.49Å; V48-W202 VanDerWaalsContact CG2-CZ3 3.49Å; I200-W202 WeakPolarHBondContact CG2-O 3.05Å; I200-W202 PolarHBondContact O-N 3Å; W202-K204 PolarHBondContact O-N 3.39Å; W202-Q214 HydrophobicContact CB-CB 4.4Å; W202-Q214 HydrophobicContact CE3-CB 4.28Å; W202-A215 WeakPolarHBondContact CB-O 3.45Å; W202-K216 HydrophobicContact CD2-CG 4.26Å; W202-K216 HydrophobicContact CG-CG 4.32Å; W202-K216 HydrophobicContact CZ2-CG 4.41Å
203	V	94.1	Very high	78.2	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.7	177	-177.2	0	0	0	0	108.5	W190 V205 Q214 A215 L218 R374 V375	W190-V203 HydrophobicContact CE3-CG1 3.91Å; W190-V203 HydrophobicContact CE3-CG2 4.44Å; W190-V203 HydrophobicContact CZ3-CG1 3.8Å; V203-V205 HydrophobicContact CG1-CG2 4.43Å; V203-Q214 CarbonylContact O-C 3.54Å; V203-Q214 VanDerWaalsContact O-CA 3.32Å; V203-Q214 WeakPolarHBondContact O-CA 3.19Å; V203-A215 HydrophobicContact CB-CB 4.48Å; V203-A215 PolarHBondContact N-O 3.36Å; V203-A215 PolarHBondContact O-N 2.76Å; V203-L218 HydrophobicContact CB-CB 4.36Å; V203-L218 HydrophobicContact CG1-CB 4.18Å; V203-L218 HydrophobicContact CG1-CD2 3.98Å; V203-L218 HydrophobicContact CG2-CB 4.34Å; V203-R374 HydrophobicContact CG2-CB 3.87Å; V203-V375 HydrophobicContact CG2-CG2 4.11Å
204	K	95.2	Very high	80.1	Confident	67 Å²	67	67.8 Å²	67.8	29%	0.291	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.7	176	-173.3	176	178.4	172.5	0	109.3	Y188 T189 I200 W202 T212 L213	Y188-K204 CarbonylContact C-O 3.59Å; Y188-K204 WeakPolarHBondContact CA-O 3.4Å; T189-K204 PolarHBondContact N-O 2.79Å; T189-K204 PolarHBondContact O-N 3.34Å; I200-K204 HydrophobicContact CD1-CB 4.46Å; I200-K204 HydrophobicContact CD1-CD 4.04Å; I200-K204 HydrophobicContact CG2-CB 4.48Å; W202-K204 PolarHBondContact O-N 3.39Å; K204-T212 HydrophobicContact CD-CG2 3.73Å; K204-T212 HydrophobicContact CG-CG2 3.24Å; K204-L213 CarbonylContact C-O 3.55Å; K204-L213 WeakPolarHBondContact CA-O 3.39Å
205	V	96.2	Very high	82.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.2	-177.6	-175.2	0	0	0	0	108.6	I52 L81 V185 Y188 V203 L207 T212 L213 L218	I52-V205 HydrophobicContact CD1-CG2 4.14Å; L81-V205 HydrophobicContact CD1-CG1 3.99Å; V185-V205 HydrophobicContact CB-CG1 4.27Å; V185-V205 HydrophobicContact CG1-CG1 3.56Å; V185-V205 HydrophobicContact CG2-CG1 3.66Å; Y188-V205 HydrophobicContact CD1-CG1 4.35Å; Y188-V205 HydrophobicContact CD1-CG2 4.06Å; Y188-V205 HydrophobicContact CE1-CG1 4.04Å; Y188-V205 HydrophobicContact CE1-CG2 4.19Å; V203-V205 HydrophobicContact CG1-CG2 4.43Å; V205-L207 HydrophobicContact CG1-CD2 4.28Å; V205-T212 WeakPolarHBondContact O-CA 3.48Å; V205-L213 PolarHBondContact N-O 3.28Å; V205-L213 PolarHBondContact O-N 3.19Å; V205-L218 HydrophobicContact CG2-CD1 4.15Å
206	T	95.9	Very high	84.5	Confident	28 Å²	28	53.5 Å²	53.5	17%	0.172	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.2	177	-56	0	0	0	0	110.1	V186 K187 E211 T212	V186-T206 HydrophobicContact CG2-CG2 4.31Å; V186-T206 WeakPolarHBondContact CG2-O 3.28Å; V186-T206 PolarHBondContact N-O 3.05Å; K187-T206 PolarHBondContact N-O 3.49Å; K187-T206 PolarHBondContact O-N 3.3Å; T206-E211 WeakPolarHBondContact CA-O 3.28Å; T206-T212 PolarHBondContact OG1-OG1 2.91Å
207	L	96.3	Very high	86.7	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	160.7	179.3	-55	-172	0	0	0	111.1	L81 K184 V185 V205 N209 G210 E211 L213	L81-L207 HydrophobicContact CD1-CD2 3.83Å; L81-L207 HydrophobicContact CD2-CD1 4.32Å; L81-L207 HydrophobicContact CD2-CD2 4.13Å; K184-L207 CarbonylContact O-C 3.56Å; K184-L207 WeakPolarHBondContact O-CA 3.44Å; V185-L207 HydrophobicContact CG2-CD2 3.8Å; V205-L207 HydrophobicContact CG1-CD2 4.28Å; L207-N209 VanDerWaalsContact CB-OD1 3.24Å; L207-N209 WeakPolarHBondContact CB-OD1 3.27Å; L207-N209 PolarHBondContact O-N 3.22Å; L207-G210 PolarHBondContact O-N 3.03Å; L207-E211 HydrophobicContact CB-CB 4.39Å; L207-E211 HydrophobicContact CD1-CB 4.22Å; L207-E211 HydrophobicContact CD1-CG 4.5Å; L207-E211 WeakPolarHBondContact CD1-OE2 3.18Å; L207-E211 HydrophobicContact CG-CB 4.47Å; L207-E211 PolarHBondContact N-O 3.42Å; L207-L213 HydrophobicContact CD1-CD1 4.18Å
208	A	95.1	Very high	88.8	Confident	66 Å²	66	45 Å²	45	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.6	-179.1	0	0	0	0	0	113.7	K184 V186 G210	K184-A208 HydrophobicContact CB-CB 4.28Å; K184-A208 WeakPolarHBondContact O-CB 3.42Å; K184-A208 PolarHBondContact O-N 3.34Å; V186-A208 HydrophobicContact CG1-CB 3.73Å; A208-G210 PolarHBondContact O-N 3.39Å
209	N	93	Very high	91	Very high	115 Å²	115	36.6 Å²	36.6	62%	0.615	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	1.5	175.2	66.8	-3.2	0	0	0	113.3	L207 E211	L207-N209 VanDerWaalsContact CB-OD1 3.24Å; L207-N209 WeakPolarHBondContact CB-OD1 3.27Å; L207-N209 PolarHBondContact O-N 3.22Å; N209-E211 VanDerWaalsContact C-N 3.33Å; N209-E211 WeakPolarHBondContact OD1-CB 3.5Å; N209-E211 PolarHBondContact OD1-N 3.44Å
210	G	93	Very high	93	Very high	53 Å²	53	33.5 Å²	33.5	55%	0.546	19%	0.192	S	C	.	.	S	Bend	trans	88.4	-11	-177.6	0	0	0	0	0	114.8	L207 A208	L207-G210 PolarHBondContact O-N 3.03Å; A208-G210 PolarHBondContact O-N 3.39Å
211	E	94.4	Very high	94.7	Very high	63 Å²	63	32 Å²	32	29%	0.294	19%	0.186	S	C	.	.			trans	-59.9	140.1	175.4	-174.9	179.9	-167.7	0	0	110.2	K180 T206 L207 N209 L213	K180-E211 IonicContact NZ-OE1 2.82Å; K180-E211 PolarHBondContact NZ-OE1 3.19Å; K180-E211 IonicContact NZ-OE2 3.91Å; K180-E211 PolarHBondContact NZ-OE2 3.06Å; T206-E211 WeakPolarHBondContact CA-O 3.28Å; L207-E211 HydrophobicContact CB-CB 4.39Å; L207-E211 HydrophobicContact CD1-CB 4.22Å; L207-E211 HydrophobicContact CD1-CG 4.5Å; L207-E211 WeakPolarHBondContact CD1-OE2 3.18Å; L207-E211 HydrophobicContact CG-CB 4.47Å; L207-E211 PolarHBondContact N-O 3.42Å; N209-E211 VanDerWaalsContact C-N 3.33Å; N209-E211 WeakPolarHBondContact OD1-CB 3.5Å; N209-E211 PolarHBondContact OD1-N 3.44Å; E211-L213 HydrophobicContact CG-CD2 4.04Å; E211-L213 HydrophobicContact CG-CG 4.39Å; E211-L213 WeakPolarHBondContact OE1-CD2 3.39Å
212	T	94.4	Very high	95.5	Very high	34 Å²	34	30.7 Å²	30.7	21%	0.209	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.2	175.9	-56.4	0	0	0	0	112.1	K204 V205 T206	K204-T212 HydrophobicContact CD-CG2 3.73Å; K204-T212 HydrophobicContact CG-CG2 3.24Å; V205-T212 WeakPolarHBondContact O-CA 3.48Å; T206-T212 PolarHBondContact OG1-OG1 2.91Å
213	L	95.9	Very high	95.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	159.1	-176.2	-53.5	177.5	0	0	0	110.2	E47 Y49 I52 L79 L81 K204 V205 L207 E211	E47-L213 HydrophobicContact CB-CD2 4.13Å; Y49-L213 HydrophobicContact CE2-CD1 4.46Å; Y49-L213 HydrophobicContact CE2-CD2 4.15Å; I52-L213 HydrophobicContact CD1-CB 3.84Å; I52-L213 HydrophobicContact CD1-CD1 4.43Å; L79-L213 HydrophobicContact CD2-CD1 3.36Å; L81-L213 HydrophobicContact CD2-CD1 4.38Å; K204-L213 CarbonylContact C-O 3.55Å; K204-L213 WeakPolarHBondContact CA-O 3.39Å; V205-L213 PolarHBondContact N-O 3.28Å; V205-L213 PolarHBondContact O-N 3.19Å; L207-L213 HydrophobicContact CD1-CD1 4.18Å; E211-L213 HydrophobicContact CG-CD2 4.04Å; E211-L213 HydrophobicContact CG-CG 4.39Å; E211-L213 WeakPolarHBondContact OE1-CD2 3.39Å
214	Q	95.7	Very high	95.2	Very high	35 Å²	35	30.4 Å²	30.4	16%	0.164	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.8	174.2	-76.8	176.1	-17.3	0	0	111.2	T46 E47 V48 Y49 W202 V203	T46-Q214 HydrophobicContact CG2-CB 4.36Å; T46-Q214 HydrophobicContact CG2-CG 3.6Å; E47-Q214 PolarHBondContact O-N 3.06Å; V48-Q214 WeakPolarHBondContact CA-O 3.36Å; V48-Q214 HydrophobicContact CG2-CB 4.16Å; Y49-Q214 PolarHBondContact N-O 3.16Å; W202-Q214 HydrophobicContact CB-CB 4.4Å; W202-Q214 HydrophobicContact CE3-CB 4.28Å; V203-Q214 CarbonylContact O-C 3.54Å; V203-Q214 VanDerWaalsContact O-CA 3.32Å; V203-Q214 WeakPolarHBondContact O-CA 3.19Å
215	A	96.7	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.3	-179.7	0	0	0	0	0	111.3	Y49 I52 W202 V203 L217	Y49-A215 WeakPolarHBondContact O-CA 3.5Å; I52-A215 HydrophobicContact CB-CB 3.78Å; I52-A215 HydrophobicContact CD1-CB 3.77Å; I52-A215 HydrophobicContact CG1-CB 3.56Å; W202-A215 WeakPolarHBondContact CB-O 3.45Å; V203-A215 HydrophobicContact CB-CB 4.48Å; V203-A215 PolarHBondContact N-O 3.36Å; V203-A215 PolarHBondContact O-N 2.76Å; A215-L217 VanDerWaalsContact C-N 3.27Å
216	K	95.6	Very high	94.8	Very high	60 Å²	60	33.1 Å²	33.1	26%	0.261	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-33.5	169.8	-57.3	-176.4	-173.7	162.3	0	111.6	Y49 D50 W202 R374	Y49-K216 PolarHBondContact O-N 2.95Å; D50-K216 WeakPolarHBondContact O-CB 3.25Å; D50-K216 WeakPolarHBondContact OD1-CD 3.5Å; D50-K216 WeakPolarHBondContact OD1-CE 3.4Å; D50-K216 IonicContact OD1-NZ 3Å; D50-K216 PolarHBondContact OD1-NZ 3.34Å; W202-K216 HydrophobicContact CD2-CG 4.26Å; W202-K216 HydrophobicContact CG-CG 4.32Å; W202-K216 HydrophobicContact CZ2-CG 4.41Å; K216-R374 WeakPolarHBondContact O-CB 3.2Å; K216-R374 VanDerWaalsContact O-CD 3.3Å; K216-R374 WeakPolarHBondContact O-CD 3.42Å; K216-R374 WeakPolarHBondContact O-CG 3.48Å; K216-R374 PolarHBondContact O-NH1 2.91Å
217	L	97.6	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.3	169.7	174.7	65.2	0	0	0	109.8	D50 V51 I52 A215 I219 L407 L423	D50-L217 PolarHBondContact O-N 3.01Å; V51-L217 WeakPolarHBondContact CA-O 3.49Å; V51-L217 HydrophobicContact CG2-CB 4.47Å; V51-L217 HydrophobicContact CG2-CD2 4.37Å; I52-L217 PolarHBondContact N-O 2.96Å; A215-L217 VanDerWaalsContact C-N 3.27Å; L217-I219 HydrophobicContact CD2-CD1 4.22Å; L217-I219 HydrophobicContact CD2-CG1 4.18Å; L217-I219 HydrophobicContact CG-CG1 4.14Å; L217-L407 HydrophobicContact CD2-CD1 3.75Å; L217-L407 HydrophobicContact CD2-CD2 3.64Å; L217-L407 HydrophobicContact CD2-CG 4.37Å; L217-L423 HydrophobicContact CD1-CD1 4.03Å; L217-L423 HydrophobicContact CD1-CD2 4.23Å
218	L	98.3	Very high	94.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.4	168.3	178.5	71.9	0	0	0	109.6	I52 Y188 W190 V203 V205 V228 R374 V375 A376	I52-L218 HydrophobicContact CB-CD1 4.12Å; I52-L218 HydrophobicContact CG2-CD1 3.94Å; I52-L218 CarbonylContact O-C 3.53Å; I52-L218 WeakPolarHBondContact O-CA 3.24Å; Y188-L218 HydrophobicContact CD1-CD2 3.61Å; Y188-L218 HydrophobicContact CE1-CD1 4.11Å; Y188-L218 HydrophobicContact CE1-CD2 3.58Å; Y188-L218 HydrophobicContact CG-CD2 4.48Å; W190-L218 HydrophobicContact CH2-CD2 4.18Å; W190-L218 HydrophobicContact CZ3-CD2 3.88Å; V203-L218 HydrophobicContact CB-CB 4.36Å; V203-L218 HydrophobicContact CG1-CB 4.18Å; V203-L218 HydrophobicContact CG1-CD2 3.98Å; V203-L218 HydrophobicContact CG2-CB 4.34Å; V205-L218 HydrophobicContact CG2-CD1 4.15Å; L218-V228 HydrophobicContact CD2-CG1 3.89Å; L218-V228 HydrophobicContact CD2-CG2 4.19Å; L218-R374 PolarHBondContact N-O 3.18Å; L218-V375 HydrophobicContact CB-CG1 4.32Å; L218-V375 HydrophobicContact CB-CG2 4.31Å; L218-V375 HydrophobicContact CD2-CG1 4.22Å; L218-V375 HydrophobicContact CG-CG1 4.39Å; L218-V375 CarbonylContact O-C 3.59Å; L218-V375 VanDerWaalsContact O-CA 3.24Å; L218-V375 WeakPolarHBondContact O-CA 3.2Å; L218-A376 PolarHBondContact O-N 3.03Å
219	I	98.7	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.8	172.4	-57.3	178.3	0	0	0	108.4	V51 I52 I53 S54 M63 L67 L217 A376 I378 L403 L407	V51-I219 HydrophobicContact CG1-CD1 3.66Å; V51-I219 HydrophobicContact CG1-CG1 4.02Å; I52-I219 PolarHBondContact O-N 3.21Å; I53-I219 CarbonylContact C-O 3.57Å; I53-I219 WeakPolarHBondContact CA-O 3.39Å; I53-I219 HydrophobicContact CG1-CB 4.15Å; I53-I219 HydrophobicContact CG1-CD1 4.31Å; S54-I219 PolarHBondContact N-O 3.48Å; M63-I219 HydrophobicContact CE-CD1 4.09Å; M63-I219 HydrophobicContact CG-CD1 4.03Å; M63-I219 HydrophobicContact SD-CD1 4.35Å; L67-I219 HydrophobicContact CD1-CD1 4.09Å; L217-I219 HydrophobicContact CD2-CD1 4.22Å; L217-I219 HydrophobicContact CD2-CG1 4.18Å; L217-I219 HydrophobicContact CG-CG1 4.14Å; I219-A376 CarbonylContact C-O 3.52Å; I219-A376 VanDerWaalsContact CA-O 3.31Å; I219-A376 WeakPolarHBondContact CA-O 3.15Å; I219-I378 HydrophobicContact CG2-CD1 3.74Å; I219-I378 HydrophobicContact CG2-CG1 4.01Å; I219-I378 HydrophobicContact CG2-CG2 4.11Å; I219-L403 HydrophobicContact CD1-CD2 4.17Å; I219-L407 HydrophobicContact CD1-CD1 4.39Å
220	G	98.1	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.4	174.1	0	0	0	0	0	111.1	A376 L377 I378 A381	G220-A376 PolarHBondContact N-O 3.06Å; G220-L377 WeakPolarHBondContact O-CA 3.5Å; G220-I378 PolarHBondContact O-N 2.93Å; G220-A381 WeakPolarHBondContact O-CB 3.31Å
221	A	97.3	Very high	94.8	Very high	11 Å²	11	34.3 Å²	34.3	9%	0.091	18%	0.176	C	C	.	.			trans	-127.7	29	176.1	0	0	0	0	0	110.9	I53 S54 G223 I378	I53-A221 HydrophobicContact CG2-CB 4.18Å; S54-A221 CarbonylContact O-C 3.45Å; S54-A221 VanDerWaalsContact O-C 3.25Å; S54-A221 WeakPolarHBondContact O-CA 3.42Å; S54-A221 PolarHBondContact O-N 3.33Å; A221-G223 PolarHBondContact O-N 3.13Å; A221-I378 HydrophobicContact CB-CD1 3.96Å; A221-I378 HydrophobicContact CB-CG1 3.72Å
222	D	93.9	Very high	94.8	Very high	41 Å²	41	32.8 Å²	32.8	22%	0.219	17%	0.17	C	C	.	.			trans	-89.6	25.9	-171.4	58.1	-24.1	0	0	0	113.4	S54 S226 M227 V228	S54-D222 PolarHBondContact O-N 3.49Å; S54-D222 VanDerWaalsContact O-N 3.11Å; D222-S226 VanDerWaalsContact CG-CA 3.46Å; D222-S226 WeakPolarHBondContact OD1-CA 3.31Å; D222-S226 WeakPolarHBondContact OD1-CB 3.39Å; D222-S226 PolarHBondContact OD1-OG 3.22Å; D222-S226 WeakPolarHBondContact OD2-CA 3.4Å; D222-S226 PolarHBondContact OD2-OG 2.85Å; D222-M227 PolarHBondContact OD2-N 3.47Å; D222-V228 PolarHBondContact OD2-N 3.48Å
223	G	91	Very high	94.7	Very high	18 Å²	18	33.8 Å²	33.8	19%	0.186	19%	0.187	C	C	.	.			trans	73.8	-165.4	167.8	0	0	0	0	0	115.4	A221 N225 S226 D380 A381	A221-G223 PolarHBondContact O-N 3.13Å; G223-N225 PolarHBondContact O-N 3.34Å; G223-N225 VanDerWaalsContact O-N 3.14Å; G223-S226 WeakPolarHBondContact O-CB 3.37Å; G223-S226 PolarHBondContact O-N 3.11Å; G223-D380 CarbonylContact O-C 3.29Å; G223-A381 WeakPolarHBondContact O-CA 3.21Å; G223-A381 PolarHBondContact O-N 3.48Å
224	P	86.9	Confident	94.6	Very high	44 Å²	44	34.1 Å²	34.1	29%	0.286	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26	-169.1	25.5	-35.3	0	0	0	113.4	S226 R229 D380	P224-S226 VanDerWaalsContact C-N 3.32Å; P224-R229 PolarHBondContact O-NH1 3.49Å; P224-R229 PolarHBondContact O-NH2 3.12Å; P224-D380 WeakPolarHBondContact CA-O 3.09Å; P224-D380 HydrophobicContact CB-CB 4.37Å
225	N	89	Confident	94.3	Very high	125 Å²	125	36.1 Å²	36.1	67%	0.668	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	30.9	176.5	-66.6	-34.8	0	0	0	112.4	G223 M227 Q230	G223-N225 PolarHBondContact O-N 3.34Å; G223-N225 VanDerWaalsContact O-N 3.14Å; N225-M227 PolarHBondContact O-N 3.45Å; N225-M227 VanDerWaalsContact O-N 3.15Å; N225-Q230 PolarHBondContact O-NE2 2.91Å
226	S	94	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.			trans	-43.1	118.2	-178.6	176.6	0	0	0	0	113.2	D222 G223 P224 V228 R229 Q230	D222-S226 VanDerWaalsContact CG-CA 3.46Å; D222-S226 WeakPolarHBondContact OD1-CA 3.31Å; D222-S226 WeakPolarHBondContact OD1-CB 3.39Å; D222-S226 PolarHBondContact OD1-OG 3.22Å; D222-S226 WeakPolarHBondContact OD2-CA 3.4Å; D222-S226 PolarHBondContact OD2-OG 2.85Å; G223-S226 WeakPolarHBondContact O-CB 3.37Å; G223-S226 PolarHBondContact O-N 3.11Å; P224-S226 VanDerWaalsContact C-N 3.32Å; S226-V228 PolarHBondContact OG-N 3.37Å; S226-R229 WeakPolarHBondContact OG-CB 3.37Å; S226-R229 PolarHBondContact OG-N 3.42Å; S226-R229 VanDerWaalsContact OG-N 3.09Å; S226-Q230 WeakPolarHBondContact O-CG 3.39Å; S226-Q230 PolarHBondContact O-N 3.06Å; S226-Q230 PolarHBondContact O-NE2 3Å
227	M	94.5	Very high	93.4	Very high	44 Å²	44	39.2 Å²	39.2	22%	0.217	23%	0.228	C	C	.	.	H	α-helix	trans	-75.7	-35.5	173.2	177.4	-175.5	35.9	0	0	110.1	V185 Y188 D222 N225 R229 Q230 K231	V185-M227 HydrophobicContact CB-CE 3.78Å; V185-M227 HydrophobicContact CG1-CE 3.94Å; V185-M227 WeakPolarHBondContact O-CE 3.35Å; Y188-M227 HydrophobicContact CD2-CG 4.45Å; Y188-M227 HydrophobicContact CE2-CB 4.41Å; Y188-M227 HydrophobicContact CE2-CE 3.62Å; Y188-M227 HydrophobicContact CE2-CG 3.9Å; Y188-M227 HydrophobicContact CE2-SD 4Å; D222-M227 PolarHBondContact OD2-N 3.47Å; N225-M227 PolarHBondContact O-N 3.45Å; N225-M227 VanDerWaalsContact O-N 3.15Å; M227-R229 VanDerWaalsContact C-N 3.34Å; M227-R229 PolarHBondContact O-N 2.95Å; M227-Q230 PolarHBondContact O-N 2.98Å; M227-K231 HydrophobicContact CG-CG 3.87Å; M227-K231 WeakPolarHBondContact O-CB 3.26Å; M227-K231 VanDerWaalsContact O-CG 3.26Å; M227-K231 WeakPolarHBondContact O-CG 3.4Å; M227-K231 PolarHBondContact O-N 3.48Å
228	V	95.6	Very high	92.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.6	-53.6	175	-179	0	0	0	0	109.7	Y188 W190 L218 D222 S226 Q230 K231 L232 V375 L377	Y188-V228 HydrophobicContact CE1-CG2 4.1Å; Y188-V228 HydrophobicContact CE2-CB 4.5Å; Y188-V228 HydrophobicContact CE2-CG2 3.82Å; Y188-V228 VanDerWaalsContact CZ-CG2 3.48Å; Y188-V228 VanDerWaalsContact OH-CG2 3.3Å; Y188-V228 WeakPolarHBondContact OH-CG2 3.49Å; W190-V228 HydrophobicContact CH2-CG1 4.25Å; L218-V228 HydrophobicContact CD2-CG1 3.89Å; L218-V228 HydrophobicContact CD2-CG2 4.19Å; D222-V228 PolarHBondContact OD2-N 3.48Å; S226-V228 PolarHBondContact OG-N 3.37Å; V228-Q230 PolarHBondContact O-N 3.02Å; V228-K231 PolarHBondContact O-N 3.02Å; V228-L232 HydrophobicContact CG1-CD1 4.13Å; V228-L232 WeakPolarHBondContact O-CG 3.22Å; V228-L232 PolarHBondContact O-N 3.47Å; V228-L232 VanDerWaalsContact O-N 3.08Å; V228-V375 HydrophobicContact CG1-CG1 3.64Å; V228-L377 HydrophobicContact CB-CD2 4.01Å; V228-L377 HydrophobicContact CG1-CD2 3.69Å
229	R	95.1	Very high	91.7	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.023	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-48.7	177.7	-175.3	-174.2	64	-129	-4.7	112.1	P224 S226 M227 K231 L232 G233 I234 T236 L377 A381	P224-R229 PolarHBondContact O-NH1 3.49Å; P224-R229 PolarHBondContact O-NH2 3.12Å; S226-R229 WeakPolarHBondContact OG-CB 3.37Å; S226-R229 PolarHBondContact OG-N 3.42Å; S226-R229 VanDerWaalsContact OG-N 3.09Å; M227-R229 VanDerWaalsContact C-N 3.34Å; M227-R229 PolarHBondContact O-N 2.95Å; R229-K231 PolarHBondContact O-N 3.39Å; R229-L232 PolarHBondContact O-N 3.45Å; R229-G233 PolarHBondContact O-N 2.94Å; R229-I234 HydrophobicContact CG-CB 3.97Å; R229-I234 HydrophobicContact CG-CG2 4.23Å; R229-I234 PolarHBondContact O-N 2.96Å; R229-T236 WeakPolarHBondContact CD-OG1 3.32Å; R229-T236 PolarHBondContact NE-OG1 3.24Å; R229-T236 VanDerWaalsContact NE-OG1 3.14Å; R229-L377 HydrophobicContact CB-CD1 3.78Å; R229-L377 HydrophobicContact CB-CD2 4.26Å; R229-L377 HydrophobicContact CG-CD1 3.8Å; R229-A381 WeakPolarHBondContact CD-O 3.48Å; R229-A381 PolarHBondContact NH1-O 3.34Å
230	Q	94.6	Very high	90.6	Very high	113 Å²	113	54 Å²	54	53%	0.528	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-42.1	-178.7	-73.7	168.9	50.1	0	0	112.5	N225 S226 M227 V228 L232 G233	N225-Q230 PolarHBondContact O-NE2 2.91Å; S226-Q230 WeakPolarHBondContact O-CG 3.39Å; S226-Q230 PolarHBondContact O-N 3.06Å; S226-Q230 PolarHBondContact O-NE2 3Å; M227-Q230 PolarHBondContact O-N 2.98Å; V228-Q230 PolarHBondContact O-N 3.02Å; Q230-L232 VanDerWaalsContact C-N 3.32Å; Q230-G233 PolarHBondContact O-N 2.83Å; Q230-G233 VanDerWaalsContact O-N 3.08Å
231	K	94.4	Very high	89.4	Confident	125 Å²	125	54.9 Å²	54.9	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-75.2	-20.6	-178.9	-67.6	-61.6	-177.5	-172.7	0	113.4	Y188 W190 M227 V228 R229	Y188-K231 HydrophobicContact CD2-CB 4.3Å; Y188-K231 HydrophobicContact CD2-CG 4.27Å; W190-K231 HydrophobicContact CZ2-CB 3.75Å; W190-K231 PolarHBondContact NE1-O 3.38Å; M227-K231 HydrophobicContact CG-CG 3.87Å; M227-K231 WeakPolarHBondContact O-CB 3.26Å; M227-K231 VanDerWaalsContact O-CG 3.26Å; M227-K231 WeakPolarHBondContact O-CG 3.4Å; M227-K231 PolarHBondContact O-N 3.48Å; V228-K231 PolarHBondContact O-N 3.02Å; R229-K231 PolarHBondContact O-N 3.39Å
232	L	92.8	Very high	88.6	Confident	31 Å²	31	59.9 Å²	59.9	16%	0.162	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.2	167.6	-72.9	170.6	0	0	0	113	W190 V228 R229 Q230 I234 R372 V375	W190-L232 HydrophobicContact CD2-CD2 3.53Å; W190-L232 HydrophobicContact CD2-CG 4.46Å; W190-L232 HydrophobicContact CE3-CD2 3.69Å; W190-L232 HydrophobicContact CG-CD2 4.22Å; W190-L232 HydrophobicContact CH2-CD1 4.22Å; W190-L232 HydrophobicContact CH2-CD2 3.66Å; W190-L232 HydrophobicContact CH2-CG 3.61Å; W190-L232 HydrophobicContact CZ2-CB 4.41Å; W190-L232 HydrophobicContact CZ2-CD2 3.48Å; W190-L232 VanDerWaalsContact CZ2-CD2 3.48Å; W190-L232 HydrophobicContact CZ2-CG 3.48Å; W190-L232 VanDerWaalsContact CZ2-CG 3.48Å; W190-L232 HydrophobicContact CZ3-CD2 3.76Å; W190-L232 HydrophobicContact CZ3-CG 4.16Å; V228-L232 HydrophobicContact CG1-CD1 4.13Å; V228-L232 WeakPolarHBondContact O-CG 3.22Å; V228-L232 PolarHBondContact O-N 3.47Å; V228-L232 VanDerWaalsContact O-N 3.08Å; R229-L232 PolarHBondContact O-N 3.45Å; Q230-L232 VanDerWaalsContact C-N 3.32Å; L232-I234 HydrophobicContact CB-CD1 3.84Å; L232-I234 HydrophobicContact CB-CG1 3.83Å; L232-I234 HydrophobicContact CD1-CD1 3.73Å; L232-I234 HydrophobicContact CG-CD1 4.45Å; L232-I234 PolarHBondContact O-N 3.16Å; L232-R372 HydrophobicContact CB-CG 4.42Å; L232-R372 HydrophobicContact CD1-CB 4.15Å; L232-R372 HydrophobicContact CD1-CG 3.91Å; L232-R372 HydrophobicContact CD2-CB 4.1Å; L232-R372 HydrophobicContact CD2-CG 4.01Å; L232-R372 HydrophobicContact CG-CG 4.34Å; L232-V375 HydrophobicContact CD1-CB 4.01Å; L232-V375 HydrophobicContact CD1-CG1 3.71Å; L232-V375 HydrophobicContact CD1-CG2 4.27Å; L232-V375 HydrophobicContact CD2-CG2 4.39Å
233	G	93.2	Very high	88.2	Confident	55 Å²	55	58.8 Å²	58.8	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	22.4	-175.7	0	0	0	0	0	113.2	R229 Q230 P235	R229-G233 PolarHBondContact O-N 2.94Å; Q230-G233 PolarHBondContact O-N 2.83Å; Q230-G233 VanDerWaalsContact O-N 3.08Å; G233-P235 VanDerWaalsContact O-CD 3.24Å; G233-P235 WeakPolarHBondContact O-CD 3.38Å
234	I	93.3	Very high	88.2	Confident	8 Å²	8	58 Å²	58	4%	0.041	31%	0.31	C	S	.	.			trans	-68.3	118.9	179.1	-68.5	166.5	0	0	0	108.5	R229 L232 T236 A367 E369 R372 L377	R229-I234 HydrophobicContact CG-CB 3.97Å; R229-I234 HydrophobicContact CG-CG2 4.23Å; R229-I234 PolarHBondContact O-N 2.96Å; L232-I234 HydrophobicContact CB-CD1 3.84Å; L232-I234 HydrophobicContact CB-CG1 3.83Å; L232-I234 HydrophobicContact CD1-CD1 3.73Å; L232-I234 HydrophobicContact CG-CD1 4.45Å; L232-I234 PolarHBondContact O-N 3.16Å; I234-T236 PolarHBondContact O-N 3.31Å; I234-A367 HydrophobicContact CG2-CB 4.06Å; I234-E369 HydrophobicContact CG2-CB 4.27Å; I234-E369 WeakPolarHBondContact CG2-O 3.38Å; I234-R372 HydrophobicContact CD1-CG 3.99Å; I234-R372 HydrophobicContact CG1-CG 4.33Å; I234-L377 HydrophobicContact CD1-CD1 3.77Å
235	P	90.9	Very high	88.4	Confident	77 Å²	77	55.9 Å²	55.9	50%	0.5	30%	0.296	S	S	.	.			trans	-57.1	139.7	175.5	-23.8	34.1	0	0	0	111.1	G233 S368	G233-P235 VanDerWaalsContact O-CD 3.24Å; G233-P235 WeakPolarHBondContact O-CD 3.38Å; P235-S368 WeakPolarHBondContact CD-OG 3.35Å; P235-S368 PolarHBondContact O-N 2.81Å; P235-S368 PolarHBondContact O-OG 2.99Å
236	T	87.6	Confident	88.6	Confident	42 Å²	42	49.9 Å²	49.9	26%	0.258	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.8	174.5	-43.2	0	0	0	0	108.3	R229 I234 K238 H366	R229-T236 WeakPolarHBondContact CD-OG1 3.32Å; R229-T236 PolarHBondContact NE-OG1 3.24Å; R229-T236 VanDerWaalsContact NE-OG1 3.14Å; I234-T236 PolarHBondContact O-N 3.31Å; T236-K238 HydrophobicContact CG2-CD 4.23Å; T236-K238 HydrophobicContact CG2-CG 3.66Å; T236-K238 PolarHBondContact O-N 2.84Å; T236-H366 CarbonylContact C-O 3.58Å; T236-H366 WeakPolarHBondContact CA-O 3.38Å; T236-H366 VanDerWaalsContact CG2-O 3.31Å; T236-H366 WeakPolarHBondContact CG2-O 3.39Å
237	V	84.1	Confident	88.6	Confident	84 Å²	84	50 Å²	50	51%	0.509	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.9	167.7	-159.9	0	0	0	0	106.8	W239 G365 H366	V237-W239 HydrophobicContact CB-CZ3 4.04Å; V237-W239 HydrophobicContact CG1-CE3 3.83Å; V237-W239 HydrophobicContact CG1-CZ3 3.45Å; V237-W239 VanDerWaalsContact CG1-CZ3 3.45Å; V237-G365 CarbonylContact O-C 3.54Å; V237-G365 WeakPolarHBondContact O-CA 3.11Å; V237-H366 PolarHBondContact N-O 3.32Å; V237-H366 PolarHBondContact O-N 2.95Å
238	K	82.4	Confident	88.7	Confident	108 Å²	108	48 Å²	48	47%	0.47	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.7	179.8	-63.1	-175.9	179.2	-176.5	0	109	T236 V364	T236-K238 HydrophobicContact CG2-CD 4.23Å; T236-K238 HydrophobicContact CG2-CG 3.66Å; T236-K238 PolarHBondContact O-N 2.84Å; K238-V364 WeakPolarHBondContact CA-O 3.4Å
239	W	78.8	Confident	88.7	Confident	82 Å²	82	48.2 Å²	48.2	31%	0.311	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.2	164.2	49.1	94.4	0	0	0	108	V237 Y241 V364 D442	V237-W239 HydrophobicContact CB-CZ3 4.04Å; V237-W239 HydrophobicContact CG1-CE3 3.83Å; V237-W239 HydrophobicContact CG1-CZ3 3.45Å; V237-W239 VanDerWaalsContact CG1-CZ3 3.45Å; W239-Y241 AromaticContact CD1-CE1 3.56Å; W239-Y241 AromaticContact CD1-CZ 3.7Å; W239-Y241 AromaticContact NE1-CE1 3.51Å; W239-Y241 AromaticContact NE1-CZ 3.35Å; W239-Y241 VanDerWaalsContact NE1-CZ 3.35Å; W239-Y241 PolarHBondContact NE1-OH 2.86Å; W239-V364 HydrophobicContact CD2-CG1 4.33Å; W239-V364 HydrophobicContact CH2-CG1 3.91Å; W239-V364 HydrophobicContact CZ2-CB 4.15Å; W239-V364 HydrophobicContact CZ2-CG1 3.41Å; W239-V364 VanDerWaalsContact CZ2-CG1 3.41Å; W239-V364 PolarHBondContact N-O 2.88Å; W239-V364 PolarHBondContact O-N 3.38Å; W239-V364 VanDerWaalsContact O-N 3.14Å; W239-D442 PolarHBondContact NE1-OD1 2.89Å; W239-D442 VanDerWaalsContact NE1-OD1 3.1Å
240	N	75.9	Confident	88.7	Confident	119 Å²	119	48 Å²	48	64%	0.636	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	139.6	167.4	-64.7	-22.4	0	0	0	106.6	D242	N240-D242 PolarHBondContact O-N 3.4Å
241	Y	71.1	Confident	88.8	Confident	19 Å²	19	45.5 Å²	45.5	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	5.2	179.5	-75.7	-64.9	0	0	0	113.3	W239 Q243 L362 V364 H386 D442 K445	W239-Y241 AromaticContact CD1-CE1 3.56Å; W239-Y241 AromaticContact CD1-CZ 3.7Å; W239-Y241 AromaticContact NE1-CE1 3.51Å; W239-Y241 AromaticContact NE1-CZ 3.35Å; W239-Y241 VanDerWaalsContact NE1-CZ 3.35Å; W239-Y241 PolarHBondContact NE1-OH 2.86Å; Y241-Q243 WeakPolarHBondContact O-CG 3.27Å; Y241-Q243 PolarHBondContact O-N 2.97Å; Y241-Q243 VanDerWaalsContact O-N 3.14Å; Y241-L362 PolarHBondContact N-O 3.47Å; Y241-V364 HydrophobicContact CE2-CB 3.96Å; Y241-V364 HydrophobicContact CE2-CG2 3.45Å; Y241-V364 VanDerWaalsContact CE2-CG2 3.45Å; Y241-V364 WeakPolarHBondContact OH-CG2 3.4Å; Y241-H386 AromaticContact CD2-CD2 3.53Å; Y241-H386 HydrophobicContact CE2-CB 3.9Å; Y241-H386 AromaticContact CE2-CD2 3.54Å; Y241-D442 VanDerWaalsContact CE1-OD1 3.26Å; Y241-D442 WeakPolarHBondContact CE1-OD1 3.22Å; Y241-D442 PolarHBondContact OH-OD1 2.76Å; Y241-K445 HydrophobicContact CD1-CD 3.83Å; Y241-K445 HydrophobicContact CE1-CD 3.77Å; Y241-K445 HydrophobicContact CE1-CG 4.28Å
242	D	80.9	Confident	88.9	Confident	116 Å²	116	40.2 Å²	40.2	62%	0.62	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	47	34.5	-166.9	-59.2	-30	0	0	0	112	N240	N240-D242 PolarHBondContact O-N 3.4Å
243	Q	85.1	Confident	88.9	Confident	18 Å²	18	41.3 Å²	41.3	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.5	-175.1	-76.7	-177.9	-36.3	0	0	111	Y241 T268 T287 H289 L362	Y241-Q243 WeakPolarHBondContact O-CG 3.27Å; Y241-Q243 PolarHBondContact O-N 2.97Å; Y241-Q243 VanDerWaalsContact O-N 3.14Å; Q243-T268 PolarHBondContact NE2-O 3.19Å; Q243-T287 CarbonylContact C-O 3.49Å; Q243-T287 WeakPolarHBondContact CA-O 3.49Å; Q243-T287 WeakPolarHBondContact CB-O 3.35Å; Q243-T287 WeakPolarHBondContact CG-O 3.41Å; Q243-H289 PolarHBondContact N-NE2 3.41Å; Q243-H289 PolarHBondContact O-CE1 2.95Å; Q243-L362 HydrophobicContact CB-CB 4.48Å; Q243-L362 HydrophobicContact CB-CD1 4.22Å; Q243-L362 WeakPolarHBondContact O-CB 3.27Å; Q243-L362 PolarHBondContact O-N 2.95Å
244	S	91.2	Very high	88.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.8	168.4	-76.9	0	0	0	0	109.3	S286 T287 H289 F360	S244-S286 WeakPolarHBondContact O-CA 3.47Å; S244-T287 PolarHBondContact N-O 2.75Å; S244-T287 PolarHBondContact O-N 3.23Å; S244-T287 VanDerWaalsContact O-O 3.12Å; S244-H289 PolarHBondContact OG-ND1 3.48Å; S244-F360 CarbonylContact C-O 3.57Å; S244-F360 WeakPolarHBondContact CA-O 3.11Å
245	A	91.3	Very high	88.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.9	162.7	0	0	0	0	0	109.5	V284 W285 M359 F360 L362	A245-V284 HydrophobicContact CB-CG1 4.25Å; A245-W285 CarbonylContact C-O 3.6Å; A245-W285 VanDerWaalsContact CA-O 3.31Å; A245-W285 WeakPolarHBondContact CA-O 3.3Å; A245-M359 CarbonylContact O-C 3.58Å; A245-M359 VanDerWaalsContact O-CA 3.25Å; A245-M359 WeakPolarHBondContact O-CA 3.42Å; A245-F360 HydrophobicContact CB-CD2 4.17Å; A245-F360 HydrophobicContact CB-CE1 4.15Å; A245-F360 HydrophobicContact CB-CE2 3.6Å; A245-F360 HydrophobicContact CB-CZ 3.57Å; A245-F360 PolarHBondContact N-O 3.38Å; A245-F360 PolarHBondContact O-N 3.14Å; A245-L362 HydrophobicContact CB-CD1 3.99Å; A245-L362 HydrophobicContact CB-CD2 3.63Å; A245-L362 HydrophobicContact CB-CG 4.03Å
246	V	94.4	Very high	88.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.2	165.7	-179.8	0	0	0	0	107.2	W285 A292 L295 L296 F303 V358 M359	V246-W285 HydrophobicContact CB-CB 4.38Å; V246-W285 PolarHBondContact N-O 2.66Å; V246-W285 PolarHBondContact O-N 3.01Å; V246-A292 HydrophobicContact CG2-CB 3.67Å; V246-L295 HydrophobicContact CG2-CB 4.43Å; V246-L295 HydrophobicContact CG2-CD1 4.23Å; V246-L296 HydrophobicContact CB-CD1 4.42Å; V246-L296 HydrophobicContact CG1-CD1 3.93Å; V246-L296 HydrophobicContact CG2-CD1 3.77Å; V246-F303 HydrophobicContact CG1-CE2 4.26Å; V246-F303 HydrophobicContact CG1-CZ 4.09Å; V246-V358 WeakPolarHBondContact CA-O 3.21Å; V246-M359 HydrophobicContact CG2-CB 4.49Å
247	V	93.9	Very high	88.7	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.8	175	-65.8	0	0	0	0	110.2	L283 V284 R357 V358 F360	V247-L283 WeakPolarHBondContact CA-O 3.39Å; V247-L283 WeakPolarHBondContact CB-O 3.1Å; V247-L283 WeakPolarHBondContact CG1-O 3.37Å; V247-V284 HydrophobicContact CG1-CB 4.47Å; V247-V284 HydrophobicContact CG1-CG1 4.39Å; V247-V284 HydrophobicContact CG1-CG2 4.13Å; V247-R357 WeakPolarHBondContact O-CA 3.5Å; V247-V358 HydrophobicContact CG2-CB 4.09Å; V247-V358 WeakPolarHBondContact CG2-O 3.31Å; V247-V358 PolarHBondContact N-O 3.12Å; V247-V358 PolarHBondContact O-N 3.43Å; V247-F360 HydrophobicContact CB-CE1 4.23Å; V247-F360 HydrophobicContact CG1-CE1 3.42Å; V247-F360 VanDerWaalsContact CG1-CE1 3.42Å; V247-F360 HydrophobicContact CG1-CZ 3.83Å; V247-F360 HydrophobicContact CG2-CD1 4.25Å; V247-F360 HydrophobicContact CG2-CE1 3.74Å
248	A	94.9	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.4	178.5	0	0	0	0	0	110.2	L250 L283 F303 S356 R357	A248-L250 HydrophobicContact CB-CD2 4.33Å; A248-L283 HydrophobicContact CB-CB 4.2Å; A248-L283 HydrophobicContact CB-CD2 4.2Å; A248-L283 PolarHBondContact O-N 3.31Å; A248-F303 HydrophobicContact CB-CE1 4.32Å; A248-S356 WeakPolarHBondContact CA-O 3.34Å; A248-R357 HydrophobicContact CB-CG 4.28Å
249	V	96.1	Very high	89.4	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.1	165.4	177.6	0	0	0	0	106.5	L276 K280 I352 G353 S356	V249-L276 HydrophobicContact CG1-CD1 4.22Å; V249-L276 HydrophobicContact CG2-CD1 4.5Å; V249-K280 HydrophobicContact CG1-CD 4.35Å; V249-I352 CarbonylContact O-C 3.51Å; V249-I352 WeakPolarHBondContact O-CA 3.34Å; V249-G353 PolarHBondContact O-N 3.4Å; V249-S356 PolarHBondContact N-OG 3.21Å
250	L	95.8	Very high	90	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.8	-179	-54.4	-179.1	0	0	0	109.4	A248 M273 K280 S281 L283 I307 V349 I352	A248-L250 HydrophobicContact CB-CD2 4.33Å; L250-M273 HydrophobicContact CD1-CE 3.93Å; L250-M273 HydrophobicContact CD1-CG 4.12Å; L250-M273 HydrophobicContact CD1-SD 4.43Å; L250-K280 WeakPolarHBondContact O-CA 3.41Å; L250-K280 WeakPolarHBondContact O-CB 3.43Å; L250-S281 WeakPolarHBondContact CB-O 3.45Å; L250-S281 PolarHBondContact N-O 3.37Å; L250-S281 PolarHBondContact O-N 3.38Å; L250-L283 HydrophobicContact CD1-CB 3.89Å; L250-L283 HydrophobicContact CD1-CD1 4.31Å; L250-L283 HydrophobicContact CD2-CB 3.96Å; L250-L283 HydrophobicContact CD2-CD2 4.35Å; L250-L283 HydrophobicContact CG-CB 3.9Å; L250-I307 HydrophobicContact CD2-CD1 3.76Å; L250-V349 HydrophobicContact CB-CG1 4.16Å; L250-V349 HydrophobicContact CB-CG2 4.36Å; L250-V349 HydrophobicContact CD1-CG2 3.92Å; L250-V349 HydrophobicContact CD2-CG1 4.2Å; L250-I352 HydrophobicContact CD2-CG2 4.27Å
251	H	96.3	Very high	90.7	Very high	62 Å²	62	37 Å²	37	29%	0.287	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.2	166.1	-65.7	158.2	0	0	0	108.7	K280 V349 A350 G351	H251-K280 WeakPolarHBondContact NE2-CE 3.26Å; H251-V349 WeakPolarHBondContact O-CA 3.41Å; H251-A350 PolarHBondContact O-N 3.27Å; H251-G351 PolarHBondContact N-O 3.02Å; H251-G351 PolarHBondContact O-N 3.05Å
252	L	96	Very high	91.7	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.073	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	145.4	177.9	-54.9	-175.7	0	0	0	109.6	E254 M273 T279 P347 S348	L252-E254 WeakPolarHBondContact CB-O 3.37Å; L252-E254 PolarHBondContact O-N 3.15Å; L252-M273 HydrophobicContact CD2-SD 4.09Å; L252-T279 PolarHBondContact N-O 2.74Å; L252-P347 HydrophobicContact CD1-CB 4.2Å; L252-P347 HydrophobicContact CD1-CG 4.03Å; L252-P347 HydrophobicContact CD2-CB 4.09Å; L252-P347 HydrophobicContact CD2-CG 3.8Å; L252-S348 WeakPolarHBondContact CA-O 3.16Å
253	S	93.4	Very high	92.1	Very high	53 Å²	53	31.7 Å²	31.7	37%	0.371	17%	0.169	S	C	.	.	S	Bend	trans	-63.5	-32.6	177.3	-50	0	0	0	0	112.3	S348 A350	S253-S348 WeakPolarHBondContact CB-OG 3.23Å; S253-S348 PolarHBondContact N-O 3.39Å; S253-S348 PolarHBondContact OG-O 2.95Å; S253-S348 PolarHBondContact OG-OG 3.07Å; S253-A350 PolarHBondContact OG-N 3.16Å
254	E	91.1	Very high	92.3	Very high	142 Å²	142	31.1 Å²	31.1	66%	0.664	17%	0.166	S	C	*	.	S	Bend	trans	-135.2	143.3	178.9	-63.1	-177.3	175.9	0	0	110.1	L252 T256	L252-E254 WeakPolarHBondContact CB-O 3.37Å; L252-E254 PolarHBondContact O-N 3.15Å; E254-T256 PolarHBondContact O-N 3.08Å
255	P	91.1	Very high	92.2	Very high	102 Å²	102	31.3 Å²	31.3	66%	0.662	17%	0.167	S	C	*	.			trans	-60.9	134.4	169.5	-18.5	30.2	0	0	0	111	D278 T279	P255-D278 CarbonylContact C-O 3.53Å; P255-D278 WeakPolarHBondContact CA-O 3.03Å; P255-T279 HydrophobicContact CB-CG2 3.94Å; P255-T279 HydrophobicContact CG-CG2 3.94Å
256	T	89.9	Confident	92	Very high	54 Å²	54	31.8 Å²	31.8	33%	0.331	17%	0.169	S	C	.	.			trans	-132.6	167.9	175	67.7	0	0	0	0	109.7	E254 N258 D278 P347	E254-T256 PolarHBondContact O-N 3.08Å; T256-N258 PolarHBondContact O-N 3.22Å; T256-N258 WeakPolarHBondContact OG1-CA 3.48Å; T256-N258 WeakPolarHBondContact OG1-CB 3.48Å; T256-N258 PolarHBondContact OG1-N 2.7Å; T256-N258 VanDerWaalsContact OG1-N 3.15Å; T256-D278 PolarHBondContact N-O 3.49Å; T256-D278 WeakPolarHBondContact O-CA 3.45Å; T256-D278 WeakPolarHBondContact O-CB 3.38Å; T256-P347 HydrophobicContact CG2-CB 4.42Å
257	E	88.9	Confident	91.4	Very high	145 Å²	145	33.2 Å²	33.2	68%	0.678	18%	0.178	S	C	*	.			trans	-56.1	-24.5	168.6	-67.4	-172.7	172.9	0	0	112.3	K126 N259	K126-E257 WeakPolarHBondContact CE-O 3.43Å; K126-E257 PolarHBondContact NZ-O 3.22Å; E257-N259 VanDerWaalsContact C-N 3.31Å; E257-N259 PolarHBondContact O-N 3.35Å; E257-N259 PolarHBondContact OE2-ND2 2.9Å
258	N	91.1	Very high	91	Very high	6 Å²	6	36 Å²	36	3%	0.032	20%	0.196	C	C	.	.			trans	42.7	54.5	179.6	-156.5	17.7	0	0	0	112.4	K126 T256 P275 S277 K280 S281	K126-N258 WeakPolarHBondContact CE-O 3.34Å; T256-N258 PolarHBondContact O-N 3.22Å; T256-N258 WeakPolarHBondContact OG1-CA 3.48Å; T256-N258 WeakPolarHBondContact OG1-CB 3.48Å; T256-N258 PolarHBondContact OG1-N 2.7Å; T256-N258 VanDerWaalsContact OG1-N 3.15Å; N258-P275 HydrophobicContact CB-CB 4.27Å; N258-P275 WeakPolarHBondContact ND2-CA 3.39Å; N258-P275 WeakPolarHBondContact O-CB 3.44Å; N258-S277 WeakPolarHBondContact CB-O 3.22Å; N258-S277 PolarHBondContact ND2-O 3.44Å; N258-K280 PolarHBondContact ND2-O 3.07Å; N258-S281 PolarHBondContact ND2-OG 2.84Å
259	N	90.4	Very high	90.6	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	20%	0.197	C	C	.	.			trans	-109.9	14.1	-177.4	61.5	4.3	0	0	0	112.9	Y128 K129 R130 E257	Y128-N259 WeakPolarHBondContact CB-O 3.44Å; K129-N259 PolarHBondContact N-O 2.92Å; R130-N259 PolarHBondContact N-O 2.98Å; E257-N259 VanDerWaalsContact C-N 3.31Å; E257-N259 PolarHBondContact O-N 3.35Å; E257-N259 PolarHBondContact OE2-ND2 2.9Å
260	V	90	Very high	90.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.3	179.8	-171.3	0	0	0	0	109.3	R130 Q132 W262	R130-V260 HydrophobicContact CB-CB 4.48Å; R130-V260 HydrophobicContact CB-CG1 4.19Å; R130-V260 HydrophobicContact CB-CG2 4.13Å; R130-V260 HydrophobicContact CG-CG1 4.08Å; R130-V260 HydrophobicContact CG-CG2 4.48Å; R130-V260 CarbonylContact O-C 3.52Å; R130-V260 VanDerWaalsContact O-CA 3.31Å; R130-V260 WeakPolarHBondContact O-CA 3.45Å; Q132-V260 HydrophobicContact CB-CG1 4.36Å; Q132-V260 HydrophobicContact CG-CG1 4.36Å; V260-W262 HydrophobicContact CB-CD2 4.33Å; V260-W262 HydrophobicContact CB-CH2 4.14Å; V260-W262 HydrophobicContact CB-CZ2 3.54Å; V260-W262 HydrophobicContact CG1-CD2 3.84Å; V260-W262 HydrophobicContact CG1-CE3 3.98Å; V260-W262 HydrophobicContact CG1-CH2 3.81Å; V260-W262 HydrophobicContact CG1-CZ2 3.64Å; V260-W262 HydrophobicContact CG1-CZ3 3.96Å; V260-W262 HydrophobicContact CG2-CH2 4.34Å; V260-W262 HydrophobicContact CG2-CZ2 3.95Å; V260-W262 PolarHBondContact O-NE1 3.09Å
261	A	91.3	Very high	90.2	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.4	164.9	0	0	0	0	0	109.4	Y128 R130 M131 Q132 L274	Y128-A261 HydrophobicContact CD2-CB 3.82Å; Y128-A261 HydrophobicContact CE2-CB 3.65Å; Y128-A261 HydrophobicContact CG-CB 4.35Å; R130-A261 PolarHBondContact O-N 3.48Å; M131-A261 CarbonylContact C-O 3.58Å; M131-A261 VanDerWaalsContact CA-O 3.27Å; M131-A261 WeakPolarHBondContact CA-O 3.37Å; M131-A261 HydrophobicContact CB-CB 4.33Å; M131-A261 HydrophobicContact CG-CB 4.14Å; Q132-A261 PolarHBondContact N-O 3.47Å; A261-L274 HydrophobicContact CB-CD2 4.05Å
262	W	91.6	Very high	90	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.1	-177.7	-50.9	94.4	0	0	0	110.1	Q132 W134 V260 A272 M273 F311 Q344 L345 P346	Q132-W262 HydrophobicContact CB-CE3 3.83Å; Q132-W262 HydrophobicContact CB-CZ3 3.92Å; Q132-W262 HydrophobicContact CG-CZ3 4.25Å; W134-W262 HydrophobicContact CH2-CB 4.07Å; W134-W262 HydrophobicContact CH2-CE3 4.15Å; W134-W262 HydrophobicContact CZ3-CB 4.04Å; W134-W262 AromaticContact CZ3-CE3 3.87Å; W134-W262 HydrophobicContact CZ3-CE3 3.87Å; V260-W262 HydrophobicContact CB-CD2 4.33Å; V260-W262 HydrophobicContact CB-CH2 4.14Å; V260-W262 HydrophobicContact CB-CZ2 3.54Å; V260-W262 HydrophobicContact CG1-CD2 3.84Å; V260-W262 HydrophobicContact CG1-CE3 3.98Å; V260-W262 HydrophobicContact CG1-CH2 3.81Å; V260-W262 HydrophobicContact CG1-CZ2 3.64Å; V260-W262 HydrophobicContact CG1-CZ3 3.96Å; V260-W262 HydrophobicContact CG2-CH2 4.34Å; V260-W262 HydrophobicContact CG2-CZ2 3.95Å; V260-W262 PolarHBondContact O-NE1 3.09Å; W262-A272 CarbonylContact O-C 3.55Å; W262-A272 WeakPolarHBondContact O-CA 3.25Å; W262-M273 HydrophobicContact CB-CB 4.19Å; W262-M273 PolarHBondContact N-O 3.12Å; W262-M273 PolarHBondContact O-N 3.04Å; W262-F311 HydrophobicContact CB-CE1 4.39Å; W262-Q344 HydrophobicContact CH2-CB 3.77Å; W262-Q344 HydrophobicContact CH2-CG 3.74Å; W262-Q344 HydrophobicContact CZ3-CB 4.24Å; W262-Q344 VanDerWaalsContact CZ3-O 3.24Å; W262-Q344 WeakPolarHBondContact CZ3-O 3.42Å; W262-L345 WeakPolarHBondContact CH2-O 3.38Å; W262-P346 HydrophobicContact CB-CB 4.47Å; W262-P346 HydrophobicContact CD2-CB 3.81Å; W262-P346 HydrophobicContact CE3-CB 4.08Å; W262-P346 HydrophobicContact CG-CB 3.98Å
263	Q	91	Very high	89.9	Confident	17 Å²	17	33.2 Å²	33.2	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	125.4	171.7	-171.5	174.5	-70.8	0	0	110.3	Q132 V133 W134 I271 A272	Q132-Q263 PolarHBondContact O-N 3.29Å; V133-Q263 CarbonylContact C-O 3.52Å; V133-Q263 WeakPolarHBondContact CA-O 3.22Å; V133-Q263 HydrophobicContact CG1-CB 4.39Å; V133-Q263 HydrophobicContact CG2-CB 4.26Å; W134-Q263 VanDerWaalsContact CE3-O 3.22Å; W134-Q263 PolarHBondContact N-O 3.43Å; Q263-I271 CarbonylContact C-O 3.59Å; Q263-I271 WeakPolarHBondContact CA-O 3.41Å; Q263-A272 HydrophobicContact CB-CB 4.45Å; Q263-A272 HydrophobicContact CG-CB 4.33Å
264	R	89.3	Confident	90	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134	173.5	-172.9	179.9	-173.1	-173.1	3	109.8	W134 L266 P270 I271 A310 F311 S313	W134-R264 HydrophobicContact CD2-CB 4.13Å; W134-R264 HydrophobicContact CD2-CG 4.24Å; W134-R264 HydrophobicContact CG-CG 4.34Å; W134-R264 HydrophobicContact CH2-CB 4.22Å; W134-R264 HydrophobicContact CZ2-CB 3.72Å; W134-R264 HydrophobicContact CZ2-CG 4.11Å; W134-R264 VanDerWaalsContact NE1-CG 3.34Å; W134-R264 CarbonylContact O-C 3.56Å; W134-R264 WeakPolarHBondContact O-CA 3.24Å; R264-L266 HydrophobicContact CG-CD2 4.09Å; R264-P270 CarbonylContact O-C 3.58Å; R264-P270 VanDerWaalsContact O-CA 3.31Å; R264-P270 WeakPolarHBondContact O-CA 3.36Å; R264-I271 HydrophobicContact CB-CG2 3.81Å; R264-I271 PolarHBondContact N-O 3.16Å; R264-I271 PolarHBondContact O-N 3.1Å; R264-A310 VanDerWaalsContact CD-O 3.23Å; R264-A310 WeakPolarHBondContact CD-O 3.38Å; R264-A310 PolarHBondContact NH1-O 2.79Å; R264-F311 HydrophobicContact CB-CD1 4.45Å; R264-F311 VanDerWaalsContact NH1-C 3.31Å; R264-F311 PolarHBondContact NH1-O 3.31Å; R264-S313 VanDerWaalsContact CZ-O 3.31Å; R264-S313 PolarHBondContact NH1-O 2.83Å; R264-S313 PolarHBondContact NH2-O 3.01Å
265	F	87.4	Confident	90.1	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.022	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.8	170.7	-73.6	-77.5	0	0	0	110	V133 W134 A136 P270 L388 Y448	V133-F265 HydrophobicContact CG1-CD2 3.92Å; V133-F265 HydrophobicContact CG1-CE2 3.48Å; V133-F265 VanDerWaalsContact CG1-CE2 3.48Å; W134-F265 PolarHBondContact O-N 2.72Å; A136-F265 WeakPolarHBondContact CB-O 3.44Å; A136-F265 PolarHBondContact N-O 2.94Å; F265-P270 HydrophobicContact CD1-CB 3.83Å; F265-P270 HydrophobicContact CE1-CB 3.95Å; F265-P270 HydrophobicContact CE1-CG 4.42Å; F265-L388 HydrophobicContact CE1-CD2 3.84Å; F265-L388 HydrophobicContact CZ-CD2 3.97Å; F265-Y448 HydrophobicContact CB-CD1 3.46Å; F265-Y448 VanDerWaalsContact CB-CD1 3.46Å; F265-Y448 HydrophobicContact CB-CE1 4.26Å; F265-Y448 HydrophobicContact CB-CG 3.79Å; F265-Y448 HydrophobicContact CD1-CD1 4.07Å; F265-Y448 AromaticContact CD1-CD2 3.86Å; F265-Y448 HydrophobicContact CD1-CD2 3.86Å; F265-Y448 AromaticContact CD1-CG 3.49Å; F265-Y448 HydrophobicContact CD1-CG 3.49Å; F265-Y448 VanDerWaalsContact CD1-CG 3.49Å; F265-Y448 AromaticContact CD2-CD1 3.74Å; F265-Y448 HydrophobicContact CD2-CD1 3.74Å; F265-Y448 AromaticContact CD2-CD2 3.94Å; F265-Y448 HydrophobicContact CD2-CD2 3.94Å; F265-Y448 AromaticContact CD2-CE1 3.93Å; F265-Y448 HydrophobicContact CD2-CE1 3.93Å; F265-Y448 HydrophobicContact CD2-CE2 4.16Å; F265-Y448 AromaticContact CD2-CG 3.8Å; F265-Y448 HydrophobicContact CD2-CG 3.8Å; F265-Y448 AromaticContact CE1-CD2 3.79Å; F265-Y448 HydrophobicContact CE1-CD2 3.79Å; F265-Y448 AromaticContact CE1-CG 3.92Å; F265-Y448 HydrophobicContact CE1-CG 3.92Å; F265-Y448 HydrophobicContact CE2-CD1 4.46Å; F265-Y448 AromaticContact CE2-CD2 3.86Å; F265-Y448 HydrophobicContact CE2-CD2 3.86Å; F265-Y448 AromaticContact CE2-CE2 3.96Å; F265-Y448 HydrophobicContact CE2-CE2 3.96Å; F265-Y448 HydrophobicContact CE2-CG 4.19Å; F265-Y448 AromaticContact CG-CD1 3.49Å; F265-Y448 HydrophobicContact CG-CD1 3.49Å; F265-Y448 VanDerWaalsContact CG-CD1 3.49Å; F265-Y448 AromaticContact CG-CD2 3.93Å; F265-Y448 HydrophobicContact CG-CD2 3.93Å; F265-Y448 HydrophobicContact CG-CE1 4.17Å; F265-Y448 AromaticContact CG-CG 3.41Å; F265-Y448 HydrophobicContact CG-CG 3.41Å; F265-Y448 VanDerWaalsContact CG-CG 3.41Å; F265-Y448 AromaticContact CZ-CD2 3.78Å; F265-Y448 HydrophobicContact CZ-CD2 3.78Å; F265-Y448 HydrophobicContact CZ-CE2 4.21Å; F265-Y448 HydrophobicContact CZ-CG 4.25Å
266	L	87.8	Confident	90.3	Very high	11 Å²	11	20 Å²	20	6%	0.058	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	158.9	171.2	-49.8	172.4	0	0	0	110	A136 R264 T268 G269 I271 W285 A310	A136-L266 HydrophobicContact CB-CD2 3.88Å; R264-L266 HydrophobicContact CG-CD2 4.09Å; L266-T268 PolarHBondContact O-N 2.83Å; L266-T268 VanDerWaalsContact O-N 3.15Å; L266-G269 WeakPolarHBondContact CB-O 3.2Å; L266-G269 PolarHBondContact N-O 2.94Å; L266-G269 PolarHBondContact O-N 2.57Å; L266-I271 HydrophobicContact CD1-CB 4.31Å; L266-I271 HydrophobicContact CD1-CG2 3.93Å; L266-I271 HydrophobicContact CG-CG2 4.08Å; L266-W285 HydrophobicContact CD1-CZ2 4.13Å; L266-A310 HydrophobicContact CD1-CB 4.01Å; L266-A310 WeakPolarHBondContact CD2-O 3.37Å
267	P	82.6	Confident	90.6	Very high	29 Å²	29	18.5 Å²	18.5	19%	0.188	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.8	168.5	-30.3	38.2	0	0	0	113.6	G269 N316 N451	P267-G269 VanDerWaalsContact C-N 3.34Å; P267-N316 HydrophobicContact CG-CB 4.36Å; P267-N451 WeakPolarHBondContact CB-OD1 3.47Å
268	T	85.4	Confident	90.9	Very high	63 Å²	63	15.5 Å²	15.5	39%	0.387	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.2	-179.1	56.5	0	0	0	0	113.6	Q243 L266 T287 L291	Q243-T268 PolarHBondContact NE2-O 3.19Å; L266-T268 PolarHBondContact O-N 2.83Å; L266-T268 VanDerWaalsContact O-N 3.15Å; T268-T287 WeakPolarHBondContact O-CA 3.41Å; T268-T287 PolarHBondContact O-OG1 3.22Å; T268-L291 HydrophobicContact CG2-CD2 4.12Å
269	G	86.7	Confident	91.1	Very high	3 Å²	3	18.2 Å²	18.2	3%	0.031	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.4	168.7	-179.1	0	0	0	0	0	113.2	L266 P267 S286	L266-G269 WeakPolarHBondContact CB-O 3.2Å; L266-G269 PolarHBondContact N-O 2.94Å; L266-G269 PolarHBondContact O-N 2.57Å; P267-G269 VanDerWaalsContact C-N 3.34Å; G269-S286 CarbonylContact C-O 3.49Å; G269-S286 VanDerWaalsContact C-O 3.28Å; G269-S286 VanDerWaalsContact CA-O 3.25Å; G269-S286 WeakPolarHBondContact CA-O 3.37Å
270	P	89.7	Confident	91.3	Very high	11 Å²	11	19.2 Å²	19.2	7%	0.071	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.8	-176.2	28.2	-34.4	0	0	0	112.5	R264 F265 S286 L388	R264-P270 CarbonylContact O-C 3.58Å; R264-P270 VanDerWaalsContact O-CA 3.31Å; R264-P270 WeakPolarHBondContact O-CA 3.36Å; F265-P270 HydrophobicContact CD1-CB 3.83Å; F265-P270 HydrophobicContact CE1-CB 3.95Å; F265-P270 HydrophobicContact CE1-CG 4.42Å; P270-S286 PolarHBondContact O-N 3.25Å; P270-L388 HydrophobicContact CB-CD2 4.19Å; P270-L388 HydrophobicContact CG-CD2 3.97Å
271	I	92.4	Very high	91.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.6	168.2	-170.7	176.6	0	0	0	109.1	Q263 R264 L266 L283 W285 A310 F311	Q263-I271 CarbonylContact C-O 3.59Å; Q263-I271 WeakPolarHBondContact CA-O 3.41Å; R264-I271 HydrophobicContact CB-CG2 3.81Å; R264-I271 PolarHBondContact N-O 3.16Å; R264-I271 PolarHBondContact O-N 3.1Å; L266-I271 HydrophobicContact CD1-CB 4.31Å; L266-I271 HydrophobicContact CD1-CG2 3.93Å; L266-I271 HydrophobicContact CG-CG2 4.08Å; I271-L283 HydrophobicContact CD1-CD1 3.98Å; I271-L283 HydrophobicContact CG1-CD1 3.77Å; I271-W285 HydrophobicContact CB-CG 4.13Å; I271-W285 HydrophobicContact CD1-CB 4.49Å; I271-W285 HydrophobicContact CD1-CD2 3.69Å; I271-W285 HydrophobicContact CD1-CE3 3.75Å; I271-W285 HydrophobicContact CD1-CG 4.04Å; I271-W285 HydrophobicContact CD1-CZ3 4.2Å; I271-W285 HydrophobicContact CG1-CB 4.03Å; I271-W285 HydrophobicContact CG1-CD2 4.08Å; I271-W285 HydrophobicContact CG1-CG 3.86Å; I271-A310 HydrophobicContact CD1-CB 3.68Å; I271-F311 HydrophobicContact CB-CZ 4.38Å; I271-F311 HydrophobicContact CD1-CD2 3.95Å; I271-F311 HydrophobicContact CD1-CE2 3.5Å; I271-F311 VanDerWaalsContact CD1-CE2 3.5Å; I271-F311 HydrophobicContact CD1-CZ 3.93Å; I271-F311 HydrophobicContact CG1-CE1 4.41Å; I271-F311 HydrophobicContact CG1-CE2 3.76Å; I271-F311 HydrophobicContact CG1-CZ 3.66Å; I271-F311 HydrophobicContact CG2-CD1 4.37Å; I271-F311 HydrophobicContact CG2-CE1 4Å; I271-F311 HydrophobicContact CG2-CZ 4.1Å
272	A	92.8	Very high	91.8	Very high	8 Å²	8	19 Å²	19	7%	0.066	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.1	-179.5	0	0	0	0	0	111.9	W262 Q263 L283 V284	W262-A272 CarbonylContact O-C 3.55Å; W262-A272 WeakPolarHBondContact O-CA 3.25Å; Q263-A272 HydrophobicContact CB-CB 4.45Å; Q263-A272 HydrophobicContact CG-CB 4.33Å; A272-L283 WeakPolarHBondContact O-CA 3.47Å; A272-V284 HydrophobicContact CB-CB 4.41Å; A272-V284 PolarHBondContact N-O 3.5Å; A272-V284 PolarHBondContact O-N 3Å
273	M	94.5	Very high	92	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.7	174.9	-176	-176.2	-54.1	0	0	108.5	L250 L252 W262 S281 S282 F311 P347 V349	L250-M273 HydrophobicContact CD1-CE 3.93Å; L250-M273 HydrophobicContact CD1-CG 4.12Å; L250-M273 HydrophobicContact CD1-SD 4.43Å; L252-M273 HydrophobicContact CD2-SD 4.09Å; W262-M273 HydrophobicContact CB-CB 4.19Å; W262-M273 PolarHBondContact N-O 3.12Å; W262-M273 PolarHBondContact O-N 3.04Å; M273-S281 VanDerWaalsContact CG-CB 3.43Å; M273-S282 WeakPolarHBondContact CA-O 3.31Å; M273-F311 HydrophobicContact CB-CE1 4.36Å; M273-F311 HydrophobicContact CB-CE2 4.19Å; M273-F311 HydrophobicContact CB-CZ 3.68Å; M273-F311 HydrophobicContact CE-CD2 3.84Å; M273-F311 HydrophobicContact CE-CE2 3.57Å; M273-F311 HydrophobicContact CE-CZ 4.1Å; M273-P347 HydrophobicContact SD-CG 3.85Å; M273-V349 HydrophobicContact CE-CG2 3.75Å
274	L	94.1	Very high	92.1	Very high	10 Å²	10	18.9 Å²	18.9	5%	0.052	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.5	-174.2	-54.2	178.6	0	0	0	110.3	V100 I156 A261 S281 S282 V284	V100-L274 HydrophobicContact CG2-CD1 4.42Å; I156-L274 HydrophobicContact CD1-CB 4.03Å; I156-L274 HydrophobicContact CD1-CD1 4.24Å; I156-L274 HydrophobicContact CG1-CB 4.17Å; A261-L274 HydrophobicContact CB-CD2 4.05Å; L274-S281 CarbonylContact O-C 3.59Å; L274-S281 WeakPolarHBondContact O-CA 3.49Å; L274-S281 VanDerWaalsContact O-CB 3.26Å; L274-S281 WeakPolarHBondContact O-CB 3.32Å; L274-S282 PolarHBondContact N-O 2.79Å; L274-S282 PolarHBondContact O-N 2.92Å; L274-V284 HydrophobicContact CD1-CG2 4.37Å
275	P	94.8	Very high	92.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.6	-173.3	26.8	-34.1	0	0	0	112.8	K126 Y128 I156 N258	K126-P275 HydrophobicContact CG-CB 3.91Å; K126-P275 HydrophobicContact CG-CG 4.42Å; Y128-P275 HydrophobicContact CD1-CG 4.32Å; Y128-P275 HydrophobicContact CG-CG 4.22Å; I156-P275 VanDerWaalsContact CB-O 3.23Å; I156-P275 WeakPolarHBondContact CB-O 3.3Å; I156-P275 HydrophobicContact CG1-CG 4.22Å; I156-P275 VanDerWaalsContact CG1-O 3.31Å; I156-P275 WeakPolarHBondContact CG1-O 3.23Å; N258-P275 HydrophobicContact CB-CB 4.27Å; N258-P275 WeakPolarHBondContact ND2-CA 3.39Å; N258-P275 WeakPolarHBondContact O-CB 3.44Å
276	L	95.1	Very high	92.6	Very high	8 Å²	8	19.3 Å²	19.3	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-33.1	176.4	-65.5	177.2	0	0	0	113.4	Y96 V100 K126 I156 V249 K280	Y96-L276 HydrophobicContact CD1-CB 4Å; Y96-L276 HydrophobicContact CD1-CD1 3.83Å; Y96-L276 HydrophobicContact CD1-CD2 4.08Å; Y96-L276 HydrophobicContact CD1-CG 4.2Å; Y96-L276 HydrophobicContact CE1-CB 3.63Å; Y96-L276 HydrophobicContact CE1-CD1 4.35Å; Y96-L276 HydrophobicContact CE1-CD2 4.24Å; Y96-L276 HydrophobicContact CE1-CG 4.29Å; Y96-L276 HydrophobicContact CG-CD1 4.02Å; Y96-L276 PolarHBondContact OH-O 3.3Å; V100-L276 HydrophobicContact CG1-CD2 3.88Å; K126-L276 WeakPolarHBondContact CB-O 3.26Å; I156-L276 HydrophobicContact CG2-CD2 3.57Å; V249-L276 HydrophobicContact CG1-CD1 4.22Å; V249-L276 HydrophobicContact CG2-CD1 4.5Å; L276-K280 WeakPolarHBondContact CA-O 3.44Å; L276-K280 HydrophobicContact CB-CB 4.33Å; L276-K280 WeakPolarHBondContact CB-O 3.44Å; L276-K280 PolarHBondContact N-O 3.42Å
277	S	95.3	Very high	92.8	Very high	24 Å²	24	18.8 Å²	18.8	17%	0.168	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-179.8	173.4	60.4	0	0	0	0	108.4	Y96 N258 T279 K280	Y96-S277 WeakPolarHBondContact OH-CB 3.38Å; N258-S277 WeakPolarHBondContact CB-O 3.22Å; N258-S277 PolarHBondContact ND2-O 3.44Å; S277-T279 PolarHBondContact O-N 3.45Å; S277-T279 VanDerWaalsContact O-N 3.1Å; S277-K280 PolarHBondContact N-O 2.99Å; S277-K280 PolarHBondContact O-N 3.46Å; S277-K280 WeakPolarHBondContact OG-CB 3.37Å; S277-K280 PolarHBondContact OG-N 3.08Å
278	D	94.8	Very high	93.2	Very high	82 Å²	82	19.9 Å²	19.9	44%	0.439	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.9	-179.5	-61.2	0.7	0	0	0	112.9	K126 P255 T256	K126-D278 IonicContact NZ-OD1 3.58Å; K126-D278 PolarHBondContact NZ-OD1 3.31Å; P255-D278 CarbonylContact C-O 3.53Å; P255-D278 WeakPolarHBondContact CA-O 3.03Å; T256-D278 PolarHBondContact N-O 3.49Å; T256-D278 WeakPolarHBondContact O-CA 3.45Å; T256-D278 WeakPolarHBondContact O-CB 3.38Å
279	T	95.6	Very high	93.5	Very high	63 Å²	63	20 Å²	20	39%	0.387	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-3.6	-178.3	57.7	0	0	0	0	114.2	L252 P255 S277	L252-T279 PolarHBondContact N-O 2.74Å; P255-T279 HydrophobicContact CB-CG2 3.94Å; P255-T279 HydrophobicContact CG-CG2 3.94Å; S277-T279 PolarHBondContact O-N 3.45Å; S277-T279 VanDerWaalsContact O-N 3.1Å
280	K	96	Very high	93.8	Very high	52 Å²	52	25.4 Å²	25.4	23%	0.226	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.7	-174.5	-50.9	-171.6	179.7	161.4	0	113	Y96 V249 L250 H251 N258 L276 S277	Y96-K280 HydrophobicContact CD2-CD 3.91Å; Y96-K280 HydrophobicContact CE2-CD 3.87Å; V249-K280 HydrophobicContact CG1-CD 4.35Å; L250-K280 WeakPolarHBondContact O-CA 3.41Å; L250-K280 WeakPolarHBondContact O-CB 3.43Å; H251-K280 WeakPolarHBondContact NE2-CE 3.26Å; N258-K280 PolarHBondContact ND2-O 3.07Å; L276-K280 WeakPolarHBondContact CA-O 3.44Å; L276-K280 HydrophobicContact CB-CB 4.33Å; L276-K280 WeakPolarHBondContact CB-O 3.44Å; L276-K280 PolarHBondContact N-O 3.42Å; S277-K280 PolarHBondContact N-O 2.99Å; S277-K280 PolarHBondContact O-N 3.46Å; S277-K280 WeakPolarHBondContact OG-CB 3.37Å; S277-K280 PolarHBondContact OG-N 3.08Å
281	S	96.2	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.2	175	-66.3	0	0	0	0	111.3	L250 N258 M273 L274	L250-S281 WeakPolarHBondContact CB-O 3.45Å; L250-S281 PolarHBondContact N-O 3.37Å; L250-S281 PolarHBondContact O-N 3.38Å; N258-S281 PolarHBondContact ND2-OG 2.84Å; M273-S281 VanDerWaalsContact CG-CB 3.43Å; L274-S281 CarbonylContact O-C 3.59Å; L274-S281 WeakPolarHBondContact O-CA 3.49Å; L274-S281 VanDerWaalsContact O-CB 3.26Å; L274-S281 WeakPolarHBondContact O-CB 3.32Å
282	S	95.3	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	171.1	-173.4	0	0	0	0	109.3	V100 M273 L274	V100-S282 WeakPolarHBondContact CG2-OG 3.28Å; M273-S282 WeakPolarHBondContact CA-O 3.31Å; L274-S282 PolarHBondContact N-O 2.79Å; L274-S282 PolarHBondContact O-N 2.92Å
283	L	95.3	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139	168.8	-178.9	65.7	0	0	0	110.2	V247 A248 L250 I271 A272 W285 F303 I307 F311	V247-L283 WeakPolarHBondContact CA-O 3.39Å; V247-L283 WeakPolarHBondContact CB-O 3.1Å; V247-L283 WeakPolarHBondContact CG1-O 3.37Å; A248-L283 HydrophobicContact CB-CB 4.2Å; A248-L283 HydrophobicContact CB-CD2 4.2Å; A248-L283 PolarHBondContact O-N 3.31Å; L250-L283 HydrophobicContact CD1-CB 3.89Å; L250-L283 HydrophobicContact CD1-CD1 4.31Å; L250-L283 HydrophobicContact CD2-CB 3.96Å; L250-L283 HydrophobicContact CD2-CD2 4.35Å; L250-L283 HydrophobicContact CG-CB 3.9Å; I271-L283 HydrophobicContact CD1-CD1 3.98Å; I271-L283 HydrophobicContact CG1-CD1 3.77Å; A272-L283 WeakPolarHBondContact O-CA 3.47Å; L283-W285 HydrophobicContact CD1-CB 4.26Å; L283-W285 HydrophobicContact CD2-CB 4.42Å; L283-W285 HydrophobicContact CG-CB 4.29Å; L283-F303 HydrophobicContact CD2-CE1 4.39Å; L283-F303 HydrophobicContact CD2-CZ 3.92Å; L283-I307 HydrophobicContact CD2-CD1 3.87Å; L283-I307 HydrophobicContact CD2-CG1 4.13Å; L283-F311 HydrophobicContact CD1-CE2 4.47Å
284	V	93.4	Very high	94.1	Very high	22 Å²	22	35.7 Å²	35.7	13%	0.133	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	101.9	159.8	-174.1	0	0	0	0	108	A245 V247 A272 L274	A245-V284 HydrophobicContact CB-CG1 4.25Å; V247-V284 HydrophobicContact CG1-CB 4.47Å; V247-V284 HydrophobicContact CG1-CG1 4.39Å; V247-V284 HydrophobicContact CG1-CG2 4.13Å; A272-V284 HydrophobicContact CB-CB 4.41Å; A272-V284 PolarHBondContact N-O 3.5Å; A272-V284 PolarHBondContact O-N 3Å; L274-V284 HydrophobicContact CD1-CG2 4.37Å
285	W	93.9	Very high	94.2	Very high	15 Å²	15	35.5 Å²	35.5	6%	0.057	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.6	178.6	-166.9	-11.5	0	0	0	110.1	A245 V246 L266 I271 L283 L295 A306 I307 A310	A245-W285 CarbonylContact C-O 3.6Å; A245-W285 VanDerWaalsContact CA-O 3.31Å; A245-W285 WeakPolarHBondContact CA-O 3.3Å; V246-W285 HydrophobicContact CB-CB 4.38Å; V246-W285 PolarHBondContact N-O 2.66Å; V246-W285 PolarHBondContact O-N 3.01Å; L266-W285 HydrophobicContact CD1-CZ2 4.13Å; I271-W285 HydrophobicContact CB-CG 4.13Å; I271-W285 HydrophobicContact CD1-CB 4.49Å; I271-W285 HydrophobicContact CD1-CD2 3.69Å; I271-W285 HydrophobicContact CD1-CE3 3.75Å; I271-W285 HydrophobicContact CD1-CG 4.04Å; I271-W285 HydrophobicContact CD1-CZ3 4.2Å; I271-W285 HydrophobicContact CG1-CB 4.03Å; I271-W285 HydrophobicContact CG1-CD2 4.08Å; I271-W285 HydrophobicContact CG1-CG 3.86Å; L283-W285 HydrophobicContact CD1-CB 4.26Å; L283-W285 HydrophobicContact CD2-CB 4.42Å; L283-W285 HydrophobicContact CG-CB 4.29Å; W285-L295 HydrophobicContact CD2-CD1 3.92Å; W285-L295 HydrophobicContact CE3-CD1 3.8Å; W285-L295 HydrophobicContact CE3-CD2 4.35Å; W285-L295 HydrophobicContact CH2-CD1 4.23Å; W285-L295 HydrophobicContact CH2-CD2 3.99Å; W285-L295 HydrophobicContact CZ2-CD1 4.33Å; W285-L295 HydrophobicContact CZ3-CD1 3.97Å; W285-L295 HydrophobicContact CZ3-CD2 3.75Å; W285-A306 HydrophobicContact CH2-CB 4.36Å; W285-A306 HydrophobicContact CZ3-CB 4.4Å; W285-I307 HydrophobicContact CE3-CG1 4.29Å; W285-I307 HydrophobicContact CZ3-CG1 4.04Å; W285-A310 HydrophobicContact CH2-CB 3.67Å; W285-A310 HydrophobicContact CZ2-CB 3.78Å; W285-A310 HydrophobicContact CZ3-CB 4.31Å
286	S	91.9	Very high	94.1	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.1	175.8	-53.1	0	0	0	0	109.3	S244 G269 P270 L362	S244-S286 WeakPolarHBondContact O-CA 3.47Å; G269-S286 CarbonylContact C-O 3.49Å; G269-S286 VanDerWaalsContact C-O 3.28Å; G269-S286 VanDerWaalsContact CA-O 3.25Å; G269-S286 WeakPolarHBondContact CA-O 3.37Å; P270-S286 PolarHBondContact O-N 3.25Å; S286-L362 WeakPolarHBondContact OG-CD1 3.25Å
287	T	92.2	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	179	179.5	-163.4	0	0	0	0	111.9	Q243 S244 T268 L291 A292 L295	Q243-T287 CarbonylContact C-O 3.49Å; Q243-T287 WeakPolarHBondContact CA-O 3.49Å; Q243-T287 WeakPolarHBondContact CB-O 3.35Å; Q243-T287 WeakPolarHBondContact CG-O 3.41Å; S244-T287 PolarHBondContact N-O 2.75Å; S244-T287 PolarHBondContact O-N 3.23Å; S244-T287 VanDerWaalsContact O-O 3.12Å; T268-T287 WeakPolarHBondContact O-CA 3.41Å; T268-T287 PolarHBondContact O-OG1 3.22Å; T287-L291 HydrophobicContact CG2-CB 3.97Å; T287-L291 HydrophobicContact CG2-CD2 4.38Å; T287-L291 HydrophobicContact CG2-CG 4.02Å; T287-L291 WeakPolarHBondContact OG1-CD2 3.5Å; T287-A292 HydrophobicContact CG2-CB 3.95Å; T287-L295 HydrophobicContact CG2-CD1 4.18Å
288	S	92	Very high	94.1	Very high	51 Å²	51	47.5 Å²	47.5	36%	0.357	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	153.6	177.6	69.5	0	0	0	0	111	H290 L291 A292	S288-H290 VanDerWaalsContact C-N 3.26Å; S288-H290 PolarHBondContact O-N 2.94Å; S288-L291 PolarHBondContact O-N 3.28Å; S288-L291 WeakPolarHBondContact OG-CB 3.48Å; S288-L291 PolarHBondContact OG-N 3.39Å; S288-A292 WeakPolarHBondContact O-CB 3.43Å; S288-A292 PolarHBondContact O-N 3.1Å
289	H	92.4	Very high	94.1	Very high	65 Å²	65	47.6 Å²	47.6	30%	0.301	24%	0.24	S	C	.	.	H	α-helix	trans	-55.1	-42.8	178.4	-67.6	-50.6	0	0	0	112.6	Q243 S244 A292 E293	Q243-H289 PolarHBondContact N-NE2 3.41Å; Q243-H289 PolarHBondContact O-CE1 2.95Å; S244-H289 PolarHBondContact OG-ND1 3.48Å; H289-A292 PolarHBondContact O-N 2.82Å; H289-E293 WeakPolarHBondContact O-CG 3.39Å; H289-E293 PolarHBondContact O-N 3.25Å
290	H	92.9	Very high	94	Very high	118 Å²	118	49.4 Å²	49.4	55%	0.546	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-51.5	177.7	-176.7	-87	0	0	0	112.8	S288 A292 E293 E294	S288-H290 VanDerWaalsContact C-N 3.26Å; S288-H290 PolarHBondContact O-N 2.94Å; H290-A292 PolarHBondContact O-N 3.39Å; H290-E293 WeakPolarHBondContact O-CB 3.33Å; H290-E293 PolarHBondContact O-N 2.89Å; H290-E293 VanDerWaalsContact O-N 3.12Å; H290-E294 IonicContact CE1-OE1 3.29Å; H290-E294 PolarHBondContact CE1-OE1 2.72Å; H290-E294 IonicContact CE1-OE2 2.66Å; H290-E294 VanDerWaalsContact ND1-CD 3.35Å; H290-E294 IonicContact ND1-OE1 2.6Å; H290-E294 PolarHBondContact ND1-OE1 3.42Å; H290-E294 IonicContact ND1-OE2 3.82Å; H290-E294 PolarHBondContact ND1-OE2 2.69Å; H290-E294 WeakPolarHBondContact O-CG 3.38Å; H290-E294 PolarHBondContact O-N 2.66Å
291	L	92.5	Very high	93.9	Very high	45 Å²	45	53.9 Å²	53.9	24%	0.236	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-31.9	-179.2	-178.2	54.8	0	0	0	111.4	T268 T287 S288 E294 L295	T268-L291 HydrophobicContact CG2-CD2 4.12Å; T287-L291 HydrophobicContact CG2-CB 3.97Å; T287-L291 HydrophobicContact CG2-CD2 4.38Å; T287-L291 HydrophobicContact CG2-CG 4.02Å; T287-L291 WeakPolarHBondContact OG1-CD2 3.5Å; S288-L291 PolarHBondContact O-N 3.28Å; S288-L291 WeakPolarHBondContact OG-CB 3.48Å; S288-L291 PolarHBondContact OG-N 3.39Å; L291-E294 HydrophobicContact CD1-CB 4.49Å; L291-E294 WeakPolarHBondContact CD1-OE2 3.24Å; L291-E294 PolarHBondContact O-N 3.47Å; L291-L295 HydrophobicContact CD1-CG 4.39Å; L291-L295 HydrophobicContact CG-CD1 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.45Å; L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 3.26Å
292	A	94.2	Very high	93.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-42.6	172.7	0	0	0	0	0	111.9	V246 T287 S288 H289 H290 L295 L296 M359	V246-A292 HydrophobicContact CG2-CB 3.67Å; T287-A292 HydrophobicContact CG2-CB 3.95Å; S288-A292 WeakPolarHBondContact O-CB 3.43Å; S288-A292 PolarHBondContact O-N 3.1Å; H289-A292 PolarHBondContact O-N 2.82Å; H290-A292 PolarHBondContact O-N 3.39Å; A292-L295 PolarHBondContact O-N 3.22Å; A292-L296 WeakPolarHBondContact O-CD1 3.38Å; A292-L296 PolarHBondContact O-N 3.29Å; A292-L296 VanDerWaalsContact O-N 3.16Å; A292-M359 HydrophobicContact CB-SD 4.24Å
293	E	94.6	Very high	93.9	Very high	104 Å²	104	56.2 Å²	56.2	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-47.1	175	-73	170.7	173.9	0	0	111.1	H289 H290 L295 L296 E297 M359	H289-E293 WeakPolarHBondContact O-CG 3.39Å; H289-E293 PolarHBondContact O-N 3.25Å; H290-E293 WeakPolarHBondContact O-CB 3.33Å; H290-E293 PolarHBondContact O-N 2.89Å; H290-E293 VanDerWaalsContact O-N 3.12Å; E293-L295 VanDerWaalsContact C-N 3.34Å; E293-L295 PolarHBondContact O-N 2.78Å; E293-L296 WeakPolarHBondContact O-CB 3.45Å; E293-L296 PolarHBondContact O-N 3.35Å; E293-E297 PolarHBondContact O-N 3.43Å; E293-M359 HydrophobicContact CG-CE 4.18Å; E293-M359 HydrophobicContact CG-SD 4.02Å
294	E	94.5	Very high	94	Very high	87 Å²	87	56.7 Å²	56.7	41%	0.407	29%	0.285	S	S	.	.	H	α-helix	trans	-56.4	-46.1	175.3	-70	176.6	141.5	0	0	112	H290 L291 L296 E297 L298	H290-E294 IonicContact CE1-OE1 3.29Å; H290-E294 PolarHBondContact CE1-OE1 2.72Å; H290-E294 IonicContact CE1-OE2 2.66Å; H290-E294 VanDerWaalsContact ND1-CD 3.35Å; H290-E294 IonicContact ND1-OE1 2.6Å; H290-E294 PolarHBondContact ND1-OE1 3.42Å; H290-E294 IonicContact ND1-OE2 3.82Å; H290-E294 PolarHBondContact ND1-OE2 2.69Å; H290-E294 WeakPolarHBondContact O-CG 3.38Å; H290-E294 PolarHBondContact O-N 2.66Å; L291-E294 HydrophobicContact CD1-CB 4.49Å; L291-E294 WeakPolarHBondContact CD1-OE2 3.24Å; L291-E294 PolarHBondContact O-N 3.47Å; E294-L296 PolarHBondContact O-N 3Å; E294-E297 PolarHBondContact O-N 2.87Å; E294-L298 PolarHBondContact O-N 3.37Å
295	L	94.8	Very high	94	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-31.8	177.5	-77.5	172.3	0	0	0	113.1	V246 W285 T287 L291 A292 E293 E297 L298 F303 A306	V246-L295 HydrophobicContact CG2-CB 4.43Å; V246-L295 HydrophobicContact CG2-CD1 4.23Å; W285-L295 HydrophobicContact CD2-CD1 3.92Å; W285-L295 HydrophobicContact CE3-CD1 3.8Å; W285-L295 HydrophobicContact CE3-CD2 4.35Å; W285-L295 HydrophobicContact CH2-CD1 4.23Å; W285-L295 HydrophobicContact CH2-CD2 3.99Å; W285-L295 HydrophobicContact CZ2-CD1 4.33Å; W285-L295 HydrophobicContact CZ3-CD1 3.97Å; W285-L295 HydrophobicContact CZ3-CD2 3.75Å; T287-L295 HydrophobicContact CG2-CD1 4.18Å; L291-L295 HydrophobicContact CD1-CG 4.39Å; L291-L295 HydrophobicContact CG-CD1 4.37Å; L291-L295 WeakPolarHBondContact O-CB 3.45Å; L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 3.26Å; A292-L295 PolarHBondContact O-N 3.22Å; E293-L295 VanDerWaalsContact C-N 3.34Å; E293-L295 PolarHBondContact O-N 2.78Å; L295-E297 VanDerWaalsContact C-N 3.35Å; L295-L298 HydrophobicContact CD2-CD1 4.03Å; L295-F303 HydrophobicContact CB-CD2 4.38Å; L295-F303 HydrophobicContact CB-CE2 4.07Å; L295-F303 HydrophobicContact CD2-CD2 4.17Å; L295-F303 HydrophobicContact CD2-CE2 4.19Å; L295-F303 VanDerWaalsContact O-CD2 3.22Å; L295-F303 WeakPolarHBondContact O-CD2 3.29Å; L295-A306 HydrophobicContact CD2-CB 4.2Å
296	L	93.8	Very high	94	Very high	56 Å²	56	60.7 Å²	60.7	29%	0.293	31%	0.31	S	S	.	.	H	α-helix	trans	-74.3	-27.7	176.4	-94.4	74.6	0	0	0	112.3	V246 A292 E293 E294 M359	V246-L296 HydrophobicContact CB-CD1 4.42Å; V246-L296 HydrophobicContact CG1-CD1 3.93Å; V246-L296 HydrophobicContact CG2-CD1 3.77Å; A292-L296 WeakPolarHBondContact O-CD1 3.38Å; A292-L296 PolarHBondContact O-N 3.29Å; A292-L296 VanDerWaalsContact O-N 3.16Å; E293-L296 WeakPolarHBondContact O-CB 3.45Å; E293-L296 PolarHBondContact O-N 3.35Å; E294-L296 PolarHBondContact O-N 3Å; L296-M359 HydrophobicContact CD1-CB 3.89Å; L296-M359 HydrophobicContact CD1-CG 4.34Å; L296-M359 HydrophobicContact CD1-SD 4.44Å; L296-M359 HydrophobicContact CD2-CB 4.13Å; L296-M359 HydrophobicContact CD2-CG 3.83Å; L296-M359 HydrophobicContact CD2-SD 4.23Å
297	E	94.6	Very high	94.1	Very high	168 Å²	168	60.5 Å²	60.5	79%	0.785	31%	0.309	S	S	*	.	H	α-helix	trans	-83.7	-21	-179	-69	-175.5	170.4	0	0	113.7	E293 E294 L295	E293-E297 PolarHBondContact O-N 3.43Å; E294-E297 PolarHBondContact O-N 2.87Å; L295-E297 VanDerWaalsContact C-N 3.35Å
298	L	94.7	Very high	94.2	Very high	59 Å²	59	61.9 Å²	61.9	31%	0.309	32%	0.316	S	S	.	.	S	Bend	trans	-55	148	176.1	-67.7	179.2	0	0	0	112.1	E294 L295 F303 A306 R357	E294-L298 PolarHBondContact O-N 3.37Å; L295-L298 HydrophobicContact CD2-CD1 4.03Å; L298-F303 HydrophobicContact CB-CB 4.13Å; L298-F303 HydrophobicContact CD1-CB 4.49Å; L298-F303 HydrophobicContact CD1-CD2 4.5Å; L298-A306 HydrophobicContact CD1-CB 4.32Å; L298-R357 PolarHBondContact O-NH1 3.21Å; L298-R357 PolarHBondContact O-NH2 2.93Å
299	D	95.1	Very high	94.2	Very high	85 Å²	85	62.3 Å²	62.3	46%	0.455	32%	0.319	S	S	.	.			trans	-66.4	168	163.1	69.9	87.5	0	0	0	110.7	E301 S302 F303	D299-E301 PolarHBondContact O-N 3Å; D299-E301 WeakPolarHBondContact OD1-CB 3.31Å; D299-E301 PolarHBondContact OD1-N 2.84Å; D299-S302 PolarHBondContact OD1-N 2.88Å; D299-S302 PolarHBondContact OD1-OG 3.26Å; D299-S302 VanDerWaalsContact OD2-CB 3.25Å; D299-S302 WeakPolarHBondContact OD2-CB 3.22Å; D299-S302 PolarHBondContact OD2-OG 3.41Å; D299-F303 VanDerWaalsContact O-CB 3.3Å; D299-F303 WeakPolarHBondContact O-CB 3.24Å; D299-F303 PolarHBondContact O-N 3.2Å
300	E	94.3	Very high	94.1	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-40.9	-173.6	177.9	165.2	170.9	0	0	113.1	F303 V304 I352	E300-F303 PolarHBondContact O-N 3.14Å; E300-V304 VanDerWaalsContact O-CG2 3.3Å; E300-V304 WeakPolarHBondContact O-CG2 3.31Å; E300-V304 PolarHBondContact O-N 2.85Å; E300-I352 HydrophobicContact CG-CD1 4.03Å; E300-I352 HydrophobicContact CG-CG1 3.83Å; E300-I352 PolarHBondContact OE1-N 3.19Å
301	E	94.4	Very high	93.9	Very high	147 Å²	147	54.2 Å²	54.2	69%	0.687	28%	0.284	S	S	*	.	H	α-helix	trans	-66.9	-50.3	-178.3	-172.1	174.8	-176.1	0	0	109.9	D299 F303 V304 D305	D299-E301 PolarHBondContact O-N 3Å; D299-E301 WeakPolarHBondContact OD1-CB 3.31Å; D299-E301 PolarHBondContact OD1-N 2.84Å; E301-F303 VanDerWaalsContact C-N 3.27Å; E301-F303 PolarHBondContact O-N 2.83Å; E301-V304 PolarHBondContact O-N 2.64Å; E301-V304 VanDerWaalsContact O-N 3.16Å; E301-D305 PolarHBondContact O-N 3.17Å
302	S	95.9	Very high	93.4	Very high	48 Å²	48	57.1 Å²	57.1	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-36.6	176.1	-62.4	0	0	0	0	112.9	D299 A306	D299-S302 PolarHBondContact OD1-N 2.88Å; D299-S302 PolarHBondContact OD1-OG 3.26Å; D299-S302 VanDerWaalsContact OD2-CB 3.25Å; D299-S302 WeakPolarHBondContact OD2-CB 3.22Å; D299-S302 PolarHBondContact OD2-OG 3.41Å; S302-A306 WeakPolarHBondContact O-CB 3.33Å; S302-A306 PolarHBondContact O-N 3.16Å
303	F	95.7	Very high	92.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-40.9	177.7	-177	-106.7	0	0	0	112.3	V246 A248 L283 L295 L298 D299 E300 E301 A306 I307 I352 R357	V246-F303 HydrophobicContact CG1-CE2 4.26Å; V246-F303 HydrophobicContact CG1-CZ 4.09Å; A248-F303 HydrophobicContact CB-CE1 4.32Å; L283-F303 HydrophobicContact CD2-CE1 4.39Å; L283-F303 HydrophobicContact CD2-CZ 3.92Å; L295-F303 HydrophobicContact CB-CD2 4.38Å; L295-F303 HydrophobicContact CB-CE2 4.07Å; L295-F303 HydrophobicContact CD2-CD2 4.17Å; L295-F303 HydrophobicContact CD2-CE2 4.19Å; L295-F303 VanDerWaalsContact O-CD2 3.22Å; L295-F303 WeakPolarHBondContact O-CD2 3.29Å; L298-F303 HydrophobicContact CB-CB 4.13Å; L298-F303 HydrophobicContact CD1-CB 4.49Å; L298-F303 HydrophobicContact CD1-CD2 4.5Å; D299-F303 VanDerWaalsContact O-CB 3.3Å; D299-F303 WeakPolarHBondContact O-CB 3.24Å; D299-F303 PolarHBondContact O-N 3.2Å; E300-F303 PolarHBondContact O-N 3.14Å; E301-F303 VanDerWaalsContact C-N 3.27Å; E301-F303 PolarHBondContact O-N 2.83Å; F303-A306 PolarHBondContact O-N 3.06Å; F303-I307 HydrophobicContact CD1-CD1 3.68Å; F303-I307 HydrophobicContact CE1-CD1 3.36Å; F303-I307 HydrophobicContact CE1-CG1 4.35Å; F303-I307 HydrophobicContact CG-CD1 4.41Å; F303-I307 HydrophobicContact CZ-CD1 3.83Å; F303-I307 HydrophobicContact CZ-CG1 4.41Å; F303-I307 WeakPolarHBondContact O-CG1 3.38Å; F303-I307 PolarHBondContact O-N 2.88Å; F303-I352 HydrophobicContact CD1-CD1 4.38Å; F303-I352 HydrophobicContact CD1-CG2 3.83Å; F303-I352 HydrophobicContact CE1-CG2 3.93Å; F303-R357 HydrophobicContact CE1-CG 4.02Å; F303-R357 HydrophobicContact CZ-CG 4.28Å
304	V	95.6	Very high	91.8	Very high	11 Å²	11	57.7 Å²	57.7	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-43.7	174.7	168.9	0	0	0	0	110.7	E300 E301 A306 I307 N308 V349 I352	E300-V304 VanDerWaalsContact O-CG2 3.3Å; E300-V304 WeakPolarHBondContact O-CG2 3.31Å; E300-V304 PolarHBondContact O-N 2.85Å; E301-V304 PolarHBondContact O-N 2.64Å; E301-V304 VanDerWaalsContact O-N 3.16Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.23Å; V304-I307 PolarHBondContact O-N 3.32Å; V304-N308 PolarHBondContact O-N 2.95Å; V304-N308 PolarHBondContact O-ND2 2.93Å; V304-V349 HydrophobicContact CG1-CB 4.34Å; V304-V349 HydrophobicContact CG1-CG1 4.18Å; V304-V349 WeakPolarHBondContact CG1-O 3.47Å; V304-V349 HydrophobicContact CG2-CG1 4.36Å; V304-I352 HydrophobicContact CG2-CG2 4.23Å
305	D	93.9	Very high	90.5	Very high	94 Å²	94	61.3 Å²	61.3	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175.7	-77.7	-11.1	0	0	0	111.9	E301 I307 N308 S309	E301-D305 PolarHBondContact O-N 3.17Å; D305-I307 VanDerWaalsContact C-N 3.33Å; D305-I307 PolarHBondContact O-N 3.08Å; D305-N308 PolarHBondContact O-N 3.22Å; D305-S309 VanDerWaalsContact O-CB 3.25Å; D305-S309 WeakPolarHBondContact O-CB 3.38Å; D305-S309 PolarHBondContact O-N 2.83Å
306	A	94.6	Very high	89	Confident	26 Å²	26	64.5 Å²	64.5	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-41.2	175	0	0	0	0	0	112.1	W285 L295 L298 S302 F303 V304 A310	W285-A306 HydrophobicContact CH2-CB 4.36Å; W285-A306 HydrophobicContact CZ3-CB 4.4Å; L295-A306 HydrophobicContact CD2-CB 4.2Å; L298-A306 HydrophobicContact CD1-CB 4.32Å; S302-A306 WeakPolarHBondContact O-CB 3.33Å; S302-A306 PolarHBondContact O-N 3.16Å; F303-A306 PolarHBondContact O-N 3.06Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.23Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å; A306-A310 PolarHBondContact O-N 3.4Å
307	I	94.4	Very high	87.6	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.9	-49	176.6	-67.6	160.4	0	0	0	111.1	L250 L283 W285 F303 V304 D305 S309 A310 F311 V349	L250-I307 HydrophobicContact CD2-CD1 3.76Å; L283-I307 HydrophobicContact CD2-CD1 3.87Å; L283-I307 HydrophobicContact CD2-CG1 4.13Å; W285-I307 HydrophobicContact CE3-CG1 4.29Å; W285-I307 HydrophobicContact CZ3-CG1 4.04Å; F303-I307 HydrophobicContact CD1-CD1 3.68Å; F303-I307 HydrophobicContact CE1-CD1 3.36Å; F303-I307 HydrophobicContact CE1-CG1 4.35Å; F303-I307 HydrophobicContact CG-CD1 4.41Å; F303-I307 HydrophobicContact CZ-CD1 3.83Å; F303-I307 HydrophobicContact CZ-CG1 4.41Å; F303-I307 WeakPolarHBondContact O-CG1 3.38Å; F303-I307 PolarHBondContact O-N 2.88Å; V304-I307 PolarHBondContact O-N 3.32Å; D305-I307 VanDerWaalsContact C-N 3.33Å; D305-I307 PolarHBondContact O-N 3.08Å; I307-S309 PolarHBondContact O-N 3.12Å; I307-A310 WeakPolarHBondContact O-CB 3.44Å; I307-A310 PolarHBondContact O-N 3.49Å; I307-F311 HydrophobicContact CG2-CD2 3.85Å; I307-F311 HydrophobicContact CG2-CE2 3.92Å; I307-F311 WeakPolarHBondContact O-CD2 3.3Å; I307-F311 PolarHBondContact O-N 3.46Å; I307-V349 HydrophobicContact CG2-CG2 3.96Å
308	N	94.1	Very high	86.2	Confident	30 Å²	30	58.6 Å²	58.6	16%	0.16	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-45.4	179.9	-75.3	-40.8	0	0	0	110.4	V304 D305 A310 F311 W312 V349	V304-N308 PolarHBondContact O-N 2.95Å; V304-N308 PolarHBondContact O-ND2 2.93Å; D305-N308 PolarHBondContact O-N 3.22Å; N308-A310 VanDerWaalsContact C-N 3.33Å; N308-A310 PolarHBondContact O-N 3.3Å; N308-F311 PolarHBondContact O-N 3.45Å; N308-F311 VanDerWaalsContact O-N 3.15Å; N308-W312 WeakPolarHBondContact O-CB 3.36Å; N308-W312 PolarHBondContact O-N 3.14Å; N308-V349 PolarHBondContact ND2-O 2.94Å; N308-V349 PolarHBondContact OD1-N 2.99Å
309	S	91.3	Very high	84.6	Confident	60 Å²	60	61.9 Å²	61.9	42%	0.42	33%	0.329	S	S	.	.	H	α-helix	trans	-58.6	-45.2	173.8	-177.1	0	0	0	0	111.6	D305 I307 F311 W312 S313	D305-S309 VanDerWaalsContact O-CB 3.25Å; D305-S309 WeakPolarHBondContact O-CB 3.38Å; D305-S309 PolarHBondContact O-N 2.83Å; I307-S309 PolarHBondContact O-N 3.12Å; S309-F311 VanDerWaalsContact C-N 3.26Å; S309-F311 PolarHBondContact O-N 2.86Å; S309-W312 PolarHBondContact O-N 2.9Å; S309-S313 WeakPolarHBondContact O-CB 3.32Å; S309-S313 PolarHBondContact O-N 2.97Å
310	A	90.9	Very high	83.1	Confident	12 Å²	12	63.3 Å²	63.3	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-33.5	177.1	0	0	0	0	0	113.1	R264 L266 I271 W285 A306 I307 N308	R264-A310 VanDerWaalsContact CD-O 3.23Å; R264-A310 WeakPolarHBondContact CD-O 3.38Å; R264-A310 PolarHBondContact NH1-O 2.79Å; L266-A310 HydrophobicContact CD1-CB 4.01Å; L266-A310 WeakPolarHBondContact CD2-O 3.37Å; I271-A310 HydrophobicContact CD1-CB 3.68Å; W285-A310 HydrophobicContact CH2-CB 3.67Å; W285-A310 HydrophobicContact CZ2-CB 3.78Å; W285-A310 HydrophobicContact CZ3-CB 4.31Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å; A306-A310 PolarHBondContact O-N 3.4Å; I307-A310 WeakPolarHBondContact O-CB 3.44Å; I307-A310 PolarHBondContact O-N 3.49Å; N308-A310 VanDerWaalsContact C-N 3.33Å; N308-A310 PolarHBondContact O-N 3.3Å
311	F	88.3	Confident	81.6	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-84.3	-29	176.2	-81.6	-69.5	0	0	0	114.3	W134 W262 R264 I271 M273 L283 I307 N308 S309 P346	W134-F311 AromaticContact CH2-CD1 3.86Å; W134-F311 HydrophobicContact CH2-CD1 3.86Å; W134-F311 HydrophobicContact CH2-CE1 4.22Å; W134-F311 AromaticContact CZ2-CD1 3.89Å; W134-F311 HydrophobicContact CZ2-CD1 3.89Å; W262-F311 HydrophobicContact CB-CE1 4.39Å; R264-F311 HydrophobicContact CB-CD1 4.45Å; R264-F311 VanDerWaalsContact NH1-C 3.31Å; R264-F311 PolarHBondContact NH1-O 3.31Å; I271-F311 HydrophobicContact CB-CZ 4.38Å; I271-F311 HydrophobicContact CD1-CD2 3.95Å; I271-F311 HydrophobicContact CD1-CE2 3.5Å; I271-F311 VanDerWaalsContact CD1-CE2 3.5Å; I271-F311 HydrophobicContact CD1-CZ 3.93Å; I271-F311 HydrophobicContact CG1-CE1 4.41Å; I271-F311 HydrophobicContact CG1-CE2 3.76Å; I271-F311 HydrophobicContact CG1-CZ 3.66Å; I271-F311 HydrophobicContact CG2-CD1 4.37Å; I271-F311 HydrophobicContact CG2-CE1 4Å; I271-F311 HydrophobicContact CG2-CZ 4.1Å; M273-F311 HydrophobicContact CB-CE1 4.36Å; M273-F311 HydrophobicContact CB-CE2 4.19Å; M273-F311 HydrophobicContact CB-CZ 3.68Å; M273-F311 HydrophobicContact CE-CD2 3.84Å; M273-F311 HydrophobicContact CE-CE2 3.57Å; M273-F311 HydrophobicContact CE-CZ 4.1Å; L283-F311 HydrophobicContact CD1-CE2 4.47Å; I307-F311 HydrophobicContact CG2-CD2 3.85Å; I307-F311 HydrophobicContact CG2-CE2 3.92Å; I307-F311 WeakPolarHBondContact O-CD2 3.3Å; I307-F311 PolarHBondContact O-N 3.46Å; N308-F311 PolarHBondContact O-N 3.45Å; N308-F311 VanDerWaalsContact O-N 3.15Å; S309-F311 VanDerWaalsContact C-N 3.26Å; S309-F311 PolarHBondContact O-N 2.86Å; F311-P346 HydrophobicContact CB-CG 4Å; F311-P346 HydrophobicContact CD1-CB 4.46Å; F311-P346 HydrophobicContact CD1-CG 4.23Å; F311-P346 HydrophobicContact CG-CG 4.35Å
312	W	83.2	Confident	80.2	Confident	105 Å²	105	55.5 Å²	55.5	40%	0.398	30%	0.3	S	S	.	.	H	α-helix	trans	-113.5	-24.7	-166.3	-67.4	71	0	0	0	115.4	N308 S309 L345 P346	N308-W312 WeakPolarHBondContact O-CB 3.36Å; N308-W312 PolarHBondContact O-N 3.14Å; S309-W312 PolarHBondContact O-N 2.9Å; W312-L345 HydrophobicContact CH2-CB 4.03Å; W312-L345 HydrophobicContact CH2-CD1 4.06Å; W312-L345 HydrophobicContact CZ2-CB 4.43Å; W312-L345 HydrophobicContact CZ3-CB 4.4Å; W312-L345 HydrophobicContact CZ3-CD1 3.8Å; W312-L345 HydrophobicContact CZ3-CG 4.49Å; W312-P346 WeakPolarHBondContact CZ2-O 3.46Å
313	S	80.6	Confident	78.8	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	31%	0.309	C	S	.	.			trans	-64.7	140.2	-176.1	172.8	0	0	0	0	112.3	R264 S309 E315	R264-S313 VanDerWaalsContact CZ-O 3.31Å; R264-S313 PolarHBondContact NH1-O 2.83Å; R264-S313 PolarHBondContact NH2-O 3.01Å; S309-S313 WeakPolarHBondContact O-CB 3.32Å; S309-S313 PolarHBondContact O-N 2.97Å; S313-E315 WeakPolarHBondContact OG-CB 3.41Å; S313-E315 WeakPolarHBondContact OG-CG 3.22Å; S313-E315 PolarHBondContact OG-N 2.98Å; S313-E315 PolarHBondContact OG-OE2 3.4Å
314	N	72.8	Confident	77.2	Confident	93 Å²	93	58.9 Å²	58.9	50%	0.497	32%	0.321	S	S	.	.			trans	-102.4	7.4	174.3	-70.6	-10.9	0	0	0	113.2	N316 Q317	N314-N316 PolarHBondContact O-N 3.49Å; N314-Q317 PolarHBondContact O-N 2.9Å
315	E	67.1	Low	75.7	Confident	163 Å²	163	58.6 Å²	58.6	76%	0.762	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.4	-172.2	-71.6	169.2	164.3	0	0	115.1	S313	S313-E315 WeakPolarHBondContact OG-CB 3.41Å; S313-E315 WeakPolarHBondContact OG-CG 3.22Å; S313-E315 PolarHBondContact OG-N 2.98Å; S313-E315 PolarHBondContact OG-OE2 3.4Å
316	N	63.7	Low	74.4	Confident	74 Å²	74	55.6 Å²	55.6	40%	0.396	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.1	-177.7	-65.5	-55.6	0	0	0	113.9	A136 C137 P267 N314	A136-N316 HydrophobicContact CB-CB 4.4Å; C137-N316 WeakPolarHBondContact CA-O 3.37Å; P267-N316 HydrophobicContact CG-CB 4.36Å; N314-N316 PolarHBondContact O-N 3.49Å
317	Q	64.8	Low	73	Confident	45 Å²	45	59.9 Å²	59.9	21%	0.21	33%	0.328	C	S	.	.			trans	-79	138.5	176.4	-69	-178.8	-45.2	0	0	110.4	D139 N314 E322	D139-Q317 PolarHBondContact OD1-NE2 2.94Å; D139-Q317 VanDerWaalsContact OD1-NE2 3.09Å; N314-Q317 PolarHBondContact O-N 2.9Å; Q317-E322 PolarHBondContact OE1-OE1 3.48Å
318	S	64.5	Low	71.5	Confident	55 Å²	55	62.8 Å²	62.8	39%	0.385	34%	0.34	S	S	.	.			trans	-112.8	132	176.1	173.2	0	0	0	0	109.8	L320 I321 E322	S318-L320 PolarHBondContact O-N 3.37Å; S318-I321 WeakPolarHBondContact O-CA 3.41Å; S318-I321 WeakPolarHBondContact O-CB 3.18Å; S318-I321 PolarHBondContact O-N 2.85Å; S318-E322 PolarHBondContact O-N 3.32Å
319	D	62.4	Low	70.2	Confident	127 Å²	127	65.7 Å²	65.7	68%	0.679	35%	0.349	S	S	*	.	H	α-helix	trans	-50.3	-35	179.9	-58.7	-13.1	0	0	0	113.6	T323	D319-T323 WeakPolarHBondContact O-CB 3.34Å; D319-T323 PolarHBondContact O-N 2.8Å; D319-T323 PolarHBondContact O-OG1 2.93Å
320	L	63.8	Low	68.9	Low	115 Å²	115	67.7 Å²	67.7	60%	0.602	36%	0.355	S	S	*	.	H	α-helix	trans	-68.8	-37.2	179	-173.6	146.5	0	0	0	112	S318 A324	S318-L320 PolarHBondContact O-N 3.37Å; L320-A324 WeakPolarHBondContact O-CB 3.5Å; L320-A324 PolarHBondContact O-N 3.5Å; L320-A324 VanDerWaalsContact O-N 3.08Å
321	I	61.7	Low	67.6	Low	14 Å²	14	70 Å²	70	7%	0.072	37%	0.374	C	S	.	.	H	α-helix	trans	-75.5	-39.1	-180	-58.3	179	0	0	0	109.8	S318 G325 V456	S318-I321 WeakPolarHBondContact O-CA 3.41Å; S318-I321 WeakPolarHBondContact O-CB 3.18Å; S318-I321 PolarHBondContact O-N 2.85Å; I321-G325 PolarHBondContact O-N 3.34Å; I321-V456 HydrophobicContact CD1-CB 4.02Å; I321-V456 HydrophobicContact CD1-CG1 3.64Å; I321-V456 HydrophobicContact CG2-CG1 4.2Å
322	E	66.1	Low	66.2	Low	70 Å²	70	71.9 Å²	71.9	33%	0.327	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-45.8	173.1	-70.7	-168.6	174.3	0	0	111.8	Q317 S318 G325 A326	Q317-E322 PolarHBondContact OE1-OE1 3.48Å; S318-E322 PolarHBondContact O-N 3.32Å; E322-G325 PolarHBondContact O-N 3.19Å; E322-A326 WeakPolarHBondContact O-CB 3.46Å; E322-A326 PolarHBondContact O-N 2.91Å
323	T	66.2	Low	65.1	Low	87 Å²	87	70 Å²	70	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-46.7	179	-56	0	0	0	0	111.4	D319 G325 A326 L327	D319-T323 WeakPolarHBondContact O-CB 3.34Å; D319-T323 PolarHBondContact O-N 2.8Å; D319-T323 PolarHBondContact O-OG1 2.93Å; T323-G325 VanDerWaalsContact C-N 3.34Å; T323-G325 PolarHBondContact O-N 3.31Å; T323-A326 PolarHBondContact O-N 2.93Å; T323-L327 HydrophobicContact CG2-CD1 4.39Å; T323-L327 WeakPolarHBondContact O-CG 3.45Å; T323-L327 PolarHBondContact O-N 3.31Å
324	A	61.6	Low	64.2	Low	31 Å²	31	73 Å²	73	26%	0.256	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-39.3	177	0	0	0	0	0	112.2	L320 F328 L457	L320-A324 WeakPolarHBondContact O-CB 3.5Å; L320-A324 PolarHBondContact O-N 3.5Å; L320-A324 VanDerWaalsContact O-N 3.08Å; A324-F328 WeakPolarHBondContact O-CB 3.18Å; A324-F328 PolarHBondContact O-N 3.45Å; A324-F328 VanDerWaalsContact O-N 3.13Å; A324-L457 HydrophobicContact CB-CD2 3.91Å
325	G	64.1	Low	63.6	Low	5 Å²	5	74.7 Å²	74.7	5%	0.052	42%	0.421	C	S	.	.	H	α-helix	trans	-64.3	-41.5	174.9	0	0	0	0	0	112.7	I321 E322 T323 F328 R329	I321-G325 PolarHBondContact O-N 3.34Å; E322-G325 PolarHBondContact O-N 3.19Å; T323-G325 VanDerWaalsContact C-N 3.34Å; T323-G325 PolarHBondContact O-N 3.31Å; G325-F328 PolarHBondContact O-N 2.85Å; G325-R329 VanDerWaalsContact O-CG 3.31Å; G325-R329 WeakPolarHBondContact O-CG 3.49Å; G325-R329 PolarHBondContact O-N 3.41Å
326	A	66.4	Low	63	Low	32 Å²	32	71.8 Å²	71.8	26%	0.264	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-49.2	176.9	0	0	0	0	0	112	E322 T323 F328 R329 D330	E322-A326 WeakPolarHBondContact O-CB 3.46Å; E322-A326 PolarHBondContact O-N 2.91Å; T323-A326 PolarHBondContact O-N 2.93Å; A326-F328 VanDerWaalsContact C-N 3.26Å; A326-F328 PolarHBondContact O-N 3.31Å; A326-R329 WeakPolarHBondContact O-CB 3.33Å; A326-R329 PolarHBondContact O-N 3.44Å; A326-R329 VanDerWaalsContact O-N 3.14Å; A326-D330 VanDerWaalsContact O-CG 3.31Å; A326-D330 PolarHBondContact O-N 3.43Å
327	L	65.9	Low	62.3	Low	115 Å²	115	74.1 Å²	74.1	60%	0.602	43%	0.428	S	S	*	.	H	α-helix	trans	-59.5	-38.4	177.7	-70.2	173.5	0	0	0	112.4	T323 A331	T323-L327 HydrophobicContact CG2-CD1 4.39Å; T323-L327 WeakPolarHBondContact O-CG 3.45Å; T323-L327 PolarHBondContact O-N 3.31Å; L327-A331 WeakPolarHBondContact O-CB 3.49Å; L327-A331 PolarHBondContact O-N 2.92Å
328	F	63.3	Low	61.6	Low	61 Å²	61	77.6 Å²	77.6	27%	0.268	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-45.7	175.4	-176.2	-104.8	0	0	0	111.8	A324 G325 A326 D330 A331 L332 F461 Q464	A324-F328 WeakPolarHBondContact O-CB 3.18Å; A324-F328 PolarHBondContact O-N 3.45Å; A324-F328 VanDerWaalsContact O-N 3.13Å; G325-F328 PolarHBondContact O-N 2.85Å; A326-F328 VanDerWaalsContact C-N 3.26Å; A326-F328 PolarHBondContact O-N 3.31Å; F328-D330 VanDerWaalsContact C-N 3.26Å; F328-D330 PolarHBondContact O-N 3.35Å; F328-A331 PolarHBondContact O-N 2.92Å; F328-L332 HydrophobicContact CD1-CD2 4.07Å; F328-L332 HydrophobicContact CE1-CD1 4.35Å; F328-L332 HydrophobicContact CE1-CD2 3.5Å; F328-L332 VanDerWaalsContact CE1-CD2 3.5Å; F328-L332 HydrophobicContact CE1-CG 4.46Å; F328-L332 HydrophobicContact CE2-CD1 4.44Å; F328-L332 HydrophobicContact CZ-CD1 3.98Å; F328-L332 HydrophobicContact CZ-CD2 3.97Å; F328-L332 WeakPolarHBondContact O-CB 3.43Å; F328-L332 PolarHBondContact O-N 3.49Å; F328-F461 HydrophobicContact CB-CE1 3.8Å; F328-F461 AromaticContact CD1-CD1 3.81Å; F328-F461 HydrophobicContact CD1-CD1 3.81Å; F328-F461 AromaticContact CD1-CE1 3.94Å; F328-F461 HydrophobicContact CD1-CE1 3.94Å; F328-F461 AromaticContact CD2-CD1 3.88Å; F328-F461 HydrophobicContact CD2-CD1 3.88Å; F328-F461 AromaticContact CD2-CE1 3.54Å; F328-F461 HydrophobicContact CD2-CE1 3.54Å; F328-F461 AromaticContact CE1-CD1 3.82Å; F328-F461 HydrophobicContact CE1-CD1 3.82Å; F328-F461 HydrophobicContact CE1-CE1 4.35Å; F328-F461 AromaticContact CE2-CD1 3.92Å; F328-F461 HydrophobicContact CE2-CD1 3.92Å; F328-F461 HydrophobicContact CE2-CE1 4.02Å; F328-F461 AromaticContact CG-CD1 3.82Å; F328-F461 HydrophobicContact CG-CD1 3.82Å; F328-F461 AromaticContact CG-CE1 3.48Å; F328-F461 HydrophobicContact CG-CE1 3.48Å; F328-F461 VanDerWaalsContact CG-CE1 3.48Å; F328-F461 AromaticContact CZ-CD1 3.88Å; F328-F461 HydrophobicContact CZ-CD1 3.88Å; F328-F461 HydrophobicContact CZ-CE1 4.4Å; F328-Q464 HydrophobicContact CE1-CB 4.29Å
329	R	64.8	Low	60.7	Low	91 Å²	91	77.5 Å²	77.5	34%	0.343	46%	0.46	S	S	.	.	H	α-helix	trans	-55.9	-42.3	174.6	-75.5	-176.4	-61.1	-115.3	6.2	111.6	D139 G325 A326 L332 S333	D139-R329 IonicContact OD2-CZ 3.5Å; D139-R329 IonicContact OD2-NH1 2.81Å; D139-R329 PolarHBondContact OD2-NH1 3.31Å; D139-R329 IonicContact OD2-NH2 3.28Å; D139-R329 PolarHBondContact OD2-NH2 2.84Å; G325-R329 VanDerWaalsContact O-CG 3.31Å; G325-R329 WeakPolarHBondContact O-CG 3.49Å; G325-R329 PolarHBondContact O-N 3.41Å; A326-R329 WeakPolarHBondContact O-CB 3.33Å; A326-R329 PolarHBondContact O-N 3.44Å; A326-R329 VanDerWaalsContact O-N 3.14Å; R329-L332 PolarHBondContact O-N 3.41Å; R329-S333 VanDerWaalsContact O-CB 3.27Å; R329-S333 WeakPolarHBondContact O-CB 3.45Å; R329-S333 PolarHBondContact O-N 3.4Å; R329-S333 PolarHBondContact O-OG 2.86Å
330	D	65.3	Low	60.2	Low	103 Å²	103	74.5 Å²	74.5	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-65.5	-48.6	178.8	-68.8	-15.4	0	0	0	111.2	A326 F328 L332 S333 A334	A326-D330 VanDerWaalsContact O-CG 3.31Å; A326-D330 PolarHBondContact O-N 3.43Å; F328-D330 VanDerWaalsContact C-N 3.26Å; F328-D330 PolarHBondContact O-N 3.35Å; D330-L332 PolarHBondContact O-N 2.88Å; D330-S333 PolarHBondContact O-N 3.27Å; D330-S333 PolarHBondContact O-OG 3.47Å; D330-A334 PolarHBondContact O-N 3.41Å
331	A	63.4	Low	59.7	Low	60 Å²	60	72.9 Å²	72.9	50%	0.496	46%	0.456	S	S	.	.	H	α-helix	trans	-59.6	-33.6	176.1	0	0	0	0	0	112.8	L327 F328	L327-A331 WeakPolarHBondContact O-CB 3.49Å; L327-A331 PolarHBondContact O-N 2.92Å; F328-A331 PolarHBondContact O-N 2.92Å
332	L	57.7	Low	59.6	Low	41 Å²	41	78 Å²	78	22%	0.215	49%	0.49	C	S	.	.	H	α-helix	trans	-85.1	-36.2	-175.7	-156.8	72.9	0	0	0	112.4	F328 R329 D330 A334 I335 M336 M468	F328-L332 HydrophobicContact CD1-CD2 4.07Å; F328-L332 HydrophobicContact CE1-CD1 4.35Å; F328-L332 HydrophobicContact CE1-CD2 3.5Å; F328-L332 VanDerWaalsContact CE1-CD2 3.5Å; F328-L332 HydrophobicContact CE1-CG 4.46Å; F328-L332 HydrophobicContact CE2-CD1 4.44Å; F328-L332 HydrophobicContact CZ-CD1 3.98Å; F328-L332 HydrophobicContact CZ-CD2 3.97Å; F328-L332 WeakPolarHBondContact O-CB 3.43Å; F328-L332 PolarHBondContact O-N 3.49Å; R329-L332 PolarHBondContact O-N 3.41Å; D330-L332 PolarHBondContact O-N 2.88Å; L332-A334 PolarHBondContact O-N 3.35Å; L332-I335 WeakPolarHBondContact O-CA 3.17Å; L332-I335 PolarHBondContact O-N 2.74Å; L332-M336 PolarHBondContact O-N 2.86Å; L332-M468 HydrophobicContact CD1-SD 4.49Å; L332-M468 HydrophobicContact CD2-CE 3.93Å; L332-M468 HydrophobicContact CD2-SD 3.05Å; L332-M468 WeakPolarHBondContact CD2-SD 3.37Å; L332-M468 HydrophobicContact CG-CE 3.72Å; L332-M468 HydrophobicContact CG-SD 3.58Å; L332-M468 VanDerWaalsContact CG-SD 3.58Å
333	S	60.8	Low	59.6	Low	65 Å²	65	79.3 Å²	79.3	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-28.9	174	69.8	0	0	0	0	112.5	R329 D330 I335	R329-S333 VanDerWaalsContact O-CB 3.27Å; R329-S333 WeakPolarHBondContact O-CB 3.45Å; R329-S333 PolarHBondContact O-N 3.4Å; R329-S333 PolarHBondContact O-OG 2.86Å; D330-S333 PolarHBondContact O-N 3.27Å; D330-S333 PolarHBondContact O-OG 3.47Å; S333-I335 PolarHBondContact O-N 2.82Å
334	A	61.8	Low	60.1	Low	85 Å²	85	79.4 Å²	79.4	70%	0.702	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.4	170.8	0	0	0	0	0	113.3	D330 L332	D330-A334 PolarHBondContact O-N 3.41Å; L332-A334 PolarHBondContact O-N 3.35Å
335	I	61.2	Low	61	Low	130 Å²	130	82 Å²	82	67%	0.667	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-33.3	-178	-56.9	171.5	0	0	0	111	L332 S333	L332-I335 WeakPolarHBondContact O-CA 3.17Å; L332-I335 PolarHBondContact O-N 2.74Å; S333-I335 PolarHBondContact O-N 2.82Å
336	M	54.5	Low	62	Low	102 Å²	102	81.9 Å²	81.9	50%	0.502	49%	0.494	S	S	.	.			trans	-145.1	101.9	-179	-73.8	-173.3	173	0	0	111.7	L332 S338 M468	L332-M336 PolarHBondContact O-N 2.86Å; M336-S338 PolarHBondContact O-N 2.71Å; M336-M468 HydrophobicContact CB-CE 3.58Å; M336-M468 HydrophobicContact CG-CE 4.31Å; M336-M468 HydrophobicContact SD-CE 4.04Å
337	P	48.1	Very low	63.2	Low	123 Å²	123	81.3 Å²	81.3	80%	0.799	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.4	-171	-18.7	31.2	0	0	0	116.9
338	S	49.2	Very low	64.4	Low	117 Å²	117	78.1 Å²	78.1	82%	0.818	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	14.5	-165	44.9	0	0	0	0	115.5	M336 G340	M336-S338 PolarHBondContact O-N 2.71Å; S338-G340 PolarHBondContact O-N 2.99Å
339	A	46.2	Very low	66	Low	54 Å²	54	75.4 Å²	75.4	45%	0.446	46%	0.463	S	S	.	.			trans	-94.6	87.1	-174.2	0	0	0	0	0	113.7	M468	A339-M468 HydrophobicContact CB-CE 3.73Å; A339-M468 HydrophobicContact CB-CG 3.54Å; A339-M468 HydrophobicContact CB-SD 3.82Å
340	G	51.8	Low	67.4	Low	63 Å²	63	74.2 Å²	74.2	65%	0.649	47%	0.474	S	S	*	.			trans	159.6	115.4	158.3	0	0	0	0	0	114.7	S338	S338-G340 PolarHBondContact O-N 2.99Å
341	S	52.8	Low	68.8	Low	81 Å²	81	69.6 Å²	69.6	57%	0.566	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-73.4	136.7	158.3	-58.4	0	0	0	0	108.8
342	P	59.9	Low	70.3	Confident	121 Å²	121	67.4 Å²	67.4	79%	0.786	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-60.2	141.8	177.5	23.2	-31.3	0	0	0	110.8	Q344	P342-Q344 PolarHBondContact O-N 3.48Å
343	R	66.9	Low	71.7	Confident	99 Å²	99	65.7 Å²	65.7	37%	0.374	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-59.4	119.9	177.2	-168.3	178.9	89.7	151.9	1.4	109.4	W134 L141 L345	W134-R343 VanDerWaalsContact CD1-NH1 3.34Å; W134-R343 VanDerWaalsContact NE1-NH1 3.18Å; L141-R343 HydrophobicContact CD1-CG 4.25Å; L141-R343 HydrophobicContact CD2-CB 3.79Å; L141-R343 HydrophobicContact CD2-CG 3.94Å; R343-L345 VanDerWaalsContact NH2-CD2 3.29Å
344	Q	75.4	Confident	72.5	Confident	89 Å²	89	67.4 Å²	67.4	42%	0.416	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-81	143.1	167.7	-170.7	-173.9	-3.3	0	0	108.1	Q132 W262 P342	Q132-Q344 VanDerWaalsContact OE1-N 3.11Å; Q132-Q344 PolarHBondContact OE1-O 3.05Å; W262-Q344 HydrophobicContact CH2-CB 3.77Å; W262-Q344 HydrophobicContact CH2-CG 3.74Å; W262-Q344 HydrophobicContact CZ3-CB 4.24Å; W262-Q344 VanDerWaalsContact CZ3-O 3.24Å; W262-Q344 WeakPolarHBondContact CZ3-O 3.42Å; P342-Q344 PolarHBondContact O-N 3.48Å
345	L	80.6	Confident	73.1	Confident	85 Å²	85	73.6 Å²	73.6	45%	0.445	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-82.7	139.4	178.2	-62.5	171.9	0	0	0	110.1	W262 W312 R343	W262-L345 WeakPolarHBondContact CH2-O 3.38Å; W312-L345 HydrophobicContact CH2-CB 4.03Å; W312-L345 HydrophobicContact CH2-CD1 4.06Å; W312-L345 HydrophobicContact CZ2-CB 4.43Å; W312-L345 HydrophobicContact CZ3-CB 4.4Å; W312-L345 HydrophobicContact CZ3-CD1 3.8Å; W312-L345 HydrophobicContact CZ3-CG 4.49Å; R343-L345 VanDerWaalsContact NH2-CD2 3.29Å
346	P	86.7	Confident	74.1	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.013	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-63.4	149.2	172.4	28.4	-33.7	0	0	0	109.8	W134 W262 F311 W312	W134-P346 HydrophobicContact CH2-CB 4.36Å; W134-P346 HydrophobicContact CH2-CG 4.04Å; W134-P346 HydrophobicContact CZ2-CG 4.17Å; W262-P346 HydrophobicContact CB-CB 4.47Å; W262-P346 HydrophobicContact CD2-CB 3.81Å; W262-P346 HydrophobicContact CE3-CB 4.08Å; W262-P346 HydrophobicContact CG-CB 3.98Å; F311-P346 HydrophobicContact CB-CG 4Å; F311-P346 HydrophobicContact CD1-CB 4.46Å; F311-P346 HydrophobicContact CD1-CG 4.23Å; F311-P346 HydrophobicContact CG-CG 4.35Å; W312-P346 WeakPolarHBondContact CZ2-O 3.46Å
347	P	90.3	Very high	75.8	Confident	21 Å²	21	66.4 Å²	66.4	14%	0.136	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-64	147.5	175.9	28.1	-33.9	0	0	0	110.8	L252 T256 M273	L252-P347 HydrophobicContact CD1-CB 4.2Å; L252-P347 HydrophobicContact CD1-CG 4.03Å; L252-P347 HydrophobicContact CD2-CB 4.09Å; L252-P347 HydrophobicContact CD2-CG 3.8Å; T256-P347 HydrophobicContact CG2-CB 4.42Å; M273-P347 HydrophobicContact SD-CG 3.85Å
348	S	92.5	Very high	77.9	Confident	48 Å²	48	63.5 Å²	63.5	34%	0.336	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-74.9	151	173	61	0	0	0	0	110.9	L252 S253	L252-S348 WeakPolarHBondContact CA-O 3.16Å; S253-S348 WeakPolarHBondContact CB-OG 3.23Å; S253-S348 PolarHBondContact N-O 3.39Å; S253-S348 PolarHBondContact OG-O 2.95Å; S253-S348 PolarHBondContact OG-OG 3.07Å
349	V	95.2	Very high	79.9	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132	178.6	-179	0	0	0	0	108.6	L250 H251 M273 V304 I307 N308 G351	L250-V349 HydrophobicContact CB-CG1 4.16Å; L250-V349 HydrophobicContact CB-CG2 4.36Å; L250-V349 HydrophobicContact CD1-CG2 3.92Å; L250-V349 HydrophobicContact CD2-CG1 4.2Å; H251-V349 WeakPolarHBondContact O-CA 3.41Å; M273-V349 HydrophobicContact CE-CG2 3.75Å; V304-V349 HydrophobicContact CG1-CB 4.34Å; V304-V349 HydrophobicContact CG1-CG1 4.18Å; V304-V349 WeakPolarHBondContact CG1-O 3.47Å; V304-V349 HydrophobicContact CG2-CG1 4.36Å; I307-V349 HydrophobicContact CG2-CG2 3.96Å; N308-V349 PolarHBondContact ND2-O 2.94Å; N308-V349 PolarHBondContact OD1-N 2.99Å; V349-G351 WeakPolarHBondContact CG1-O 3.44Å
350	A	95.3	Very high	81.9	Confident	67 Å²	67	60 Å²	60	55%	0.554	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	-14.4	176.8	0	0	0	0	0	113.5	H251 S253	H251-A350 PolarHBondContact O-N 3.27Å; S253-A350 PolarHBondContact OG-N 3.16Å
351	G	95.2	Very high	83.6	Confident	6 Å²	6	61 Å²	61	6%	0.062	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	179.2	-177.6	0	0	0	0	0	113	H251 V349	H251-G351 PolarHBondContact N-O 3.02Å; H251-G351 PolarHBondContact O-N 3.05Å; V349-G351 WeakPolarHBondContact CG1-O 3.44Å
352	I	93.8	Very high	85.1	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.072	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	154	177.5	62	177.8	0	0	0	111.8	V249 L250 E300 F303 V304 R357	V249-I352 CarbonylContact O-C 3.51Å; V249-I352 WeakPolarHBondContact O-CA 3.34Å; L250-I352 HydrophobicContact CD2-CG2 4.27Å; E300-I352 HydrophobicContact CG-CD1 4.03Å; E300-I352 HydrophobicContact CG-CG1 3.83Å; E300-I352 PolarHBondContact OE1-N 3.19Å; F303-I352 HydrophobicContact CD1-CD1 4.38Å; F303-I352 HydrophobicContact CD1-CG2 3.83Å; F303-I352 HydrophobicContact CE1-CG2 3.93Å; V304-I352 HydrophobicContact CG2-CG2 4.23Å; I352-R357 HydrophobicContact CD1-CG 3.94Å
353	G	87.1	Confident	86	Confident	4 Å²	4	51.8 Å²	51.8	4%	0.041	28%	0.277	C	S	.	.			trans	-66.9	146.8	172.5	0	0	0	0	0	111.1	V249 K355 S356	V249-G353 PolarHBondContact O-N 3.4Å; G353-K355 PolarHBondContact O-N 2.96Å; G353-S356 VanDerWaalsContact O-CB 3.23Å; G353-S356 WeakPolarHBondContact O-CB 3.23Å; G353-S356 PolarHBondContact O-N 2.76Å; G353-S356 PolarHBondContact O-OG 2.96Å
354	P	78.3	Confident	86.7	Confident	101 Å²	101	47.5 Å²	47.5	66%	0.656	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	133.7	-178.3	25.5	-34.3	0	0	0	111.1	T95 S356	T95-P354 HydrophobicContact CG2-CG 4.47Å; P354-S356 PolarHBondContact O-N 3.01Å; P354-S356 VanDerWaalsContact O-N 3.1Å
355	K	74.9	Confident	87.2	Confident	216 Å²	216	43.6 Å²	43.6	94%	0.939	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	29.2	179.4	-58	-178.9	-180	178.3	0	114	G353	G353-K355 PolarHBondContact O-N 2.96Å
356	S	82.1	Confident	87.6	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.042	23%	0.229	C	C	.	.			trans	-92.4	-12	-173.8	70.5	0	0	0	0	114.5	T98 A248 V249 G353 P354 V358	T98-S356 WeakPolarHBondContact CG2-O 3.48Å; A248-S356 WeakPolarHBondContact CA-O 3.34Å; V249-S356 PolarHBondContact N-OG 3.21Å; G353-S356 VanDerWaalsContact O-CB 3.23Å; G353-S356 WeakPolarHBondContact O-CB 3.23Å; G353-S356 PolarHBondContact O-N 2.76Å; G353-S356 PolarHBondContact O-OG 2.96Å; P354-S356 PolarHBondContact O-N 3.01Å; P354-S356 VanDerWaalsContact O-N 3.1Å; S356-V358 PolarHBondContact O-N 3.47Å
357	R	90.4	Very high	87.8	Confident	74 Å²	74	40.4 Å²	40.4	28%	0.279	23%	0.228	S	C	.	.			trans	-78.1	113.1	-179.2	-66.9	-175.6	-70.3	167.9	-4.2	111.1	V247 A248 L298 F303 I352	V247-R357 WeakPolarHBondContact O-CA 3.5Å; A248-R357 HydrophobicContact CB-CG 4.28Å; L298-R357 PolarHBondContact O-NH1 3.21Å; L298-R357 PolarHBondContact O-NH2 2.93Å; F303-R357 HydrophobicContact CE1-CG 4.02Å; F303-R357 HydrophobicContact CZ-CG 4.28Å; I352-R357 HydrophobicContact CD1-CG 3.94Å
358	V	91.3	Very high	87.8	Confident	62 Å²	62	41.6 Å²	41.6	38%	0.376	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.3	178.6	-174.8	0	0	0	0	108.9	V246 V247 S356	V246-V358 WeakPolarHBondContact CA-O 3.21Å; V247-V358 HydrophobicContact CG2-CB 4.09Å; V247-V358 WeakPolarHBondContact CG2-O 3.31Å; V247-V358 PolarHBondContact N-O 3.12Å; V247-V358 PolarHBondContact O-N 3.43Å; S356-V358 PolarHBondContact O-N 3.47Å
359	M	91.4	Very high	87.8	Confident	60 Å²	60	42.1 Å²	42.1	30%	0.296	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.8	169	72.2	174.2	-121	0	0	112.4	A245 V246 A292 E293 L296	A245-M359 CarbonylContact O-C 3.58Å; A245-M359 VanDerWaalsContact O-CA 3.25Å; A245-M359 WeakPolarHBondContact O-CA 3.42Å; V246-M359 HydrophobicContact CG2-CB 4.49Å; A292-M359 HydrophobicContact CB-SD 4.24Å; E293-M359 HydrophobicContact CG-CE 4.18Å; E293-M359 HydrophobicContact CG-SD 4.02Å; L296-M359 HydrophobicContact CD1-CB 3.89Å; L296-M359 HydrophobicContact CD1-CG 4.34Å; L296-M359 HydrophobicContact CD1-SD 4.44Å; L296-M359 HydrophobicContact CD2-CB 4.13Å; L296-M359 HydrophobicContact CD2-CG 3.83Å; L296-M359 HydrophobicContact CD2-SD 4.23Å
360	F	88.5	Confident	87.9	Confident	39 Å²	39	42 Å²	42	17%	0.171	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.3	169.6	53.7	-91.4	0	0	0	112	S244 A245 V247 L362 P387	S244-F360 CarbonylContact C-O 3.57Å; S244-F360 WeakPolarHBondContact CA-O 3.11Å; A245-F360 HydrophobicContact CB-CD2 4.17Å; A245-F360 HydrophobicContact CB-CE1 4.15Å; A245-F360 HydrophobicContact CB-CE2 3.6Å; A245-F360 HydrophobicContact CB-CZ 3.57Å; A245-F360 PolarHBondContact N-O 3.38Å; A245-F360 PolarHBondContact O-N 3.14Å; V247-F360 HydrophobicContact CB-CE1 4.23Å; V247-F360 HydrophobicContact CG1-CE1 3.42Å; V247-F360 VanDerWaalsContact CG1-CE1 3.42Å; V247-F360 HydrophobicContact CG1-CZ 3.83Å; V247-F360 HydrophobicContact CG2-CD1 4.25Å; V247-F360 HydrophobicContact CG2-CE1 3.74Å; F360-L362 HydrophobicContact CD2-CD2 3.98Å; F360-L362 HydrophobicContact CE2-CD2 3.7Å; F360-P387 HydrophobicContact CE2-CG 4.48Å
361	P	87.6	Confident	87.9	Confident	84 Å²	84	39.1 Å²	39.1	55%	0.545	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.6	-178.8	28.5	-34.9	0	0	0	111.7	R384	P361-R384 PolarHBondContact O-NH2 3.06Å; P361-R384 VanDerWaalsContact O-NH2 3.11Å
362	L	84.4	Confident	87.9	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138	177.5	-58.7	-177.6	0	0	0	110.9	Y241 Q243 A245 S286 F360 P387	Y241-L362 PolarHBondContact N-O 3.47Å; Q243-L362 HydrophobicContact CB-CB 4.48Å; Q243-L362 HydrophobicContact CB-CD1 4.22Å; Q243-L362 WeakPolarHBondContact O-CB 3.27Å; Q243-L362 PolarHBondContact O-N 2.95Å; A245-L362 HydrophobicContact CB-CD1 3.99Å; A245-L362 HydrophobicContact CB-CD2 3.63Å; A245-L362 HydrophobicContact CB-CG 4.03Å; S286-L362 WeakPolarHBondContact OG-CD1 3.25Å; F360-L362 HydrophobicContact CD2-CD2 3.98Å; F360-L362 HydrophobicContact CE2-CD2 3.7Å; L362-P387 HydrophobicContact CD2-CG 3.42Å; L362-P387 VanDerWaalsContact CD2-CG 3.42Å
363	G	78.7	Confident	87.8	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	154.9	176.6	0	0	0	0	0	111.1	R384	G363-R384 PolarHBondContact O-NE 3.01Å
364	V	82.1	Confident	88.1	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	145	171.3	158.8	0	0	0	0	109.1	K238 W239 Y241 R384 H386 M438	K238-V364 WeakPolarHBondContact CA-O 3.4Å; W239-V364 HydrophobicContact CD2-CG1 4.33Å; W239-V364 HydrophobicContact CH2-CG1 3.91Å; W239-V364 HydrophobicContact CZ2-CB 4.15Å; W239-V364 HydrophobicContact CZ2-CG1 3.41Å; W239-V364 VanDerWaalsContact CZ2-CG1 3.41Å; W239-V364 PolarHBondContact N-O 2.88Å; W239-V364 PolarHBondContact O-N 3.38Å; W239-V364 VanDerWaalsContact O-N 3.14Å; Y241-V364 HydrophobicContact CE2-CB 3.96Å; Y241-V364 HydrophobicContact CE2-CG2 3.45Å; Y241-V364 VanDerWaalsContact CE2-CG2 3.45Å; Y241-V364 WeakPolarHBondContact OH-CG2 3.4Å; V364-R384 WeakPolarHBondContact CA-O 3.46Å; V364-H386 HydrophobicContact CG2-CB 4.29Å; V364-M438 HydrophobicContact CG1-CE 3.9Å
365	G	84.4	Confident	89	Confident	8 Å²	8	42.7 Å²	42.7	8%	0.082	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.3	173.4	0	0	0	0	0	109.9	V237 H383 R384	V237-G365 CarbonylContact O-C 3.54Å; V237-G365 WeakPolarHBondContact O-CA 3.11Å; G365-H383 CarbonylContact O-C 3.52Å; G365-H383 WeakPolarHBondContact O-CA 3.25Å; G365-R384 PolarHBondContact N-O 3.05Å; G365-R384 PolarHBondContact O-N 3.31Å
366	H	90.2	Very high	90.1	Very high	19 Å²	19	32.4 Å²	32.4	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.2	173.7	-173.3	-98	0	0	0	109.3	T236 V237 Y370 L435 M438	T236-H366 CarbonylContact C-O 3.58Å; T236-H366 WeakPolarHBondContact CA-O 3.38Å; T236-H366 VanDerWaalsContact CG2-O 3.31Å; T236-H366 WeakPolarHBondContact CG2-O 3.39Å; V237-H366 PolarHBondContact N-O 3.32Å; V237-H366 PolarHBondContact O-N 2.95Å; H366-Y370 PolarHBondContact CD2-OH 2.72Å; H366-Y370 AromaticContact CE1-CE1 3.85Å; H366-Y370 AromaticContact NE2-CE1 3.35Å; H366-Y370 WeakPolarHBondContact NE2-CE1 3.31Å; H366-Y370 AromaticContact NE2-CZ 3.46Å; H366-Y370 PolarHBondContact NE2-OH 2.74Å; H366-L435 VanDerWaalsContact CE1-CD2 3.42Å; H366-L435 WeakPolarHBondContact CE1-CD2 3.3Å; H366-L435 WeakPolarHBondContact NE2-CD2 3.46Å; H366-M438 HydrophobicContact CB-CE 3.75Å; H366-M438 VanDerWaalsContact CD2-SD 3.57Å
367	A	90.6	Very high	90.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.4	170.3	0	0	0	0	0	108.7	I234 E369 Y370 A382	I234-A367 HydrophobicContact CG2-CB 4.06Å; A367-E369 WeakPolarHBondContact CB-O 3.31Å; A367-E369 PolarHBondContact O-N 2.97Å; A367-Y370 HydrophobicContact CB-CD1 4.34Å; A367-A382 WeakPolarHBondContact CB-O 3.22Å; A367-A382 PolarHBondContact N-O 2.87Å
368	S	89.9	Confident	91.2	Very high	47 Å²	47	28.7 Å²	28.7	33%	0.329	15%	0.15	S	C	.	.	S	Bend	trans	-60.4	-27.5	177.8	58.9	0	0	0	0	112.1	P235 Q431	P235-S368 WeakPolarHBondContact CD-OG 3.35Å; P235-S368 PolarHBondContact O-N 2.81Å; P235-S368 PolarHBondContact O-OG 2.99Å; S368-Q431 PolarHBondContact O-NE2 3.37Å
369	E	93.4	Very high	91.3	Very high	59 Å²	59	25.9 Å²	25.9	28%	0.276	13%	0.133	S	C	.	.			trans	-139.3	139.4	-177.4	-61.9	173	-92	0	0	108.7	I234 A367 R372 E427	I234-E369 HydrophobicContact CG2-CB 4.27Å; I234-E369 WeakPolarHBondContact CG2-O 3.38Å; A367-E369 WeakPolarHBondContact CB-O 3.31Å; A367-E369 PolarHBondContact O-N 2.97Å; E369-R372 IonicContact OE1-CZ 2.71Å; E369-R372 VanDerWaalsContact OE1-CZ 3.29Å; E369-R372 IonicContact OE1-NH1 3.79Å; E369-R372 PolarHBondContact OE1-NH1 3.09Å; E369-R372 IonicContact OE1-NH2 2.87Å; E369-R372 PolarHBondContact OE1-NH2 3.05Å; E369-R372 IonicContact OE2-CZ 3.16Å; E369-R372 IonicContact OE2-NH1 3.56Å; E369-R372 PolarHBondContact OE2-NH1 3.29Å; E369-R372 IonicContact OE2-NH2 3.21Å; E369-E427 WeakPolarHBondContact CA-OE1 3.42Å; E369-E427 WeakPolarHBondContact CB-OE1 3.19Å
370	Y	95.7	Very high	91.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-97.1	-14.2	179.5	-67.5	9.3	0	0	0	111	H366 A367 A376 L377 A382 H383 Y426 E427 R430 Q431	H366-Y370 PolarHBondContact CD2-OH 2.72Å; H366-Y370 AromaticContact CE1-CE1 3.85Å; H366-Y370 AromaticContact NE2-CE1 3.35Å; H366-Y370 WeakPolarHBondContact NE2-CE1 3.31Å; H366-Y370 AromaticContact NE2-CZ 3.46Å; H366-Y370 PolarHBondContact NE2-OH 2.74Å; A367-Y370 HydrophobicContact CB-CD1 4.34Å; Y370-A376 CarbonylContact O-C 3.59Å; Y370-A376 WeakPolarHBondContact O-CA 3.26Å; Y370-L377 WeakPolarHBondContact O-CB 3.38Å; Y370-L377 PolarHBondContact O-N 2.76Å; Y370-A382 HydrophobicContact CD1-CB 3.86Å; Y370-A382 HydrophobicContact CD2-CB 4.18Å; Y370-A382 HydrophobicContact CE1-CB 4.01Å; Y370-A382 HydrophobicContact CE2-CB 4.29Å; Y370-A382 HydrophobicContact CG-CB 3.98Å; Y370-H383 AromaticContact CE2-CD2 3.71Å; Y370-H383 AromaticContact CZ-CD2 3.65Å; Y370-H383 PolarHBondContact OH-CD2 2.83Å; Y370-Y426 HydrophobicContact CD2-CE1 4.39Å; Y370-E427 PolarHBondContact N-OE1 3.36Å; Y370-R430 HydrophobicContact CD2-CB 4.11Å; Y370-R430 HydrophobicContact CE2-CB 3.94Å; Y370-Q431 HydrophobicContact CD2-CG 4.48Å; Y370-Q431 HydrophobicContact CE1-CG 4.3Å; Y370-Q431 HydrophobicContact CE2-CG 4.15Å
371	I	96.5	Very high	91.4	Very high	6 Å²	6	24 Å²	24	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.9	-172.4	61.2	91.3	0	0	0	112.6	V375 A376 I420 L423 L424 Y426 E427	I371-V375 CarbonylContact C-O 3.25Å; I371-V375 VanDerWaalsContact CA-O 3.31Å; I371-V375 WeakPolarHBondContact CA-O 3.43Å; I371-A376 HydrophobicContact CG2-CB 4.16Å; I371-I420 HydrophobicContact CD1-CD1 3.48Å; I371-I420 VanDerWaalsContact CD1-CD1 3.48Å; I371-I420 HydrophobicContact CD1-CG1 4.38Å; I371-L423 HydrophobicContact CB-CB 4.17Å; I371-L423 HydrophobicContact CG1-CB 4.49Å; I371-L423 HydrophobicContact CG2-CB 4.02Å; I371-L423 WeakPolarHBondContact CG2-O 3.5Å; I371-L424 HydrophobicContact CD1-CD2 3.78Å; I371-L424 HydrophobicContact CD1-CG 4.09Å; I371-Y426 HydrophobicContact CG2-CD1 3.75Å; I371-Y426 HydrophobicContact CG2-CE1 4.22Å; I371-E427 HydrophobicContact CG1-CB 3.89Å; I371-E427 HydrophobicContact CG1-CG 4.43Å; I371-E427 HydrophobicContact CG2-CB 4.32Å
372	R	93.9	Very high	91.4	Very high	79 Å²	79	20 Å²	20	30%	0.298	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	173.3	165.2	-74.2	-71.9	-177.1	-129.3	-1.6	108.1	L232 I234 E369 R374 V375	L232-R372 HydrophobicContact CB-CG 4.42Å; L232-R372 HydrophobicContact CD1-CB 4.15Å; L232-R372 HydrophobicContact CD1-CG 3.91Å; L232-R372 HydrophobicContact CD2-CB 4.1Å; L232-R372 HydrophobicContact CD2-CG 4.01Å; L232-R372 HydrophobicContact CG-CG 4.34Å; I234-R372 HydrophobicContact CD1-CG 3.99Å; I234-R372 HydrophobicContact CG1-CG 4.33Å; E369-R372 IonicContact OE1-CZ 2.71Å; E369-R372 VanDerWaalsContact OE1-CZ 3.29Å; E369-R372 IonicContact OE1-NH1 3.79Å; E369-R372 PolarHBondContact OE1-NH1 3.09Å; E369-R372 IonicContact OE1-NH2 2.87Å; E369-R372 PolarHBondContact OE1-NH2 3.05Å; E369-R372 IonicContact OE2-CZ 3.16Å; E369-R372 IonicContact OE2-NH1 3.56Å; E369-R372 PolarHBondContact OE2-NH1 3.29Å; E369-R372 IonicContact OE2-NH2 3.21Å; R372-R374 PolarHBondContact O-N 3.42Å; R372-V375 HydrophobicContact CB-CB 4.27Å; R372-V375 PolarHBondContact N-O 2.87Å; R372-V375 PolarHBondContact O-N 2.99Å
373	H	91.5	Very high	91.5	Very high	96 Å²	96	19.9 Å²	19.9	44%	0.444	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	118.8	174.4	-175.2	58.3	0	0	0	110.4	V375	H373-V375 PolarHBondContact O-N 2.77Å
374	R	94.6	Very high	91.8	Very high	25 Å²	25	23.6 Å²	23.6	9%	0.094	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	19.2	-175.8	-55.9	-172.6	174.3	-69.5	-7.8	116	P201 V203 K216 L218 R372 D416 G418	P201-R374 PolarHBondContact O-NE 3.39Å; V203-R374 HydrophobicContact CG2-CB 3.87Å; K216-R374 WeakPolarHBondContact O-CB 3.2Å; K216-R374 VanDerWaalsContact O-CD 3.3Å; K216-R374 WeakPolarHBondContact O-CD 3.42Å; K216-R374 WeakPolarHBondContact O-CG 3.48Å; K216-R374 PolarHBondContact O-NH1 2.91Å; L218-R374 PolarHBondContact N-O 3.18Å; R372-R374 PolarHBondContact O-N 3.42Å; R374-D416 IonicContact CZ-OD2 2.68Å; R374-D416 IonicContact NH1-OD1 2.71Å; R374-D416 PolarHBondContact NH1-OD1 2.86Å; R374-D416 VanDerWaalsContact NH1-OD1 3.16Å; R374-D416 IonicContact NH1-OD2 3.67Å; R374-D416 PolarHBondContact NH1-OD2 3.49Å; R374-D416 IonicContact NH2-OD2 3.47Å; R374-D416 PolarHBondContact NH2-OD2 2.86Å; R374-G418 PolarHBondContact N-O 2.89Å
375	V	96.7	Very high	91.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.7	176.5	-167.6	0	0	0	0	111.4	W190 V203 L218 V228 L232 I371 R372 H373	W190-V375 HydrophobicContact CE3-CG2 4Å; W190-V375 HydrophobicContact CZ3-CG2 3.62Å; V203-V375 HydrophobicContact CG2-CG2 4.11Å; L218-V375 HydrophobicContact CB-CG1 4.32Å; L218-V375 HydrophobicContact CB-CG2 4.31Å; L218-V375 HydrophobicContact CD2-CG1 4.22Å; L218-V375 HydrophobicContact CG-CG1 4.39Å; L218-V375 CarbonylContact O-C 3.59Å; L218-V375 VanDerWaalsContact O-CA 3.24Å; L218-V375 WeakPolarHBondContact O-CA 3.2Å; V228-V375 HydrophobicContact CG1-CG1 3.64Å; L232-V375 HydrophobicContact CD1-CB 4.01Å; L232-V375 HydrophobicContact CD1-CG1 3.71Å; L232-V375 HydrophobicContact CD1-CG2 4.27Å; L232-V375 HydrophobicContact CD2-CG2 4.39Å; I371-V375 CarbonylContact C-O 3.25Å; I371-V375 VanDerWaalsContact CA-O 3.31Å; I371-V375 WeakPolarHBondContact CA-O 3.43Å; R372-V375 HydrophobicContact CB-CB 4.27Å; R372-V375 PolarHBondContact N-O 2.87Å; R372-V375 PolarHBondContact O-N 2.99Å; H373-V375 PolarHBondContact O-N 2.77Å
376	A	98.1	Very high	90.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.6	168.6	0	0	0	0	0	110.6	L218 I219 G220 Y370 I371 L403 L423	L218-A376 PolarHBondContact O-N 3.03Å; I219-A376 CarbonylContact C-O 3.52Å; I219-A376 VanDerWaalsContact CA-O 3.31Å; I219-A376 WeakPolarHBondContact CA-O 3.15Å; G220-A376 PolarHBondContact N-O 3.06Å; Y370-A376 CarbonylContact O-C 3.59Å; Y370-A376 WeakPolarHBondContact O-CA 3.26Å; I371-A376 HydrophobicContact CG2-CB 4.16Å; A376-L403 HydrophobicContact CB-CD2 3.85Å; A376-L423 HydrophobicContact CB-CD2 4.28Å
377	L	98.1	Very high	89.5	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.9	175.6	-60.2	177.1	0	0	0	108.9	G220 V228 R229 I234 Y370 A382 Y426	G220-L377 WeakPolarHBondContact O-CA 3.5Å; V228-L377 HydrophobicContact CB-CD2 4.01Å; V228-L377 HydrophobicContact CG1-CD2 3.69Å; R229-L377 HydrophobicContact CB-CD1 3.78Å; R229-L377 HydrophobicContact CB-CD2 4.26Å; R229-L377 HydrophobicContact CG-CD1 3.8Å; I234-L377 HydrophobicContact CD1-CD1 3.77Å; Y370-L377 WeakPolarHBondContact O-CB 3.38Å; Y370-L377 PolarHBondContact O-N 2.76Å; L377-A382 HydrophobicContact CB-CB 3.88Å; L377-Y426 PolarHBondContact O-OH 3.39Å; L377-Y426 VanDerWaalsContact O-OH 3.12Å
378	I	97.6	Very high	88.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.121	C	C	.	.			trans	-133.8	155.2	179.6	67.8	177.8	0	0	0	111.8	V59 M63 I219 G220 A221 A381 D399 V400 L403	V59-I378 HydrophobicContact CG1-CB 4.3Å; V59-I378 HydrophobicContact CG1-CD1 3.65Å; V59-I378 HydrophobicContact CG1-CG1 3.78Å; M63-I378 HydrophobicContact CB-CD1 3.93Å; M63-I378 HydrophobicContact CE-CD1 4Å; M63-I378 HydrophobicContact CE-CG2 4.38Å; M63-I378 HydrophobicContact CG-CD1 4.19Å; I219-I378 HydrophobicContact CG2-CD1 3.74Å; I219-I378 HydrophobicContact CG2-CG1 4.01Å; I219-I378 HydrophobicContact CG2-CG2 4.11Å; G220-I378 PolarHBondContact O-N 2.93Å; A221-I378 HydrophobicContact CB-CD1 3.96Å; A221-I378 HydrophobicContact CB-CG1 3.72Å; I378-A381 WeakPolarHBondContact O-CB 3.23Å; I378-A381 PolarHBondContact O-N 3.28Å; I378-D399 HydrophobicContact CB-CB 3.95Å; I378-D399 HydrophobicContact CG2-CB 4.06Å; I378-V400 HydrophobicContact CD1-CG2 4.23Å; I378-L403 HydrophobicContact CG2-CD2 3.91Å
379	G	94.3	Very high	86.7	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.021	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	58.4	-145	-179.9	0	0	0	0	0	112.8	A381 A382 H383 D399	G379-A381 PolarHBondContact O-N 3.42Å; G379-A382 WeakPolarHBondContact O-CA 3.47Å; G379-A382 PolarHBondContact O-N 2.82Å; G379-H383 CarbonylContact C-O 3.58Å; G379-H383 PolarHBondContact O-N 3.25Å; G379-D399 PolarHBondContact N-OD2 2.84Å
380	D	91.6	Very high	85.3	Confident	59 Å²	59	21.3 Å²	21.3	32%	0.316	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-57.2	-16.9	-179.1	-76.4	17.3	0	0	0	114.6	G223 P224 A382 H383	G223-D380 CarbonylContact O-C 3.29Å; P224-D380 WeakPolarHBondContact CA-O 3.09Å; P224-D380 HydrophobicContact CB-CB 4.37Å; D380-A382 VanDerWaalsContact C-N 3.3Å; D380-H383 WeakPolarHBondContact CA-O 3.35Å
381	A	89.9	Confident	84	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-68.4	-31.3	171.2	0	0	0	0	0	112	G220 G223 R229 I378 G379	G220-A381 WeakPolarHBondContact O-CB 3.31Å; G223-A381 WeakPolarHBondContact O-CA 3.21Å; G223-A381 PolarHBondContact O-N 3.48Å; R229-A381 WeakPolarHBondContact CD-O 3.48Å; R229-A381 PolarHBondContact NH1-O 3.34Å; I378-A381 WeakPolarHBondContact O-CB 3.23Å; I378-A381 PolarHBondContact O-N 3.28Å; G379-A381 PolarHBondContact O-N 3.42Å
382	A	86.5	Confident	83.2	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-46.6	176.9	0	0	0	0	0	112.3	A367 Y370 L377 G379 D380	A367-A382 WeakPolarHBondContact CB-O 3.22Å; A367-A382 PolarHBondContact N-O 2.87Å; Y370-A382 HydrophobicContact CD1-CB 3.86Å; Y370-A382 HydrophobicContact CD2-CB 4.18Å; Y370-A382 HydrophobicContact CE1-CB 4.01Å; Y370-A382 HydrophobicContact CE2-CB 4.29Å; Y370-A382 HydrophobicContact CG-CB 3.98Å; L377-A382 HydrophobicContact CB-CB 3.88Å; G379-A382 WeakPolarHBondContact O-CA 3.47Å; G379-A382 PolarHBondContact O-N 2.82Å; D380-A382 VanDerWaalsContact C-N 3.3Å
383	H	86.8	Confident	83	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	119.5	-174.9	49.9	84.7	0	0	0	110.8	G365 Y370 G379 D380 L395 D399 N434 M438	G365-H383 CarbonylContact O-C 3.52Å; G365-H383 WeakPolarHBondContact O-CA 3.25Å; Y370-H383 AromaticContact CE2-CD2 3.71Å; Y370-H383 AromaticContact CZ-CD2 3.65Å; Y370-H383 PolarHBondContact OH-CD2 2.83Å; G379-H383 CarbonylContact C-O 3.58Å; G379-H383 PolarHBondContact O-N 3.25Å; D380-H383 WeakPolarHBondContact CA-O 3.35Å; H383-L395 VanDerWaalsContact CE1-CB 3.5Å; H383-L395 WeakPolarHBondContact CE1-CB 3.44Å; H383-D399 IonicContact CD2-OD2 3.31Å; H383-D399 IonicContact CE1-OD2 3.15Å; H383-D399 PolarHBondContact CE1-OD2 2.89Å; H383-D399 VanDerWaalsContact CE1-OD2 3.31Å; H383-D399 IonicContact NE2-OD1 3.38Å; H383-D399 PolarHBondContact NE2-OD1 3.17Å; H383-D399 IonicContact NE2-OD2 3.63Å; H383-D399 PolarHBondContact NE2-OD2 2.88Å; H383-N434 PolarHBondContact CD2-ND2 2.91Å; H383-N434 PolarHBondContact NE2-ND2 3.38Å; H383-M438 HydrophobicContact CB-CE 4.32Å; H383-M438 HydrophobicContact CB-SD 3.78Å
384	R	84.9	Confident	83	Confident	81 Å²	81	15.9 Å²	15.9	31%	0.306	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.8	172	-177.3	-168.7	-178.3	-174.8	-6.5	107.7	P361 G363 V364 G365	P361-R384 PolarHBondContact O-NH2 3.06Å; P361-R384 VanDerWaalsContact O-NH2 3.11Å; G363-R384 PolarHBondContact O-NE 3.01Å; V364-R384 WeakPolarHBondContact CA-O 3.46Å; G365-R384 PolarHBondContact N-O 3.05Å; G365-R384 PolarHBondContact O-N 3.31Å
385	V	76	Confident	82.9	Confident	13 Å²	13	15 Å²	15	8%	0.079	9%	0.087	C	C	.	.			trans	-110.9	157.6	-178	-55.8	0	0	0	0	112.5	L395 M438	V385-L395 HydrophobicContact CB-CD1 4.43Å; V385-L395 HydrophobicContact CG1-CD1 3.52Å; V385-L395 HydrophobicContact CG2-CD1 4.1Å; V385-M438 HydrophobicContact CG1-CE 4.14Å; V385-M438 HydrophobicContact CG1-CG 3.53Å; V385-M438 HydrophobicContact CG1-SD 4.06Å
386	H	72.1	Confident	82.8	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.			trans	-60.5	136.8	169.4	-169.9	-68.7	0	0	0	108.9	Y241 V364 L388 I441	Y241-H386 AromaticContact CD2-CD2 3.53Å; Y241-H386 HydrophobicContact CE2-CB 3.9Å; Y241-H386 AromaticContact CE2-CD2 3.54Å; V364-H386 HydrophobicContact CG2-CB 4.29Å; H386-L388 HydrophobicContact CB-CD1 4.35Å; H386-L388 WeakPolarHBondContact ND1-CG 3.46Å; H386-L388 PolarHBondContact ND1-N 3.3Å; H386-L388 PolarHBondContact O-N 2.83Å; H386-I441 HydrophobicContact CB-CG2 3.9Å
387	P	61.8	Low	82.7	Confident	37 Å²	37	15.1 Å²	15.1	24%	0.24	9%	0.088	C	C	.	.			trans	-73.4	32.2	-177.3	31.5	-37.7	0	0	0	114.2	F360 L362 A389 G390	F360-P387 HydrophobicContact CE2-CG 4.48Å; L362-P387 HydrophobicContact CD2-CG 3.42Å; L362-P387 VanDerWaalsContact CD2-CG 3.42Å; P387-A389 PolarHBondContact O-N 2.76Å; P387-G390 PolarHBondContact O-N 3.09Å; P387-G390 VanDerWaalsContact O-N 3.16Å
388	L	64.3	Low	82.6	Confident	13 Å²	13	15.5 Å²	15.5	7%	0.068	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-57.5	115.8	169.7	-85.3	152.8	0	0	0	108	F265 P270 H386 G390 I441 K445	F265-L388 HydrophobicContact CE1-CD2 3.84Å; F265-L388 HydrophobicContact CZ-CD2 3.97Å; P270-L388 HydrophobicContact CB-CD2 4.19Å; P270-L388 HydrophobicContact CG-CD2 3.97Å; H386-L388 HydrophobicContact CB-CD1 4.35Å; H386-L388 WeakPolarHBondContact ND1-CG 3.46Å; H386-L388 PolarHBondContact ND1-N 3.3Å; H386-L388 PolarHBondContact O-N 2.83Å; L388-G390 PolarHBondContact O-N 3.22Å; L388-G390 VanDerWaalsContact O-N 3.17Å; L388-I441 HydrophobicContact CB-CG2 4.34Å; L388-I441 HydrophobicContact CD1-CG2 3.61Å; L388-K445 HydrophobicContact CD1-CB 4.31Å
389	A	56.7	Low	82.6	Confident	14 Å²	14	15.5 Å²	15.5	12%	0.116	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	55.8	20.8	-174.9	0	0	0	0	0	117.2	S102 M131 P387 Q391	S102-A389 WeakPolarHBondContact CB-O 3.36Å; M131-A389 HydrophobicContact SD-CB 4.28Å; P387-A389 PolarHBondContact O-N 2.76Å; A389-Q391 VanDerWaalsContact C-N 3.32Å; A389-Q391 HydrophobicContact CB-CG 4.36Å; A389-Q391 PolarHBondContact O-N 3.41Å
390	G	64.9	Low	82.8	Confident	17 Å²	17	15.4 Å²	15.4	18%	0.175	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	68.5	23.5	172.4	0	0	0	0	0	115.8	P387 L388 G392	P387-G390 PolarHBondContact O-N 3.09Å; P387-G390 VanDerWaalsContact O-N 3.16Å; L388-G390 PolarHBondContact O-N 3.22Å; L388-G390 VanDerWaalsContact O-N 3.17Å; G390-G392 VanDerWaalsContact C-N 3.35Å; G390-G392 PolarHBondContact O-N 2.89Å
391	Q	68.3	Low	83.1	Confident	28 Å²	28	14.7 Å²	14.7	13%	0.131	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.6	-171.7	-67.1	-66.2	-16.2	0	0	115.7	A389 V393 N394	A389-Q391 VanDerWaalsContact C-N 3.32Å; A389-Q391 HydrophobicContact CB-CG 4.36Å; A389-Q391 PolarHBondContact O-N 3.41Å; Q391-V393 VanDerWaalsContact C-N 3.33Å; Q391-V393 PolarHBondContact O-N 2.84Å; Q391-N394 WeakPolarHBondContact O-CB 3.36Å; Q391-N394 PolarHBondContact O-N 3.22Å; Q391-N394 VanDerWaalsContact O-N 3.08Å; Q391-N394 PolarHBondContact OE1-ND2 3.15Å
392	G	78.6	Confident	83.4	Confident	19 Å²	19	15.9 Å²	15.9	20%	0.196	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-38.1	-168.3	0	0	0	0	0	114.7	G390 N394	G390-G392 VanDerWaalsContact C-N 3.35Å; G390-G392 PolarHBondContact O-N 2.89Å; G392-N394 VanDerWaalsContact C-N 3.33Å; G392-N394 PolarHBondContact O-N 3.03Å
393	V	89.8	Confident	84	Confident	15 Å²	15	15.9 Å²	15.9	9%	0.091	10%	0.101	C	C	.	.	H	α-helix	trans	-69.7	-30.9	179.3	74.5	0	0	0	0	112.5	M58 I103 Q391 L395 G396 F397	M58-V393 HydrophobicContact CB-CG2 4.24Å; M58-V393 HydrophobicContact CE-CB 4.25Å; M58-V393 HydrophobicContact CE-CG2 3.66Å; M58-V393 HydrophobicContact SD-CG2 3.99Å; I103-V393 HydrophobicContact CD1-CG1 3.83Å; Q391-V393 VanDerWaalsContact C-N 3.33Å; Q391-V393 PolarHBondContact O-N 2.84Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 3.37Å; V393-G396 PolarHBondContact O-N 3.28Å; V393-G396 VanDerWaalsContact O-N 3.14Å; V393-F397 HydrophobicContact CB-CE2 4.44Å; V393-F397 HydrophobicContact CG1-CD2 4.48Å; V393-F397 HydrophobicContact CG1-CE2 4.22Å; V393-F397 HydrophobicContact CG2-CD2 3.98Å; V393-F397 HydrophobicContact CG2-CE1 4.47Å; V393-F397 HydrophobicContact CG2-CE2 3.5Å; V393-F397 VanDerWaalsContact CG2-CE2 3.5Å; V393-F397 HydrophobicContact CG2-CZ 3.78Å; V393-F397 WeakPolarHBondContact O-CD2 3.5Å; V393-F397 PolarHBondContact O-N 3.08Å
394	N	92.6	Very high	84.5	Confident	4 Å²	4	16.2 Å²	16.2	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-39.6	-179	-59.9	-40.8	0	0	0	111.2	S102 S104 S107 Q391 G392 G396 F397 G398	S102-N394 PolarHBondContact O-ND2 2.85Å; S102-N394 PolarHBondContact O-OD1 2.86Å; S104-N394 PolarHBondContact N-OD1 3.17Å; S104-N394 VanDerWaalsContact N-OD1 3.09Å; S107-N394 WeakPolarHBondContact CB-OD1 3.22Å; S107-N394 WeakPolarHBondContact OG-CA 3.42Å; S107-N394 PolarHBondContact OG-OD1 2.95Å; Q391-N394 WeakPolarHBondContact O-CB 3.36Å; Q391-N394 PolarHBondContact O-N 3.22Å; Q391-N394 VanDerWaalsContact O-N 3.08Å; Q391-N394 PolarHBondContact OE1-ND2 3.15Å; G392-N394 VanDerWaalsContact C-N 3.33Å; G392-N394 PolarHBondContact O-N 3.03Å; N394-G396 VanDerWaalsContact C-N 3.29Å; N394-G396 PolarHBondContact O-N 3.49Å; N394-F397 PolarHBondContact O-N 3.41Å; N394-G398 PolarHBondContact O-N 3.33Å
395	L	91.3	Very high	85.2	Confident	8 Å²	8	17.7 Å²	17.7	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-40.3	174.4	-61.6	176.9	0	0	0	111.5	H383 V385 V393 G398 D399 R430 M437	H383-L395 VanDerWaalsContact CE1-CB 3.5Å; H383-L395 WeakPolarHBondContact CE1-CB 3.44Å; V385-L395 HydrophobicContact CB-CD1 4.43Å; V385-L395 HydrophobicContact CG1-CD1 3.52Å; V385-L395 HydrophobicContact CG2-CD1 4.1Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 3.37Å; L395-G398 PolarHBondContact O-N 2.95Å; L395-D399 VanDerWaalsContact O-CG 3.3Å; L395-D399 PolarHBondContact O-N 2.96Å; L395-D399 VanDerWaalsContact O-N 3.07Å; L395-R430 PolarHBondContact O-NH2 3.21Å; L395-M437 HydrophobicContact CD2-CG 4.48Å
396	G	94.9	Very high	86.2	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-39.7	175.5	0	0	0	0	0	113.1	V393 N394 D399 V400	V393-G396 PolarHBondContact O-N 3.28Å; V393-G396 VanDerWaalsContact O-N 3.14Å; N394-G396 VanDerWaalsContact C-N 3.29Å; N394-G396 PolarHBondContact O-N 3.49Å; G396-D399 WeakPolarHBondContact O-CB 3.12Å; G396-D399 PolarHBondContact O-N 3.38Å; G396-V400 PolarHBondContact O-N 2.9Å; G396-V400 VanDerWaalsContact O-N 3.15Å
397	F	96.5	Very high	87.4	Confident	3 Å²	3	17.4 Å²	17.4	1%	0.013	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-37.4	173.1	-72.1	-38	0	0	0	112.4	M58 A62 I103 L110 L111 V162 V393 N394 D399 V400 A401	M58-F397 HydrophobicContact CB-CE1 4.43Å; M58-F397 HydrophobicContact CB-CZ 4.18Å; A62-F397 HydrophobicContact CB-CD1 4.08Å; A62-F397 HydrophobicContact CB-CE1 3.76Å; I103-F397 HydrophobicContact CD1-CE2 4.22Å; L110-F397 HydrophobicContact CD2-CB 3.62Å; L110-F397 HydrophobicContact CD2-CD1 3.87Å; L110-F397 HydrophobicContact CD2-CG 4.01Å; L110-F397 WeakPolarHBondContact CD2-O 3.16Å; L111-F397 HydrophobicContact CD1-CE2 4.2Å; L111-F397 HydrophobicContact CD1-CZ 4.46Å; L111-F397 HydrophobicContact CD2-CE1 4.24Å; L111-F397 HydrophobicContact CD2-CE2 4.47Å; L111-F397 HydrophobicContact CD2-CZ 4Å; V162-F397 HydrophobicContact CG1-CZ 4.04Å; V393-F397 HydrophobicContact CB-CE2 4.44Å; V393-F397 HydrophobicContact CG1-CD2 4.48Å; V393-F397 HydrophobicContact CG1-CE2 4.22Å; V393-F397 HydrophobicContact CG2-CD2 3.98Å; V393-F397 HydrophobicContact CG2-CE1 4.47Å; V393-F397 HydrophobicContact CG2-CE2 3.5Å; V393-F397 VanDerWaalsContact CG2-CE2 3.5Å; V393-F397 HydrophobicContact CG2-CZ 3.78Å; V393-F397 WeakPolarHBondContact O-CD2 3.5Å; V393-F397 PolarHBondContact O-N 3.08Å; N394-F397 PolarHBondContact O-N 3.41Å; F397-D399 VanDerWaalsContact C-N 3.25Å; F397-D399 PolarHBondContact O-N 3.37Å; F397-V400 WeakPolarHBondContact O-CB 3.35Å; F397-V400 PolarHBondContact O-N 3.37Å; F397-V400 VanDerWaalsContact O-N 3.08Å; F397-A401 PolarHBondContact O-N 2.84Å
398	G	95.6	Very high	89.2	Confident	9 Å²	9	16.2 Å²	16.2	9%	0.093	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-35.4	170.9	0	0	0	0	0	112.7	N394 L395 C402	N394-G398 PolarHBondContact O-N 3.33Å; L395-G398 PolarHBondContact O-N 2.95Å; G398-C402 WeakPolarHBondContact O-CB 3.19Å; G398-C402 PolarHBondContact O-N 3.46Å
399	D	97.2	Very high	90.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-42.7	172.5	-59.8	-26.5	0	0	0	111.8	I378 G379 H383 L395 G396 F397 C402 L403 Y426 R430 N434	I378-D399 HydrophobicContact CB-CB 3.95Å; I378-D399 HydrophobicContact CG2-CB 4.06Å; G379-D399 PolarHBondContact N-OD2 2.84Å; H383-D399 IonicContact CD2-OD2 3.31Å; H383-D399 IonicContact CE1-OD2 3.15Å; H383-D399 PolarHBondContact CE1-OD2 2.89Å; H383-D399 VanDerWaalsContact CE1-OD2 3.31Å; H383-D399 IonicContact NE2-OD1 3.38Å; H383-D399 PolarHBondContact NE2-OD1 3.17Å; H383-D399 IonicContact NE2-OD2 3.63Å; H383-D399 PolarHBondContact NE2-OD2 2.88Å; L395-D399 VanDerWaalsContact O-CG 3.3Å; L395-D399 PolarHBondContact O-N 2.96Å; L395-D399 VanDerWaalsContact O-N 3.07Å; G396-D399 WeakPolarHBondContact O-CB 3.12Å; G396-D399 PolarHBondContact O-N 3.38Å; F397-D399 VanDerWaalsContact C-N 3.25Å; F397-D399 PolarHBondContact O-N 3.37Å; D399-C402 PolarHBondContact O-N 3.3Å; D399-L403 VanDerWaalsContact O-CB 3.27Å; D399-L403 WeakPolarHBondContact O-CB 3.47Å; D399-L403 PolarHBondContact O-N 2.97Å; D399-Y426 HydrophobicContact CB-CE2 4.17Å; D399-Y426 WeakPolarHBondContact CB-OH 3.23Å; D399-R430 IonicContact OD1-CZ 2.78Å; D399-R430 IonicContact OD1-NE 3.29Å; D399-R430 PolarHBondContact OD1-NE 3.35Å; D399-R430 IonicContact OD1-NH2 2.83Å; D399-R430 PolarHBondContact OD1-NH2 3.46Å; D399-N434 PolarHBondContact OD1-ND2 2.79Å
400	V	98.3	Very high	92.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-48.7	178.1	173.1	0	0	0	0	110.7	V59 A62 M63 L110 I378 G396 F397 T404	V59-V400 HydrophobicContact CG1-CG2 3.76Å; V59-V400 WeakPolarHBondContact O-CG2 3.12Å; A62-V400 HydrophobicContact CB-CG2 4.49Å; M63-V400 HydrophobicContact CB-CG1 4.42Å; M63-V400 HydrophobicContact CB-CG2 4.09Å; M63-V400 HydrophobicContact SD-CG1 4.2Å; L110-V400 HydrophobicContact CD1-CG1 4.21Å; L110-V400 HydrophobicContact CD2-CB 3.98Å; L110-V400 HydrophobicContact CD2-CG1 4.01Å; I378-V400 HydrophobicContact CD1-CG2 4.23Å; G396-V400 PolarHBondContact O-N 2.9Å; G396-V400 VanDerWaalsContact O-N 3.15Å; F397-V400 WeakPolarHBondContact O-CB 3.35Å; F397-V400 PolarHBondContact O-N 3.37Å; F397-V400 VanDerWaalsContact O-N 3.08Å; V400-T404 VanDerWaalsContact O-CB 3.22Å; V400-T404 WeakPolarHBondContact O-CB 3.23Å; V400-T404 PolarHBondContact O-N 3.44Å; V400-T404 PolarHBondContact O-OG1 3.33Å
401	A	97.4	Very high	94.2	Very high	45 Å²	45	19 Å²	19	37%	0.372	11%	0.113	S	C	.	.	H	α-helix	trans	-59.6	-49.8	179.4	0	0	0	0	0	111.5	L110 F397 H405	L110-A401 HydrophobicContact CD1-CB 4.22Å; F397-A401 PolarHBondContact O-N 2.84Å; A401-H405 WeakPolarHBondContact O-CB 3.46Å; A401-H405 PolarHBondContact O-N 2.9Å; A401-H405 VanDerWaalsContact O-N 3.09Å
402	C	97.7	Very high	95.5	Very high	25 Å²	25	24.8 Å²	24.8	17%	0.169	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-49.5	-179	-179.9	0	0	0	0	112.4	G398 D399 H405 L406 Y426 R430	G398-C402 WeakPolarHBondContact O-CB 3.19Å; G398-C402 PolarHBondContact O-N 3.46Å; D399-C402 PolarHBondContact O-N 3.3Å; C402-H405 WeakPolarHBondContact O-CB 3.36Å; C402-H405 PolarHBondContact O-N 2.6Å; C402-L406 WeakPolarHBondContact O-CG 3.2Å; C402-L406 PolarHBondContact O-N 2.87Å; C402-L406 VanDerWaalsContact O-N 3.08Å; C402-Y426 HydrophobicContact CB-CD2 4.35Å; C402-R430 HydrophobicContact CB-CG 4.36Å
403	L	98.3	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-36.5	-177.5	-176.9	54.4	0	0	0	111.7	M63 I219 A376 I378 D399 H405 L406 L407 L423 Y426	M63-L403 HydrophobicContact CE-CB 3.69Å; M63-L403 HydrophobicContact CE-CD2 3.53Å; M63-L403 HydrophobicContact CE-CG 3.7Å; I219-L403 HydrophobicContact CD1-CD2 4.17Å; A376-L403 HydrophobicContact CB-CD2 3.85Å; I378-L403 HydrophobicContact CG2-CD2 3.91Å; D399-L403 VanDerWaalsContact O-CB 3.27Å; D399-L403 WeakPolarHBondContact O-CB 3.47Å; D399-L403 PolarHBondContact O-N 2.97Å; L403-H405 VanDerWaalsContact C-N 3.33Å; L403-H405 PolarHBondContact O-N 2.88Å; L403-L406 PolarHBondContact O-N 3.02Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CD2 4.41Å; L403-L407 HydrophobicContact CD1-CG 3.91Å; L403-L407 HydrophobicContact CG-CD1 3.9Å; L403-L407 HydrophobicContact CG-CG 4.3Å; L403-L407 WeakPolarHBondContact O-CB 3.42Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.97Å; L403-L423 HydrophobicContact CD1-CD2 4.06Å; L403-Y426 HydrophobicContact CB-CD2 3.61Å; L403-Y426 HydrophobicContact CB-CE2 3.7Å; L403-Y426 HydrophobicContact CB-CG 4.32Å; L403-Y426 HydrophobicContact CD1-CD1 4.44Å; L403-Y426 HydrophobicContact CD1-CD2 4.13Å; L403-Y426 HydrophobicContact CD1-CG 3.98Å; L403-Y426 HydrophobicContact CD2-CE2 4.42Å; L403-Y426 HydrophobicContact CG-CD2 4.31Å
404	T	98.2	Very high	96.5	Very high	10 Å²	10	30.8 Å²	30.8	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-47.9	171.8	-58.8	0	0	0	0	110.5	S66 L67 V400 L406 L407 S408	S66-T404 WeakPolarHBondContact CB-OG1 3.45Å; S66-T404 WeakPolarHBondContact OG-CB 3.13Å; S66-T404 VanDerWaalsContact OG-CG2 3.26Å; S66-T404 WeakPolarHBondContact OG-CG2 3.45Å; S66-T404 PolarHBondContact OG-OG1 3.35Å; L67-T404 HydrophobicContact CD2-CG2 4.27Å; V400-T404 VanDerWaalsContact O-CB 3.22Å; V400-T404 WeakPolarHBondContact O-CB 3.23Å; V400-T404 PolarHBondContact O-N 3.44Å; V400-T404 PolarHBondContact O-OG1 3.33Å; T404-L406 PolarHBondContact O-N 2.91Å; T404-L407 PolarHBondContact O-N 3.05Å; T404-S408 VanDerWaalsContact O-CB 3.27Å; T404-S408 WeakPolarHBondContact O-CB 3.29Å; T404-S408 PolarHBondContact O-N 3.2Å
405	H	97.8	Very high	96.6	Very high	111 Å²	111	36.3 Å²	36.3	51%	0.514	21%	0.205	S	C	.	.	H	α-helix	trans	-58.4	-47.5	-179.9	-178.3	68.1	0	0	0	112.3	A401 C402 L403 S408 Q409	A401-H405 WeakPolarHBondContact O-CB 3.46Å; A401-H405 PolarHBondContact O-N 2.9Å; A401-H405 VanDerWaalsContact O-N 3.09Å; C402-H405 WeakPolarHBondContact O-CB 3.36Å; C402-H405 PolarHBondContact O-N 2.6Å; L403-H405 VanDerWaalsContact C-N 3.33Å; L403-H405 PolarHBondContact O-N 2.88Å; H405-S408 WeakPolarHBondContact O-CB 3.26Å; H405-S408 PolarHBondContact O-N 2.89Å; H405-Q409 PolarHBondContact CD2-NE2 2.93Å; H405-Q409 PolarHBondContact CE1-NE2 3.2Å; H405-Q409 PolarHBondContact NE2-NE2 2.97Å; H405-Q409 WeakPolarHBondContact O-CG 3.37Å; H405-Q409 PolarHBondContact O-N 3.31Å
406	L	98	Very high	96.7	Very high	8 Å²	8	39 Å²	39	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-38.3	179.9	-69	170.2	0	0	0	112.5	C402 L403 T404 A410 E425 Y426	C402-L406 WeakPolarHBondContact O-CG 3.2Å; C402-L406 PolarHBondContact O-N 2.87Å; C402-L406 VanDerWaalsContact O-N 3.08Å; L403-L406 PolarHBondContact O-N 3.02Å; T404-L406 PolarHBondContact O-N 2.91Å; L406-A410 WeakPolarHBondContact O-CB 3.08Å; L406-A410 PolarHBondContact O-N 2.94Å; L406-E425 HydrophobicContact CD1-CB 4.31Å; L406-E425 HydrophobicContact CD1-CG 4.28Å; L406-E425 HydrophobicContact CD2-CB 4.41Å; L406-E425 VanDerWaalsContact CD2-CD 3.49Å; L406-E425 HydrophobicContact CD2-CG 3.91Å; L406-Y426 VanDerWaalsContact CD1-CA 3.42Å
407	L	98.3	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-37.1	175.4	-68.1	175.4	0	0	0	112.2	L67 L73 L217 I219 L403 T404 A410 A411 L417	L67-L407 HydrophobicContact CD1-CD1 4.49Å; L67-L407 HydrophobicContact CD2-CB 4.34Å; L67-L407 HydrophobicContact CD2-CD1 3.78Å; L73-L407 HydrophobicContact CD1-CB 4.41Å; L217-L407 HydrophobicContact CD2-CD1 3.75Å; L217-L407 HydrophobicContact CD2-CD2 3.64Å; L217-L407 HydrophobicContact CD2-CG 4.37Å; I219-L407 HydrophobicContact CD1-CD1 4.39Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CD2 4.41Å; L403-L407 HydrophobicContact CD1-CG 3.91Å; L403-L407 HydrophobicContact CG-CD1 3.9Å; L403-L407 HydrophobicContact CG-CG 4.3Å; L403-L407 WeakPolarHBondContact O-CB 3.42Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.97Å; T404-L407 PolarHBondContact O-N 3.05Å; L407-A410 PolarHBondContact O-N 3.5Å; L407-A411 WeakPolarHBondContact O-CB 3.29Å; L407-A411 PolarHBondContact O-N 2.95Å; L407-L417 HydrophobicContact CB-CD2 4.49Å; L407-L417 HydrophobicContact CD2-CB 4.19Å; L407-L417 HydrophobicContact CD2-CD2 4.23Å
408	S	97.9	Very high	96.5	Very high	12 Å²	12	39.1 Å²	39.1	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-48.5	173.6	-174.8	0	0	0	0	111.1	D70 N72 T404 H405 A410 A411 F412	D70-S408 PolarHBondContact OD1-OG 2.81Å; D70-S408 WeakPolarHBondContact OD2-CB 3.18Å; D70-S408 PolarHBondContact OD2-OG 3.36Å; N72-S408 PolarHBondContact ND2-OG 3.41Å; T404-S408 VanDerWaalsContact O-CB 3.27Å; T404-S408 WeakPolarHBondContact O-CB 3.29Å; T404-S408 PolarHBondContact O-N 3.2Å; H405-S408 WeakPolarHBondContact O-CB 3.26Å; H405-S408 PolarHBondContact O-N 2.89Å; S408-A410 PolarHBondContact O-N 2.95Å; S408-A411 PolarHBondContact O-N 2.87Å; S408-F412 WeakPolarHBondContact O-CB 3.39Å; S408-F412 PolarHBondContact O-N 2.83Å
409	Q	97.8	Very high	96.3	Very high	83 Å²	83	39.7 Å²	39.7	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-41	174.4	-71.2	-169	23	0	0	112.7	H405 A411 F412 N413	H405-Q409 PolarHBondContact CD2-NE2 2.93Å; H405-Q409 PolarHBondContact CE1-NE2 3.2Å; H405-Q409 PolarHBondContact NE2-NE2 2.97Å; H405-Q409 WeakPolarHBondContact O-CG 3.37Å; H405-Q409 PolarHBondContact O-N 3.31Å; Q409-A411 VanDerWaalsContact C-N 3.34Å; Q409-F412 PolarHBondContact O-N 2.98Å; Q409-N413 WeakPolarHBondContact O-CB 3.37Å; Q409-N413 VanDerWaalsContact O-CG 3.31Å; Q409-N413 PolarHBondContact O-N 3Å; Q409-N413 PolarHBondContact O-ND2 3.22Å
410	A	96.6	Very high	96.1	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-44.9	176.6	0	0	0	0	0	110.9	L406 L407 S408 N413 G414 K415 L417	L406-A410 WeakPolarHBondContact O-CB 3.08Å; L406-A410 PolarHBondContact O-N 2.94Å; L407-A410 PolarHBondContact O-N 3.5Å; S408-A410 PolarHBondContact O-N 2.95Å; A410-N413 CarbonylContact O-C 3.58Å; A410-N413 PolarHBondContact O-N 3.15Å; A410-G414 PolarHBondContact O-N 3.02Å; A410-K415 HydrophobicContact CB-CB 4.17Å; A410-K415 WeakPolarHBondContact O-CB 3.49Å; A410-K415 PolarHBondContact O-N 2.74Å; A410-L417 HydrophobicContact CB-CD2 4.34Å
411	A	96.8	Very high	95.9	Very high	15 Å²	15	48.7 Å²	48.7	12%	0.124	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-46.2	177.5	0	0	0	0	0	112.4	N72 L73 L407 S408 Q409 N413 G414 L417	N72-A411 HydrophobicContact CB-CB 4.3Å; N72-A411 WeakPolarHBondContact O-CB 2.97Å; L73-A411 HydrophobicContact CD2-CB 3.57Å; L73-A411 HydrophobicContact CG-CB 4.39Å; L407-A411 WeakPolarHBondContact O-CB 3.29Å; L407-A411 PolarHBondContact O-N 2.95Å; S408-A411 PolarHBondContact O-N 2.87Å; Q409-A411 VanDerWaalsContact C-N 3.34Å; A411-N413 VanDerWaalsContact C-N 3.27Å; A411-N413 PolarHBondContact O-N 3.26Å; A411-G414 PolarHBondContact O-N 3.2Å; A411-L417 HydrophobicContact CB-CD2 4.14Å
412	F	97	Very high	95.7	Very high	150 Å²	150	47.1 Å²	47.1	66%	0.658	25%	0.252	S	S	*	.	H	α-helix	trans	-57.7	-40.7	176.5	-178.9	-97.4	0	0	0	112	N72 S408 Q409 G414	N72-F412 HydrophobicContact CB-CB 4.45Å; S408-F412 WeakPolarHBondContact O-CB 3.39Å; S408-F412 PolarHBondContact O-N 2.83Å; Q409-F412 PolarHBondContact O-N 2.98Å; F412-G414 PolarHBondContact O-N 3.24Å
413	N	96.1	Very high	95.7	Very high	92 Å²	92	46 Å²	46	49%	0.492	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	4.6	177.7	-67.9	-48.9	0	0	0	114.1	Q409 A410 A411 K415	Q409-N413 WeakPolarHBondContact O-CB 3.37Å; Q409-N413 VanDerWaalsContact O-CG 3.31Å; Q409-N413 PolarHBondContact O-N 3Å; Q409-N413 PolarHBondContact O-ND2 3.22Å; A410-N413 CarbonylContact O-C 3.58Å; A410-N413 PolarHBondContact O-N 3.15Å; A411-N413 VanDerWaalsContact C-N 3.27Å; A411-N413 PolarHBondContact O-N 3.26Å; N413-K415 HydrophobicContact CB-CD 4.26Å; N413-K415 HydrophobicContact CB-CG 4.09Å; N413-K415 PolarHBondContact O-N 3.2Å
414	G	93.3	Very high	95.6	Very high	69 Å²	69	49.7 Å²	49.7	71%	0.711	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	18.7	-178.9	0	0	0	0	0	114.8	A410 A411 F412	A410-G414 PolarHBondContact O-N 3.02Å; A411-G414 PolarHBondContact O-N 3.2Å; F412-G414 PolarHBondContact O-N 3.24Å
415	K	93.6	Very high	95.5	Very high	119 Å²	119	53.9 Å²	53.9	52%	0.517	28%	0.283	S	S	.	.			trans	-78.8	154.5	178.9	-61	177.3	-178.7	172.5	0	110.9	A410 N413 L417	A410-K415 HydrophobicContact CB-CB 4.17Å; A410-K415 WeakPolarHBondContact O-CB 3.49Å; A410-K415 PolarHBondContact O-N 2.74Å; N413-K415 HydrophobicContact CB-CD 4.26Å; N413-K415 HydrophobicContact CB-CG 4.09Å; N413-K415 PolarHBondContact O-N 3.2Å; K415-L417 PolarHBondContact O-N 3.43Å
416	D	93.1	Very high	95.5	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	26%	0.258	S	S	.	.			trans	-68.4	124.7	171	177.6	2.4	0	0	0	109.9	R374 G418 A419 H422	R374-D416 IonicContact CZ-OD2 2.68Å; R374-D416 IonicContact NH1-OD1 2.71Å; R374-D416 PolarHBondContact NH1-OD1 2.86Å; R374-D416 VanDerWaalsContact NH1-OD1 3.16Å; R374-D416 IonicContact NH1-OD2 3.67Å; R374-D416 PolarHBondContact NH1-OD2 3.49Å; R374-D416 IonicContact NH2-OD2 3.47Å; R374-D416 PolarHBondContact NH2-OD2 2.86Å; D416-G418 PolarHBondContact O-N 2.94Å; D416-G418 PolarHBondContact OD1-N 3.01Å; D416-A419 HydrophobicContact CB-CB 4.34Å; D416-A419 VanDerWaalsContact O-CB 3.23Å; D416-A419 WeakPolarHBondContact O-CB 3.44Å; D416-A419 PolarHBondContact O-N 2.82Å; D416-H422 PolarHBondContact O-CE1 3.28Å
417	L	94.7	Very high	95.4	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.7	-179.5	-60.1	-176.8	0	0	0	113.5	D50 V51 L73 K76 L407 A410 A411 K415 H422	D50-L417 HydrophobicContact CB-CD1 4.28Å; V51-L417 HydrophobicContact CG2-CD1 3.98Å; L73-L417 HydrophobicContact CD2-CD1 4.17Å; L73-L417 HydrophobicContact CD2-CD2 4.14Å; K76-L417 HydrophobicContact CD-CD1 4.2Å; K76-L417 HydrophobicContact CG-CD1 4.19Å; L407-L417 HydrophobicContact CB-CD2 4.49Å; L407-L417 HydrophobicContact CD2-CB 4.19Å; L407-L417 HydrophobicContact CD2-CD2 4.23Å; A410-L417 HydrophobicContact CB-CD2 4.34Å; A411-L417 HydrophobicContact CB-CD2 4.14Å; K415-L417 PolarHBondContact O-N 3.43Å; L417-H422 PolarHBondContact O-CE1 2.83Å; L417-H422 PolarHBondContact O-NE2 2.83Å
418	G	93.4	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.6	177.4	0	0	0	0	0	114.7	R374 D416	R374-G418 PolarHBondContact N-O 2.89Å; D416-G418 PolarHBondContact O-N 2.94Å; D416-G418 PolarHBondContact OD1-N 3.01Å
419	A	91.9	Very high	95.1	Very high	20 Å²	20	55.2 Å²	55.2	17%	0.165	29%	0.291	C	S	.	.			trans	-66.4	142.9	-178.9	0	0	0	0	0	111.7	D416 Q421 H422 L423	D416-A419 HydrophobicContact CB-CB 4.34Å; D416-A419 VanDerWaalsContact O-CB 3.23Å; D416-A419 WeakPolarHBondContact O-CB 3.44Å; D416-A419 PolarHBondContact O-N 2.82Å; A419-Q421 VanDerWaalsContact C-N 3.29Å; A419-Q421 PolarHBondContact O-N 2.96Å; A419-H422 PolarHBondContact O-CE1 2.78Å; A419-H422 PolarHBondContact O-ND1 2.89Å; A419-H422 PolarHBondContact O-NE2 3.33Å; A419-L423 WeakPolarHBondContact O-CG 3.47Å
420	I	92.4	Very high	94.9	Very high	54 Å²	54	52.3 Å²	52.3	28%	0.277	28%	0.277	S	S	.	.	H	α-helix	trans	-71.9	-24.9	-170.8	-162.3	66.6	0	0	0	112.7	I371 L423 L424	I371-I420 HydrophobicContact CD1-CD1 3.48Å; I371-I420 VanDerWaalsContact CD1-CD1 3.48Å; I371-I420 HydrophobicContact CD1-CG1 4.38Å; I420-L423 PolarHBondContact O-N 3Å; I420-L424 HydrophobicContact CG1-CD1 3.94Å; I420-L424 HydrophobicContact CG1-CG 4.07Å; I420-L424 WeakPolarHBondContact O-CB 3.39Å; I420-L424 WeakPolarHBondContact O-CG 3.36Å; I420-L424 PolarHBondContact O-N 3.39Å
421	Q	93	Very high	94.7	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-61.1	-52	-171.1	-70.2	79.5	2.3	0	0	112.6	A419 E425	A419-Q421 VanDerWaalsContact C-N 3.29Å; A419-Q421 PolarHBondContact O-N 2.96Å; Q421-E425 PolarHBondContact O-N 2.77Å
422	H	94.5	Very high	94.4	Very high	12 Å²	12	61.2 Å²	61.2	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-79.3	-21.9	177.9	58.1	-83.8	0	0	0	112.6	D416 L417 A419 E425 Y426	D416-H422 PolarHBondContact O-CE1 3.28Å; L417-H422 PolarHBondContact O-CE1 2.83Å; L417-H422 PolarHBondContact O-NE2 2.83Å; A419-H422 PolarHBondContact O-CE1 2.78Å; A419-H422 PolarHBondContact O-ND1 2.89Å; A419-H422 PolarHBondContact O-NE2 3.33Å; H422-E425 WeakPolarHBondContact O-CB 3.21Å; H422-E425 PolarHBondContact O-N 3.03Å; H422-Y426 PolarHBondContact O-N 2.92Å
423	L	96.3	Very high	93.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-69.5	-35.6	172	-65.9	-176.9	0	0	0	111.9	L217 I371 A376 L403 A419 I420 E425 Y426 E427	L217-L423 HydrophobicContact CD1-CD1 4.03Å; L217-L423 HydrophobicContact CD1-CD2 4.23Å; I371-L423 HydrophobicContact CB-CB 4.17Å; I371-L423 HydrophobicContact CG1-CB 4.49Å; I371-L423 HydrophobicContact CG2-CB 4.02Å; I371-L423 WeakPolarHBondContact CG2-O 3.5Å; A376-L423 HydrophobicContact CB-CD2 4.28Å; L403-L423 HydrophobicContact CD1-CD2 4.06Å; A419-L423 WeakPolarHBondContact O-CG 3.47Å; I420-L423 PolarHBondContact O-N 3Å; L423-E425 VanDerWaalsContact C-N 3.34Å; L423-Y426 WeakPolarHBondContact O-CB 3.34Å; L423-Y426 PolarHBondContact O-N 3.34Å; L423-E427 PolarHBondContact O-N 2.8Å
424	L	96.6	Very high	93.4	Very high	78 Å²	78	50.9 Å²	50.9	41%	0.408	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-36.7	171.7	-76.9	165.3	0	0	0	112	I371 I420 E427 T428	I371-L424 HydrophobicContact CD1-CD2 3.78Å; I371-L424 HydrophobicContact CD1-CG 4.09Å; I420-L424 HydrophobicContact CG1-CD1 3.94Å; I420-L424 HydrophobicContact CG1-CG 4.07Å; I420-L424 WeakPolarHBondContact O-CB 3.39Å; I420-L424 WeakPolarHBondContact O-CG 3.36Å; I420-L424 PolarHBondContact O-N 3.39Å; L424-E427 PolarHBondContact O-N 3.35Å; L424-T428 WeakPolarHBondContact O-CB 3.48Å; L424-T428 PolarHBondContact O-N 3.33Å; L424-T428 PolarHBondContact O-OG1 2.91Å
425	E	96.6	Very high	93	Very high	98 Å²	98	50.7 Å²	50.7	46%	0.458	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-44.7	172.9	-171.6	172.8	-178.9	0	0	110.9	L406 Q421 H422 L423 T428 E429	L406-E425 HydrophobicContact CD1-CB 4.31Å; L406-E425 HydrophobicContact CD1-CG 4.28Å; L406-E425 HydrophobicContact CD2-CB 4.41Å; L406-E425 VanDerWaalsContact CD2-CD 3.49Å; L406-E425 HydrophobicContact CD2-CG 3.91Å; Q421-E425 PolarHBondContact O-N 2.77Å; H422-E425 WeakPolarHBondContact O-CB 3.21Å; H422-E425 PolarHBondContact O-N 3.03Å; L423-E425 VanDerWaalsContact C-N 3.34Å; E425-T428 PolarHBondContact O-N 2.93Å; E425-E429 WeakPolarHBondContact O-CG 3.38Å; E425-E429 PolarHBondContact O-N 2.77Å
426	Y	97.8	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.9	-52.3	172.6	164.5	-103.8	0	0	0	112.1	Y370 I371 L377 D399 C402 L403 L406 H422 L423 T428 E429 R430	Y370-Y426 HydrophobicContact CD2-CE1 4.39Å; I371-Y426 HydrophobicContact CG2-CD1 3.75Å; I371-Y426 HydrophobicContact CG2-CE1 4.22Å; L377-Y426 PolarHBondContact O-OH 3.39Å; L377-Y426 VanDerWaalsContact O-OH 3.12Å; D399-Y426 HydrophobicContact CB-CE2 4.17Å; D399-Y426 WeakPolarHBondContact CB-OH 3.23Å; C402-Y426 HydrophobicContact CB-CD2 4.35Å; L403-Y426 HydrophobicContact CB-CD2 3.61Å; L403-Y426 HydrophobicContact CB-CE2 3.7Å; L403-Y426 HydrophobicContact CB-CG 4.32Å; L403-Y426 HydrophobicContact CD1-CD1 4.44Å; L403-Y426 HydrophobicContact CD1-CD2 4.13Å; L403-Y426 HydrophobicContact CD1-CG 3.98Å; L403-Y426 HydrophobicContact CD2-CE2 4.42Å; L403-Y426 HydrophobicContact CG-CD2 4.31Å; L406-Y426 VanDerWaalsContact CD1-CA 3.42Å; H422-Y426 PolarHBondContact O-N 2.92Å; L423-Y426 WeakPolarHBondContact O-CB 3.34Å; L423-Y426 PolarHBondContact O-N 3.34Å; Y426-T428 VanDerWaalsContact C-N 3.3Å; Y426-T428 PolarHBondContact O-N 3.41Å; Y426-E429 PolarHBondContact O-N 2.68Å; Y426-R430 HydrophobicContact CD2-CG 3.69Å; Y426-R430 HydrophobicContact CE2-CB 4.34Å; Y426-R430 HydrophobicContact CE2-CG 3.24Å; Y426-R430 WeakPolarHBondContact O-CB 3.5Å; Y426-R430 WeakPolarHBondContact O-CG 2.95Å; Y426-R430 PolarHBondContact O-N 3Å
427	E	96.3	Very high	91.9	Very high	21 Å²	21	46.2 Å²	46.2	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-44.1	178.6	176.5	175.2	-106.9	0	0	111.4	E369 Y370 I371 L423 L424 R430 Q431	E369-E427 WeakPolarHBondContact CA-OE1 3.42Å; E369-E427 WeakPolarHBondContact CB-OE1 3.19Å; Y370-E427 PolarHBondContact N-OE1 3.36Å; I371-E427 HydrophobicContact CG1-CB 3.89Å; I371-E427 HydrophobicContact CG1-CG 4.43Å; I371-E427 HydrophobicContact CG2-CB 4.32Å; L423-E427 PolarHBondContact O-N 2.8Å; L424-E427 PolarHBondContact O-N 3.35Å; E427-R430 PolarHBondContact O-N 3.3Å; E427-Q431 HydrophobicContact CG-CG 4.19Å; E427-Q431 VanDerWaalsContact O-CB 3.24Å; E427-Q431 WeakPolarHBondContact O-CB 3.02Å; E427-Q431 VanDerWaalsContact O-CG 3.28Å; E427-Q431 WeakPolarHBondContact O-CG 3.47Å; E427-Q431 PolarHBondContact O-N 2.93Å
428	T	95.4	Very high	91.1	Very high	54 Å²	54	46.8 Å²	46.8	33%	0.331	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-50.7	-179.9	-60.8	0	0	0	0	111.4	L424 E425 Y426 R432	L424-T428 WeakPolarHBondContact O-CB 3.48Å; L424-T428 PolarHBondContact O-N 3.33Å; L424-T428 PolarHBondContact O-OG1 2.91Å; E425-T428 PolarHBondContact O-N 2.93Å; Y426-T428 VanDerWaalsContact C-N 3.3Å; Y426-T428 PolarHBondContact O-N 3.41Å; T428-R432 WeakPolarHBondContact O-CB 3.13Å; T428-R432 WeakPolarHBondContact O-CG 3.16Å; T428-R432 PolarHBondContact O-N 3Å
429	E	94.6	Very high	90.4	Very high	85 Å²	85	51.1 Å²	51.1	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-41.9	-179	-71.3	-58.1	120.6	0	0	111.7	E425 Y426 R432 H433	E425-E429 WeakPolarHBondContact O-CG 3.38Å; E425-E429 PolarHBondContact O-N 2.77Å; Y426-E429 PolarHBondContact O-N 2.68Å; E429-R432 PolarHBondContact O-N 2.91Å; E429-R432 IonicContact OE1-CZ 2.98Å; E429-R432 IonicContact OE1-NH1 3.48Å; E429-R432 PolarHBondContact OE1-NH1 2.95Å; E429-H433 PolarHBondContact O-N 3.35Å
430	R	93.9	Very high	89.8	Confident	22 Å²	22	52.4 Å²	52.4	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-38	179	-64.4	-45.8	-61.9	165.2	-1.6	113.1	Y370 L395 D399 C402 Y426 E427 H433 N434	Y370-R430 HydrophobicContact CD2-CB 4.11Å; Y370-R430 HydrophobicContact CE2-CB 3.94Å; L395-R430 PolarHBondContact O-NH2 3.21Å; D399-R430 IonicContact OD1-CZ 2.78Å; D399-R430 IonicContact OD1-NE 3.29Å; D399-R430 PolarHBondContact OD1-NE 3.35Å; D399-R430 IonicContact OD1-NH2 2.83Å; D399-R430 PolarHBondContact OD1-NH2 3.46Å; C402-R430 HydrophobicContact CB-CG 4.36Å; Y426-R430 HydrophobicContact CD2-CG 3.69Å; Y426-R430 HydrophobicContact CE2-CB 4.34Å; Y426-R430 HydrophobicContact CE2-CG 3.24Å; Y426-R430 WeakPolarHBondContact O-CB 3.5Å; Y426-R430 WeakPolarHBondContact O-CG 2.95Å; Y426-R430 PolarHBondContact O-N 3Å; E427-R430 PolarHBondContact O-N 3.3Å; R430-H433 PolarHBondContact O-N 3.11Å; R430-N434 PolarHBondContact NH2-OD1 2.93Å; R430-N434 VanDerWaalsContact NH2-OD1 3.16Å; R430-N434 VanDerWaalsContact O-CB 3.23Å; R430-N434 WeakPolarHBondContact O-CB 3.03Å; R430-N434 PolarHBondContact O-N 3.16Å; R430-N434 PolarHBondContact O-ND2 3.17Å
431	Q	91.4	Very high	89	Confident	43 Å²	43	50.3 Å²	50.3	20%	0.201	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-37.5	174.4	-74.3	-172.3	-5	0	0	111.9	S368 Y370 E427 H433 L435	S368-Q431 PolarHBondContact O-NE2 3.37Å; Y370-Q431 HydrophobicContact CD2-CG 4.48Å; Y370-Q431 HydrophobicContact CE1-CG 4.3Å; Y370-Q431 HydrophobicContact CE2-CG 4.15Å; E427-Q431 HydrophobicContact CG-CG 4.19Å; E427-Q431 VanDerWaalsContact O-CB 3.24Å; E427-Q431 WeakPolarHBondContact O-CB 3.02Å; E427-Q431 VanDerWaalsContact O-CG 3.28Å; E427-Q431 WeakPolarHBondContact O-CG 3.47Å; E427-Q431 PolarHBondContact O-N 2.93Å; Q431-H433 PolarHBondContact O-N 2.93Å; Q431-L435 HydrophobicContact CB-CD1 3.94Å; Q431-L435 HydrophobicContact CB-CG 4.32Å; Q431-L435 HydrophobicContact CG-CD1 4.42Å; Q431-L435 WeakPolarHBondContact O-CB 3.31Å; Q431-L435 WeakPolarHBondContact O-CG 3.43Å; Q431-L435 PolarHBondContact O-N 3.47Å
432	R	90.1	Very high	88.1	Confident	162 Å²	162	44.7 Å²	44.7	61%	0.611	23%	0.229	S	C	*	.	H	α-helix	trans	-59.9	-27.7	173.2	-78.3	172.5	-178.1	168.4	-0.4	113.2	T428 E429 P436 Y479	T428-R432 WeakPolarHBondContact O-CB 3.13Å; T428-R432 WeakPolarHBondContact O-CG 3.16Å; T428-R432 PolarHBondContact O-N 3Å; E429-R432 PolarHBondContact O-N 2.91Å; E429-R432 IonicContact OE1-CZ 2.98Å; E429-R432 IonicContact OE1-NH1 3.48Å; E429-R432 PolarHBondContact OE1-NH1 2.95Å; R432-P436 VanDerWaalsContact O-CD 3.29Å; R432-P436 WeakPolarHBondContact O-CD 3.12Å; R432-P436 VanDerWaalsContact O-CG 3.31Å; R432-P436 WeakPolarHBondContact O-CG 3.49Å; R432-Y479 PolarHBondContact O-OH 3.25Å
433	H	86.4	Confident	87.3	Confident	25 Å²	25	49.5 Å²	49.5	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-93.2	-47.1	176.7	-174	78.4	0	0	0	113.1	E429 R430 Q431 Y479	E429-H433 PolarHBondContact O-N 3.35Å; R430-H433 PolarHBondContact O-N 3.11Å; Q431-H433 PolarHBondContact O-N 2.93Å; H433-Y479 WeakPolarHBondContact CA-OH 3.5Å; H433-Y479 AromaticContact CE1-CE2 3.93Å; H433-Y479 AromaticContact ND1-CE2 3.47Å; H433-Y479 WeakPolarHBondContact ND1-CE2 3.46Å; H433-Y479 AromaticContact ND1-CZ 3.66Å; H433-Y479 PolarHBondContact O-OH 3.27Å
434	N	85.9	Confident	86.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-74.7	-41	-172.5	-62.6	-12.9	0	0	0	111.7	H383 D399 R430 M437 M438	H383-N434 PolarHBondContact CD2-ND2 2.91Å; H383-N434 PolarHBondContact NE2-ND2 3.38Å; D399-N434 PolarHBondContact OD1-ND2 2.79Å; R430-N434 PolarHBondContact NH2-OD1 2.93Å; R430-N434 VanDerWaalsContact NH2-OD1 3.16Å; R430-N434 VanDerWaalsContact O-CB 3.23Å; R430-N434 WeakPolarHBondContact O-CB 3.03Å; R430-N434 PolarHBondContact O-N 3.16Å; R430-N434 PolarHBondContact O-ND2 3.17Å; N434-M437 PolarHBondContact O-N 2.89Å; N434-M438 WeakPolarHBondContact O-CB 3.24Å; N434-M438 WeakPolarHBondContact O-CG 3.27Å; N434-M438 PolarHBondContact O-N 2.73Å
435	L	85.4	Confident	85.2	Confident	65 Å²	65	51.2 Å²	51.2	34%	0.34	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-46.4	-176.1	-71.6	173.1	0	0	0	113.2	H366 Q431 M438 T439	H366-L435 VanDerWaalsContact CE1-CD2 3.42Å; H366-L435 WeakPolarHBondContact CE1-CD2 3.3Å; H366-L435 WeakPolarHBondContact NE2-CD2 3.46Å; Q431-L435 HydrophobicContact CB-CD1 3.94Å; Q431-L435 HydrophobicContact CB-CG 4.32Å; Q431-L435 HydrophobicContact CG-CD1 4.42Å; Q431-L435 WeakPolarHBondContact O-CB 3.31Å; Q431-L435 WeakPolarHBondContact O-CG 3.43Å; Q431-L435 PolarHBondContact O-N 3.47Å; L435-M438 PolarHBondContact O-N 2.75Å; L435-T439 WeakPolarHBondContact O-CB 3.43Å; L435-T439 PolarHBondContact O-N 3.15Å; L435-T439 PolarHBondContact O-OG1 3.1Å
436	P	84.3	Confident	84.3	Confident	62 Å²	62	53.2 Å²	53.2	40%	0.403	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.9	-23.8	35.7	0	0	0	112.3	R432 M438 T439 A440	R432-P436 VanDerWaalsContact O-CD 3.29Å; R432-P436 WeakPolarHBondContact O-CD 3.12Å; R432-P436 VanDerWaalsContact O-CG 3.31Å; R432-P436 WeakPolarHBondContact O-CG 3.49Å; P436-M438 PolarHBondContact O-N 3.06Å; P436-T439 PolarHBondContact O-N 3.24Å; P436-A440 VanDerWaalsContact O-CB 3.31Å; P436-A440 WeakPolarHBondContact O-CB 3.48Å; P436-A440 PolarHBondContact O-N 3.26Å
437	M	78.8	Confident	83.2	Confident	28 Å²	28	55.1 Å²	55.1	14%	0.138	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-50	175.3	-78.6	-56.3	-78.2	0	0	111.9	L395 N434 T439 A440 I441 Y479	L395-M437 HydrophobicContact CD2-CG 4.48Å; N434-M437 PolarHBondContact O-N 2.89Å; M437-T439 VanDerWaalsContact C-N 3.32Å; M437-T439 PolarHBondContact O-N 2.79Å; M437-A440 PolarHBondContact O-N 3.3Å; M437-I441 WeakPolarHBondContact O-CB 3.26Å; M437-I441 VanDerWaalsContact O-CG1 3.24Å; M437-I441 WeakPolarHBondContact O-CG1 3.36Å; M437-I441 PolarHBondContact O-N 2.9Å; M437-Y479 HydrophobicContact CG-CD1 3.95Å; M437-Y479 HydrophobicContact CG-CE1 3.35Å; M437-Y479 HydrophobicContact SD-CD1 3.31Å; M437-Y479 WeakPolarHBondContact SD-CD1 3.14Å; M437-Y479 HydrophobicContact SD-CE1 3.3Å; M437-Y479 WeakPolarHBondContact SD-CE1 3.5Å
438	M	77.4	Confident	82.1	Confident	18 Å²	18	54.6 Å²	54.6	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-42.3	-179.9	-71.7	-179.8	72.6	0	0	111.9	V364 H366 H383 V385 N434 L435 P436 I441 D442	V364-M438 HydrophobicContact CG1-CE 3.9Å; H366-M438 HydrophobicContact CB-CE 3.75Å; H366-M438 VanDerWaalsContact CD2-SD 3.57Å; H383-M438 HydrophobicContact CB-CE 4.32Å; H383-M438 HydrophobicContact CB-SD 3.78Å; V385-M438 HydrophobicContact CG1-CE 4.14Å; V385-M438 HydrophobicContact CG1-CG 3.53Å; V385-M438 HydrophobicContact CG1-SD 4.06Å; N434-M438 WeakPolarHBondContact O-CB 3.24Å; N434-M438 WeakPolarHBondContact O-CG 3.27Å; N434-M438 PolarHBondContact O-N 2.73Å; L435-M438 PolarHBondContact O-N 2.75Å; P436-M438 PolarHBondContact O-N 3.06Å; M438-I441 PolarHBondContact O-N 2.69Å; M438-D442 WeakPolarHBondContact O-CB 3.5Å; M438-D442 PolarHBondContact O-N 2.92Å
439	T	79.7	Confident	81	Confident	91 Å²	91	54.2 Å²	54.2	56%	0.558	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-41.9	178.5	-54.3	0	0	0	0	111	L435 P436 M437 D442 L443	L435-T439 WeakPolarHBondContact O-CB 3.43Å; L435-T439 PolarHBondContact O-N 3.15Å; L435-T439 PolarHBondContact O-OG1 3.1Å; P436-T439 PolarHBondContact O-N 3.24Å; M437-T439 VanDerWaalsContact C-N 3.32Å; M437-T439 PolarHBondContact O-N 2.79Å; T439-D442 PolarHBondContact O-N 2.85Å; T439-L443 WeakPolarHBondContact O-CB 3.36Å; T439-L443 PolarHBondContact O-N 2.98Å
440	A	78.9	Confident	80.1	Confident	46 Å²	46	53 Å²	53	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-45.2	176.1	0	0	0	0	0	111.5	P436 M437 L443 M444	P436-A440 VanDerWaalsContact O-CB 3.31Å; P436-A440 WeakPolarHBondContact O-CB 3.48Å; P436-A440 PolarHBondContact O-N 3.26Å; M437-A440 PolarHBondContact O-N 3.3Å; A440-L443 PolarHBondContact O-N 2.9Å; A440-M444 WeakPolarHBondContact O-CB 3.46Å; A440-M444 VanDerWaalsContact O-CG 3.31Å; A440-M444 WeakPolarHBondContact O-CG 3.2Å; A440-M444 PolarHBondContact O-N 3.03Å
441	I	75	Confident	79	Confident	11 Å²	11	56.5 Å²	56.5	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-46.3	176.6	-70.5	170.3	0	0	0	110.9	H386 L388 M437 M438 K445	H386-I441 HydrophobicContact CB-CG2 3.9Å; L388-I441 HydrophobicContact CB-CG2 4.34Å; L388-I441 HydrophobicContact CD1-CG2 3.61Å; M437-I441 WeakPolarHBondContact O-CB 3.26Å; M437-I441 VanDerWaalsContact O-CG1 3.24Å; M437-I441 WeakPolarHBondContact O-CG1 3.36Å; M437-I441 PolarHBondContact O-N 2.9Å; M438-I441 PolarHBondContact O-N 2.69Å; I441-K445 WeakPolarHBondContact O-CB 3.46Å; I441-K445 PolarHBondContact O-N 3.25Å
442	D	75.9	Confident	78.3	Confident	17 Å²	17	57 Å²	57	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-66.3	-42.7	179.2	-167.3	64.8	0	0	0	112	W239 Y241 M438 T439 K445 R446	W239-D442 PolarHBondContact NE1-OD1 2.89Å; W239-D442 VanDerWaalsContact NE1-OD1 3.1Å; Y241-D442 VanDerWaalsContact CE1-OD1 3.26Å; Y241-D442 WeakPolarHBondContact CE1-OD1 3.22Å; Y241-D442 PolarHBondContact OH-OD1 2.76Å; M438-D442 WeakPolarHBondContact O-CB 3.5Å; M438-D442 PolarHBondContact O-N 2.92Å; T439-D442 PolarHBondContact O-N 2.85Å; D442-K445 PolarHBondContact O-N 3.06Å; D442-R446 WeakPolarHBondContact O-CG 3.25Å; D442-R446 PolarHBondContact O-N 3.09Å; D442-R446 IonicContact OD1-NE 2.63Å; D442-R446 IonicContact OD2-CZ 3.25Å; D442-R446 IonicContact OD2-NE 2.64Å; D442-R446 PolarHBondContact OD2-NE 3.15Å; D442-R446 IonicContact OD2-NH2 2.55Å; D442-R446 PolarHBondContact OD2-NH2 3.23Å
443	L	77.1	Confident	77.5	Confident	113 Å²	113	51.6 Å²	51.6	59%	0.592	29%	0.291	S	S	*	.	H	α-helix	trans	-62.4	-48.1	177.2	179	62.2	0	0	0	111.1	T439 A440 K445 R446 L447	T439-L443 WeakPolarHBondContact O-CB 3.36Å; T439-L443 PolarHBondContact O-N 2.98Å; A440-L443 PolarHBondContact O-N 2.9Å; L443-K445 VanDerWaalsContact C-N 3.35Å; L443-K445 PolarHBondContact O-N 2.81Å; L443-R446 PolarHBondContact O-N 2.84Å; L443-L447 VanDerWaalsContact O-CB 3.24Å; L443-L447 WeakPolarHBondContact O-CB 3.24Å; L443-L447 PolarHBondContact O-N 2.64Å
444	M	73.8	Confident	77.1	Confident	82 Å²	82	55.1 Å²	55.1	40%	0.404	32%	0.317	S	S	.	.	H	α-helix	trans	-57.1	-50.5	174.8	-76.1	-165.6	-61.8	0	0	110.2	A440 R446 L447 Y448	A440-M444 WeakPolarHBondContact O-CB 3.46Å; A440-M444 VanDerWaalsContact O-CG 3.31Å; A440-M444 WeakPolarHBondContact O-CG 3.2Å; A440-M444 PolarHBondContact O-N 3.03Å; M444-R446 VanDerWaalsContact C-N 3.34Å; M444-R446 PolarHBondContact O-N 3.31Å; M444-L447 PolarHBondContact O-N 3.31Å; M444-Y448 HydrophobicContact CB-CD2 4.33Å; M444-Y448 HydrophobicContact CB-CE2 4.42Å; M444-Y448 WeakPolarHBondContact O-CD2 3.18Å; M444-Y448 PolarHBondContact O-N 3.05Å
445	K	74.7	Confident	76.6	Confident	33 Å²	33	56.1 Å²	56.1	14%	0.143	33%	0.325	C	S	.	.	H	α-helix	trans	-52.8	-51.3	178.1	-175.9	-84.1	-174.9	-173	0	111.5	Y241 L388 I441 D442 L443 L447 Y448 S449	Y241-K445 HydrophobicContact CD1-CD 3.83Å; Y241-K445 HydrophobicContact CE1-CD 3.77Å; Y241-K445 HydrophobicContact CE1-CG 4.28Å; L388-K445 HydrophobicContact CD1-CB 4.31Å; I441-K445 WeakPolarHBondContact O-CB 3.46Å; I441-K445 PolarHBondContact O-N 3.25Å; D442-K445 PolarHBondContact O-N 3.06Å; L443-K445 VanDerWaalsContact C-N 3.35Å; L443-K445 PolarHBondContact O-N 2.81Å; K445-L447 PolarHBondContact O-N 2.73Å; K445-Y448 PolarHBondContact O-N 2.8Å; K445-S449 WeakPolarHBondContact O-CB 3.31Å; K445-S449 PolarHBondContact O-N 3.05Å; K445-S449 PolarHBondContact O-OG 3.06Å
446	R	76.8	Confident	76	Confident	139 Å²	139	53.1 Å²	53.1	53%	0.525	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-44.2	-179.1	-71.2	-177.4	-164.8	-151.6	3.5	112.1	D442 L443 M444 S449 T450	D442-R446 WeakPolarHBondContact O-CG 3.25Å; D442-R446 PolarHBondContact O-N 3.09Å; D442-R446 IonicContact OD1-NE 2.63Å; D442-R446 IonicContact OD2-CZ 3.25Å; D442-R446 IonicContact OD2-NE 2.64Å; D442-R446 PolarHBondContact OD2-NE 3.15Å; D442-R446 IonicContact OD2-NH2 2.55Å; D442-R446 PolarHBondContact OD2-NH2 3.23Å; L443-R446 PolarHBondContact O-N 2.84Å; M444-R446 VanDerWaalsContact C-N 3.34Å; M444-R446 PolarHBondContact O-N 3.31Å; R446-S449 WeakPolarHBondContact CA-OG 3.33Å; R446-S449 PolarHBondContact O-N 2.88Å; R446-S449 PolarHBondContact O-OG 3.11Å; R446-T450 PolarHBondContact O-N 3.5Å; R446-T450 PolarHBondContact O-OG1 3.4Å
447	L	75.9	Confident	75.4	Confident	40 Å²	40	52.2 Å²	52.2	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-44.2	179.2	-177.9	63.3	0	0	0	111.7	L443 M444 K445 L458 R459	L443-L447 VanDerWaalsContact O-CB 3.24Å; L443-L447 WeakPolarHBondContact O-CB 3.24Å; L443-L447 PolarHBondContact O-N 2.64Å; M444-L447 PolarHBondContact O-N 3.31Å; K445-L447 PolarHBondContact O-N 2.73Å; L447-L458 HydrophobicContact CD1-CD2 3.67Å; L447-L458 HydrophobicContact CD2-CD2 4.14Å; L447-R459 HydrophobicContact CD1-CB 3.98Å; L447-R459 HydrophobicContact CD2-CB 3.59Å; L447-R459 HydrophobicContact CG-CB 3.59Å; L447-R459 PolarHBondContact O-NH1 2.88Å
448	Y	72.6	Confident	75.2	Confident	11 Å²	11	56 Å²	56	4%	0.043	32%	0.321	C	S	.	.	H	α-helix	trans	-77.6	-25.5	178.8	-74.4	-73.8	0	0	0	114	D135 F265 M444 K445 T450 R459 L463	D135-Y448 HydrophobicContact CB-CE1 4.34Å; F265-Y448 HydrophobicContact CB-CD1 3.46Å; F265-Y448 VanDerWaalsContact CB-CD1 3.46Å; F265-Y448 HydrophobicContact CB-CE1 4.26Å; F265-Y448 HydrophobicContact CB-CG 3.79Å; F265-Y448 HydrophobicContact CD1-CD1 4.07Å; F265-Y448 AromaticContact CD1-CD2 3.86Å; F265-Y448 HydrophobicContact CD1-CD2 3.86Å; F265-Y448 AromaticContact CD1-CG 3.49Å; F265-Y448 HydrophobicContact CD1-CG 3.49Å; F265-Y448 VanDerWaalsContact CD1-CG 3.49Å; F265-Y448 AromaticContact CD2-CD1 3.74Å; F265-Y448 HydrophobicContact CD2-CD1 3.74Å; F265-Y448 AromaticContact CD2-CD2 3.94Å; F265-Y448 HydrophobicContact CD2-CD2 3.94Å; F265-Y448 AromaticContact CD2-CE1 3.93Å; F265-Y448 HydrophobicContact CD2-CE1 3.93Å; F265-Y448 HydrophobicContact CD2-CE2 4.16Å; F265-Y448 AromaticContact CD2-CG 3.8Å; F265-Y448 HydrophobicContact CD2-CG 3.8Å; F265-Y448 AromaticContact CE1-CD2 3.79Å; F265-Y448 HydrophobicContact CE1-CD2 3.79Å; F265-Y448 AromaticContact CE1-CG 3.92Å; F265-Y448 HydrophobicContact CE1-CG 3.92Å; F265-Y448 HydrophobicContact CE2-CD1 4.46Å; F265-Y448 AromaticContact CE2-CD2 3.86Å; F265-Y448 HydrophobicContact CE2-CD2 3.86Å; F265-Y448 AromaticContact CE2-CE2 3.96Å; F265-Y448 HydrophobicContact CE2-CE2 3.96Å; F265-Y448 HydrophobicContact CE2-CG 4.19Å; F265-Y448 AromaticContact CG-CD1 3.49Å; F265-Y448 HydrophobicContact CG-CD1 3.49Å; F265-Y448 VanDerWaalsContact CG-CD1 3.49Å; F265-Y448 AromaticContact CG-CD2 3.93Å; F265-Y448 HydrophobicContact CG-CD2 3.93Å; F265-Y448 HydrophobicContact CG-CE1 4.17Å; F265-Y448 AromaticContact CG-CG 3.41Å; F265-Y448 HydrophobicContact CG-CG 3.41Å; F265-Y448 VanDerWaalsContact CG-CG 3.41Å; F265-Y448 AromaticContact CZ-CD2 3.78Å; F265-Y448 HydrophobicContact CZ-CD2 3.78Å; F265-Y448 HydrophobicContact CZ-CE2 4.21Å; F265-Y448 HydrophobicContact CZ-CG 4.25Å; M444-Y448 HydrophobicContact CB-CD2 4.33Å; M444-Y448 HydrophobicContact CB-CE2 4.42Å; M444-Y448 WeakPolarHBondContact O-CD2 3.18Å; M444-Y448 PolarHBondContact O-N 3.05Å; K445-Y448 PolarHBondContact O-N 2.8Å; Y448-T450 PolarHBondContact O-N 2.87Å; Y448-R459 HydrophobicContact CD1-CG 4.41Å; Y448-R459 HydrophobicContact CE1-CB 4.17Å; Y448-R459 HydrophobicContact CE1-CG 3.91Å; Y448-R459 PolarHBondContact O-NH1 2.89Å; Y448-L463 HydrophobicContact CE1-CD1 4.02Å; Y448-L463 WeakPolarHBondContact OH-CD1 3.48Å; Y448-L463 WeakPolarHBondContact OH-CD2 3.25Å; Y448-L463 WeakPolarHBondContact OH-CG 3.06Å
449	S	72.4	Confident	75.1	Confident	45 Å²	45	55.2 Å²	55.2	32%	0.315	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.9	174.6	62.3	0	0	0	0	114.3	K445 R446	K445-S449 WeakPolarHBondContact O-CB 3.31Å; K445-S449 PolarHBondContact O-N 3.05Å; K445-S449 PolarHBondContact O-OG 3.06Å; R446-S449 WeakPolarHBondContact CA-OG 3.33Å; R446-S449 PolarHBondContact O-N 2.88Å; R446-S449 PolarHBondContact O-OG 3.11Å
450	T	76.3	Confident	74.7	Confident	59 Å²	59	51.1 Å²	51.1	36%	0.362	29%	0.292	S	S	.	.			trans	-98.9	123.2	-177.9	-55.4	0	0	0	0	110.7	R446 Y448 A452 A455 R459	R446-T450 PolarHBondContact O-N 3.5Å; R446-T450 PolarHBondContact O-OG1 3.4Å; Y448-T450 PolarHBondContact O-N 2.87Å; T450-A452 HydrophobicContact CG2-CB 4.02Å; T450-A455 HydrophobicContact CG2-CB 3.75Å; T450-R459 PolarHBondContact O-NH1 2.85Å
451	N	70.3	Confident	74.3	Confident	96 Å²	96	52.5 Å²	52.5	51%	0.513	29%	0.289	S	S	.	.			trans	-95.7	2.2	-178	-59.1	-27.4	0	0	0	113.9	P267 A453	P267-N451 WeakPolarHBondContact CB-OD1 3.47Å; N451-A453 PolarHBondContact O-N 3.12Å
452	A	76.1	Confident	74.1	Confident	54 Å²	54	53.6 Å²	53.6	45%	0.446	30%	0.303	S	S	.	.	S	Bend	trans	-67.2	131.8	177.8	0	0	0	0	0	110.5	T450 P454 A455 V456	T450-A452 HydrophobicContact CG2-CB 4.02Å; A452-P454 VanDerWaalsContact C-CD 3.43Å; A452-P454 VanDerWaalsContact C-N 3.34Å; A452-P454 VanDerWaalsContact O-N 3.14Å; A452-A455 WeakPolarHBondContact O-CB 3.47Å; A452-A455 PolarHBondContact O-N 3.27Å; A452-V456 PolarHBondContact O-N 3.37Å; A452-V456 VanDerWaalsContact O-N 3.11Å
453	A	73.1	Confident	73.8	Confident	48 Å²	48	53.3 Å²	53.3	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-49.6	-41.5	-174.6	0	0	0	0	0	114.9	N451 A455 V456 L457	N451-A453 PolarHBondContact O-N 3.12Å; A453-A455 VanDerWaalsContact C-N 3.33Å; A453-A455 PolarHBondContact O-N 2.78Å; A453-V456 PolarHBondContact O-N 3.25Å; A453-L457 WeakPolarHBondContact O-CG 3.5Å; A453-L457 PolarHBondContact O-N 3.21Å
454	P	78.4	Confident	73.3	Confident	100 Å²	100	49 Å²	49	65%	0.649	28%	0.279	S	S	*	.	H	α-helix	trans	-62.3	-36.1	176.1	-23.7	34.9	0	0	0	113.9	A452 L458	A452-P454 VanDerWaalsContact C-CD 3.43Å; A452-P454 VanDerWaalsContact C-N 3.34Å; A452-P454 VanDerWaalsContact O-N 3.14Å; P454-L458 WeakPolarHBondContact O-CB 3.34Å; P454-L458 PolarHBondContact O-N 3.01Å
455	A	75.4	Confident	72.9	Confident	21 Å²	21	47.2 Å²	47.2	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-39	177.8	0	0	0	0	0	111.4	T450 A452 A453 L458 R459	T450-A455 HydrophobicContact CG2-CB 3.75Å; A452-A455 WeakPolarHBondContact O-CB 3.47Å; A452-A455 PolarHBondContact O-N 3.27Å; A453-A455 VanDerWaalsContact C-N 3.33Å; A453-A455 PolarHBondContact O-N 2.78Å; A455-L458 PolarHBondContact O-N 3.26Å; A455-R459 PolarHBondContact O-N 3.08Å
456	V	73.1	Confident	72.6	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-38.1	175.5	-174.7	0	0	0	0	111.3	C137 I321 A452 A453 R459 T460	C137-V456 HydrophobicContact CB-CG1 3.86Å; I321-V456 HydrophobicContact CD1-CB 4.02Å; I321-V456 HydrophobicContact CD1-CG1 3.64Å; I321-V456 HydrophobicContact CG2-CG1 4.2Å; A452-V456 PolarHBondContact O-N 3.37Å; A452-V456 VanDerWaalsContact O-N 3.11Å; A453-V456 PolarHBondContact O-N 3.25Å; V456-R459 WeakPolarHBondContact O-CG 3.5Å; V456-T460 VanDerWaalsContact O-CB 3.26Å; V456-T460 WeakPolarHBondContact O-CB 3.47Å; V456-T460 PolarHBondContact O-N 3.41Å; V456-T460 PolarHBondContact O-OG1 2.8Å
457	L	72.4	Confident	71.9	Confident	42 Å²	42	42.6 Å²	42.6	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-49.3	172.4	-73.1	173.1	0	0	0	111	A324 A453 R459 T460 F461	A324-L457 HydrophobicContact CB-CD2 3.91Å; A453-L457 WeakPolarHBondContact O-CG 3.5Å; A453-L457 PolarHBondContact O-N 3.21Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-R459 PolarHBondContact O-N 2.98Å; L457-T460 WeakPolarHBondContact O-CB 3.42Å; L457-T460 PolarHBondContact O-N 3.19Å; L457-T460 VanDerWaalsContact O-N 3.16Å; L457-F461 HydrophobicContact CB-CD2 4.31Å; L457-F461 HydrophobicContact CB-CE2 3.95Å; L457-F461 HydrophobicContact CD2-CE2 4.4Å; L457-F461 WeakPolarHBondContact O-CD2 3.32Å; L457-F461 WeakPolarHBondContact O-CG 3.43Å; L457-F461 PolarHBondContact O-N 2.88Å
458	L	74.4	Confident	71.2	Confident	109 Å²	109	42.2 Å²	42.2	57%	0.571	26%	0.263	S	S	*	.	H	α-helix	trans	-58.8	-42.3	179.7	-174.8	138.4	0	0	0	112.6	L447 P454 A455 G462	L447-L458 HydrophobicContact CD1-CD2 3.67Å; L447-L458 HydrophobicContact CD2-CD2 4.14Å; P454-L458 WeakPolarHBondContact O-CB 3.34Å; P454-L458 PolarHBondContact O-N 3.01Å; A455-L458 PolarHBondContact O-N 3.26Å; L458-G462 PolarHBondContact O-N 3.4Å
459	R	75.4	Confident	71	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-36.7	177	83.6	-165.2	-177.6	-173.1	4.1	112.4	D135 C137 L447 Y448 T450 A455 V456 L457 G462 L463	D135-R459 IonicContact OD1-CZ 3.31Å; D135-R459 VanDerWaalsContact OD1-CZ 3.31Å; D135-R459 IonicContact OD1-NE 3.9Å; D135-R459 IonicContact OD1-NH2 3.51Å; D135-R459 PolarHBondContact OD1-NH2 2.95Å; D135-R459 IonicContact OD2-CZ 3.82Å; D135-R459 IonicContact OD2-NE 3.74Å; D135-R459 PolarHBondContact OD2-NE 3.18Å; D135-R459 IonicContact OD2-NH2 2.74Å; D135-R459 PolarHBondContact OD2-NH2 3.45Å; C137-R459 VanDerWaalsContact CB-NH2 3.33Å; C137-R459 PolarHBondContact SG-NH2 3.45Å; C137-R459 VanDerWaalsContact SG-NH2 3.39Å; L447-R459 HydrophobicContact CD1-CB 3.98Å; L447-R459 HydrophobicContact CD2-CB 3.59Å; L447-R459 HydrophobicContact CG-CB 3.59Å; L447-R459 PolarHBondContact O-NH1 2.88Å; Y448-R459 HydrophobicContact CD1-CG 4.41Å; Y448-R459 HydrophobicContact CE1-CB 4.17Å; Y448-R459 HydrophobicContact CE1-CG 3.91Å; Y448-R459 PolarHBondContact O-NH1 2.89Å; T450-R459 PolarHBondContact O-NH1 2.85Å; A455-R459 PolarHBondContact O-N 3.08Å; V456-R459 WeakPolarHBondContact O-CG 3.5Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-R459 PolarHBondContact O-N 2.98Å; R459-G462 PolarHBondContact O-N 3.01Å; R459-L463 WeakPolarHBondContact O-CB 3.43Å; R459-L463 WeakPolarHBondContact O-CG 3.23Å; R459-L463 PolarHBondContact O-N 3.08Å
460	T	70.3	Confident	70.8	Confident	4 Å²	4	47 Å²	47	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-48.2	175	-60.8	0	0	0	0	110.8	S138 A140 V456 L457 L463 Q464	S138-T460 WeakPolarHBondContact CB-OG1 3.31Å; S138-T460 PolarHBondContact OG-OG1 3.02Å; A140-T460 HydrophobicContact CB-CG2 4.19Å; V456-T460 VanDerWaalsContact O-CB 3.26Å; V456-T460 WeakPolarHBondContact O-CB 3.47Å; V456-T460 PolarHBondContact O-N 3.41Å; V456-T460 PolarHBondContact O-OG1 2.8Å; L457-T460 WeakPolarHBondContact O-CB 3.42Å; L457-T460 PolarHBondContact O-N 3.19Å; L457-T460 VanDerWaalsContact O-N 3.16Å; T460-L463 PolarHBondContact O-N 2.74Å; T460-Q464 WeakPolarHBondContact O-CB 3.4Å; T460-Q464 WeakPolarHBondContact O-CG 2.97Å; T460-Q464 PolarHBondContact O-N 3.15Å; T460-Q464 VanDerWaalsContact O-N 3.11Å
461	F	70.2	Confident	70.6	Confident	75 Å²	75	48.4 Å²	48.4	33%	0.329	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.9	-68.1	-56.5	0	0	0	112.2	F328 L457 Q464 A465	F328-F461 HydrophobicContact CB-CE1 3.8Å; F328-F461 AromaticContact CD1-CD1 3.81Å; F328-F461 HydrophobicContact CD1-CD1 3.81Å; F328-F461 AromaticContact CD1-CE1 3.94Å; F328-F461 HydrophobicContact CD1-CE1 3.94Å; F328-F461 AromaticContact CD2-CD1 3.88Å; F328-F461 HydrophobicContact CD2-CD1 3.88Å; F328-F461 AromaticContact CD2-CE1 3.54Å; F328-F461 HydrophobicContact CD2-CE1 3.54Å; F328-F461 AromaticContact CE1-CD1 3.82Å; F328-F461 HydrophobicContact CE1-CD1 3.82Å; F328-F461 HydrophobicContact CE1-CE1 4.35Å; F328-F461 AromaticContact CE2-CD1 3.92Å; F328-F461 HydrophobicContact CE2-CD1 3.92Å; F328-F461 HydrophobicContact CE2-CE1 4.02Å; F328-F461 AromaticContact CG-CD1 3.82Å; F328-F461 HydrophobicContact CG-CD1 3.82Å; F328-F461 AromaticContact CG-CE1 3.48Å; F328-F461 HydrophobicContact CG-CE1 3.48Å; F328-F461 VanDerWaalsContact CG-CE1 3.48Å; F328-F461 AromaticContact CZ-CD1 3.88Å; F328-F461 HydrophobicContact CZ-CD1 3.88Å; F328-F461 HydrophobicContact CZ-CE1 4.4Å; L457-F461 HydrophobicContact CB-CD2 4.31Å; L457-F461 HydrophobicContact CB-CE2 3.95Å; L457-F461 HydrophobicContact CD2-CE2 4.4Å; L457-F461 WeakPolarHBondContact O-CD2 3.32Å; L457-F461 WeakPolarHBondContact O-CG 3.43Å; L457-F461 PolarHBondContact O-N 2.88Å; F461-Q464 PolarHBondContact O-N 2.75Å; F461-A465 VanDerWaalsContact O-CB 3.32Å; F461-A465 WeakPolarHBondContact O-CB 3.47Å; F461-A465 PolarHBondContact O-N 2.82Å
462	G	71.8	Confident	70.5	Confident	34 Å²	34	46.7 Å²	46.7	35%	0.351	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-43.3	179.2	0	0	0	0	0	113.4	L458 R459 T466	L458-G462 PolarHBondContact O-N 3.4Å; R459-G462 PolarHBondContact O-N 3.01Å; G462-T466 PolarHBondContact O-N 3.38Å; G462-T466 VanDerWaalsContact O-N 3.08Å; G462-T466 PolarHBondContact O-OG1 3.28Å
463	L	69.2	Low	70.2	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-45.9	176.5	-74.3	175.7	0	0	0	111.6	D135 A140 I142 Y448 R459 T460 T466 N467	D135-L463 HydrophobicContact CB-CD1 4.47Å; A140-L463 HydrophobicContact CB-CB 3.86Å; A140-L463 HydrophobicContact CB-CD1 3.33Å; A140-L463 HydrophobicContact CB-CG 4.21Å; I142-L463 HydrophobicContact CB-CD2 4.38Å; I142-L463 HydrophobicContact CD1-CB 4.27Å; I142-L463 HydrophobicContact CD1-CD2 3.15Å; I142-L463 HydrophobicContact CD1-CG 4.27Å; I142-L463 HydrophobicContact CG1-CB 4.12Å; I142-L463 HydrophobicContact CG1-CD2 3.53Å; I142-L463 HydrophobicContact CG1-CG 4.4Å; Y448-L463 HydrophobicContact CE1-CD1 4.02Å; Y448-L463 WeakPolarHBondContact OH-CD1 3.48Å; Y448-L463 WeakPolarHBondContact OH-CD2 3.25Å; Y448-L463 WeakPolarHBondContact OH-CG 3.06Å; R459-L463 WeakPolarHBondContact O-CB 3.43Å; R459-L463 WeakPolarHBondContact O-CG 3.23Å; R459-L463 PolarHBondContact O-N 3.08Å; T460-L463 PolarHBondContact O-N 2.74Å; L463-T466 PolarHBondContact O-N 2.81Å; L463-N467 PolarHBondContact O-N 2.67Å; L463-N467 VanDerWaalsContact O-N 3.12Å
464	Q	66.6	Low	70.2	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-42.4	179.4	-72.7	175.5	-20.3	0	0	111.9	F328 T460 F461 T466 N467 M468	F328-Q464 HydrophobicContact CE1-CB 4.29Å; T460-Q464 WeakPolarHBondContact O-CB 3.4Å; T460-Q464 WeakPolarHBondContact O-CG 2.97Å; T460-Q464 PolarHBondContact O-N 3.15Å; T460-Q464 VanDerWaalsContact O-N 3.11Å; F461-Q464 PolarHBondContact O-N 2.75Å; Q464-T466 VanDerWaalsContact C-N 3.31Å; Q464-T466 PolarHBondContact O-N 3.36Å; Q464-N467 PolarHBondContact O-N 2.99Å; Q464-M468 WeakPolarHBondContact O-CG 3.03Å; Q464-M468 PolarHBondContact O-N 3.31Å
465	A	66.3	Low	70	Confident	45 Å²	45	49.8 Å²	49.8	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-39	175.1	0	0	0	0	0	112.3	F461 M468 L469	F461-A465 VanDerWaalsContact O-CB 3.32Å; F461-A465 WeakPolarHBondContact O-CB 3.47Å; F461-A465 PolarHBondContact O-N 2.82Å; A465-M468 PolarHBondContact O-N 3.36Å; A465-L469 WeakPolarHBondContact O-CG 3.09Å; A465-L469 PolarHBondContact O-N 3.35Å
466	T	66.7	Low	69.8	Low	24 Å²	24	52.1 Å²	52.1	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-39.9	179.3	-53.8	0	0	0	0	111.9	I142 G462 L463 Q464 M468 L469 L472 I476	I142-T466 HydrophobicContact CD1-CG2 3.93Å; G462-T466 PolarHBondContact O-N 3.38Å; G462-T466 VanDerWaalsContact O-N 3.08Å; G462-T466 PolarHBondContact O-OG1 3.28Å; L463-T466 PolarHBondContact O-N 2.81Å; Q464-T466 VanDerWaalsContact C-N 3.31Å; Q464-T466 PolarHBondContact O-N 3.36Å; T466-M468 PolarHBondContact O-N 3.45Å; T466-L469 PolarHBondContact O-N 2.93Å; T466-L472 HydrophobicContact CG2-CD2 4.33Å; T466-I476 HydrophobicContact CG2-CD1 3.84Å
467	N	63.3	Low	69.8	Low	50 Å²	50	53.6 Å²	53.6	27%	0.267	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-25.9	175.2	-99.4	3.2	0	0	0	113.8	L141 I142 L463 Q464	L141-N467 PolarHBondContact O-ND2 2.83Å; I142-N467 VanDerWaalsContact CA-OD1 3.31Å; I142-N467 WeakPolarHBondContact CA-OD1 3.37Å; L463-N467 PolarHBondContact O-N 2.67Å; L463-N467 VanDerWaalsContact O-N 3.12Å; Q464-N467 PolarHBondContact O-N 2.99Å
468	M	60.6	Low	69.9	Low	33 Å²	33	53.8 Å²	53.8	16%	0.163	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.2	-174.4	-68.1	-166.2	60.8	0	0	114.1	L332 M336 A339 Q464 A465 T466 P470	L332-M468 HydrophobicContact CD1-SD 4.49Å; L332-M468 HydrophobicContact CD2-CE 3.93Å; L332-M468 HydrophobicContact CD2-SD 3.05Å; L332-M468 WeakPolarHBondContact CD2-SD 3.37Å; L332-M468 HydrophobicContact CG-CE 3.72Å; L332-M468 HydrophobicContact CG-SD 3.58Å; L332-M468 VanDerWaalsContact CG-SD 3.58Å; M336-M468 HydrophobicContact CB-CE 3.58Å; M336-M468 HydrophobicContact CG-CE 4.31Å; M336-M468 HydrophobicContact SD-CE 4.04Å; A339-M468 HydrophobicContact CB-CE 3.73Å; A339-M468 HydrophobicContact CB-CG 3.54Å; A339-M468 HydrophobicContact CB-SD 3.82Å; Q464-M468 WeakPolarHBondContact O-CG 3.03Å; Q464-M468 PolarHBondContact O-N 3.31Å; A465-M468 PolarHBondContact O-N 3.36Å; T466-M468 PolarHBondContact O-N 3.45Å; M468-P470 VanDerWaalsContact O-CD 3.26Å; M468-P470 WeakPolarHBondContact O-CD 3.39Å
469	L	68.2	Low	69.8	Low	85 Å²	85	52 Å²	52	45%	0.445	29%	0.286	S	S	.	.			trans	-113.7	85.5	175	-65.4	173.3	0	0	0	108.6	A465 T466 T471 L472 K473	A465-L469 WeakPolarHBondContact O-CG 3.09Å; A465-L469 PolarHBondContact O-N 3.35Å; T466-L469 PolarHBondContact O-N 2.93Å; L469-T471 PolarHBondContact O-N 3.35Å; L469-L472 HydrophobicContact CB-CB 3.69Å; L469-L472 HydrophobicContact CB-CD2 4.46Å; L469-L472 HydrophobicContact CD1-CB 4.47Å; L469-L472 HydrophobicContact CD1-CD2 4.06Å; L469-L472 WeakPolarHBondContact O-CB 3.28Å; L469-L472 PolarHBondContact O-N 3.23Å; L469-K473 PolarHBondContact O-N 3.49Å
470	P	68.2	Low	69.4	Low	70 Å²	70	53.3 Å²	53.3	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-51.6	-40.4	178.5	-27.3	33.7	0	0	0	112.5	M468 L472 K473 E474	M468-P470 VanDerWaalsContact O-CD 3.26Å; M468-P470 WeakPolarHBondContact O-CD 3.39Å; P470-L472 PolarHBondContact O-N 3.18Å; P470-K473 WeakPolarHBondContact O-CB 3.35Å; P470-K473 PolarHBondContact O-N 3.13Å; P470-E474 WeakPolarHBondContact O-CB 3.31Å; P470-E474 WeakPolarHBondContact O-CG 2.86Å; P470-E474 PolarHBondContact O-N 2.89Å
471	T	72.4	Confident	69.5	Low	89 Å²	89	54.9 Å²	54.9	55%	0.546	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-38	177.3	53.8	0	0	0	0	113.4	L469 Q475	L469-T471 PolarHBondContact O-N 3.35Å; T471-Q475 WeakPolarHBondContact O-CB 3.35Å; T471-Q475 VanDerWaalsContact O-CG 3.23Å; T471-Q475 WeakPolarHBondContact O-CG 3.26Å; T471-Q475 PolarHBondContact O-N 3.34Å
472	L	68.9	Low	69.4	Low	61 Å²	61	58.7 Å²	58.7	32%	0.319	33%	0.325	S	S	.	.	H	α-helix	trans	-70	-42.5	175.6	178.9	61.7	0	0	0	110.6	T466 L469 P470 Q475 I476	T466-L472 HydrophobicContact CG2-CD2 4.33Å; L469-L472 HydrophobicContact CB-CB 3.69Å; L469-L472 HydrophobicContact CB-CD2 4.46Å; L469-L472 HydrophobicContact CD1-CB 4.47Å; L469-L472 HydrophobicContact CD1-CD2 4.06Å; L469-L472 WeakPolarHBondContact O-CB 3.28Å; L469-L472 PolarHBondContact O-N 3.23Å; P470-L472 PolarHBondContact O-N 3.18Å; L472-Q475 PolarHBondContact O-N 3.06Å; L472-I476 HydrophobicContact CD1-CD1 4.34Å; L472-I476 HydrophobicContact CG-CD1 4.08Å; L472-I476 VanDerWaalsContact O-CG1 3.29Å; L472-I476 WeakPolarHBondContact O-CG1 3.34Å; L472-I476 PolarHBondContact O-N 3.3Å
473	K	69.2	Low	69.2	Low	42 Å²	42	60 Å²	60	18%	0.183	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-45.4	176.6	-177.6	-173.2	173.5	-175.5	0	111.6	T143 F144 L469 P470 I476 M477	T143-K473 WeakPolarHBondContact O-CE 3.48Å; T143-K473 PolarHBondContact O-NZ 3.36Å; F144-K473 HydrophobicContact CD1-CG 3.88Å; F144-K473 HydrophobicContact CE1-CG 4.13Å; L469-K473 PolarHBondContact O-N 3.49Å; P470-K473 WeakPolarHBondContact O-CB 3.35Å; P470-K473 PolarHBondContact O-N 3.13Å; K473-I476 PolarHBondContact O-N 3.43Å; K473-M477 HydrophobicContact CG-SD 4.31Å; K473-M477 WeakPolarHBondContact O-CB 3.46Å; K473-M477 WeakPolarHBondContact O-CG 3.37Å; K473-M477 PolarHBondContact O-N 3.14Å
474	E	72.3	Confident	69.2	Low	94 Å²	94	62.5 Å²	62.5	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-43.6	173.3	-77.7	170	-151.1	0	0	111.7	P470 M477 A478	P470-E474 WeakPolarHBondContact O-CB 3.31Å; P470-E474 WeakPolarHBondContact O-CG 2.86Å; P470-E474 PolarHBondContact O-N 2.89Å; E474-M477 PolarHBondContact O-N 2.8Å; E474-A478 WeakPolarHBondContact O-CB 3.49Å; E474-A478 PolarHBondContact O-N 3.44Å
475	Q	74.6	Confident	69.4	Low	130 Å²	130	64.7 Å²	64.7	61%	0.607	35%	0.35	S	S	*	.	H	α-helix	trans	-62.5	-43.3	176.5	-77.9	177.1	1.6	0	0	112.3	T471 L472 Y479	T471-Q475 WeakPolarHBondContact O-CB 3.35Å; T471-Q475 VanDerWaalsContact O-CG 3.23Å; T471-Q475 WeakPolarHBondContact O-CG 3.26Å; T471-Q475 PolarHBondContact O-N 3.34Å; L472-Q475 PolarHBondContact O-N 3.06Å; Q475-Y479 VanDerWaalsContact O-CB 3.22Å; Q475-Y479 WeakPolarHBondContact O-CB 3.05Å; Q475-Y479 PolarHBondContact O-N 3.33Å
476	I	72.8	Confident	69.6	Low	70 Å²	70	65.9 Å²	65.9	36%	0.359	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-47	175.9	-68.8	165.3	0	0	0	110.2	F144 T466 L472 K473 Y479 A480	F144-I476 HydrophobicContact CE1-CG2 4.03Å; F144-I476 HydrophobicContact CZ-CG2 4.29Å; T466-I476 HydrophobicContact CG2-CD1 3.84Å; L472-I476 HydrophobicContact CD1-CD1 4.34Å; L472-I476 HydrophobicContact CG-CD1 4.08Å; L472-I476 VanDerWaalsContact O-CG1 3.29Å; L472-I476 WeakPolarHBondContact O-CG1 3.34Å; L472-I476 PolarHBondContact O-N 3.3Å; K473-I476 PolarHBondContact O-N 3.43Å; I476-Y479 PolarHBondContact O-N 3.02Å; I476-A480 WeakPolarHBondContact O-CB 3.49Å; I476-A480 PolarHBondContact O-N 3.26Å
477	M	73.1	Confident	69.7	Low	34 Å²	34	68.5 Å²	68.5	17%	0.167	36%	0.362	C	S	.	.	H	α-helix	trans	-64.1	-46.3	178.9	-73.7	-180	59.9	0	0	112	F144 K146 M153 K473 E474 Y479 A480 S481	F144-M477 HydrophobicContact CB-CG 4.4Å; F144-M477 HydrophobicContact CB-SD 3.97Å; F144-M477 HydrophobicContact CD1-CG 3.62Å; F144-M477 HydrophobicContact CD1-SD 3.89Å; F144-M477 HydrophobicContact CE1-CG 4.34Å; F144-M477 HydrophobicContact CG-CG 4.36Å; F144-M477 HydrophobicContact CG-SD 4.42Å; K146-M477 HydrophobicContact CB-CE 4.47Å; K146-M477 HydrophobicContact CG-CE 3.55Å; M153-M477 HydrophobicContact CE-CE 4.08Å; K473-M477 HydrophobicContact CG-SD 4.31Å; K473-M477 WeakPolarHBondContact O-CB 3.46Å; K473-M477 WeakPolarHBondContact O-CG 3.37Å; K473-M477 PolarHBondContact O-N 3.14Å; E474-M477 PolarHBondContact O-N 2.8Å; M477-Y479 VanDerWaalsContact C-N 3.3Å; M477-Y479 PolarHBondContact O-N 2.9Å; M477-A480 PolarHBondContact O-N 2.94Å; M477-S481 VanDerWaalsContact O-CB 3.29Å; M477-S481 WeakPolarHBondContact O-CB 3.4Å; M477-S481 PolarHBondContact O-N 2.95Å; M477-S481 PolarHBondContact O-OG 3.28Å
478	A	73.7	Confident	70.2	Confident	46 Å²	46	69.7 Å²	69.7	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-42.8	177.5	0	0	0	0	0	110.8	E474 S481 K482	E474-A478 WeakPolarHBondContact O-CB 3.49Å; E474-A478 PolarHBondContact O-N 3.44Å; A478-S481 WeakPolarHBondContact CA-OG 3.27Å; A478-S481 PolarHBondContact O-N 3.36Å; A478-S481 PolarHBondContact O-OG 2.91Å; A478-K482 WeakPolarHBondContact O-CG 3.5Å; A478-K482 PolarHBondContact O-N 3.32Å
479	Y	71.9	Confident	70.9	Confident	70 Å²	70	72.4 Å²	72.4	28%	0.275	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-38.2	179.1	-167.5	-110.4	0	0	0	112.9	R432 H433 M437 Q475 I476 M477 S481	R432-Y479 PolarHBondContact O-OH 3.25Å; H433-Y479 WeakPolarHBondContact CA-OH 3.5Å; H433-Y479 AromaticContact CE1-CE2 3.93Å; H433-Y479 AromaticContact ND1-CE2 3.47Å; H433-Y479 WeakPolarHBondContact ND1-CE2 3.46Å; H433-Y479 AromaticContact ND1-CZ 3.66Å; H433-Y479 PolarHBondContact O-OH 3.27Å; M437-Y479 HydrophobicContact CG-CD1 3.95Å; M437-Y479 HydrophobicContact CG-CE1 3.35Å; M437-Y479 HydrophobicContact SD-CD1 3.31Å; M437-Y479 WeakPolarHBondContact SD-CD1 3.14Å; M437-Y479 HydrophobicContact SD-CE1 3.3Å; M437-Y479 WeakPolarHBondContact SD-CE1 3.5Å; Q475-Y479 VanDerWaalsContact O-CB 3.22Å; Q475-Y479 WeakPolarHBondContact O-CB 3.05Å; Q475-Y479 PolarHBondContact O-N 3.33Å; I476-Y479 PolarHBondContact O-N 3.02Å; M477-Y479 VanDerWaalsContact C-N 3.3Å; M477-Y479 PolarHBondContact O-N 2.9Å; Y479-S481 VanDerWaalsContact C-N 3.32Å
480	A	68.3	Low	71.1	Confident	29 Å²	29	71.4 Å²	71.4	24%	0.24	38%	0.378	C	S	.	.	H	α-helix	trans	-73.8	-21.2	175.2	0	0	0	0	0	113.7	I476 M477	I476-A480 WeakPolarHBondContact O-CB 3.49Å; I476-A480 PolarHBondContact O-N 3.26Å; M477-A480 PolarHBondContact O-N 2.94Å
481	S	71.7	Confident	71.3	Confident	38 Å²	38	71.5 Å²	71.5	27%	0.266	37%	0.371	S	S	.	.	H	α-helix	trans	-84.2	-19.9	-179.4	73.2	0	0	0	0	114.6	G106 M477 A478 Y479	G106-S481 WeakPolarHBondContact CA-O 3.12Å; G106-S481 PolarHBondContact N-O 3.33Å; M477-S481 VanDerWaalsContact O-CB 3.29Å; M477-S481 WeakPolarHBondContact O-CB 3.4Å; M477-S481 PolarHBondContact O-N 2.95Å; M477-S481 PolarHBondContact O-OG 3.28Å; A478-S481 WeakPolarHBondContact CA-OG 3.27Å; A478-S481 PolarHBondContact O-N 3.36Å; A478-S481 PolarHBondContact O-OG 2.91Å; Y479-S481 VanDerWaalsContact C-N 3.32Å
482	K	66.8	Low	71.2	Confident	155 Å²	155	69.9 Å²	69.9	67%	0.674	36%	0.355	S	S	*	.			trans	-74.7	0	177.1	-76.2	176.1	-179.5	-178	0	111.1	A478	A478-K482 WeakPolarHBondContact O-CG 3.5Å; A478-K482 PolarHBondContact O-N 3.32Å

Retrieved 482 of 482 residues in 312.3 ms (Link to these results)

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