A0A2K5MFQ8_CERAT Loading...

Metabotropic glutamate receptor 3

G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling inhibits adenylate cyclase activity.

AlphaFold DB , UniProt , Accession A0A2K5MFQ8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene GRM3, Length 879 aa.

						>A0A2K5MFQ8_CERAT|A0A2K5MFQ8|GRM3
MKMLTRLQVLTLALFSKGFLLSLGDHNFLRREIKIEGDLVLGGLFPINEKGTGTEECGRINEDRGIQRLEAMLFAIDEINKDDYLLPGVKLGVHILDTCSRDTYALEQSLEFVRASLTKVDEAEYMCPDGSYAIQENIPLLIAGVIGGSYSSVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAKAMAEILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGRSNIRKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAASRANASFTWVASDGWGAQESIIKGSEHVAYGAITLELASQPVRQFDRYFQSLNPYNNHRNPWFRDFWEQKFQCSLQNKRNHRRVCDKHLAIDSSNYEQESKIMFVVNAVYAMAHALHKMQRTLCPNTTKLCDAMKILDGKKLYKDYLLKINFTAPFNPNKDADSIVKFDTFGDGMGRYNVFNFQNVGGKYSYLKVGHWAETLSLDVNSIHWSRNSVPTSQCSDPCAPNEMKNMQPGDVCCWICIPCESYEYLADEFTCMDCGPGQWPTADLTGCYDLPEDYIRWEDAWAIGPVTIACLGFMCTCMVITVFIKHNNTPLVKASGRELCYILLFGVGLSYCMTFFFIAKPSPVICALRRLGLGSSFAICYSALLTKTNCIARIFDGVKNGAQRPKFISPSSQVFICLGLILVQIVMVSVWLILEAPGTRRYTLAEKRETVILKCNVKDSSMLISLTYDVILVILCTVYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKVHIILFQPQKNVVTHRLHLNRFSVSGTGTTYSQSSASMYVPTVCNGREVLDSTTSSL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	51.6	Low	229 Å²	229	137.3 Å²	137.3	100%	1.128	68%	0.679	S	S	*	*				0	58.3	0	-162.6	170.2	80.1	0	0	112.6
2	K	46.4	Very low	51.8	Low	186 Å²	186	136.3 Å²	136.3	81%	0.809	68%	0.678	S	S	*	*			trans	-137.4	-4.9	174.8	-81.2	-173.1	175.4	178.3	0	114.9
3	M	43.2	Very low	51.8	Low	167 Å²	167	129.7 Å²	129.7	82%	0.823	66%	0.657	S	S	*	*	S	Bend	trans	-94.4	-39.4	-176.4	-159.6	167	-177.1	0	0	112	T5 R6 L7	M3-T5 VanDerWaalsContact C-N 3.35Å; M3-T5 PolarHBondContact O-N 3.35Å; M3-R6 PolarHBondContact O-N 2.96Å; M3-L7 PolarHBondContact O-N 3.5Å
4	L	50.3	Low	51.7	Low	129 Å²	129	128.5 Å²	128.5	68%	0.675	65%	0.652	S	S	*	*	H	α-helix	trans	-57.8	-43.7	178.2	-137.7	75	0	0	0	112.6	R6 L7 Q8	L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.42Å; L4-L7 WeakPolarHBondContact O-CB 3.44Å; L4-L7 PolarHBondContact O-N 3.23Å; L4-L7 VanDerWaalsContact O-N 3.12Å; L4-Q8 PolarHBondContact O-N 2.89Å
5	T	52.8	Low	51.4	Low	82 Å²	82	131 Å²	131	50%	0.503	66%	0.658	S	S	.	*	H	α-helix	trans	-65	-32.1	178.7	11.1	0	0	0	0	113.2	M3 V9	M3-T5 VanDerWaalsContact C-N 3.35Å; M3-T5 PolarHBondContact O-N 3.35Å; T5-V9 WeakPolarHBondContact O-CG2 3.34Å; T5-V9 PolarHBondContact O-N 3.45Å
6	R	50.5	Low	50.8	Low	208 Å²	208	126.7 Å²	126.7	79%	0.785	64%	0.644	S	S	*	*	H	α-helix	trans	-70.7	-35.2	172.5	-80	-170.7	169.3	-167.8	-3.4	111.9	M3 L4 L10	M3-R6 PolarHBondContact O-N 2.96Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.42Å; R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 PolarHBondContact O-N 3.28Å; R6-L10 VanDerWaalsContact O-N 3.12Å
7	L	52	Low	50.1	Low	113 Å²	113	127.9 Å²	127.9	59%	0.592	64%	0.643	S	S	*	*	H	α-helix	trans	-67.8	-42.9	178.3	-159.2	70.9	0	0	0	111.6	M3 L4 L10 T11	M3-L7 PolarHBondContact O-N 3.5Å; L4-L7 WeakPolarHBondContact O-CB 3.44Å; L4-L7 PolarHBondContact O-N 3.23Å; L4-L7 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 2.98Å; L7-T11 PolarHBondContact O-N 2.94Å; L7-T11 PolarHBondContact O-OG1 2.62Å
8	Q	52.3	Low	49.3	Very low	114 Å²	114	123.3 Å²	123.3	53%	0.533	63%	0.633	S	S	.	*	H	α-helix	trans	-64	-39.5	176.5	-71.4	176.8	-55.5	0	0	113.2	L4 L10 T11 L12	L4-Q8 PolarHBondContact O-N 2.89Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L10 PolarHBondContact O-N 3.39Å; Q8-T11 PolarHBondContact O-N 3.44Å; Q8-T11 PolarHBondContact O-OG1 2.87Å; Q8-L12 VanDerWaalsContact O-CD1 3.23Å; Q8-L12 WeakPolarHBondContact O-CD1 3.4Å; Q8-L12 PolarHBondContact O-N 3.03Å
9	V	56.8	Low	48.4	Very low	105 Å²	105	124.7 Å²	124.7	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-65.8	-37.1	174.6	171.9	0	0	0	0	111.1	T5 A13	T5-V9 WeakPolarHBondContact O-CG2 3.34Å; T5-V9 PolarHBondContact O-N 3.45Å; V9-A13 WeakPolarHBondContact O-CB 3.44Å; V9-A13 PolarHBondContact O-N 3.29Å
10	L	54.6	Low	47.7	Very low	110 Å²	110	125.1 Å²	125.1	58%	0.576	64%	0.638	S	S	*	*	H	α-helix	trans	-68.9	-40.2	177.7	-154.3	76.6	0	0	0	112.1	R6 L7 Q8 A13 L14	R6-L10 WeakPolarHBondContact O-CB 3.35Å; R6-L10 PolarHBondContact O-N 3.28Å; R6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 2.98Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L10 PolarHBondContact O-N 3.39Å; L10-A13 PolarHBondContact O-N 3.07Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.45Å
11	T	56.8	Low	47	Very low	67 Å²	67	126.2 Å²	126.2	41%	0.411	64%	0.644	S	S	.	*	H	α-helix	trans	-70.7	-37.7	177.4	53.4	0	0	0	0	112.7	L7 Q8 A13 L14 F15	L7-T11 PolarHBondContact O-N 2.94Å; L7-T11 PolarHBondContact O-OG1 2.62Å; Q8-T11 PolarHBondContact O-N 3.44Å; Q8-T11 PolarHBondContact O-OG1 2.87Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-L14 PolarHBondContact O-N 2.81Å; T11-F15 PolarHBondContact O-N 3.16Å
12	L	53.6	Low	45.9	Very low	126 Å²	126	120.1 Å²	120.1	66%	0.66	62%	0.624	S	S	*	*	H	α-helix	trans	-63.5	-38.5	170.9	-92.8	90.6	0	0	0	112.3	Q8 L14 F15 S16	Q8-L12 VanDerWaalsContact O-CD1 3.23Å; Q8-L12 WeakPolarHBondContact O-CD1 3.4Å; Q8-L12 PolarHBondContact O-N 3.03Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 3.3Å; L12-F15 PolarHBondContact O-N 3.34Å; L12-S16 WeakPolarHBondContact O-CB 3.09Å; L12-S16 PolarHBondContact O-N 2.65Å; L12-S16 PolarHBondContact O-OG 2.89Å
13	A	51.7	Low	45	Very low	50 Å²	50	117 Å²	117	41%	0.413	62%	0.616	S	S	.	*	H	α-helix	trans	-69	-26.9	176.6	0	0	0	0	0	113.5	V9 L10 T11 S16 K17	V9-A13 WeakPolarHBondContact O-CB 3.44Å; V9-A13 PolarHBondContact O-N 3.29Å; L10-A13 PolarHBondContact O-N 3.07Å; T11-A13 VanDerWaalsContact C-N 3.34Å; A13-S16 PolarHBondContact O-OG 3.04Å; A13-K17 PolarHBondContact O-N 3Å
14	L	51.2	Low	44.3	Very low	113 Å²	113	111.4 Å²	111.4	59%	0.592	60%	0.601	S	S	*	*	H	α-helix	trans	-78.5	-42.6	172.9	-74.2	164.9	0	0	0	111.6	L10 T11 L12 K17 G18	L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.45Å; T11-L14 PolarHBondContact O-N 2.81Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 PolarHBondContact O-N 3.3Å; L14-K17 PolarHBondContact O-N 3.04Å; L14-G18 PolarHBondContact O-N 3.29Å
15	F	47.5	Very low	43.3	Very low	166 Å²	166	111.2 Å²	111.2	73%	0.728	60%	0.601	S	S	*	*	H	α-helix	trans	-67.5	-37.7	176.2	-97.2	-87.6	0	0	0	113	T11 L12 G18 F19	T11-F15 PolarHBondContact O-N 3.16Å; L12-F15 PolarHBondContact O-N 3.34Å; F15-G18 PolarHBondContact O-N 3.13Å; F15-F19 PolarHBondContact O-N 2.83Å
16	S	41.8	Very low	42.2	Very low	62 Å²	62	114.7 Å²	114.7	43%	0.434	61%	0.611	S	S	.	*	H	α-helix	trans	-66.6	-37.6	175.7	64.9	0	0	0	0	112.3	L12 A13 L20	L12-S16 WeakPolarHBondContact O-CB 3.09Å; L12-S16 PolarHBondContact O-N 2.65Å; L12-S16 PolarHBondContact O-OG 2.89Å; A13-S16 PolarHBondContact O-OG 3.04Å; S16-L20 WeakPolarHBondContact O-CB 3.29Å; S16-L20 WeakPolarHBondContact O-CG 3.25Å; S16-L20 PolarHBondContact O-N 2.93Å
17	K	37.9	Very low	41.2	Very low	147 Å²	147	110.7 Å²	110.7	64%	0.639	61%	0.605	S	S	*	*	H	α-helix	trans	-65.5	-42.2	169.3	-83	-170.2	169.8	-171.4	0	112.7	A13 L14 F19 L20 L21	A13-K17 PolarHBondContact O-N 3Å; L14-K17 PolarHBondContact O-N 3.04Å; K17-F19 VanDerWaalsContact C-N 3.35Å; K17-F19 PolarHBondContact O-N 3.5Å; K17-L20 PolarHBondContact O-N 3.2Å; K17-L21 WeakPolarHBondContact O-CB 3.41Å; K17-L21 VanDerWaalsContact O-CG 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.15Å; K17-L21 PolarHBondContact O-N 2.94Å
18	G	36.3	Very low	40.6	Very low	45 Å²	45	113.7 Å²	113.7	46%	0.464	61%	0.614	S	S	.	*	H	α-helix	trans	-59.7	-43.2	176.6	0	0	0	0	0	112.7	L14 F15 L21 S22	L14-G18 PolarHBondContact O-N 3.29Å; F15-G18 PolarHBondContact O-N 3.13Å; G18-L21 PolarHBondContact O-N 3.12Å; G18-S22 PolarHBondContact O-N 2.8Å
19	F	32.5	Very low	40.6	Very low	151 Å²	151	115.7 Å²	115.7	66%	0.662	63%	0.627	S	S	*	*	H	α-helix	trans	-73	-38.8	179.3	-153.2	-100.3	0	0	0	112.6	F15 K17 L21 S22 L23	F15-F19 PolarHBondContact O-N 2.83Å; K17-F19 VanDerWaalsContact C-N 3.35Å; K17-F19 PolarHBondContact O-N 3.5Å; F19-L21 VanDerWaalsContact C-N 3.3Å; F19-L21 PolarHBondContact O-N 2.57Å; F19-S22 PolarHBondContact O-N 3.04Å; F19-S22 VanDerWaalsContact O-N 3.14Å; F19-L23 HydrophobicContact CD1-CD1 4.11Å; F19-L23 HydrophobicContact CE1-CD1 3.77Å
20	L	33.2	Very low	41.1	Very low	132 Å²	132	114.5 Å²	114.5	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-66.9	-28.3	174.5	-76.1	168	0	0	0	113.2	S16 K17 S22	S16-L20 WeakPolarHBondContact O-CB 3.29Å; S16-L20 WeakPolarHBondContact O-CG 3.25Å; S16-L20 PolarHBondContact O-N 2.93Å; K17-L20 PolarHBondContact O-N 3.2Å; L20-S22 VanDerWaalsContact C-N 3.28Å; L20-S22 PolarHBondContact O-N 3.09Å
21	L	34	Very low	42.6	Very low	149 Å²	149	114.9 Å²	114.9	78%	0.78	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-12.9	173	-75.1	167.4	0	0	0	113.7	K17 G18 F19	K17-L21 WeakPolarHBondContact O-CB 3.41Å; K17-L21 VanDerWaalsContact O-CG 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.15Å; K17-L21 PolarHBondContact O-N 2.94Å; G18-L21 PolarHBondContact O-N 3.12Å; F19-L21 VanDerWaalsContact C-N 3.3Å; F19-L21 PolarHBondContact O-N 2.57Å
22	S	29	Very low	44.3	Very low	101 Å²	101	114.1 Å²	114.1	71%	0.706	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-3.3	176.4	-168.8	0	0	0	0	114	G18 F19 L20	G18-S22 PolarHBondContact O-N 2.8Å; F19-S22 PolarHBondContact O-N 3.04Å; F19-S22 VanDerWaalsContact O-N 3.14Å; L20-S22 VanDerWaalsContact C-N 3.28Å; L20-S22 PolarHBondContact O-N 3.09Å
23	L	27.4	Very low	46.2	Very low	120 Å²	120	108.4 Å²	108.4	63%	0.628	57%	0.567	S	S	*	*	S	Bend	trans	-115.5	8.8	178.3	-94	158.4	0	0	0	112.9	F19 D25	F19-L23 HydrophobicContact CD1-CD1 4.11Å; F19-L23 HydrophobicContact CE1-CD1 3.77Å; L23-D25 PolarHBondContact O-N 3.1Å
24	G	27.7	Very low	48.1	Very low	50 Å²	50	111 Å²	111	52%	0.515	57%	0.569	S	S	.	*			trans	-74.1	63.1	163.4	0	0	0	0	0	111.1	H26	G24-H26 PolarHBondContact O-N 3.1Å
25	D	28.9	Very low	50.1	Low	124 Å²	124	107.8 Å²	107.8	66%	0.663	55%	0.552	S	S	*	*			trans	-66.8	84.4	170.6	180	36.9	0	0	0	108.9	L23 N27	L23-D25 PolarHBondContact O-N 3.1Å; D25-N27 PolarHBondContact O-N 2.95Å; D25-N27 PolarHBondContact OD1-ND2 3.18Å; D25-N27 PolarHBondContact OD2-ND2 2.89Å
26	H	30.1	Very low	52.2	Low	156 Å²	156	107 Å²	107	72%	0.722	55%	0.55	S	S	*	*			trans	-72.4	73.3	174.9	-92.8	-67.3	0	0	0	109.5	G24 F28	G24-H26 PolarHBondContact O-N 3.1Å; H26-F28 PolarHBondContact O-N 3.1Å
27	N	30.1	Very low	54.5	Low	124 Å²	124	105.4 Å²	105.4	66%	0.663	54%	0.543	S	S	*	.			trans	-64.7	63.3	155.6	-100.4	-65.3	0	0	0	109.5	D25 L29	D25-N27 PolarHBondContact O-N 2.95Å; D25-N27 PolarHBondContact OD1-ND2 3.18Å; D25-N27 PolarHBondContact OD2-ND2 2.89Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 3.44Å
28	F	38.8	Very low	57	Low	175 Å²	175	102.9 Å²	102.9	77%	0.768	54%	0.537	S	S	*	.			trans	-71.2	92	170.6	-139.3	-73.3	0	0	0	105.9	H26 R30	H26-F28 PolarHBondContact O-N 3.1Å; F28-R30 VanDerWaalsContact C-N 3.33Å; F28-R30 PolarHBondContact O-N 2.03Å
29	L	51.8	Low	59.7	Low	156 Å²	156	101.3 Å²	101.3	82%	0.817	52%	0.518	S	S	*	.			trans	-66.6	93.7	-169.7	-149.3	149.8	0	0	0	109.1	N27 R31	N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 3.44Å; L29-R31 PolarHBondContact O-N 3.48Å
30	R	67.9	Low	62.6	Low	80 Å²	80	94.4 Å²	94.4	30%	0.302	49%	0.488	S	S	.	.			trans	-57.7	119.8	-168.5	-165.3	-176	-154.9	150.9	-0.2	109.1	F28 E32 E107 Q108 E111	F28-R30 VanDerWaalsContact C-N 3.33Å; F28-R30 PolarHBondContact O-N 2.03Å; R30-E32 PolarHBondContact O-N 2.88Å; R30-E107 PolarHBondContact NH2-O 3.38Å; R30-Q108 VanDerWaalsContact CZ-OE1 3.24Å; R30-Q108 VanDerWaalsContact NH2-CD 3.35Å; R30-E111 IonicContact CZ-OE1 2.79Å; R30-E111 VanDerWaalsContact NH1-CD 3.25Å; R30-E111 VanDerWaalsContact NH1-CG 3.27Å; R30-E111 IonicContact NH1-OE1 2.79Å; R30-E111 PolarHBondContact NH1-OE1 2.97Å
31	R	86.5	Confident	65.7	Low	119 Å²	119	88.1 Å²	88.1	45%	0.449	46%	0.455	S	S	.	.			trans	-75.2	117	177.7	-68	-171.7	179.6	-168.5	4.4	109.2	L29 P349 W350 D353	L29-R31 PolarHBondContact O-N 3.48Å; R31-P349 HydrophobicContact CB-CG 4.48Å; R31-W350 HydrophobicContact CB-CH2 4.31Å; R31-W350 HydrophobicContact CB-CZ2 3.54Å; R31-W350 WeakPolarHBondContact O-CH2 3.44Å; R31-W350 WeakPolarHBondContact O-CZ2 3.35Å; R31-D353 IonicContact CZ-OD2 3.97Å; R31-D353 VanDerWaalsContact CZ-OD2 3.23Å; R31-D353 IonicContact NH1-OD2 2.88Å; R31-D353 PolarHBondContact NH1-OD2 2.74Å; R31-D353 IonicContact NH2-OD2 3.79Å; R31-D353 PolarHBondContact NH2-OD2 3.28Å
32	E	91.4	Very high	68.7	Low	51 Å²	51	81 Å²	81	24%	0.238	42%	0.418	C	S	.	.			trans	-147.7	161.8	179.6	62.4	-175.2	169.1	0	0	108.9	R30 K34 H94 I95 L96	R30-E32 PolarHBondContact O-N 2.88Å; E32-K34 HydrophobicContact CG-CD 4.44Å; E32-K34 HydrophobicContact CG-CG 4.47Å; E32-K34 VanDerWaalsContact OE1-CE 3.26Å; E32-K34 WeakPolarHBondContact OE1-CE 3.32Å; E32-K34 IonicContact OE1-NZ 2.72Å; E32-K34 PolarHBondContact OE1-NZ 3.47Å; E32-K34 WeakPolarHBondContact OE2-CE 3.4Å; E32-K34 IonicContact OE2-NZ 2.68Å; E32-K34 PolarHBondContact OE2-NZ 2.74Å; E32-H94 IonicContact OE2-CD2 3.64Å; E32-H94 IonicContact OE2-CE1 2.81Å; E32-H94 IonicContact OE2-NE2 3.23Å; E32-H94 PolarHBondContact OE2-NE2 3.01Å; E32-I95 WeakPolarHBondContact CA-O 3.47Å; E32-L96 HydrophobicContact CB-CD2 3.56Å
33	I	93.8	Very high	71.9	Confident	5 Å²	5	76.2 Å²	76.2	3%	0.026	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.7	167.4	-58.2	174.8	0	0	0	107.1	I35 L69 L73 H94 I95 R347 N348 P349 W350	I33-I35 HydrophobicContact CG2-CD1 4.03Å; I33-I35 HydrophobicContact CG2-CG1 3.97Å; I33-L69 HydrophobicContact CD1-CD1 4.01Å; I33-L69 HydrophobicContact CD1-CD2 3.85Å; I33-L69 HydrophobicContact CD1-CG 4.28Å; I33-L73 HydrophobicContact CD1-CD1 4.07Å; I33-H94 CarbonylContact O-C 3.6Å; I33-H94 VanDerWaalsContact O-CA 3.24Å; I33-H94 WeakPolarHBondContact O-CA 3.31Å; I33-I95 HydrophobicContact CB-CB 4.12Å; I33-I95 PolarHBondContact N-O 2.81Å; I33-I95 PolarHBondContact O-N 3.38Å; I33-R347 WeakPolarHBondContact CG1-O 3.05Å; I33-N348 HydrophobicContact CD1-CB 4.13Å; I33-P349 HydrophobicContact CG1-CG 4.38Å; I33-W350 HydrophobicContact CD1-CZ3 4.11Å; I33-W350 HydrophobicContact CG1-CZ3 3.92Å
34	K	92.7	Very high	75.3	Confident	106 Å²	106	70.5 Å²	70.5	46%	0.461	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.6	170.6	-77	171.2	170	157.3	0	108.4	E32 V93 H94 L140	E32-K34 HydrophobicContact CG-CD 4.44Å; E32-K34 HydrophobicContact CG-CG 4.47Å; E32-K34 VanDerWaalsContact OE1-CE 3.26Å; E32-K34 WeakPolarHBondContact OE1-CE 3.32Å; E32-K34 IonicContact OE1-NZ 2.72Å; E32-K34 PolarHBondContact OE1-NZ 3.47Å; E32-K34 WeakPolarHBondContact OE2-CE 3.4Å; E32-K34 IonicContact OE2-NZ 2.68Å; E32-K34 PolarHBondContact OE2-NZ 2.74Å; K34-V93 WeakPolarHBondContact CA-O 3.33Å; K34-H94 WeakPolarHBondContact CE-NE2 3.43Å; K34-L140 HydrophobicContact CB-CD1 4.46Å; K34-L140 HydrophobicContact CG-CD1 4.24Å
35	I	93.1	Very high	78.6	Confident	44 Å²	44	68.1 Å²	68.1	23%	0.226	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.9	174.6	-61.1	176.1	0	0	0	107.2	I33 L73 G92 V93	I33-I35 HydrophobicContact CG2-CD1 4.03Å; I33-I35 HydrophobicContact CG2-CG1 3.97Å; I35-L73 HydrophobicContact CD1-CD2 3.99Å; I35-G92 CarbonylContact O-C 3.43Å; I35-G92 WeakPolarHBondContact O-CA 3.32Å; I35-V93 HydrophobicContact CB-CG2 3.9Å; I35-V93 HydrophobicContact CD1-CG2 3.9Å; I35-V93 HydrophobicContact CG1-CG2 4.06Å; I35-V93 PolarHBondContact N-O 3.08Å; I35-V93 PolarHBondContact O-N 2.8Å
36	E	90.9	Very high	81.7	Confident	151 Å²	151	62.2 Å²	62.2	71%	0.706	30%	0.298	S	S	*	.			trans	-73.8	146	-176.9	-64.6	176.1	177.3	0	0	112.9	K90	E36-K90 WeakPolarHBondContact O-CE 3.27Å; E36-K90 PolarHBondContact O-NZ 2.8Å
37	G	90.4	Very high	84.8	Confident	27 Å²	27	54.8 Å²	54.8	28%	0.278	26%	0.264	S	S	.	.			trans	-166.3	171	173.8	0	0	0	0	0	109.8	L39 K90	G37-L39 PolarHBondContact O-N 2.81Å; G37-K90 CarbonylContact C-O 3.5Å; G37-K90 WeakPolarHBondContact CA-O 3.4Å
38	D	90.4	Very high	87.7	Confident	95 Å²	95	49.9 Å²	49.9	51%	0.508	24%	0.238	S	C	.	.	S	Bend	trans	-63.1	-29.5	-179.4	-59	-74.2	0	0	0	112.4	V89 K90 L418	D38-V89 HydrophobicContact CB-CG1 3.96Å; D38-K90 PolarHBondContact N-O 3.06Å; D38-K90 PolarHBondContact OD2-N 2.93Å; D38-L418 HydrophobicContact CB-CD1 3.83Å; D38-L418 HydrophobicContact CB-CG 4.32Å; D38-L418 WeakPolarHBondContact O-CD1 3.33Å
39	L	92.6	Very high	90	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.8	168.8	-61.9	177.7	0	0	0	109.4	G37 V89 K90 L91 G92 L404 L418 M422 L425	G37-L39 PolarHBondContact O-N 2.81Å; L39-V89 HydrophobicContact CD1-CG1 4.28Å; L39-V89 HydrophobicContact CG-CG1 4.3Å; L39-K90 PolarHBondContact N-O 2.97Å; L39-L91 HydrophobicContact CB-CD2 4.03Å; L39-L91 WeakPolarHBondContact O-CA 3.47Å; L39-G92 PolarHBondContact O-N 2.81Å; L39-L404 HydrophobicContact CD1-CD1 3.99Å; L39-L404 HydrophobicContact CD1-CD2 4.01Å; L39-L404 HydrophobicContact CD1-CG 4.41Å; L39-L418 HydrophobicContact CD1-CD2 4.13Å; L39-L418 HydrophobicContact CD2-CD1 3.7Å; L39-L418 HydrophobicContact CD2-CD2 4.34Å; L39-L418 HydrophobicContact CG-CD1 3.94Å; L39-L418 HydrophobicContact CG-CD2 4.2Å; L39-M422 HydrophobicContact CD1-CE 4.43Å; L39-L425 HydrophobicContact CD2-CD1 4.05Å
40	V	94.3	Very high	91.4	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.9	-177.7	-177.6	0	0	0	0	111.2	G92 H94 L140 I142 A143	V40-G92 WeakPolarHBondContact CA-O 3.43Å; V40-H94 HydrophobicContact CG1-CB 4.09Å; V40-L140 HydrophobicContact CG1-CB 4.4Å; V40-L140 HydrophobicContact CG1-CD1 4.24Å; V40-L140 HydrophobicContact CG2-CB 4.3Å; V40-L140 HydrophobicContact CG2-CD1 4.38Å; V40-L140 HydrophobicContact CG2-CD2 4.37Å; V40-I142 HydrophobicContact CB-CD1 4.24Å; V40-I142 HydrophobicContact CG1-CD1 3.68Å; V40-A143 PolarHBondContact O-N 3.49Å
41	L	97.1	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.2	171.8	-58.3	-168.2	0	0	0	111.6	M72 I76 G92 V93 H94 A143 G144 I146 M400 L404	L41-M72 HydrophobicContact CB-CE 3.91Å; L41-I76 HydrophobicContact CD1-CD1 4.16Å; L41-G92 PolarHBondContact N-O 2.79Å; L41-V93 CarbonylContact O-C 3.56Å; L41-V93 VanDerWaalsContact O-CA 3.26Å; L41-V93 WeakPolarHBondContact O-CA 3.47Å; L41-H94 PolarHBondContact O-N 3.35Å; L41-A143 HydrophobicContact CD2-CB 4.12Å; L41-G144 WeakPolarHBondContact CA-O 3.41Å; L41-I146 HydrophobicContact CD1-CG1 4.5Å; L41-M400 HydrophobicContact CD1-CB 4.17Å; L41-M400 HydrophobicContact CD1-CG 3.89Å; L41-M400 HydrophobicContact CD2-CG 3.69Å; L41-M400 HydrophobicContact CG-CG 4.49Å; L41-L404 HydrophobicContact CD2-CD1 4.24Å
42	G	96.9	Very high	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.9	170.8	0	0	0	0	0	110.9	H94 G144 V145 I146	G42-H94 CarbonylContact C-O 3.52Å; G42-H94 VanDerWaalsContact CA-O 3.31Å; G42-H94 WeakPolarHBondContact CA-O 3.47Å; G42-G144 PolarHBondContact N-O 2.88Å; G42-V145 CarbonylContact O-C 3.57Å; G42-V145 WeakPolarHBondContact O-CA 3.29Å; G42-I146 PolarHBondContact O-N 3.48Å
43	G	97.3	Very high	90.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.7	178.5	0	0	0	0	0	112.1	H94 I95 L96	G43-H94 PolarHBondContact N-O 3.13Å; G43-I95 WeakPolarHBondContact O-CA 3.17Å; G43-L96 PolarHBondContact O-N 2.99Å
44	L	97.5	Very high	89	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.1	178.8	-70.2	176.4	0	0	0	111.2	L96 T98 F112 V145 I146 V157 Y171	L44-L96 HydrophobicContact CD2-CB 4.15Å; L44-T98 HydrophobicContact CB-CG2 3.84Å; L44-T98 HydrophobicContact CD2-CG2 4.02Å; L44-T98 HydrophobicContact CG-CG2 4.41Å; L44-F112 HydrophobicContact CD1-CE2 4.05Å; L44-F112 HydrophobicContact CD2-CE2 3.73Å; L44-F112 HydrophobicContact CD2-CZ 3.91Å; L44-F112 HydrophobicContact CG-CE2 3.72Å; L44-F112 HydrophobicContact CG-CZ 4.1Å; L44-V145 HydrophobicContact CD1-CG1 4.01Å; L44-V145 HydrophobicContact CG-CG1 4.18Å; L44-I146 PolarHBondContact N-O 3.3Å; L44-V157 HydrophobicContact CD1-CB 4.38Å; L44-V157 HydrophobicContact CD1-CG1 3.75Å; L44-V157 HydrophobicContact CD1-CG2 3.88Å; L44-Y171 PolarHBondContact O-OH 3.41Å
45	F	96.9	Very high	88.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.3	-179.2	-59.3	-82.7	0	0	0	111.3	I47 R68 L69 M72 I95 L96 D97 T98 Y171 V393	F45-I47 HydrophobicContact CB-CG1 3.97Å; F45-I47 PolarHBondContact O-N 2.96Å; F45-I47 VanDerWaalsContact O-N 3.08Å; F45-R68 HydrophobicContact CD1-CB 3.64Å; F45-R68 HydrophobicContact CE1-CB 3.87Å; F45-R68 WeakPolarHBondContact CE1-O 3.37Å; F45-L69 HydrophobicContact CB-CB 4.42Å; F45-L69 HydrophobicContact CD2-CB 4.04Å; F45-L69 HydrophobicContact CD2-CG 4.46Å; F45-L69 HydrophobicContact CG-CB 4.08Å; F45-M72 HydrophobicContact CE2-CB 4.21Å; F45-M72 HydrophobicContact CE2-SD 3.66Å; F45-M72 HydrophobicContact CZ-CB 3.71Å; F45-M72 HydrophobicContact CZ-CG 4.32Å; F45-M72 HydrophobicContact CZ-SD 3.67Å; F45-I95 HydrophobicContact CD2-CG2 3.56Å; F45-I95 HydrophobicContact CE2-CD1 4.37Å; F45-I95 HydrophobicContact CE2-CG2 3.88Å; F45-L96 PolarHBondContact N-O 3.15Å; F45-D97 CarbonylContact O-C 3.46Å; F45-T98 PolarHBondContact O-N 3.48Å; F45-T98 PolarHBondContact O-OG1 2.9Å; F45-Y171 AromaticContact CD1-CE1 3.94Å; F45-Y171 HydrophobicContact CD1-CE1 3.94Å; F45-Y171 AromaticContact CD1-CZ 3.66Å; F45-Y171 WeakPolarHBondContact CD1-OH 3.28Å; F45-Y171 HydrophobicContact CE1-CD1 4.31Å; F45-Y171 AromaticContact CE1-CE1 3.49Å; F45-Y171 HydrophobicContact CE1-CE1 3.49Å; F45-Y171 VanDerWaalsContact CE1-CE1 3.49Å; F45-Y171 AromaticContact CE1-CZ 3.67Å; F45-Y171 HydrophobicContact CZ-CE1 4.17Å; F45-V393 HydrophobicContact CE1-CG1 4.17Å; F45-V393 HydrophobicContact CZ-CG1 4.41Å
46	P	94.6	Very high	87.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.29	C	S	.	.			trans	-82.3	72	170	34.4	-32.8	0	0	0	108.6	N48 N61 R64 G65 T98 Y150	P46-N48 VanDerWaalsContact C-N 3.26Å; P46-N48 PolarHBondContact O-N 3.04Å; P46-N61 WeakPolarHBondContact O-CB 3.37Å; P46-R64 WeakPolarHBondContact CD-O 3.32Å; P46-R64 HydrophobicContact CG-CB 4.24Å; P46-R64 WeakPolarHBondContact CG-O 3.46Å; P46-G65 WeakPolarHBondContact O-CA 3.37Å; P46-T98 WeakPolarHBondContact CA-OG1 3.36Å; P46-Y150 HydrophobicContact CB-CE2 3.98Å; P46-Y150 HydrophobicContact CG-CE2 4.38Å
47	I	94.9	Very high	87.2	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.			trans	-67	-36.9	-176.9	-45.4	174	0	0	0	109.2	F45 I60 N61 I66 L69 D97 W350	F45-I47 HydrophobicContact CB-CG1 3.97Å; F45-I47 PolarHBondContact O-N 2.96Å; F45-I47 VanDerWaalsContact O-N 3.08Å; I47-I60 CarbonylContact O-C 3.56Å; I47-I60 WeakPolarHBondContact O-CA 3.22Å; I47-N61 PolarHBondContact O-N 3.06Å; I47-I66 HydrophobicContact CG2-CD1 3.77Å; I47-L69 HydrophobicContact CD1-CD1 3.45Å; I47-L69 VanDerWaalsContact CD1-CD1 3.45Å; I47-L69 HydrophobicContact CG1-CD1 3.99Å; I47-D97 HydrophobicContact CB-CB 4.31Å; I47-D97 WeakPolarHBondContact CB-OD1 3.35Å; I47-D97 HydrophobicContact CD1-CB 3.9Å; I47-D97 HydrophobicContact CG1-CB 4.18Å; I47-D97 PolarHBondContact N-OD1 2.95Å; I47-W350 HydrophobicContact CD1-CD2 3.88Å; I47-W350 HydrophobicContact CD1-CE3 3.62Å; I47-W350 HydrophobicContact CD1-CH2 3.47Å; I47-W350 VanDerWaalsContact CD1-CH2 3.47Å; I47-W350 HydrophobicContact CD1-CZ2 3.72Å; I47-W350 HydrophobicContact CD1-CZ3 3.4Å; I47-W350 HydrophobicContact CG2-CB 3.97Å; I47-W350 HydrophobicContact CG2-CD2 3.91Å; I47-W350 HydrophobicContact CG2-CE3 4.34Å; I47-W350 HydrophobicContact CG2-CG 3.74Å
48	N	91.8	Very high	87.1	Confident	21 Å²	21	45 Å²	45	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	153.1	166.7	-65.3	-75.4	0	0	0	113.1	P46 C57 G58 R59 I60 D97 C99 S100	P46-N48 VanDerWaalsContact C-N 3.26Å; P46-N48 PolarHBondContact O-N 3.04Å; N48-C57 HydrophobicContact CB-CB 3.94Å; N48-G58 PolarHBondContact OD1-O 2.89Å; N48-R59 CarbonylContact C-O 3.37Å; N48-R59 VanDerWaalsContact CA-O 3.28Å; N48-R59 WeakPolarHBondContact CA-O 3.44Å; N48-R59 PolarHBondContact OD1-O 3.19Å; N48-I60 VanDerWaalsContact OD1-CG1 3.26Å; N48-I60 WeakPolarHBondContact OD1-CG1 3.05Å; N48-I60 PolarHBondContact OD1-N 2.79Å; N48-D97 PolarHBondContact N-OD1 3.41Å; N48-D97 PolarHBondContact N-OD2 3.08Å; N48-D97 PolarHBondContact ND2-OD2 3.48Å; N48-C99 CarbonylContact O-C 3.55Å; N48-C99 VanDerWaalsContact O-C 3.29Å; N48-C99 WeakPolarHBondContact O-CA 3.35Å; N48-S100 PolarHBondContact O-N 3.09Å; N48-S100 PolarHBondContact O-OG 3.37Å; N48-S100 VanDerWaalsContact O-OG 3.06Å
49	E	86.1	Confident	87	Confident	83 Å²	83	49.1 Å²	49.1	39%	0.388	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	172.7	165.5	-63.4	-179.4	153.5	0	0	111.1	G51 G58 R59 N61 C99	E49-G51 PolarHBondContact O-N 2.96Å; E49-G58 PolarHBondContact O-N 2.97Å; E49-R59 PolarHBondContact N-O 2.75Å; E49-N61 HydrophobicContact CG-CB 4.35Å; E49-C99 CarbonylContact C-O 3.47Å
50	K	81.4	Confident	87	Confident	92 Å²	92	49.1 Å²	49.1	40%	0.4	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.7	173.3	179.5	-174.3	173.2	-165.4	0	109.6	C99 R101	K50-C99 WeakPolarHBondContact CA-O 3.4Å; K50-R101 HydrophobicContact CB-CG 4.47Å; K50-R101 HydrophobicContact CG-CG 3.94Å
51	G	79.4	Confident	86.8	Confident	8 Å²	8	49.9 Å²	49.9	8%	0.082	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.5	152.1	176.3	0	0	0	0	0	113.7	E49 E55 E56 C57	E49-G51 PolarHBondContact O-N 2.96Å; G51-E55 CarbonylContact C-O 3.51Å; G51-E55 WeakPolarHBondContact CA-O 3.06Å; G51-E56 PolarHBondContact N-O 2.98Å; G51-C57 VanDerWaalsContact CA-C 3.49Å
52	T	72.4	Confident	86.4	Confident	112 Å²	112	51.8 Å²	51.8	69%	0.687	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-101.2	132.2	179.9	49.1	0	0	0	0	111.8	T54 E55	T52-T54 PolarHBondContact O-N 3.49Å; T52-E55 PolarHBondContact O-N 3.45Å
53	G	69.1	Low	85.9	Confident	85 Å²	85	54.1 Å²	54.1	88%	0.876	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-114.8	178.8	0	0	0	0	0	112
54	T	68.4	Low	85.5	Confident	148 Å²	148	54.9 Å²	54.9	91%	0.908	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.9	-178.4	50.2	0	0	0	0	114.1	T52	T52-T54 PolarHBondContact O-N 3.49Å
55	E	75.5	Confident	85.3	Confident	117 Å²	117	54.9 Å²	54.9	55%	0.547	30%	0.303	S	S	.	.			trans	-76.7	136.8	177.3	-64.7	-177.8	152	0	0	110.6	G51 T52 R101	G51-E55 CarbonylContact C-O 3.51Å; G51-E55 WeakPolarHBondContact CA-O 3.06Å; T52-E55 PolarHBondContact O-N 3.45Å; E55-R101 PolarHBondContact O-NH1 3.23Å
56	E	76.7	Confident	85.3	Confident	107 Å²	107	54.9 Å²	54.9	50%	0.5	30%	0.303	S	S	.	.	S	Bend	trans	-73.1	-47.8	-179.2	-60.8	-168.6	141.6	0	0	111.4	G51 R101 Y104	G51-E56 PolarHBondContact N-O 2.98Å; E56-R101 WeakPolarHBondContact O-CD 3.12Å; E56-R101 PolarHBondContact O-NH1 3.34Å; E56-Y104 HydrophobicContact CB-CD2 4.44Å; E56-Y104 HydrophobicContact CB-CE2 4.43Å; E56-Y104 WeakPolarHBondContact OE2-CE2 3.38Å
57	C	87.3	Confident	85.3	Confident	32 Å²	32	55 Å²	55	22%	0.216	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.5	-173.5	-53.5	0	0	0	0	109.9	N48 G51 C99	N48-C57 HydrophobicContact CB-CB 3.94Å; G51-C57 VanDerWaalsContact CA-C 3.49Å; C57-C99 HydrophobicContact CB-CB 3.71Å; C57-C99 WeakPolarHBondContact CB-SG 3.43Å; C57-C99 WeakPolarHBondContact SG-CB 3.48Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 2.83Å
58	G	87.7	Confident	85.4	Confident	27 Å²	27	55 Å²	55	28%	0.278	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-141.1	-178.3	0	0	0	0	0	113.1	N48 E49	N48-G58 PolarHBondContact OD1-O 2.89Å; E49-G58 PolarHBondContact O-N 2.97Å
59	R	89.1	Confident	85.7	Confident	182 Å²	182	54 Å²	54	69%	0.687	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	163.1	175	-63.5	177.7	-180	-175.9	1	111.1	N48 E49 N61	N48-R59 CarbonylContact C-O 3.37Å; N48-R59 VanDerWaalsContact CA-O 3.28Å; N48-R59 WeakPolarHBondContact CA-O 3.44Å; N48-R59 PolarHBondContact OD1-O 3.19Å; E49-R59 PolarHBondContact N-O 2.75Å; R59-N61 PolarHBondContact O-N 3.21Å
60	I	91.7	Very high	86.2	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.062	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.9	174.7	-72.8	172.3	0	0	0	109.5	I47 N48 I66 W350 D353 F354 Q357	I47-I60 CarbonylContact O-C 3.56Å; I47-I60 WeakPolarHBondContact O-CA 3.22Å; N48-I60 VanDerWaalsContact OD1-CG1 3.26Å; N48-I60 WeakPolarHBondContact OD1-CG1 3.05Å; N48-I60 PolarHBondContact OD1-N 2.79Å; I60-I66 HydrophobicContact CG2-CD1 3.98Å; I60-I66 HydrophobicContact CG2-CG1 3.51Å; I60-W350 HydrophobicContact CD1-CB 4.46Å; I60-D353 HydrophobicContact CD1-CB 3.49Å; I60-D353 VanDerWaalsContact CD1-CB 3.49Å; I60-F354 HydrophobicContact CD1-CB 4.38Å; I60-F354 HydrophobicContact CG2-CB 4.16Å; I60-F354 HydrophobicContact CG2-CD2 4.46Å; I60-Q357 VanDerWaalsContact N-OE1 3.12Å; I60-Q357 PolarHBondContact O-NE2 3.19Å
61	N	90.1	Very high	87	Confident	21 Å²	21	45.7 Å²	45.7	11%	0.112	26%	0.261	C	S	.	.			trans	-90.4	109	173	-164.1	-66.8	0	0	0	109.3	P46 I47 E49 R59 R64 G65 I66	P46-N61 WeakPolarHBondContact O-CB 3.37Å; I47-N61 PolarHBondContact O-N 3.06Å; E49-N61 HydrophobicContact CG-CB 4.35Å; R59-N61 PolarHBondContact O-N 3.21Å; N61-R64 WeakPolarHBondContact OD1-CA 3.24Å; N61-R64 VanDerWaalsContact OD1-CB 3.24Å; N61-R64 WeakPolarHBondContact OD1-CB 3.26Å; N61-R64 PolarHBondContact OD1-N 3.12Å; N61-G65 CarbonylContact O-C 3.55Å; N61-G65 VanDerWaalsContact O-CA 3.26Å; N61-G65 WeakPolarHBondContact O-CA 3.33Å; N61-G65 PolarHBondContact O-N 2.82Å; N61-G65 PolarHBondContact OD1-N 2.84Å; N61-I66 PolarHBondContact O-N 2.68Å
62	E	90.1	Very high	87.9	Confident	41 Å²	41	45.3 Å²	45.3	19%	0.192	26%	0.257	C	S	.	.	I	π-helix	trans	-62.8	-61.8	179.5	174.7	163	-175.1	0	0	111	I66 Q67 F354 K358	E62-I66 PolarHBondContact O-N 3.01Å; E62-Q67 PolarHBondContact O-N 2.7Å; E62-F354 HydrophobicContact CB-CD2 4.48Å; E62-F354 HydrophobicContact CB-CE2 3.96Å; E62-F354 VanDerWaalsContact CD-CE2 3.46Å; E62-F354 HydrophobicContact CG-CE2 3.57Å; E62-F354 HydrophobicContact CG-CZ 4.12Å; E62-K358 WeakPolarHBondContact OE1-CD 3.42Å; E62-K358 WeakPolarHBondContact OE1-CE 3.11Å; E62-K358 IonicContact OE1-NZ 2.68Å; E62-K358 PolarHBondContact OE1-NZ 3.38Å
63	D	86.9	Confident	89.1	Confident	49 Å²	49	40 Å²	40	26%	0.262	23%	0.225	S	C	.	.	I	π-helix	trans	-68.9	-50.8	-167.5	-41.8	-37.9	0	0	0	112.5	E387	D63-E387 HydrophobicContact CB-CB 4.25Å; D63-E387 HydrophobicContact CB-CG 4.02Å; D63-E387 WeakPolarHBondContact O-CB 3.38Å
64	R	88.7	Confident	90.5	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.06	18%	0.184	C	C	.	.	I	π-helix	trans	-92.3	-18.4	-171.6	-55.8	-178.7	172.6	-150.4	-5.9	112.8	P46 N61 R68 S278 G302 Q306	P46-R64 WeakPolarHBondContact CD-O 3.32Å; P46-R64 HydrophobicContact CG-CB 4.24Å; P46-R64 WeakPolarHBondContact CG-O 3.46Å; N61-R64 WeakPolarHBondContact OD1-CA 3.24Å; N61-R64 VanDerWaalsContact OD1-CB 3.24Å; N61-R64 WeakPolarHBondContact OD1-CB 3.26Å; N61-R64 PolarHBondContact OD1-N 3.12Å; R64-R68 WeakPolarHBondContact O-CD 3.41Å; R64-R68 PolarHBondContact O-NH1 2.95Å; R64-S278 VanDerWaalsContact CZ-OG 3.24Å; R64-S278 PolarHBondContact NH1-OG 3.44Å; R64-G302 PolarHBondContact NH2-O 3.13Å; R64-Q306 VanDerWaalsContact NE-OE1 3.13Å
65	G	93.1	Very high	91.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-101.8	-78.8	-179.5	0	0	0	0	0	112.5	P46 N61 R68 L69	P46-G65 WeakPolarHBondContact O-CA 3.37Å; N61-G65 CarbonylContact O-C 3.55Å; N61-G65 VanDerWaalsContact O-CA 3.26Å; N61-G65 WeakPolarHBondContact O-CA 3.33Å; N61-G65 PolarHBondContact O-N 2.82Å; N61-G65 PolarHBondContact OD1-N 2.84Å; G65-R68 PolarHBondContact O-N 3.2Å; G65-L69 WeakPolarHBondContact O-CB 3.43Å; G65-L69 PolarHBondContact O-N 2.74Å
66	I	95.5	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	I	π-helix	trans	-62.7	-48.8	-172	-62.4	-70.6	0	0	0	112.1	I47 I60 N61 E62 R68 L69 E70 F337 W350 F351 F354	I47-I66 HydrophobicContact CG2-CD1 3.77Å; I60-I66 HydrophobicContact CG2-CD1 3.98Å; I60-I66 HydrophobicContact CG2-CG1 3.51Å; N61-I66 PolarHBondContact O-N 2.68Å; E62-I66 PolarHBondContact O-N 3.01Å; I66-R68 VanDerWaalsContact C-N 3.31Å; I66-R68 PolarHBondContact O-N 3.47Å; I66-L69 PolarHBondContact O-N 2.74Å; I66-E70 HydrophobicContact CG2-CG 4.48Å; I66-E70 WeakPolarHBondContact O-CG 3.27Å; I66-E70 PolarHBondContact O-N 3.08Å; I66-F337 HydrophobicContact CG2-CE2 4.08Å; I66-F337 HydrophobicContact CG2-CZ 4.12Å; I66-W350 HydrophobicContact CD1-CB 3.93Å; I66-F351 HydrophobicContact CG2-CD2 4.37Å; I66-F354 HydrophobicContact CD1-CB 4.15Å; I66-F354 HydrophobicContact CG1-CB 4.11Å; I66-F354 HydrophobicContact CG1-CD2 4.23Å; I66-F354 HydrophobicContact CG1-CG 4.08Å; I66-F354 HydrophobicContact CG2-CD1 3.91Å; I66-F354 HydrophobicContact CG2-CE1 4.11Å; I66-F354 HydrophobicContact CG2-CG 4.13Å
67	Q	96.1	Very high	94	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-42.6	179.8	-59.9	-166.8	35.1	0	0	111.5	E62 E70 A71 F333 F337 Y384 E385 I390	E62-Q67 PolarHBondContact O-N 2.7Å; Q67-E70 PolarHBondContact O-N 2.77Å; Q67-A71 WeakPolarHBondContact O-CB 3.02Å; Q67-A71 PolarHBondContact O-N 3.17Å; Q67-F333 HydrophobicContact CB-CE1 4.36Å; Q67-F333 HydrophobicContact CB-CZ 4.42Å; Q67-F333 VanDerWaalsContact O-CZ 3.23Å; Q67-F333 WeakPolarHBondContact O-CZ 3.3Å; Q67-F337 HydrophobicContact CG-CE1 4.31Å; Q67-F337 HydrophobicContact CG-CE2 4.31Å; Q67-F337 HydrophobicContact CG-CZ 3.97Å; Q67-Y384 HydrophobicContact CG-CE2 4.23Å; Q67-E385 PolarHBondContact NE2-O 2.85Å; Q67-E385 PolarHBondContact OE1-O 3.3Å; Q67-I390 VanDerWaalsContact C-CD1 3.47Å; Q67-I390 HydrophobicContact CB-CD1 3.7Å; Q67-I390 WeakPolarHBondContact O-CD1 3.34Å
68	R	96.6	Very high	94.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-71.3	-37.3	-178	-61.9	-163	-164.9	143.9	-12.9	113.4	F45 R64 G65 I66 A71 M72 S149 E387 I390 V393	F45-R68 HydrophobicContact CD1-CB 3.64Å; F45-R68 HydrophobicContact CE1-CB 3.87Å; F45-R68 WeakPolarHBondContact CE1-O 3.37Å; R64-R68 WeakPolarHBondContact O-CD 3.41Å; R64-R68 PolarHBondContact O-NH1 2.95Å; G65-R68 PolarHBondContact O-N 3.2Å; I66-R68 VanDerWaalsContact C-N 3.31Å; I66-R68 PolarHBondContact O-N 3.47Å; R68-A71 PolarHBondContact O-N 2.84Å; R68-M72 PolarHBondContact O-N 2.74Å; R68-M72 VanDerWaalsContact O-N 3.15Å; R68-S149 PolarHBondContact NH1-OG 2.94Å; R68-E387 IonicContact CZ-OE1 2.73Å; R68-E387 IonicContact CZ-OE2 3.51Å; R68-E387 IonicContact NE-OE1 2.73Å; R68-E387 IonicContact NE-OE2 3.41Å; R68-E387 PolarHBondContact NE-OE2 3.21Å; R68-E387 VanDerWaalsContact NH2-CD 3.31Å; R68-E387 IonicContact NH2-OE1 3.4Å; R68-E387 PolarHBondContact NH2-OE1 3.06Å; R68-E387 IonicContact NH2-OE2 2.69Å; R68-E387 PolarHBondContact NH2-OE2 3.25Å; R68-I390 HydrophobicContact CB-CD1 4.47Å; R68-I390 HydrophobicContact CG-CD1 3.97Å; R68-V393 HydrophobicContact CB-CG2 4.02Å; R68-V393 HydrophobicContact CG-CG2 4.09Å
69	L	97.3	Very high	94.9	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-49.3	171.2	174.3	156.8	0	0	0	110.5	I33 F45 I47 G65 I66 A71 M72 L73 I95 N348 W350	I33-L69 HydrophobicContact CD1-CD1 4.01Å; I33-L69 HydrophobicContact CD1-CD2 3.85Å; I33-L69 HydrophobicContact CD1-CG 4.28Å; F45-L69 HydrophobicContact CB-CB 4.42Å; F45-L69 HydrophobicContact CD2-CB 4.04Å; F45-L69 HydrophobicContact CD2-CG 4.46Å; F45-L69 HydrophobicContact CG-CB 4.08Å; I47-L69 HydrophobicContact CD1-CD1 3.45Å; I47-L69 VanDerWaalsContact CD1-CD1 3.45Å; I47-L69 HydrophobicContact CG1-CD1 3.99Å; G65-L69 WeakPolarHBondContact O-CB 3.43Å; G65-L69 PolarHBondContact O-N 2.74Å; I66-L69 PolarHBondContact O-N 2.74Å; L69-A71 VanDerWaalsContact C-N 3.27Å; L69-A71 PolarHBondContact O-N 2.72Å; L69-M72 PolarHBondContact O-N 2.68Å; L69-L73 HydrophobicContact CD2-CD1 3.67Å; L69-L73 HydrophobicContact CD2-CG 4.42Å; L69-L73 PolarHBondContact O-N 3.16Å; L69-L73 VanDerWaalsContact O-N 3.14Å; L69-I95 HydrophobicContact CD1-CG2 3.88Å; L69-I95 HydrophobicContact CG-CD1 4.26Å; L69-I95 HydrophobicContact CG-CG2 4.17Å; L69-N348 HydrophobicContact CD2-CB 4.44Å; L69-N348 WeakPolarHBondContact CD2-ND2 3.32Å; L69-W350 HydrophobicContact CD1-CE3 4.08Å; L69-W350 HydrophobicContact CD1-CZ3 4.01Å
70	E	97.7	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-27.9	178.2	-68.4	-62.1	169.8	0	0	112.2	I66 Q67 L73 F74 F333 Y336 F337 L340 N345 N348	I66-E70 HydrophobicContact CG2-CG 4.48Å; I66-E70 WeakPolarHBondContact O-CG 3.27Å; I66-E70 PolarHBondContact O-N 3.08Å; Q67-E70 PolarHBondContact O-N 2.77Å; E70-L73 PolarHBondContact O-N 3.09Å; E70-F74 VanDerWaalsContact O-CB 3.23Å; E70-F74 WeakPolarHBondContact O-CB 3.44Å; E70-F74 PolarHBondContact O-N 3.26Å; E70-F333 HydrophobicContact CB-CE2 4.13Å; E70-F333 HydrophobicContact CB-CZ 4.21Å; E70-Y336 HydrophobicContact CB-CE1 4.27Å; E70-Y336 PolarHBondContact OE2-OH 2.99Å; E70-F337 HydrophobicContact CB-CD2 4.07Å; E70-F337 HydrophobicContact CB-CE2 4.16Å; E70-F337 HydrophobicContact CG-CD2 4.32Å; E70-F337 HydrophobicContact CG-CE2 4.06Å; E70-L340 HydrophobicContact CG-CD1 4.08Å; E70-N345 PolarHBondContact OE1-ND2 2.85Å; E70-N348 VanDerWaalsContact OE1-CB 3.22Å; E70-N348 WeakPolarHBondContact OE1-CB 3.47Å; E70-N348 PolarHBondContact OE1-ND2 3.15Å
71	A	97.9	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-34.2	174.1	0	0	0	0	0	112.9	Q67 R68 L69 A75 F333 I390 V393 V394	Q67-A71 WeakPolarHBondContact O-CB 3.02Å; Q67-A71 PolarHBondContact O-N 3.17Å; R68-A71 PolarHBondContact O-N 2.84Å; L69-A71 VanDerWaalsContact C-N 3.27Å; L69-A71 PolarHBondContact O-N 2.72Å; A71-A75 WeakPolarHBondContact O-CB 3.23Å; A71-A75 PolarHBondContact O-N 3.25Å; A71-F333 VanDerWaalsContact CA-CE2 3.46Å; A71-F333 HydrophobicContact CB-CD2 4.14Å; A71-F333 HydrophobicContact CB-CE2 3.81Å; A71-F333 HydrophobicContact CB-CZ 4.15Å; A71-I390 HydrophobicContact CB-CD1 3.71Å; A71-I390 HydrophobicContact CB-CG2 3.98Å; A71-V393 HydrophobicContact CB-CB 4.36Å; A71-V393 HydrophobicContact CB-CG1 4.17Å; A71-V394 HydrophobicContact CB-CG2 4.45Å
72	M	98.1	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.6	-43.7	170.2	175.6	170.1	178.8	0	0	111.2	L41 F45 R68 L69 A75 I76 V93 I95 I146 V393 V397	L41-M72 HydrophobicContact CB-CE 3.91Å; F45-M72 HydrophobicContact CE2-CB 4.21Å; F45-M72 HydrophobicContact CE2-SD 3.66Å; F45-M72 HydrophobicContact CZ-CB 3.71Å; F45-M72 HydrophobicContact CZ-CG 4.32Å; F45-M72 HydrophobicContact CZ-SD 3.67Å; R68-M72 PolarHBondContact O-N 2.74Å; R68-M72 VanDerWaalsContact O-N 3.15Å; L69-M72 PolarHBondContact O-N 2.68Å; M72-A75 PolarHBondContact O-N 3.14Å; M72-I76 VanDerWaalsContact O-CG1 3.25Å; M72-I76 WeakPolarHBondContact O-CG1 3.43Å; M72-I76 PolarHBondContact O-N 3.09Å; M72-V93 HydrophobicContact CE-CB 4.34Å; M72-V93 HydrophobicContact CE-CG1 3.75Å; M72-I95 HydrophobicContact CG-CD1 4.43Å; M72-I95 HydrophobicContact SD-CD1 4.2Å; M72-I95 HydrophobicContact SD-CG1 4.45Å; M72-I146 HydrophobicContact CE-CB 4.22Å; M72-I146 HydrophobicContact CE-CG1 4.09Å; M72-I146 HydrophobicContact SD-CB 4.01Å; M72-I146 HydrophobicContact SD-CG1 4.4Å; M72-I146 HydrophobicContact SD-CG2 4.32Å; M72-V393 HydrophobicContact CB-CG1 4.17Å; M72-V397 HydrophobicContact CB-CG2 4.27Å; M72-V397 HydrophobicContact CG-CG2 3.88Å
73	L	98.1	Very high	95.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-42.7	177.5	-64.5	177.1	0	0	0	112	I33 I35 L69 E70 I76 D77 V93 I95 R347	I33-L73 HydrophobicContact CD1-CD1 4.07Å; I35-L73 HydrophobicContact CD1-CD2 3.99Å; L69-L73 HydrophobicContact CD2-CD1 3.67Å; L69-L73 HydrophobicContact CD2-CG 4.42Å; L69-L73 PolarHBondContact O-N 3.16Å; L69-L73 VanDerWaalsContact O-N 3.14Å; E70-L73 PolarHBondContact O-N 3.09Å; L73-I76 PolarHBondContact O-N 3.46Å; L73-D77 PolarHBondContact O-N 3.4Å; L73-V93 HydrophobicContact CD2-CG2 3.68Å; L73-I95 HydrophobicContact CD2-CD1 3.67Å; L73-I95 HydrophobicContact CG-CD1 3.93Å; L73-R347 HydrophobicContact CD1-CG 4.38Å
74	F	97.9	Very high	96.1	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-49.4	171.9	166.2	-102.9	0	0	0	112.1	E70 I76 D77 E78 Q332 F333 Y336 V394 F444	E70-F74 VanDerWaalsContact O-CB 3.23Å; E70-F74 WeakPolarHBondContact O-CB 3.44Å; E70-F74 PolarHBondContact O-N 3.26Å; F74-I76 VanDerWaalsContact C-N 3.31Å; F74-I76 PolarHBondContact O-N 2.82Å; F74-D77 PolarHBondContact O-N 3.17Å; F74-E78 HydrophobicContact CD2-CG 4.1Å; F74-E78 HydrophobicContact CE1-CG 4.35Å; F74-E78 HydrophobicContact CE2-CG 3.57Å; F74-E78 HydrophobicContact CZ-CG 3.7Å; F74-E78 WeakPolarHBondContact O-CG 3.47Å; F74-E78 PolarHBondContact O-N 3.42Å; F74-Q332 HydrophobicContact CE2-CB 4.31Å; F74-Q332 HydrophobicContact CZ-CB 3.65Å; F74-F333 HydrophobicContact CB-CD2 4.02Å; F74-F333 HydrophobicContact CB-CE2 4.35Å; F74-F333 HydrophobicContact CD1-CB 4.37Å; F74-F333 HydrophobicContact CD1-CD2 4.01Å; F74-F333 HydrophobicContact CE1-CB 4.38Å; F74-F333 AromaticContact CG-CD2 4Å; F74-F333 HydrophobicContact CG-CD2 4Å; F74-Y336 HydrophobicContact CB-CD1 3.77Å; F74-Y336 HydrophobicContact CB-CE1 3.85Å; F74-Y336 HydrophobicContact CB-CG 4.36Å; F74-Y336 AromaticContact CD2-CD1 3.94Å; F74-Y336 HydrophobicContact CD2-CD1 3.94Å; F74-Y336 HydrophobicContact CD2-CD2 4.23Å; F74-Y336 AromaticContact CD2-CG 3.71Å; F74-Y336 HydrophobicContact CD2-CG 3.71Å; F74-Y336 HydrophobicContact CG-CD1 4.1Å; F74-Y336 HydrophobicContact CG-CG 4.34Å; F74-V394 HydrophobicContact CD1-CG2 4.5Å; F74-F444 HydrophobicContact CE1-CD2 4.26Å; F74-F444 AromaticContact CE1-CE2 3.71Å; F74-F444 HydrophobicContact CE1-CE2 3.71Å; F74-F444 HydrophobicContact CE1-CZ 4.07Å; F74-F444 HydrophobicContact CZ-CE1 4.41Å; F74-F444 HydrophobicContact CZ-CE2 4.01Å; F74-F444 AromaticContact CZ-CZ 3.9Å; F74-F444 HydrophobicContact CZ-CZ 3.9Å
75	A	98	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-40	178.9	0	0	0	0	0	112	A71 M72 E78 I79 V394 V397 Y398	A71-A75 WeakPolarHBondContact O-CB 3.23Å; A71-A75 PolarHBondContact O-N 3.25Å; M72-A75 PolarHBondContact O-N 3.14Å; A75-E78 PolarHBondContact O-N 3.06Å; A75-I79 WeakPolarHBondContact O-CB 3.41Å; A75-I79 WeakPolarHBondContact O-CD1 3.38Å; A75-I79 WeakPolarHBondContact O-CG1 3.23Å; A75-I79 PolarHBondContact O-N 3.3Å; A75-V394 HydrophobicContact CB-CG1 4.23Å; A75-V394 HydrophobicContact CB-CG2 4.47Å; A75-V397 HydrophobicContact CB-CB 3.88Å; A75-V397 HydrophobicContact CB-CG1 3.87Å; A75-V397 HydrophobicContact CB-CG2 4.17Å; A75-Y398 HydrophobicContact CB-CD2 4.36Å; A75-Y398 HydrophobicContact CB-CE2 4.14Å
76	I	98	Very high	96.4	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-40.6	175.2	-68	-75	0	0	0	111.6	L41 M72 L73 F74 E78 N80 L91 V93 V397	L41-I76 HydrophobicContact CD1-CD1 4.16Å; M72-I76 VanDerWaalsContact O-CG1 3.25Å; M72-I76 WeakPolarHBondContact O-CG1 3.43Å; M72-I76 PolarHBondContact O-N 3.09Å; L73-I76 PolarHBondContact O-N 3.46Å; F74-I76 VanDerWaalsContact C-N 3.31Å; F74-I76 PolarHBondContact O-N 2.82Å; I76-E78 VanDerWaalsContact C-N 3.35Å; I76-E78 PolarHBondContact O-N 3.5Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.38Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.21Å; I76-N80 VanDerWaalsContact O-CG 3.27Å; I76-N80 PolarHBondContact O-N 2.73Å; I76-N80 PolarHBondContact O-ND2 2.77Å; I76-N80 VanDerWaalsContact O-ND2 3.08Å; I76-L91 HydrophobicContact CD1-CB 3.83Å; I76-L91 HydrophobicContact CD1-CD1 3.86Å; I76-L91 HydrophobicContact CG2-CB 4.37Å; I76-V93 HydrophobicContact CB-CG1 4.45Å; I76-V93 HydrophobicContact CD1-CG1 4.05Å; I76-V93 HydrophobicContact CG1-CG1 3.71Å; I76-V93 HydrophobicContact CG2-CG1 4.31Å; I76-V397 HydrophobicContact CD1-CG1 3.71Å; I76-V397 HydrophobicContact CG1-CG1 3.95Å
77	D	97.3	Very high	96.3	Very high	44 Å²	44	34.8 Å²	34.8	24%	0.235	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-40.3	175.7	-68.3	-29.8	0	0	0	112	L73 F74 K81 R347	L73-D77 PolarHBondContact O-N 3.4Å; F74-D77 PolarHBondContact O-N 3.17Å; D77-K81 VanDerWaalsContact O-CD 3.29Å; D77-K81 WeakPolarHBondContact O-CD 3.5Å; D77-K81 WeakPolarHBondContact O-CE 3.22Å; D77-K81 VanDerWaalsContact O-CG 3.25Å; D77-K81 WeakPolarHBondContact O-CG 3.22Å; D77-R347 IonicContact OD1-CZ 3.79Å; D77-R347 IonicContact OD1-NH1 2.82Å; D77-R347 PolarHBondContact OD1-NH1 3.11Å; D77-R347 IonicContact OD2-CZ 3.88Å; D77-R347 IonicContact OD2-NH1 3.8Å; D77-R347 PolarHBondContact OD2-NH1 3.19Å; D77-R347 IonicContact OD2-NH2 2.82Å; D77-R347 PolarHBondContact OD2-NH2 2.96Å
78	E	97.4	Very high	95.9	Very high	56 Å²	56	37.1 Å²	37.1	26%	0.262	19%	0.191	S	C	.	.	H	α-helix	trans	-73.1	-40.4	179	-64.3	-64.6	91.8	0	0	112	F74 A75 I76 N80 K81 D82 F444	F74-E78 HydrophobicContact CD2-CG 4.1Å; F74-E78 HydrophobicContact CE1-CG 4.35Å; F74-E78 HydrophobicContact CE2-CG 3.57Å; F74-E78 HydrophobicContact CZ-CG 3.7Å; F74-E78 WeakPolarHBondContact O-CG 3.47Å; F74-E78 PolarHBondContact O-N 3.42Å; A75-E78 PolarHBondContact O-N 3.06Å; I76-E78 VanDerWaalsContact C-N 3.35Å; I76-E78 PolarHBondContact O-N 3.5Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.26Å; E78-K81 PolarHBondContact O-N 3.07Å; E78-K81 VanDerWaalsContact O-N 3.09Å; E78-K81 IonicContact OE1-NZ 2.67Å; E78-K81 PolarHBondContact OE1-NZ 3.16Å; E78-D82 PolarHBondContact O-N 3.23Å; E78-F444 HydrophobicContact CB-CZ 4.1Å; E78-F444 HydrophobicContact CG-CZ 3.97Å
79	I	97.4	Very high	95.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-39.3	175	-65.7	163.5	0	0	0	110.8	A75 K81 D82 L85 L91 V397 Y398 A401	A75-I79 WeakPolarHBondContact O-CB 3.41Å; A75-I79 WeakPolarHBondContact O-CD1 3.38Å; A75-I79 WeakPolarHBondContact O-CG1 3.23Å; A75-I79 PolarHBondContact O-N 3.3Å; I79-K81 PolarHBondContact O-N 3.15Å; I79-K81 VanDerWaalsContact O-N 3.08Å; I79-D82 WeakPolarHBondContact O-CB 3.38Å; I79-D82 PolarHBondContact O-N 3.24Å; I79-L85 HydrophobicContact CG1-CD2 4.21Å; I79-L85 HydrophobicContact CG2-CD2 4.19Å; I79-L85 HydrophobicContact CG2-CG 4.26Å; I79-L91 HydrophobicContact CG2-CD1 3.97Å; I79-V397 HydrophobicContact CD1-CG1 3.77Å; I79-Y398 HydrophobicContact CD1-CD1 4.25Å; I79-Y398 HydrophobicContact CD1-CD2 3.82Å; I79-Y398 HydrophobicContact CD1-CE1 4.25Å; I79-Y398 HydrophobicContact CD1-CE2 3.85Å; I79-Y398 HydrophobicContact CD1-CG 4.04Å; I79-Y398 HydrophobicContact CG1-CD1 4.2Å; I79-Y398 HydrophobicContact CG1-CD2 4.24Å; I79-Y398 HydrophobicContact CG1-CE1 3.74Å; I79-Y398 HydrophobicContact CG1-CE2 3.8Å; I79-Y398 HydrophobicContact CG1-CG 4.44Å; I79-A401 HydrophobicContact CD1-CB 3.84Å; I79-A401 HydrophobicContact CG2-CB 4.21Å
80	N	97.2	Very high	95.6	Very high	58 Å²	58	42 Å²	42	31%	0.31	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-1.8	175	-76.5	-36.7	0	0	0	114.3	I76 E78 K90 L91	I76-N80 WeakPolarHBondContact CG2-ND2 3.38Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.21Å; I76-N80 VanDerWaalsContact O-CG 3.27Å; I76-N80 PolarHBondContact O-N 2.73Å; I76-N80 PolarHBondContact O-ND2 2.77Å; I76-N80 VanDerWaalsContact O-ND2 3.08Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.26Å; N80-K90 WeakPolarHBondContact OD1-CA 3.3Å; N80-L91 PolarHBondContact ND2-O 3.33Å; N80-L91 PolarHBondContact OD1-N 3.17Å
81	K	96.1	Very high	95.5	Very high	135 Å²	135	42 Å²	42	59%	0.587	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	0.3	172	-61.4	160.7	-160.5	161.5	0	112.6	D77 E78 I79	D77-K81 VanDerWaalsContact O-CD 3.29Å; D77-K81 WeakPolarHBondContact O-CD 3.5Å; D77-K81 WeakPolarHBondContact O-CE 3.22Å; D77-K81 VanDerWaalsContact O-CG 3.25Å; D77-K81 WeakPolarHBondContact O-CG 3.22Å; E78-K81 PolarHBondContact O-N 3.07Å; E78-K81 VanDerWaalsContact O-N 3.09Å; E78-K81 IonicContact OE1-NZ 2.67Å; E78-K81 PolarHBondContact OE1-NZ 3.16Å; I79-K81 PolarHBondContact O-N 3.15Å; I79-K81 VanDerWaalsContact O-N 3.08Å
82	D	94.4	Very high	95.5	Very high	56 Å²	56	42 Å²	42	30%	0.299	21%	0.213	S	C	.	.			trans	-90.5	108.9	-174.1	-170.2	-29.9	0	0	0	110.8	E78 I79 Y84 L85	E78-D82 PolarHBondContact O-N 3.23Å; I79-D82 WeakPolarHBondContact O-CB 3.38Å; I79-D82 PolarHBondContact O-N 3.24Å; D82-Y84 PolarHBondContact O-N 3.06Å; D82-Y84 VanDerWaalsContact O-N 3.13Å; D82-Y84 WeakPolarHBondContact OD1-CA 3.49Å; D82-Y84 VanDerWaalsContact OD1-CB 3.32Å; D82-Y84 WeakPolarHBondContact OD1-CB 3.13Å; D82-Y84 PolarHBondContact OD1-N 2.61Å; D82-L85 HydrophobicContact CB-CB 4.1Å; D82-L85 PolarHBondContact OD1-N 3.18Å; D82-L85 WeakPolarHBondContact OD2-CB 3.46Å
83	D	92.8	Very high	95.4	Very high	158 Å²	158	42 Å²	42	85%	0.845	21%	0.213	S	C	*	.	S	Bend	trans	-67.5	-5.9	177.6	-71.1	-49.7	0	0	0	114	P87	D83-P87 WeakPolarHBondContact O-CB 3.49Å
84	Y	92.8	Very high	95.3	Very high	174 Å²	174	42.2 Å²	42.2	68%	0.682	21%	0.214	S	C	*	.	S	Bend	trans	-107.5	-39.4	178.2	-178.9	-98.5	0	0	0	112.9	D82 P87 H405	D82-Y84 PolarHBondContact O-N 3.06Å; D82-Y84 VanDerWaalsContact O-N 3.13Å; D82-Y84 WeakPolarHBondContact OD1-CA 3.49Å; D82-Y84 VanDerWaalsContact OD1-CB 3.32Å; D82-Y84 WeakPolarHBondContact OD1-CB 3.13Å; D82-Y84 PolarHBondContact OD1-N 2.61Å; Y84-P87 WeakPolarHBondContact O-CD 3.47Å; Y84-H405 PolarHBondContact O-CE1 3.13Å; Y84-H405 VanDerWaalsContact O-CE1 3.24Å
85	L	94.4	Very high	95.2	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	21%	0.212	C	C	.	.	S	Bend	trans	-96	111.8	-177.6	-173.8	58.2	0	0	0	112.1	I79 D82 Y398 A401 H402 H405	I79-L85 HydrophobicContact CG1-CD2 4.21Å; I79-L85 HydrophobicContact CG2-CD2 4.19Å; I79-L85 HydrophobicContact CG2-CG 4.26Å; D82-L85 HydrophobicContact CB-CB 4.1Å; D82-L85 PolarHBondContact OD1-N 3.18Å; D82-L85 WeakPolarHBondContact OD2-CB 3.46Å; L85-Y398 HydrophobicContact CD2-CD1 3.91Å; L85-Y398 HydrophobicContact CD2-CE1 4.04Å; L85-A401 HydrophobicContact CD2-CB 4.06Å; L85-A401 HydrophobicContact CG-CB 4.37Å; L85-H402 WeakPolarHBondContact CD1-ND1 3.49Å; L85-H405 HydrophobicContact CD1-CB 3.78Å
86	L	93.6	Very high	95.1	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	56.2	41.9	-173.5	-65.5	168.1	0	0	0	115	G88 V89 L91 A401 L404 H405	L86-G88 PolarHBondContact O-N 2.94Å; L86-G88 VanDerWaalsContact O-N 3.15Å; L86-V89 HydrophobicContact CB-CB 4.38Å; L86-V89 PolarHBondContact O-N 3.03Å; L86-V89 VanDerWaalsContact O-O 3.11Å; L86-L91 HydrophobicContact CD1-CD1 3.83Å; L86-L91 HydrophobicContact CD1-CD2 3.81Å; L86-L91 HydrophobicContact CD1-CG 3.86Å; L86-A401 HydrophobicContact CD1-CB 4.06Å; L86-L404 HydrophobicContact CD1-CB 4.46Å; L86-L404 HydrophobicContact CD2-CB 4.23Å; L86-H405 HydrophobicContact CD2-CB 3.93Å; L86-H405 HydrophobicContact CG-CB 4.1Å; L86-H405 PolarHBondContact N-ND1 3.43Å
87	P	92.4	Very high	94.9	Very high	21 Å²	21	42 Å²	42	14%	0.136	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	121.1	-174.5	28.3	-33.7	0	0	0	110.5	D83 Y84 T416	D83-P87 WeakPolarHBondContact O-CB 3.49Å; Y84-P87 WeakPolarHBondContact O-CD 3.47Å; P87-T416 CarbonylContact O-C 3.46Å; P87-T416 VanDerWaalsContact O-CB 3.27Å; P87-T416 WeakPolarHBondContact O-CB 3.12Å
88	G	88.9	Confident	94.8	Very high	50 Å²	50	40 Å²	40	52%	0.515	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	9	-175.7	0	0	0	0	0	115.4	L86 T416	L86-G88 PolarHBondContact O-N 2.94Å; L86-G88 VanDerWaalsContact O-N 3.15Å; G88-T416 CarbonylContact C-O 3.59Å
89	V	92.6	Very high	94.4	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	19%	0.189	C	C	.	.			trans	-130.6	115.5	172.4	175.2	0	0	0	0	109	D38 L39 L86 Q408 L418	D38-V89 HydrophobicContact CB-CG1 3.96Å; L39-V89 HydrophobicContact CD1-CG1 4.28Å; L39-V89 HydrophobicContact CG-CG1 4.3Å; L86-V89 HydrophobicContact CB-CB 4.38Å; L86-V89 PolarHBondContact O-N 3.03Å; L86-V89 VanDerWaalsContact O-O 3.11Å; V89-Q408 VanDerWaalsContact CG2-NE2 3.34Å; V89-L418 HydrophobicContact CG1-CD2 3.88Å; V89-L418 HydrophobicContact CG1-CG 4.15Å; V89-L418 HydrophobicContact CG2-CD2 3.84Å; V89-L418 HydrophobicContact CG2-CG 4.01Å
90	K	94.8	Very high	94	Very high	98 Å²	98	37.3 Å²	37.3	43%	0.426	19%	0.19	S	C	.	.			trans	-85.4	128.8	179.2	-172.2	-168.8	175.8	-151.8	0	110.9	E36 G37 D38 L39 N80	E36-K90 WeakPolarHBondContact O-CE 3.27Å; E36-K90 PolarHBondContact O-NZ 2.8Å; G37-K90 CarbonylContact C-O 3.5Å; G37-K90 WeakPolarHBondContact CA-O 3.4Å; D38-K90 PolarHBondContact N-O 3.06Å; D38-K90 PolarHBondContact OD2-N 2.93Å; L39-K90 PolarHBondContact N-O 2.97Å; N80-K90 WeakPolarHBondContact OD1-CA 3.3Å
91	L	96.3	Very high	93.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.3	168.6	-64.7	-175.7	0	0	0	111.2	L39 I76 I79 N80 L86 A401 L404	L39-L91 HydrophobicContact CB-CD2 4.03Å; L39-L91 WeakPolarHBondContact O-CA 3.47Å; I76-L91 HydrophobicContact CD1-CB 3.83Å; I76-L91 HydrophobicContact CD1-CD1 3.86Å; I76-L91 HydrophobicContact CG2-CB 4.37Å; I79-L91 HydrophobicContact CG2-CD1 3.97Å; N80-L91 PolarHBondContact ND2-O 3.33Å; N80-L91 PolarHBondContact OD1-N 3.17Å; L86-L91 HydrophobicContact CD1-CD1 3.83Å; L86-L91 HydrophobicContact CD1-CD2 3.81Å; L86-L91 HydrophobicContact CD1-CG 3.86Å; L91-A401 HydrophobicContact CD1-CB 4.11Å; L91-L404 HydrophobicContact CD2-CD1 4.27Å
92	G	96.3	Very high	93.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	174.7	166.6	0	0	0	0	0	112.1	I35 L39 V40 L41	I35-G92 CarbonylContact O-C 3.43Å; I35-G92 WeakPolarHBondContact O-CA 3.32Å; L39-G92 PolarHBondContact O-N 2.81Å; V40-G92 WeakPolarHBondContact CA-O 3.43Å; L41-G92 PolarHBondContact N-O 2.79Å
93	V	96.3	Very high	92.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.9	177	-63.7	0	0	0	0	113.5	K34 I35 L41 M72 L73 I76 I95	K34-V93 WeakPolarHBondContact CA-O 3.33Å; I35-V93 HydrophobicContact CB-CG2 3.9Å; I35-V93 HydrophobicContact CD1-CG2 3.9Å; I35-V93 HydrophobicContact CG1-CG2 4.06Å; I35-V93 PolarHBondContact N-O 3.08Å; I35-V93 PolarHBondContact O-N 2.8Å; L41-V93 CarbonylContact O-C 3.56Å; L41-V93 VanDerWaalsContact O-CA 3.26Å; L41-V93 WeakPolarHBondContact O-CA 3.47Å; M72-V93 HydrophobicContact CE-CB 4.34Å; M72-V93 HydrophobicContact CE-CG1 3.75Å; L73-V93 HydrophobicContact CD2-CG2 3.68Å; I76-V93 HydrophobicContact CB-CG1 4.45Å; I76-V93 HydrophobicContact CD1-CG1 4.05Å; I76-V93 HydrophobicContact CG1-CG1 3.71Å; I76-V93 HydrophobicContact CG2-CG1 4.31Å; V93-I95 HydrophobicContact CB-CG1 4.2Å; V93-I95 HydrophobicContact CG2-CD1 4.3Å; V93-I95 HydrophobicContact CG2-CG1 4.22Å
94	H	95.6	Very high	92.7	Very high	5 Å²	5	28 Å²	28	2%	0.023	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	104.1	165.9	-173.6	-171.4	0	0	0	109.2	E32 I33 K34 V40 L41 G42 G43 F112 I142	E32-H94 IonicContact OE2-CD2 3.64Å; E32-H94 IonicContact OE2-CE1 2.81Å; E32-H94 IonicContact OE2-NE2 3.23Å; E32-H94 PolarHBondContact OE2-NE2 3.01Å; I33-H94 CarbonylContact O-C 3.6Å; I33-H94 VanDerWaalsContact O-CA 3.24Å; I33-H94 WeakPolarHBondContact O-CA 3.31Å; K34-H94 WeakPolarHBondContact CE-NE2 3.43Å; V40-H94 HydrophobicContact CG1-CB 4.09Å; L41-H94 PolarHBondContact O-N 3.35Å; G42-H94 CarbonylContact C-O 3.52Å; G42-H94 VanDerWaalsContact CA-O 3.31Å; G42-H94 WeakPolarHBondContact CA-O 3.47Å; G43-H94 PolarHBondContact N-O 3.13Å; H94-F112 HydrophobicContact CB-CE1 4.27Å; H94-F112 AromaticContact ND1-CD1 3.83Å; H94-F112 AromaticContact ND1-CE1 3.97Å; H94-F112 WeakPolarHBondContact O-CE1 3.43Å; H94-I142 HydrophobicContact CB-CD1 3.87Å
95	I	96.4	Very high	92.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.8	-175.1	-50.9	-176.5	0	0	0	111.2	E32 I33 G43 F45 L69 M72 L73 V93	E32-I95 WeakPolarHBondContact CA-O 3.47Å; I33-I95 HydrophobicContact CB-CB 4.12Å; I33-I95 PolarHBondContact N-O 2.81Å; I33-I95 PolarHBondContact O-N 3.38Å; G43-I95 WeakPolarHBondContact O-CA 3.17Å; F45-I95 HydrophobicContact CD2-CG2 3.56Å; F45-I95 HydrophobicContact CE2-CD1 4.37Å; F45-I95 HydrophobicContact CE2-CG2 3.88Å; L69-I95 HydrophobicContact CD1-CG2 3.88Å; L69-I95 HydrophobicContact CG-CD1 4.26Å; L69-I95 HydrophobicContact CG-CG2 4.17Å; M72-I95 HydrophobicContact CG-CD1 4.43Å; M72-I95 HydrophobicContact SD-CD1 4.2Å; M72-I95 HydrophobicContact SD-CG1 4.45Å; L73-I95 HydrophobicContact CD2-CD1 3.67Å; L73-I95 HydrophobicContact CG-CD1 3.93Å; V93-I95 HydrophobicContact CB-CG1 4.2Å; V93-I95 HydrophobicContact CG2-CD1 4.3Å; V93-I95 HydrophobicContact CG2-CG1 4.22Å
96	L	95.3	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.5	-179.3	-61.2	172.6	0	0	0	111	E32 G43 L44 F45 Q108 E111 F112	E32-L96 HydrophobicContact CB-CD2 3.56Å; G43-L96 PolarHBondContact O-N 2.99Å; L44-L96 HydrophobicContact CD2-CB 4.15Å; F45-L96 PolarHBondContact N-O 3.15Å; L96-Q108 HydrophobicContact CB-CB 4.21Å; L96-Q108 HydrophobicContact CD1-CB 4.13Å; L96-Q108 WeakPolarHBondContact CD1-O 3.45Å; L96-E111 HydrophobicContact CD1-CB 4.17Å; L96-F112 HydrophobicContact CB-CZ 4.49Å; L96-F112 HydrophobicContact CD1-CD1 4.23Å; L96-F112 HydrophobicContact CD1-CE1 3.65Å; L96-F112 HydrophobicContact CD1-CE2 4.5Å; L96-F112 HydrophobicContact CD1-CZ 3.81Å; L96-F112 HydrophobicContact CG-CE1 4.13Å; L96-F112 HydrophobicContact CG-CZ 4.22Å
97	D	95.1	Very high	92.5	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.043	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	154.7	172.6	-160.3	-7.1	0	0	0	111.1	F45 I47 N48 C99 Q108 W350	F45-D97 CarbonylContact O-C 3.46Å; I47-D97 HydrophobicContact CB-CB 4.31Å; I47-D97 WeakPolarHBondContact CB-OD1 3.35Å; I47-D97 HydrophobicContact CD1-CB 3.9Å; I47-D97 HydrophobicContact CG1-CB 4.18Å; I47-D97 PolarHBondContact N-OD1 2.95Å; N48-D97 PolarHBondContact N-OD1 3.41Å; N48-D97 PolarHBondContact N-OD2 3.08Å; N48-D97 PolarHBondContact ND2-OD2 3.48Å; D97-C99 VanDerWaalsContact CG-SG 3.57Å; D97-C99 PolarHBondContact OD1-N 2.81Å; D97-C99 PolarHBondContact OD2-SG 3.42Å; D97-Q108 VanDerWaalsContact O-CG 3.32Å; D97-Q108 WeakPolarHBondContact O-CG 3.41Å; D97-W350 HydrophobicContact CB-CZ2 4.24Å
98	T	94	Very high	92.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.			trans	-112.6	-10.7	170.9	57.9	0	0	0	0	112.3	L44 F45 P46 S100 R101 A105 V153	L44-T98 HydrophobicContact CB-CG2 3.84Å; L44-T98 HydrophobicContact CD2-CG2 4.02Å; L44-T98 HydrophobicContact CG-CG2 4.41Å; F45-T98 PolarHBondContact O-N 3.48Å; F45-T98 PolarHBondContact O-OG1 2.9Å; P46-T98 WeakPolarHBondContact CA-OG1 3.36Å; T98-S100 PolarHBondContact O-N 2.99Å; T98-R101 PolarHBondContact O-N 2.79Å; T98-R101 VanDerWaalsContact O-O 3.07Å; T98-A105 HydrophobicContact CG2-CB 3.73Å; T98-V153 HydrophobicContact CG2-CG1 4.11Å
99	C	90.6	Very high	92.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	30.7	-177	-62.4	0	0	0	0	114	N48 E49 K50 C57 D97 R101 Y104	N48-C99 CarbonylContact O-C 3.55Å; N48-C99 VanDerWaalsContact O-C 3.29Å; N48-C99 WeakPolarHBondContact O-CA 3.35Å; E49-C99 CarbonylContact C-O 3.47Å; K50-C99 WeakPolarHBondContact CA-O 3.4Å; C57-C99 HydrophobicContact CB-CB 3.71Å; C57-C99 WeakPolarHBondContact CB-SG 3.43Å; C57-C99 WeakPolarHBondContact SG-CB 3.48Å; C57-C99 CovalentContact SG-SG 2.03Å; C57-C99 PolarHBondContact SG-SG 2.83Å; D97-C99 VanDerWaalsContact CG-SG 3.57Å; D97-C99 PolarHBondContact OD1-N 2.81Å; D97-C99 PolarHBondContact OD2-SG 3.42Å; C99-R101 WeakPolarHBondContact O-CG 3.07Å; C99-R101 PolarHBondContact O-N 3.15Å; C99-Y104 HydrophobicContact CB-CD1 3.87Å; C99-Y104 HydrophobicContact CB-CE1 4.09Å; C99-Y104 HydrophobicContact CB-CG 4.36Å; C99-Y104 WeakPolarHBondContact SG-CE1 3.25Å
100	S	87.4	Confident	92.6	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	24.6	-173.3	-54.4	0	0	0	0	114.7	N48 T98	N48-S100 PolarHBondContact O-N 3.09Å; N48-S100 PolarHBondContact O-OG 3.37Å; N48-S100 VanDerWaalsContact O-OG 3.06Å; T98-S100 PolarHBondContact O-N 2.99Å
101	R	86.8	Confident	92.3	Very high	61 Å²	61	24 Å²	24	23%	0.23	12%	0.119	C	C	.	.			trans	-127.9	125	-174.9	-73.7	169.7	74	151.5	-1.4	111.3	K50 E55 E56 T98 C99 A105	K50-R101 HydrophobicContact CB-CG 4.47Å; K50-R101 HydrophobicContact CG-CG 3.94Å; E55-R101 PolarHBondContact O-NH1 3.23Å; E56-R101 WeakPolarHBondContact O-CD 3.12Å; E56-R101 PolarHBondContact O-NH1 3.34Å; T98-R101 PolarHBondContact O-N 2.79Å; T98-R101 VanDerWaalsContact O-O 3.07Å; C99-R101 WeakPolarHBondContact O-CG 3.07Å; C99-R101 PolarHBondContact O-N 3.15Å; R101-A105 WeakPolarHBondContact O-CB 3.37Å; R101-A105 PolarHBondContact O-N 3.05Å
102	D	88	Confident	92	Very high	24 Å²	24	24 Å²	24	13%	0.128	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-42.8	175	47.4	-15.8	0	0	0	113.8	L106 V153 Q156 R249	D102-L106 WeakPolarHBondContact O-CB 3.43Å; D102-L106 PolarHBondContact O-N 3.48Å; D102-L106 VanDerWaalsContact O-N 3.08Å; D102-V153 HydrophobicContact CB-CG2 4.27Å; D102-Q156 HydrophobicContact CB-CG 4.23Å; D102-R249 VanDerWaalsContact CG-NH2 3.31Å; D102-R249 IonicContact OD1-CZ 3.62Å; D102-R249 IonicContact OD1-NH1 2.81Å; D102-R249 PolarHBondContact OD1-NH1 3.14Å; D102-R249 IonicContact OD1-NH2 2.68Å; D102-R249 PolarHBondContact OD1-NH2 2.77Å; D102-R249 IonicContact OD2-CZ 3.54Å; D102-R249 IonicContact OD2-NH1 3.72Å; D102-R249 PolarHBondContact OD2-NH1 2.9Å; D102-R249 IonicContact OD2-NH2 3.69Å; D102-R249 PolarHBondContact OD2-NH2 3.49Å
103	T	89.1	Confident	91.7	Very high	88 Å²	88	24 Å²	24	54%	0.54	12%	0.119	S	C	.	.	H	α-helix	trans	-65.2	-43.4	177.2	64.3	0	0	0	0	112.1	L106 E107	T103-L106 PolarHBondContact O-N 3.36Å; T103-E107 PolarHBondContact O-N 2.86Å
104	Y	90.6	Very high	91.1	Very high	38 Å²	38	29.8 Å²	29.8	15%	0.149	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-45.2	179.8	-175.3	-93.1	0	0	0	111.1	E56 C99 L106 E107 Q108	E56-Y104 HydrophobicContact CB-CD2 4.44Å; E56-Y104 HydrophobicContact CB-CE2 4.43Å; E56-Y104 WeakPolarHBondContact OE2-CE2 3.38Å; C99-Y104 HydrophobicContact CB-CD1 3.87Å; C99-Y104 HydrophobicContact CB-CE1 4.09Å; C99-Y104 HydrophobicContact CB-CG 4.36Å; C99-Y104 WeakPolarHBondContact SG-CE1 3.25Å; Y104-L106 VanDerWaalsContact C-N 3.28Å; Y104-L106 PolarHBondContact O-N 3.36Å; Y104-E107 WeakPolarHBondContact O-CB 3.35Å; Y104-E107 PolarHBondContact O-N 3.4Å; Y104-E107 VanDerWaalsContact O-N 3.15Å; Y104-Q108 HydrophobicContact CD1-CG 3.77Å; Y104-Q108 HydrophobicContact CE1-CG 3.48Å; Y104-Q108 VanDerWaalsContact CE1-CG 3.48Å; Y104-Q108 WeakPolarHBondContact O-CG 3.49Å; Y104-Q108 PolarHBondContact O-N 3.3Å
105	A	92.8	Very high	89.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-33.7	177.2	0	0	0	0	0	113.3	T98 R101 S109 V153 V157	T98-A105 HydrophobicContact CG2-CB 3.73Å; R101-A105 WeakPolarHBondContact O-CB 3.37Å; R101-A105 PolarHBondContact O-N 3.05Å; A105-S109 WeakPolarHBondContact O-CB 3.47Å; A105-S109 PolarHBondContact O-N 3Å; A105-S109 PolarHBondContact O-OG 2.84Å; A105-V153 HydrophobicContact CB-CB 4.45Å; A105-V153 HydrophobicContact CB-CG1 3.51Å; A105-V153 HydrophobicContact CB-CG2 4.27Å; A105-V157 HydrophobicContact CB-CG2 4.49Å
106	L	92.6	Very high	88.8	Confident	53 Å²	53	31.9 Å²	31.9	28%	0.277	16%	0.157	S	C	.	.	H	α-helix	trans	-64.4	-45.4	173	177.6	60.5	0	0	0	111.3	D102 T103 Y104 S109 L110 Q156 L160	D102-L106 WeakPolarHBondContact O-CB 3.43Å; D102-L106 PolarHBondContact O-N 3.48Å; D102-L106 VanDerWaalsContact O-N 3.08Å; T103-L106 PolarHBondContact O-N 3.36Å; Y104-L106 VanDerWaalsContact C-N 3.28Å; Y104-L106 PolarHBondContact O-N 3.36Å; L106-S109 PolarHBondContact O-N 3Å; L106-L110 PolarHBondContact O-N 2.99Å; L106-Q156 HydrophobicContact CB-CB 4.46Å; L106-L160 HydrophobicContact CD1-CB 3.88Å; L106-L160 HydrophobicContact CD1-CD2 4.07Å
107	E	91.1	Very high	87.8	Confident	101 Å²	101	36.3 Å²	36.3	47%	0.472	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-41	175	-175.6	-171.7	170.1	0	0	112.5	R30 T103 Y104 S109 L110	R30-E107 PolarHBondContact NH2-O 3.38Å; T103-E107 PolarHBondContact O-N 2.86Å; Y104-E107 WeakPolarHBondContact O-CB 3.35Å; Y104-E107 PolarHBondContact O-N 3.4Å; Y104-E107 VanDerWaalsContact O-N 3.15Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 3.01Å; E107-L110 WeakPolarHBondContact O-CB 3.44Å; E107-L110 PolarHBondContact O-N 3.2Å
108	Q	90.6	Very high	86.5	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-39.8	173.6	-60.1	-37.3	-65.6	0	0	111.5	R30 L96 D97 Y104 L110 E111	R30-Q108 VanDerWaalsContact CZ-OE1 3.24Å; R30-Q108 VanDerWaalsContact NH2-CD 3.35Å; L96-Q108 HydrophobicContact CB-CB 4.21Å; L96-Q108 HydrophobicContact CD1-CB 4.13Å; L96-Q108 WeakPolarHBondContact CD1-O 3.45Å; D97-Q108 VanDerWaalsContact O-CG 3.32Å; D97-Q108 WeakPolarHBondContact O-CG 3.41Å; Y104-Q108 HydrophobicContact CD1-CG 3.77Å; Y104-Q108 HydrophobicContact CE1-CG 3.48Å; Y104-Q108 VanDerWaalsContact CE1-CG 3.48Å; Y104-Q108 WeakPolarHBondContact O-CG 3.49Å; Y104-Q108 PolarHBondContact O-N 3.3Å; Q108-L110 PolarHBondContact O-N 3.2Å; Q108-L110 VanDerWaalsContact O-N 3.13Å; Q108-E111 PolarHBondContact O-N 2.9Å; Q108-E111 VanDerWaalsContact O-N 3.13Å
109	S	92.9	Very high	84.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-12.4	-178.9	-59.3	0	0	0	0	114.4	A105 L106 E107 E111 F112 V157	A105-S109 WeakPolarHBondContact O-CB 3.47Å; A105-S109 PolarHBondContact O-N 3Å; A105-S109 PolarHBondContact O-OG 2.84Å; L106-S109 PolarHBondContact O-N 3Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 3.01Å; S109-E111 PolarHBondContact O-N 2.92Å; S109-F112 PolarHBondContact O-N 3.49Å; S109-V157 WeakPolarHBondContact OG-CG2 3.46Å
110	L	91.4	Very high	82.8	Confident	86 Å²	86	49.8 Å²	49.8	45%	0.45	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-27.3	171	-66.4	172	0	0	0	112.5	L106 E107 Q108 F112 V113 R114 L160	L106-L110 PolarHBondContact O-N 2.99Å; E107-L110 WeakPolarHBondContact O-CB 3.44Å; E107-L110 PolarHBondContact O-N 3.2Å; Q108-L110 PolarHBondContact O-N 3.2Å; Q108-L110 VanDerWaalsContact O-N 3.13Å; L110-F112 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 2.8Å; L110-V113 WeakPolarHBondContact O-CG2 3.41Å; L110-V113 PolarHBondContact O-N 2.79Å; L110-R114 PolarHBondContact O-N 3.06Å; L110-L160 HydrophobicContact CD2-CD1 4.1Å; L110-L160 HydrophobicContact CD2-CD2 3.92Å; L110-L160 HydrophobicContact CG-CD2 4.43Å
111	E	89.6	Confident	80.9	Confident	30 Å²	30	55.8 Å²	55.8	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-32.7	176.7	-65.6	-60	144.4	0	0	112.6	R30 L96 Q108 S109 V113 R114	R30-E111 IonicContact CZ-OE1 2.79Å; R30-E111 VanDerWaalsContact NH1-CD 3.25Å; R30-E111 VanDerWaalsContact NH1-CG 3.27Å; R30-E111 IonicContact NH1-OE1 2.79Å; R30-E111 PolarHBondContact NH1-OE1 2.97Å; L96-E111 HydrophobicContact CD1-CB 4.17Å; Q108-E111 PolarHBondContact O-N 2.9Å; Q108-E111 VanDerWaalsContact O-N 3.13Å; S109-E111 PolarHBondContact O-N 2.92Å; E111-V113 PolarHBondContact O-N 2.81Å; E111-R114 VanDerWaalsContact CD-NH1 3.29Å; E111-R114 VanDerWaalsContact O-CB 3.24Å; E111-R114 WeakPolarHBondContact O-CB 3.23Å; E111-R114 PolarHBondContact O-N 3.41Å; E111-R114 IonicContact OE1-NH1 3.39Å; E111-R114 PolarHBondContact OE1-NH1 3.14Å; E111-R114 WeakPolarHBondContact OE2-CD 3.43Å; E111-R114 IonicContact OE2-CZ 2.82Å; E111-R114 IonicContact OE2-NE 3.63Å; E111-R114 IonicContact OE2-NH1 3.62Å; E111-R114 PolarHBondContact OE2-NH1 2.91Å
112	F	90.6	Very high	79.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-24.6	178.1	-61.3	-32.2	0	0	0	113.5	L44 H94 L96 S109 L110 I142 V145	L44-F112 HydrophobicContact CD1-CE2 4.05Å; L44-F112 HydrophobicContact CD2-CE2 3.73Å; L44-F112 HydrophobicContact CD2-CZ 3.91Å; L44-F112 HydrophobicContact CG-CE2 3.72Å; L44-F112 HydrophobicContact CG-CZ 4.1Å; H94-F112 HydrophobicContact CB-CE1 4.27Å; H94-F112 AromaticContact ND1-CD1 3.83Å; H94-F112 AromaticContact ND1-CE1 3.97Å; H94-F112 WeakPolarHBondContact O-CE1 3.43Å; L96-F112 HydrophobicContact CB-CZ 4.49Å; L96-F112 HydrophobicContact CD1-CD1 4.23Å; L96-F112 HydrophobicContact CD1-CE1 3.65Å; L96-F112 HydrophobicContact CD1-CE2 4.5Å; L96-F112 HydrophobicContact CD1-CZ 3.81Å; L96-F112 HydrophobicContact CG-CE1 4.13Å; L96-F112 HydrophobicContact CG-CZ 4.22Å; S109-F112 PolarHBondContact O-N 3.49Å; L110-F112 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 2.8Å; F112-I142 HydrophobicContact CB-CB 4.41Å; F112-I142 HydrophobicContact CB-CG1 3.87Å; F112-I142 HydrophobicContact CD1-CD1 4.21Å; F112-I142 HydrophobicContact CD1-CG1 3.93Å; F112-I142 HydrophobicContact CG-CG1 4.22Å; F112-V145 HydrophobicContact CD2-CG1 4.37Å; F112-V145 HydrophobicContact CD2-CG2 3.75Å; F112-V145 HydrophobicContact CE2-CG1 3.91Å; F112-V145 HydrophobicContact CE2-CG2 4.06Å; F112-V145 HydrophobicContact CG-CG2 4.32Å
113	V	88.7	Confident	77.3	Confident	1 Å²	1	62 Å²	62	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-99.3	-4.7	178.9	-58.3	0	0	0	0	112.5	L110 E111 A115 S116 L117 L161 F164 I166	L110-V113 WeakPolarHBondContact O-CG2 3.41Å; L110-V113 PolarHBondContact O-N 2.79Å; E111-V113 PolarHBondContact O-N 2.81Å; V113-A115 VanDerWaalsContact C-N 3.32Å; V113-A115 PolarHBondContact O-N 3.2Å; V113-S116 WeakPolarHBondContact O-CA 3.39Å; V113-S116 WeakPolarHBondContact O-CB 3.4Å; V113-S116 PolarHBondContact O-N 2.81Å; V113-L117 HydrophobicContact CG2-CD1 4.2Å; V113-L117 PolarHBondContact O-N 2.7Å; V113-L117 VanDerWaalsContact O-N 3.1Å; V113-L161 HydrophobicContact CG1-CD2 4.26Å; V113-F164 HydrophobicContact CB-CD1 4.11Å; V113-F164 HydrophobicContact CB-CD2 3.74Å; V113-F164 HydrophobicContact CB-CE1 4.1Å; V113-F164 HydrophobicContact CB-CE2 3.74Å; V113-F164 HydrophobicContact CB-CG 3.92Å; V113-F164 HydrophobicContact CB-CZ 3.92Å; V113-F164 HydrophobicContact CG1-CB 4.11Å; V113-F164 HydrophobicContact CG1-CD1 4.36Å; V113-F164 HydrophobicContact CG1-CD2 3.32Å; V113-F164 HydrophobicContact CG1-CE2 3.76Å; V113-F164 HydrophobicContact CG1-CG 3.67Å; V113-F164 HydrophobicContact CG1-CZ 4.42Å; V113-F164 HydrophobicContact CG2-CD2 4.33Å; V113-F164 HydrophobicContact CG2-CE2 3.88Å; V113-F164 HydrophobicContact CG2-CZ 4.06Å; V113-I166 HydrophobicContact CG1-CD1 4Å
114	R	84.3	Confident	75.7	Confident	122 Å²	122	64.6 Å²	64.6	46%	0.46	33%	0.33	S	S	.	.	H	α-helix	trans	-58.4	-40.8	-177.7	-169.5	170.2	-175.7	158.7	3.6	112.7	L110 E111 S116 L117 T118 P139	L110-R114 PolarHBondContact O-N 3.06Å; E111-R114 VanDerWaalsContact CD-NH1 3.29Å; E111-R114 VanDerWaalsContact O-CB 3.24Å; E111-R114 WeakPolarHBondContact O-CB 3.23Å; E111-R114 PolarHBondContact O-N 3.41Å; E111-R114 IonicContact OE1-NH1 3.39Å; E111-R114 PolarHBondContact OE1-NH1 3.14Å; E111-R114 WeakPolarHBondContact OE2-CD 3.43Å; E111-R114 IonicContact OE2-CZ 2.82Å; E111-R114 IonicContact OE2-NE 3.63Å; E111-R114 IonicContact OE2-NH1 3.62Å; E111-R114 PolarHBondContact OE2-NH1 2.91Å; R114-S116 VanDerWaalsContact C-N 3.25Å; R114-S116 PolarHBondContact O-N 2.04Å; R114-L117 PolarHBondContact O-N 3.19Å; R114-L117 VanDerWaalsContact O-N 3.12Å; R114-T118 HydrophobicContact CG-CG2 4.39Å; R114-T118 PolarHBondContact O-N 2.88Å; R114-T118 PolarHBondContact O-OG1 3.35Å; R114-P139 HydrophobicContact CB-CB 4.47Å; R114-P139 HydrophobicContact CG-CB 4.37Å; R114-P139 HydrophobicContact CG-CG 4.33Å
115	A	71	Confident	74.3	Confident	6 Å²	6	70.9 Å²	70.9	5%	0.05	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-33.5	174.9	0	0	0	0	0	113.5	V113 P139 L140 L141	V113-A115 VanDerWaalsContact C-N 3.32Å; V113-A115 PolarHBondContact O-N 3.2Å; A115-P139 HydrophobicContact CB-CB 3.94Å; A115-P139 WeakPolarHBondContact CB-O 3.48Å; A115-L140 WeakPolarHBondContact CB-O 3.41Å; A115-L141 HydrophobicContact CB-CD1 4.4Å
116	S	73.2	Confident	72.9	Confident	43 Å²	43	76.4 Å²	76.4	30%	0.301	38%	0.382	S	S	.	.	H	α-helix	trans	-80.3	-22.1	177.9	-54.2	0	0	0	0	112.6	V113 R114	V113-S116 WeakPolarHBondContact O-CA 3.39Å; V113-S116 WeakPolarHBondContact O-CB 3.4Å; V113-S116 PolarHBondContact O-N 2.81Å; R114-S116 VanDerWaalsContact C-N 3.25Å; R114-S116 PolarHBondContact O-N 2.04Å
117	L	74.4	Confident	71.9	Confident	93 Å²	93	76.1 Å²	76.1	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-84.2	-45.8	175.8	-69.4	169.4	0	0	0	112	V113 R114 K119 V120 F164	V113-L117 HydrophobicContact CG2-CD1 4.2Å; V113-L117 PolarHBondContact O-N 2.7Å; V113-L117 VanDerWaalsContact O-N 3.1Å; R114-L117 PolarHBondContact O-N 3.19Å; R114-L117 VanDerWaalsContact O-N 3.12Å; L117-K119 PolarHBondContact O-N 3.47Å; L117-V120 WeakPolarHBondContact O-CG2 3.4Å; L117-V120 PolarHBondContact O-N 2.79Å; L117-F164 HydrophobicContact CD2-CE1 3.89Å; L117-F164 HydrophobicContact CD2-CZ 3.92Å; L117-F164 HydrophobicContact CG-CE1 4.06Å; L117-F164 HydrophobicContact CG-CZ 4.17Å
118	T	66.6	Low	71.1	Confident	58 Å²	58	78.4 Å²	78.4	36%	0.356	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-22.7	-177.1	52.8	0	0	0	0	113.7	R114 V120 D121 P139	R114-T118 HydrophobicContact CG-CG2 4.39Å; R114-T118 PolarHBondContact O-N 2.88Å; R114-T118 PolarHBondContact O-OG1 3.35Å; T118-V120 PolarHBondContact O-N 3.27Å; T118-V120 VanDerWaalsContact O-N 3.17Å; T118-D121 PolarHBondContact O-N 3.31Å; T118-P139 HydrophobicContact CG2-CG 4.14Å
119	K	55.4	Low	70.5	Confident	115 Å²	115	84.2 Å²	84.2	50%	0.5	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.2	174.9	-85.1	-168.6	170.2	-166.8	0	115.2	L117	L117-K119 PolarHBondContact O-N 3.47Å
120	V	51.7	Low	69.5	Low	118 Å²	118	86.7 Å²	86.7	72%	0.715	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-26.2	173.7	-176.4	0	0	0	0	111.4	L117 T118	L117-V120 WeakPolarHBondContact O-CG2 3.4Å; L117-V120 PolarHBondContact O-N 2.79Å; T118-V120 PolarHBondContact O-N 3.27Å; T118-V120 VanDerWaalsContact O-N 3.17Å
121	D	47.2	Very low	68.6	Low	128 Å²	128	85 Å²	85	68%	0.684	46%	0.46	S	S	*	.			trans	-102.2	43.3	-177.2	-69.6	-39.2	0	0	0	112.8	T118 A123	T118-D121 PolarHBondContact O-N 3.31Å; D121-A123 PolarHBondContact O-N 3.11Å
122	E	49.4	Very low	67.3	Low	165 Å²	165	91 Å²	91	77%	0.771	48%	0.482	S	S	*	.			trans	-73	57.1	161.9	-76.8	-174.6	-170.8	0	0	110.7
123	A	50	Low	65.9	Low	52 Å²	52	93.7 Å²	93.7	43%	0.43	51%	0.505	S	S	.	.			trans	-81.3	122.7	161.8	0	0	0	0	0	108.4	D121 Y125	D121-A123 PolarHBondContact O-N 3.11Å; A123-Y125 VanDerWaalsContact C-N 3.33Å; A123-Y125 HydrophobicContact CB-CD2 4.5Å; A123-Y125 HydrophobicContact CB-CE2 3.99Å; A123-Y125 WeakPolarHBondContact O-CD2 3.5Å; A123-Y125 PolarHBondContact O-N 2.97Å
124	E	56.6	Low	64.3	Low	141 Å²	141	100.9 Å²	100.9	66%	0.659	54%	0.542	S	S	*	.			trans	-69.8	83.3	-176.2	-64.7	-174.4	122	0	0	112.1	M126	E124-M126 VanDerWaalsContact C-N 3.3Å; E124-M126 PolarHBondContact O-N 3.34Å
125	Y	61	Low	62.8	Low	171 Å²	171	102.2 Å²	102.2	67%	0.671	55%	0.553	S	S	*	*			trans	-70.7	84.2	172	-66.1	-72.4	0	0	0	110.8	A123 A133	A123-Y125 VanDerWaalsContact C-N 3.33Å; A123-Y125 HydrophobicContact CB-CD2 4.5Å; A123-Y125 HydrophobicContact CB-CE2 3.99Å; A123-Y125 WeakPolarHBondContact O-CD2 3.5Å; A123-Y125 PolarHBondContact O-N 2.97Å; Y125-A133 WeakPolarHBondContact O-CB 3.39Å; Y125-A133 PolarHBondContact O-N 2.73Å; Y125-A133 VanDerWaalsContact O-N 3.17Å
126	M	62.7	Low	61.9	Low	116 Å²	116	110.3 Å²	110.3	57%	0.571	59%	0.59	S	S	*	*	B	Isolated β-bridge	trans	-68.5	132.2	163.2	-87.8	177.1	-83.8	0	0	110.6	E124 S131	E124-M126 VanDerWaalsContact C-N 3.3Å; E124-M126 PolarHBondContact O-N 3.34Å; M126-S131 CarbonylContact C-O 3.48Å; M126-S131 WeakPolarHBondContact CA-O 3.1Å
127	C	71.6	Confident	61	Low	47 Å²	47	114.9 Å²	114.9	32%	0.318	61%	0.611	S	S	.	*			trans	-72.7	159.9	168.6	-68.4	0	0	0	0	110.8	D129 G130 S131	C127-D129 WeakPolarHBondContact CB-OD1 3.38Å; C127-D129 PolarHBondContact O-N 3.47Å; C127-G130 PolarHBondContact O-N 2.83Å; C127-S131 WeakPolarHBondContact CB-OG 3.08Å; C127-S131 PolarHBondContact N-O 2.82Å
128	P	73.6	Confident	60.4	Low	148 Å²	148	117 Å²	117	96%	0.961	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-9.6	-176.5	-24.3	35.4	0	0	0	115.9
129	D	78.9	Confident	60.2	Low	128 Å²	128	116.1 Å²	116.1	68%	0.684	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-1.2	175.4	61.7	-3	0	0	0	113.5	C127 S131	C127-D129 WeakPolarHBondContact CB-OD1 3.38Å; C127-D129 PolarHBondContact O-N 3.47Å; D129-S131 WeakPolarHBondContact OD1-CB 3.43Å; D129-S131 PolarHBondContact OD1-N 3.07Å; D129-S131 PolarHBondContact OD1-OG 3.34Å; D129-S131 PolarHBondContact OD2-OG 2.66Å
130	G	71.3	Confident	61	Low	53 Å²	53	112.8 Å²	112.8	55%	0.546	60%	0.604	S	S	.	*	S	Bend	trans	82.7	7.7	-175.6	0	0	0	0	0	114.5	C127	C127-G130 PolarHBondContact O-N 2.83Å
131	S	72.5	Confident	62.4	Low	50 Å²	50	110.4 Å²	110.4	35%	0.35	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-80.1	155	169.5	69.3	0	0	0	0	111.6	M126 C127 D129	M126-S131 CarbonylContact C-O 3.48Å; M126-S131 WeakPolarHBondContact CA-O 3.1Å; C127-S131 WeakPolarHBondContact CB-OG 3.08Å; C127-S131 PolarHBondContact N-O 2.82Å; D129-S131 WeakPolarHBondContact OD1-CB 3.43Å; D129-S131 PolarHBondContact OD1-N 3.07Å; D129-S131 PolarHBondContact OD1-OG 3.34Å; D129-S131 PolarHBondContact OD2-OG 2.66Å
132	Y	62.8	Low	64.5	Low	156 Å²	156	104.7 Å²	104.7	61%	0.612	56%	0.556	S	S	*	*	B	Isolated β-bridge	trans	-83.4	137.7	169.9	-67.2	-87.3	0	0	0	109.7	I134	Y132-I134 PolarHBondContact O-N 2.71Å; Y132-I134 VanDerWaalsContact O-N 3.15Å
133	A	60.3	Low	66.5	Low	56 Å²	56	97.1 Å²	97.1	46%	0.463	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-59.5	117.1	177.1	0	0	0	0	0	111.8	Y125 Q135	Y125-A133 WeakPolarHBondContact O-CB 3.39Å; Y125-A133 PolarHBondContact O-N 2.73Å; Y125-A133 VanDerWaalsContact O-N 3.17Å; A133-Q135 PolarHBondContact O-N 3.45Å; A133-Q135 VanDerWaalsContact O-N 3.09Å
134	I	55.6	Low	68.7	Low	153 Å²	153	94.6 Å²	94.6	79%	0.785	50%	0.501	S	S	*	.			trans	-73.7	102.8	177.4	-57.3	176.8	0	0	0	108.8	Y132 E136	Y132-I134 PolarHBondContact O-N 2.71Å; Y132-I134 VanDerWaalsContact O-N 3.15Å; I134-E136 HydrophobicContact CG2-CG 4.36Å; I134-E136 PolarHBondContact O-N 3.46Å; I134-E136 VanDerWaalsContact O-N 3.09Å
135	Q	53.7	Low	70.7	Confident	150 Å²	150	87.9 Å²	87.9	70%	0.701	47%	0.47	S	S	*	.			trans	-83.6	84.3	-179.2	-159.8	168.1	36	0	0	110.5	A133 N137	A133-Q135 PolarHBondContact O-N 3.45Å; A133-Q135 VanDerWaalsContact O-N 3.09Å; Q135-N137 PolarHBondContact O-N 3.15Å
136	E	50.9	Low	72.5	Confident	175 Å²	175	79.8 Å²	79.8	82%	0.818	44%	0.438	S	S	*	.	S	Bend	trans	-57.4	-14.1	-174	-62.2	-172.2	145.2	0	0	115.5	I134	I134-E136 HydrophobicContact CG2-CG 4.36Å; I134-E136 PolarHBondContact O-N 3.46Å; I134-E136 VanDerWaalsContact O-N 3.09Å
137	N	55	Low	74	Confident	139 Å²	139	74.2 Å²	74.2	74%	0.743	41%	0.411	S	S	*	.			trans	-117.4	65.3	179.8	-76.4	-85.5	0	0	0	111.9	Q135 P139	Q135-N137 PolarHBondContact O-N 3.15Å; N137-P139 VanDerWaalsContact O-CD 3.26Å; N137-P139 WeakPolarHBondContact O-CD 3.38Å
138	I	60.9	Low	75.1	Confident	139 Å²	139	72 Å²	72	71%	0.713	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-66.5	116.6	167.6	-55.7	177.2	0	0	0	108.2
139	P	64.2	Low	76	Confident	38 Å²	38	65.2 Å²	65.2	25%	0.247	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-73.8	139.8	-176.9	-13	29.2	0	0	0	111.3	R114 A115 T118 N137 L141	R114-P139 HydrophobicContact CB-CB 4.47Å; R114-P139 HydrophobicContact CG-CB 4.37Å; R114-P139 HydrophobicContact CG-CG 4.33Å; A115-P139 HydrophobicContact CB-CB 3.94Å; A115-P139 WeakPolarHBondContact CB-O 3.48Å; T118-P139 HydrophobicContact CG2-CG 4.14Å; N137-P139 VanDerWaalsContact O-CD 3.26Å; N137-P139 WeakPolarHBondContact O-CD 3.38Å; P139-L141 PolarHBondContact O-N 2.84Å
140	L	70.9	Confident	76.6	Confident	46 Å²	46	60.4 Å²	60.4	24%	0.241	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.4	127.5	-176.1	-60.8	176.1	0	0	0	111.5	K34 V40 A115 I142	K34-L140 HydrophobicContact CB-CD1 4.46Å; K34-L140 HydrophobicContact CG-CD1 4.24Å; V40-L140 HydrophobicContact CG1-CB 4.4Å; V40-L140 HydrophobicContact CG1-CD1 4.24Å; V40-L140 HydrophobicContact CG2-CB 4.3Å; V40-L140 HydrophobicContact CG2-CD1 4.38Å; V40-L140 HydrophobicContact CG2-CD2 4.37Å; A115-L140 WeakPolarHBondContact CB-O 3.41Å; L140-I142 PolarHBondContact O-N 3.5Å
141	L	81	Confident	77.7	Confident	68 Å²	68	58.1 Å²	58.1	36%	0.356	30%	0.3	S	S	.	.			trans	-76.1	113.3	175.4	-175.1	67.1	0	0	0	110.3	A115 P139 A143	A115-L141 HydrophobicContact CB-CD1 4.4Å; P139-L141 PolarHBondContact O-N 2.84Å; L141-A143 PolarHBondContact O-N 3.43Å
142	I	91.4	Very high	78.6	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	117	-178.9	-57.4	-54.8	0	0	0	110.8	V40 H94 F112 L140 G144 V145 I166	V40-I142 HydrophobicContact CB-CD1 4.24Å; V40-I142 HydrophobicContact CG1-CD1 3.68Å; H94-I142 HydrophobicContact CB-CD1 3.87Å; F112-I142 HydrophobicContact CB-CB 4.41Å; F112-I142 HydrophobicContact CB-CG1 3.87Å; F112-I142 HydrophobicContact CD1-CD1 4.21Å; F112-I142 HydrophobicContact CD1-CG1 3.93Å; F112-I142 HydrophobicContact CG-CG1 4.22Å; L140-I142 PolarHBondContact O-N 3.5Å; I142-G144 WeakPolarHBondContact CG2-O 3.43Å; I142-V145 HydrophobicContact CG2-CG2 3.92Å; I142-I166 HydrophobicContact CG2-CG2 4.36Å
143	A	92.6	Very high	80	Confident	6 Å²	6	49 Å²	49	5%	0.05	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-24.8	178.7	0	0	0	0	0	113.4	V40 L41 L141 L425 L430	V40-A143 PolarHBondContact O-N 3.49Å; L41-A143 HydrophobicContact CD2-CB 4.12Å; L141-A143 PolarHBondContact O-N 3.43Å; A143-L425 HydrophobicContact CB-CD1 3.33Å; A143-L430 WeakPolarHBondContact O-CD2 3.34Å
144	G	95.8	Very high	81.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	162.2	179.5	0	0	0	0	0	111.2	L41 G42 I142 P167	L41-G144 WeakPolarHBondContact CA-O 3.41Å; G42-G144 PolarHBondContact N-O 2.88Å; I142-G144 WeakPolarHBondContact CG2-O 3.43Å; G144-P167 CarbonylContact C-O 3.58Å; G144-P167 VanDerWaalsContact CA-O 3.23Å; G144-P167 WeakPolarHBondContact CA-O 3.43Å
145	V	97.9	Very high	83.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.2	-174.8	178.9	0	0	0	0	111.5	G42 L44 F112 I142 L161 I166 P167 Q168 I169	G42-V145 CarbonylContact O-C 3.57Å; G42-V145 WeakPolarHBondContact O-CA 3.29Å; L44-V145 HydrophobicContact CD1-CG1 4.01Å; L44-V145 HydrophobicContact CG-CG1 4.18Å; F112-V145 HydrophobicContact CD2-CG1 4.37Å; F112-V145 HydrophobicContact CD2-CG2 3.75Å; F112-V145 HydrophobicContact CE2-CG1 3.91Å; F112-V145 HydrophobicContact CE2-CG2 4.06Å; F112-V145 HydrophobicContact CG-CG2 4.32Å; I142-V145 HydrophobicContact CG2-CG2 3.92Å; V145-L161 HydrophobicContact CB-CD1 3.8Å; V145-L161 HydrophobicContact CG1-CD1 4.28Å; V145-L161 HydrophobicContact CG2-CD1 3.66Å; V145-L161 HydrophobicContact CG2-CD2 4.12Å; V145-I166 HydrophobicContact CG2-CG2 4.12Å; V145-P167 PolarHBondContact N-O 3.41Å; V145-Q168 CarbonylContact O-C 3.59Å; V145-Q168 WeakPolarHBondContact O-CA 3.1Å; V145-I169 PolarHBondContact O-N 3.32Å
146	I	98.4	Very high	85.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.1	174.7	-54.2	-57.7	0	0	0	109.2	L41 G42 L44 M72 I169 Y171 A396 V397 M400	L41-I146 HydrophobicContact CD1-CG1 4.5Å; G42-I146 PolarHBondContact O-N 3.48Å; L44-I146 PolarHBondContact N-O 3.3Å; M72-I146 HydrophobicContact CE-CB 4.22Å; M72-I146 HydrophobicContact CE-CG1 4.09Å; M72-I146 HydrophobicContact SD-CB 4.01Å; M72-I146 HydrophobicContact SD-CG1 4.4Å; M72-I146 HydrophobicContact SD-CG2 4.32Å; I146-I169 WeakPolarHBondContact CA-O 3.49Å; I146-I169 HydrophobicContact CD1-CB 4.17Å; I146-Y171 HydrophobicContact CG2-CD1 4Å; I146-Y171 HydrophobicContact CG2-CE1 4.45Å; I146-A396 HydrophobicContact CD1-CB 4.33Å; I146-A396 HydrophobicContact CG2-CB 4.09Å; I146-V397 HydrophobicContact CG1-CG2 4.36Å; I146-V397 HydrophobicContact CG2-CG2 4.41Å; I146-M400 HydrophobicContact CD1-CB 4.3Å
147	G	95.4	Very high	87.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.			trans	115.1	-161.6	-173.3	0	0	0	0	0	113.5	Q168 I169	G147-Q168 VanDerWaalsContact O-CG 3.26Å; G147-Q168 WeakPolarHBondContact O-CG 3.13Å; G147-Q168 PolarHBondContact O-NE2 2.66Å; G147-I169 PolarHBondContact N-O 2.89Å
148	G	93.4	Very high	89.7	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.			cis	-74.3	-177.1	-11.2	0	0	0	0	0	112.4	S154 S170 S173	G148-S154 PolarHBondContact N-OG 2.97Å; G148-S154 VanDerWaalsContact N-OG 3.15Å; G148-S154 PolarHBondContact O-OG 3.22Å; G148-S170 PolarHBondContact O-OG 2.89Å; G148-S173 PolarHBondContact O-OG 2.83Å
149	S	92.8	Very high	91.3	Very high	6 Å²	6	17 Å²	17	4%	0.042	9%	0.092	C	C	.	.	S	Bend	trans	-77	-57.1	177.7	-175.5	0	0	0	0	112.5	R68 Y171 A172 S173	R68-S149 PolarHBondContact NH1-OG 2.94Å; S149-Y171 PolarHBondContact N-OH 2.79Å; S149-A172 CarbonylContact O-C 3.59Å; S149-A172 VanDerWaalsContact O-C 3.25Å; S149-S173 PolarHBondContact O-N 2.96Å; S149-S173 PolarHBondContact O-OG 2.93Å
150	Y	91.9	Very high	92.8	Very high	26 Å²	26	16.1 Å²	16.1	10%	0.102	9%	0.085	C	C	.	.	S	Bend	trans	-81.4	140.1	-173.1	-65.2	-79.3	0	0	0	112.1	P46 S152 V153 S154 S173	P46-Y150 HydrophobicContact CB-CE2 3.98Å; P46-Y150 HydrophobicContact CG-CE2 4.38Å; Y150-S152 VanDerWaalsContact C-N 3.34Å; Y150-S152 PolarHBondContact O-N 3.41Å; Y150-V153 WeakPolarHBondContact O-CA 3.42Å; Y150-V153 WeakPolarHBondContact O-CB 3.48Å; Y150-V153 PolarHBondContact O-N 3.06Å; Y150-S154 PolarHBondContact O-N 3.06Å; Y150-S173 VanDerWaalsContact C-OG 3.27Å; Y150-S173 PolarHBondContact O-OG 3.09Å
151	S	94	Very high	93.9	Very high	6 Å²	6	14 Å²	14	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-54.8	-42.9	-177.9	-58	0	0	0	0	114.1	V153 S154 I155 S173 T174 S175	S151-V153 PolarHBondContact O-N 3.26Å; S151-S154 PolarHBondContact O-N 3.5Å; S151-I155 VanDerWaalsContact O-CG1 3.3Å; S151-I155 WeakPolarHBondContact O-CG1 3.22Å; S151-I155 PolarHBondContact O-N 2.92Å; S151-S173 PolarHBondContact N-OG 2.88Å; S151-T174 PolarHBondContact OG-N 3.38Å; S151-S175 PolarHBondContact OG-N 3.23Å
152	S	91.5	Very high	94.6	Very high	14 Å²	14	14.4 Å²	14.4	10%	0.098	7%	0.071	C	C	.	.	H	α-helix	trans	-68.1	-32.1	177.2	54	0	0	0	0	113.6	Y150 Q156	Y150-S152 VanDerWaalsContact C-N 3.34Å; Y150-S152 PolarHBondContact O-N 3.41Å; S152-Q156 WeakPolarHBondContact O-CG 3.21Å; S152-Q156 PolarHBondContact O-N 3.43Å
153	V	93.1	Very high	94.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-64.1	-52.2	170	168.8	0	0	0	0	109.5	T98 D102 A105 Y150 S151 I155 Q156 V157	T98-V153 HydrophobicContact CG2-CG1 4.11Å; D102-V153 HydrophobicContact CB-CG2 4.27Å; A105-V153 HydrophobicContact CB-CB 4.45Å; A105-V153 HydrophobicContact CB-CG1 3.51Å; A105-V153 HydrophobicContact CB-CG2 4.27Å; Y150-V153 WeakPolarHBondContact O-CA 3.42Å; Y150-V153 WeakPolarHBondContact O-CB 3.48Å; Y150-V153 PolarHBondContact O-N 3.06Å; S151-V153 PolarHBondContact O-N 3.26Å; V153-I155 VanDerWaalsContact C-N 3.31Å; V153-I155 PolarHBondContact O-N 3.13Å; V153-Q156 PolarHBondContact O-N 3.49Å; V153-V157 HydrophobicContact CG1-CG2 4.21Å; V153-V157 VanDerWaalsContact O-CG2 3.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.42Å; V153-V157 PolarHBondContact O-N 3.43Å
154	S	96.3	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-34.5	-177.8	-68.7	0	0	0	0	113.3	G148 Y150 S151 A158 S173	G148-S154 PolarHBondContact N-OG 2.97Å; G148-S154 VanDerWaalsContact N-OG 3.15Å; G148-S154 PolarHBondContact O-OG 3.22Å; Y150-S154 PolarHBondContact O-N 3.06Å; S151-S154 PolarHBondContact O-N 3.5Å; S154-A158 WeakPolarHBondContact O-CB 3.45Å; S154-A158 PolarHBondContact O-N 3.48Å; S154-S173 WeakPolarHBondContact CB-OG 3.5Å; S154-S173 PolarHBondContact OG-OG 2.81Å
155	I	95.4	Very high	94.5	Very high	10 Å²	10	27 Å²	27	5%	0.051	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-49.9	173.2	-76.6	166.3	0	0	0	111.2	S151 V153 A158 N159 K177 L178 Y184 D221	S151-I155 VanDerWaalsContact O-CG1 3.3Å; S151-I155 WeakPolarHBondContact O-CG1 3.22Å; S151-I155 PolarHBondContact O-N 2.92Å; V153-I155 VanDerWaalsContact C-N 3.31Å; V153-I155 PolarHBondContact O-N 3.13Å; I155-A158 PolarHBondContact O-N 3.19Å; I155-N159 VanDerWaalsContact O-CG 3.24Å; I155-N159 PolarHBondContact O-N 2.75Å; I155-N159 VanDerWaalsContact O-N 3.1Å; I155-N159 PolarHBondContact O-ND2 3.32Å; I155-N159 VanDerWaalsContact O-ND2 3.12Å; I155-K177 HydrophobicContact CD1-CB 4.37Å; I155-K177 HydrophobicContact CD1-CD 4.49Å; I155-L178 HydrophobicContact CG1-CD1 4.38Å; I155-L178 HydrophobicContact CG1-CD2 3.69Å; I155-L178 HydrophobicContact CG1-CG 3.94Å; I155-Y184 HydrophobicContact CG2-CE1 4.27Å; I155-D221 HydrophobicContact CD1-CB 3.48Å; I155-D221 VanDerWaalsContact CD1-CB 3.48Å
156	Q	94.8	Very high	94.4	Very high	70 Å²	70	27.6 Å²	27.6	33%	0.327	13%	0.134	S	C	.	.	H	α-helix	trans	-68.5	-38.8	-178.6	-65.4	-67.5	65.4	0	0	112.2	D102 L106 S152 V153 N159 L160	D102-Q156 HydrophobicContact CB-CG 4.23Å; L106-Q156 HydrophobicContact CB-CB 4.46Å; S152-Q156 WeakPolarHBondContact O-CG 3.21Å; S152-Q156 PolarHBondContact O-N 3.43Å; V153-Q156 PolarHBondContact O-N 3.49Å; Q156-N159 PolarHBondContact O-N 2.71Å; Q156-N159 PolarHBondContact OE1-ND2 2.95Å; Q156-L160 PolarHBondContact O-N 3.05Å
157	V	95.8	Very high	94.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.5	-42.9	176.2	174.6	0	0	0	0	111.3	L44 A105 S109 V153 N159 L160 L161	L44-V157 HydrophobicContact CD1-CB 4.38Å; L44-V157 HydrophobicContact CD1-CG1 3.75Å; L44-V157 HydrophobicContact CD1-CG2 3.88Å; A105-V157 HydrophobicContact CB-CG2 4.49Å; S109-V157 WeakPolarHBondContact OG-CG2 3.46Å; V153-V157 HydrophobicContact CG1-CG2 4.21Å; V153-V157 VanDerWaalsContact O-CG2 3.31Å; V153-V157 WeakPolarHBondContact O-CG2 3.42Å; V153-V157 PolarHBondContact O-N 3.43Å; V157-N159 VanDerWaalsContact C-N 3.3Å; V157-N159 PolarHBondContact O-N 2.95Å; V157-L160 PolarHBondContact O-N 2.86Å; V157-L160 VanDerWaalsContact O-N 3.08Å; V157-L161 HydrophobicContact CG1-CD1 3.59Å; V157-L161 HydrophobicContact CG1-CG 3.94Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 3.27Å
158	A	96.4	Very high	94.5	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-36.6	177	0	0	0	0	0	112.3	S154 I155 L160 R162 Q168 Y184 F187	S154-A158 WeakPolarHBondContact O-CB 3.45Å; S154-A158 PolarHBondContact O-N 3.48Å; I155-A158 PolarHBondContact O-N 3.19Å; A158-L160 VanDerWaalsContact C-N 3.26Å; A158-L160 PolarHBondContact O-N 2.93Å; A158-R162 WeakPolarHBondContact O-CB 3.32Å; A158-R162 WeakPolarHBondContact O-CG 3.49Å; A158-R162 PolarHBondContact O-N 3.08Å; A158-R162 VanDerWaalsContact O-N 3.12Å; A158-Q168 VanDerWaalsContact CA-OE1 3.3Å; A158-Y184 HydrophobicContact CB-CD1 3.84Å; A158-Y184 HydrophobicContact CB-CE1 4.48Å; A158-F187 HydrophobicContact CB-CD2 4.35Å
159	N	95.3	Very high	94.7	Very high	54 Å²	54	27.7 Å²	27.7	29%	0.289	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-31.4	174.3	-72.2	-33.4	0	0	0	112.8	I155 Q156 V157	I155-N159 VanDerWaalsContact O-CG 3.24Å; I155-N159 PolarHBondContact O-N 2.75Å; I155-N159 VanDerWaalsContact O-N 3.1Å; I155-N159 PolarHBondContact O-ND2 3.32Å; I155-N159 VanDerWaalsContact O-ND2 3.12Å; Q156-N159 PolarHBondContact O-N 2.71Å; Q156-N159 PolarHBondContact OE1-ND2 2.95Å; V157-N159 VanDerWaalsContact C-N 3.3Å; V157-N159 PolarHBondContact O-N 2.95Å
160	L	95	Very high	94.9	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.105	13%	0.133	C	C	.	.	H	α-helix	trans	-80.4	-55.1	173.5	174.6	64.5	0	0	0	111.6	L106 L110 Q156 V157 A158 R162 L163 F164	L106-L160 HydrophobicContact CD1-CB 3.88Å; L106-L160 HydrophobicContact CD1-CD2 4.07Å; L110-L160 HydrophobicContact CD2-CD1 4.1Å; L110-L160 HydrophobicContact CD2-CD2 3.92Å; L110-L160 HydrophobicContact CG-CD2 4.43Å; Q156-L160 PolarHBondContact O-N 3.05Å; V157-L160 PolarHBondContact O-N 2.86Å; V157-L160 VanDerWaalsContact O-N 3.08Å; A158-L160 VanDerWaalsContact C-N 3.26Å; A158-L160 PolarHBondContact O-N 2.93Å; L160-R162 PolarHBondContact O-N 3.18Å; L160-L163 WeakPolarHBondContact O-CB 3.4Å; L160-L163 PolarHBondContact O-N 3.33Å; L160-L163 VanDerWaalsContact O-N 3.09Å; L160-F164 HydrophobicContact CD1-CE2 4.03Å
161	L	94.8	Very high	95.1	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-31.6	-171.8	-68	-179.5	0	0	0	112.8	V113 V145 V157 L163 F164 Q165 I166 Q168	V113-L161 HydrophobicContact CG1-CD2 4.26Å; V145-L161 HydrophobicContact CB-CD1 3.8Å; V145-L161 HydrophobicContact CG1-CD1 4.28Å; V145-L161 HydrophobicContact CG2-CD1 3.66Å; V145-L161 HydrophobicContact CG2-CD2 4.12Å; V157-L161 HydrophobicContact CG1-CD1 3.59Å; V157-L161 HydrophobicContact CG1-CG 3.94Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 3.27Å; L161-L163 VanDerWaalsContact C-N 3.26Å; L161-L163 PolarHBondContact O-N 3.2Å; L161-F164 CarbonylContact O-C 3.52Å; L161-F164 PolarHBondContact O-N 2.98Å; L161-F164 VanDerWaalsContact O-N 3.11Å; L161-Q165 PolarHBondContact O-N 3.31Å; L161-I166 HydrophobicContact CB-CB 4.26Å; L161-I166 HydrophobicContact CD2-CB 4.16Å; L161-I166 HydrophobicContact CD2-CD1 4.19Å; L161-I166 HydrophobicContact CD2-CG2 4.25Å; L161-I166 PolarHBondContact O-N 3.28Å; L161-I166 VanDerWaalsContact O-N 3.08Å; L161-Q168 HydrophobicContact CD1-CB 4.06Å; L161-Q168 HydrophobicContact CD1-CG 4.26Å
162	R	94.6	Very high	95.2	Very high	75 Å²	75	26.5 Å²	26.5	28%	0.283	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-63.5	-27.7	177.9	73.3	-179.8	-58.8	-146	0.4	114.4	A158 L160 F164 Q165 S182 R183 D185 Y186	A158-R162 WeakPolarHBondContact O-CB 3.32Å; A158-R162 WeakPolarHBondContact O-CG 3.49Å; A158-R162 PolarHBondContact O-N 3.08Å; A158-R162 VanDerWaalsContact O-N 3.12Å; L160-R162 PolarHBondContact O-N 3.18Å; R162-F164 PolarHBondContact O-N 2.9Å; R162-Q165 PolarHBondContact O-N 2.66Å; R162-S182 PolarHBondContact NH2-O 2.86Å; R162-R183 WeakPolarHBondContact CD-O 3.34Å; R162-R183 PolarHBondContact NE-O 2.89Å; R162-R183 PolarHBondContact NH1-O 3.22Å; R162-D185 WeakPolarHBondContact CB-OD1 3.36Å; R162-D185 IonicContact CZ-OD1 3.42Å; R162-D185 IonicContact CZ-OD2 2.81Å; R162-D185 IonicContact NE-OD1 2.73Å; R162-D185 PolarHBondContact NE-OD1 3.19Å; R162-D185 IonicContact NE-OD2 3.76Å; R162-D185 IonicContact NH2-OD1 3.5Å; R162-D185 PolarHBondContact NH2-OD1 3.11Å; R162-D185 IonicContact NH2-OD2 3.54Å; R162-D185 PolarHBondContact NH2-OD2 3.25Å; R162-Y186 HydrophobicContact CB-CD2 3.89Å; R162-Y186 HydrophobicContact CB-CE2 4.36Å
163	L	93.1	Very high	95.4	Very high	130 Å²	130	25.8 Å²	25.8	68%	0.681	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-65.1	-30.9	176.5	-57.6	176.7	0	0	0	111.4	L160 L161	L160-L163 WeakPolarHBondContact O-CB 3.4Å; L160-L163 PolarHBondContact O-N 3.33Å; L160-L163 VanDerWaalsContact O-N 3.09Å; L161-L163 VanDerWaalsContact C-N 3.26Å; L161-L163 PolarHBondContact O-N 3.2Å
164	F	91.8	Very high	95.5	Very high	64 Å²	64	25.9 Å²	25.9	28%	0.281	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-102.3	7.7	178	-58.1	-89.2	0	0	0	112.5	V113 L117 L160 L161 R162 I166	V113-F164 HydrophobicContact CB-CD1 4.11Å; V113-F164 HydrophobicContact CB-CD2 3.74Å; V113-F164 HydrophobicContact CB-CE1 4.1Å; V113-F164 HydrophobicContact CB-CE2 3.74Å; V113-F164 HydrophobicContact CB-CG 3.92Å; V113-F164 HydrophobicContact CB-CZ 3.92Å; V113-F164 HydrophobicContact CG1-CB 4.11Å; V113-F164 HydrophobicContact CG1-CD1 4.36Å; V113-F164 HydrophobicContact CG1-CD2 3.32Å; V113-F164 HydrophobicContact CG1-CE2 3.76Å; V113-F164 HydrophobicContact CG1-CG 3.67Å; V113-F164 HydrophobicContact CG1-CZ 4.42Å; V113-F164 HydrophobicContact CG2-CD2 4.33Å; V113-F164 HydrophobicContact CG2-CE2 3.88Å; V113-F164 HydrophobicContact CG2-CZ 4.06Å; L117-F164 HydrophobicContact CD2-CE1 3.89Å; L117-F164 HydrophobicContact CD2-CZ 3.92Å; L117-F164 HydrophobicContact CG-CE1 4.06Å; L117-F164 HydrophobicContact CG-CZ 4.17Å; L160-F164 HydrophobicContact CD1-CE2 4.03Å; L161-F164 CarbonylContact O-C 3.52Å; L161-F164 PolarHBondContact O-N 2.98Å; L161-F164 VanDerWaalsContact O-N 3.11Å; R162-F164 PolarHBondContact O-N 2.9Å; F164-I166 HydrophobicContact CB-CD1 4.08Å; F164-I166 HydrophobicContact CB-CG1 4.02Å; F164-I166 PolarHBondContact O-N 2.7Å; F164-I166 VanDerWaalsContact O-N 3.16Å
165	Q	93.3	Very high	95.4	Very high	84 Å²	84	25.9 Å²	25.9	39%	0.393	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	20.3	-179.2	-51	179.3	24	0	0	114.9	L161 R162 Y186 G427	L161-Q165 PolarHBondContact O-N 3.31Å; R162-Q165 PolarHBondContact O-N 2.66Å; Q165-Y186 HydrophobicContact CB-CE2 4.25Å; Q165-Y186 HydrophobicContact CG-CE2 4.22Å; Q165-G427 CarbonylContact O-C 3.53Å; Q165-G427 VanDerWaalsContact O-CA 3.3Å; Q165-G427 WeakPolarHBondContact O-CA 3.38Å
166	I	95.4	Very high	95.2	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.062	14%	0.139	C	C	.	.			trans	-77	123	-177.5	-59.4	177.5	0	0	0	109.2	V113 I142 V145 L161 F164	V113-I166 HydrophobicContact CG1-CD1 4Å; I142-I166 HydrophobicContact CG2-CG2 4.36Å; V145-I166 HydrophobicContact CG2-CG2 4.12Å; L161-I166 HydrophobicContact CB-CB 4.26Å; L161-I166 HydrophobicContact CD2-CB 4.16Å; L161-I166 HydrophobicContact CD2-CD1 4.19Å; L161-I166 HydrophobicContact CD2-CG2 4.25Å; L161-I166 PolarHBondContact O-N 3.28Å; L161-I166 VanDerWaalsContact O-N 3.08Å; F164-I166 HydrophobicContact CB-CD1 4.08Å; F164-I166 HydrophobicContact CB-CG1 4.02Å; F164-I166 PolarHBondContact O-N 2.7Å; F164-I166 VanDerWaalsContact O-N 3.16Å
167	P	97.1	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.14	C	C	.	.			trans	-72.7	142.4	179	28.4	-33.2	0	0	0	112.3	G144 V145 Y186 M400 L430 Y431 L435	G144-P167 CarbonylContact C-O 3.58Å; G144-P167 VanDerWaalsContact CA-O 3.23Å; G144-P167 WeakPolarHBondContact CA-O 3.43Å; V145-P167 PolarHBondContact N-O 3.41Å; P167-Y186 WeakPolarHBondContact CA-O 3.49Å; P167-M400 HydrophobicContact CB-CE 4.47Å; P167-M400 HydrophobicContact CG-CE 4.23Å; P167-L430 HydrophobicContact CG-CD2 3.9Å; P167-L430 HydrophobicContact CG-CG 4.23Å; P167-Y431 HydrophobicContact CB-CD2 4.13Å; P167-L435 HydrophobicContact CB-CD1 4.04Å
168	Q	97.9	Very high	95.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.8	-179.9	-174.7	-177.2	-15.8	0	0	110.4	V145 G147 A158 L161 Y186 F187 A188	V145-Q168 CarbonylContact O-C 3.59Å; V145-Q168 WeakPolarHBondContact O-CA 3.1Å; G147-Q168 VanDerWaalsContact O-CG 3.26Å; G147-Q168 WeakPolarHBondContact O-CG 3.13Å; G147-Q168 PolarHBondContact O-NE2 2.66Å; A158-Q168 VanDerWaalsContact CA-OE1 3.3Å; L161-Q168 HydrophobicContact CD1-CB 4.06Å; L161-Q168 HydrophobicContact CD1-CG 4.26Å; Q168-Y186 PolarHBondContact N-O 3.11Å; Q168-F187 HydrophobicContact CB-CD2 4.24Å; Q168-F187 HydrophobicContact CG-CD2 4.05Å; Q168-F187 HydrophobicContact CG-CE2 4.32Å; Q168-A188 PolarHBondContact O-N 3.26Å
169	I	98.4	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.4	170.9	-50.5	179.1	0	0	0	109.4	V145 I146 G147 A188 T190 A396 A399 M400 L435 F456	V145-I169 PolarHBondContact O-N 3.32Å; I146-I169 WeakPolarHBondContact CA-O 3.49Å; I146-I169 HydrophobicContact CD1-CB 4.17Å; G147-I169 PolarHBondContact N-O 2.89Å; I169-A188 CarbonylContact C-O 3.47Å; I169-A188 VanDerWaalsContact CA-O 3.3Å; I169-A188 WeakPolarHBondContact CA-O 3.35Å; I169-T190 HydrophobicContact CG2-CG2 4.19Å; I169-A396 HydrophobicContact CB-CB 4.31Å; I169-A396 HydrophobicContact CG2-CB 3.67Å; I169-A399 HydrophobicContact CD1-CB 4.03Å; I169-M400 HydrophobicContact CD1-CB 4.18Å; I169-M400 HydrophobicContact CD1-CE 3.84Å; I169-M400 HydrophobicContact CG1-CE 3.97Å; I169-L435 HydrophobicContact CD1-CD1 3.88Å; I169-L435 HydrophobicContact CD1-CG 4.23Å; I169-L435 HydrophobicContact CG1-CD1 4.02Å; I169-F456 HydrophobicContact CD1-CZ 4.42Å; I169-F456 HydrophobicContact CG2-CZ 4.17Å
170	S	98.1	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.8	171.9	-177.7	0	0	0	0	112.2	G148 A172 S173 A188 R189 T190	G148-S170 PolarHBondContact O-OG 2.89Å; S170-A172 PolarHBondContact OG-N 2.69Å; S170-S173 VanDerWaalsContact OG-CB 3.23Å; S170-S173 WeakPolarHBondContact OG-CB 3.23Å; S170-S173 PolarHBondContact OG-N 2.59Å; S170-S173 PolarHBondContact OG-OG 3.07Å; S170-A188 PolarHBondContact N-O 2.84Å; S170-R189 CarbonylContact O-C 3.47Å; S170-R189 WeakPolarHBondContact O-CA 3.2Å; S170-R189 VanDerWaalsContact O-CB 3.24Å; S170-R189 WeakPolarHBondContact O-CB 3.26Å; S170-T190 PolarHBondContact O-N 3.46Å; S170-T190 PolarHBondContact O-OG1 2.8Å
171	Y	96.1	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-100.9	-0.8	175.3	54.5	-100.9	0	0	0	113.4	L44 F45 I146 S149 V191 V393	L44-Y171 PolarHBondContact O-OH 3.41Å; F45-Y171 AromaticContact CD1-CE1 3.94Å; F45-Y171 HydrophobicContact CD1-CE1 3.94Å; F45-Y171 AromaticContact CD1-CZ 3.66Å; F45-Y171 WeakPolarHBondContact CD1-OH 3.28Å; F45-Y171 HydrophobicContact CE1-CD1 4.31Å; F45-Y171 AromaticContact CE1-CE1 3.49Å; F45-Y171 HydrophobicContact CE1-CE1 3.49Å; F45-Y171 VanDerWaalsContact CE1-CE1 3.49Å; F45-Y171 AromaticContact CE1-CZ 3.67Å; F45-Y171 HydrophobicContact CZ-CE1 4.17Å; I146-Y171 HydrophobicContact CG2-CD1 4Å; I146-Y171 HydrophobicContact CG2-CE1 4.45Å; S149-Y171 PolarHBondContact N-OH 2.79Å; Y171-V191 VanDerWaalsContact O-CG1 3.28Å; Y171-V191 WeakPolarHBondContact O-CG1 3.26Å; Y171-V393 HydrophobicContact CD1-CG2 4.12Å; Y171-V393 HydrophobicContact CD2-CG2 3.74Å; Y171-V393 HydrophobicContact CE2-CG2 4.36Å; Y171-V393 HydrophobicContact CG-CB 4.46Å; Y171-V393 HydrophobicContact CG-CG2 3.63Å
172	A	95.1	Very high	94.9	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	18%	0.183	C	C	.	.	S	Bend	trans	-156.1	-2.3	-175.7	0	0	0	0	0	116.5	S149 S170 T174 K389	S149-A172 CarbonylContact O-C 3.59Å; S149-A172 VanDerWaalsContact O-C 3.25Å; S170-A172 PolarHBondContact OG-N 2.69Å; A172-T174 PolarHBondContact O-N 2.98Å; A172-K389 HydrophobicContact CB-CD 3.91Å
173	S	95.3	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.			trans	-88.4	96.3	-178.8	-65.2	0	0	0	0	112.2	G148 S149 Y150 S151 S154 S170 R189	G148-S173 PolarHBondContact O-OG 2.83Å; S149-S173 PolarHBondContact O-N 2.96Å; S149-S173 PolarHBondContact O-OG 2.93Å; Y150-S173 VanDerWaalsContact C-OG 3.27Å; Y150-S173 PolarHBondContact O-OG 3.09Å; S151-S173 PolarHBondContact N-OG 2.88Å; S154-S173 WeakPolarHBondContact CB-OG 3.5Å; S154-S173 PolarHBondContact OG-OG 2.81Å; S170-S173 VanDerWaalsContact OG-CB 3.23Å; S170-S173 WeakPolarHBondContact OG-CB 3.23Å; S170-S173 PolarHBondContact OG-N 2.59Å; S170-S173 PolarHBondContact OG-OG 3.07Å; S173-R189 WeakPolarHBondContact O-CD 3.44Å; S173-R189 PolarHBondContact O-NH1 3.4Å
174	T	95.1	Very high	95	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.159	C	C	.	.			trans	-92.5	-4.9	-170.4	55	0	0	0	0	115.1	S151 A172 A176 R189 V191 P192 P193 D194 Y222	S151-T174 PolarHBondContact OG-N 3.38Å; A172-T174 PolarHBondContact O-N 2.98Å; T174-A176 PolarHBondContact O-N 3.4Å; T174-R189 PolarHBondContact O-NH1 3.17Å; T174-R189 VanDerWaalsContact O-NH1 3.17Å; T174-V191 HydrophobicContact CG2-CB 4.31Å; T174-V191 HydrophobicContact CG2-CG2 3.91Å; T174-P192 WeakPolarHBondContact CG2-O 3.28Å; T174-P193 CarbonylContact O-C 3.55Å; T174-P193 VanDerWaalsContact O-CA 3.22Å; T174-P193 WeakPolarHBondContact O-CA 3.28Å; T174-D194 WeakPolarHBondContact CB-OD1 3.47Å; T174-D194 VanDerWaalsContact O-CG 3.31Å; T174-D194 PolarHBondContact O-N 3.11Å; T174-D194 VanDerWaalsContact OG1-CG 3.28Å; T174-D194 PolarHBondContact OG1-OD1 3.48Å; T174-D194 PolarHBondContact OG1-OD2 3.28Å; T174-Y222 VanDerWaalsContact OG1-CE2 3.31Å; T174-Y222 WeakPolarHBondContact OG1-CE2 3.5Å
175	S	94.3	Very high	95.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.			trans	-53.9	131.9	-178.4	179.4	0	0	0	0	113.2	S151 K177 L178 R189 D194 D221 T225	S151-S175 PolarHBondContact OG-N 3.23Å; S175-K177 PolarHBondContact O-N 2.83Å; S175-K177 PolarHBondContact OG-N 3.29Å; S175-L178 PolarHBondContact O-N 2.97Å; S175-R189 PolarHBondContact O-NH1 3.48Å; S175-D194 WeakPolarHBondContact CA-OD2 3.38Å; S175-D194 PolarHBondContact N-OD2 3.25Å; S175-D221 WeakPolarHBondContact CB-O 3.26Å; S175-D221 PolarHBondContact OG-O 3.17Å; S175-T225 PolarHBondContact OG-OG1 2.94Å
176	A	92.2	Very high	95.2	Very high	40 Å²	40	26.2 Å²	26.2	33%	0.331	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-61	-24.1	178.7	0	0	0	0	0	113.1	T174 L178 S179	T174-A176 PolarHBondContact O-N 3.4Å; A176-L178 PolarHBondContact O-N 3Å; A176-L178 VanDerWaalsContact O-N 3.15Å; A176-S179 PolarHBondContact O-N 3.17Å; A176-S179 PolarHBondContact O-OG 2.81Å
177	K	92.4	Very high	95.3	Very high	79 Å²	79	25.8 Å²	25.8	34%	0.343	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-56.1	-30.8	176.4	-78.4	166	172.2	163.1	0	113.1	I155 S175 S179 D180 Y184 D221 T225	I155-K177 HydrophobicContact CD1-CB 4.37Å; I155-K177 HydrophobicContact CD1-CD 4.49Å; S175-K177 PolarHBondContact O-N 2.83Å; S175-K177 PolarHBondContact OG-N 3.29Å; K177-S179 VanDerWaalsContact C-N 3.29Å; K177-S179 PolarHBondContact O-N 2.92Å; K177-D180 PolarHBondContact O-N 3.22Å; K177-Y184 VanDerWaalsContact O-CD2 3.26Å; K177-Y184 WeakPolarHBondContact O-CD2 3.48Å; K177-Y184 WeakPolarHBondContact O-CE2 3.46Å; K177-D221 HydrophobicContact CD-CB 4.14Å; K177-D221 WeakPolarHBondContact CD-OD1 3.33Å; K177-D221 WeakPolarHBondContact CE-OD1 3.25Å; K177-D221 IonicContact NZ-OD1 3.69Å; K177-D221 PolarHBondContact NZ-OD1 2.68Å; K177-T225 HydrophobicContact CD-CG2 3.7Å; K177-T225 HydrophobicContact CG-CG2 4.09Å
178	L	95.1	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-75.7	-11.6	-176.2	-72.8	161	0	0	0	114.3	I155 S175 A176 D180 K181 Y184 F187	I155-L178 HydrophobicContact CG1-CD1 4.38Å; I155-L178 HydrophobicContact CG1-CD2 3.69Å; I155-L178 HydrophobicContact CG1-CG 3.94Å; S175-L178 PolarHBondContact O-N 2.97Å; A176-L178 PolarHBondContact O-N 3Å; A176-L178 VanDerWaalsContact O-N 3.15Å; L178-D180 VanDerWaalsContact C-N 3.3Å; L178-K181 PolarHBondContact O-NZ 3.22Å; L178-Y184 HydrophobicContact CD2-CD1 4.27Å; L178-Y184 HydrophobicContact CD2-CD2 4.44Å; L178-Y184 HydrophobicContact CD2-CE1 4.5Å; L178-Y184 HydrophobicContact CD2-CG 4.23Å; L178-F187 HydrophobicContact CB-CD1 3.86Å; L178-F187 HydrophobicContact CB-CE1 3.61Å; L178-F187 HydrophobicContact CB-CZ 4.25Å; L178-F187 HydrophobicContact CD1-CE1 4Å; L178-F187 HydrophobicContact CD1-CE2 4.38Å; L178-F187 HydrophobicContact CD1-CZ 3.77Å; L178-F187 HydrophobicContact CD2-CD1 4.08Å; L178-F187 HydrophobicContact CD2-CD2 4.13Å; L178-F187 HydrophobicContact CD2-CE1 4.08Å; L178-F187 HydrophobicContact CD2-CE2 4.11Å; L178-F187 HydrophobicContact CD2-CG 4.12Å; L178-F187 HydrophobicContact CD2-CZ 4.09Å; L178-F187 HydrophobicContact CG-CD1 4.45Å; L178-F187 HydrophobicContact CG-CE1 4.11Å; L178-F187 HydrophobicContact CG-CZ 4.26Å
179	S	94.8	Very high	95.4	Very high	23 Å²	23	25.6 Å²	25.6	16%	0.161	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-74.2	-20.1	175	-49.7	0	0	0	0	112.6	A176 K177 K181 R189 D461	A176-S179 PolarHBondContact O-N 3.17Å; A176-S179 PolarHBondContact O-OG 2.81Å; K177-S179 VanDerWaalsContact C-N 3.29Å; K177-S179 PolarHBondContact O-N 2.92Å; S179-K181 WeakPolarHBondContact O-CE 3.45Å; S179-K181 WeakPolarHBondContact O-CG 3.3Å; S179-K181 PolarHBondContact O-N 3.48Å; S179-K181 VanDerWaalsContact O-N 3.12Å; S179-R189 PolarHBondContact OG-NH2 3.32Å; S179-D461 PolarHBondContact OG-OD2 2.94Å
180	D	95.2	Very high	95.2	Very high	63 Å²	63	26.2 Å²	26.2	34%	0.337	14%	0.139	S	C	.	.			trans	-69.4	103.4	-179.4	174.8	8.4	0	0	0	112.5	K177 L178 S182 R183 Y184	K177-D180 PolarHBondContact O-N 3.22Å; L178-D180 VanDerWaalsContact C-N 3.3Å; D180-S182 VanDerWaalsContact C-N 3.32Å; D180-S182 VanDerWaalsContact CG-OG 3.32Å; D180-S182 PolarHBondContact O-N 3.11Å; D180-S182 VanDerWaalsContact OD1-CB 3.3Å; D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 2.84Å; D180-S182 PolarHBondContact OD1-OG 3.46Å; D180-S182 PolarHBondContact OD2-OG 2.72Å; D180-R183 PolarHBondContact O-N 3.46Å; D180-R183 WeakPolarHBondContact OD2-CD 3.27Å; D180-R183 VanDerWaalsContact OD2-CG 3.24Å; D180-R183 WeakPolarHBondContact OD2-CG 3.5Å; D180-Y184 HydrophobicContact CB-CD2 4.45Å; D180-Y184 PolarHBondContact O-N 2.78Å
181	K	93.6	Very high	95.1	Very high	54 Å²	54	26.2 Å²	26.2	24%	0.235	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4.6	-180	-52.4	-48.1	172.5	-166.1	0	115.3	L178 S179 R183 Y184 F187 F459	L178-K181 PolarHBondContact O-NZ 3.22Å; S179-K181 WeakPolarHBondContact O-CE 3.45Å; S179-K181 WeakPolarHBondContact O-CG 3.3Å; S179-K181 PolarHBondContact O-N 3.48Å; S179-K181 VanDerWaalsContact O-N 3.12Å; K181-R183 VanDerWaalsContact C-N 3.34Å; K181-Y184 WeakPolarHBondContact CD-O 3.42Å; K181-F187 PolarHBondContact NZ-O 3.29Å; K181-F459 WeakPolarHBondContact CE-O 3.22Å; K181-F459 PolarHBondContact NZ-O 2.91Å
182	S	93.8	Very high	95.1	Very high	88 Å²	88	26.3 Å²	26.3	62%	0.615	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-29	160.8	76.2	0	0	0	0	111.3	R162 D180	R162-S182 PolarHBondContact NH2-O 2.86Å; D180-S182 VanDerWaalsContact C-N 3.32Å; D180-S182 VanDerWaalsContact CG-OG 3.32Å; D180-S182 PolarHBondContact O-N 3.11Å; D180-S182 VanDerWaalsContact OD1-CB 3.3Å; D180-S182 WeakPolarHBondContact OD1-CB 3.29Å; D180-S182 PolarHBondContact OD1-N 2.84Å; D180-S182 PolarHBondContact OD1-OG 3.46Å; D180-S182 PolarHBondContact OD2-OG 2.72Å
183	R	93.8	Very high	95.1	Very high	119 Å²	119	26.3 Å²	26.3	45%	0.449	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-37.1	-176.9	-66.8	-178.7	64.1	-173.4	-1.7	114.6	R162 D180 K181	R162-R183 WeakPolarHBondContact CD-O 3.34Å; R162-R183 PolarHBondContact NE-O 2.89Å; R162-R183 PolarHBondContact NH1-O 3.22Å; D180-R183 PolarHBondContact O-N 3.46Å; D180-R183 WeakPolarHBondContact OD2-CD 3.27Å; D180-R183 VanDerWaalsContact OD2-CG 3.24Å; D180-R183 WeakPolarHBondContact OD2-CG 3.5Å; K181-R183 VanDerWaalsContact C-N 3.34Å
184	Y	95.6	Very high	95	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.012	14%	0.139	C	C	.	.			trans	-121.4	58.6	-174	-50.6	-69.4	0	0	0	110.3	I155 A158 K177 L178 D180 K181 Y186 F187	I155-Y184 HydrophobicContact CG2-CE1 4.27Å; A158-Y184 HydrophobicContact CB-CD1 3.84Å; A158-Y184 HydrophobicContact CB-CE1 4.48Å; K177-Y184 VanDerWaalsContact O-CD2 3.26Å; K177-Y184 WeakPolarHBondContact O-CD2 3.48Å; K177-Y184 WeakPolarHBondContact O-CE2 3.46Å; L178-Y184 HydrophobicContact CD2-CD1 4.27Å; L178-Y184 HydrophobicContact CD2-CD2 4.44Å; L178-Y184 HydrophobicContact CD2-CE1 4.5Å; L178-Y184 HydrophobicContact CD2-CG 4.23Å; D180-Y184 HydrophobicContact CB-CD2 4.45Å; D180-Y184 PolarHBondContact O-N 2.78Å; K181-Y184 WeakPolarHBondContact CD-O 3.42Å; Y184-Y186 VanDerWaalsContact C-N 3.25Å; Y184-Y186 PolarHBondContact O-N 3.05Å; Y184-F187 PolarHBondContact O-N 3.36Å
185	D	94.3	Very high	94.9	Very high	31 Å²	31	30.1 Å²	30.1	17%	0.166	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.5	-169.7	46.8	-6.7	0	0	0	116	R162 Y431	R162-D185 WeakPolarHBondContact CB-OD1 3.36Å; R162-D185 IonicContact CZ-OD1 3.42Å; R162-D185 IonicContact CZ-OD2 2.81Å; R162-D185 IonicContact NE-OD1 2.73Å; R162-D185 PolarHBondContact NE-OD1 3.19Å; R162-D185 IonicContact NE-OD2 3.76Å; R162-D185 IonicContact NH2-OD1 3.5Å; R162-D185 PolarHBondContact NH2-OD1 3.11Å; R162-D185 IonicContact NH2-OD2 3.54Å; R162-D185 PolarHBondContact NH2-OD2 3.25Å; D185-Y431 WeakPolarHBondContact O-CD1 3.27Å; D185-Y431 WeakPolarHBondContact O-CE1 3.42Å
186	Y	96.5	Very high	94.9	Very high	22 Å²	22	34.1 Å²	34.1	9%	0.086	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	16	176.2	-50.4	-67.8	0	0	0	114	R162 Q165 P167 Q168 Y184 K428 Y431	R162-Y186 HydrophobicContact CB-CD2 3.89Å; R162-Y186 HydrophobicContact CB-CE2 4.36Å; Q165-Y186 HydrophobicContact CB-CE2 4.25Å; Q165-Y186 HydrophobicContact CG-CE2 4.22Å; P167-Y186 WeakPolarHBondContact CA-O 3.49Å; Q168-Y186 PolarHBondContact N-O 3.11Å; Y184-Y186 VanDerWaalsContact C-N 3.25Å; Y184-Y186 PolarHBondContact O-N 3.05Å; Y186-K428 HydrophobicContact CE1-CB 3.63Å; Y186-K428 HydrophobicContact CE1-CG 3.91Å; Y186-Y431 HydrophobicContact CD1-CD1 4.02Å; Y186-Y431 HydrophobicContact CD1-CG 4.03Å; Y186-Y431 WeakPolarHBondContact O-CE2 3.21Å
187	F	97.9	Very high	95	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.7	178	179.6	-87.1	0	0	0	111.8	A158 Q168 L178 K181 Y184 R189 Y431	A158-F187 HydrophobicContact CB-CD2 4.35Å; Q168-F187 HydrophobicContact CB-CD2 4.24Å; Q168-F187 HydrophobicContact CG-CD2 4.05Å; Q168-F187 HydrophobicContact CG-CE2 4.32Å; L178-F187 HydrophobicContact CB-CD1 3.86Å; L178-F187 HydrophobicContact CB-CE1 3.61Å; L178-F187 HydrophobicContact CB-CZ 4.25Å; L178-F187 HydrophobicContact CD1-CE1 4Å; L178-F187 HydrophobicContact CD1-CE2 4.38Å; L178-F187 HydrophobicContact CD1-CZ 3.77Å; L178-F187 HydrophobicContact CD2-CD1 4.08Å; L178-F187 HydrophobicContact CD2-CD2 4.13Å; L178-F187 HydrophobicContact CD2-CE1 4.08Å; L178-F187 HydrophobicContact CD2-CE2 4.11Å; L178-F187 HydrophobicContact CD2-CG 4.12Å; L178-F187 HydrophobicContact CD2-CZ 4.09Å; L178-F187 HydrophobicContact CG-CD1 4.45Å; L178-F187 HydrophobicContact CG-CE1 4.11Å; L178-F187 HydrophobicContact CG-CZ 4.26Å; K181-F187 PolarHBondContact NZ-O 3.29Å; Y184-F187 PolarHBondContact O-N 3.36Å; F187-R189 HydrophobicContact CE1-CB 4.09Å; F187-R189 HydrophobicContact CE1-CG 3.96Å; F187-R189 HydrophobicContact CZ-CB 4.19Å; F187-Y431 PolarHBondContact O-OH 3.02Å
188	A	97.8	Very high	95.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	173	167.8	0	0	0	0	0	110.8	Q168 I169 S170 Y431 L435 F456 G460	Q168-A188 PolarHBondContact O-N 3.26Å; I169-A188 CarbonylContact C-O 3.47Å; I169-A188 VanDerWaalsContact CA-O 3.3Å; I169-A188 WeakPolarHBondContact CA-O 3.35Å; S170-A188 PolarHBondContact N-O 2.84Å; A188-Y431 HydrophobicContact CB-CE2 4.01Å; A188-L435 HydrophobicContact CB-CD2 3.71Å; A188-F456 HydrophobicContact CB-CD2 4.41Å; A188-F456 HydrophobicContact CB-CE2 4.25Å; A188-F456 HydrophobicContact CB-CZ 4.37Å; A188-G460 CarbonylContact C-O 3.52Å; A188-G460 VanDerWaalsContact CA-O 3.23Å; A188-G460 WeakPolarHBondContact CA-O 3.46Å; A188-G460 WeakPolarHBondContact CB-O 3.49Å
189	R	97.4	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	144.8	176.8	49.6	177.3	170.5	-158.3	-6.3	112.8	S170 S173 T174 S175 S179 F187 V191 F456 G460 D461 G462	S170-R189 CarbonylContact O-C 3.47Å; S170-R189 WeakPolarHBondContact O-CA 3.2Å; S170-R189 VanDerWaalsContact O-CB 3.24Å; S170-R189 WeakPolarHBondContact O-CB 3.26Å; S173-R189 WeakPolarHBondContact O-CD 3.44Å; S173-R189 PolarHBondContact O-NH1 3.4Å; T174-R189 PolarHBondContact O-NH1 3.17Å; T174-R189 VanDerWaalsContact O-NH1 3.17Å; S175-R189 PolarHBondContact O-NH1 3.48Å; S179-R189 PolarHBondContact OG-NH2 3.32Å; F187-R189 HydrophobicContact CE1-CB 4.09Å; F187-R189 HydrophobicContact CE1-CG 3.96Å; F187-R189 HydrophobicContact CZ-CB 4.19Å; R189-V191 HydrophobicContact CB-CG2 4.19Å; R189-V191 VanDerWaalsContact CD-O 3.26Å; R189-V191 WeakPolarHBondContact CD-O 3.15Å; R189-V191 VanDerWaalsContact CG-O 3.26Å; R189-V191 WeakPolarHBondContact CG-O 3.4Å; R189-V191 PolarHBondContact O-N 2.98Å; R189-F456 WeakPolarHBondContact O-CD1 3.5Å; R189-F456 WeakPolarHBondContact O-CE1 3.41Å; R189-G460 PolarHBondContact N-O 2.87Å; R189-D461 IonicContact CZ-OD1 3.8Å; R189-D461 VanDerWaalsContact CZ-OD1 3.24Å; R189-D461 IonicContact CZ-OD2 2.71Å; R189-D461 IonicContact NE-OD1 3.3Å; R189-D461 PolarHBondContact NE-OD1 3.38Å; R189-D461 IonicContact NE-OD2 2.64Å; R189-D461 IonicContact NH2-OD1 2.69Å; R189-D461 PolarHBondContact NH2-OD1 3.32Å; R189-D461 IonicContact NH2-OD2 2.7Å; R189-D461 PolarHBondContact NH2-OD2 3.27Å; R189-G462 PolarHBondContact O-N 3.49Å
190	T	96.1	Very high	95.4	Very high	12 Å²	12	30 Å²	30	7%	0.074	14%	0.143	C	C	.	.	S	Bend	trans	-79.6	-0.7	175.1	47	0	0	0	0	113.6	I169 S170 F392 N395 A396 F456	I169-T190 HydrophobicContact CG2-CG2 4.19Å; S170-T190 PolarHBondContact O-N 3.46Å; S170-T190 PolarHBondContact O-OG1 2.8Å; T190-F392 VanDerWaalsContact O-CD1 3.24Å; T190-F392 WeakPolarHBondContact O-CD1 3.24Å; T190-F392 PolarHBondContact OG1-O 3.44Å; T190-N395 HydrophobicContact CG2-CB 4.02Å; T190-A396 HydrophobicContact CG2-CB 3.94Å; T190-F456 HydrophobicContact CG2-CE1 4.06Å; T190-F456 HydrophobicContact CG2-CZ 4.29Å
191	V	95.4	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-114.9	151.5	178.7	-62.3	0	0	0	0	111.4	Y171 T174 R189 L325 F392 G462	Y171-V191 VanDerWaalsContact O-CG1 3.28Å; Y171-V191 WeakPolarHBondContact O-CG1 3.26Å; T174-V191 HydrophobicContact CG2-CB 4.31Å; T174-V191 HydrophobicContact CG2-CG2 3.91Å; R189-V191 HydrophobicContact CB-CG2 4.19Å; R189-V191 VanDerWaalsContact CD-O 3.26Å; R189-V191 WeakPolarHBondContact CD-O 3.15Å; R189-V191 VanDerWaalsContact CG-O 3.26Å; R189-V191 WeakPolarHBondContact CG-O 3.4Å; R189-V191 PolarHBondContact O-N 2.98Å; V191-L325 HydrophobicContact CB-CD1 3.86Å; V191-L325 HydrophobicContact CG1-CD1 3.44Å; V191-L325 VanDerWaalsContact CG1-CD1 3.44Å; V191-F392 HydrophobicContact CG1-CB 3.93Å; V191-F392 HydrophobicContact CG1-CD1 3.82Å; V191-F392 HydrophobicContact CG1-CD2 3.89Å; V191-F392 HydrophobicContact CG1-CE1 4.33Å; V191-F392 HydrophobicContact CG1-CE2 4.42Å; V191-F392 HydrophobicContact CG1-CG 3.6Å; V191-G462 PolarHBondContact O-N 2.66Å
192	P	95.3	Very high	95.7	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.013	12%	0.116	C	C	.	.			trans	-74.5	163.6	178.2	29.8	-37.3	0	0	0	114.5	T174 Y196 L325 G462 Y466	T174-P192 WeakPolarHBondContact CG2-O 3.28Å; P192-Y196 HydrophobicContact CB-CD2 4.03Å; P192-L325 HydrophobicContact CG-CD2 3.64Å; P192-G462 WeakPolarHBondContact CA-O 3.47Å; P192-G462 WeakPolarHBondContact CB-O 3.19Å; P192-Y466 WeakPolarHBondContact CG-OH 3.47Å
193	P	95.3	Very high	95.8	Very high	12 Å²	12	22 Å²	22	8%	0.078	10%	0.095	C	C	.	.			trans	-70	148.4	168.8	25.5	-32.6	0	0	0	113.9	T174 F195 Y196	T174-P193 CarbonylContact O-C 3.55Å; T174-P193 VanDerWaalsContact O-CA 3.22Å; T174-P193 WeakPolarHBondContact O-CA 3.28Å; P193-F195 PolarHBondContact O-N 2.78Å; P193-Y196 HydrophobicContact CG-CD2 3.66Å; P193-Y196 HydrophobicContact CG-CE2 3.63Å; P193-Y196 PolarHBondContact O-N 2.67Å; P193-Y196 VanDerWaalsContact O-N 3.13Å
194	D	93.7	Very high	96	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-55.8	-21.4	178.6	-68.4	-38.7	0	0	0	114.3	T174 S175 Y196 Q197 A198 Y222 F275	T174-D194 WeakPolarHBondContact CB-OD1 3.47Å; T174-D194 VanDerWaalsContact O-CG 3.31Å; T174-D194 PolarHBondContact O-N 3.11Å; T174-D194 VanDerWaalsContact OG1-CG 3.28Å; T174-D194 PolarHBondContact OG1-OD1 3.48Å; T174-D194 PolarHBondContact OG1-OD2 3.28Å; S175-D194 WeakPolarHBondContact CA-OD2 3.38Å; S175-D194 PolarHBondContact N-OD2 3.25Å; D194-Y196 VanDerWaalsContact C-N 3.25Å; D194-Y196 PolarHBondContact O-N 3.19Å; D194-Q197 WeakPolarHBondContact O-CA 3.38Å; D194-Q197 WeakPolarHBondContact O-CB 3.24Å; D194-Q197 PolarHBondContact O-N 2.87Å; D194-A198 WeakPolarHBondContact O-CB 3.1Å; D194-A198 PolarHBondContact O-N 3.15Å; D194-Y222 WeakPolarHBondContact OD1-CE2 3.43Å; D194-Y222 WeakPolarHBondContact OD2-CD2 3.41Å; D194-F275 HydrophobicContact CB-CE1 4.26Å
195	F	92.4	Very high	96.1	Very high	81 Å²	81	16.1 Å²	16.1	36%	0.355	7%	0.073	S	C	.	.	H	α-helix	trans	-57.1	-37.5	175.3	177.8	-104.2	0	0	0	112.5	P193 Q197 K199 A229 E233	P193-F195 PolarHBondContact O-N 2.78Å; F195-Q197 VanDerWaalsContact C-N 3.35Å; F195-K199 WeakPolarHBondContact O-CB 3.11Å; F195-K199 PolarHBondContact O-N 3.23Å; F195-A229 HydrophobicContact CD2-CB 4.35Å; F195-E233 HydrophobicContact CE2-CG 4.11Å
196	Y	94.4	Very high	96.2	Very high	84 Å²	84	20.7 Å²	20.7	33%	0.329	9%	0.088	S	C	.	.	H	α-helix	trans	-70.2	-32.8	175.7	-64.5	-62.9	0	0	0	112.3	P192 P193 D194 A200 W486	P192-Y196 HydrophobicContact CB-CD2 4.03Å; P193-Y196 HydrophobicContact CG-CD2 3.66Å; P193-Y196 HydrophobicContact CG-CE2 3.63Å; P193-Y196 PolarHBondContact O-N 2.67Å; P193-Y196 VanDerWaalsContact O-N 3.13Å; D194-Y196 VanDerWaalsContact C-N 3.25Å; D194-Y196 PolarHBondContact O-N 3.19Å; Y196-A200 WeakPolarHBondContact O-CB 3.26Å; Y196-A200 PolarHBondContact O-N 2.88Å; Y196-W486 AromaticContact CD1-CH2 3.93Å; Y196-W486 HydrophobicContact CD1-CH2 3.93Å; Y196-W486 HydrophobicContact CD1-CZ3 4.32Å
197	Q	95.4	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.5	-45.8	174.8	-168.3	174.6	68.6	0	0	111.2	D194 F195 K199 A200 M201 F275 S300 D301 L323 Y466	D194-Q197 WeakPolarHBondContact O-CA 3.38Å; D194-Q197 WeakPolarHBondContact O-CB 3.24Å; D194-Q197 PolarHBondContact O-N 2.87Å; F195-Q197 VanDerWaalsContact C-N 3.35Å; Q197-K199 PolarHBondContact O-N 3.43Å; Q197-A200 PolarHBondContact O-N 3.45Å; Q197-M201 HydrophobicContact CG-SD 3.99Å; Q197-M201 VanDerWaalsContact O-CG 3.27Å; Q197-M201 WeakPolarHBondContact O-CG 3.41Å; Q197-M201 PolarHBondContact O-N 3.04Å; Q197-F275 HydrophobicContact CB-CZ 4.2Å; Q197-F275 HydrophobicContact CG-CZ 4.05Å; Q197-S300 VanDerWaalsContact OE1-CB 3.27Å; Q197-D301 VanDerWaalsContact NE2-N 3.11Å; Q197-D301 PolarHBondContact NE2-OD1 3.13Å; Q197-L323 HydrophobicContact CG-CD2 4.16Å; Q197-Y466 HydrophobicContact CB-CE1 3.88Å; Q197-Y466 HydrophobicContact CB-CE2 4.34Å; Q197-Y466 HydrophobicContact CG-CE1 3.97Å; Q197-Y466 PolarHBondContact N-OH 3.29Å
198	A	96.5	Very high	96	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.3	-48.1	173.4	0	0	0	0	0	111.9	D194 M201 A202 A229 F230 F275	D194-A198 WeakPolarHBondContact O-CB 3.1Å; D194-A198 PolarHBondContact O-N 3.15Å; A198-M201 PolarHBondContact O-N 2.88Å; A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.49Å; A198-A229 HydrophobicContact CB-CB 3.79Å; A198-F230 HydrophobicContact CB-CB 3.97Å; A198-F275 HydrophobicContact CB-CZ 4.34Å
199	K	96.1	Very high	95.9	Very high	55 Å²	55	30.6 Å²	30.6	24%	0.239	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-49.4	173.5	177	175.2	174.2	-160.6	0	111.9	F195 Q197 M201 A202 E203 E233 W486 E488	F195-K199 WeakPolarHBondContact O-CB 3.11Å; F195-K199 PolarHBondContact O-N 3.23Å; Q197-K199 PolarHBondContact O-N 3.43Å; K199-M201 VanDerWaalsContact C-N 3.34Å; K199-M201 PolarHBondContact O-N 3.07Å; K199-A202 PolarHBondContact O-N 2.94Å; K199-E203 WeakPolarHBondContact CE-OE1 3.37Å; K199-E203 WeakPolarHBondContact CG-OE1 3.45Å; K199-E203 IonicContact NZ-OE1 2.66Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 3.12Å; K199-E233 HydrophobicContact CB-CG 4.23Å; K199-W486 HydrophobicContact CD-CH2 4.36Å; K199-W486 HydrophobicContact CD-CZ2 3.79Å; K199-W486 HydrophobicContact CG-CZ2 4.02Å; K199-E488 PolarHBondContact NZ-O 3.27Å
200	A	96.8	Very high	95.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-40.3	179.3	0	0	0	0	0	112.7	Y196 Q197 E203 I204 L323 W486	Y196-A200 WeakPolarHBondContact O-CB 3.26Å; Y196-A200 PolarHBondContact O-N 2.88Å; Q197-A200 PolarHBondContact O-N 3.45Å; A200-E203 PolarHBondContact O-N 3.24Å; A200-I204 WeakPolarHBondContact O-CG1 3.37Å; A200-I204 PolarHBondContact O-N 3.05Å; A200-L323 HydrophobicContact CB-CD2 3.67Å; A200-W486 HydrophobicContact CB-CB 4.07Å; A200-W486 HydrophobicContact CB-CD2 3.75Å; A200-W486 HydrophobicContact CB-CE3 4.46Å; A200-W486 HydrophobicContact CB-CG 3.52Å
201	M	97.7	Very high	95.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-43	176.6	-68.6	170.6	84.1	0	0	111.8	Q197 A198 K199 E203 I204 L205 F230 V273 F275 V298 L323	Q197-M201 HydrophobicContact CG-SD 3.99Å; Q197-M201 VanDerWaalsContact O-CG 3.27Å; Q197-M201 WeakPolarHBondContact O-CG 3.41Å; Q197-M201 PolarHBondContact O-N 3.04Å; A198-M201 PolarHBondContact O-N 2.88Å; K199-M201 VanDerWaalsContact C-N 3.34Å; K199-M201 PolarHBondContact O-N 3.07Å; M201-E203 VanDerWaalsContact C-N 3.27Å; M201-E203 PolarHBondContact O-N 3.15Å; M201-I204 PolarHBondContact O-N 2.93Å; M201-L205 WeakPolarHBondContact O-CD1 3.43Å; M201-L205 PolarHBondContact O-N 3.5Å; M201-F230 HydrophobicContact CB-CD2 4.03Å; M201-F230 HydrophobicContact CB-CE2 4.24Å; M201-V273 HydrophobicContact CE-CG1 3.86Å; M201-F275 HydrophobicContact CE-CD2 4.43Å; M201-F275 HydrophobicContact CE-CE2 4.24Å; M201-F275 HydrophobicContact SD-CD2 4.22Å; M201-F275 HydrophobicContact SD-CE2 3.47Å; M201-F275 WeakPolarHBondContact SD-CE2 3.32Å; M201-F275 HydrophobicContact SD-CZ 3.92Å; M201-V298 HydrophobicContact CE-CG1 4.01Å; M201-V298 WeakPolarHBondContact CE-O 3.46Å; M201-V298 HydrophobicContact CG-CG1 4.47Å; M201-L323 HydrophobicContact CG-CD1 3.59Å; M201-L323 HydrophobicContact CG-CD2 3.67Å; M201-L323 HydrophobicContact CG-CG 4.27Å; M201-L323 HydrophobicContact SD-CD1 4.42Å
202	A	97.3	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-31.8	175	0	0	0	0	0	112.5	A198 K199 R206 F230 E233	A198-A202 WeakPolarHBondContact O-CB 3.4Å; A198-A202 PolarHBondContact O-N 3.49Å; K199-A202 PolarHBondContact O-N 2.94Å; A202-R206 WeakPolarHBondContact O-CB 3.22Å; A202-R206 PolarHBondContact O-N 3.48Å; A202-F230 HydrophobicContact CB-CD2 4.39Å; A202-F230 HydrophobicContact CB-CE2 4.21Å; A202-E233 HydrophobicContact CB-CB 3.72Å
203	E	96.8	Very high	95.8	Very high	37 Å²	37	32.4 Å²	32.4	17%	0.173	15%	0.146	C	C	.	.	H	α-helix	trans	-72.4	-36.1	173.7	-77.2	167.5	-169.2	0	0	113	K199 A200 M201 R206 F207 R237 W486 L490	K199-E203 WeakPolarHBondContact CE-OE1 3.37Å; K199-E203 WeakPolarHBondContact CG-OE1 3.45Å; K199-E203 IonicContact NZ-OE1 2.66Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 3.12Å; A200-E203 PolarHBondContact O-N 3.24Å; M201-E203 VanDerWaalsContact C-N 3.27Å; M201-E203 PolarHBondContact O-N 3.15Å; E203-R206 PolarHBondContact O-N 3.24Å; E203-F207 WeakPolarHBondContact O-CB 3.45Å; E203-F207 PolarHBondContact O-N 2.88Å; E203-R237 IonicContact OE1-CZ 2.67Å; E203-R237 IonicContact OE1-NE 2.69Å; E203-R237 IonicContact OE1-NH2 2.68Å; E203-R237 PolarHBondContact OE1-NH2 3.33Å; E203-W486 PolarHBondContact OE2-NE1 2.87Å; E203-L490 HydrophobicContact CB-CB 4.46Å; E203-L490 HydrophobicContact CB-CD2 4.18Å
204	I	97.1	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-46.1	172.1	-71	161.9	0	0	0	110.7	A200 M201 R206 F207 F208 I321 L323 V468 L490	A200-I204 WeakPolarHBondContact O-CG1 3.37Å; A200-I204 PolarHBondContact O-N 3.05Å; M201-I204 PolarHBondContact O-N 2.93Å; I204-R206 PolarHBondContact O-N 2.84Å; I204-F207 WeakPolarHBondContact O-CB 3.42Å; I204-F207 PolarHBondContact O-N 3.48Å; I204-F208 HydrophobicContact CG2-CD2 4.14Å; I204-F208 HydrophobicContact CG2-CE2 4.09Å; I204-F208 VanDerWaalsContact O-CD2 3.3Å; I204-F208 WeakPolarHBondContact O-CD2 3.49Å; I204-F208 PolarHBondContact O-N 2.93Å; I204-I321 HydrophobicContact CG2-CD1 4.41Å; I204-I321 HydrophobicContact CG2-CG2 4.49Å; I204-L323 HydrophobicContact CD1-CD1 3.79Å; I204-L323 HydrophobicContact CD1-CD2 4.42Å; I204-L323 HydrophobicContact CD1-CG 4.27Å; I204-V468 HydrophobicContact CD1-CG1 4.19Å; I204-V468 HydrophobicContact CD1-CG2 4.13Å; I204-L490 HydrophobicContact CB-CD2 4.36Å; I204-L490 HydrophobicContact CD1-CD1 4.3Å; I204-L490 HydrophobicContact CG1-CD1 3.74Å; I204-L490 HydrophobicContact CG1-CD2 3.69Å; I204-L490 HydrophobicContact CG1-CG 4.4Å
205	L	97.4	Very high	96.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.7	-90.4	53.3	0	0	0	111.9	M201 F207 F208 N209 W210 V213 F230 I239 V271 V273 V298	M201-L205 WeakPolarHBondContact O-CD1 3.43Å; M201-L205 PolarHBondContact O-N 3.5Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 2.87Å; L205-F208 PolarHBondContact O-N 3.02Å; L205-N209 PolarHBondContact O-N 2.78Å; L205-W210 HydrophobicContact CB-CB 4.39Å; L205-W210 HydrophobicContact CB-CE3 4.42Å; L205-W210 HydrophobicContact CD1-CE3 3.83Å; L205-W210 HydrophobicContact CD1-CZ3 4.19Å; L205-W210 HydrophobicContact CG-CB 4.32Å; L205-W210 HydrophobicContact CG-CE3 3.9Å; L205-W210 PolarHBondContact O-N 3.23Å; L205-V213 HydrophobicContact CD2-CB 4.35Å; L205-V213 HydrophobicContact CD2-CG1 3.76Å; L205-V213 HydrophobicContact CD2-CG2 3.99Å; L205-V213 HydrophobicContact CG-CG1 4.23Å; L205-F230 HydrophobicContact CD2-CE2 3.9Å; L205-F230 HydrophobicContact CD2-CZ 3.58Å; L205-I239 HydrophobicContact CB-CD1 3.84Å; L205-I239 HydrophobicContact CD2-CG2 4.37Å; L205-V271 HydrophobicContact CD1-CG1 4.36Å; L205-V273 HydrophobicContact CD1-CG2 4.36Å; L205-V273 HydrophobicContact CD2-CG2 3.89Å; L205-V298 HydrophobicContact CD1-CB 4.27Å; L205-V298 HydrophobicContact CD1-CG1 3.97Å; L205-V298 HydrophobicContact CD1-CG2 3.99Å
206	R	96	Very high	96.3	Very high	127 Å²	127	28.1 Å²	28.1	48%	0.479	13%	0.126	S	C	.	.	H	α-helix	trans	-64.5	-37.2	177	-178.7	60.2	-171.8	177.5	9.4	112.3	A202 E203 I204 F208 N209	A202-R206 WeakPolarHBondContact O-CB 3.22Å; A202-R206 PolarHBondContact O-N 3.48Å; E203-R206 PolarHBondContact O-N 3.24Å; I204-R206 PolarHBondContact O-N 2.84Å; R206-F208 VanDerWaalsContact C-N 3.34Å; R206-F208 PolarHBondContact O-N 2.86Å; R206-N209 PolarHBondContact O-N 3.02Å
207	F	96.1	Very high	96.3	Very high	99 Å²	99	24.1 Å²	24.1	43%	0.434	11%	0.11	S	C	.	.	H	α-helix	trans	-62.3	-38.4	177.8	-177.3	-84.6	0	0	0	112.4	E203 I204 L205 N209 L490 L492 V494	E203-F207 WeakPolarHBondContact O-CB 3.45Å; E203-F207 PolarHBondContact O-N 2.88Å; I204-F207 WeakPolarHBondContact O-CB 3.42Å; I204-F207 PolarHBondContact O-N 3.48Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 2.87Å; F207-N209 VanDerWaalsContact C-N 3.34Å; F207-L490 HydrophobicContact CB-CD2 4.14Å; F207-L492 HydrophobicContact CD1-CD1 3.92Å; F207-L492 HydrophobicContact CE1-CD1 4.16Å; F207-L492 HydrophobicContact CG-CD1 4.28Å; F207-V494 HydrophobicContact CE1-CG2 3.55Å; F207-V494 HydrophobicContact CZ-CG2 3.59Å
208	F	95.2	Very high	96.1	Very high	21 Å²	21	24.2 Å²	24.2	9%	0.092	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9.2	176.2	-65.2	-63.9	0	0	0	114.5	I204 L205 R206 W210 I321 L492 V494 I497 W499 V504	I204-F208 HydrophobicContact CG2-CD2 4.14Å; I204-F208 HydrophobicContact CG2-CE2 4.09Å; I204-F208 VanDerWaalsContact O-CD2 3.3Å; I204-F208 WeakPolarHBondContact O-CD2 3.49Å; I204-F208 PolarHBondContact O-N 2.93Å; L205-F208 PolarHBondContact O-N 3.02Å; R206-F208 VanDerWaalsContact C-N 3.34Å; R206-F208 PolarHBondContact O-N 2.86Å; F208-W210 HydrophobicContact CB-CD2 3.66Å; F208-W210 VanDerWaalsContact CB-CE2 3.44Å; F208-W210 HydrophobicContact CB-CE3 4.1Å; F208-W210 HydrophobicContact CB-CG 4.14Å; F208-W210 HydrophobicContact CB-CH2 4.13Å; F208-W210 HydrophobicContact CB-CZ2 3.7Å; F208-W210 HydrophobicContact CB-CZ3 4.32Å; F208-W210 HydrophobicContact CD2-CE3 4.36Å; F208-W210 AromaticContact CD2-CH2 3.62Å; F208-W210 HydrophobicContact CD2-CH2 3.62Å; F208-W210 AromaticContact CD2-CZ2 3.99Å; F208-W210 HydrophobicContact CD2-CZ2 3.99Å; F208-W210 AromaticContact CD2-CZ3 3.84Å; F208-W210 HydrophobicContact CD2-CZ3 3.84Å; F208-W210 HydrophobicContact CE2-CH2 4.33Å; F208-W210 HydrophobicContact CG-CH2 4.02Å; F208-W210 AromaticContact CG-CZ2 3.88Å; F208-W210 HydrophobicContact CG-CZ2 3.88Å; F208-W210 HydrophobicContact CG-CZ3 4.42Å; F208-W210 PolarHBondContact O-N 2.86Å; F208-I321 HydrophobicContact CE2-CD1 3.95Å; F208-L492 HydrophobicContact CE2-CD1 3.85Å; F208-L492 HydrophobicContact CZ-CD1 3.93Å; F208-V494 HydrophobicContact CE1-CG1 4.38Å; F208-I497 HydrophobicContact CZ-CD1 3.8Å; F208-W499 HydrophobicContact CD1-CH2 4.14Å; F208-W499 HydrophobicContact CD1-CZ2 4.13Å; F208-W499 HydrophobicContact CD2-CH2 4.24Å; F208-W499 AromaticContact CE1-CH2 3.9Å; F208-W499 HydrophobicContact CE1-CH2 3.9Å; F208-W499 AromaticContact CE1-CZ2 3.64Å; F208-W499 HydrophobicContact CE1-CZ2 3.64Å; F208-W499 AromaticContact CE2-CH2 4Å; F208-W499 HydrophobicContact CE2-CH2 4Å; F208-W499 HydrophobicContact CE2-CZ2 4.48Å; F208-W499 HydrophobicContact CG-CH2 4.32Å; F208-W499 AromaticContact CZ-CH2 3.83Å; F208-W499 HydrophobicContact CZ-CH2 3.83Å; F208-W499 AromaticContact CZ-CZ2 3.85Å; F208-W499 HydrophobicContact CZ-CZ2 3.85Å; F208-V504 HydrophobicContact CB-CG1 4.25Å; F208-V504 HydrophobicContact CD1-CG1 3.95Å; F208-V504 HydrophobicContact CD1-CG2 4.47Å; F208-V504 HydrophobicContact CG-CG1 4.37Å
209	N	94.6	Very high	95.6	Very high	111 Å²	111	27.4 Å²	27.4	59%	0.594	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	32.8	-175.9	-63.1	-56.1	0	0	0	114.4	L205 R206 F207 T211	L205-N209 PolarHBondContact O-N 2.78Å; R206-N209 PolarHBondContact O-N 3.02Å; F207-N209 VanDerWaalsContact C-N 3.34Å; N209-T211 PolarHBondContact O-N 2.95Å
210	W	95.8	Very high	95.1	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	13%	0.125	C	C	.	.			trans	-80.7	108.4	175.3	-61.8	-28.1	0	0	0	110.5	L205 F208 V213 V271 T296 V298 I321 W499 V504 P505	L205-W210 HydrophobicContact CB-CB 4.39Å; L205-W210 HydrophobicContact CB-CE3 4.42Å; L205-W210 HydrophobicContact CD1-CE3 3.83Å; L205-W210 HydrophobicContact CD1-CZ3 4.19Å; L205-W210 HydrophobicContact CG-CB 4.32Å; L205-W210 HydrophobicContact CG-CE3 3.9Å; L205-W210 PolarHBondContact O-N 3.23Å; F208-W210 HydrophobicContact CB-CD2 3.66Å; F208-W210 VanDerWaalsContact CB-CE2 3.44Å; F208-W210 HydrophobicContact CB-CE3 4.1Å; F208-W210 HydrophobicContact CB-CG 4.14Å; F208-W210 HydrophobicContact CB-CH2 4.13Å; F208-W210 HydrophobicContact CB-CZ2 3.7Å; F208-W210 HydrophobicContact CB-CZ3 4.32Å; F208-W210 HydrophobicContact CD2-CE3 4.36Å; F208-W210 AromaticContact CD2-CH2 3.62Å; F208-W210 HydrophobicContact CD2-CH2 3.62Å; F208-W210 AromaticContact CD2-CZ2 3.99Å; F208-W210 HydrophobicContact CD2-CZ2 3.99Å; F208-W210 AromaticContact CD2-CZ3 3.84Å; F208-W210 HydrophobicContact CD2-CZ3 3.84Å; F208-W210 HydrophobicContact CE2-CH2 4.33Å; F208-W210 HydrophobicContact CG-CH2 4.02Å; F208-W210 AromaticContact CG-CZ2 3.88Å; F208-W210 HydrophobicContact CG-CZ2 3.88Å; F208-W210 HydrophobicContact CG-CZ3 4.42Å; F208-W210 PolarHBondContact O-N 2.86Å; W210-V213 HydrophobicContact CB-CG1 4.27Å; W210-V271 HydrophobicContact CD2-CG2 3.54Å; W210-V271 HydrophobicContact CE3-CB 4.43Å; W210-V271 HydrophobicContact CE3-CG1 3.94Å; W210-V271 HydrophobicContact CE3-CG2 3.73Å; W210-V271 HydrophobicContact CG-CG2 3.92Å; W210-V271 HydrophobicContact CH2-CG2 4.4Å; W210-V271 HydrophobicContact CZ2-CG2 4.22Å; W210-V271 HydrophobicContact CZ3-CG1 4.26Å; W210-V271 HydrophobicContact CZ3-CG2 4.17Å; W210-T296 HydrophobicContact CH2-CG2 4.18Å; W210-T296 HydrophobicContact CZ2-CG2 4.5Å; W210-V298 HydrophobicContact CZ3-CG2 3.93Å; W210-I321 HydrophobicContact CH2-CD1 4.18Å; W210-W499 AromaticContact CH2-CH2 3.73Å; W210-W499 HydrophobicContact CH2-CH2 3.73Å; W210-W499 AromaticContact CH2-CZ3 3.66Å; W210-W499 HydrophobicContact CH2-CZ3 3.66Å; W210-W499 AromaticContact CZ2-CH2 3.72Å; W210-W499 HydrophobicContact CZ2-CH2 3.72Å; W210-W499 AromaticContact CZ2-CZ3 3.64Å; W210-W499 HydrophobicContact CZ2-CZ3 3.64Å; W210-V504 HydrophobicContact CZ2-CG1 4.14Å; W210-P505 HydrophobicContact CZ2-CG 3.81Å; W210-P505 PolarHBondContact NE1-O 2.04Å
211	T	93.9	Very high	94.6	Very high	34 Å²	34	27.8 Å²	27.8	21%	0.209	14%	0.136	C	C	.	.			trans	-104.9	-12.2	-173.7	56.1	0	0	0	0	114.1	N209 C240 S507 Q508	N209-T211 PolarHBondContact O-N 2.95Å; T211-C240 PolarHBondContact O-N 2.93Å; T211-S507 PolarHBondContact N-O 3.37Å; T211-Q508 WeakPolarHBondContact OG1-CB 3.42Å
212	Y	95.4	Very high	94.3	Very high	16 Å²	16	29.2 Å²	29.2	6%	0.063	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.7	178.8	-165.3	-120.1	0	0	0	110.2	C240 A242 N268 A269 S507 C509	Y212-C240 WeakPolarHBondContact CA-O 3.21Å; Y212-C240 HydrophobicContact CD2-CB 4.1Å; Y212-A242 HydrophobicContact CD1-CB 3.91Å; Y212-A242 HydrophobicContact CD2-CB 4.19Å; Y212-A242 HydrophobicContact CE1-CB 3.38Å; Y212-A242 HydrophobicContact CE2-CB 3.73Å; Y212-A242 HydrophobicContact CG-CB 4.29Å; Y212-N268 HydrophobicContact CD1-CB 4.19Å; Y212-N268 HydrophobicContact CE1-CB 4.31Å; Y212-A269 HydrophobicContact CD1-CB 3.89Å; Y212-A269 HydrophobicContact CE1-CB 4.16Å; Y212-S507 PolarHBondContact N-O 2.84Å; Y212-S507 CarbonylContact O-C 3.52Å; Y212-S507 WeakPolarHBondContact O-CB 3.32Å; Y212-S507 PolarHBondContact O-OG 2.8Å; Y212-C509 VanDerWaalsContact CB-N 3.32Å; Y212-C509 HydrophobicContact CD1-CB 3.96Å; Y212-C509 HydrophobicContact CD2-CB 3.66Å; Y212-C509 HydrophobicContact CE1-CB 4.2Å; Y212-C509 HydrophobicContact CE2-CB 3.91Å; Y212-C509 HydrophobicContact CG-CB 3.67Å
213	V	97.3	Very high	94.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.9	-171.9	-54.6	0	0	0	0	111.1	L205 W210 F230 I239 C240 I241 A242 V271 V273	L205-V213 HydrophobicContact CD2-CB 4.35Å; L205-V213 HydrophobicContact CD2-CG1 3.76Å; L205-V213 HydrophobicContact CD2-CG2 3.99Å; L205-V213 HydrophobicContact CG-CG1 4.23Å; W210-V213 HydrophobicContact CB-CG1 4.27Å; V213-F230 HydrophobicContact CG2-CZ 4.45Å; V213-I239 HydrophobicContact CG1-CG2 4.33Å; V213-I239 HydrophobicContact CG2-CG2 4.03Å; V213-C240 PolarHBondContact N-O 2.87Å; V213-C240 VanDerWaalsContact N-O 3.08Å; V213-I241 CarbonylContact O-C 3.58Å; V213-I241 VanDerWaalsContact O-CA 3.32Å; V213-I241 WeakPolarHBondContact O-CA 3.24Å; V213-A242 PolarHBondContact O-N 3.32Å; V213-V271 HydrophobicContact CB-CB 4.41Å; V213-V271 HydrophobicContact CB-CG1 4.45Å; V213-V271 HydrophobicContact CG1-CB 3.94Å; V213-V271 HydrophobicContact CG1-CG1 4.02Å; V213-V273 HydrophobicContact CG2-CG2 4.35Å
214	S	97.6	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.1	171.4	-56.4	0	0	0	0	110.9	T243 A269 V271 V272 V273	S214-T243 WeakPolarHBondContact CA-O 3.23Å; S214-A269 WeakPolarHBondContact OG-CB 3.35Å; S214-V271 PolarHBondContact N-O 2.99Å; S214-V272 CarbonylContact O-C 3.53Å; S214-V272 WeakPolarHBondContact O-CA 3.26Å; S214-V273 PolarHBondContact O-N 2.88Å
215	T	97.6	Very high	93.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.5	178.3	56.1	0	0	0	0	111.8	I227 F230 I241 T243 A244 E245 V273	T215-I227 HydrophobicContact CG2-CD1 3.81Å; T215-I227 HydrophobicContact CG2-CG1 4.13Å; T215-F230 HydrophobicContact CG2-CD1 4.03Å; T215-F230 HydrophobicContact CG2-CE1 3.72Å; T215-I241 HydrophobicContact CG2-CD1 4.4Å; T215-I241 HydrophobicContact CG2-CG1 4.41Å; T215-I241 HydrophobicContact CG2-CG2 4.06Å; T215-T243 PolarHBondContact N-O 3.44Å; T215-A244 VanDerWaalsContact OG1-CA 3.28Å; T215-A244 WeakPolarHBondContact OG1-CA 3.46Å; T215-A244 VanDerWaalsContact OG1-CB 3.27Å; T215-A244 WeakPolarHBondContact OG1-CB 3.26Å; T215-E245 PolarHBondContact O-N 2.87Å; T215-V273 WeakPolarHBondContact CA-O 3.5Å; T215-V273 HydrophobicContact CG2-CB 4.3Å
216	V	96.3	Very high	93.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.2	169.6	-164.2	0	0	0	0	110.1	E245 V259 L263 V272 V273 L274 F275 M276 L284	V216-E245 CarbonylContact C-O 3.54Å; V216-E245 VanDerWaalsContact CA-O 3.31Å; V216-E245 WeakPolarHBondContact CA-O 3.3Å; V216-E245 HydrophobicContact CG1-CB 4.25Å; V216-E245 HydrophobicContact CG2-CB 4.4Å; V216-V259 HydrophobicContact CG1-CG1 3.96Å; V216-V259 HydrophobicContact CG2-CG1 4.05Å; V216-L263 HydrophobicContact CG2-CD1 4.09Å; V216-L263 HydrophobicContact CG2-CD2 4.26Å; V216-V272 HydrophobicContact CG2-CG1 3.87Å; V216-V273 PolarHBondContact N-O 3.37Å; V216-L274 HydrophobicContact CB-CD2 3.75Å; V216-L274 HydrophobicContact CG2-CD2 3.95Å; V216-L274 WeakPolarHBondContact O-CA 3.47Å; V216-F275 PolarHBondContact O-N 3Å; V216-M276 HydrophobicContact CB-SD 3.9Å; V216-M276 HydrophobicContact CG1-SD 3.63Å; V216-L284 HydrophobicContact CB-CD2 4.37Å; V216-L284 HydrophobicContact CG1-CD2 4.12Å; V216-L284 HydrophobicContact CG2-CD2 4.4Å
217	A	95.1	Very high	93.4	Very high	1 Å²	1	25 Å²	25	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.3	-178.3	0	0	0	0	0	114.1	I227 E245 K246 V247 F275	A217-I227 HydrophobicContact CB-CB 3.94Å; A217-I227 HydrophobicContact CB-CG1 4.46Å; A217-I227 HydrophobicContact CB-CG2 3.68Å; A217-E245 PolarHBondContact N-O 3.02Å; A217-K246 WeakPolarHBondContact O-CA 3.38Å; A217-V247 PolarHBondContact O-N 3.42Å; A217-F275 WeakPolarHBondContact CA-O 3.41Å
218	S	90.7	Very high	93.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.4	167.4	-67.6	0	0	0	0	111	G223 E224 V247 F275 M276 R277 D280	S218-G223 WeakPolarHBondContact O-CA 3.39Å; S218-E224 PolarHBondContact O-N 2.91Å; S218-V247 CarbonylContact C-O 3.54Å; S218-V247 WeakPolarHBondContact CA-O 3.39Å; S218-F275 PolarHBondContact N-O 3.43Å; S218-F275 VanDerWaalsContact N-O 3.09Å; S218-M276 WeakPolarHBondContact OG-CA 3.2Å; S218-R277 PolarHBondContact OG-N 2.85Å; S218-D280 VanDerWaalsContact CB-OD2 3.27Å; S218-D280 WeakPolarHBondContact CB-OD2 3.03Å; S218-D280 PolarHBondContact OG-OD2 3.21Å
219	E	87.1	Confident	93.4	Very high	67 Å²	67	24.9 Å²	24.9	31%	0.313	13%	0.132	S	C	.	.	S	Bend	trans	-60.4	143.3	171.4	-68.2	177.5	176.3	0	0	112.5	V247 G248 R249	E219-V247 PolarHBondContact N-O 3.09Å; E219-G248 WeakPolarHBondContact OE2-CA 3.28Å; E219-R249 PolarHBondContact OE2-N 2.81Å
220	G	84.7	Confident	93.5	Very high	22 Å²	22	19.6 Å²	19.6	23%	0.227	10%	0.103	C	C	.	.	S	Bend	trans	97.8	174.5	-178.2	0	0	0	0	0	113.9	Y222 G223 E224	G220-Y222 PolarHBondContact O-N 3.15Å; G220-G223 PolarHBondContact O-N 2.95Å; G220-E224 WeakPolarHBondContact CA-OE2 3.32Å; G220-E224 PolarHBondContact N-OE2 3.2Å; G220-E224 PolarHBondContact O-N 2.86Å
221	D	87.9	Confident	93.5	Very high	41 Å²	41	21.1 Å²	21.1	22%	0.219	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.5	-159.7	-55.5	-83.1	0	0	0	117.6	I155 S175 K177 T225	I155-D221 HydrophobicContact CD1-CB 3.48Å; I155-D221 VanDerWaalsContact CD1-CB 3.48Å; S175-D221 WeakPolarHBondContact CB-O 3.26Å; S175-D221 PolarHBondContact OG-O 3.17Å; K177-D221 HydrophobicContact CD-CB 4.14Å; K177-D221 WeakPolarHBondContact CD-OD1 3.33Å; K177-D221 WeakPolarHBondContact CE-OD1 3.25Å; K177-D221 IonicContact NZ-OD1 3.69Å; K177-D221 PolarHBondContact NZ-OD1 2.68Å; D221-T225 PolarHBondContact O-OG1 2.7Å
222	Y	90.6	Very high	93.5	Very high	30 Å²	30	25.3 Å²	25.3	12%	0.118	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-70.2	170.4	173.7	-116.2	0	0	0	110.4	T174 D194 G220 E224 T225 G226 R277 S300 D301 G302	T174-Y222 VanDerWaalsContact OG1-CE2 3.31Å; T174-Y222 WeakPolarHBondContact OG1-CE2 3.5Å; D194-Y222 WeakPolarHBondContact OD1-CE2 3.43Å; D194-Y222 WeakPolarHBondContact OD2-CD2 3.41Å; G220-Y222 PolarHBondContact O-N 3.15Å; Y222-E224 PolarHBondContact O-N 2.82Å; Y222-T225 PolarHBondContact O-N 2.94Å; Y222-G226 PolarHBondContact O-N 3.34Å; Y222-R277 HydrophobicContact CD1-CG 4.48Å; Y222-S300 WeakPolarHBondContact OH-CB 3.4Å; Y222-S300 PolarHBondContact OH-OG 3.37Å; Y222-D301 PolarHBondContact OH-OD1 2.98Å; Y222-D301 VanDerWaalsContact OH-OD1 3.08Å; Y222-G302 PolarHBondContact OH-N 2.91Å
223	G	92.1	Very high	93.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-40.6	-171.1	0	0	0	0	0	113.1	S218 G220 I227 F275	S218-G223 WeakPolarHBondContact O-CA 3.39Å; G220-G223 PolarHBondContact O-N 2.95Å; G223-I227 WeakPolarHBondContact O-CB 3.48Å; G223-I227 WeakPolarHBondContact O-CG2 3.5Å; G223-I227 PolarHBondContact O-N 3.49Å; G223-F275 WeakPolarHBondContact CA-O 3.22Å
224	E	91.3	Very high	93.5	Very high	53 Å²	53	25.2 Å²	25.2	25%	0.248	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-49.6	-179.7	-61.8	-171.4	102.4	0	0	112.3	S218 G220 Y222 G226 I227 E228 K246	S218-E224 PolarHBondContact O-N 2.91Å; G220-E224 WeakPolarHBondContact CA-OE2 3.32Å; G220-E224 PolarHBondContact N-OE2 3.2Å; G220-E224 PolarHBondContact O-N 2.86Å; Y222-E224 PolarHBondContact O-N 2.82Å; E224-G226 PolarHBondContact O-N 2.72Å; E224-I227 WeakPolarHBondContact O-CG2 3.36Å; E224-I227 PolarHBondContact O-N 2.94Å; E224-E228 VanDerWaalsContact O-CB 3.31Å; E224-E228 WeakPolarHBondContact O-CB 3.33Å; E224-E228 VanDerWaalsContact O-CD 3.28Å; E224-E228 WeakPolarHBondContact O-CG 3.49Å; E224-E228 PolarHBondContact O-N 2.73Å; E224-K246 HydrophobicContact CG-CD 4.39Å; E224-K246 IonicContact OE1-NZ 2.8Å; E224-K246 PolarHBondContact OE1-NZ 3.46Å
225	T	92.1	Very high	93.2	Very high	15 Å²	15	33 Å²	33	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-74	-29.3	-179.4	65.9	0	0	0	0	113	S175 K177 D221 Y222 A229	S175-T225 PolarHBondContact OG-OG1 2.94Å; K177-T225 HydrophobicContact CD-CG2 3.7Å; K177-T225 HydrophobicContact CG-CG2 4.09Å; D221-T225 PolarHBondContact O-OG1 2.7Å; Y222-T225 PolarHBondContact O-N 2.94Å; T225-A229 WeakPolarHBondContact O-CB 3.43Å; T225-A229 PolarHBondContact O-N 2.99Å; T225-A229 VanDerWaalsContact O-N 3.08Å
226	G	94.6	Very high	93	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-45.2	174.7	0	0	0	0	0	111.7	Y222 E224 F230 F275	Y222-G226 PolarHBondContact O-N 3.34Å; E224-G226 PolarHBondContact O-N 2.72Å; G226-F230 PolarHBondContact O-N 2.96Å; G226-F275 VanDerWaalsContact CA-CD1 3.5Å
227	I	95.8	Very high	92.9	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.036	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-40.4	175.7	-153.2	69.3	0	0	0	111.8	T215 A217 G223 E224 A229 F230 E231 V273 F275	T215-I227 HydrophobicContact CG2-CD1 3.81Å; T215-I227 HydrophobicContact CG2-CG1 4.13Å; A217-I227 HydrophobicContact CB-CB 3.94Å; A217-I227 HydrophobicContact CB-CG1 4.46Å; A217-I227 HydrophobicContact CB-CG2 3.68Å; G223-I227 WeakPolarHBondContact O-CB 3.48Å; G223-I227 WeakPolarHBondContact O-CG2 3.5Å; G223-I227 PolarHBondContact O-N 3.49Å; E224-I227 WeakPolarHBondContact O-CG2 3.36Å; E224-I227 PolarHBondContact O-N 2.94Å; I227-A229 VanDerWaalsContact C-N 3.31Å; I227-A229 PolarHBondContact O-N 2.81Å; I227-F230 HydrophobicContact CD1-CB 4.37Å; I227-F230 HydrophobicContact CD1-CD1 3.82Å; I227-F230 HydrophobicContact CD1-CG 4.35Å; I227-F230 CarbonylContact O-C 3.48Å; I227-F230 WeakPolarHBondContact O-CA 3.42Å; I227-F230 WeakPolarHBondContact O-CB 3.18Å; I227-F230 PolarHBondContact O-N 2.86Å; I227-E231 VanDerWaalsContact O-CG 3.29Å; I227-E231 WeakPolarHBondContact O-CG 3.17Å; I227-E231 PolarHBondContact O-N 3.1Å; I227-V273 HydrophobicContact CD1-CG1 3.99Å; I227-F275 HydrophobicContact CB-CB 4.02Å; I227-F275 HydrophobicContact CD1-CB 4.06Å; I227-F275 HydrophobicContact CD1-CD2 3.88Å; I227-F275 HydrophobicContact CD1-CG 4.42Å
228	E	94.7	Very high	92.7	Very high	105 Å²	105	45.7 Å²	45.7	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-58	-41.9	176.2	-76	161	-168.3	0	0	111.9	E224 E231 Q232	E224-E228 VanDerWaalsContact O-CB 3.31Å; E224-E228 WeakPolarHBondContact O-CB 3.33Å; E224-E228 VanDerWaalsContact O-CD 3.28Å; E224-E228 WeakPolarHBondContact O-CG 3.49Å; E224-E228 PolarHBondContact O-N 2.73Å; E228-E231 PolarHBondContact O-N 2.95Å; E228-Q232 PolarHBondContact O-N 2.91Å
229	A	95.5	Very high	92.9	Very high	12 Å²	12	45.9 Å²	45.9	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-39.4	172.5	0	0	0	0	0	112.5	F195 A198 T225 I227 Q232 E233	F195-A229 HydrophobicContact CD2-CB 4.35Å; A198-A229 HydrophobicContact CB-CB 3.79Å; T225-A229 WeakPolarHBondContact O-CB 3.43Å; T225-A229 PolarHBondContact O-N 2.99Å; T225-A229 VanDerWaalsContact O-N 3.08Å; I227-A229 VanDerWaalsContact C-N 3.31Å; I227-A229 PolarHBondContact O-N 2.81Å; A229-Q232 PolarHBondContact O-N 3.26Å; A229-E233 PolarHBondContact O-N 3.38Å; A229-E233 VanDerWaalsContact O-N 3.08Å
230	F	97.3	Very high	93.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-41.9	174.7	167.4	-92.3	0	0	0	112.1	A198 M201 A202 L205 V213 T215 G226 I227 Q232 E233 A234 V273 F275	A198-F230 HydrophobicContact CB-CB 3.97Å; M201-F230 HydrophobicContact CB-CD2 4.03Å; M201-F230 HydrophobicContact CB-CE2 4.24Å; A202-F230 HydrophobicContact CB-CD2 4.39Å; A202-F230 HydrophobicContact CB-CE2 4.21Å; L205-F230 HydrophobicContact CD2-CE2 3.9Å; L205-F230 HydrophobicContact CD2-CZ 3.58Å; V213-F230 HydrophobicContact CG2-CZ 4.45Å; T215-F230 HydrophobicContact CG2-CD1 4.03Å; T215-F230 HydrophobicContact CG2-CE1 3.72Å; G226-F230 PolarHBondContact O-N 2.96Å; I227-F230 HydrophobicContact CD1-CB 4.37Å; I227-F230 HydrophobicContact CD1-CD1 3.82Å; I227-F230 HydrophobicContact CD1-CG 4.35Å; I227-F230 CarbonylContact O-C 3.48Å; I227-F230 WeakPolarHBondContact O-CA 3.42Å; I227-F230 WeakPolarHBondContact O-CB 3.18Å; I227-F230 PolarHBondContact O-N 2.86Å; F230-Q232 VanDerWaalsContact C-N 3.26Å; F230-Q232 PolarHBondContact O-N 2.77Å; F230-E233 PolarHBondContact O-N 2.83Å; F230-A234 HydrophobicContact CE1-CB 4.16Å; F230-A234 HydrophobicContact CE2-CB 4.45Å; F230-A234 HydrophobicContact CZ-CB 4.02Å; F230-A234 WeakPolarHBondContact O-CB 3.13Å; F230-A234 PolarHBondContact O-N 3.08Å; F230-V273 HydrophobicContact CD1-CG1 3.95Å; F230-V273 HydrophobicContact CD2-CG1 4.22Å; F230-V273 HydrophobicContact CE1-CB 4.18Å; F230-V273 HydrophobicContact CE1-CG1 3.86Å; F230-V273 HydrophobicContact CE1-CG2 4.11Å; F230-V273 HydrophobicContact CE2-CG1 4.12Å; F230-V273 HydrophobicContact CE2-CG2 4.29Å; F230-V273 HydrophobicContact CG-CG1 4.15Å; F230-V273 HydrophobicContact CZ-CB 4.25Å; F230-V273 HydrophobicContact CZ-CG1 3.96Å; F230-V273 HydrophobicContact CZ-CG2 3.73Å; F230-F275 HydrophobicContact CB-CD2 4.31Å; F230-F275 HydrophobicContact CB-CE2 3.96Å
231	E	95.6	Very high	93.8	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-37.1	177.4	-58.8	-153	173.9	0	0	111.7	I227 E228 R235 I241	I227-E231 VanDerWaalsContact O-CG 3.29Å; I227-E231 WeakPolarHBondContact O-CG 3.17Å; I227-E231 PolarHBondContact O-N 3.1Å; E228-E231 PolarHBondContact O-N 2.95Å; E231-R235 WeakPolarHBondContact O-CB 3.34Å; E231-R235 WeakPolarHBondContact O-CD 3.43Å; E231-R235 WeakPolarHBondContact O-CG 3.39Å; E231-R235 PolarHBondContact O-N 2.89Å; E231-R235 IonicContact OE2-CZ 3.79Å; E231-R235 IonicContact OE2-NH2 2.93Å; E231-R235 PolarHBondContact OE2-NH2 3.42Å; E231-I241 HydrophobicContact CB-CD1 3.74Å; E231-I241 HydrophobicContact CG-CD1 3.4Å
232	Q	94.8	Very high	94	Very high	121 Å²	121	42.9 Å²	42.9	57%	0.565	21%	0.205	S	C	*	.	H	α-helix	trans	-65.5	-49.7	174.7	-176.4	173.8	-9.9	0	0	111.6	E228 A229 F230 A234 R235 L236	E228-Q232 PolarHBondContact O-N 2.91Å; A229-Q232 PolarHBondContact O-N 3.26Å; F230-Q232 VanDerWaalsContact C-N 3.26Å; F230-Q232 PolarHBondContact O-N 2.77Å; Q232-A234 VanDerWaalsContact C-N 3.29Å; Q232-A234 PolarHBondContact O-N 2.97Å; Q232-R235 PolarHBondContact O-N 2.89Å; Q232-L236 WeakPolarHBondContact O-CG 3.44Å; Q232-L236 PolarHBondContact O-N 3.43Å; Q232-L236 VanDerWaalsContact O-N 3.09Å
233	E	95.8	Very high	94.1	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-29.7	178.2	-72.4	-67.8	118	0	0	112.9	F195 K199 A202 A229 F230 R237	F195-E233 HydrophobicContact CE2-CG 4.11Å; K199-E233 HydrophobicContact CB-CG 4.23Å; A202-E233 HydrophobicContact CB-CB 3.72Å; A229-E233 PolarHBondContact O-N 3.38Å; A229-E233 VanDerWaalsContact O-N 3.08Å; F230-E233 PolarHBondContact O-N 2.83Å; E233-R237 PolarHBondContact O-NH1 2.89Å; E233-R237 IonicContact OE2-CZ 2.7Å; E233-R237 IonicContact OE2-NH1 2.73Å; E233-R237 PolarHBondContact OE2-NH1 3.26Å; E233-R237 IonicContact OE2-NH2 3.17Å; E233-R237 PolarHBondContact OE2-NH2 3.04Å
234	A	95.4	Very high	94.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-47.6	173.6	0	0	0	0	0	112	F230 Q232 L236 R237 N238 I239	F230-A234 HydrophobicContact CE1-CB 4.16Å; F230-A234 HydrophobicContact CE2-CB 4.45Å; F230-A234 HydrophobicContact CZ-CB 4.02Å; F230-A234 WeakPolarHBondContact O-CB 3.13Å; F230-A234 PolarHBondContact O-N 3.08Å; Q232-A234 VanDerWaalsContact C-N 3.29Å; Q232-A234 PolarHBondContact O-N 2.97Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.09Å; A234-R237 CarbonylContact O-C 3.52Å; A234-R237 PolarHBondContact O-N 3.11Å; A234-N238 PolarHBondContact O-N 3.06Å; A234-I239 HydrophobicContact CB-CB 4.05Å; A234-I239 HydrophobicContact CB-CG2 4.35Å; A234-I239 WeakPolarHBondContact O-CB 3.49Å; A234-I239 PolarHBondContact O-N 3.35Å
235	R	92.7	Very high	94.4	Very high	163 Å²	163	43.7 Å²	43.7	62%	0.615	22%	0.221	S	C	*	.	H	α-helix	trans	-59.6	-39.9	176	-70	166	-157.4	-162.7	8.8	111.6	E231 Q232 R237 N238	E231-R235 WeakPolarHBondContact O-CB 3.34Å; E231-R235 WeakPolarHBondContact O-CD 3.43Å; E231-R235 WeakPolarHBondContact O-CG 3.39Å; E231-R235 PolarHBondContact O-N 2.89Å; E231-R235 IonicContact OE2-CZ 3.79Å; E231-R235 IonicContact OE2-NH2 2.93Å; E231-R235 PolarHBondContact OE2-NH2 3.42Å; Q232-R235 PolarHBondContact O-N 2.89Å; R235-R237 PolarHBondContact O-N 3.03Å; R235-R237 VanDerWaalsContact O-N 3.14Å; R235-N238 PolarHBondContact O-N 2.86Å
236	L	93.9	Very high	94.3	Very high	120 Å²	120	47 Å²	47	63%	0.628	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.8	174.5	-71.2	173.5	0	0	0	114.4	Q232 A234	Q232-L236 WeakPolarHBondContact O-CG 3.44Å; Q232-L236 PolarHBondContact O-N 3.43Å; Q232-L236 VanDerWaalsContact O-N 3.09Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.09Å
237	R	93.5	Very high	93.9	Very high	44 Å²	44	47.4 Å²	47.4	17%	0.166	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	13.6	-179.8	-68.9	172.2	-176.2	73.4	-7.4	113.2	E203 E233 A234 R235 I239	E203-R237 IonicContact OE1-CZ 2.67Å; E203-R237 IonicContact OE1-NE 2.69Å; E203-R237 IonicContact OE1-NH2 2.68Å; E203-R237 PolarHBondContact OE1-NH2 3.33Å; E233-R237 PolarHBondContact O-NH1 2.89Å; E233-R237 IonicContact OE2-CZ 2.7Å; E233-R237 IonicContact OE2-NH1 2.73Å; E233-R237 PolarHBondContact OE2-NH1 3.26Å; E233-R237 IonicContact OE2-NH2 3.17Å; E233-R237 PolarHBondContact OE2-NH2 3.04Å; A234-R237 CarbonylContact O-C 3.52Å; A234-R237 PolarHBondContact O-N 3.11Å; R235-R237 PolarHBondContact O-N 3.03Å; R235-R237 VanDerWaalsContact O-N 3.14Å; R237-I239 HydrophobicContact CB-CD1 4Å; R237-I239 HydrophobicContact CB-CG1 4.27Å
238	N	91.8	Very high	92.8	Very high	107 Å²	107	49 Å²	49	57%	0.572	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	45.9	-175.2	-60.3	-21.9	0	0	0	113.1	A234 R235	A234-N238 PolarHBondContact O-N 3.06Å; R235-N238 PolarHBondContact O-N 2.86Å
239	I	94.9	Very high	91.2	Very high	5 Å²	5	49 Å²	49	3%	0.026	25%	0.251	C	S	.	.			trans	-110.8	123	174.3	-56.1	165.9	0	0	0	108.2	L205 V213 A234 R237	L205-I239 HydrophobicContact CB-CD1 3.84Å; L205-I239 HydrophobicContact CD2-CG2 4.37Å; V213-I239 HydrophobicContact CG1-CG2 4.33Å; V213-I239 HydrophobicContact CG2-CG2 4.03Å; A234-I239 HydrophobicContact CB-CB 4.05Å; A234-I239 HydrophobicContact CB-CG2 4.35Å; A234-I239 WeakPolarHBondContact O-CB 3.49Å; A234-I239 PolarHBondContact O-N 3.35Å; R237-I239 HydrophobicContact CB-CD1 4Å; R237-I239 HydrophobicContact CB-CG1 4.27Å
240	C	93.7	Very high	89	Confident	17 Å²	17	52.4 Å²	52.4	12%	0.115	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	154.7	-179.3	-63	0	0	0	0	112.3	T211 Y212 V213 C527	T211-C240 PolarHBondContact O-N 2.93Å; Y212-C240 WeakPolarHBondContact CA-O 3.21Å; Y212-C240 HydrophobicContact CD2-CB 4.1Å; V213-C240 PolarHBondContact N-O 2.87Å; V213-C240 VanDerWaalsContact N-O 3.08Å; C240-C527 HydrophobicContact CB-CB 3.64Å; C240-C527 WeakPolarHBondContact CB-SG 3.48Å; C240-C527 PolarHBondContact N-SG 2.91Å; C240-C527 VanDerWaalsContact N-SG 3.37Å; C240-C527 WeakPolarHBondContact SG-CB 3.43Å; C240-C527 PolarHBondContact SG-N 3.27Å; C240-C527 CovalentContact SG-SG 2.04Å; C240-C527 PolarHBondContact SG-SG 2.8Å
241	I	94.9	Very high	86.4	Confident	40 Å²	40	58.7 Å²	58.7	21%	0.205	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.9	-173.9	-59.2	168.1	0	0	0	109.1	V213 T215 E231 T243 A244	V213-I241 CarbonylContact O-C 3.58Å; V213-I241 VanDerWaalsContact O-CA 3.32Å; V213-I241 WeakPolarHBondContact O-CA 3.24Å; T215-I241 HydrophobicContact CG2-CD1 4.4Å; T215-I241 HydrophobicContact CG2-CG1 4.41Å; T215-I241 HydrophobicContact CG2-CG2 4.06Å; E231-I241 HydrophobicContact CB-CD1 3.74Å; E231-I241 HydrophobicContact CG-CD1 3.4Å; I241-T243 WeakPolarHBondContact CG2-O 3.46Å; I241-A244 HydrophobicContact CG2-CB 4.17Å
242	A	93.3	Very high	84.2	Confident	9 Å²	9	64.8 Å²	64.8	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-35.7	-172.5	0	0	0	0	0	113.7	Y212 V213 K266 A269	Y212-A242 HydrophobicContact CD1-CB 3.91Å; Y212-A242 HydrophobicContact CD2-CB 4.19Å; Y212-A242 HydrophobicContact CE1-CB 3.38Å; Y212-A242 HydrophobicContact CE2-CB 3.73Å; Y212-A242 HydrophobicContact CG-CB 4.29Å; V213-A242 PolarHBondContact O-N 3.32Å; A242-K266 HydrophobicContact CB-CB 4.15Å; A242-K266 HydrophobicContact CB-CD 4.35Å; A242-K266 HydrophobicContact CB-CG 4.18Å; A242-K266 WeakPolarHBondContact O-CE 3.36Å; A242-K266 PolarHBondContact O-NZ 2.03Å; A242-A269 HydrophobicContact CB-CB 3.45Å; A242-A269 VanDerWaalsContact CB-CB 3.45Å
243	T	93.6	Very high	81.8	Confident	30 Å²	30	70.2 Å²	70.2	18%	0.184	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	151.2	167.7	-172.2	0	0	0	0	108.8	S214 T215 I241 L263 K266	S214-T243 WeakPolarHBondContact CA-O 3.23Å; T215-T243 PolarHBondContact N-O 3.44Å; I241-T243 WeakPolarHBondContact CG2-O 3.46Å; T243-L263 HydrophobicContact CG2-CD2 3.91Å; T243-K266 HydrophobicContact CG2-CG 4.41Å
244	A	94.6	Very high	79.8	Confident	56 Å²	56	74.5 Å²	74.5	46%	0.463	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.7	-179.9	0	0	0	0	0	109.7	T215 I241	T215-A244 VanDerWaalsContact OG1-CA 3.28Å; T215-A244 WeakPolarHBondContact OG1-CA 3.46Å; T215-A244 VanDerWaalsContact OG1-CB 3.27Å; T215-A244 WeakPolarHBondContact OG1-CB 3.26Å; I241-A244 HydrophobicContact CG2-CB 4.17Å
245	E	93.5	Very high	78.9	Confident	15 Å²	15	77.1 Å²	77.1	7%	0.07	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.8	-172.7	-76.4	-64.4	161.4	0	0	112.9	T215 V216 A217 K254 V259 E262	T215-E245 PolarHBondContact O-N 2.87Å; V216-E245 CarbonylContact C-O 3.54Å; V216-E245 VanDerWaalsContact CA-O 3.31Å; V216-E245 WeakPolarHBondContact CA-O 3.3Å; V216-E245 HydrophobicContact CG1-CB 4.25Å; V216-E245 HydrophobicContact CG2-CB 4.4Å; A217-E245 PolarHBondContact N-O 3.02Å; E245-K254 IonicContact OE1-NZ 2.93Å; E245-K254 PolarHBondContact OE1-NZ 2.99Å; E245-K254 WeakPolarHBondContact OE2-CD 3.18Å; E245-K254 IonicContact OE2-NZ 3.47Å; E245-K254 PolarHBondContact OE2-NZ 2.8Å; E245-V259 HydrophobicContact CB-CG1 3.8Å; E245-V259 HydrophobicContact CB-CG2 4.18Å; E245-V259 HydrophobicContact CG-CG1 4.08Å; E245-V259 HydrophobicContact CG-CG2 4.38Å; E245-E262 HydrophobicContact CG-CB 4.34Å; E245-E262 WeakPolarHBondContact OE1-CG 3.39Å
246	K	90.7	Very high	78.7	Confident	85 Å²	85	71.4 Å²	71.4	37%	0.37	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.8	177.6	-68.9	-173.7	174.7	-175.9	0	110.6	A217 E224	A217-K246 WeakPolarHBondContact O-CA 3.38Å; E224-K246 HydrophobicContact CG-CD 4.39Å; E224-K246 IonicContact OE1-NZ 2.8Å; E224-K246 PolarHBondContact OE1-NZ 3.46Å
247	V	86.7	Confident	78.5	Confident	8 Å²	8	68.5 Å²	68.5	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.6	177.7	-66.6	0	0	0	0	110	A217 S218 E219 Y256 V259 M276 D280	A217-V247 PolarHBondContact O-N 3.42Å; S218-V247 CarbonylContact C-O 3.54Å; S218-V247 WeakPolarHBondContact CA-O 3.39Å; E219-V247 PolarHBondContact N-O 3.09Å; V247-Y256 HydrophobicContact CB-CD1 4.47Å; V247-Y256 HydrophobicContact CB-CE1 3.87Å; V247-Y256 HydrophobicContact CG1-CD1 4.06Å; V247-Y256 HydrophobicContact CG1-CE1 3.97Å; V247-Y256 HydrophobicContact CG2-CE1 3.88Å; V247-V259 HydrophobicContact CG1-CG2 3.71Å; V247-M276 HydrophobicContact CG2-CE 3.57Å; V247-M276 HydrophobicContact CG2-SD 4.46Å; V247-D280 HydrophobicContact CG2-CB 4.17Å
248	G	73.1	Confident	78.4	Confident	41 Å²	41	66.9 Å²	66.9	42%	0.423	35%	0.35	S	S	.	.			trans	170.9	-139.7	-178.3	0	0	0	0	0	118.6	E219 S250	E219-G248 WeakPolarHBondContact OE2-CA 3.28Å; G248-S250 PolarHBondContact O-N 2.74Å
249	R	59.8	Low	78.4	Confident	106 Å²	106	61.8 Å²	61.8	40%	0.4	32%	0.323	S	S	.	.	S	Bend	trans	-83.4	-14.4	-147.2	-77.3	176.8	151.5	-153.7	-10.1	115.2	D102 E219	D102-R249 VanDerWaalsContact CG-NH2 3.31Å; D102-R249 IonicContact OD1-CZ 3.62Å; D102-R249 IonicContact OD1-NH1 2.81Å; D102-R249 PolarHBondContact OD1-NH1 3.14Å; D102-R249 IonicContact OD1-NH2 2.68Å; D102-R249 PolarHBondContact OD1-NH2 2.77Å; D102-R249 IonicContact OD2-CZ 3.54Å; D102-R249 IonicContact OD2-NH1 3.72Å; D102-R249 PolarHBondContact OD2-NH1 2.9Å; D102-R249 IonicContact OD2-NH2 3.69Å; D102-R249 PolarHBondContact OD2-NH2 3.49Å; E219-R249 PolarHBondContact OE2-N 2.81Å
250	S	50.6	Low	78.4	Confident	82 Å²	82	61.7 Å²	61.7	57%	0.573	32%	0.322	S	S	*	.	S	Bend	trans	-132.4	109.1	-176.3	53.5	0	0	0	0	115.4	G248	G248-S250 PolarHBondContact O-N 2.74Å
251	N	41.6	Very low	78.4	Confident	132 Å²	132	67.7 Å²	67.7	71%	0.706	34%	0.343	S	S	*	.			trans	60.9	111.6	159.1	-61.3	-39.8	0	0	0	118.8	R253	N251-R253 PolarHBondContact O-N 2.99Å
252	I	49.8	Very low	78.3	Confident	165 Å²	165	68.4 Å²	68.4	85%	0.846	35%	0.345	S	S	*	.	S	Bend		55	-24	120.6	-67.4	171	0	0	0	120.6
253	R	43.8	Very low	78.4	Confident	234 Å²	234	68 Å²	68	88%	0.883	34%	0.342	S	S	*	.	S	Bend	trans	-95.4	-17.5	-167.4	-74.4	-174.4	169.3	179.1	-3.2	115.4	N251	N251-R253 PolarHBondContact O-N 2.99Å
254	K	54.4	Low	78.5	Confident	106 Å²	106	70.4 Å²	70.4	46%	0.461	35%	0.353	S	S	.	.	S	Bend	trans	-128.6	116.3	155	-73	-165.8	-178.4	-176.2	0	108.8	E245 S258	E245-K254 IonicContact OE1-NZ 2.93Å; E245-K254 PolarHBondContact OE1-NZ 2.99Å; E245-K254 WeakPolarHBondContact OE2-CD 3.18Å; E245-K254 IonicContact OE2-NZ 3.47Å; E245-K254 PolarHBondContact OE2-NZ 2.8Å; K254-S258 VanDerWaalsContact CA-OG 3.24Å; K254-S258 WeakPolarHBondContact CA-OG 3.31Å
255	S	77.1	Confident	78.5	Confident	54 Å²	54	73.6 Å²	73.6	38%	0.378	36%	0.358	S	S	.	.			trans	-74.1	161.8	160.1	-169.1	0	0	0	0	109.6	D257 S258 V259	S255-D257 WeakPolarHBondContact CB-OD2 3.43Å; S255-D257 PolarHBondContact O-N 2.96Å; S255-D257 PolarHBondContact OG-N 2.82Å; S255-D257 PolarHBondContact OG-OD2 3Å; S255-S258 PolarHBondContact N-OG 3.06Å; S255-S258 PolarHBondContact O-N 3.23Å; S255-S258 PolarHBondContact O-OG 3.13Å; S255-V259 PolarHBondContact O-N 3.02Å
256	Y	88.2	Confident	78.5	Confident	44 Å²	44	76.6 Å²	76.6	17%	0.173	37%	0.371	C	S	.	.	H	α-helix	trans	-50.5	-37.9	161.7	-63.3	-78.6	0	0	0	111.1	V247 S258 V259 I260 D280 E283 L284	V247-Y256 HydrophobicContact CB-CD1 4.47Å; V247-Y256 HydrophobicContact CB-CE1 3.87Å; V247-Y256 HydrophobicContact CG1-CD1 4.06Å; V247-Y256 HydrophobicContact CG1-CE1 3.97Å; V247-Y256 HydrophobicContact CG2-CE1 3.88Å; Y256-S258 VanDerWaalsContact C-N 3.25Å; Y256-S258 PolarHBondContact O-N 3.29Å; Y256-V259 PolarHBondContact O-N 3.48Å; Y256-V259 VanDerWaalsContact O-N 3.13Å; Y256-I260 WeakPolarHBondContact O-CG1 3.33Å; Y256-I260 PolarHBondContact O-N 3.48Å; Y256-D280 HydrophobicContact CE1-CB 4.3Å; Y256-D280 WeakPolarHBondContact CE1-O 3.44Å; Y256-D280 WeakPolarHBondContact OH-CA 3.34Å; Y256-D280 WeakPolarHBondContact OH-CB 3.28Å; Y256-D280 PolarHBondContact OH-OD1 3.12Å; Y256-E283 HydrophobicContact CD1-CB 4.31Å; Y256-E283 HydrophobicContact CD2-CB 3.7Å; Y256-E283 HydrophobicContact CE1-CB 4.12Å; Y256-E283 HydrophobicContact CE2-CB 3.49Å; Y256-E283 VanDerWaalsContact CE2-CB 3.49Å; Y256-E283 HydrophobicContact CE2-CG 4.26Å; Y256-E283 HydrophobicContact CG-CB 4.12Å; Y256-L284 HydrophobicContact CD1-CB 3.8Å; Y256-L284 HydrophobicContact CD1-CD1 4.05Å; Y256-L284 HydrophobicContact CE1-CB 4.28Å
257	D	89.4	Confident	78.5	Confident	58 Å²	58	75.6 Å²	75.6	31%	0.31	37%	0.373	S	S	.	.	H	α-helix	trans	-70.4	-13	176.8	-31.7	-88.6	0	0	0	114.2	S255 R261 R290	S255-D257 WeakPolarHBondContact CB-OD2 3.43Å; S255-D257 PolarHBondContact O-N 2.96Å; S255-D257 PolarHBondContact OG-N 2.82Å; S255-D257 PolarHBondContact OG-OD2 3Å; D257-R261 WeakPolarHBondContact O-CG 3.24Å; D257-R261 PolarHBondContact O-NE 2.94Å; D257-R290 IonicContact OD1-CZ 2.73Å; D257-R290 VanDerWaalsContact OD1-CZ 3.28Å; D257-R290 IonicContact OD1-NE 3.41Å; D257-R290 PolarHBondContact OD1-NE 3.15Å; D257-R290 IonicContact OD1-NH2 2.79Å; D257-R290 PolarHBondContact OD1-NH2 2.7Å; D257-R290 IonicContact OD2-NH2 3.51Å
258	S	90.4	Very high	78.8	Confident	11 Å²	11	79 Å²	79	8%	0.077	39%	0.391	C	S	.	.	H	α-helix	trans	-84.4	-42.5	164.8	23.9	0	0	0	0	111.6	K254 S255 Y256 I260 R261 E262	K254-S258 VanDerWaalsContact CA-OG 3.24Å; K254-S258 WeakPolarHBondContact CA-OG 3.31Å; S255-S258 PolarHBondContact N-OG 3.06Å; S255-S258 PolarHBondContact O-N 3.23Å; S255-S258 PolarHBondContact O-OG 3.13Å; Y256-S258 VanDerWaalsContact C-N 3.25Å; Y256-S258 PolarHBondContact O-N 3.29Å; S258-I260 VanDerWaalsContact C-N 3.27Å; S258-I260 PolarHBondContact O-N 2.89Å; S258-R261 CarbonylContact O-C 3.53Å; S258-R261 WeakPolarHBondContact O-CA 3.26Å; S258-R261 WeakPolarHBondContact O-CB 3.38Å; S258-R261 PolarHBondContact O-N 2.91Å; S258-E262 WeakPolarHBondContact O-CG 3.35Å; S258-E262 PolarHBondContact O-N 2.86Å
259	V	92.9	Very high	79.8	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-57.5	-43.7	177.1	171.7	0	0	0	0	110.6	V216 E245 V247 S255 Y256 R261 E262 L263 L284	V216-V259 HydrophobicContact CG1-CG1 3.96Å; V216-V259 HydrophobicContact CG2-CG1 4.05Å; E245-V259 HydrophobicContact CB-CG1 3.8Å; E245-V259 HydrophobicContact CB-CG2 4.18Å; E245-V259 HydrophobicContact CG-CG1 4.08Å; E245-V259 HydrophobicContact CG-CG2 4.38Å; V247-V259 HydrophobicContact CG1-CG2 3.71Å; S255-V259 PolarHBondContact O-N 3.02Å; Y256-V259 PolarHBondContact O-N 3.48Å; Y256-V259 VanDerWaalsContact O-N 3.13Å; V259-R261 VanDerWaalsContact C-N 3.27Å; V259-R261 PolarHBondContact O-N 3.46Å; V259-E262 PolarHBondContact O-N 2.78Å; V259-L263 HydrophobicContact CG1-CD1 4.14Å; V259-L263 HydrophobicContact CG1-CG 4.46Å; V259-L263 VanDerWaalsContact O-CG 3.3Å; V259-L263 WeakPolarHBondContact O-CG 3.48Å; V259-L263 PolarHBondContact O-N 3Å; V259-L284 HydrophobicContact CB-CD1 4.28Å; V259-L284 HydrophobicContact CG1-CD1 3.92Å
260	I	94.6	Very high	81.4	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-34.9	173.1	-59.5	-56	0	0	0	112.4	Y256 S258 L263 L264 L284 A287 A288 A291 A293 W297	Y256-I260 WeakPolarHBondContact O-CG1 3.33Å; Y256-I260 PolarHBondContact O-N 3.48Å; S258-I260 VanDerWaalsContact C-N 3.27Å; S258-I260 PolarHBondContact O-N 2.89Å; I260-L263 HydrophobicContact CD1-CD1 4.17Å; I260-L264 HydrophobicContact CG2-CD1 3.99Å; I260-L264 HydrophobicContact CG2-CG 4.41Å; I260-L264 WeakPolarHBondContact O-CB 3.46Å; I260-L264 WeakPolarHBondContact O-CG 3.14Å; I260-L264 PolarHBondContact O-N 3.41Å; I260-L284 HydrophobicContact CD1-CD1 3.65Å; I260-L284 HydrophobicContact CD1-CG 4.22Å; I260-L284 HydrophobicContact CG1-CD1 4.17Å; I260-A287 HydrophobicContact CG1-CB 4Å; I260-A288 HydrophobicContact CD1-CB 3.74Å; I260-A288 HydrophobicContact CG1-CB 4.32Å; I260-A291 HydrophobicContact CG2-CB 3.68Å; I260-A293 HydrophobicContact CG2-CB 3.81Å; I260-W297 HydrophobicContact CD1-CH2 4.32Å
261	R	93.2	Very high	83.7	Confident	143 Å²	143	72.7 Å²	72.7	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-73.5	-32.5	175.5	-75.5	-179.3	-69.7	117.9	-11.4	113.7	D257 S258 V259 Q265	D257-R261 WeakPolarHBondContact O-CG 3.24Å; D257-R261 PolarHBondContact O-NE 2.94Å; S258-R261 CarbonylContact O-C 3.53Å; S258-R261 WeakPolarHBondContact O-CA 3.26Å; S258-R261 WeakPolarHBondContact O-CB 3.38Å; S258-R261 PolarHBondContact O-N 2.91Å; V259-R261 VanDerWaalsContact C-N 3.27Å; V259-R261 PolarHBondContact O-N 3.46Å; R261-Q265 WeakPolarHBondContact O-CG 3.42Å; R261-Q265 PolarHBondContact O-N 3Å; R261-Q265 PolarHBondContact O-NE2 3.38Å; R261-Q265 VanDerWaalsContact O-NE2 3.14Å
262	E	94	Very high	86.3	Confident	56 Å²	56	66.4 Å²	66.4	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-69.8	-41	172.1	-55.4	-50.3	148	0	0	110.8	E245 S258 V259 L264 Q265	E245-E262 HydrophobicContact CG-CB 4.34Å; E245-E262 WeakPolarHBondContact OE1-CG 3.39Å; S258-E262 WeakPolarHBondContact O-CG 3.35Å; S258-E262 PolarHBondContact O-N 2.86Å; V259-E262 PolarHBondContact O-N 2.78Å; E262-L264 PolarHBondContact O-N 3.1Å; E262-Q265 WeakPolarHBondContact O-CB 3.33Å; E262-Q265 PolarHBondContact O-N 2.9Å; E262-Q265 PolarHBondContact OE2-NE2 2.8Å
263	L	95.3	Very high	88.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-42.7	173.1	-66.1	171.1	0	0	0	112	V216 T243 V259 I260 Q265 K266 V272 F295	V216-L263 HydrophobicContact CG2-CD1 4.09Å; V216-L263 HydrophobicContact CG2-CD2 4.26Å; T243-L263 HydrophobicContact CG2-CD2 3.91Å; V259-L263 HydrophobicContact CG1-CD1 4.14Å; V259-L263 HydrophobicContact CG1-CG 4.46Å; V259-L263 VanDerWaalsContact O-CG 3.3Å; V259-L263 WeakPolarHBondContact O-CG 3.48Å; V259-L263 PolarHBondContact O-N 3Å; I260-L263 HydrophobicContact CD1-CD1 4.17Å; L263-Q265 VanDerWaalsContact C-N 3.26Å; L263-Q265 PolarHBondContact O-N 3.34Å; L263-K266 PolarHBondContact O-N 3.11Å; L263-K266 VanDerWaalsContact O-N 3.1Å; L263-V272 HydrophobicContact CD1-CG1 4.09Å; L263-V272 HydrophobicContact CD1-CG2 4.43Å; L263-V272 HydrophobicContact CD2-CG1 4.02Å; L263-V272 HydrophobicContact CD2-CG2 4.2Å; L263-F295 HydrophobicContact CB-CE1 4.03Å; L263-F295 HydrophobicContact CB-CE2 4.19Å; L263-F295 HydrophobicContact CB-CZ 3.52Å; L263-F295 HydrophobicContact CD1-CE2 4.42Å; L263-F295 HydrophobicContact CD1-CZ 4.49Å
264	L	94.9	Very high	91.2	Very high	81 Å²	81	47.4 Å²	47.4	42%	0.424	23%	0.226	S	C	.	.	H	α-helix	trans	-67.6	-20.4	178.5	-74.7	170.6	0	0	0	114	I260 E262 K266 A293 F295	I260-L264 HydrophobicContact CG2-CD1 3.99Å; I260-L264 HydrophobicContact CG2-CG 4.41Å; I260-L264 WeakPolarHBondContact O-CB 3.46Å; I260-L264 WeakPolarHBondContact O-CG 3.14Å; I260-L264 PolarHBondContact O-N 3.41Å; E262-L264 PolarHBondContact O-N 3.1Å; L264-K266 PolarHBondContact O-N 3.26Å; L264-A293 HydrophobicContact CD1-CB 4.34Å; L264-A293 HydrophobicContact CD2-CB 4.25Å; L264-F295 HydrophobicContact CD2-CE2 4.47Å; L264-F295 HydrophobicContact CD2-CZ 3.86Å; L264-F295 HydrophobicContact CG-CZ 4.01Å
265	Q	94.8	Very high	93.2	Very high	122 Å²	122	42.4 Å²	42.4	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.5	171.8	-76.6	169.1	75.8	0	0	113.3	R261 E262 L263 P267	R261-Q265 WeakPolarHBondContact O-CG 3.42Å; R261-Q265 PolarHBondContact O-N 3Å; R261-Q265 PolarHBondContact O-NE2 3.38Å; R261-Q265 VanDerWaalsContact O-NE2 3.14Å; E262-Q265 WeakPolarHBondContact O-CB 3.33Å; E262-Q265 PolarHBondContact O-N 2.9Å; E262-Q265 PolarHBondContact OE2-NE2 2.8Å; L263-Q265 VanDerWaalsContact C-N 3.26Å; L263-Q265 PolarHBondContact O-N 3.34Å; Q265-P267 WeakPolarHBondContact O-CD 2.99Å
266	K	92.8	Very high	93.9	Very high	79 Å²	79	39.8 Å²	39.8	34%	0.343	19%	0.187	S	C	.	.			trans	-113.6	66.1	179.2	-62.8	-67.8	-177.1	154.7	0	110.8	A242 T243 L263 L264 N268 A269	A242-K266 HydrophobicContact CB-CB 4.15Å; A242-K266 HydrophobicContact CB-CD 4.35Å; A242-K266 HydrophobicContact CB-CG 4.18Å; A242-K266 WeakPolarHBondContact O-CE 3.36Å; A242-K266 PolarHBondContact O-NZ 2.03Å; T243-K266 HydrophobicContact CG2-CG 4.41Å; L263-K266 PolarHBondContact O-N 3.11Å; L263-K266 VanDerWaalsContact O-N 3.1Å; L264-K266 PolarHBondContact O-N 3.26Å; K266-N268 PolarHBondContact O-N 3.18Å; K266-A269 HydrophobicContact CB-CB 4.24Å; K266-A269 PolarHBondContact O-N 3.37Å
267	P	91.1	Very high	93.9	Very high	63 Å²	63	38.9 Å²	38.9	41%	0.409	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.5	-172.7	26.2	-36.2	0	0	0	114.2	Q265 A269 R270	Q265-P267 WeakPolarHBondContact O-CD 2.99Å; P267-A269 VanDerWaalsContact C-N 3.33Å; P267-R270 WeakPolarHBondContact O-CD 3.38Å; P267-R270 PolarHBondContact O-NE 2.97Å; P267-R270 PolarHBondContact O-NH1 2.85Å; P267-R270 PolarHBondContact O-NH2 2.84Å
268	N	92.1	Very high	93.8	Very high	80 Å²	80	36.9 Å²	36.9	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.9	178.2	-66.7	15.4	0	0	0	112.6	Y212 K266 R270 Q508 C509	Y212-N268 HydrophobicContact CD1-CB 4.19Å; Y212-N268 HydrophobicContact CE1-CB 4.31Å; K266-N268 PolarHBondContact O-N 3.18Å; N268-R270 PolarHBondContact O-N 2.85Å; N268-Q508 WeakPolarHBondContact CB-O 3.39Å; N268-C509 PolarHBondContact ND2-O 2.63Å
269	A	94.9	Very high	93.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	18%	0.184	C	C	.	.			trans	-93.8	79.4	173.4	0	0	0	0	0	110.4	Y212 S214 A242 K266 P267 V271	Y212-A269 HydrophobicContact CD1-CB 3.89Å; Y212-A269 HydrophobicContact CE1-CB 4.16Å; S214-A269 WeakPolarHBondContact OG-CB 3.35Å; A242-A269 HydrophobicContact CB-CB 3.45Å; A242-A269 VanDerWaalsContact CB-CB 3.45Å; K266-A269 HydrophobicContact CB-CB 4.24Å; K266-A269 PolarHBondContact O-N 3.37Å; P267-A269 VanDerWaalsContact C-N 3.33Å; A269-V271 VanDerWaalsContact C-N 3.32Å
270	R	94.2	Very high	93.2	Very high	95 Å²	95	40.1 Å²	40.1	36%	0.358	19%	0.19	S	C	.	.			trans	-74	-23	-179.7	-64.4	-61.8	-179.9	-158	-12.5	113.5	P267 N268 T296 T506 S507	P267-R270 WeakPolarHBondContact O-CD 3.38Å; P267-R270 PolarHBondContact O-NE 2.97Å; P267-R270 PolarHBondContact O-NH1 2.85Å; P267-R270 PolarHBondContact O-NH2 2.84Å; N268-R270 PolarHBondContact O-N 2.85Å; R270-T296 PolarHBondContact O-N 3.37Å; R270-T506 WeakPolarHBondContact CG-O 3.38Å; R270-S507 PolarHBondContact N-OG 3.26Å
271	V	97.3	Very high	93	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.9	179.1	176.5	0	0	0	0	110.1	L205 W210 V213 S214 A269 T296 V298 S507	L205-V271 HydrophobicContact CD1-CG1 4.36Å; W210-V271 HydrophobicContact CD2-CG2 3.54Å; W210-V271 HydrophobicContact CE3-CB 4.43Å; W210-V271 HydrophobicContact CE3-CG1 3.94Å; W210-V271 HydrophobicContact CE3-CG2 3.73Å; W210-V271 HydrophobicContact CG-CG2 3.92Å; W210-V271 HydrophobicContact CH2-CG2 4.4Å; W210-V271 HydrophobicContact CZ2-CG2 4.22Å; W210-V271 HydrophobicContact CZ3-CG1 4.26Å; W210-V271 HydrophobicContact CZ3-CG2 4.17Å; V213-V271 HydrophobicContact CB-CB 4.41Å; V213-V271 HydrophobicContact CB-CG1 4.45Å; V213-V271 HydrophobicContact CG1-CB 3.94Å; V213-V271 HydrophobicContact CG1-CG1 4.02Å; S214-V271 PolarHBondContact N-O 2.99Å; A269-V271 VanDerWaalsContact C-N 3.32Å; V271-T296 WeakPolarHBondContact CA-O 3.2Å; V271-T296 HydrophobicContact CG2-CG2 4.48Å; V271-V298 HydrophobicContact CG1-CG2 3.84Å; V271-S507 PolarHBondContact N-OG 2.71Å
272	V	97.9	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.2	179.1	-173	0	0	0	0	109.6	S214 V216 L263 L274 F295 T296 W297 V298	S214-V272 CarbonylContact O-C 3.53Å; S214-V272 WeakPolarHBondContact O-CA 3.26Å; V216-V272 HydrophobicContact CG2-CG1 3.87Å; L263-V272 HydrophobicContact CD1-CG1 4.09Å; L263-V272 HydrophobicContact CD1-CG2 4.43Å; L263-V272 HydrophobicContact CD2-CG1 4.02Å; L263-V272 HydrophobicContact CD2-CG2 4.2Å; V272-L274 HydrophobicContact CG1-CD2 3.85Å; V272-F295 HydrophobicContact CG2-CB 3.87Å; V272-F295 HydrophobicContact CG2-CD1 3.58Å; V272-F295 HydrophobicContact CG2-CD2 4.44Å; V272-F295 HydrophobicContact CG2-CE1 4.19Å; V272-F295 HydrophobicContact CG2-CG 3.73Å; V272-T296 PolarHBondContact N-O 3.28Å; V272-W297 HydrophobicContact CB-CE3 3.88Å; V272-W297 HydrophobicContact CB-CZ3 3.98Å; V272-W297 HydrophobicContact CG1-CE3 4.12Å; V272-W297 HydrophobicContact CG1-CZ3 3.92Å; V272-W297 HydrophobicContact CG2-CZ3 4.41Å; V272-W297 WeakPolarHBondContact O-CA 3.44Å; V272-V298 PolarHBondContact O-N 3.37Å
273	V	98.3	Very high	92.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.9	-178	175.1	0	0	0	0	109.8	M201 L205 V213 S214 T215 V216 I227 F230 V298	M201-V273 HydrophobicContact CE-CG1 3.86Å; L205-V273 HydrophobicContact CD1-CG2 4.36Å; L205-V273 HydrophobicContact CD2-CG2 3.89Å; V213-V273 HydrophobicContact CG2-CG2 4.35Å; S214-V273 PolarHBondContact O-N 2.88Å; T215-V273 WeakPolarHBondContact CA-O 3.5Å; T215-V273 HydrophobicContact CG2-CB 4.3Å; V216-V273 PolarHBondContact N-O 3.37Å; I227-V273 HydrophobicContact CD1-CG1 3.99Å; F230-V273 HydrophobicContact CD1-CG1 3.95Å; F230-V273 HydrophobicContact CD2-CG1 4.22Å; F230-V273 HydrophobicContact CE1-CB 4.18Å; F230-V273 HydrophobicContact CE1-CG1 3.86Å; F230-V273 HydrophobicContact CE1-CG2 4.11Å; F230-V273 HydrophobicContact CE2-CG1 4.12Å; F230-V273 HydrophobicContact CE2-CG2 4.29Å; F230-V273 HydrophobicContact CG-CG1 4.15Å; F230-V273 HydrophobicContact CZ-CB 4.25Å; F230-V273 HydrophobicContact CZ-CG1 3.96Å; F230-V273 HydrophobicContact CZ-CG2 3.73Å; V273-V298 CarbonylContact C-O 3.55Å; V273-V298 WeakPolarHBondContact CA-O 3.3Å; V273-V298 HydrophobicContact CG2-CB 4.39Å
274	L	97.6	Very high	92.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.1	-174.5	-53.8	-178.4	0	0	0	111.8	V216 V272 M276 L284 W297 V298 A299 S300 W303	V216-L274 HydrophobicContact CB-CD2 3.75Å; V216-L274 HydrophobicContact CG2-CD2 3.95Å; V216-L274 WeakPolarHBondContact O-CA 3.47Å; V272-L274 HydrophobicContact CG1-CD2 3.85Å; L274-M276 HydrophobicContact CB-CG 4.44Å; L274-M276 HydrophobicContact CB-SD 4.38Å; L274-M276 HydrophobicContact CD2-SD 3.93Å; L274-L284 HydrophobicContact CD2-CD2 3.81Å; L274-W297 HydrophobicContact CD1-CD2 4.48Å; L274-W297 HydrophobicContact CD1-CE3 3.78Å; L274-W297 HydrophobicContact CD1-CZ3 4.38Å; L274-W297 HydrophobicContact CD2-CE3 4.17Å; L274-W297 HydrophobicContact CD2-CZ3 4.26Å; L274-W297 HydrophobicContact CG-CE3 4.17Å; L274-V298 PolarHBondContact N-O 3.2Å; L274-A299 HydrophobicContact CB-CB 4.07Å; L274-A299 HydrophobicContact CD1-CB 4.33Å; L274-S300 PolarHBondContact O-N 3.27Å; L274-S300 PolarHBondContact O-OG 3.49Å; L274-W303 HydrophobicContact CD1-CE3 3.82Å; L274-W303 HydrophobicContact CD1-CZ3 3.61Å
275	F	96.2	Very high	92.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	75.2	166.9	-104.9	-82	0	0	0	109.3	D194 Q197 A198 M201 V216 A217 S218 G223 G226 I227 F230	D194-F275 HydrophobicContact CB-CE1 4.26Å; Q197-F275 HydrophobicContact CB-CZ 4.2Å; Q197-F275 HydrophobicContact CG-CZ 4.05Å; A198-F275 HydrophobicContact CB-CZ 4.34Å; M201-F275 HydrophobicContact CE-CD2 4.43Å; M201-F275 HydrophobicContact CE-CE2 4.24Å; M201-F275 HydrophobicContact SD-CD2 4.22Å; M201-F275 HydrophobicContact SD-CE2 3.47Å; M201-F275 WeakPolarHBondContact SD-CE2 3.32Å; M201-F275 HydrophobicContact SD-CZ 3.92Å; V216-F275 PolarHBondContact O-N 3Å; A217-F275 WeakPolarHBondContact CA-O 3.41Å; S218-F275 PolarHBondContact N-O 3.43Å; S218-F275 VanDerWaalsContact N-O 3.09Å; G223-F275 WeakPolarHBondContact CA-O 3.22Å; G226-F275 VanDerWaalsContact CA-CD1 3.5Å; I227-F275 HydrophobicContact CB-CB 4.02Å; I227-F275 HydrophobicContact CD1-CB 4.06Å; I227-F275 HydrophobicContact CD1-CD2 3.88Å; I227-F275 HydrophobicContact CD1-CG 4.42Å; F230-F275 HydrophobicContact CB-CD2 4.31Å; F230-F275 HydrophobicContact CB-CE2 3.96Å
276	M	91.9	Very high	92.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.			trans	-133.8	147.4	-163.7	-70.2	-178.7	60.9	0	0	113	V216 S218 V247 L274 D280 S281 L284 G302	V216-M276 HydrophobicContact CB-SD 3.9Å; V216-M276 HydrophobicContact CG1-SD 3.63Å; S218-M276 WeakPolarHBondContact OG-CA 3.2Å; V247-M276 HydrophobicContact CG2-CE 3.57Å; V247-M276 HydrophobicContact CG2-SD 4.46Å; L274-M276 HydrophobicContact CB-CG 4.44Å; L274-M276 HydrophobicContact CB-SD 4.38Å; L274-M276 HydrophobicContact CD2-SD 3.93Å; M276-D280 VanDerWaalsContact CE-C 3.45Å; M276-D280 HydrophobicContact CE-CB 3.64Å; M276-D280 WeakPolarHBondContact CE-O 3.18Å; M276-S281 VanDerWaalsContact CB-OG 3.27Å; M276-S281 WeakPolarHBondContact CB-OG 3.31Å; M276-L284 HydrophobicContact CE-CB 4.01Å; M276-L284 HydrophobicContact CE-CD2 3.88Å; M276-L284 HydrophobicContact SD-CD2 3.59Å; M276-L284 VanDerWaalsContact SD-CD2 3.59Å; M276-G302 WeakPolarHBondContact O-CA 3.38Å
277	R	88.3	Confident	92.2	Very high	24 Å²	24	27.9 Å²	27.9	9%	0.091	14%	0.137	C	C	.	.			trans	-68.5	151.8	169.9	-58.5	163.1	46.2	125.8	-1	109.8	S218 Y222 D279 D280 S281	S218-R277 PolarHBondContact OG-N 2.85Å; Y222-R277 HydrophobicContact CD1-CG 4.48Å; R277-D279 VanDerWaalsContact C-N 3.27Å; R277-D279 WeakPolarHBondContact CB-OD1 3.32Å; R277-D279 IonicContact CZ-OD1 3.22Å; R277-D279 IonicContact CZ-OD2 3.15Å; R277-D279 IonicContact NE-OD1 3.25Å; R277-D279 PolarHBondContact NE-OD1 3.33Å; R277-D279 IonicContact NE-OD2 2.66Å; R277-D279 PolarHBondContact NE-OD2 2.83Å; R277-D279 IonicContact NH2-OD1 2.7Å; R277-D279 PolarHBondContact NH2-OD1 2.93Å; R277-D279 IonicContact NH2-OD2 2.71Å; R277-D279 PolarHBondContact NH2-OD2 3.34Å; R277-D279 PolarHBondContact O-N 3.17Å; R277-D280 WeakPolarHBondContact CD-OD2 3.04Å; R277-D280 IonicContact NE-OD2 2.7Å; R277-D280 PolarHBondContact O-N 2.96Å; R277-D280 VanDerWaalsContact O-N 3.16Å; R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 2.73Å; R277-S281 PolarHBondContact O-OG 3.23Å; R277-S281 VanDerWaalsContact O-OG 3.05Å
278	S	86.1	Confident	92.3	Very high	16 Å²	16	24.9 Å²	24.9	11%	0.112	12%	0.117	C	C	.	.	H	α-helix	trans	-56	-36.7	179.3	49.3	0	0	0	0	114.7	R64 R282 G302	R64-S278 VanDerWaalsContact CZ-OG 3.24Å; R64-S278 PolarHBondContact NH1-OG 3.44Å; S278-R282 WeakPolarHBondContact O-CB 3.07Å; S278-R282 PolarHBondContact O-N 3Å; S278-G302 WeakPolarHBondContact CB-O 3.26Å; S278-G302 PolarHBondContact N-O 2.99Å
279	D	83.1	Confident	92.4	Very high	58 Å²	58	22.5 Å²	22.5	31%	0.31	11%	0.107	S	C	.	.	H	α-helix	trans	-68.8	-42.8	178.7	46.9	-28.8	0	0	0	111.6	R277 E283	R277-D279 VanDerWaalsContact C-N 3.27Å; R277-D279 WeakPolarHBondContact CB-OD1 3.32Å; R277-D279 IonicContact CZ-OD1 3.22Å; R277-D279 IonicContact CZ-OD2 3.15Å; R277-D279 IonicContact NE-OD1 3.25Å; R277-D279 PolarHBondContact NE-OD1 3.33Å; R277-D279 IonicContact NE-OD2 2.66Å; R277-D279 PolarHBondContact NE-OD2 2.83Å; R277-D279 IonicContact NH2-OD1 2.7Å; R277-D279 PolarHBondContact NH2-OD1 2.93Å; R277-D279 IonicContact NH2-OD2 2.71Å; R277-D279 PolarHBondContact NH2-OD2 3.34Å; R277-D279 PolarHBondContact O-N 3.17Å; D279-E283 PolarHBondContact O-N 2.81Å
280	D	87.8	Confident	92.3	Very high	22 Å²	22	29.1 Å²	29.1	12%	0.118	13%	0.132	C	C	.	.	H	α-helix	trans	-72	-37.5	175.5	-50.4	-41.5	0	0	0	111.8	S218 V247 Y256 M276 R277 R282 E283 L284	S218-D280 VanDerWaalsContact CB-OD2 3.27Å; S218-D280 WeakPolarHBondContact CB-OD2 3.03Å; S218-D280 PolarHBondContact OG-OD2 3.21Å; V247-D280 HydrophobicContact CG2-CB 4.17Å; Y256-D280 HydrophobicContact CE1-CB 4.3Å; Y256-D280 WeakPolarHBondContact CE1-O 3.44Å; Y256-D280 WeakPolarHBondContact OH-CA 3.34Å; Y256-D280 WeakPolarHBondContact OH-CB 3.28Å; Y256-D280 PolarHBondContact OH-OD1 3.12Å; M276-D280 VanDerWaalsContact CE-C 3.45Å; M276-D280 HydrophobicContact CE-CB 3.64Å; M276-D280 WeakPolarHBondContact CE-O 3.18Å; R277-D280 WeakPolarHBondContact CD-OD2 3.04Å; R277-D280 IonicContact NE-OD2 2.7Å; R277-D280 PolarHBondContact O-N 2.96Å; R277-D280 VanDerWaalsContact O-N 3.16Å; D280-R282 PolarHBondContact O-N 3.17Å; D280-E283 PolarHBondContact O-N 2.88Å; D280-L284 WeakPolarHBondContact O-CB 3.4Å; D280-L284 PolarHBondContact O-N 3.48Å
281	S	91.8	Very high	92.2	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-42.7	177	-66.8	0	0	0	0	111.9	M276 R277 L284 I285	M276-S281 VanDerWaalsContact CB-OG 3.27Å; M276-S281 WeakPolarHBondContact CB-OG 3.31Å; R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 2.73Å; R277-S281 PolarHBondContact O-OG 3.23Å; R277-S281 VanDerWaalsContact O-OG 3.05Å; S281-L284 PolarHBondContact O-N 3.25Å; S281-I285 WeakPolarHBondContact O-CG1 3.47Å; S281-I285 PolarHBondContact O-N 2.78Å
282	R	89.5	Confident	91.9	Very high	124 Å²	124	33.5 Å²	33.5	47%	0.468	17%	0.169	S	C	.	.	H	α-helix	trans	-61.7	-44.4	178.5	176.6	163.1	174.7	-94.5	-11	111.7	S278 D280 A286 I309	S278-R282 WeakPolarHBondContact O-CB 3.07Å; S278-R282 PolarHBondContact O-N 3Å; D280-R282 PolarHBondContact O-N 3.17Å; R282-A286 VanDerWaalsContact O-CB 3.31Å; R282-A286 WeakPolarHBondContact O-CB 3.48Å; R282-A286 PolarHBondContact O-N 3.21Å; R282-I309 HydrophobicContact CB-CG2 4.16Å; R282-I309 WeakPolarHBondContact CG-O 3.23Å
283	E	88.6	Confident	91.5	Very high	76 Å²	76	33.8 Å²	33.8	36%	0.355	17%	0.172	S	C	.	.	H	α-helix	trans	-71.7	-32.7	178	-65.9	-57	141.7	0	0	112.9	Y256 D279 D280 A287	Y256-E283 HydrophobicContact CD1-CB 4.31Å; Y256-E283 HydrophobicContact CD2-CB 3.7Å; Y256-E283 HydrophobicContact CE1-CB 4.12Å; Y256-E283 HydrophobicContact CE2-CB 3.49Å; Y256-E283 VanDerWaalsContact CE2-CB 3.49Å; Y256-E283 HydrophobicContact CE2-CG 4.26Å; Y256-E283 HydrophobicContact CG-CB 4.12Å; D279-E283 PolarHBondContact O-N 2.81Å; D280-E283 PolarHBondContact O-N 2.88Å; E283-A287 WeakPolarHBondContact O-CB 3.49Å; E283-A287 PolarHBondContact O-N 3.42Å
284	L	92.3	Very high	91.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-45.4	173.1	-174.7	68.3	0	0	0	112.2	V216 Y256 V259 I260 L274 M276 D280 S281 A287 A288	V216-L284 HydrophobicContact CB-CD2 4.37Å; V216-L284 HydrophobicContact CG1-CD2 4.12Å; V216-L284 HydrophobicContact CG2-CD2 4.4Å; Y256-L284 HydrophobicContact CD1-CB 3.8Å; Y256-L284 HydrophobicContact CD1-CD1 4.05Å; Y256-L284 HydrophobicContact CE1-CB 4.28Å; V259-L284 HydrophobicContact CB-CD1 4.28Å; V259-L284 HydrophobicContact CG1-CD1 3.92Å; I260-L284 HydrophobicContact CD1-CD1 3.65Å; I260-L284 HydrophobicContact CD1-CG 4.22Å; I260-L284 HydrophobicContact CG1-CD1 4.17Å; L274-L284 HydrophobicContact CD2-CD2 3.81Å; M276-L284 HydrophobicContact CE-CB 4.01Å; M276-L284 HydrophobicContact CE-CD2 3.88Å; M276-L284 HydrophobicContact SD-CD2 3.59Å; M276-L284 VanDerWaalsContact SD-CD2 3.59Å; D280-L284 WeakPolarHBondContact O-CB 3.4Å; D280-L284 PolarHBondContact O-N 3.48Å; S281-L284 PolarHBondContact O-N 3.25Å; L284-A287 WeakPolarHBondContact O-CB 3.49Å; L284-A287 PolarHBondContact O-N 3.27Å; L284-A288 PolarHBondContact O-N 2.71Å
285	I	93.9	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.5	-36.6	178.4	-65.1	-60.2	0	0	0	111	S281 A287 A288 S289 W297 W303	S281-I285 WeakPolarHBondContact O-CG1 3.47Å; S281-I285 PolarHBondContact O-N 2.78Å; I285-A287 VanDerWaalsContact C-N 3.34Å; I285-A287 PolarHBondContact O-N 3.08Å; I285-A288 PolarHBondContact O-N 3.31Å; I285-S289 PolarHBondContact O-N 2.59Å; I285-W297 HydrophobicContact CD1-CD2 3.78Å; I285-W297 VanDerWaalsContact CD1-CE2 3.48Å; I285-W297 HydrophobicContact CD1-CE3 4.16Å; I285-W297 HydrophobicContact CD1-CG 4.34Å; I285-W297 HydrophobicContact CD1-CH2 3.98Å; I285-W297 HydrophobicContact CD1-CZ2 3.6Å; I285-W297 HydrophobicContact CD1-CZ3 4.25Å; I285-W303 HydrophobicContact CD1-CH2 3.68Å; I285-W303 HydrophobicContact CD1-CZ3 3.74Å; I285-W303 HydrophobicContact CG1-CH2 3.79Å; I285-W303 HydrophobicContact CG1-CZ3 3.85Å
286	A	91.3	Very high	90.9	Very high	24 Å²	24	37.5 Å²	37.5	20%	0.198	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-38.5	169.8	0	0	0	0	0	112.3	R282 S289 R290	R282-A286 VanDerWaalsContact O-CB 3.31Å; R282-A286 WeakPolarHBondContact O-CB 3.48Å; R282-A286 PolarHBondContact O-N 3.21Å; A286-S289 PolarHBondContact O-N 3.27Å; A286-R290 WeakPolarHBondContact O-CG 3.28Å; A286-R290 PolarHBondContact O-N 3.34Å
287	A	91.9	Very high	91.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-39.9	173.8	0	0	0	0	0	112.6	I260 E283 L284 I285 S289 R290 A291	I260-A287 HydrophobicContact CG1-CB 4Å; E283-A287 WeakPolarHBondContact O-CB 3.49Å; E283-A287 PolarHBondContact O-N 3.42Å; L284-A287 WeakPolarHBondContact O-CB 3.49Å; L284-A287 PolarHBondContact O-N 3.27Å; I285-A287 VanDerWaalsContact C-N 3.34Å; I285-A287 PolarHBondContact O-N 3.08Å; A287-S289 VanDerWaalsContact C-N 3.31Å; A287-S289 PolarHBondContact O-N 2.96Å; A287-R290 PolarHBondContact O-N 2.84Å; A287-A291 WeakPolarHBondContact O-CB 3.36Å; A287-A291 PolarHBondContact O-N 3.48Å
288	A	93.9	Very high	91.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-39	174.6	0	0	0	0	0	111.7	I260 L284 I285 A291 N292 A293 W297 V316	I260-A288 HydrophobicContact CD1-CB 3.74Å; I260-A288 HydrophobicContact CG1-CB 4.32Å; L284-A288 PolarHBondContact O-N 2.71Å; I285-A288 PolarHBondContact O-N 3.31Å; A288-A291 CarbonylContact O-C 3.6Å; A288-A291 PolarHBondContact O-N 3.24Å; A288-N292 PolarHBondContact O-N 3.32Å; A288-N292 VanDerWaalsContact O-N 3.08Å; A288-A293 HydrophobicContact CB-CB 4.43Å; A288-A293 PolarHBondContact O-N 3.39Å; A288-W297 HydrophobicContact CB-CH2 4.03Å; A288-W297 HydrophobicContact CB-CZ2 3.83Å; A288-V316 HydrophobicContact CB-CG1 3.7Å
289	S	93.6	Very high	92.1	Very high	30 Å²	30	35.7 Å²	35.7	21%	0.21	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-44.2	173	-174.5	0	0	0	0	112.8	I285 A286 A287 A291 N292 S313 H315	I285-S289 PolarHBondContact O-N 2.59Å; A286-S289 PolarHBondContact O-N 3.27Å; A287-S289 VanDerWaalsContact C-N 3.31Å; A287-S289 PolarHBondContact O-N 2.96Å; S289-A291 PolarHBondContact O-N 3.02Å; S289-N292 PolarHBondContact O-N 3.17Å; S289-S313 WeakPolarHBondContact CB-OG 3.4Å; S289-H315 PolarHBondContact OG-CE1 3.16Å; S289-H315 PolarHBondContact OG-NE2 3.23Å
290	R	92.4	Very high	92.7	Very high	141 Å²	141	33 Å²	33	53%	0.532	17%	0.173	S	C	.	.	H	α-helix	trans	-57.3	-33.9	172.5	-71.9	-172.5	-59.4	-95.3	12.7	113	D257 A286 A287	D257-R290 IonicContact OD1-CZ 2.73Å; D257-R290 VanDerWaalsContact OD1-CZ 3.28Å; D257-R290 IonicContact OD1-NE 3.41Å; D257-R290 PolarHBondContact OD1-NE 3.15Å; D257-R290 IonicContact OD1-NH2 2.79Å; D257-R290 PolarHBondContact OD1-NH2 2.7Å; D257-R290 IonicContact OD2-NH2 3.51Å; A286-R290 WeakPolarHBondContact O-CG 3.28Å; A286-R290 PolarHBondContact O-N 3.34Å; A287-R290 PolarHBondContact O-N 2.84Å
291	A	91.9	Very high	93	Very high	51 Å²	51	32.2 Å²	32.2	42%	0.421	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-3.8	177.7	0	0	0	0	0	114.3	I260 A287 A288 S289 A293	I260-A291 HydrophobicContact CG2-CB 3.68Å; A287-A291 WeakPolarHBondContact O-CB 3.36Å; A287-A291 PolarHBondContact O-N 3.48Å; A288-A291 CarbonylContact O-C 3.6Å; A288-A291 PolarHBondContact O-N 3.24Å; S289-A291 PolarHBondContact O-N 3.02Å; A291-A293 HydrophobicContact CB-CB 4.29Å; A291-A293 PolarHBondContact O-N 3.13Å
292	N	91	Very high	92.9	Very high	136 Å²	136	32.4 Å²	32.4	73%	0.727	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	39.1	-169	-165.7	29.4	0	0	0	113.1	A288 S289	A288-N292 PolarHBondContact O-N 3.32Å; A288-N292 VanDerWaalsContact O-N 3.08Å; S289-N292 PolarHBondContact O-N 3.17Å
293	A	90.9	Very high	93	Very high	6 Å²	6	26.6 Å²	26.6	5%	0.05	15%	0.149	C	C	.	.			trans	-84.9	137.8	-176.3	0	0	0	0	0	111.5	I260 L264 A288 A291 F295	I260-A293 HydrophobicContact CG2-CB 3.81Å; L264-A293 HydrophobicContact CD1-CB 4.34Å; L264-A293 HydrophobicContact CD2-CB 4.25Å; A288-A293 HydrophobicContact CB-CB 4.43Å; A288-A293 PolarHBondContact O-N 3.39Å; A291-A293 HydrophobicContact CB-CB 4.29Å; A291-A293 PolarHBondContact O-N 3.13Å; A293-F295 HydrophobicContact CB-CD2 4.14Å; A293-F295 HydrophobicContact CB-CE2 3.67Å; A293-F295 HydrophobicContact CB-CZ 4.5Å
294	S	89.2	Confident	93.1	Very high	57 Å²	57	23 Å²	23	40%	0.399	13%	0.132	S	C	.	.			trans	-118.2	112.9	-179.1	177.7	0	0	0	0	110
295	F	93.9	Very high	93	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.039	14%	0.139	C	C	.	.			trans	-133.7	161.3	179.2	-63.2	-71.2	0	0	0	110	L263 L264 V272 A293 W297	L263-F295 HydrophobicContact CB-CE1 4.03Å; L263-F295 HydrophobicContact CB-CE2 4.19Å; L263-F295 HydrophobicContact CB-CZ 3.52Å; L263-F295 HydrophobicContact CD1-CE2 4.42Å; L263-F295 HydrophobicContact CD1-CZ 4.49Å; L264-F295 HydrophobicContact CD2-CE2 4.47Å; L264-F295 HydrophobicContact CD2-CZ 3.86Å; L264-F295 HydrophobicContact CG-CZ 4.01Å; V272-F295 HydrophobicContact CG2-CB 3.87Å; V272-F295 HydrophobicContact CG2-CD1 3.58Å; V272-F295 HydrophobicContact CG2-CD2 4.44Å; V272-F295 HydrophobicContact CG2-CE1 4.19Å; V272-F295 HydrophobicContact CG2-CG 3.73Å; A293-F295 HydrophobicContact CB-CD2 4.14Å; A293-F295 HydrophobicContact CB-CE2 3.67Å; A293-F295 HydrophobicContact CB-CZ 4.5Å; F295-W297 HydrophobicContact CB-CD2 4.33Å; F295-W297 HydrophobicContact CB-CH2 4.25Å; F295-W297 HydrophobicContact CB-CZ2 4Å; F295-W297 HydrophobicContact CB-CZ3 4.49Å; F295-W297 AromaticContact CD2-CH2 3.63Å; F295-W297 HydrophobicContact CD2-CH2 3.63Å; F295-W297 AromaticContact CD2-CZ2 3.78Å; F295-W297 HydrophobicContact CD2-CZ2 3.78Å; F295-W297 HydrophobicContact CD2-CZ3 4.36Å; F295-W297 HydrophobicContact CE2-CH2 4.41Å; F295-W297 HydrophobicContact CG-CH2 4.31Å; F295-W297 HydrophobicContact CG-CZ2 4.37Å
296	T	95.3	Very high	92.6	Very high	13 Å²	13	24.8 Å²	24.8	8%	0.08	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.5	168	-57.4	0	0	0	0	108.6	W210 R270 V271 V272 W499 P505	W210-T296 HydrophobicContact CH2-CG2 4.18Å; W210-T296 HydrophobicContact CZ2-CG2 4.5Å; R270-T296 PolarHBondContact O-N 3.37Å; V271-T296 WeakPolarHBondContact CA-O 3.2Å; V271-T296 HydrophobicContact CG2-CG2 4.48Å; V272-T296 PolarHBondContact N-O 3.28Å; T296-W499 HydrophobicContact CG2-CE3 4.5Å; T296-W499 HydrophobicContact CG2-CZ3 4.17Å; T296-P505 HydrophobicContact CG2-CG 4.13Å; T296-P505 WeakPolarHBondContact OG1-CG 3.45Å
297	W	96.5	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.4	-176.4	-48.3	99.2	0	0	0	111.1	I260 V272 L274 I285 A288 F295 W303 V316 A320 I321	I260-W297 HydrophobicContact CD1-CH2 4.32Å; V272-W297 HydrophobicContact CB-CE3 3.88Å; V272-W297 HydrophobicContact CB-CZ3 3.98Å; V272-W297 HydrophobicContact CG1-CE3 4.12Å; V272-W297 HydrophobicContact CG1-CZ3 3.92Å; V272-W297 HydrophobicContact CG2-CZ3 4.41Å; V272-W297 WeakPolarHBondContact O-CA 3.44Å; L274-W297 HydrophobicContact CD1-CD2 4.48Å; L274-W297 HydrophobicContact CD1-CE3 3.78Å; L274-W297 HydrophobicContact CD1-CZ3 4.38Å; L274-W297 HydrophobicContact CD2-CE3 4.17Å; L274-W297 HydrophobicContact CD2-CZ3 4.26Å; L274-W297 HydrophobicContact CG-CE3 4.17Å; I285-W297 HydrophobicContact CD1-CD2 3.78Å; I285-W297 VanDerWaalsContact CD1-CE2 3.48Å; I285-W297 HydrophobicContact CD1-CE3 4.16Å; I285-W297 HydrophobicContact CD1-CG 4.34Å; I285-W297 HydrophobicContact CD1-CH2 3.98Å; I285-W297 HydrophobicContact CD1-CZ2 3.6Å; I285-W297 HydrophobicContact CD1-CZ3 4.25Å; A288-W297 HydrophobicContact CB-CH2 4.03Å; A288-W297 HydrophobicContact CB-CZ2 3.83Å; F295-W297 HydrophobicContact CB-CD2 4.33Å; F295-W297 HydrophobicContact CB-CH2 4.25Å; F295-W297 HydrophobicContact CB-CZ2 4Å; F295-W297 HydrophobicContact CB-CZ3 4.49Å; F295-W297 AromaticContact CD2-CH2 3.63Å; F295-W297 HydrophobicContact CD2-CH2 3.63Å; F295-W297 AromaticContact CD2-CZ2 3.78Å; F295-W297 HydrophobicContact CD2-CZ2 3.78Å; F295-W297 HydrophobicContact CD2-CZ3 4.36Å; F295-W297 HydrophobicContact CE2-CH2 4.41Å; F295-W297 HydrophobicContact CG-CH2 4.31Å; F295-W297 HydrophobicContact CG-CZ2 4.37Å; W297-W303 HydrophobicContact CB-CH2 4.35Å; W297-W303 HydrophobicContact CB-CZ3 4.17Å; W297-W303 HydrophobicContact CG-CH2 4.29Å; W297-W303 HydrophobicContact CG-CZ3 4.31Å; W297-V316 HydrophobicContact CZ2-CG1 3.83Å; W297-V316 PolarHBondContact NE1-O 2.89Å; W297-A320 HydrophobicContact CB-CB 3.89Å; W297-A320 HydrophobicContact CG-CB 4.45Å; W297-A320 WeakPolarHBondContact O-CA 3.4Å; W297-I321 PolarHBondContact O-N 3.06Å
298	V	98	Very high	91.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.1	169.9	-178.9	0	0	0	0	107.9	M201 L205 W210 V271 V272 V273 L274 I321	M201-V298 HydrophobicContact CE-CG1 4.01Å; M201-V298 WeakPolarHBondContact CE-O 3.46Å; M201-V298 HydrophobicContact CG-CG1 4.47Å; L205-V298 HydrophobicContact CD1-CB 4.27Å; L205-V298 HydrophobicContact CD1-CG1 3.97Å; L205-V298 HydrophobicContact CD1-CG2 3.99Å; W210-V298 HydrophobicContact CZ3-CG2 3.93Å; V271-V298 HydrophobicContact CG1-CG2 3.84Å; V272-V298 PolarHBondContact O-N 3.37Å; V273-V298 CarbonylContact C-O 3.55Å; V273-V298 WeakPolarHBondContact CA-O 3.3Å; V273-V298 HydrophobicContact CG2-CB 4.39Å; L274-V298 PolarHBondContact N-O 3.2Å; V298-I321 CarbonylContact C-O 3.44Å; V298-I321 VanDerWaalsContact CA-O 3.28Å; V298-I321 WeakPolarHBondContact CA-O 3.49Å
299	A	97.3	Very high	91.6	Very high	1 Å²	1	30 Å²	30	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.2	-166	0	0	0	0	0	114.7	L274 W303 I321 T322 L323	L274-A299 HydrophobicContact CB-CB 4.07Å; L274-A299 HydrophobicContact CD1-CB 4.33Å; A299-W303 HydrophobicContact CB-CB 3.96Å; A299-W303 HydrophobicContact CB-CD2 4.04Å; A299-W303 HydrophobicContact CB-CE3 3.52Å; A299-W303 HydrophobicContact CB-CG 4.28Å; A299-W303 HydrophobicContact CB-CZ3 4.25Å; A299-I321 PolarHBondContact N-O 2.87Å; A299-T322 HydrophobicContact CB-CG2 4.09Å; A299-L323 PolarHBondContact O-N 2.94Å
300	S	96.3	Very high	91.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	16%	0.161	C	C	.	.			trans	-70.3	172.9	172.4	69.2	0	0	0	0	113.6	Q197 Y222 L274 G302 W303 G304 L323	Q197-S300 VanDerWaalsContact OE1-CB 3.27Å; Y222-S300 WeakPolarHBondContact OH-CB 3.4Å; Y222-S300 PolarHBondContact OH-OG 3.37Å; L274-S300 PolarHBondContact O-N 3.27Å; L274-S300 PolarHBondContact O-OG 3.49Å; S300-G302 PolarHBondContact O-N 3.28Å; S300-G302 VanDerWaalsContact O-N 3.13Å; S300-W303 WeakPolarHBondContact O-CB 3.26Å; S300-W303 PolarHBondContact O-N 3.06Å; S300-G304 PolarHBondContact O-N 2.88Å; S300-G304 VanDerWaalsContact O-N 3.1Å; S300-L323 CarbonylContact C-O 3.6Å
301	D	92.9	Very high	91.3	Very high	5 Å²	5	30 Å²	30	3%	0.027	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-2.9	178.1	82.5	-56.9	0	0	0	114.6	Q197 Y222 L323 K389	Q197-D301 VanDerWaalsContact NE2-N 3.11Å; Q197-D301 PolarHBondContact NE2-OD1 3.13Å; Y222-D301 PolarHBondContact OH-OD1 2.98Å; Y222-D301 VanDerWaalsContact OH-OD1 3.08Å; D301-L323 WeakPolarHBondContact CA-O 3.37Å; D301-L323 WeakPolarHBondContact CB-O 3.45Å; D301-L323 PolarHBondContact N-O 3.34Å; D301-K389 PolarHBondContact O-NZ 3.2Å; D301-K389 WeakPolarHBondContact OD2-CE 3.48Å; D301-K389 IonicContact OD2-NZ 3.19Å; D301-K389 PolarHBondContact OD2-NZ 2.9Å
302	G	89.8	Confident	91.2	Very high	6 Å²	6	30.1 Å²	30.1	6%	0.062	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32	162.7	0	0	0	0	0	111.5	R64 Y222 M276 S278 S300	R64-G302 PolarHBondContact NH2-O 3.13Å; Y222-G302 PolarHBondContact OH-N 2.91Å; M276-G302 WeakPolarHBondContact O-CA 3.38Å; S278-G302 WeakPolarHBondContact CB-O 3.26Å; S278-G302 PolarHBondContact N-O 2.99Å; S300-G302 PolarHBondContact O-N 3.28Å; S300-G302 VanDerWaalsContact O-N 3.13Å
303	W	92.3	Very high	91.2	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-60	163.6	-170.4	-26.3	0	0	0	110.9	L274 I285 W297 A299 S300 I309 I310 A317 A320 T322 Y480	L274-W303 HydrophobicContact CD1-CE3 3.82Å; L274-W303 HydrophobicContact CD1-CZ3 3.61Å; I285-W303 HydrophobicContact CD1-CH2 3.68Å; I285-W303 HydrophobicContact CD1-CZ3 3.74Å; I285-W303 HydrophobicContact CG1-CH2 3.79Å; I285-W303 HydrophobicContact CG1-CZ3 3.85Å; W297-W303 HydrophobicContact CB-CH2 4.35Å; W297-W303 HydrophobicContact CB-CZ3 4.17Å; W297-W303 HydrophobicContact CG-CH2 4.29Å; W297-W303 HydrophobicContact CG-CZ3 4.31Å; A299-W303 HydrophobicContact CB-CB 3.96Å; A299-W303 HydrophobicContact CB-CD2 4.04Å; A299-W303 HydrophobicContact CB-CE3 3.52Å; A299-W303 HydrophobicContact CB-CG 4.28Å; A299-W303 HydrophobicContact CB-CZ3 4.25Å; S300-W303 WeakPolarHBondContact O-CB 3.26Å; S300-W303 PolarHBondContact O-N 3.06Å; W303-I309 HydrophobicContact CB-CD1 4.36Å; W303-I309 HydrophobicContact CD2-CG2 4.44Å; W303-I309 HydrophobicContact CG-CD1 4.25Å; W303-I309 HydrophobicContact CG-CG2 4.39Å; W303-I309 WeakPolarHBondContact O-CD1 3.36Å; W303-I310 HydrophobicContact CH2-CG2 4.38Å; W303-I310 HydrophobicContact CZ2-CG2 3.37Å; W303-A317 HydrophobicContact CH2-CB 4.29Å; W303-A317 HydrophobicContact CZ2-CB 4.06Å; W303-A320 HydrophobicContact CH2-CB 4.48Å; W303-T322 HydrophobicContact CD2-CG2 4.24Å; W303-T322 HydrophobicContact CG-CG2 4.26Å; W303-Y480 AromaticContact NE1-CZ 3.75Å; W303-Y480 PolarHBondContact NE1-OH 2.96Å
304	G	91.3	Very high	91.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-140.8	-176.4	0	0	0	0	0	112.9	S300 T322	S300-G304 PolarHBondContact O-N 2.88Å; S300-G304 VanDerWaalsContact O-N 3.1Å; G304-T322 VanDerWaalsContact O-CB 3.26Å; G304-T322 WeakPolarHBondContact O-CB 3.34Å; G304-T322 PolarHBondContact O-OG1 2.96Å
305	A	89.3	Confident	91.4	Very high	19 Å²	19	28.7 Å²	28.7	16%	0.157	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	26.4	179.3	0	0	0	0	0	114	E307 E324 F469 Y480	A305-E307 PolarHBondContact O-N 3.4Å; A305-E324 WeakPolarHBondContact CB-OE2 3.47Å; A305-F469 HydrophobicContact CB-CD1 4.32Å; A305-F469 HydrophobicContact CB-CD2 4.23Å; A305-F469 HydrophobicContact CB-CE1 4.36Å; A305-F469 HydrophobicContact CB-CE2 4.25Å; A305-F469 HydrophobicContact CB-CG 4.26Å; A305-F469 HydrophobicContact CB-CZ 4.32Å; A305-Y480 VanDerWaalsContact C-CD2 3.44Å; A305-Y480 HydrophobicContact CB-CD1 4.4Å; A305-Y480 HydrophobicContact CB-CD2 4.25Å; A305-Y480 HydrophobicContact CB-CG 3.92Å; A305-Y480 WeakPolarHBondContact O-CD2 3.32Å
306	Q	86	Confident	91.3	Very high	19 Å²	19	28.8 Å²	28.8	9%	0.089	16%	0.161	C	C	.	.			trans	-88.1	107.3	-164.8	-59.2	-176.3	7	0	0	113.2	R64 S308 I309	R64-Q306 VanDerWaalsContact NE-OE1 3.13Å; Q306-S308 PolarHBondContact O-N 2.92Å; Q306-S308 VanDerWaalsContact O-N 3.11Å; Q306-I309 HydrophobicContact CB-CD1 3.99Å; Q306-I309 HydrophobicContact CB-CG1 4.22Å; Q306-I309 PolarHBondContact O-N 3.49Å
307	E	85.4	Confident	91.2	Very high	74 Å²	74	28.1 Å²	28.1	35%	0.346	16%	0.157	S	C	.	.	H	α-helix	trans	-57.5	-23.7	177.4	-69.4	-166.3	178.8	0	0	113.2	A305 I309 I310 K311 K477 Y480	A305-E307 PolarHBondContact O-N 3.4Å; E307-I309 VanDerWaalsContact C-N 3.28Å; E307-I309 PolarHBondContact O-N 3.23Å; E307-I310 VanDerWaalsContact O-CG1 3.22Å; E307-I310 WeakPolarHBondContact O-CG1 3.3Å; E307-K311 PolarHBondContact O-N 2.95Å; E307-K477 IonicContact OE1-NZ 3.2Å; E307-K477 PolarHBondContact OE1-NZ 3.14Å; E307-K477 IonicContact OE2-NZ 2.84Å; E307-Y480 HydrophobicContact CG-CD2 4.48Å
308	S	83.6	Confident	91.1	Very high	52 Å²	52	30.3 Å²	30.3	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-22.1	-179.9	55.8	0	0	0	0	114.5	Q306	Q306-S308 PolarHBondContact O-N 2.92Å; Q306-S308 VanDerWaalsContact O-N 3.11Å
309	I	87.5	Confident	90.8	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-79.6	-35.5	-178	-63	177	0	0	0	111.8	R282 W303 Q306 E307	R282-I309 HydrophobicContact CB-CG2 4.16Å; R282-I309 WeakPolarHBondContact CG-O 3.23Å; W303-I309 HydrophobicContact CB-CD1 4.36Å; W303-I309 HydrophobicContact CD2-CG2 4.44Å; W303-I309 HydrophobicContact CG-CD1 4.25Å; W303-I309 HydrophobicContact CG-CG2 4.39Å; W303-I309 WeakPolarHBondContact O-CD1 3.36Å; Q306-I309 HydrophobicContact CB-CD1 3.99Å; Q306-I309 HydrophobicContact CB-CG1 4.22Å; Q306-I309 PolarHBondContact O-N 3.49Å; E307-I309 VanDerWaalsContact C-N 3.28Å; E307-I309 PolarHBondContact O-N 3.23Å
310	I	90.9	Very high	90.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-96.2	-6.2	-172.5	50.8	162.4	0	0	0	114.4	W303 E307 G312 S313 E314 A317 F471 Y480	W303-I310 HydrophobicContact CH2-CG2 4.38Å; W303-I310 HydrophobicContact CZ2-CG2 3.37Å; E307-I310 VanDerWaalsContact O-CG1 3.22Å; E307-I310 WeakPolarHBondContact O-CG1 3.3Å; I310-G312 PolarHBondContact O-N 2.88Å; I310-G312 VanDerWaalsContact O-N 3.17Å; I310-S313 CarbonylContact O-C 3.25Å; I310-S313 WeakPolarHBondContact O-CA 3.13Å; I310-S313 PolarHBondContact O-N 3.49Å; I310-E314 HydrophobicContact CD1-CG 4.4Å; I310-E314 PolarHBondContact O-N 2.8Å; I310-A317 HydrophobicContact CB-CB 4.38Å; I310-A317 HydrophobicContact CG2-CB 3.69Å; I310-F471 HydrophobicContact CD1-CD2 3.98Å; I310-F471 HydrophobicContact CD1-CE1 4.04Å; I310-F471 HydrophobicContact CD1-CE2 3.13Å; I310-F471 HydrophobicContact CD1-CZ 3.15Å; I310-Y480 HydrophobicContact CD1-CE2 3.88Å; I310-Y480 WeakPolarHBondContact CG2-OH 3.49Å
311	K	88.3	Confident	90.8	Very high	167 Å²	167	30.3 Å²	30.3	73%	0.726	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	113.4	-168.9	-172.4	168.5	-174.4	164.1	0	112.8	E307 E314	E307-K311 PolarHBondContact O-N 2.95Å; K311-E314 WeakPolarHBondContact CA-OE1 3.33Å
312	G	88.8	Confident	91	Very high	54 Å²	54	30.1 Å²	30.1	56%	0.557	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	10.3	-173.9	0	0	0	0	0	115.1	I310 E314	I310-G312 PolarHBondContact O-N 2.88Å; I310-G312 VanDerWaalsContact O-N 3.17Å; G312-E314 WeakPolarHBondContact CA-OE2 3.46Å; G312-E314 VanDerWaalsContact N-CD 3.3Å; G312-E314 PolarHBondContact N-OE1 2.88Å; G312-E314 PolarHBondContact N-OE2 3.05Å
313	S	92.7	Very high	91.3	Very high	14 Å²	14	29.8 Å²	29.8	10%	0.098	16%	0.162	C	C	.	.			trans	-144.3	23	177.7	-64.9	0	0	0	0	112.4	S289 I310 H315 V316 A317	S289-S313 WeakPolarHBondContact CB-OG 3.4Å; I310-S313 CarbonylContact O-C 3.25Å; I310-S313 WeakPolarHBondContact O-CA 3.13Å; I310-S313 PolarHBondContact O-N 3.49Å; S313-H315 PolarHBondContact O-N 2.84Å; S313-V316 PolarHBondContact O-N 2.92Å; S313-A317 PolarHBondContact O-N 3.27Å
314	E	92.8	Very high	91.3	Very high	55 Å²	55	30.3 Å²	30.3	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-57.1	-35.9	-174	-59.1	80.9	179.8	0	0	112.4	I310 K311 G312 V316 A317 Y318 F471 Y478	I310-E314 HydrophobicContact CD1-CG 4.4Å; I310-E314 PolarHBondContact O-N 2.8Å; K311-E314 WeakPolarHBondContact CA-OE1 3.33Å; G312-E314 WeakPolarHBondContact CA-OE2 3.46Å; G312-E314 VanDerWaalsContact N-CD 3.3Å; G312-E314 PolarHBondContact N-OE1 2.88Å; G312-E314 PolarHBondContact N-OE2 3.05Å; E314-V316 PolarHBondContact O-N 2.7Å; E314-A317 PolarHBondContact O-N 2.98Å; E314-A317 VanDerWaalsContact O-N 3.11Å; E314-Y318 PolarHBondContact O-N 2.95Å; E314-F471 HydrophobicContact CB-CE1 4.16Å; E314-F471 HydrophobicContact CB-CZ 4.1Å; E314-F471 HydrophobicContact CG-CZ 4.3Å; E314-F471 WeakPolarHBondContact O-CE1 3.27Å; E314-Y478 HydrophobicContact CB-CD1 4.14Å; E314-Y478 HydrophobicContact CB-CD2 3.7Å; E314-Y478 HydrophobicContact CB-CE1 4.27Å; E314-Y478 HydrophobicContact CB-CE2 3.85Å; E314-Y478 HydrophobicContact CB-CG 3.86Å; E314-Y478 HydrophobicContact CG-CD2 4.16Å; E314-Y478 HydrophobicContact CG-CG 4.33Å
315	H	90.1	Very high	91.4	Very high	100 Å²	100	30.3 Å²	30.3	46%	0.463	16%	0.164	S	C	.	.	H	α-helix	trans	-62.2	-25.8	178.1	60.9	-86	0	0	0	113.9	S289 S313	S289-H315 PolarHBondContact OG-CE1 3.16Å; S289-H315 PolarHBondContact OG-NE2 3.23Å; S313-H315 PolarHBondContact O-N 2.84Å
316	V	92.6	Very high	91.5	Very high	11 Å²	11	31 Å²	31	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-86.2	-29.5	174.5	177.1	0	0	0	0	111.9	A288 W297 S313 E314 Y318	A288-V316 HydrophobicContact CB-CG1 3.7Å; W297-V316 HydrophobicContact CZ2-CG1 3.83Å; W297-V316 PolarHBondContact NE1-O 2.89Å; S313-V316 PolarHBondContact O-N 2.92Å; E314-V316 PolarHBondContact O-N 2.7Å; V316-Y318 VanDerWaalsContact C-N 3.31Å
317	A	93.6	Very high	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-77	-15.7	175.5	0	0	0	0	0	113	W303 I310 S313 E314 G319 A320 F471	W303-A317 HydrophobicContact CH2-CB 4.29Å; W303-A317 HydrophobicContact CZ2-CB 4.06Å; I310-A317 HydrophobicContact CB-CB 4.38Å; I310-A317 HydrophobicContact CG2-CB 3.69Å; S313-A317 PolarHBondContact O-N 3.27Å; E314-A317 PolarHBondContact O-N 2.98Å; E314-A317 VanDerWaalsContact O-N 3.11Å; A317-G319 PolarHBondContact O-N 3.5Å; A317-A320 WeakPolarHBondContact O-CB 3.33Å; A317-A320 PolarHBondContact O-N 2.68Å; A317-F471 HydrophobicContact CB-CD1 3.7Å; A317-F471 HydrophobicContact CB-CE1 3.79Å; A317-F471 WeakPolarHBondContact O-CD1 3.31Å
318	Y	93.2	Very high	91.8	Very high	45 Å²	45	32.9 Å²	32.9	18%	0.176	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	122.1	-174.8	179.1	-114.9	0	0	0	113.3	E314 V316 N473 Y478 H498	E314-Y318 PolarHBondContact O-N 2.95Å; V316-Y318 VanDerWaalsContact C-N 3.31Å; Y318-N473 HydrophobicContact CD2-CB 4.42Å; Y318-N473 HydrophobicContact CE2-CB 4.22Å; Y318-Y478 HydrophobicContact CD2-CE1 4.14Å; Y318-Y478 HydrophobicContact CG-CE1 4.49Å; Y318-H498 HydrophobicContact CE2-CB 4.39Å
319	G	93.4	Very high	92	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	5.4	-174.5	0	0	0	0	0	115	A317 N470 F471 H498	A317-G319 PolarHBondContact O-N 3.5Å; G319-N470 PolarHBondContact O-ND2 2.89Å; G319-F471 PolarHBondContact N-O 2.92Å; G319-H498 WeakPolarHBondContact CA-O 3.39Å
320	A	95.9	Very high	92.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	18%	0.184	C	C	.	.			trans	-58	147.4	169.6	0	0	0	0	0	111.5	W297 W303 A317 N470 F471	W297-A320 HydrophobicContact CB-CB 3.89Å; W297-A320 HydrophobicContact CG-CB 4.45Å; W297-A320 WeakPolarHBondContact O-CA 3.4Å; W303-A320 HydrophobicContact CH2-CB 4.48Å; A317-A320 WeakPolarHBondContact O-CB 3.33Å; A317-A320 PolarHBondContact O-N 2.68Å; A320-N470 VanDerWaalsContact O-CA 3.28Å; A320-N470 WeakPolarHBondContact O-CA 3.5Å; A320-N470 PolarHBondContact O-ND2 3.21Å; A320-F471 HydrophobicContact CB-CB 4.31Å; A320-F471 PolarHBondContact O-N 2.81Å
321	I	97.1	Very high	92.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	168.2	-61.3	177.4	0	0	0	107.3	I204 F208 W210 W297 V298 A299 V468 F469 W499	I204-I321 HydrophobicContact CG2-CD1 4.41Å; I204-I321 HydrophobicContact CG2-CG2 4.49Å; F208-I321 HydrophobicContact CE2-CD1 3.95Å; W210-I321 HydrophobicContact CH2-CD1 4.18Å; W297-I321 PolarHBondContact O-N 3.06Å; V298-I321 CarbonylContact C-O 3.44Å; V298-I321 VanDerWaalsContact CA-O 3.28Å; V298-I321 WeakPolarHBondContact CA-O 3.49Å; A299-I321 PolarHBondContact N-O 2.87Å; I321-V468 HydrophobicContact CG2-CG1 3.6Å; I321-F469 CarbonylContact C-O 3.6Å; I321-F469 WeakPolarHBondContact CA-O 3.41Å; I321-W499 HydrophobicContact CD1-CH2 3.96Å; I321-W499 HydrophobicContact CD1-CZ3 4.17Å
322	T	96.6	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.2	178.2	68.7	0	0	0	0	110.7	A299 W303 G304 F469 Y480	A299-T322 HydrophobicContact CB-CG2 4.09Å; W303-T322 HydrophobicContact CD2-CG2 4.24Å; W303-T322 HydrophobicContact CG-CG2 4.26Å; G304-T322 VanDerWaalsContact O-CB 3.26Å; G304-T322 WeakPolarHBondContact O-CB 3.34Å; G304-T322 PolarHBondContact O-OG1 2.96Å; T322-F469 PolarHBondContact N-O 3.3Å; T322-F469 PolarHBondContact O-N 3.14Å; T322-Y480 HydrophobicContact CG2-CE1 4.12Å
323	L	95.6	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.1	172.4	-72.7	75.1	0	0	0	108.7	Q197 A200 M201 I204 A299 S300 D301	Q197-L323 HydrophobicContact CG-CD2 4.16Å; A200-L323 HydrophobicContact CB-CD2 3.67Å; M201-L323 HydrophobicContact CG-CD1 3.59Å; M201-L323 HydrophobicContact CG-CD2 3.67Å; M201-L323 HydrophobicContact CG-CG 4.27Å; M201-L323 HydrophobicContact SD-CD1 4.42Å; I204-L323 HydrophobicContact CD1-CD1 3.79Å; I204-L323 HydrophobicContact CD1-CD2 4.42Å; I204-L323 HydrophobicContact CD1-CG 4.27Å; A299-L323 PolarHBondContact O-N 2.94Å; S300-L323 CarbonylContact C-O 3.6Å; D301-L323 WeakPolarHBondContact CA-O 3.37Å; D301-L323 WeakPolarHBondContact CB-O 3.45Å; D301-L323 PolarHBondContact N-O 3.34Å
324	E	93.6	Very high	93.2	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.051	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.3	169.1	-167.7	161.4	-128.3	0	0	109.7	A305 S388 Y466 N467 F469	A305-E324 WeakPolarHBondContact CB-OE2 3.47Å; E324-S388 VanDerWaalsContact CD-CB 3.41Å; E324-S388 VanDerWaalsContact OE1-CB 3.3Å; E324-S388 WeakPolarHBondContact OE1-CB 3.49Å; E324-S388 PolarHBondContact OE1-OG 3.49Å; E324-Y466 CarbonylContact O-C 3.59Å; E324-Y466 WeakPolarHBondContact O-CA 3.15Å; E324-Y466 WeakPolarHBondContact O-CB 3.48Å; E324-N467 PolarHBondContact N-O 2.89Å; E324-N467 PolarHBondContact O-N 3.18Å; E324-F469 HydrophobicContact CB-CD2 4.23Å; E324-F469 HydrophobicContact CB-CE2 4Å
325	L	93.2	Very high	93.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	141	176.4	-66.2	176.2	0	0	0	111	V191 P192 S327 K389 F392 Y466	V191-L325 HydrophobicContact CB-CD1 3.86Å; V191-L325 HydrophobicContact CG1-CD1 3.44Å; V191-L325 VanDerWaalsContact CG1-CD1 3.44Å; P192-L325 HydrophobicContact CG-CD2 3.64Å; L325-S327 PolarHBondContact O-N 2.96Å; L325-K389 HydrophobicContact CD1-CD 4.48Å; L325-K389 HydrophobicContact CD1-CG 4.47Å; L325-F392 HydrophobicContact CB-CE2 3.53Å; L325-F392 HydrophobicContact CB-CZ 3.82Å; L325-F392 HydrophobicContact CD1-CD2 4.08Å; L325-F392 HydrophobicContact CD1-CE2 3.75Å; L325-F392 HydrophobicContact CD1-CZ 4.26Å; L325-F392 HydrophobicContact CG-CE2 4.3Å; L325-Y466 HydrophobicContact CD2-CD1 4.02Å; L325-Y466 HydrophobicContact CD2-CE1 3.51Å
326	A	91.4	Very high	93.6	Very high	34 Å²	34	34.9 Å²	34.9	28%	0.281	16%	0.163	S	C	.	.			trans	-71.2	96.5	178.7	0	0	0	0	0	111	R465	A326-R465 HydrophobicContact CB-CB 3.7Å; A326-R465 WeakPolarHBondContact CB-O 3.17Å; A326-R465 PolarHBondContact N-O 3.49Å
327	S	88.8	Confident	93.7	Very high	18 Å²	18	34.4 Å²	34.4	13%	0.126	16%	0.16	C	C	.	.			trans	-122.7	173.3	175.7	65.8	0	0	0	0	112.7	L325 S388	L325-S327 PolarHBondContact O-N 2.96Å; S327-S388 VanDerWaalsContact CB-O 3.23Å; S327-S388 WeakPolarHBondContact CB-O 3.23Å; S327-S388 PolarHBondContact OG-O 3.39Å
328	Q	87.1	Confident	93.8	Very high	113 Å²	113	37.6 Å²	37.6	53%	0.528	17%	0.174	S	C	.	.			trans	-133.6	144.3	176.6	-67.6	-61.8	-32.6	0	0	110.2	V330	Q328-V330 PolarHBondContact O-N 3.43Å
329	P	89.5	Confident	93.9	Very high	64 Å²	64	38.5 Å²	38.5	42%	0.416	19%	0.188	S	C	.	.			trans	-65.5	127.8	179.5	-23.9	34.7	0	0	0	114	R331	P329-R331 PolarHBondContact O-N 3.33Å
330	V	93.3	Very high	94	Very high	9 Å²	9	39 Å²	39	6%	0.055	19%	0.189	C	C	.	.			trans	-84.6	91.2	179	-175.1	0	0	0	0	109.6	Q328 Q332 F333 D334 Q386 M391 F444	Q328-V330 PolarHBondContact O-N 3.43Å; V330-Q332 HydrophobicContact CG1-CB 4.45Å; V330-Q332 PolarHBondContact O-N 2.9Å; V330-F333 HydrophobicContact CB-CB 4.11Å; V330-F333 HydrophobicContact CG1-CB 3.97Å; V330-F333 WeakPolarHBondContact O-CB 3.26Å; V330-F333 PolarHBondContact O-N 3.48Å; V330-D334 PolarHBondContact O-N 3.22Å; V330-D334 VanDerWaalsContact O-N 3.12Å; V330-Q386 PolarHBondContact O-NE2 2.89Å; V330-M391 HydrophobicContact CG2-CB 4.3Å; V330-F444 HydrophobicContact CG1-CB 4.01Å; V330-F444 HydrophobicContact CG1-CD2 4.02Å; V330-F444 HydrophobicContact CG1-CG 4.24Å
331	R	93.3	Very high	93.8	Very high	152 Å²	152	41.2 Å²	41.2	57%	0.574	20%	0.202	S	C	*	.	H	α-helix	trans	-63.3	-13	-174.9	-59.8	-49.7	-166.6	-177.4	0.5	115.4	P329 D334 R335	P329-R331 PolarHBondContact O-N 3.33Å; R331-D334 WeakPolarHBondContact CD-OD2 3.18Å; R331-D334 IonicContact CZ-OD2 2.62Å; R331-D334 IonicContact NE-OD2 2.79Å; R331-D334 IonicContact NH1-OD2 3.7Å; R331-D334 PolarHBondContact NH1-OD2 3.27Å; R331-R335 PolarHBondContact O-NE 3.08Å; R331-R335 PolarHBondContact O-NH2 3.34Å
332	Q	94.9	Very high	93.6	Very high	58 Å²	58	41.2 Å²	41.2	27%	0.271	20%	0.202	S	C	.	.	H	α-helix	trans	-80.3	-41.7	173.1	-71.6	75.1	-15.3	0	0	109.6	F74 V330 Y336 F444	F74-Q332 HydrophobicContact CE2-CB 4.31Å; F74-Q332 HydrophobicContact CZ-CB 3.65Å; V330-Q332 HydrophobicContact CG1-CB 4.45Å; V330-Q332 PolarHBondContact O-N 2.9Å; Q332-Y336 WeakPolarHBondContact O-CB 3.4Å; Q332-Y336 PolarHBondContact O-N 3.46Å; Q332-F444 HydrophobicContact CB-CD1 4.14Å; Q332-F444 HydrophobicContact CB-CE1 4.48Å; Q332-F444 HydrophobicContact CB-CG 4.38Å; Q332-F444 HydrophobicContact CG-CB 4.46Å; Q332-F444 HydrophobicContact CG-CD1 3.59Å; Q332-F444 HydrophobicContact CG-CE1 4.11Å; Q332-F444 HydrophobicContact CG-CG 4.16Å
333	F	95.9	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-39.7	174.4	-175.9	-100.3	0	0	0	111.9	Q67 E70 A71 F74 V330 R335 Y336 F337 Y384 Q386 I390	Q67-F333 HydrophobicContact CB-CE1 4.36Å; Q67-F333 HydrophobicContact CB-CZ 4.42Å; Q67-F333 VanDerWaalsContact O-CZ 3.23Å; Q67-F333 WeakPolarHBondContact O-CZ 3.3Å; E70-F333 HydrophobicContact CB-CE2 4.13Å; E70-F333 HydrophobicContact CB-CZ 4.21Å; A71-F333 VanDerWaalsContact CA-CE2 3.46Å; A71-F333 HydrophobicContact CB-CD2 4.14Å; A71-F333 HydrophobicContact CB-CE2 3.81Å; A71-F333 HydrophobicContact CB-CZ 4.15Å; F74-F333 HydrophobicContact CB-CD2 4.02Å; F74-F333 HydrophobicContact CB-CE2 4.35Å; F74-F333 HydrophobicContact CD1-CB 4.37Å; F74-F333 HydrophobicContact CD1-CD2 4.01Å; F74-F333 HydrophobicContact CE1-CB 4.38Å; F74-F333 AromaticContact CG-CD2 4Å; F74-F333 HydrophobicContact CG-CD2 4Å; V330-F333 HydrophobicContact CB-CB 4.11Å; V330-F333 HydrophobicContact CG1-CB 3.97Å; V330-F333 WeakPolarHBondContact O-CB 3.26Å; V330-F333 PolarHBondContact O-N 3.48Å; F333-R335 VanDerWaalsContact C-N 3.33Å; F333-R335 PolarHBondContact O-N 3.42Å; F333-Y336 AromaticContact CD2-CD1 3.87Å; F333-Y336 HydrophobicContact CD2-CD1 3.87Å; F333-Y336 AromaticContact CE2-CD1 3.83Å; F333-Y336 HydrophobicContact CE2-CD1 3.83Å; F333-Y336 HydrophobicContact CE2-CE1 4.19Å; F333-Y336 PolarHBondContact O-N 2.87Å; F333-Y336 VanDerWaalsContact O-N 3.16Å; F333-F337 HydrophobicContact CD1-CB 4.41Å; F333-F337 HydrophobicContact CE1-CB 3.95Å; F333-F337 HydrophobicContact CE1-CD2 4.16Å; F333-F337 HydrophobicContact CE1-CG 4.14Å; F333-F337 HydrophobicContact CE2-CB 4.43Å; F333-F337 HydrophobicContact CE2-CD2 4.37Å; F333-F337 HydrophobicContact CZ-CB 3.96Å; F333-F337 AromaticContact CZ-CD2 3.62Å; F333-F337 HydrophobicContact CZ-CD2 3.62Å; F333-F337 HydrophobicContact CZ-CE2 4.43Å; F333-F337 HydrophobicContact CZ-CG 4.02Å; F333-F337 WeakPolarHBondContact O-CB 3.32Å; F333-F337 PolarHBondContact O-N 3.18Å; F333-Y384 WeakPolarHBondContact CE1-OH 3.48Å; F333-Q386 HydrophobicContact CD1-CG 4.38Å; F333-I390 HydrophobicContact CB-CG2 4.45Å; F333-I390 HydrophobicContact CD1-CG2 3.85Å; F333-I390 HydrophobicContact CE1-CD1 4.02Å; F333-I390 HydrophobicContact CE1-CG1 4.47Å; F333-I390 HydrophobicContact CE1-CG2 4.3Å; F333-I390 HydrophobicContact CG-CG2 4.07Å; F333-I390 HydrophobicContact CZ-CD1 4.31Å
334	D	95	Very high	93.1	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-49.6	-54.3	174.2	-68.1	-14.8	0	0	0	111.2	V330 R331 Q338 Q386	V330-D334 PolarHBondContact O-N 3.22Å; V330-D334 VanDerWaalsContact O-N 3.12Å; R331-D334 WeakPolarHBondContact CD-OD2 3.18Å; R331-D334 IonicContact CZ-OD2 2.62Å; R331-D334 IonicContact NE-OD2 2.79Å; R331-D334 IonicContact NH1-OD2 3.7Å; R331-D334 PolarHBondContact NH1-OD2 3.27Å; D334-Q338 VanDerWaalsContact O-CB 3.32Å; D334-Q338 WeakPolarHBondContact O-CB 3.31Å; D334-Q338 WeakPolarHBondContact O-CG 3.02Å; D334-Q338 PolarHBondContact O-N 2.98Å; D334-Q386 PolarHBondContact OD1-NE2 3.35Å
335	R	95.1	Very high	93.1	Very high	158 Å²	158	51 Å²	51	60%	0.596	25%	0.246	S	C	*	.	H	α-helix	trans	-66.9	-37.8	-179.7	-72.7	176.8	-74.2	153.9	-6.7	112.6	R331 F333 S339	R331-R335 PolarHBondContact O-NE 3.08Å; R331-R335 PolarHBondContact O-NH2 3.34Å; F333-R335 VanDerWaalsContact C-N 3.33Å; F333-R335 PolarHBondContact O-N 3.42Å; R335-S339 PolarHBondContact O-N 3.45Å
336	Y	96.1	Very high	93	Very high	40 Å²	40	57.8 Å²	57.8	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-54.4	175.6	167.9	-104.7	0	0	0	111.1	E70 F74 Q332 F333 Q338 S339 L340 R347	E70-Y336 HydrophobicContact CB-CE1 4.27Å; E70-Y336 PolarHBondContact OE2-OH 2.99Å; F74-Y336 HydrophobicContact CB-CD1 3.77Å; F74-Y336 HydrophobicContact CB-CE1 3.85Å; F74-Y336 HydrophobicContact CB-CG 4.36Å; F74-Y336 AromaticContact CD2-CD1 3.94Å; F74-Y336 HydrophobicContact CD2-CD1 3.94Å; F74-Y336 HydrophobicContact CD2-CD2 4.23Å; F74-Y336 AromaticContact CD2-CG 3.71Å; F74-Y336 HydrophobicContact CD2-CG 3.71Å; F74-Y336 HydrophobicContact CG-CD1 4.1Å; F74-Y336 HydrophobicContact CG-CG 4.34Å; Q332-Y336 WeakPolarHBondContact O-CB 3.4Å; Q332-Y336 PolarHBondContact O-N 3.46Å; F333-Y336 AromaticContact CD2-CD1 3.87Å; F333-Y336 HydrophobicContact CD2-CD1 3.87Å; F333-Y336 AromaticContact CE2-CD1 3.83Å; F333-Y336 HydrophobicContact CE2-CD1 3.83Å; F333-Y336 HydrophobicContact CE2-CE1 4.19Å; F333-Y336 PolarHBondContact O-N 2.87Å; F333-Y336 VanDerWaalsContact O-N 3.16Å; Y336-Q338 PolarHBondContact O-N 3.27Å; Y336-S339 WeakPolarHBondContact O-CB 3.35Å; Y336-S339 PolarHBondContact O-N 2.96Å; Y336-S339 PolarHBondContact O-OG 3.48Å; Y336-L340 HydrophobicContact CE1-CD1 3.93Å; Y336-L340 HydrophobicContact CE2-CD2 3.93Å; Y336-R347 PolarHBondContact OH-NH2 3.31Å
337	F	96.1	Very high	93.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-39	-175.8	-165.9	-99.3	0	0	0	112.2	I66 Q67 E70 F333 S339 L340 F354 I379 Y384	I66-F337 HydrophobicContact CG2-CE2 4.08Å; I66-F337 HydrophobicContact CG2-CZ 4.12Å; Q67-F337 HydrophobicContact CG-CE1 4.31Å; Q67-F337 HydrophobicContact CG-CE2 4.31Å; Q67-F337 HydrophobicContact CG-CZ 3.97Å; E70-F337 HydrophobicContact CB-CD2 4.07Å; E70-F337 HydrophobicContact CB-CE2 4.16Å; E70-F337 HydrophobicContact CG-CD2 4.32Å; E70-F337 HydrophobicContact CG-CE2 4.06Å; F333-F337 HydrophobicContact CD1-CB 4.41Å; F333-F337 HydrophobicContact CE1-CB 3.95Å; F333-F337 HydrophobicContact CE1-CD2 4.16Å; F333-F337 HydrophobicContact CE1-CG 4.14Å; F333-F337 HydrophobicContact CE2-CB 4.43Å; F333-F337 HydrophobicContact CE2-CD2 4.37Å; F333-F337 HydrophobicContact CZ-CB 3.96Å; F333-F337 AromaticContact CZ-CD2 3.62Å; F333-F337 HydrophobicContact CZ-CD2 3.62Å; F333-F337 HydrophobicContact CZ-CE2 4.43Å; F333-F337 HydrophobicContact CZ-CG 4.02Å; F333-F337 WeakPolarHBondContact O-CB 3.32Å; F333-F337 PolarHBondContact O-N 3.18Å; F337-S339 PolarHBondContact O-N 2.75Å; F337-L340 HydrophobicContact CD2-CD1 4.01Å; F337-L340 HydrophobicContact CE2-CD1 4.49Å; F337-L340 WeakPolarHBondContact O-CB 3.49Å; F337-L340 PolarHBondContact O-N 2.93Å; F337-L340 VanDerWaalsContact O-N 3.13Å; F337-F354 HydrophobicContact CZ-CE1 4.13Å; F337-F354 HydrophobicContact CZ-CZ 4.16Å; F337-I379 HydrophobicContact CD1-CD1 4.37Å; F337-I379 HydrophobicContact CD1-CG2 4.05Å; F337-I379 HydrophobicContact CE1-CD1 3.97Å; F337-I379 HydrophobicContact CE1-CG2 4.18Å; F337-Y384 AromaticContact CD1-CD2 3.55Å; F337-Y384 HydrophobicContact CD1-CD2 3.55Å; F337-Y384 AromaticContact CD1-CE2 3.27Å; F337-Y384 HydrophobicContact CD1-CE2 3.27Å; F337-Y384 HydrophobicContact CD1-CG 4.41Å; F337-Y384 AromaticContact CD1-CZ 3.96Å; F337-Y384 AromaticContact CE1-CD2 3.64Å; F337-Y384 HydrophobicContact CE1-CD2 3.64Å; F337-Y384 AromaticContact CE1-CE2 3.61Å; F337-Y384 HydrophobicContact CE1-CE2 3.61Å; F337-Y384 HydrophobicContact CG-CE2 4.09Å
338	Q	95.3	Very high	93.4	Very high	67 Å²	67	58.9 Å²	58.9	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-23.6	173.9	-70.7	170.4	3.4	0	0	113.4	D334 Y336 L340 I379 Y384	D334-Q338 VanDerWaalsContact O-CB 3.32Å; D334-Q338 WeakPolarHBondContact O-CB 3.31Å; D334-Q338 WeakPolarHBondContact O-CG 3.02Å; D334-Q338 PolarHBondContact O-N 2.98Å; Y336-Q338 PolarHBondContact O-N 3.27Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; Q338-I379 WeakPolarHBondContact CB-O 3.44Å; Q338-I379 HydrophobicContact CG-CG2 4.31Å; Q338-I379 WeakPolarHBondContact CG-O 3.39Å; Q338-Y384 HydrophobicContact CG-CD1 4.38Å
339	S	94.9	Very high	93.7	Very high	65 Å²	65	55.9 Å²	55.9	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.5	175.2	80.1	0	0	0	0	114.3	R335 Y336 F337 N344	R335-S339 PolarHBondContact O-N 3.45Å; Y336-S339 WeakPolarHBondContact O-CB 3.35Å; Y336-S339 PolarHBondContact O-N 2.96Å; Y336-S339 PolarHBondContact O-OG 3.48Å; F337-S339 PolarHBondContact O-N 2.75Å; S339-N344 PolarHBondContact O-ND2 2.98Å
340	L	94.9	Very high	94	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.058	24%	0.243	C	C	.	.			trans	-80.1	137.9	-177.7	-58.3	-179.4	0	0	0	112	E70 Y336 F337 Q338 N345 F351 W355	E70-L340 HydrophobicContact CG-CD1 4.08Å; Y336-L340 HydrophobicContact CE1-CD1 3.93Å; Y336-L340 HydrophobicContact CE2-CD2 3.93Å; F337-L340 HydrophobicContact CD2-CD1 4.01Å; F337-L340 HydrophobicContact CE2-CD1 4.49Å; F337-L340 WeakPolarHBondContact O-CB 3.49Å; F337-L340 PolarHBondContact O-N 2.93Å; F337-L340 VanDerWaalsContact O-N 3.13Å; Q338-L340 VanDerWaalsContact C-N 3.33Å; L340-N345 HydrophobicContact CD2-CB 4.46Å; L340-F351 HydrophobicContact CB-CE1 4.18Å; L340-F351 HydrophobicContact CB-CE2 3.85Å; L340-F351 HydrophobicContact CB-CZ 3.43Å; L340-F351 VanDerWaalsContact CB-CZ 3.43Å; L340-F351 HydrophobicContact CD1-CE2 3.91Å; L340-F351 HydrophobicContact CD1-CZ 4.37Å; L340-W355 WeakPolarHBondContact O-CZ3 3.38Å
341	N	92.6	Very high	94	Very high	49 Å²	49	52.8 Å²	52.8	26%	0.262	24%	0.24	S	C	.	.			trans	-147.7	165.2	174.9	65.8	72	0	0	0	110.7	Y343 N344 N345 W355	N341-Y343 PolarHBondContact O-N 3.49Å; N341-Y343 WeakPolarHBondContact OD1-CA 3.33Å; N341-Y343 WeakPolarHBondContact OD1-CB 3.24Å; N341-Y343 PolarHBondContact OD1-N 3.45Å; N341-N344 PolarHBondContact N-OD1 3.43Å; N341-N344 PolarHBondContact ND2-ND2 3.14Å; N341-N344 PolarHBondContact ND2-OD1 3.02Å; N341-N344 PolarHBondContact O-N 2.83Å; N341-N344 PolarHBondContact O-OD1 3.16Å; N341-N344 PolarHBondContact OD1-N 3.18Å; N341-N344 VanDerWaalsContact OD1-N 3.09Å; N341-N345 PolarHBondContact O-N 3.2Å; N341-W355 HydrophobicContact CB-CH2 4.09Å; N341-W355 HydrophobicContact CB-CZ3 4.29Å
342	P	92.1	Very high	94	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	0.1	-174.6	-21.8	35.7	0	0	0	115.6	R352 W355 L363	P342-R352 HydrophobicContact CB-CG 4.42Å; P342-R352 PolarHBondContact O-NH1 2.67Å; P342-W355 HydrophobicContact CG-CB 3.74Å; P342-W355 HydrophobicContact CG-CD2 3.37Å; P342-W355 HydrophobicContact CG-CE3 3.84Å; P342-W355 HydrophobicContact CG-CG 3.33Å; P342-W355 HydrophobicContact CG-CZ2 4.49Å; P342-L363 HydrophobicContact CB-CD1 3.63Å; P342-L363 HydrophobicContact CB-CD2 4.19Å; P342-L363 HydrophobicContact CG-CD1 3.76Å; P342-L363 HydrophobicContact CG-CD2 4.06Å
343	Y	89.4	Confident	93.8	Very high	127 Å²	127	49.1 Å²	49.1	50%	0.498	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-12.4	180	-47.4	-77.3	0	0	0	113.5	N341 H346	N341-Y343 PolarHBondContact O-N 3.49Å; N341-Y343 WeakPolarHBondContact OD1-CA 3.33Å; N341-Y343 WeakPolarHBondContact OD1-CB 3.24Å; N341-Y343 PolarHBondContact OD1-N 3.45Å; Y343-H346 PolarHBondContact O-NE2 2.98Å
344	N	92.9	Very high	93.7	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.444	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-33.4	169.6	70	0.2	0	0	0	112.7	S339 N341 H346	S339-N344 PolarHBondContact O-ND2 2.98Å; N341-N344 PolarHBondContact N-OD1 3.43Å; N341-N344 PolarHBondContact ND2-ND2 3.14Å; N341-N344 PolarHBondContact ND2-OD1 3.02Å; N341-N344 PolarHBondContact O-N 2.83Å; N341-N344 PolarHBondContact O-OD1 3.16Å; N341-N344 PolarHBondContact OD1-N 3.18Å; N341-N344 VanDerWaalsContact OD1-N 3.09Å; N344-H346 PolarHBondContact O-N 3.27Å; N344-H346 VanDerWaalsContact O-N 3.12Å
345	N	93.9	Very high	93.6	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.032	23%	0.226	C	C	.	.			trans	-85.7	87.2	177	-166.4	-6.1	0	0	0	110.9	E70 L340 N341 R347 N348 F351	E70-N345 PolarHBondContact OE1-ND2 2.85Å; L340-N345 HydrophobicContact CD2-CB 4.46Å; N341-N345 PolarHBondContact O-N 3.2Å; N345-R347 WeakPolarHBondContact OD1-CG 3.28Å; N345-R347 PolarHBondContact OD1-N 3.01Å; N345-N348 PolarHBondContact OD1-N 2.79Å; N345-F351 HydrophobicContact CB-CD1 3.98Å; N345-F351 HydrophobicContact CB-CE1 4.39Å; N345-F351 HydrophobicContact CB-CG 4.09Å; N345-F351 WeakPolarHBondContact ND2-CD2 3.43Å; N345-F351 WeakPolarHBondContact ND2-CG 3.2Å
346	H	90.6	Very high	93.5	Very high	144 Å²	144	42.1 Å²	42.1	67%	0.667	20%	0.202	S	C	*	.			trans	-96.6	-11.9	171.8	-64.6	-22.7	0	0	0	113.4	Y343 N344	Y343-H346 PolarHBondContact O-NE2 2.98Å; N344-H346 PolarHBondContact O-N 3.27Å; N344-H346 VanDerWaalsContact O-N 3.12Å
347	R	93.6	Very high	93.3	Very high	73 Å²	73	43 Å²	43	28%	0.275	21%	0.207	S	C	.	.	S	Bend	trans	-77.7	-25.5	-179.6	67.8	175.6	-178.7	-168.3	0.6	113.7	I33 L73 D77 Y336 N345	I33-R347 WeakPolarHBondContact CG1-O 3.05Å; L73-R347 HydrophobicContact CD1-CG 4.38Å; D77-R347 IonicContact OD1-CZ 3.79Å; D77-R347 IonicContact OD1-NH1 2.82Å; D77-R347 PolarHBondContact OD1-NH1 3.11Å; D77-R347 IonicContact OD2-CZ 3.88Å; D77-R347 IonicContact OD2-NH1 3.8Å; D77-R347 PolarHBondContact OD2-NH1 3.19Å; D77-R347 IonicContact OD2-NH2 2.82Å; D77-R347 PolarHBondContact OD2-NH2 2.96Å; Y336-R347 PolarHBondContact OH-NH2 3.31Å; N345-R347 WeakPolarHBondContact OD1-CG 3.28Å; N345-R347 PolarHBondContact OD1-N 3.01Å
348	N	94.9	Very high	93	Very high	2 Å²	2	45 Å²	45	1%	0.011	22%	0.216	C	C	.	.			trans	-100.6	108.9	177.3	176.4	-8.6	0	0	0	110.7	I33 L69 E70 N345 W350 F351	I33-N348 HydrophobicContact CD1-CB 4.13Å; L69-N348 HydrophobicContact CD2-CB 4.44Å; L69-N348 WeakPolarHBondContact CD2-ND2 3.32Å; E70-N348 VanDerWaalsContact OE1-CB 3.22Å; E70-N348 WeakPolarHBondContact OE1-CB 3.47Å; E70-N348 PolarHBondContact OE1-ND2 3.15Å; N345-N348 PolarHBondContact OD1-N 2.79Å; N348-W350 PolarHBondContact O-N 2.95Å; N348-W350 WeakPolarHBondContact OD1-CA 3.22Å; N348-W350 WeakPolarHBondContact OD1-CB 3.48Å; N348-W350 PolarHBondContact OD1-N 2.61Å; N348-F351 HydrophobicContact CB-CB 3.99Å; N348-F351 PolarHBondContact O-N 2.82Å; N348-F351 PolarHBondContact OD1-N 2.88Å
349	P	94	Very high	92.8	Very high	49 Å²	49	44 Å²	44	32%	0.318	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15	-177.5	29.4	-35.1	0	0	0	113.6	R31 I33	R31-P349 HydrophobicContact CB-CG 4.48Å; I33-P349 HydrophobicContact CG1-CG 4.38Å
350	W	94.9	Very high	92.6	Very high	8 Å²	8	46.6 Å²	46.6	3%	0.03	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.1	176.4	-57.9	-89.2	0	0	0	113.3	R31 I33 I47 I60 I66 L69 D97 N348 R352 D353 F354	R31-W350 HydrophobicContact CB-CH2 4.31Å; R31-W350 HydrophobicContact CB-CZ2 3.54Å; R31-W350 WeakPolarHBondContact O-CH2 3.44Å; R31-W350 WeakPolarHBondContact O-CZ2 3.35Å; I33-W350 HydrophobicContact CD1-CZ3 4.11Å; I33-W350 HydrophobicContact CG1-CZ3 3.92Å; I47-W350 HydrophobicContact CD1-CD2 3.88Å; I47-W350 HydrophobicContact CD1-CE3 3.62Å; I47-W350 HydrophobicContact CD1-CH2 3.47Å; I47-W350 VanDerWaalsContact CD1-CH2 3.47Å; I47-W350 HydrophobicContact CD1-CZ2 3.72Å; I47-W350 HydrophobicContact CD1-CZ3 3.4Å; I47-W350 HydrophobicContact CG2-CB 3.97Å; I47-W350 HydrophobicContact CG2-CD2 3.91Å; I47-W350 HydrophobicContact CG2-CE3 4.34Å; I47-W350 HydrophobicContact CG2-CG 3.74Å; I60-W350 HydrophobicContact CD1-CB 4.46Å; I66-W350 HydrophobicContact CD1-CB 3.93Å; L69-W350 HydrophobicContact CD1-CE3 4.08Å; L69-W350 HydrophobicContact CD1-CZ3 4.01Å; D97-W350 HydrophobicContact CB-CZ2 4.24Å; N348-W350 PolarHBondContact O-N 2.95Å; N348-W350 WeakPolarHBondContact OD1-CA 3.22Å; N348-W350 WeakPolarHBondContact OD1-CB 3.48Å; N348-W350 PolarHBondContact OD1-N 2.61Å; W350-R352 PolarHBondContact O-N 2.92Å; W350-R352 VanDerWaalsContact O-N 3.16Å; W350-D353 PolarHBondContact O-N 2.96Å; W350-D353 VanDerWaalsContact O-N 3.14Å; W350-F354 WeakPolarHBondContact O-CB 3.49Å; W350-F354 PolarHBondContact O-N 2.69Å
351	F	94.4	Very high	92.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-29.7	-174.2	-163.3	-90.1	0	0	0	113.6	I66 L340 N345 N348 F354 W355 I379	I66-F351 HydrophobicContact CG2-CD2 4.37Å; L340-F351 HydrophobicContact CB-CE1 4.18Å; L340-F351 HydrophobicContact CB-CE2 3.85Å; L340-F351 HydrophobicContact CB-CZ 3.43Å; L340-F351 VanDerWaalsContact CB-CZ 3.43Å; L340-F351 HydrophobicContact CD1-CE2 3.91Å; L340-F351 HydrophobicContact CD1-CZ 4.37Å; N345-F351 HydrophobicContact CB-CD1 3.98Å; N345-F351 HydrophobicContact CB-CE1 4.39Å; N345-F351 HydrophobicContact CB-CG 4.09Å; N345-F351 WeakPolarHBondContact ND2-CD2 3.43Å; N345-F351 WeakPolarHBondContact ND2-CG 3.2Å; N348-F351 HydrophobicContact CB-CB 3.99Å; N348-F351 PolarHBondContact O-N 2.82Å; N348-F351 PolarHBondContact OD1-N 2.88Å; F351-F354 AromaticContact CD2-CD1 3.91Å; F351-F354 HydrophobicContact CD2-CD1 3.91Å; F351-F354 HydrophobicContact CD2-CE1 4.36Å; F351-F354 AromaticContact CE2-CD1 3.86Å; F351-F354 HydrophobicContact CE2-CD1 3.86Å; F351-F354 AromaticContact CE2-CE1 3.84Å; F351-F354 HydrophobicContact CE2-CE1 3.84Å; F351-F354 HydrophobicContact CG-CD1 4.31Å; F351-F354 HydrophobicContact CZ-CD1 4.2Å; F351-F354 HydrophobicContact CZ-CE1 4.06Å; F351-F354 WeakPolarHBondContact O-CB 3.21Å; F351-W355 AromaticContact CE1-CE3 3.81Å; F351-W355 HydrophobicContact CE1-CE3 3.81Å; F351-W355 HydrophobicContact CE1-CZ3 4.18Å; F351-W355 HydrophobicContact CZ-CE3 4.24Å; F351-W355 HydrophobicContact CZ-CZ3 4.4Å; F351-W355 WeakPolarHBondContact O-CB 3.36Å; F351-W355 PolarHBondContact O-N 2.8Å; F351-W355 VanDerWaalsContact O-N 3.09Å; F351-I379 HydrophobicContact CZ-CD1 4.12Å
352	R	92.2	Very high	92.2	Very high	76 Å²	76	44.3 Å²	44.3	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-70.5	-45.1	176.3	-61.2	-174	62.7	85.7	0.8	112.3	P342 W350 F354 W355 E356 L363	P342-R352 HydrophobicContact CB-CG 4.42Å; P342-R352 PolarHBondContact O-NH1 2.67Å; W350-R352 PolarHBondContact O-N 2.92Å; W350-R352 VanDerWaalsContact O-N 3.16Å; R352-F354 VanDerWaalsContact C-N 3.35Å; R352-W355 PolarHBondContact O-N 3.21Å; R352-E356 PolarHBondContact O-N 3.16Å; R352-L363 HydrophobicContact CB-CD1 4.08Å
353	D	91.6	Very high	91.8	Very high	57 Å²	57	45.6 Å²	45.6	31%	0.305	21%	0.211	S	C	.	.	H	α-helix	trans	-70.5	-36.1	179.6	-65.2	-9.1	0	0	0	110.4	R31 I60 W350 W355 E356 Q357	R31-D353 IonicContact CZ-OD2 3.97Å; R31-D353 VanDerWaalsContact CZ-OD2 3.23Å; R31-D353 IonicContact NH1-OD2 2.88Å; R31-D353 PolarHBondContact NH1-OD2 2.74Å; R31-D353 IonicContact NH2-OD2 3.79Å; R31-D353 PolarHBondContact NH2-OD2 3.28Å; I60-D353 HydrophobicContact CD1-CB 3.49Å; I60-D353 VanDerWaalsContact CD1-CB 3.49Å; W350-D353 PolarHBondContact O-N 2.96Å; W350-D353 VanDerWaalsContact O-N 3.14Å; D353-W355 PolarHBondContact O-N 3.08Å; D353-E356 PolarHBondContact O-N 3.18Å; D353-Q357 WeakPolarHBondContact O-CB 3.48Å; D353-Q357 PolarHBondContact O-N 3.06Å
354	F	93.8	Very high	91.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-53.5	-50.1	167.6	161.5	-122.1	0	0	0	111.5	I60 E62 I66 F337 W350 F351 R352 Q357 K358 I379	I60-F354 HydrophobicContact CD1-CB 4.38Å; I60-F354 HydrophobicContact CG2-CB 4.16Å; I60-F354 HydrophobicContact CG2-CD2 4.46Å; E62-F354 HydrophobicContact CB-CD2 4.48Å; E62-F354 HydrophobicContact CB-CE2 3.96Å; E62-F354 VanDerWaalsContact CD-CE2 3.46Å; E62-F354 HydrophobicContact CG-CE2 3.57Å; E62-F354 HydrophobicContact CG-CZ 4.12Å; I66-F354 HydrophobicContact CD1-CB 4.15Å; I66-F354 HydrophobicContact CG1-CB 4.11Å; I66-F354 HydrophobicContact CG1-CD2 4.23Å; I66-F354 HydrophobicContact CG1-CG 4.08Å; I66-F354 HydrophobicContact CG2-CD1 3.91Å; I66-F354 HydrophobicContact CG2-CE1 4.11Å; I66-F354 HydrophobicContact CG2-CG 4.13Å; F337-F354 HydrophobicContact CZ-CE1 4.13Å; F337-F354 HydrophobicContact CZ-CZ 4.16Å; W350-F354 WeakPolarHBondContact O-CB 3.49Å; W350-F354 PolarHBondContact O-N 2.69Å; F351-F354 AromaticContact CD2-CD1 3.91Å; F351-F354 HydrophobicContact CD2-CD1 3.91Å; F351-F354 HydrophobicContact CD2-CE1 4.36Å; F351-F354 AromaticContact CE2-CD1 3.86Å; F351-F354 HydrophobicContact CE2-CD1 3.86Å; F351-F354 AromaticContact CE2-CE1 3.84Å; F351-F354 HydrophobicContact CE2-CE1 3.84Å; F351-F354 HydrophobicContact CG-CD1 4.31Å; F351-F354 HydrophobicContact CZ-CD1 4.2Å; F351-F354 HydrophobicContact CZ-CE1 4.06Å; F351-F354 WeakPolarHBondContact O-CB 3.21Å; R352-F354 VanDerWaalsContact C-N 3.35Å; F354-Q357 WeakPolarHBondContact O-CB 3.33Å; F354-Q357 PolarHBondContact O-N 3.47Å; F354-Q357 VanDerWaalsContact O-N 3.17Å; F354-K358 HydrophobicContact CE2-CB 4.11Å; F354-K358 HydrophobicContact CE2-CD 3.96Å; F354-K358 HydrophobicContact CZ-CD 3.83Å; F354-K358 WeakPolarHBondContact O-CB 3.27Å; F354-K358 PolarHBondContact O-N 3.47Å; F354-I379 HydrophobicContact CE1-CD1 4.01Å; F354-I379 HydrophobicContact CZ-CD1 4.34Å
355	W	93.1	Very high	89.7	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-42.3	-179.7	-165.4	-81.4	0	0	0	113	L340 N341 P342 F351 R352 D353 Q357 K358 F359 L363 L377 I379	L340-W355 WeakPolarHBondContact O-CZ3 3.38Å; N341-W355 HydrophobicContact CB-CH2 4.09Å; N341-W355 HydrophobicContact CB-CZ3 4.29Å; P342-W355 HydrophobicContact CG-CB 3.74Å; P342-W355 HydrophobicContact CG-CD2 3.37Å; P342-W355 HydrophobicContact CG-CE3 3.84Å; P342-W355 HydrophobicContact CG-CG 3.33Å; P342-W355 HydrophobicContact CG-CZ2 4.49Å; F351-W355 AromaticContact CE1-CE3 3.81Å; F351-W355 HydrophobicContact CE1-CE3 3.81Å; F351-W355 HydrophobicContact CE1-CZ3 4.18Å; F351-W355 HydrophobicContact CZ-CE3 4.24Å; F351-W355 HydrophobicContact CZ-CZ3 4.4Å; F351-W355 WeakPolarHBondContact O-CB 3.36Å; F351-W355 PolarHBondContact O-N 2.8Å; F351-W355 VanDerWaalsContact O-N 3.09Å; R352-W355 PolarHBondContact O-N 3.21Å; D353-W355 PolarHBondContact O-N 3.08Å; W355-Q357 VanDerWaalsContact C-N 3.26Å; W355-Q357 PolarHBondContact O-N 3.28Å; W355-K358 PolarHBondContact O-N 3.26Å; W355-F359 AromaticContact CD1-CD2 3.77Å; W355-F359 AromaticContact CD2-CD2 3.78Å; W355-F359 HydrophobicContact CD2-CD2 3.78Å; W355-F359 AromaticContact CD2-CE2 3.65Å; W355-F359 HydrophobicContact CD2-CE2 3.65Å; W355-F359 AromaticContact CE2-CD2 3.63Å; W355-F359 AromaticContact CE2-CE2 3.54Å; W355-F359 HydrophobicContact CE3-CD2 4.45Å; W355-F359 AromaticContact CE3-CE2 3.9Å; W355-F359 HydrophobicContact CE3-CE2 3.9Å; W355-F359 AromaticContact CG-CD2 3.91Å; W355-F359 HydrophobicContact CG-CD2 3.91Å; W355-F359 HydrophobicContact CG-CE2 4.26Å; W355-F359 HydrophobicContact CH2-CE2 4Å; W355-F359 HydrophobicContact CZ2-CD2 4.22Å; W355-F359 AromaticContact CZ2-CE2 3.74Å; W355-F359 HydrophobicContact CZ2-CE2 3.74Å; W355-F359 HydrophobicContact CZ2-CZ 4.46Å; W355-F359 HydrophobicContact CZ3-CE2 4.07Å; W355-F359 AromaticContact NE1-CD2 3.58Å; W355-F359 AromaticContact NE1-CE2 4Å; W355-F359 PolarHBondContact O-N 3.02Å; W355-F359 VanDerWaalsContact O-N 3.09Å; W355-L363 HydrophobicContact CB-CD1 4.28Å; W355-L377 HydrophobicContact CZ2-CB 3.78Å; W355-L377 WeakPolarHBondContact CZ2-O 3.43Å; W355-I379 HydrophobicContact CE3-CD1 4.29Å; W355-I379 HydrophobicContact CE3-CG1 4.48Å; W355-I379 HydrophobicContact CH2-CG1 4.32Å; W355-I379 HydrophobicContact CZ3-CD1 3.8Å; W355-I379 HydrophobicContact CZ3-CG1 3.74Å
356	E	91.8	Very high	88	Confident	19 Å²	19	56 Å²	56	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-34.7	172.8	-69.5	-158.6	164	0	0	112.2	R352 D353 Q360 C361 S362 L363	R352-E356 PolarHBondContact O-N 3.16Å; D353-E356 PolarHBondContact O-N 3.18Å; E356-Q360 VanDerWaalsContact O-CA 3.3Å; E356-Q360 WeakPolarHBondContact O-CA 3.4Å; E356-Q360 PolarHBondContact O-N 3.39Å; E356-Q360 VanDerWaalsContact O-N 3.16Å; E356-C361 WeakPolarHBondContact CB-O 3.46Å; E356-C361 PolarHBondContact O-N 3.43Å; E356-S362 VanDerWaalsContact OE1-CA 3.26Å; E356-S362 WeakPolarHBondContact OE1-CA 3.36Å; E356-S362 PolarHBondContact OE1-OG 2.88Å; E356-L363 HydrophobicContact CG-CB 4.38Å; E356-L363 HydrophobicContact CG-CD1 4.17Å; E356-L363 HydrophobicContact CG-CG 4.05Å; E356-L363 PolarHBondContact OE1-N 3Å
357	Q	91.3	Very high	86.4	Confident	60 Å²	60	57.7 Å²	57.7	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-74	-46.5	176.6	-169.7	-177.7	-84.4	0	0	112.3	I60 D353 F354 W355 Q360	I60-Q357 VanDerWaalsContact N-OE1 3.12Å; I60-Q357 PolarHBondContact O-NE2 3.19Å; D353-Q357 WeakPolarHBondContact O-CB 3.48Å; D353-Q357 PolarHBondContact O-N 3.06Å; F354-Q357 WeakPolarHBondContact O-CB 3.33Å; F354-Q357 PolarHBondContact O-N 3.47Å; F354-Q357 VanDerWaalsContact O-N 3.17Å; W355-Q357 VanDerWaalsContact C-N 3.26Å; W355-Q357 PolarHBondContact O-N 3.28Å; Q357-Q360 PolarHBondContact O-NE2 2.88Å
358	K	90.1	Very high	84.7	Confident	41 Å²	41	61.3 Å²	61.3	18%	0.178	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-48.7	-177.4	-178.4	167.1	-173.5	162	0	112	E62 F354 W355 N383	E62-K358 WeakPolarHBondContact OE1-CD 3.42Å; E62-K358 WeakPolarHBondContact OE1-CE 3.11Å; E62-K358 IonicContact OE1-NZ 2.68Å; E62-K358 PolarHBondContact OE1-NZ 3.38Å; F354-K358 HydrophobicContact CE2-CB 4.11Å; F354-K358 HydrophobicContact CE2-CD 3.96Å; F354-K358 HydrophobicContact CZ-CD 3.83Å; F354-K358 WeakPolarHBondContact O-CB 3.27Å; F354-K358 PolarHBondContact O-N 3.47Å; W355-K358 PolarHBondContact O-N 3.26Å; K358-N383 WeakPolarHBondContact CE-O 3.36Å; K358-N383 WeakPolarHBondContact CE-OD1 3.18Å; K358-N383 PolarHBondContact NZ-O 2.89Å; K358-N383 PolarHBondContact NZ-OD1 3.2Å; K358-N383 VanDerWaalsContact NZ-OD1 3.1Å
359	F	91.6	Very high	83.2	Confident	47 Å²	47	70.4 Å²	70.4	21%	0.206	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.8	-176.8	-61.5	-72.3	0	0	0	114	W355 C361 L377 A378 I379	W355-F359 AromaticContact CD1-CD2 3.77Å; W355-F359 AromaticContact CD2-CD2 3.78Å; W355-F359 HydrophobicContact CD2-CD2 3.78Å; W355-F359 AromaticContact CD2-CE2 3.65Å; W355-F359 HydrophobicContact CD2-CE2 3.65Å; W355-F359 AromaticContact CE2-CD2 3.63Å; W355-F359 AromaticContact CE2-CE2 3.54Å; W355-F359 HydrophobicContact CE3-CD2 4.45Å; W355-F359 AromaticContact CE3-CE2 3.9Å; W355-F359 HydrophobicContact CE3-CE2 3.9Å; W355-F359 AromaticContact CG-CD2 3.91Å; W355-F359 HydrophobicContact CG-CD2 3.91Å; W355-F359 HydrophobicContact CG-CE2 4.26Å; W355-F359 HydrophobicContact CH2-CE2 4Å; W355-F359 HydrophobicContact CZ2-CD2 4.22Å; W355-F359 AromaticContact CZ2-CE2 3.74Å; W355-F359 HydrophobicContact CZ2-CE2 3.74Å; W355-F359 HydrophobicContact CZ2-CZ 4.46Å; W355-F359 HydrophobicContact CZ3-CE2 4.07Å; W355-F359 AromaticContact NE1-CD2 3.58Å; W355-F359 AromaticContact NE1-CE2 4Å; W355-F359 PolarHBondContact O-N 3.02Å; W355-F359 VanDerWaalsContact O-N 3.09Å; F359-C361 PolarHBondContact O-N 2.96Å; F359-C361 VanDerWaalsContact O-N 3.1Å; F359-L377 HydrophobicContact CB-CD1 3.86Å; F359-L377 HydrophobicContact CD1-CD1 4.28Å; F359-L377 HydrophobicContact CD1-CD2 3.81Å; F359-L377 HydrophobicContact CD1-CG 4.45Å; F359-L377 HydrophobicContact CD2-CD1 4.39Å; F359-L377 HydrophobicContact CE1-CD2 4.17Å; F359-L377 HydrophobicContact CG-CD1 3.93Å; F359-L377 HydrophobicContact CG-CD2 4.32Å; F359-A378 WeakPolarHBondContact CZ-O 3.44Å; F359-I379 HydrophobicContact CZ-CG1 4.44Å
360	Q	90.4	Very high	81.9	Confident	118 Å²	118	74.1 Å²	74.1	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	35	178.4	-65.6	-66.4	-38.1	0	0	114.2	E356 Q357	E356-Q360 VanDerWaalsContact O-CA 3.3Å; E356-Q360 WeakPolarHBondContact O-CA 3.4Å; E356-Q360 PolarHBondContact O-N 3.39Å; E356-Q360 VanDerWaalsContact O-N 3.16Å; Q357-Q360 PolarHBondContact O-NE2 2.88Å
361	C	90.1	Very high	81.4	Confident	7 Å²	7	83.1 Å²	83.1	5%	0.047	37%	0.372	C	S	.	.			trans	-120.7	-176.5	-175.6	64.1	0	0	0	0	110.9	E356 F359 R371 C373	E356-C361 WeakPolarHBondContact CB-O 3.46Å; E356-C361 PolarHBondContact O-N 3.43Å; F359-C361 PolarHBondContact O-N 2.96Å; F359-C361 VanDerWaalsContact O-N 3.1Å; C361-R371 CarbonylContact C-O 3.49Å; C361-R371 VanDerWaalsContact CA-O 3.24Å; C361-R371 WeakPolarHBondContact CA-O 3.43Å; C361-R371 WeakPolarHBondContact CB-O 3.43Å; C361-C373 HydrophobicContact CB-CB 3.87Å; C361-C373 WeakPolarHBondContact CB-SG 3.5Å; C361-C373 VanDerWaalsContact SG-CA 3.51Å; C361-C373 WeakPolarHBondContact SG-CB 3.34Å; C361-C373 CovalentContact SG-SG 2.03Å; C361-C373 PolarHBondContact SG-SG 2.99Å
362	S	88.9	Confident	81	Confident	6 Å²	6	87.1 Å²	87.1	4%	0.042	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-129.3	136.6	168.1	-166.7	0	0	0	0	113	E356 Q364 R371 V372 C373	E356-S362 VanDerWaalsContact OE1-CA 3.26Å; E356-S362 WeakPolarHBondContact OE1-CA 3.36Å; E356-S362 PolarHBondContact OE1-OG 2.88Å; S362-Q364 PolarHBondContact OG-N 3.32Å; S362-Q364 PolarHBondContact OG-O 3.21Å; S362-Q364 VanDerWaalsContact OG-O 3.07Å; S362-R371 PolarHBondContact N-O 3.37Å; S362-V372 WeakPolarHBondContact O-CA 3.48Å; S362-C373 PolarHBondContact N-SG 2.84Å; S362-C373 VanDerWaalsContact N-SG 3.44Å; S362-C373 PolarHBondContact O-N 3.46Å; S362-C373 PolarHBondContact O-SG 3.03Å
363	L	84.9	Confident	80.7	Confident	27 Å²	27	84 Å²	84	14%	0.141	39%	0.386	C	S	.	.	S	Bend	trans	-87	-14.7	176.7	-65.9	169.3	0	0	0	112.2	P342 R352 W355 E356 C373	P342-L363 HydrophobicContact CB-CD1 3.63Å; P342-L363 HydrophobicContact CB-CD2 4.19Å; P342-L363 HydrophobicContact CG-CD1 3.76Å; P342-L363 HydrophobicContact CG-CD2 4.06Å; R352-L363 HydrophobicContact CB-CD1 4.08Å; W355-L363 HydrophobicContact CB-CD1 4.28Å; E356-L363 HydrophobicContact CG-CB 4.38Å; E356-L363 HydrophobicContact CG-CD1 4.17Å; E356-L363 HydrophobicContact CG-CG 4.05Å; E356-L363 PolarHBondContact OE1-N 3Å; L363-C373 HydrophobicContact CD2-CB 3.85Å
364	Q	75.4	Confident	80.5	Confident	105 Å²	105	85.1 Å²	85.1	49%	0.491	39%	0.392	S	S	.	.	S	Bend	trans	-115.7	132.4	172.5	-64.3	-164.2	22.7	0	0	110.5	S362 K366	S362-Q364 PolarHBondContact OG-N 3.32Å; S362-Q364 PolarHBondContact OG-O 3.21Å; S362-Q364 VanDerWaalsContact OG-O 3.07Å; Q364-K366 HydrophobicContact CB-CB 4.39Å; Q364-K366 PolarHBondContact O-N 2.96Å
365	N	62.4	Low	80	Confident	153 Å²	153	93.3 Å²	93.3	82%	0.818	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	38.2	179	-149.4	27.2	0	0	0	112.9
366	K	56.8	Low	79.6	Confident	176 Å²	176	101.1 Å²	101.1	77%	0.765	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-2.3	-167.7	-74.9	-168.8	175.5	-178	0	115	Q364	Q364-K366 HydrophobicContact CB-CB 4.39Å; Q364-K366 PolarHBondContact O-N 2.96Å
367	R	56.9	Low	79.5	Confident	181 Å²	181	102.9 Å²	102.9	68%	0.683	47%	0.474	S	S	*	.	S	Bend	trans	-118	111.7	174.1	-78.3	179.5	168.6	164.3	-5.6	110
368	N	59.5	Low	79.5	Confident	148 Å²	148	102.4 Å²	102.4	79%	0.791	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	144.7	174.3	-70.3	-21.2	0	0	0	110.6
369	H	62.8	Low	79.5	Confident	193 Å²	193	100.7 Å²	100.7	89%	0.894	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	13.3	175.6	-41.1	-38.8	0	0	0	118.6
370	R	67.3	Low	79.4	Confident	127 Å²	127	101.3 Å²	101.3	48%	0.479	48%	0.479	S	S	.	.	S	Bend	trans	-117.4	147.1	162.9	-77.4	-168.5	175.4	-167.1	-3.3	112.6
371	R	83.8	Confident	79.2	Confident	198 Å²	198	101 Å²	101	75%	0.747	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-70.4	138.2	174.9	-177.1	179.4	171.5	179.5	-3.3	109.7	C361 S362	C361-R371 CarbonylContact C-O 3.49Å; C361-R371 VanDerWaalsContact CA-O 3.24Å; C361-R371 WeakPolarHBondContact CA-O 3.43Å; C361-R371 WeakPolarHBondContact CB-O 3.43Å; S362-R371 PolarHBondContact N-O 3.37Å
372	V	85.9	Confident	78.9	Confident	84 Å²	84	105.8 Å²	105.8	51%	0.509	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-62.9	136.3	173	-177.6	0	0	0	0	109.7	S362	S362-V372 WeakPolarHBondContact O-CA 3.48Å
373	C	86.1	Confident	78.8	Confident	10 Å²	10	107.9 Å²	107.9	7%	0.068	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-61.7	135	176.1	-59.8	0	0	0	0	111.1	C361 S362 L363 L377	C361-C373 HydrophobicContact CB-CB 3.87Å; C361-C373 WeakPolarHBondContact CB-SG 3.5Å; C361-C373 VanDerWaalsContact SG-CA 3.51Å; C361-C373 WeakPolarHBondContact SG-CB 3.34Å; C361-C373 CovalentContact SG-SG 2.03Å; C361-C373 PolarHBondContact SG-SG 2.99Å; S362-C373 PolarHBondContact N-SG 2.84Å; S362-C373 VanDerWaalsContact N-SG 3.44Å; S362-C373 PolarHBondContact O-N 3.46Å; S362-C373 PolarHBondContact O-SG 3.03Å; L363-C373 HydrophobicContact CD2-CB 3.85Å; C373-L377 HydrophobicContact CB-CD1 4.17Å
374	D	86.8	Confident	79	Confident	81 Å²	81	107.6 Å²	107.6	43%	0.433	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-72	142.4	171	-163.7	-36.4	0	0	0	109.7	H376 L377	D374-H376 PolarHBondContact O-N 3.29Å; D374-H376 IonicContact OD1-CD2 3.35Å; D374-H376 PolarHBondContact OD1-CD2 3.02Å; D374-H376 IonicContact OD1-CG 3.84Å; D374-H376 PolarHBondContact OD1-N 3.13Å; D374-L377 HydrophobicContact CB-CD1 4.46Å; D374-L377 HydrophobicContact CB-CG 4.12Å; D374-L377 WeakPolarHBondContact O-CG 3.07Å; D374-L377 PolarHBondContact O-N 2.84Å
375	K	83.3	Confident	79.6	Confident	171 Å²	171	109.1 Å²	109.1	74%	0.743	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.2	177.5	-65.6	-176.5	179.6	-178.9	0	112.7
376	H	85.1	Confident	81	Confident	172 Å²	172	103.3 Å²	103.3	80%	0.796	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	3	177.3	-61.6	-72.7	0	0	0	113.7	D374	D374-H376 PolarHBondContact O-N 3.29Å; D374-H376 IonicContact OD1-CD2 3.35Å; D374-H376 PolarHBondContact OD1-CD2 3.02Å; D374-H376 IonicContact OD1-CG 3.84Å; D374-H376 PolarHBondContact OD1-N 3.13Å
377	L	89.4	Confident	82.6	Confident	55 Å²	55	95.4 Å²	95.4	29%	0.288	47%	0.472	S	S	.	.			trans	-64.2	134.5	169.9	-69	171	0	0	0	110.2	W355 F359 C373 D374	W355-L377 HydrophobicContact CZ2-CB 3.78Å; W355-L377 WeakPolarHBondContact CZ2-O 3.43Å; F359-L377 HydrophobicContact CB-CD1 3.86Å; F359-L377 HydrophobicContact CD1-CD1 4.28Å; F359-L377 HydrophobicContact CD1-CD2 3.81Å; F359-L377 HydrophobicContact CD1-CG 4.45Å; F359-L377 HydrophobicContact CD2-CD1 4.39Å; F359-L377 HydrophobicContact CE1-CD2 4.17Å; F359-L377 HydrophobicContact CG-CD1 3.93Å; F359-L377 HydrophobicContact CG-CD2 4.32Å; C373-L377 HydrophobicContact CB-CD1 4.17Å; D374-L377 HydrophobicContact CB-CD1 4.46Å; D374-L377 HydrophobicContact CB-CG 4.12Å; D374-L377 WeakPolarHBondContact O-CG 3.07Å; D374-L377 PolarHBondContact O-N 2.84Å
378	A	91.3	Very high	84.1	Confident	50 Å²	50	87.8 Å²	87.8	41%	0.413	45%	0.446	S	S	.	.			trans	-138.5	157.2	178.2	0	0	0	0	0	110.4	F359 N383	F359-A378 WeakPolarHBondContact CZ-O 3.44Å; A378-N383 PolarHBondContact O-ND2 3.09Å
379	I	91.3	Very high	85.7	Confident	5 Å²	5	81.1 Å²	81.1	3%	0.026	41%	0.41	C	S	.	.			trans	-87.9	119.4	168.5	-62	175.3	0	0	0	106.7	F337 Q338 F351 F354 W355 F359 Y384	F337-I379 HydrophobicContact CD1-CD1 4.37Å; F337-I379 HydrophobicContact CD1-CG2 4.05Å; F337-I379 HydrophobicContact CE1-CD1 3.97Å; F337-I379 HydrophobicContact CE1-CG2 4.18Å; Q338-I379 WeakPolarHBondContact CB-O 3.44Å; Q338-I379 HydrophobicContact CG-CG2 4.31Å; Q338-I379 WeakPolarHBondContact CG-O 3.39Å; F351-I379 HydrophobicContact CZ-CD1 4.12Å; F354-I379 HydrophobicContact CE1-CD1 4.01Å; F354-I379 HydrophobicContact CZ-CD1 4.34Å; W355-I379 HydrophobicContact CE3-CD1 4.29Å; W355-I379 HydrophobicContact CE3-CG1 4.48Å; W355-I379 HydrophobicContact CH2-CG1 4.32Å; W355-I379 HydrophobicContact CZ3-CD1 3.8Å; W355-I379 HydrophobicContact CZ3-CG1 3.74Å; F359-I379 HydrophobicContact CZ-CG1 4.44Å; I379-Y384 HydrophobicContact CG2-CD2 4.18Å; I379-Y384 HydrophobicContact CG2-CG 3.95Å
380	D	89.6	Confident	87.3	Confident	61 Å²	61	71.9 Å²	71.9	33%	0.326	37%	0.368	S	S	.	.			trans	-139.5	172.1	-173.1	66.9	42.6	0	0	0	111.9	S382 N383 Y384	D380-S382 PolarHBondContact O-N 3.18Å; D380-S382 WeakPolarHBondContact OD1-CA 3.4Å; D380-S382 VanDerWaalsContact OD1-CB 3.28Å; D380-S382 WeakPolarHBondContact OD1-CB 3.32Å; D380-S382 PolarHBondContact OD1-N 3.19Å; D380-S382 PolarHBondContact OD1-OG 3.12Å; D380-N383 PolarHBondContact N-ND2 2.81Å; D380-N383 PolarHBondContact N-OD1 3.17Å; D380-N383 CarbonylContact O-C 3.6Å; D380-N383 PolarHBondContact O-N 3.22Å; D380-N383 PolarHBondContact OD1-N 3.3Å; D380-N383 PolarHBondContact OD1-ND2 3.1Å; D380-N383 VanDerWaalsContact OD1-ND2 3.1Å; D380-N383 PolarHBondContact OD2-ND2 3.11Å; D380-Y384 WeakPolarHBondContact O-CB 3.39Å; D380-Y384 PolarHBondContact O-N 3.32Å
381	S	84.8	Confident	88.6	Confident	112 Å²	112	67.3 Å²	67.3	78%	0.783	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	1.8	-177.9	60.2	0	0	0	0	115.5
382	S	84.9	Confident	89.1	Confident	107 Å²	107	58.7 Å²	58.7	75%	0.748	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-21.8	168.3	78.6	0	0	0	0	112.7	D380	D380-S382 PolarHBondContact O-N 3.18Å; D380-S382 WeakPolarHBondContact OD1-CA 3.4Å; D380-S382 VanDerWaalsContact OD1-CB 3.28Å; D380-S382 WeakPolarHBondContact OD1-CB 3.32Å; D380-S382 PolarHBondContact OD1-N 3.19Å; D380-S382 PolarHBondContact OD1-OG 3.12Å
383	N	86.6	Confident	89.7	Confident	49 Å²	49	54.7 Å²	54.7	26%	0.262	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-0.9	-176.9	76.7	66.7	0	0	0	114.6	K358 A378 D380	K358-N383 WeakPolarHBondContact CE-O 3.36Å; K358-N383 WeakPolarHBondContact CE-OD1 3.18Å; K358-N383 PolarHBondContact NZ-O 2.89Å; K358-N383 PolarHBondContact NZ-OD1 3.2Å; K358-N383 VanDerWaalsContact NZ-OD1 3.1Å; A378-N383 PolarHBondContact O-ND2 3.09Å; D380-N383 PolarHBondContact N-ND2 2.81Å; D380-N383 PolarHBondContact N-OD1 3.17Å; D380-N383 CarbonylContact O-C 3.6Å; D380-N383 PolarHBondContact O-N 3.22Å; D380-N383 PolarHBondContact OD1-N 3.3Å; D380-N383 PolarHBondContact OD1-ND2 3.1Å; D380-N383 VanDerWaalsContact OD1-ND2 3.1Å; D380-N383 PolarHBondContact OD2-ND2 3.11Å
384	Y	88.9	Confident	90.2	Very high	21 Å²	21	54.3 Å²	54.3	8%	0.082	29%	0.293	C	S	.	.			trans	-133.3	133	-179.8	164.9	-94.9	0	0	0	112.3	Q67 F333 F337 Q338 I379 D380 Q386	Q67-Y384 HydrophobicContact CG-CE2 4.23Å; F333-Y384 WeakPolarHBondContact CE1-OH 3.48Å; F337-Y384 AromaticContact CD1-CD2 3.55Å; F337-Y384 HydrophobicContact CD1-CD2 3.55Å; F337-Y384 AromaticContact CD1-CE2 3.27Å; F337-Y384 HydrophobicContact CD1-CE2 3.27Å; F337-Y384 HydrophobicContact CD1-CG 4.41Å; F337-Y384 AromaticContact CD1-CZ 3.96Å; F337-Y384 AromaticContact CE1-CD2 3.64Å; F337-Y384 HydrophobicContact CE1-CD2 3.64Å; F337-Y384 AromaticContact CE1-CE2 3.61Å; F337-Y384 HydrophobicContact CE1-CE2 3.61Å; F337-Y384 HydrophobicContact CG-CE2 4.09Å; Q338-Y384 HydrophobicContact CG-CD1 4.38Å; I379-Y384 HydrophobicContact CG2-CD2 4.18Å; I379-Y384 HydrophobicContact CG2-CG 3.95Å; D380-Y384 WeakPolarHBondContact O-CB 3.39Å; D380-Y384 PolarHBondContact O-N 3.32Å; Y384-Q386 HydrophobicContact CE1-CB 4.31Å; Y384-Q386 WeakPolarHBondContact OH-CB 3.45Å
385	E	88.3	Confident	90.6	Very high	137 Å²	137	50.9 Å²	50.9	64%	0.64	28%	0.275	S	S	*	.			trans	-124.8	140.5	166.7	-178.7	167.3	-144.8	0	0	108.5	Q67	Q67-E385 PolarHBondContact NE2-O 2.85Å; Q67-E385 PolarHBondContact OE1-O 3.3Å
386	Q	91.1	Very high	91.3	Very high	32 Å²	32	42.7 Å²	42.7	15%	0.15	24%	0.239	C	C	.	.			trans	-79.4	126.8	-178	-176	179.8	94.4	0	0	110.9	V330 F333 D334 Y384 S388 I390	V330-Q386 PolarHBondContact O-NE2 2.89Å; F333-Q386 HydrophobicContact CD1-CG 4.38Å; D334-Q386 PolarHBondContact OD1-NE2 3.35Å; Y384-Q386 HydrophobicContact CE1-CB 4.31Å; Y384-Q386 WeakPolarHBondContact OH-CB 3.45Å; Q386-S388 PolarHBondContact O-N 2.95Å; Q386-I390 HydrophobicContact CG-CB 4.18Å; Q386-I390 HydrophobicContact CG-CG1 4.04Å; Q386-I390 HydrophobicContact CG-CG2 4.37Å
387	E	90.9	Very high	92	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.047	20%	0.201	C	C	.	.			trans	-65.7	134.5	179.4	-163.9	-91.3	164.9	0	0	111.9	D63 R68 K389 I390	D63-E387 HydrophobicContact CB-CB 4.25Å; D63-E387 HydrophobicContact CB-CG 4.02Å; D63-E387 WeakPolarHBondContact O-CB 3.38Å; R68-E387 IonicContact CZ-OE1 2.73Å; R68-E387 IonicContact CZ-OE2 3.51Å; R68-E387 IonicContact NE-OE1 2.73Å; R68-E387 IonicContact NE-OE2 3.41Å; R68-E387 PolarHBondContact NE-OE2 3.21Å; R68-E387 VanDerWaalsContact NH2-CD 3.31Å; R68-E387 IonicContact NH2-OE1 3.4Å; R68-E387 PolarHBondContact NH2-OE1 3.06Å; R68-E387 IonicContact NH2-OE2 2.69Å; R68-E387 PolarHBondContact NH2-OE2 3.25Å; E387-K389 PolarHBondContact O-N 3.25Å; E387-K389 WeakPolarHBondContact OE2-CA 3.24Å; E387-K389 WeakPolarHBondContact OE2-CB 3.44Å; E387-K389 PolarHBondContact OE2-N 2.92Å; E387-K389 VanDerWaalsContact OE2-N 3.07Å; E387-I390 HydrophobicContact CB-CG1 4.12Å; E387-I390 WeakPolarHBondContact O-CB 3.48Å; E387-I390 WeakPolarHBondContact O-CG1 3.39Å; E387-I390 PolarHBondContact O-N 3.37Å
388	S	89.4	Confident	92.4	Very high	21 Å²	21	32.7 Å²	32.7	15%	0.147	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	-168.5	61.1	0	0	0	0	114.9	E324 S327 Q386	E324-S388 VanDerWaalsContact CD-CB 3.41Å; E324-S388 VanDerWaalsContact OE1-CB 3.3Å; E324-S388 WeakPolarHBondContact OE1-CB 3.49Å; E324-S388 PolarHBondContact OE1-OG 3.49Å; S327-S388 VanDerWaalsContact CB-O 3.23Å; S327-S388 WeakPolarHBondContact CB-O 3.23Å; S327-S388 PolarHBondContact OG-O 3.39Å; Q386-S388 PolarHBondContact O-N 2.95Å
389	K	92.6	Very high	92.7	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.03	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.8	-179.4	-58.5	177.8	168.3	66.5	0	114.2	A172 D301 L325 E387 M391 F392 V393	A172-K389 HydrophobicContact CB-CD 3.91Å; D301-K389 PolarHBondContact O-NZ 3.2Å; D301-K389 WeakPolarHBondContact OD2-CE 3.48Å; D301-K389 IonicContact OD2-NZ 3.19Å; D301-K389 PolarHBondContact OD2-NZ 2.9Å; L325-K389 HydrophobicContact CD1-CD 4.48Å; L325-K389 HydrophobicContact CD1-CG 4.47Å; E387-K389 PolarHBondContact O-N 3.25Å; E387-K389 WeakPolarHBondContact OE2-CA 3.24Å; E387-K389 WeakPolarHBondContact OE2-CB 3.44Å; E387-K389 PolarHBondContact OE2-N 2.92Å; E387-K389 VanDerWaalsContact OE2-N 3.07Å; K389-M391 VanDerWaalsContact C-N 3.25Å; K389-M391 PolarHBondContact O-N 3.32Å; K389-F392 HydrophobicContact CB-CD2 4.14Å; K389-F392 HydrophobicContact CG-CD2 4.22Å; K389-F392 WeakPolarHBondContact O-CB 3.05Å; K389-F392 PolarHBondContact O-N 2.89Å; K389-V393 PolarHBondContact O-N 3.29Å
390	I	95.3	Very high	93	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-53.9	-41.2	173.7	-68.5	-73.1	0	0	0	111.9	Q67 R68 A71 F333 Q386 E387 F392 V393 V394	Q67-I390 VanDerWaalsContact C-CD1 3.47Å; Q67-I390 HydrophobicContact CB-CD1 3.7Å; Q67-I390 WeakPolarHBondContact O-CD1 3.34Å; R68-I390 HydrophobicContact CB-CD1 4.47Å; R68-I390 HydrophobicContact CG-CD1 3.97Å; A71-I390 HydrophobicContact CB-CD1 3.71Å; A71-I390 HydrophobicContact CB-CG2 3.98Å; F333-I390 HydrophobicContact CB-CG2 4.45Å; F333-I390 HydrophobicContact CD1-CG2 3.85Å; F333-I390 HydrophobicContact CE1-CD1 4.02Å; F333-I390 HydrophobicContact CE1-CG1 4.47Å; F333-I390 HydrophobicContact CE1-CG2 4.3Å; F333-I390 HydrophobicContact CG-CG2 4.07Å; F333-I390 HydrophobicContact CZ-CD1 4.31Å; Q386-I390 HydrophobicContact CG-CB 4.18Å; Q386-I390 HydrophobicContact CG-CG1 4.04Å; Q386-I390 HydrophobicContact CG-CG2 4.37Å; E387-I390 HydrophobicContact CB-CG1 4.12Å; E387-I390 WeakPolarHBondContact O-CB 3.48Å; E387-I390 WeakPolarHBondContact O-CG1 3.39Å; E387-I390 PolarHBondContact O-N 3.37Å; I390-F392 VanDerWaalsContact C-N 3.3Å; I390-F392 PolarHBondContact O-N 2.98Å; I390-V393 WeakPolarHBondContact O-CB 3.33Å; I390-V393 PolarHBondContact O-N 3.45Å; I390-V394 PolarHBondContact O-N 3.08Å; I390-V394 VanDerWaalsContact O-N 3.08Å
391	M	94.3	Very high	93.4	Very high	30 Å²	30	27.2 Å²	27.2	15%	0.148	15%	0.154	C	C	.	.	H	α-helix	trans	-56.4	-40.7	174	-171.6	-166.5	75.7	0	0	112.5	V330 K389 V394 N395	V330-M391 HydrophobicContact CG2-CB 4.3Å; K389-M391 VanDerWaalsContact C-N 3.25Å; K389-M391 PolarHBondContact O-N 3.32Å; M391-V394 PolarHBondContact O-N 3.33Å; M391-N395 VanDerWaalsContact O-CB 3.32Å; M391-N395 WeakPolarHBondContact O-CB 2.83Å; M391-N395 PolarHBondContact O-N 3.37Å; M391-N395 PolarHBondContact O-ND2 2.99Å; M391-N395 PolarHBondContact O-OD1 3.09Å
392	F	95.7	Very high	94	Very high	17 Å²	17	24.3 Å²	24.3	8%	0.075	13%	0.128	C	C	.	.	H	α-helix	trans	-73.1	-28.3	-179.9	-61.8	-66.5	0	0	0	112.9	T190 V191 L325 K389 I390 A396	T190-F392 VanDerWaalsContact O-CD1 3.24Å; T190-F392 WeakPolarHBondContact O-CD1 3.24Å; T190-F392 PolarHBondContact OG1-O 3.44Å; V191-F392 HydrophobicContact CG1-CB 3.93Å; V191-F392 HydrophobicContact CG1-CD1 3.82Å; V191-F392 HydrophobicContact CG1-CD2 3.89Å; V191-F392 HydrophobicContact CG1-CE1 4.33Å; V191-F392 HydrophobicContact CG1-CE2 4.42Å; V191-F392 HydrophobicContact CG1-CG 3.6Å; L325-F392 HydrophobicContact CB-CE2 3.53Å; L325-F392 HydrophobicContact CB-CZ 3.82Å; L325-F392 HydrophobicContact CD1-CD2 4.08Å; L325-F392 HydrophobicContact CD1-CE2 3.75Å; L325-F392 HydrophobicContact CD1-CZ 4.26Å; L325-F392 HydrophobicContact CG-CE2 4.3Å; K389-F392 HydrophobicContact CB-CD2 4.14Å; K389-F392 HydrophobicContact CG-CD2 4.22Å; K389-F392 WeakPolarHBondContact O-CB 3.05Å; K389-F392 PolarHBondContact O-N 2.89Å; I390-F392 VanDerWaalsContact C-N 3.3Å; I390-F392 PolarHBondContact O-N 2.98Å; F392-A396 WeakPolarHBondContact O-CB 3.44Å; F392-A396 PolarHBondContact O-N 3.4Å
393	V	97.6	Very high	94.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.8	-52.5	170.6	-177.7	0	0	0	0	110.2	F45 R68 A71 M72 Y171 K389 I390 N395 A396 V397	F45-V393 HydrophobicContact CE1-CG1 4.17Å; F45-V393 HydrophobicContact CZ-CG1 4.41Å; R68-V393 HydrophobicContact CB-CG2 4.02Å; R68-V393 HydrophobicContact CG-CG2 4.09Å; A71-V393 HydrophobicContact CB-CB 4.36Å; A71-V393 HydrophobicContact CB-CG1 4.17Å; M72-V393 HydrophobicContact CB-CG1 4.17Å; Y171-V393 HydrophobicContact CD1-CG2 4.12Å; Y171-V393 HydrophobicContact CD2-CG2 3.74Å; Y171-V393 HydrophobicContact CE2-CG2 4.36Å; Y171-V393 HydrophobicContact CG-CB 4.46Å; Y171-V393 HydrophobicContact CG-CG2 3.63Å; K389-V393 PolarHBondContact O-N 3.29Å; I390-V393 WeakPolarHBondContact O-CB 3.33Å; I390-V393 PolarHBondContact O-N 3.45Å; V393-N395 VanDerWaalsContact C-N 3.34Å; V393-N395 PolarHBondContact O-N 2.79Å; V393-A396 WeakPolarHBondContact O-CB 2.73Å; V393-A396 PolarHBondContact O-N 3.45Å; V393-V397 PolarHBondContact O-N 2.86Å; V393-V397 VanDerWaalsContact O-N 3.13Å
394	V	97.1	Very high	95	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.012	8%	0.08	C	C	.	.	H	α-helix	trans	-59.3	-46.5	178.7	177.8	0	0	0	0	110.3	A71 F74 A75 I390 M391 A396 V397 Y398 P443 F444	A71-V394 HydrophobicContact CB-CG2 4.45Å; F74-V394 HydrophobicContact CD1-CG2 4.5Å; A75-V394 HydrophobicContact CB-CG1 4.23Å; A75-V394 HydrophobicContact CB-CG2 4.47Å; I390-V394 PolarHBondContact O-N 3.08Å; I390-V394 VanDerWaalsContact O-N 3.08Å; M391-V394 PolarHBondContact O-N 3.33Å; V394-A396 PolarHBondContact O-N 3.35Å; V394-V397 PolarHBondContact O-N 3.08Å; V394-Y398 HydrophobicContact CG1-CD2 3.76Å; V394-Y398 HydrophobicContact CG1-CE2 3.86Å; V394-Y398 WeakPolarHBondContact O-CD2 3.38Å; V394-Y398 PolarHBondContact O-N 3.49Å; V394-P443 HydrophobicContact CG1-CG 3.8Å; V394-F444 HydrophobicContact CG1-CD2 4.21Å; V394-F444 HydrophobicContact CG1-CE2 4.06Å
395	N	96.1	Very high	95.3	Very high	9 Å²	9	16.9 Å²	16.9	5%	0.048	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-33.4	175.9	-71.9	-11.2	0	0	0	112.8	T190 M391 V393 A399 V454	T190-N395 HydrophobicContact CG2-CB 4.02Å; M391-N395 VanDerWaalsContact O-CB 3.32Å; M391-N395 WeakPolarHBondContact O-CB 2.83Å; M391-N395 PolarHBondContact O-N 3.37Å; M391-N395 PolarHBondContact O-ND2 2.99Å; M391-N395 PolarHBondContact O-OD1 3.09Å; V393-N395 VanDerWaalsContact C-N 3.34Å; V393-N395 PolarHBondContact O-N 2.79Å; N395-A399 WeakPolarHBondContact O-CB 3.45Å; N395-A399 PolarHBondContact O-N 3.15Å; N395-V454 HydrophobicContact CB-CG1 4.47Å; N395-V454 HydrophobicContact CB-CG2 4.26Å
396	A	97.9	Very high	95.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-72.1	-39.4	178.8	0	0	0	0	0	112.1	I146 I169 T190 F392 V393 V394 A399 M400	I146-A396 HydrophobicContact CD1-CB 4.33Å; I146-A396 HydrophobicContact CG2-CB 4.09Å; I169-A396 HydrophobicContact CB-CB 4.31Å; I169-A396 HydrophobicContact CG2-CB 3.67Å; T190-A396 HydrophobicContact CG2-CB 3.94Å; F392-A396 WeakPolarHBondContact O-CB 3.44Å; F392-A396 PolarHBondContact O-N 3.4Å; V393-A396 WeakPolarHBondContact O-CB 2.73Å; V393-A396 PolarHBondContact O-N 3.45Å; V394-A396 PolarHBondContact O-N 3.35Å; A396-A399 PolarHBondContact O-N 2.98Å; A396-M400 PolarHBondContact O-N 3.38Å; A396-M400 VanDerWaalsContact O-N 3.15Å
397	V	98.2	Very high	95.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.8	-48.1	174.3	-178.5	0	0	0	0	110.6	M72 A75 I76 I79 I146 V393 V394 A399 M400 A401	M72-V397 HydrophobicContact CB-CG2 4.27Å; M72-V397 HydrophobicContact CG-CG2 3.88Å; A75-V397 HydrophobicContact CB-CB 3.88Å; A75-V397 HydrophobicContact CB-CG1 3.87Å; A75-V397 HydrophobicContact CB-CG2 4.17Å; I76-V397 HydrophobicContact CD1-CG1 3.71Å; I76-V397 HydrophobicContact CG1-CG1 3.95Å; I79-V397 HydrophobicContact CD1-CG1 3.77Å; I146-V397 HydrophobicContact CG1-CG2 4.36Å; I146-V397 HydrophobicContact CG2-CG2 4.41Å; V393-V397 PolarHBondContact O-N 2.86Å; V393-V397 VanDerWaalsContact O-N 3.13Å; V394-V397 PolarHBondContact O-N 3.08Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 3.17Å; V397-M400 PolarHBondContact O-N 2.97Å; V397-A401 PolarHBondContact O-N 2.82Å
398	Y	97.7	Very high	95.9	Very high	17 Å²	17	12.8 Å²	12.8	7%	0.067	6%	0.06	C	C	.	.	H	α-helix	trans	-63.9	-35.8	176.9	-86.9	-99.1	0	0	0	112.5	A75 I79 L85 V394 M400 A401 H402 P443 F444	A75-Y398 HydrophobicContact CB-CD2 4.36Å; A75-Y398 HydrophobicContact CB-CE2 4.14Å; I79-Y398 HydrophobicContact CD1-CD1 4.25Å; I79-Y398 HydrophobicContact CD1-CD2 3.82Å; I79-Y398 HydrophobicContact CD1-CE1 4.25Å; I79-Y398 HydrophobicContact CD1-CE2 3.85Å; I79-Y398 HydrophobicContact CD1-CG 4.04Å; I79-Y398 HydrophobicContact CG1-CD1 4.2Å; I79-Y398 HydrophobicContact CG1-CD2 4.24Å; I79-Y398 HydrophobicContact CG1-CE1 3.74Å; I79-Y398 HydrophobicContact CG1-CE2 3.8Å; I79-Y398 HydrophobicContact CG1-CG 4.44Å; L85-Y398 HydrophobicContact CD2-CD1 3.91Å; L85-Y398 HydrophobicContact CD2-CE1 4.04Å; V394-Y398 HydrophobicContact CG1-CD2 3.76Å; V394-Y398 HydrophobicContact CG1-CE2 3.86Å; V394-Y398 WeakPolarHBondContact O-CD2 3.38Å; V394-Y398 PolarHBondContact O-N 3.49Å; Y398-M400 PolarHBondContact O-N 3.34Å; Y398-A401 PolarHBondContact O-N 3.26Å; Y398-H402 WeakPolarHBondContact O-CB 3.27Å; Y398-H402 PolarHBondContact O-CD2 3.4Å; Y398-H402 PolarHBondContact O-N 2.88Å; Y398-P443 HydrophobicContact CD1-CB 4.25Å; Y398-P443 HydrophobicContact CD1-CG 4.11Å; Y398-P443 HydrophobicContact CD2-CB 4.43Å; Y398-P443 HydrophobicContact CD2-CG 3.75Å; Y398-P443 HydrophobicContact CE1-CB 4.04Å; Y398-P443 HydrophobicContact CE1-CG 4.31Å; Y398-P443 HydrophobicContact CE2-CB 4.21Å; Y398-P443 HydrophobicContact CE2-CG 3.95Å; Y398-P443 HydrophobicContact CG-CB 4.44Å; Y398-P443 HydrophobicContact CG-CG 3.83Å; Y398-F444 HydrophobicContact CE2-CE2 4.14Å
399	A	97.8	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.4	-45.1	173.4	0	0	0	0	0	112.2	I169 N395 A396 V397 A403 I438 F440 F456	I169-A399 HydrophobicContact CD1-CB 4.03Å; N395-A399 WeakPolarHBondContact O-CB 3.45Å; N395-A399 PolarHBondContact O-N 3.15Å; A396-A399 PolarHBondContact O-N 2.98Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 3.17Å; A399-A403 WeakPolarHBondContact O-CB 3.46Å; A399-A403 PolarHBondContact O-N 2.73Å; A399-I438 HydrophobicContact CB-CD1 3.42Å; A399-I438 VanDerWaalsContact CB-CD1 3.42Å; A399-F440 HydrophobicContact CB-CE1 4.04Å; A399-F440 HydrophobicContact CB-CZ 4.16Å; A399-F456 HydrophobicContact CB-CE2 4.39Å; A399-F456 HydrophobicContact CB-CZ 4.08Å
400	M	97.9	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-44.3	175.1	-170.4	63.3	73.1	0	0	111.5	L41 I146 P167 I169 A396 V397 Y398 H402 A403 L404 L430 L435	L41-M400 HydrophobicContact CD1-CB 4.17Å; L41-M400 HydrophobicContact CD1-CG 3.89Å; L41-M400 HydrophobicContact CD2-CG 3.69Å; L41-M400 HydrophobicContact CG-CG 4.49Å; I146-M400 HydrophobicContact CD1-CB 4.3Å; P167-M400 HydrophobicContact CB-CE 4.47Å; P167-M400 HydrophobicContact CG-CE 4.23Å; I169-M400 HydrophobicContact CD1-CB 4.18Å; I169-M400 HydrophobicContact CD1-CE 3.84Å; I169-M400 HydrophobicContact CG1-CE 3.97Å; A396-M400 PolarHBondContact O-N 3.38Å; A396-M400 VanDerWaalsContact O-N 3.15Å; V397-M400 PolarHBondContact O-N 2.97Å; Y398-M400 PolarHBondContact O-N 3.34Å; M400-H402 PolarHBondContact O-N 2.56Å; M400-A403 PolarHBondContact O-N 2.73Å; M400-L404 HydrophobicContact CG-CD1 4.04Å; M400-L404 HydrophobicContact CG-CG 4.46Å; M400-L404 WeakPolarHBondContact O-CB 3.47Å; M400-L404 WeakPolarHBondContact O-CG 3.42Å; M400-L404 PolarHBondContact O-N 3.19Å; M400-L430 HydrophobicContact SD-CD2 4.36Å; M400-L435 HydrophobicContact CE-CD1 3.96Å; M400-L435 HydrophobicContact SD-CD1 4.24Å
401	A	97.5	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-41.6	178.6	0	0	0	0	0	112.8	I79 L85 L86 L91 V397 Y398 L404 H405	I79-A401 HydrophobicContact CD1-CB 3.84Å; I79-A401 HydrophobicContact CG2-CB 4.21Å; L85-A401 HydrophobicContact CD2-CB 4.06Å; L85-A401 HydrophobicContact CG-CB 4.37Å; L86-A401 HydrophobicContact CD1-CB 4.06Å; L91-A401 HydrophobicContact CD1-CB 4.11Å; V397-A401 PolarHBondContact O-N 2.82Å; Y398-A401 PolarHBondContact O-N 3.26Å; A401-L404 PolarHBondContact O-N 3.07Å; A401-H405 VanDerWaalsContact O-CB 3.29Å; A401-H405 WeakPolarHBondContact O-CB 3.19Å; A401-H405 PolarHBondContact O-N 3.19Å
402	H	97.4	Very high	95.8	Very high	51 Å²	51	21.3 Å²	21.3	24%	0.236	10%	0.101	C	C	.	.	H	α-helix	trans	-65.4	-37.7	173.6	-77.8	-59.4	0	0	0	112.5	L85 Y398 M400 K406 I438 F440	L85-H402 WeakPolarHBondContact CD1-ND1 3.49Å; Y398-H402 WeakPolarHBondContact O-CB 3.27Å; Y398-H402 PolarHBondContact O-CD2 3.4Å; Y398-H402 PolarHBondContact O-N 2.88Å; M400-H402 PolarHBondContact O-N 2.56Å; H402-K406 WeakPolarHBondContact O-CB 3.38Å; H402-K406 PolarHBondContact O-N 2.58Å; H402-I438 HydrophobicContact CB-CG2 4.47Å; H402-F440 AromaticContact CD2-CD1 3.74Å; H402-F440 AromaticContact CD2-CD2 3.42Å; H402-F440 VanDerWaalsContact CD2-CD2 3.42Å; H402-F440 WeakPolarHBondContact CD2-CD2 3.37Å; H402-F440 AromaticContact CD2-CE2 3.76Å; H402-F440 AromaticContact CD2-CG 3.41Å; H402-F440 VanDerWaalsContact CD2-CG 3.41Å; H402-F440 WeakPolarHBondContact CD2-CG 3.23Å; H402-F440 AromaticContact NE2-CD2 3.43Å; H402-F440 WeakPolarHBondContact NE2-CD2 3.35Å; H402-F440 AromaticContact NE2-CG 3.68Å
403	A	97.2	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-48.5	174.3	0	0	0	0	0	111.6	A399 M400 H405 K406 M407 L430 L435 I438	A399-A403 WeakPolarHBondContact O-CB 3.46Å; A399-A403 PolarHBondContact O-N 2.73Å; M400-A403 PolarHBondContact O-N 2.73Å; A403-H405 PolarHBondContact O-N 2.96Å; A403-K406 PolarHBondContact O-N 3.46Å; A403-M407 WeakPolarHBondContact O-CB 3.48Å; A403-M407 PolarHBondContact O-N 3.26Å; A403-L430 HydrophobicContact CB-CD1 4.02Å; A403-L435 HydrophobicContact CB-CB 4.02Å; A403-I438 HydrophobicContact CB-CG2 4.13Å
404	L	95.9	Very high	95	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-40.4	175.8	-71.3	171.9	0	0	0	112	L39 L41 L86 L91 M400 A401 M407 Q408 L425 L430	L39-L404 HydrophobicContact CD1-CD1 3.99Å; L39-L404 HydrophobicContact CD1-CD2 4.01Å; L39-L404 HydrophobicContact CD1-CG 4.41Å; L41-L404 HydrophobicContact CD2-CD1 4.24Å; L86-L404 HydrophobicContact CD1-CB 4.46Å; L86-L404 HydrophobicContact CD2-CB 4.23Å; L91-L404 HydrophobicContact CD2-CD1 4.27Å; M400-L404 HydrophobicContact CG-CD1 4.04Å; M400-L404 HydrophobicContact CG-CG 4.46Å; M400-L404 WeakPolarHBondContact O-CB 3.47Å; M400-L404 WeakPolarHBondContact O-CG 3.42Å; M400-L404 PolarHBondContact O-N 3.19Å; A401-L404 PolarHBondContact O-N 3.07Å; L404-M407 WeakPolarHBondContact O-CB 3.22Å; L404-M407 PolarHBondContact O-N 3.46Å; L404-Q408 WeakPolarHBondContact O-CB 3.43Å; L404-Q408 PolarHBondContact O-N 2.91Å; L404-L425 HydrophobicContact CD2-CD1 4.21Å; L404-L430 HydrophobicContact CD2-CD1 3.87Å; L404-L430 HydrophobicContact CD2-CD2 3.74Å; L404-L430 HydrophobicContact CD2-CG 4.5Å; L404-L430 HydrophobicContact CG-CD1 4.35Å
405	H	95.4	Very high	94.6	Very high	21 Å²	21	35.1 Å²	35.1	10%	0.097	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-44.8	176.6	-173.4	75.9	0	0	0	112	Y84 L85 L86 A401 A403 M407 Q408 R409	Y84-H405 PolarHBondContact O-CE1 3.13Å; Y84-H405 VanDerWaalsContact O-CE1 3.24Å; L85-H405 HydrophobicContact CD1-CB 3.78Å; L86-H405 HydrophobicContact CD2-CB 3.93Å; L86-H405 HydrophobicContact CG-CB 4.1Å; L86-H405 PolarHBondContact N-ND1 3.43Å; A401-H405 VanDerWaalsContact O-CB 3.29Å; A401-H405 WeakPolarHBondContact O-CB 3.19Å; A401-H405 PolarHBondContact O-N 3.19Å; A403-H405 PolarHBondContact O-N 2.96Å; H405-M407 VanDerWaalsContact C-N 3.28Å; H405-M407 PolarHBondContact O-N 3.01Å; H405-Q408 WeakPolarHBondContact O-CB 3.42Å; H405-Q408 PolarHBondContact O-N 3.33Å; H405-R409 PolarHBondContact CE1-NE 3.25Å; H405-R409 PolarHBondContact NE2-NE 2.87Å; H405-R409 WeakPolarHBondContact O-CG 3.43Å; H405-R409 PolarHBondContact O-N 3.23Å
406	K	95.4	Very high	94.1	Very high	91 Å²	91	38.1 Å²	38.1	40%	0.396	20%	0.201	S	C	.	.	H	α-helix	trans	-62.6	-38	176.6	-163.3	-179.9	-176.4	-175.1	0	111	H402 A403 T410 Y434 K437	H402-K406 WeakPolarHBondContact O-CB 3.38Å; H402-K406 PolarHBondContact O-N 2.58Å; A403-K406 PolarHBondContact O-N 3.46Å; K406-T410 WeakPolarHBondContact O-CB 3.4Å; K406-T410 PolarHBondContact O-N 2.88Å; K406-T410 PolarHBondContact O-OG1 3.32Å; K406-Y434 HydrophobicContact CB-CD1 3.95Å; K406-Y434 HydrophobicContact CD-CD1 4.13Å; K406-Y434 HydrophobicContact CG-CD1 3.86Å; K406-Y434 HydrophobicContact CG-CE1 4.42Å; K406-K437 PolarHBondContact NZ-O 3.42Å
407	M	94.6	Very high	93.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-46.9	171.9	-173.3	167.4	176.7	0	0	111.7	A403 L404 H405 T410 L411 M422 L425 L430 Y434	A403-M407 WeakPolarHBondContact O-CB 3.48Å; A403-M407 PolarHBondContact O-N 3.26Å; L404-M407 WeakPolarHBondContact O-CB 3.22Å; L404-M407 PolarHBondContact O-N 3.46Å; H405-M407 VanDerWaalsContact C-N 3.28Å; H405-M407 PolarHBondContact O-N 3.01Å; M407-T410 PolarHBondContact O-N 2.92Å; M407-T410 VanDerWaalsContact O-N 3.15Å; M407-L411 HydrophobicContact CE-CD1 3.62Å; M407-L411 HydrophobicContact CG-CD1 3.64Å; M407-L411 HydrophobicContact CG-CG 4.26Å; M407-L411 WeakPolarHBondContact O-CB 3.49Å; M407-L411 WeakPolarHBondContact O-CG 3.3Å; M407-L411 PolarHBondContact O-N 3.15Å; M407-L411 HydrophobicContact SD-CD1 4.48Å; M407-M422 HydrophobicContact CB-CE 4.37Å; M407-M422 HydrophobicContact CG-CE 4.11Å; M407-M422 HydrophobicContact CG-SD 4.42Å; M407-M422 HydrophobicContact SD-CE 4.49Å; M407-L425 HydrophobicContact CE-CD2 3.71Å; M407-L425 HydrophobicContact SD-CD2 4.09Å; M407-L430 HydrophobicContact SD-CB 4Å; M407-L430 HydrophobicContact SD-CD1 3.92Å; M407-L430 HydrophobicContact SD-CG 4.45Å; M407-Y434 HydrophobicContact CB-CD1 4.15Å; M407-Y434 HydrophobicContact CB-CD2 3.77Å; M407-Y434 HydrophobicContact CB-CE1 4.18Å; M407-Y434 HydrophobicContact CB-CE2 3.77Å; M407-Y434 HydrophobicContact CB-CG 3.94Å; M407-Y434 HydrophobicContact CG-CD2 3.95Å; M407-Y434 HydrophobicContact CG-CE2 3.59Å; M407-Y434 HydrophobicContact SD-CD2 4.07Å; M407-Y434 HydrophobicContact SD-CE2 4.04Å
408	Q	93.4	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-50.5	176.7	-169.2	-162.3	12.7	0	0	112.5	V89 L404 H405 T410 L411 C412 T416 K417 M422	V89-Q408 VanDerWaalsContact CG2-NE2 3.34Å; L404-Q408 WeakPolarHBondContact O-CB 3.43Å; L404-Q408 PolarHBondContact O-N 2.91Å; H405-Q408 WeakPolarHBondContact O-CB 3.42Å; H405-Q408 PolarHBondContact O-N 3.33Å; Q408-T410 PolarHBondContact O-N 3.47Å; Q408-L411 PolarHBondContact O-N 3.45Å; Q408-C412 HydrophobicContact CG-CB 4.33Å; Q408-C412 CarbonylContact O-C 3.56Å; Q408-C412 WeakPolarHBondContact O-CA 3.47Å; Q408-C412 WeakPolarHBondContact O-CB 3.39Å; Q408-C412 PolarHBondContact O-N 3.43Å; Q408-T416 VanDerWaalsContact NE2-C 3.29Å; Q408-T416 PolarHBondContact NE2-O 2.9Å; Q408-K417 PolarHBondContact NE2-O 2.91Å; Q408-M422 WeakPolarHBondContact CA-SD 3.47Å; Q408-M422 HydrophobicContact CB-CE 4.3Å; Q408-M422 HydrophobicContact CB-SD 3.82Å; Q408-M422 HydrophobicContact CG-SD 4.13Å
409	R	93.1	Very high	92.7	Very high	105 Å²	105	47.2 Å²	47.2	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-24.6	177.9	-63.3	-55.8	-168.3	-172.1	4.4	113	H405	H405-R409 PolarHBondContact CE1-NE 3.25Å; H405-R409 PolarHBondContact NE2-NE 2.87Å; H405-R409 WeakPolarHBondContact O-CG 3.43Å; H405-R409 PolarHBondContact O-N 3.23Å
410	T	93.3	Very high	92.1	Very high	82 Å²	82	52.7 Å²	52.7	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-86	-38.1	178.3	-53	0	0	0	0	113	K406 M407 Q408 Y434	K406-T410 WeakPolarHBondContact O-CB 3.4Å; K406-T410 PolarHBondContact O-N 2.88Å; K406-T410 PolarHBondContact O-OG1 3.32Å; M407-T410 PolarHBondContact O-N 2.92Å; M407-T410 VanDerWaalsContact O-N 3.15Å; Q408-T410 PolarHBondContact O-N 3.47Å; T410-Y434 WeakPolarHBondContact CB-OH 3.19Å; T410-Y434 HydrophobicContact CG2-CE1 4.41Å; T410-Y434 WeakPolarHBondContact CG2-OH 3.12Å
411	L	91.7	Very high	91.4	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-96.1	-28	-174.8	-60.4	-178.2	0	0	0	113.7	M407 Q408 P413 C419 M422	M407-L411 HydrophobicContact CE-CD1 3.62Å; M407-L411 HydrophobicContact CG-CD1 3.64Å; M407-L411 HydrophobicContact CG-CG 4.26Å; M407-L411 WeakPolarHBondContact O-CB 3.49Å; M407-L411 WeakPolarHBondContact O-CG 3.3Å; M407-L411 PolarHBondContact O-N 3.15Å; M407-L411 HydrophobicContact SD-CD1 4.48Å; Q408-L411 PolarHBondContact O-N 3.45Å; L411-P413 WeakPolarHBondContact O-CD 3.46Å; L411-C419 PolarHBondContact O-SG 3.12Å; L411-M422 HydrophobicContact CB-CG 4.43Å; L411-M422 HydrophobicContact CD1-CG 4.03Å
412	C	91.9	Very high	90.9	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.027	30%	0.3	C	S	.	.			trans	-122.8	49.5	-175.5	-50.4	0	0	0	0	112	Q408 N414 T415 C419	Q408-C412 HydrophobicContact CG-CB 4.33Å; Q408-C412 CarbonylContact O-C 3.56Å; Q408-C412 WeakPolarHBondContact O-CA 3.47Å; Q408-C412 WeakPolarHBondContact O-CB 3.39Å; Q408-C412 PolarHBondContact O-N 3.43Å; C412-N414 PolarHBondContact O-N 3.47Å; C412-T415 HydrophobicContact CB-CG2 3.75Å; C412-T415 PolarHBondContact O-N 2.82Å; C412-T415 VanDerWaalsContact O-N 3.15Å; C412-T415 VanDerWaalsContact O-O 3.14Å; C412-C419 VanDerWaalsContact CA-SG 3.52Å; C412-C419 HydrophobicContact CB-CB 3.76Å; C412-C419 WeakPolarHBondContact CB-SG 3.31Å; C412-C419 WeakPolarHBondContact SG-CB 3.45Å; C412-C419 PolarHBondContact SG-N 3.38Å; C412-C419 CovalentContact SG-SG 2.04Å; C412-C419 PolarHBondContact SG-SG 3.05Å
413	P	88.4	Confident	89.9	Confident	92 Å²	92	59.7 Å²	59.7	60%	0.597	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.3	-167.8	25.6	-36.4	0	0	0	114.6	L411	L411-P413 WeakPolarHBondContact O-CD 3.46Å
414	N	87.9	Confident	89	Confident	163 Å²	163	65.5 Å²	65.5	87%	0.872	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	9.2	-176.2	-62.5	-7.8	0	0	0	113.7	C412	C412-N414 PolarHBondContact O-N 3.47Å
415	T	88.1	Confident	88.5	Confident	53 Å²	53	67 Å²	67	33%	0.325	35%	0.354	S	S	.	.			trans	-148.5	154.3	-177.1	-176.9	0	0	0	0	113.1	C412 K417 C419	C412-T415 HydrophobicContact CB-CG2 3.75Å; C412-T415 PolarHBondContact O-N 2.82Å; C412-T415 VanDerWaalsContact O-N 3.15Å; C412-T415 VanDerWaalsContact O-O 3.14Å; T415-K417 PolarHBondContact OG1-N 3.38Å; T415-C419 HydrophobicContact CG2-CB 4.39Å
416	T	85.7	Confident	88.1	Confident	73 Å²	73	69.5 Å²	69.5	45%	0.448	37%	0.368	S	S	.	.	S	Bend	trans	-90.9	-12	169.4	40.8	0	0	0	0	112.9	P87 G88 Q408	P87-T416 CarbonylContact O-C 3.46Å; P87-T416 VanDerWaalsContact O-CB 3.27Å; P87-T416 WeakPolarHBondContact O-CB 3.12Å; G88-T416 CarbonylContact C-O 3.59Å; Q408-T416 VanDerWaalsContact NE2-C 3.29Å; Q408-T416 PolarHBondContact NE2-O 2.9Å
417	K	87.9	Confident	87.9	Confident	140 Å²	140	65.5 Å²	65.5	61%	0.609	35%	0.353	S	S	*	.	S	Bend	trans	-91.5	178.4	175.6	-60.4	-166.5	175.2	-169.1	0	111.4	Q408 T415	Q408-K417 PolarHBondContact NE2-O 2.91Å; T415-K417 PolarHBondContact OG1-N 3.38Å
418	L	87.8	Confident	87.8	Confident	39 Å²	39	70.3 Å²	70.3	20%	0.204	37%	0.374	C	S	.	.			trans	-69.2	138.5	164.9	-61.1	-177.1	0	0	0	110.3	D38 L39 V89 M422	D38-L418 HydrophobicContact CB-CD1 3.83Å; D38-L418 HydrophobicContact CB-CG 4.32Å; D38-L418 WeakPolarHBondContact O-CD1 3.33Å; L39-L418 HydrophobicContact CD1-CD2 4.13Å; L39-L418 HydrophobicContact CD2-CD1 3.7Å; L39-L418 HydrophobicContact CD2-CD2 4.34Å; L39-L418 HydrophobicContact CG-CD1 3.94Å; L39-L418 HydrophobicContact CG-CD2 4.2Å; V89-L418 HydrophobicContact CG1-CD2 3.88Å; V89-L418 HydrophobicContact CG1-CG 4.15Å; V89-L418 HydrophobicContact CG2-CD2 3.84Å; V89-L418 HydrophobicContact CG2-CG 4.01Å; L418-M422 HydrophobicContact CD2-CB 4.2Å; L418-M422 HydrophobicContact CD2-CE 4.22Å; L418-M422 HydrophobicContact CD2-SD 4.3Å
419	C	88.1	Confident	87.8	Confident	28 Å²	28	73.7 Å²	73.7	19%	0.189	39%	0.389	C	S	.	.			trans	-100.4	167.3	166.5	67.6	0	0	0	0	110.4	L411 C412 T415 A421 M422 K423	L411-C419 PolarHBondContact O-SG 3.12Å; C412-C419 VanDerWaalsContact CA-SG 3.52Å; C412-C419 HydrophobicContact CB-CB 3.76Å; C412-C419 WeakPolarHBondContact CB-SG 3.31Å; C412-C419 WeakPolarHBondContact SG-CB 3.45Å; C412-C419 PolarHBondContact SG-N 3.38Å; C412-C419 CovalentContact SG-SG 2.04Å; C412-C419 PolarHBondContact SG-SG 3.05Å; T415-C419 HydrophobicContact CG2-CB 4.39Å; C419-A421 PolarHBondContact O-N 3.46Å; C419-A421 VanDerWaalsContact O-N 3.12Å; C419-M422 PolarHBondContact O-N 3.4Å; C419-K423 PolarHBondContact O-N 3.24Å
420	D	85.1	Confident	88	Confident	116 Å²	116	68.7 Å²	68.7	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-57.3	-32	-175.1	-58.9	-72.4	0	0	0	113.6	M422 K423	D420-M422 PolarHBondContact O-N 3.19Å; D420-K423 PolarHBondContact O-N 3.43Å; D420-K423 WeakPolarHBondContact OD1-CD 3.33Å; D420-K423 WeakPolarHBondContact OD1-CE 3.46Å; D420-K423 IonicContact OD1-NZ 3.89Å; D420-K423 PolarHBondContact OD1-NZ 2.79Å
421	A	84.4	Confident	88.1	Confident	63 Å²	63	65 Å²	65	52%	0.521	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-2.3	173.8	0	0	0	0	0	115.1	C419	C419-A421 PolarHBondContact O-N 3.46Å; C419-A421 VanDerWaalsContact O-N 3.12Å
422	M	85.5	Confident	88.2	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-121.8	-2.6	170.6	-71	-170.8	72.2	0	0	114.1	L39 M407 Q408 L411 L418 C419 D420 I424 L425	L39-M422 HydrophobicContact CD1-CE 4.43Å; M407-M422 HydrophobicContact CB-CE 4.37Å; M407-M422 HydrophobicContact CG-CE 4.11Å; M407-M422 HydrophobicContact CG-SD 4.42Å; M407-M422 HydrophobicContact SD-CE 4.49Å; Q408-M422 WeakPolarHBondContact CA-SD 3.47Å; Q408-M422 HydrophobicContact CB-CE 4.3Å; Q408-M422 HydrophobicContact CB-SD 3.82Å; Q408-M422 HydrophobicContact CG-SD 4.13Å; L411-M422 HydrophobicContact CB-CG 4.43Å; L411-M422 HydrophobicContact CD1-CG 4.03Å; L418-M422 HydrophobicContact CD2-CB 4.2Å; L418-M422 HydrophobicContact CD2-CE 4.22Å; L418-M422 HydrophobicContact CD2-SD 4.3Å; C419-M422 PolarHBondContact O-N 3.4Å; D420-M422 PolarHBondContact O-N 3.19Å; M422-I424 PolarHBondContact O-N 2.84Å; M422-L425 HydrophobicContact CB-CD2 4.31Å; M422-L425 HydrophobicContact CE-CD2 3.88Å; M422-L425 HydrophobicContact CG-CD2 4.41Å
423	K	77.4	Confident	88.4	Confident	132 Å²	132	70.9 Å²	70.9	57%	0.574	37%	0.373	S	S	*	.	H	α-helix	trans	-66.7	-22.2	173.2	-72.6	-179.1	178.9	168.1	0	112.8	C419 D420	C419-K423 PolarHBondContact O-N 3.24Å; D420-K423 PolarHBondContact O-N 3.43Å; D420-K423 WeakPolarHBondContact OD1-CD 3.33Å; D420-K423 WeakPolarHBondContact OD1-CE 3.46Å; D420-K423 IonicContact OD1-NZ 3.89Å; D420-K423 PolarHBondContact OD1-NZ 2.79Å
424	I	78.4	Confident	88.7	Confident	122 Å²	122	67.1 Å²	67.1	63%	0.626	35%	0.347	S	S	*	.	S	Bend	trans	-126.9	112.9	167.6	-58	177	0	0	0	106.1	M422	M422-I424 PolarHBondContact O-N 2.84Å
425	L	84	Confident	89.1	Confident	31 Å²	31	59.4 Å²	59.4	16%	0.162	31%	0.306	C	S	.	.			trans	-83.7	122.2	-177.6	-71.9	172.4	0	0	0	111.2	L39 A143 L404 M407 M422 G427	L39-L425 HydrophobicContact CD2-CD1 4.05Å; A143-L425 HydrophobicContact CB-CD1 3.33Å; L404-L425 HydrophobicContact CD2-CD1 4.21Å; M407-L425 HydrophobicContact CE-CD2 3.71Å; M407-L425 HydrophobicContact SD-CD2 4.09Å; M422-L425 HydrophobicContact CB-CD2 4.31Å; M422-L425 HydrophobicContact CE-CD2 3.88Å; M422-L425 HydrophobicContact CG-CD2 4.41Å; L425-G427 VanDerWaalsContact C-N 3.33Å; L425-G427 PolarHBondContact O-N 3.2Å
426	D	87.7	Confident	89.5	Confident	74 Å²	74	58.9 Å²	58.9	40%	0.396	30%	0.301	S	S	.	.			trans	-69.7	91.7	160.7	179.7	-16.1	0	0	0	108.5	K428 K429 L430	D426-K428 PolarHBondContact O-N 2.79Å; D426-K428 WeakPolarHBondContact OD1-CB 3.4Å; D426-K428 PolarHBondContact OD1-N 3.25Å; D426-K428 VanDerWaalsContact OD1-N 3.16Å; D426-K429 HydrophobicContact CB-CB 3.91Å; D426-K429 PolarHBondContact O-N 3.37Å; D426-K429 WeakPolarHBondContact OD1-CB 3.4Å; D426-K429 PolarHBondContact OD1-N 2.7Å; D426-K429 WeakPolarHBondContact OD2-CB 3.47Å; D426-L430 PolarHBondContact O-N 3.4Å
427	G	90.6	Very high	89.9	Confident	8 Å²	8	60.6 Å²	60.6	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-28.5	-179.2	0	0	0	0	0	113.5	Q165 L425 Y431	Q165-G427 CarbonylContact O-C 3.53Å; Q165-G427 VanDerWaalsContact O-CA 3.3Å; Q165-G427 WeakPolarHBondContact O-CA 3.38Å; L425-G427 VanDerWaalsContact C-N 3.33Å; L425-G427 PolarHBondContact O-N 3.2Å; G427-Y431 WeakPolarHBondContact O-CB 3.36Å; G427-Y431 PolarHBondContact O-N 3.15Å
428	K	93.3	Very high	90.3	Very high	103 Å²	103	54.6 Å²	54.6	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-41	173.9	167.3	-175.2	175.7	-171.2	0	111.7	Y186 D426 K432	Y186-K428 HydrophobicContact CE1-CB 3.63Å; Y186-K428 HydrophobicContact CE1-CG 3.91Å; D426-K428 PolarHBondContact O-N 2.79Å; D426-K428 WeakPolarHBondContact OD1-CB 3.4Å; D426-K428 PolarHBondContact OD1-N 3.25Å; D426-K428 VanDerWaalsContact OD1-N 3.16Å; K428-K432 WeakPolarHBondContact O-CB 3.39Å; K428-K432 WeakPolarHBondContact O-CG 3.43Å; K428-K432 PolarHBondContact O-N 3.38Å
429	K	94.3	Very high	90.6	Very high	71 Å²	71	58.3 Å²	58.3	31%	0.309	30%	0.297	S	S	.	.	H	α-helix	trans	-71.6	-42.5	173.4	-169.5	179.6	-175.3	175	0	111.8	D426 Y431 K432 D433 Y434	D426-K429 HydrophobicContact CB-CB 3.91Å; D426-K429 PolarHBondContact O-N 3.37Å; D426-K429 WeakPolarHBondContact OD1-CB 3.4Å; D426-K429 PolarHBondContact OD1-N 2.7Å; D426-K429 WeakPolarHBondContact OD2-CB 3.47Å; K429-Y431 VanDerWaalsContact C-N 3.3Å; K429-Y431 PolarHBondContact O-N 2.78Å; K429-K432 PolarHBondContact O-N 3.41Å; K429-D433 HydrophobicContact CG-CB 4.33Å; K429-D433 WeakPolarHBondContact O-CB 3.39Å; K429-D433 PolarHBondContact O-N 3.08Å; K429-Y434 HydrophobicContact CG-CE2 4.08Å
430	L	95.6	Very high	90.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-52.1	-49.8	172	177.7	53.3	0	0	0	110.8	A143 P167 M400 A403 L404 M407 D426 Y434 L435	A143-L430 WeakPolarHBondContact O-CD2 3.34Å; P167-L430 HydrophobicContact CG-CD2 3.9Å; P167-L430 HydrophobicContact CG-CG 4.23Å; M400-L430 HydrophobicContact SD-CD2 4.36Å; A403-L430 HydrophobicContact CB-CD1 4.02Å; L404-L430 HydrophobicContact CD2-CD1 3.87Å; L404-L430 HydrophobicContact CD2-CD2 3.74Å; L404-L430 HydrophobicContact CD2-CG 4.5Å; L404-L430 HydrophobicContact CG-CD1 4.35Å; M407-L430 HydrophobicContact SD-CB 4Å; M407-L430 HydrophobicContact SD-CD1 3.92Å; M407-L430 HydrophobicContact SD-CG 4.45Å; D426-L430 PolarHBondContact O-N 3.4Å; L430-Y434 PolarHBondContact O-N 3.42Å; L430-L435 WeakPolarHBondContact O-CB 3.44Å; L430-L435 PolarHBondContact O-N 3.1Å
431	Y	96	Very high	91.1	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.012	29%	0.285	C	S	.	.	I	π-helix	trans	-64.5	-58.1	178	-174.6	-99.9	0	0	0	112.9	P167 D185 Y186 F187 A188 G427 K429 L435 L436	P167-Y431 HydrophobicContact CB-CD2 4.13Å; D185-Y431 WeakPolarHBondContact O-CD1 3.27Å; D185-Y431 WeakPolarHBondContact O-CE1 3.42Å; Y186-Y431 HydrophobicContact CD1-CD1 4.02Å; Y186-Y431 HydrophobicContact CD1-CG 4.03Å; Y186-Y431 WeakPolarHBondContact O-CE2 3.21Å; F187-Y431 PolarHBondContact O-OH 3.02Å; A188-Y431 HydrophobicContact CB-CE2 4.01Å; G427-Y431 WeakPolarHBondContact O-CB 3.36Å; G427-Y431 PolarHBondContact O-N 3.15Å; K429-Y431 VanDerWaalsContact C-N 3.3Å; K429-Y431 PolarHBondContact O-N 2.78Å; Y431-L435 HydrophobicContact CD2-CD1 4.25Å; Y431-L435 HydrophobicContact CD2-CD2 4.03Å; Y431-L435 HydrophobicContact CE2-CD2 4.07Å; Y431-L435 WeakPolarHBondContact O-CB 3.35Å; Y431-L435 PolarHBondContact O-N 3.36Å; Y431-L436 HydrophobicContact CD1-CD1 4.19Å; Y431-L436 HydrophobicContact CD1-CG 4.41Å; Y431-L436 HydrophobicContact CE1-CD1 3.58Å; Y431-L436 HydrophobicContact CE1-CD2 4.38Å; Y431-L436 HydrophobicContact CE1-CG 3.95Å; Y431-L436 HydrophobicContact CE2-CD2 4.39Å; Y431-L436 HydrophobicContact CE2-CG 4.47Å; Y431-L436 PolarHBondContact O-N 2.81Å
432	K	94.7	Very high	91.2	Very high	103 Å²	103	53.6 Å²	53.6	45%	0.448	26%	0.264	S	S	.	.	I	π-helix	trans	-77.9	-34.2	-168.5	-65.3	-165.1	179.9	-163.9	0	114.4	K428 K429 K437	K428-K432 WeakPolarHBondContact O-CB 3.39Å; K428-K432 WeakPolarHBondContact O-CG 3.43Å; K428-K432 PolarHBondContact O-N 3.38Å; K429-K432 PolarHBondContact O-N 3.41Å; K432-K437 WeakPolarHBondContact O-CE 3.41Å
433	D	95.1	Very high	91.2	Very high	72 Å²	72	54.7 Å²	54.7	39%	0.385	27%	0.272	S	S	.	.	I	π-helix	trans	-99.2	-22.7	-173.9	-75.3	-41.1	0	0	0	114.9	K429 K437	K429-D433 HydrophobicContact CG-CB 4.33Å; K429-D433 WeakPolarHBondContact O-CB 3.39Å; K429-D433 PolarHBondContact O-N 3.08Å; D433-K437 WeakPolarHBondContact O-CD 3.29Å; D433-K437 IonicContact OD1-NZ 2.69Å; D433-K437 PolarHBondContact OD1-NZ 3Å
434	Y	96	Very high	91.6	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.055	26%	0.255	C	S	.	.	I	π-helix	trans	-117.6	-55.9	-177.2	-53.9	-76.2	0	0	0	112.4	K406 M407 T410 K429 L430 K437 I438	K406-Y434 HydrophobicContact CB-CD1 3.95Å; K406-Y434 HydrophobicContact CD-CD1 4.13Å; K406-Y434 HydrophobicContact CG-CD1 3.86Å; K406-Y434 HydrophobicContact CG-CE1 4.42Å; M407-Y434 HydrophobicContact CB-CD1 4.15Å; M407-Y434 HydrophobicContact CB-CD2 3.77Å; M407-Y434 HydrophobicContact CB-CE1 4.18Å; M407-Y434 HydrophobicContact CB-CE2 3.77Å; M407-Y434 HydrophobicContact CB-CG 3.94Å; M407-Y434 HydrophobicContact CG-CD2 3.95Å; M407-Y434 HydrophobicContact CG-CE2 3.59Å; M407-Y434 HydrophobicContact SD-CD2 4.07Å; M407-Y434 HydrophobicContact SD-CE2 4.04Å; T410-Y434 WeakPolarHBondContact CB-OH 3.19Å; T410-Y434 HydrophobicContact CG2-CE1 4.41Å; T410-Y434 WeakPolarHBondContact CG2-OH 3.12Å; K429-Y434 HydrophobicContact CG-CE2 4.08Å; L430-Y434 PolarHBondContact O-N 3.42Å; Y434-K437 CarbonylContact O-C 3.46Å; Y434-K437 VanDerWaalsContact O-C 3.27Å; Y434-K437 WeakPolarHBondContact O-CA 3.43Å; Y434-K437 PolarHBondContact O-N 3.34Å; Y434-I438 WeakPolarHBondContact O-CG2 3.35Å; Y434-I438 PolarHBondContact O-N 3.03Å
435	L	96.1	Very high	91.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64.6	-50	-173.8	-169.8	158.7	0	0	0	112.6	P167 I169 A188 M400 A403 L430 Y431 K437 I438 F456	P167-L435 HydrophobicContact CB-CD1 4.04Å; I169-L435 HydrophobicContact CD1-CD1 3.88Å; I169-L435 HydrophobicContact CD1-CG 4.23Å; I169-L435 HydrophobicContact CG1-CD1 4.02Å; A188-L435 HydrophobicContact CB-CD2 3.71Å; M400-L435 HydrophobicContact CE-CD1 3.96Å; M400-L435 HydrophobicContact SD-CD1 4.24Å; A403-L435 HydrophobicContact CB-CB 4.02Å; L430-L435 WeakPolarHBondContact O-CB 3.44Å; L430-L435 PolarHBondContact O-N 3.1Å; Y431-L435 HydrophobicContact CD2-CD1 4.25Å; Y431-L435 HydrophobicContact CD2-CD2 4.03Å; Y431-L435 HydrophobicContact CE2-CD2 4.07Å; Y431-L435 WeakPolarHBondContact O-CB 3.35Å; Y431-L435 PolarHBondContact O-N 3.36Å; L435-K437 PolarHBondContact O-N 2.78Å; L435-K437 VanDerWaalsContact O-N 3.13Å; L435-I438 WeakPolarHBondContact O-CG1 3.42Å; L435-I438 PolarHBondContact O-N 3.35Å; L435-F456 HydrophobicContact CD2-CD2 3.82Å; L435-F456 HydrophobicContact CD2-CE2 3.5Å; L435-F456 HydrophobicContact CG-CE2 4.23Å; L435-F456 WeakPolarHBondContact O-CD2 3.21Å
436	L	95.4	Very high	90.7	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.225	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68.4	-6.5	173.7	-69.6	-176.6	0	0	0	114	Y431 F456 G460	Y431-L436 HydrophobicContact CD1-CD1 4.19Å; Y431-L436 HydrophobicContact CD1-CG 4.41Å; Y431-L436 HydrophobicContact CE1-CD1 3.58Å; Y431-L436 HydrophobicContact CE1-CD2 4.38Å; Y431-L436 HydrophobicContact CE1-CG 3.95Å; Y431-L436 HydrophobicContact CE2-CD2 4.39Å; Y431-L436 HydrophobicContact CE2-CG 4.47Å; Y431-L436 PolarHBondContact O-N 2.81Å; L436-F456 HydrophobicContact CD2-CB 4.39Å; L436-G460 VanDerWaalsContact CD2-CA 3.48Å
437	K	95.4	Very high	89.7	Confident	109 Å²	109	51.8 Å²	51.8	47%	0.474	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-119.7	27.2	-178.1	-52.2	-174.8	-158.2	157	0	112	K406 K432 D433 Y434 L435	K406-K437 PolarHBondContact NZ-O 3.42Å; K432-K437 WeakPolarHBondContact O-CE 3.41Å; D433-K437 WeakPolarHBondContact O-CD 3.29Å; D433-K437 IonicContact OD1-NZ 2.69Å; D433-K437 PolarHBondContact OD1-NZ 3Å; Y434-K437 CarbonylContact O-C 3.46Å; Y434-K437 VanDerWaalsContact O-C 3.27Å; Y434-K437 WeakPolarHBondContact O-CA 3.43Å; Y434-K437 PolarHBondContact O-N 3.34Å; L435-K437 PolarHBondContact O-N 2.78Å; L435-K437 VanDerWaalsContact O-N 3.13Å
438	I	94.6	Very high	88.4	Confident	13 Å²	13	60 Å²	60	7%	0.067	30%	0.301	C	S	.	.			trans	-81.8	148.9	169	68.4	-171.4	0	0	0	111.1	A399 H402 A403 Y434 L435 F440 F456	A399-I438 HydrophobicContact CB-CD1 3.42Å; A399-I438 VanDerWaalsContact CB-CD1 3.42Å; H402-I438 HydrophobicContact CB-CG2 4.47Å; A403-I438 HydrophobicContact CB-CG2 4.13Å; Y434-I438 WeakPolarHBondContact O-CG2 3.35Å; Y434-I438 PolarHBondContact O-N 3.03Å; L435-I438 WeakPolarHBondContact O-CG1 3.42Å; L435-I438 PolarHBondContact O-N 3.35Å; I438-F440 HydrophobicContact CB-CD1 4.44Å; I438-F440 HydrophobicContact CD1-CD1 4.47Å; I438-F440 HydrophobicContact CD1-CE1 3.93Å; I438-F440 HydrophobicContact CG1-CD1 4.5Å; I438-F440 HydrophobicContact CG1-CE1 4.42Å; I438-F456 HydrophobicContact CD1-CD2 3.85Å; I438-F456 HydrophobicContact CD1-CE2 3.38Å; I438-F456 HydrophobicContact CD1-CZ 4Å; I438-F456 HydrophobicContact CG1-CD2 4.18Å; I438-F456 HydrophobicContact CG1-CE2 4.21Å
439	N	94.1	Very high	87.3	Confident	118 Å²	118	59.4 Å²	59.4	63%	0.631	30%	0.303	S	S	*	.			trans	-155.8	110.2	171.5	179.3	1.5	0	0	0	106.4	I453 V454	N439-I453 WeakPolarHBondContact OD1-CG2 3.26Å; N439-V454 WeakPolarHBondContact CA-O 3.35Å
440	F	92.8	Very high	85.8	Confident	19 Å²	19	59.9 Å²	59.9	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.3	-177.4	68.9	-77.9	0	0	0	111.5	A399 H402 I438 V454	A399-F440 HydrophobicContact CB-CE1 4.04Å; A399-F440 HydrophobicContact CB-CZ 4.16Å; H402-F440 AromaticContact CD2-CD1 3.74Å; H402-F440 AromaticContact CD2-CD2 3.42Å; H402-F440 VanDerWaalsContact CD2-CD2 3.42Å; H402-F440 WeakPolarHBondContact CD2-CD2 3.37Å; H402-F440 AromaticContact CD2-CE2 3.76Å; H402-F440 AromaticContact CD2-CG 3.41Å; H402-F440 VanDerWaalsContact CD2-CG 3.41Å; H402-F440 WeakPolarHBondContact CD2-CG 3.23Å; H402-F440 AromaticContact NE2-CD2 3.43Å; H402-F440 WeakPolarHBondContact NE2-CD2 3.35Å; H402-F440 AromaticContact NE2-CG 3.68Å; I438-F440 HydrophobicContact CB-CD1 4.44Å; I438-F440 HydrophobicContact CD1-CD1 4.47Å; I438-F440 HydrophobicContact CD1-CE1 3.93Å; I438-F440 HydrophobicContact CG1-CD1 4.5Å; I438-F440 HydrophobicContact CG1-CE1 4.42Å; F440-V454 HydrophobicContact CD1-CB 3.97Å; F440-V454 HydrophobicContact CD1-CG1 4.33Å; F440-V454 HydrophobicContact CD2-CB 4.43Å; F440-V454 HydrophobicContact CE1-CB 3.54Å; F440-V454 HydrophobicContact CE1-CG1 3.48Å; F440-V454 VanDerWaalsContact CE1-CG1 3.48Å; F440-V454 HydrophobicContact CE1-CG2 4.44Å; F440-V454 HydrophobicContact CE2-CB 4.05Å; F440-V454 HydrophobicContact CE2-CG1 4.46Å; F440-V454 HydrophobicContact CE2-CG2 4.11Å; F440-V454 HydrophobicContact CG-CB 4.4Å; F440-V454 HydrophobicContact CZ-CB 3.6Å; F440-V454 HydrophobicContact CZ-CG1 3.57Å; F440-V454 HydrophobicContact CZ-CG2 4.01Å; F440-V454 PolarHBondContact N-O 3.08Å; F440-V454 VanDerWaalsContact N-O 3.11Å; F440-V454 PolarHBondContact O-N 2.94Å
441	T	91	Very high	84.4	Confident	78 Å²	78	64.9 Å²	64.9	48%	0.479	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.6	171.7	-52.9	0	0	0	0	109.5	S452	T441-S452 WeakPolarHBondContact CG2-OG 3.13Å
442	A	87.8	Confident	83.5	Confident	10 Å²	10	65.1 Å²	65.1	8%	0.083	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-54.3	128.9	176.6	0	0	0	0	0	110.8	S452 V454	A442-S452 WeakPolarHBondContact CB-O 3.37Å; A442-S452 PolarHBondContact N-O 3.48Å; A442-V454 HydrophobicContact CB-CG2 3.82Å
443	P	84.4	Confident	83.3	Confident	26 Å²	26	63 Å²	63	17%	0.169	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	154.7	-179.4	30.2	-38.5	0	0	0	110.8	V394 Y398 N445	V394-P443 HydrophobicContact CG1-CG 3.8Å; Y398-P443 HydrophobicContact CD1-CB 4.25Å; Y398-P443 HydrophobicContact CD1-CG 4.11Å; Y398-P443 HydrophobicContact CD2-CB 4.43Å; Y398-P443 HydrophobicContact CD2-CG 3.75Å; Y398-P443 HydrophobicContact CE1-CB 4.04Å; Y398-P443 HydrophobicContact CE1-CG 4.31Å; Y398-P443 HydrophobicContact CE2-CB 4.21Å; Y398-P443 HydrophobicContact CE2-CG 3.95Å; Y398-P443 HydrophobicContact CG-CB 4.44Å; Y398-P443 HydrophobicContact CG-CG 3.83Å; P443-N445 PolarHBondContact O-N 2.91Å
444	F	85.6	Confident	83.1	Confident	51 Å²	51	60.2 Å²	60.2	22%	0.224	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-2.7	175.8	-46.1	-62.2	0	0	0	117.2	F74 E78 V330 Q332 V394 Y398	F74-F444 HydrophobicContact CE1-CD2 4.26Å; F74-F444 AromaticContact CE1-CE2 3.71Å; F74-F444 HydrophobicContact CE1-CE2 3.71Å; F74-F444 HydrophobicContact CE1-CZ 4.07Å; F74-F444 HydrophobicContact CZ-CE1 4.41Å; F74-F444 HydrophobicContact CZ-CE2 4.01Å; F74-F444 AromaticContact CZ-CZ 3.9Å; F74-F444 HydrophobicContact CZ-CZ 3.9Å; E78-F444 HydrophobicContact CB-CZ 4.1Å; E78-F444 HydrophobicContact CG-CZ 3.97Å; V330-F444 HydrophobicContact CG1-CB 4.01Å; V330-F444 HydrophobicContact CG1-CD2 4.02Å; V330-F444 HydrophobicContact CG1-CG 4.24Å; Q332-F444 HydrophobicContact CB-CD1 4.14Å; Q332-F444 HydrophobicContact CB-CE1 4.48Å; Q332-F444 HydrophobicContact CB-CG 4.38Å; Q332-F444 HydrophobicContact CG-CB 4.46Å; Q332-F444 HydrophobicContact CG-CD1 3.59Å; Q332-F444 HydrophobicContact CG-CE1 4.11Å; Q332-F444 HydrophobicContact CG-CG 4.16Å; V394-F444 HydrophobicContact CG1-CD2 4.21Å; V394-F444 HydrophobicContact CG1-CE2 4.06Å; Y398-F444 HydrophobicContact CE2-CE2 4.14Å
445	N	77.1	Confident	83	Confident	43 Å²	43	64.4 Å²	64.4	23%	0.23	35%	0.346	C	S	.	.			trans	-66.8	123.8	174.1	-171.8	-14.4	0	0	0	110.6	P443 N447 S452	P443-N445 PolarHBondContact O-N 2.91Å; N445-N447 VanDerWaalsContact C-N 3.31Å; N445-N447 VanDerWaalsContact CG-O 3.29Å; N445-N447 PolarHBondContact ND2-O 2.68Å; N445-N447 PolarHBondContact O-N 2.9Å; N445-N447 PolarHBondContact OD1-N 3.22Å; N445-N447 PolarHBondContact OD1-O 3.12Å; N445-S452 VanDerWaalsContact ND2-CB 3.31Å; N445-S452 WeakPolarHBondContact ND2-CB 3.38Å
446	P	66.6	Low	83	Confident	109 Å²	109	65.3 Å²	65.3	71%	0.708	35%	0.35	S	S	*	.	S	Bend	trans	-66.5	-31.7	177.2	27	-35.6	0	0	0	113.1
447	N	66.3	Low	82.9	Confident	95 Å²	95	66.1 Å²	66.1	51%	0.508	35%	0.354	S	S	.	.			trans	-102.6	107.3	-177.3	-64	13.6	0	0	0	109.2	N445 D449	N445-N447 VanDerWaalsContact C-N 3.31Å; N445-N447 VanDerWaalsContact CG-O 3.29Å; N445-N447 PolarHBondContact ND2-O 2.68Å; N445-N447 PolarHBondContact O-N 2.9Å; N445-N447 PolarHBondContact OD1-N 3.22Å; N445-N447 PolarHBondContact OD1-O 3.12Å; N447-D449 WeakPolarHBondContact CB-OD2 3.49Å; N447-D449 PolarHBondContact O-N 3.29Å
448	K	65.1	Low	82.7	Confident	179 Å²	179	66.4 Å²	66.4	78%	0.778	37%	0.365	S	S	*	.			trans	-79.9	41.5	-179.2	-63.5	-172.2	178.6	-175.9	0	112.9
449	D	69.6	Low	82.7	Confident	91 Å²	91	70.9 Å²	70.9	49%	0.487	39%	0.385	S	S	.	.			trans	-72.4	161.6	-178.8	-57.3	-32	0	0	0	110.7	N447 D451 S452	N447-D449 WeakPolarHBondContact CB-OD2 3.49Å; N447-D449 PolarHBondContact O-N 3.29Å; D449-D451 PolarHBondContact O-N 2.73Å; D449-S452 WeakPolarHBondContact O-CB 3.34Å; D449-S452 PolarHBondContact O-N 2.94Å; D449-S452 PolarHBondContact O-OG 3.41Å
450	A	61.6	Low	82.7	Confident	81 Å²	81	65.3 Å²	65.3	67%	0.669	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-56.8	-24.1	176.2	0	0	0	0	0	113	S452 I453	A450-S452 PolarHBondContact O-N 3Å; A450-I453 WeakPolarHBondContact O-CD1 3.35Å; A450-I453 WeakPolarHBondContact O-CG1 3.15Å; A450-I453 PolarHBondContact O-N 3.08Å
451	D	66.8	Low	82.9	Confident	106 Å²	106	64.6 Å²	64.6	57%	0.567	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-71.9	-9.4	176.7	-71.8	-29.3	0	0	0	114.9	D449 R465	D449-D451 PolarHBondContact O-N 2.73Å; D451-R465 VanDerWaalsContact CA-NH1 3.33Å; D451-R465 VanDerWaalsContact CB-NH1 3.27Å; D451-R465 PolarHBondContact O-NH1 2.63Å; D451-R465 IonicContact OD1-CZ 3.83Å; D451-R465 IonicContact OD1-NH1 2.96Å; D451-R465 PolarHBondContact OD1-NH1 3.49Å; D451-R465 IonicContact OD1-NH2 3.24Å; D451-R465 PolarHBondContact OD1-NH2 2.92Å
452	S	77.9	Confident	83	Confident	8 Å²	8	61.2 Å²	61.2	6%	0.056	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-85.7	-0.8	176.6	69	0	0	0	0	114.3	T441 A442 N445 D449 A450 V454	T441-S452 WeakPolarHBondContact CG2-OG 3.13Å; A442-S452 WeakPolarHBondContact CB-O 3.37Å; A442-S452 PolarHBondContact N-O 3.48Å; N445-S452 VanDerWaalsContact ND2-CB 3.31Å; N445-S452 WeakPolarHBondContact ND2-CB 3.38Å; D449-S452 WeakPolarHBondContact O-CB 3.34Å; D449-S452 PolarHBondContact O-N 2.94Å; D449-S452 PolarHBondContact O-OG 3.41Å; A450-S452 PolarHBondContact O-N 3Å; S452-V454 PolarHBondContact O-N 3.25Å
453	I	89.1	Confident	83.1	Confident	58 Å²	58	64.1 Å²	64.1	30%	0.297	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.7	-173.3	-65.4	171.2	0	0	0	111.8	N439 A450 K455 M463	N439-I453 WeakPolarHBondContact OD1-CG2 3.26Å; A450-I453 WeakPolarHBondContact O-CD1 3.35Å; A450-I453 WeakPolarHBondContact O-CG1 3.15Å; A450-I453 PolarHBondContact O-N 3.08Å; I453-K455 HydrophobicContact CG2-CD 4.49Å; I453-K455 HydrophobicContact CG2-CG 4.41Å; I453-M463 WeakPolarHBondContact O-CE 3.41Å
454	V	92.3	Very high	83.4	Confident	14 Å²	14	63.5 Å²	63.5	9%	0.085	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.9	169.4	-173.3	0	0	0	0	109.5	N395 N439 F440 A442 S452	N395-V454 HydrophobicContact CB-CG1 4.47Å; N395-V454 HydrophobicContact CB-CG2 4.26Å; N439-V454 WeakPolarHBondContact CA-O 3.35Å; F440-V454 HydrophobicContact CD1-CB 3.97Å; F440-V454 HydrophobicContact CD1-CG1 4.33Å; F440-V454 HydrophobicContact CD2-CB 4.43Å; F440-V454 HydrophobicContact CE1-CB 3.54Å; F440-V454 HydrophobicContact CE1-CG1 3.48Å; F440-V454 VanDerWaalsContact CE1-CG1 3.48Å; F440-V454 HydrophobicContact CE1-CG2 4.44Å; F440-V454 HydrophobicContact CE2-CB 4.05Å; F440-V454 HydrophobicContact CE2-CG1 4.46Å; F440-V454 HydrophobicContact CE2-CG2 4.11Å; F440-V454 HydrophobicContact CG-CB 4.4Å; F440-V454 HydrophobicContact CZ-CB 3.6Å; F440-V454 HydrophobicContact CZ-CG1 3.57Å; F440-V454 HydrophobicContact CZ-CG2 4.01Å; F440-V454 PolarHBondContact N-O 3.08Å; F440-V454 VanDerWaalsContact N-O 3.11Å; F440-V454 PolarHBondContact O-N 2.94Å; A442-V454 HydrophobicContact CB-CG2 3.82Å; S452-V454 PolarHBondContact O-N 3.25Å
455	K	93.8	Very high	83.7	Confident	102 Å²	102	64.7 Å²	64.7	44%	0.443	35%	0.347	S	S	.	.			trans	-151.3	160.8	175.2	60.7	176.9	179.6	176.4	0	108.7	I453 M463	I453-K455 HydrophobicContact CG2-CD 4.49Å; I453-K455 HydrophobicContact CG2-CG 4.41Å; K455-M463 WeakPolarHBondContact CE-SD 3.41Å; K455-M463 HydrophobicContact CG-SD 4.45Å
456	F	95.4	Very high	84.6	Confident	18 Å²	18	62.7 Å²	62.7	8%	0.079	34%	0.336	C	S	.	.			trans	-107.1	160.3	167.7	-55.8	-52.5	0	0	0	110.7	I169 A188 R189 T190 A399 L435 L436 I438 D461	I169-F456 HydrophobicContact CD1-CZ 4.42Å; I169-F456 HydrophobicContact CG2-CZ 4.17Å; A188-F456 HydrophobicContact CB-CD2 4.41Å; A188-F456 HydrophobicContact CB-CE2 4.25Å; A188-F456 HydrophobicContact CB-CZ 4.37Å; R189-F456 WeakPolarHBondContact O-CD1 3.5Å; R189-F456 WeakPolarHBondContact O-CE1 3.41Å; T190-F456 HydrophobicContact CG2-CE1 4.06Å; T190-F456 HydrophobicContact CG2-CZ 4.29Å; A399-F456 HydrophobicContact CB-CE2 4.39Å; A399-F456 HydrophobicContact CB-CZ 4.08Å; L435-F456 HydrophobicContact CD2-CD2 3.82Å; L435-F456 HydrophobicContact CD2-CE2 3.5Å; L435-F456 HydrophobicContact CG-CE2 4.23Å; L435-F456 WeakPolarHBondContact O-CD2 3.21Å; L436-F456 HydrophobicContact CD2-CB 4.39Å; I438-F456 HydrophobicContact CD1-CD2 3.85Å; I438-F456 HydrophobicContact CD1-CE2 3.38Å; I438-F456 HydrophobicContact CD1-CZ 4Å; I438-F456 HydrophobicContact CG1-CD2 4.18Å; I438-F456 HydrophobicContact CG1-CE2 4.21Å; F456-D461 WeakPolarHBondContact CA-O 3.41Å
457	D	93.1	Very high	85.9	Confident	61 Å²	61	58.2 Å²	58.2	33%	0.326	31%	0.306	S	S	.	.			trans	-87.2	-171	168.6	79.1	-10.4	0	0	0	112.4	F459 G460 D461	D457-F459 PolarHBondContact O-N 2.95Å; D457-F459 VanDerWaalsContact OD1-CA 3.24Å; D457-F459 WeakPolarHBondContact OD1-CA 3.42Å; D457-F459 WeakPolarHBondContact OD1-CB 3.29Å; D457-F459 PolarHBondContact OD1-N 2.94Å; D457-G460 PolarHBondContact O-N 2.98Å; D457-G460 VanDerWaalsContact O-N 3.11Å; D457-G460 PolarHBondContact OD1-N 2.79Å; D457-D461 PolarHBondContact N-O 3.1Å; D457-D461 VanDerWaalsContact N-O 3.1Å; D457-D461 PolarHBondContact OD1-N 2.95Å
458	T	92	Very high	87.4	Confident	114 Å²	114	53.7 Å²	53.7	70%	0.699	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.6	176.4	46.5	0	0	0	0	114.2
459	F	94.7	Very high	88.8	Confident	108 Å²	108	46.6 Å²	46.6	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	14.8	177.5	-51.8	-75.5	0	0	0	112	K181 D457 D461	K181-F459 WeakPolarHBondContact CE-O 3.22Å; K181-F459 PolarHBondContact NZ-O 2.91Å; D457-F459 PolarHBondContact O-N 2.95Å; D457-F459 VanDerWaalsContact OD1-CA 3.24Å; D457-F459 WeakPolarHBondContact OD1-CA 3.42Å; D457-F459 WeakPolarHBondContact OD1-CB 3.29Å; D457-F459 PolarHBondContact OD1-N 2.94Å; F459-D461 PolarHBondContact O-N 3.03Å
460	G	94.8	Very high	90.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	68.4	15.6	178.3	0	0	0	0	0	114.1	A188 R189 L436 D457	A188-G460 CarbonylContact C-O 3.52Å; A188-G460 VanDerWaalsContact CA-O 3.23Å; A188-G460 WeakPolarHBondContact CA-O 3.46Å; A188-G460 WeakPolarHBondContact CB-O 3.49Å; R189-G460 PolarHBondContact N-O 2.87Å; L436-G460 VanDerWaalsContact CD2-CA 3.48Å; D457-G460 PolarHBondContact O-N 2.98Å; D457-G460 VanDerWaalsContact O-N 3.11Å; D457-G460 PolarHBondContact OD1-N 2.79Å
461	D	96.3	Very high	91.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-96.4	151	-173.3	-73.2	-16	0	0	0	112.3	S179 R189 F456 D457 F459	S179-D461 PolarHBondContact OG-OD2 2.94Å; R189-D461 IonicContact CZ-OD1 3.8Å; R189-D461 VanDerWaalsContact CZ-OD1 3.24Å; R189-D461 IonicContact CZ-OD2 2.71Å; R189-D461 IonicContact NE-OD1 3.3Å; R189-D461 PolarHBondContact NE-OD1 3.38Å; R189-D461 IonicContact NE-OD2 2.64Å; R189-D461 IonicContact NH2-OD1 2.69Å; R189-D461 PolarHBondContact NH2-OD1 3.32Å; R189-D461 IonicContact NH2-OD2 2.7Å; R189-D461 PolarHBondContact NH2-OD2 3.27Å; F456-D461 WeakPolarHBondContact CA-O 3.41Å; D457-D461 PolarHBondContact N-O 3.1Å; D457-D461 VanDerWaalsContact N-O 3.1Å; D457-D461 PolarHBondContact OD1-N 2.95Å; F459-D461 PolarHBondContact O-N 3.03Å
462	G	93	Very high	93	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-80	162.9	175	0	0	0	0	0	113.2	R189 V191 P192	R189-G462 PolarHBondContact O-N 3.49Å; V191-G462 PolarHBondContact O-N 2.66Å; P192-G462 WeakPolarHBondContact CA-O 3.47Å; P192-G462 WeakPolarHBondContact CB-O 3.19Å
463	M	90.3	Very high	93.6	Very high	71 Å²	71	36 Å²	36	35%	0.35	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-68.7	133.3	-177.7	-64	-171.3	-67	0	0	112.9	I453 K455 R465	I453-M463 WeakPolarHBondContact O-CE 3.41Å; K455-M463 WeakPolarHBondContact CE-SD 3.41Å; K455-M463 HydrophobicContact CG-SD 4.45Å; M463-R465 PolarHBondContact O-N 2.68Å; M463-R465 VanDerWaalsContact O-N 3.11Å
464	G	89.5	Confident	93.4	Very high	14 Å²	14	37 Å²	37	14%	0.144	19%	0.191	C	C	.	.			trans	-70.7	96.8	179.5	0	0	0	0	0	113.5	W486	G464-W486 WeakPolarHBondContact O-CZ3 3.24Å
465	R	92.4	Very high	92.8	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.283	23%	0.232	S	C	.	.			trans	-144.5	131.3	-179.8	-64.1	178.7	170.8	-159.6	-17	111.4	A326 D451 M463 W486 A487	A326-R465 HydrophobicContact CB-CB 3.7Å; A326-R465 WeakPolarHBondContact CB-O 3.17Å; A326-R465 PolarHBondContact N-O 3.49Å; D451-R465 VanDerWaalsContact CA-NH1 3.33Å; D451-R465 VanDerWaalsContact CB-NH1 3.27Å; D451-R465 PolarHBondContact O-NH1 2.63Å; D451-R465 IonicContact OD1-CZ 3.83Å; D451-R465 IonicContact OD1-NH1 2.96Å; D451-R465 PolarHBondContact OD1-NH1 3.49Å; D451-R465 IonicContact OD1-NH2 3.24Å; D451-R465 PolarHBondContact OD1-NH2 2.92Å; M463-R465 PolarHBondContact O-N 2.68Å; M463-R465 VanDerWaalsContact O-N 3.11Å; R465-W486 WeakPolarHBondContact CA-O 3.13Å; R465-A487 HydrophobicContact CG-CB 4.3Å
466	Y	95.2	Very high	92.3	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.8	-177.9	-57.8	-92.6	0	0	0	111.9	P192 Q197 E324 L325 H485 W486	P192-Y466 WeakPolarHBondContact CG-OH 3.47Å; Q197-Y466 HydrophobicContact CB-CE1 3.88Å; Q197-Y466 HydrophobicContact CB-CE2 4.34Å; Q197-Y466 HydrophobicContact CG-CE1 3.97Å; Q197-Y466 PolarHBondContact N-OH 3.29Å; E324-Y466 CarbonylContact O-C 3.59Å; E324-Y466 WeakPolarHBondContact O-CA 3.15Å; E324-Y466 WeakPolarHBondContact O-CB 3.48Å; L325-Y466 HydrophobicContact CD2-CD1 4.02Å; L325-Y466 HydrophobicContact CD2-CE1 3.51Å; Y466-H485 CarbonylContact O-C 3.6Å; Y466-H485 VanDerWaalsContact O-CA 3.3Å; Y466-H485 WeakPolarHBondContact O-CA 3.5Å; Y466-W486 AromaticContact CD2-CE3 3.94Å; Y466-W486 HydrophobicContact CD2-CE3 3.94Å; Y466-W486 HydrophobicContact CE2-CE3 4.39Å; Y466-W486 PolarHBondContact N-O 2.62Å; Y466-W486 PolarHBondContact O-N 3.18Å
467	N	95	Very high	91.9	Very high	15 Å²	15	43.8 Å²	43.8	8%	0.08	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.9	159.7	-69.6	-43.9	0	0	0	108.5	E324 F469 K482	E324-N467 PolarHBondContact N-O 2.89Å; E324-N467 PolarHBondContact O-N 3.18Å; N467-F469 HydrophobicContact CB-CD2 4.13Å; N467-F469 HydrophobicContact CB-CE2 3.52Å; N467-F469 HydrophobicContact CB-CZ 4.18Å; N467-K482 HydrophobicContact CB-CD 4.37Å; N467-K482 VanDerWaalsContact OD1-CE 3.26Å; N467-K482 WeakPolarHBondContact OD1-CE 3.24Å; N467-K482 PolarHBondContact OD1-NZ 3.12Å
468	V	96.9	Very high	91.8	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.5	171.2	-173.5	0	0	0	0	108.4	I204 I321 K482 V483 G484 L490 L492	I204-V468 HydrophobicContact CD1-CG1 4.19Å; I204-V468 HydrophobicContact CD1-CG2 4.13Å; I321-V468 HydrophobicContact CG2-CG1 3.6Å; V468-K482 WeakPolarHBondContact O-CA 3.37Å; V468-V483 HydrophobicContact CG1-CG2 4.07Å; V468-V483 PolarHBondContact O-N 3.5Å; V468-G484 PolarHBondContact N-O 3.4Å; V468-G484 PolarHBondContact O-N 3.07Å; V468-L490 HydrophobicContact CG2-CD1 4.37Å; V468-L492 HydrophobicContact CB-CD2 4Å; V468-L492 HydrophobicContact CG1-CD2 3.86Å; V468-L492 HydrophobicContact CG2-CD2 4.11Å
469	F	96.1	Very high	91.7	Very high	30 Å²	30	39.7 Å²	39.7	13%	0.132	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	151.4	178.1	-69.3	-91.5	0	0	0	110.9	A305 I321 T322 E324 N467 Y480 L481 K482	A305-F469 HydrophobicContact CB-CD1 4.32Å; A305-F469 HydrophobicContact CB-CD2 4.23Å; A305-F469 HydrophobicContact CB-CE1 4.36Å; A305-F469 HydrophobicContact CB-CE2 4.25Å; A305-F469 HydrophobicContact CB-CG 4.26Å; A305-F469 HydrophobicContact CB-CZ 4.32Å; I321-F469 CarbonylContact C-O 3.6Å; I321-F469 WeakPolarHBondContact CA-O 3.41Å; T322-F469 PolarHBondContact N-O 3.3Å; T322-F469 PolarHBondContact O-N 3.14Å; E324-F469 HydrophobicContact CB-CD2 4.23Å; E324-F469 HydrophobicContact CB-CE2 4Å; N467-F469 HydrophobicContact CB-CD2 4.13Å; N467-F469 HydrophobicContact CB-CE2 3.52Å; N467-F469 HydrophobicContact CB-CZ 4.18Å; F469-Y480 HydrophobicContact CB-CD1 4.26Å; F469-L481 CarbonylContact C-O 3.58Å; F469-L481 VanDerWaalsContact CA-O 3.27Å; F469-L481 WeakPolarHBondContact CA-O 3.44Å; F469-K482 HydrophobicContact CD1-CB 4.09Å; F469-K482 HydrophobicContact CE1-CB 3.86Å; F469-K482 HydrophobicContact CZ-CB 4.42Å
470	N	96.6	Very high	91.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.4	167.3	174.9	-122.6	0	0	0	108.9	G319 A320 Q472 L481 V483 H498	G319-N470 PolarHBondContact O-ND2 2.89Å; A320-N470 VanDerWaalsContact O-CA 3.28Å; A320-N470 WeakPolarHBondContact O-CA 3.5Å; A320-N470 PolarHBondContact O-ND2 3.21Å; N470-Q472 VanDerWaalsContact OD1-CG 3.28Å; N470-Q472 WeakPolarHBondContact OD1-CG 3.35Å; N470-Q472 PolarHBondContact OD1-NE2 2.92Å; N470-L481 PolarHBondContact N-O 3.23Å; N470-L481 PolarHBondContact O-N 3.47Å; N470-V483 HydrophobicContact CB-CB 4.38Å; N470-V483 HydrophobicContact CB-CG1 3.57Å; N470-V483 HydrophobicContact CB-CG2 3.91Å; N470-H498 PolarHBondContact ND2-O 2.69Å; N470-H498 PolarHBondContact OD1-N 3.2Å; N470-H498 PolarHBondContact OD1-O 2.67Å
471	F	95	Very high	91.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.4	-176.7	-176.5	-108.1	0	0	0	111.3	I310 E314 A317 G319 A320 Y478 S479 Y480	I310-F471 HydrophobicContact CD1-CD2 3.98Å; I310-F471 HydrophobicContact CD1-CE1 4.04Å; I310-F471 HydrophobicContact CD1-CE2 3.13Å; I310-F471 HydrophobicContact CD1-CZ 3.15Å; E314-F471 HydrophobicContact CB-CE1 4.16Å; E314-F471 HydrophobicContact CB-CZ 4.1Å; E314-F471 HydrophobicContact CG-CZ 4.3Å; E314-F471 WeakPolarHBondContact O-CE1 3.27Å; A317-F471 HydrophobicContact CB-CD1 3.7Å; A317-F471 HydrophobicContact CB-CE1 3.79Å; A317-F471 WeakPolarHBondContact O-CD1 3.31Å; G319-F471 PolarHBondContact N-O 2.92Å; A320-F471 HydrophobicContact CB-CB 4.31Å; A320-F471 PolarHBondContact O-N 2.81Å; F471-Y478 HydrophobicContact CD1-CD1 4.4Å; F471-Y478 AromaticContact CE1-CD1 3.5Å; F471-Y478 HydrophobicContact CE1-CD1 3.5Å; F471-Y478 VanDerWaalsContact CE1-CD1 3.5Å; F471-Y478 HydrophobicContact CE1-CE1 4.16Å; F471-Y478 HydrophobicContact CE1-CG 4.15Å; F471-Y478 VanDerWaalsContact CZ-CB 3.45Å; F471-Y478 AromaticContact CZ-CD1 3.6Å; F471-Y478 HydrophobicContact CZ-CD1 3.6Å; F471-Y478 AromaticContact CZ-CG 3.8Å; F471-Y478 HydrophobicContact CZ-CG 3.8Å; F471-S479 WeakPolarHBondContact CD2-O 3.49Å; F471-Y480 HydrophobicContact CB-CD1 4.01Å; F471-Y480 HydrophobicContact CB-CE1 3.67Å; F471-Y480 AromaticContact CD2-CD1 3.93Å; F471-Y480 HydrophobicContact CD2-CD1 3.93Å; F471-Y480 AromaticContact CD2-CD2 3.9Å; F471-Y480 HydrophobicContact CD2-CD2 3.9Å; F471-Y480 AromaticContact CD2-CE1 3.66Å; F471-Y480 HydrophobicContact CD2-CE1 3.66Å; F471-Y480 AromaticContact CD2-CE2 3.61Å; F471-Y480 HydrophobicContact CD2-CE2 3.61Å; F471-Y480 HydrophobicContact CD2-CG 4.02Å; F471-Y480 AromaticContact CD2-CZ 3.45Å; F471-Y480 VanDerWaalsContact CD2-CZ 3.45Å; F471-Y480 HydrophobicContact CE2-CD2 4.32Å; F471-Y480 AromaticContact CE2-CE2 3.93Å; F471-Y480 HydrophobicContact CE2-CE2 3.93Å; F471-Y480 HydrophobicContact CG-CD1 4.42Å; F471-Y480 AromaticContact CG-CE1 3.97Å; F471-Y480 HydrophobicContact CG-CE1 3.97Å
472	Q	93.4	Very high	91.5	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163.6	-164.8	-54.3	-166.9	2.7	0	0	112.3	N470 V474 Y478 S479 S496 H498	N470-Q472 VanDerWaalsContact OD1-CG 3.28Å; N470-Q472 WeakPolarHBondContact OD1-CG 3.35Å; N470-Q472 PolarHBondContact OD1-NE2 2.92Å; Q472-V474 HydrophobicContact CB-CG2 4.26Å; Q472-Y478 CarbonylContact O-C 3.42Å; Q472-Y478 VanDerWaalsContact O-CA 3.23Å; Q472-Y478 WeakPolarHBondContact O-CA 3.28Å; Q472-S479 PolarHBondContact N-O 3.3Å; Q472-S479 PolarHBondContact O-N 2.66Å; Q472-S496 PolarHBondContact NE2-O 3.01Å; Q472-H498 HydrophobicContact CG-CB 4.08Å
473	N	89.9	Confident	91.6	Very high	54 Å²	54	44.2 Å²	44.2	29%	0.289	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.6	168.5	-173	-22.2	0	0	0	108.3	Y318 G476 K477 Y478	Y318-N473 HydrophobicContact CD2-CB 4.42Å; Y318-N473 HydrophobicContact CE2-CB 4.22Å; N473-G476 VanDerWaalsContact OD1-C 3.29Å; N473-G476 WeakPolarHBondContact OD1-CA 3.15Å; N473-G476 PolarHBondContact OD1-N 3.02Å; N473-G476 VanDerWaalsContact OD1-N 3.14Å; N473-K477 WeakPolarHBondContact CA-O 3.3Å; N473-Y478 HydrophobicContact CB-CD1 3.86Å; N473-Y478 HydrophobicContact CB-CE1 3.7Å; N473-Y478 HydrophobicContact CB-CG 4.48Å
474	V	84.9	Confident	91.9	Very high	78 Å²	78	41.2 Å²	41.2	47%	0.473	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.2	-177.8	-177.1	0	0	0	0	108.4	Q472 G476 K477 L481	Q472-V474 HydrophobicContact CB-CG2 4.26Å; V474-G476 PolarHBondContact O-N 3.45Å; V474-G476 VanDerWaalsContact O-N 3.15Å; V474-K477 PolarHBondContact N-O 3.04Å; V474-K477 PolarHBondContact O-N 3.3Å; V474-K477 VanDerWaalsContact O-N 3.08Å; V474-L481 HydrophobicContact CG2-CD1 4.09Å
475	G	81.2	Confident	92.1	Very high	93 Å²	93	44.7 Å²	44.7	96%	0.959	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	19.3	179.7	0	0	0	0	0	115
476	G	81.9	Confident	92.3	Very high	62 Å²	62	41.2 Å²	41.2	64%	0.639	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.3	-8.3	-175.4	0	0	0	0	0	114.7	N473 V474	N473-G476 VanDerWaalsContact OD1-C 3.29Å; N473-G476 WeakPolarHBondContact OD1-CA 3.15Å; N473-G476 PolarHBondContact OD1-N 3.02Å; N473-G476 VanDerWaalsContact OD1-N 3.14Å; V474-G476 PolarHBondContact O-N 3.45Å; V474-G476 VanDerWaalsContact O-N 3.15Å
477	K	87.8	Confident	92.1	Very high	122 Å²	122	43 Å²	43	53%	0.53	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.1	168	-158.6	-140.2	168.1	-157.1	0	109.5	E307 N473 V474	E307-K477 IonicContact OE1-NZ 3.2Å; E307-K477 PolarHBondContact OE1-NZ 3.14Å; E307-K477 IonicContact OE2-NZ 2.84Å; N473-K477 WeakPolarHBondContact CA-O 3.3Å; V474-K477 PolarHBondContact N-O 3.04Å; V474-K477 PolarHBondContact O-N 3.3Å; V474-K477 VanDerWaalsContact O-N 3.08Å
478	Y	90.3	Very high	91.8	Very high	67 Å²	67	49.6 Å²	49.6	26%	0.263	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	146.2	165.5	-72	-83.7	0	0	0	111.8	E314 Y318 F471 Q472 N473	E314-Y478 HydrophobicContact CB-CD1 4.14Å; E314-Y478 HydrophobicContact CB-CD2 3.7Å; E314-Y478 HydrophobicContact CB-CE1 4.27Å; E314-Y478 HydrophobicContact CB-CE2 3.85Å; E314-Y478 HydrophobicContact CB-CG 3.86Å; E314-Y478 HydrophobicContact CG-CD2 4.16Å; E314-Y478 HydrophobicContact CG-CG 4.33Å; Y318-Y478 HydrophobicContact CD2-CE1 4.14Å; Y318-Y478 HydrophobicContact CG-CE1 4.49Å; F471-Y478 HydrophobicContact CD1-CD1 4.4Å; F471-Y478 AromaticContact CE1-CD1 3.5Å; F471-Y478 HydrophobicContact CE1-CD1 3.5Å; F471-Y478 VanDerWaalsContact CE1-CD1 3.5Å; F471-Y478 HydrophobicContact CE1-CE1 4.16Å; F471-Y478 HydrophobicContact CE1-CG 4.15Å; F471-Y478 VanDerWaalsContact CZ-CB 3.45Å; F471-Y478 AromaticContact CZ-CD1 3.6Å; F471-Y478 HydrophobicContact CZ-CD1 3.6Å; F471-Y478 AromaticContact CZ-CG 3.8Å; F471-Y478 HydrophobicContact CZ-CG 3.8Å; Q472-Y478 CarbonylContact O-C 3.42Å; Q472-Y478 VanDerWaalsContact O-CA 3.23Å; Q472-Y478 WeakPolarHBondContact O-CA 3.28Å; N473-Y478 HydrophobicContact CB-CD1 3.86Å; N473-Y478 HydrophobicContact CB-CE1 3.7Å; N473-Y478 HydrophobicContact CB-CG 4.48Å
479	S	91.1	Very high	91.6	Very high	23 Å²	23	54.5 Å²	54.5	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	162.1	174.5	56.3	0	0	0	0	112.5	F471 Q472	F471-S479 WeakPolarHBondContact CD2-O 3.49Å; Q472-S479 PolarHBondContact N-O 3.3Å; Q472-S479 PolarHBondContact O-N 2.66Å
480	Y	92.8	Very high	91.6	Very high	23 Å²	23	55 Å²	55	9%	0.09	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.9	167.4	-70.1	-83.9	0	0	0	110.3	W303 A305 E307 I310 T322 F469 F471	W303-Y480 AromaticContact NE1-CZ 3.75Å; W303-Y480 PolarHBondContact NE1-OH 2.96Å; A305-Y480 VanDerWaalsContact C-CD2 3.44Å; A305-Y480 HydrophobicContact CB-CD1 4.4Å; A305-Y480 HydrophobicContact CB-CD2 4.25Å; A305-Y480 HydrophobicContact CB-CG 3.92Å; A305-Y480 WeakPolarHBondContact O-CD2 3.32Å; E307-Y480 HydrophobicContact CG-CD2 4.48Å; I310-Y480 HydrophobicContact CD1-CE2 3.88Å; I310-Y480 WeakPolarHBondContact CG2-OH 3.49Å; T322-Y480 HydrophobicContact CG2-CE1 4.12Å; F469-Y480 HydrophobicContact CB-CD1 4.26Å; F471-Y480 HydrophobicContact CB-CD1 4.01Å; F471-Y480 HydrophobicContact CB-CE1 3.67Å; F471-Y480 AromaticContact CD2-CD1 3.93Å; F471-Y480 HydrophobicContact CD2-CD1 3.93Å; F471-Y480 AromaticContact CD2-CD2 3.9Å; F471-Y480 HydrophobicContact CD2-CD2 3.9Å; F471-Y480 AromaticContact CD2-CE1 3.66Å; F471-Y480 HydrophobicContact CD2-CE1 3.66Å; F471-Y480 AromaticContact CD2-CE2 3.61Å; F471-Y480 HydrophobicContact CD2-CE2 3.61Å; F471-Y480 HydrophobicContact CD2-CG 4.02Å; F471-Y480 AromaticContact CD2-CZ 3.45Å; F471-Y480 VanDerWaalsContact CD2-CZ 3.45Å; F471-Y480 HydrophobicContact CE2-CD2 4.32Å; F471-Y480 AromaticContact CE2-CE2 3.93Å; F471-Y480 HydrophobicContact CE2-CE2 3.93Å; F471-Y480 HydrophobicContact CG-CD1 4.42Å; F471-Y480 AromaticContact CG-CE1 3.97Å; F471-Y480 HydrophobicContact CG-CE1 3.97Å
481	L	93.6	Very high	91.6	Very high	74 Å²	74	57.7 Å²	57.7	39%	0.387	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.5	172.9	-65.1	-175.6	0	0	0	110.3	F469 N470 V474 V483	F469-L481 CarbonylContact C-O 3.58Å; F469-L481 VanDerWaalsContact CA-O 3.27Å; F469-L481 WeakPolarHBondContact CA-O 3.44Å; N470-L481 PolarHBondContact N-O 3.23Å; N470-L481 PolarHBondContact O-N 3.47Å; V474-L481 HydrophobicContact CG2-CD1 4.09Å; L481-V483 PolarHBondContact O-N 3.27Å
482	K	94.1	Very high	91.6	Very high	111 Å²	111	58.7 Å²	58.7	48%	0.483	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	114.7	177.2	179	177.7	170.1	172.8	0	109.1	N467 V468 F469 G484	N467-K482 HydrophobicContact CB-CD 4.37Å; N467-K482 VanDerWaalsContact OD1-CE 3.26Å; N467-K482 WeakPolarHBondContact OD1-CE 3.24Å; N467-K482 PolarHBondContact OD1-NZ 3.12Å; V468-K482 WeakPolarHBondContact O-CA 3.37Å; F469-K482 HydrophobicContact CD1-CB 4.09Å; F469-K482 HydrophobicContact CE1-CB 3.86Å; F469-K482 HydrophobicContact CZ-CB 4.42Å; K482-G484 WeakPolarHBondContact CE-O 3.34Å; K482-G484 WeakPolarHBondContact CG-O 3.4Å
483	V	96.2	Very high	91.6	Very high	6 Å²	6	62.1 Å²	62.1	4%	0.036	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-5	-179.2	-62.1	0	0	0	0	112.9	V468 N470 L481 D493 S496 I497	V468-V483 HydrophobicContact CG1-CG2 4.07Å; V468-V483 PolarHBondContact O-N 3.5Å; N470-V483 HydrophobicContact CB-CB 4.38Å; N470-V483 HydrophobicContact CB-CG1 3.57Å; N470-V483 HydrophobicContact CB-CG2 3.91Å; L481-V483 PolarHBondContact O-N 3.27Å; V483-D493 PolarHBondContact O-N 2.97Å; V483-S496 VanDerWaalsContact CB-OG 3.29Å; V483-S496 WeakPolarHBondContact CB-OG 3.14Å; V483-S496 VanDerWaalsContact CG1-OG 3.25Å; V483-S496 WeakPolarHBondContact CG1-OG 3.46Å; V483-I497 HydrophobicContact CB-CD1 4.34Å; V483-I497 HydrophobicContact CB-CG1 3.73Å; V483-I497 HydrophobicContact CG1-CG1 3.91Å; V483-I497 HydrophobicContact CG2-CD1 4.15Å; V483-I497 HydrophobicContact CG2-CG1 3.9Å
484	G	95.6	Very high	91.7	Very high	8 Å²	8	62.4 Å²	62.4	8%	0.082	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-170.3	-179.6	0	0	0	0	0	114.4	V468 K482 S491	V468-G484 PolarHBondContact N-O 3.4Å; V468-G484 PolarHBondContact O-N 3.07Å; K482-G484 WeakPolarHBondContact CE-O 3.34Å; K482-G484 WeakPolarHBondContact CG-O 3.4Å; G484-S491 CarbonylContact C-O 3.56Å; G484-S491 WeakPolarHBondContact CA-O 3.48Å
485	H	95.1	Very high	91.9	Very high	86 Å²	86	66 Å²	66	40%	0.398	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.5	176.1	65.3	-65.4	0	0	0	111.2	Y466 S491	Y466-H485 CarbonylContact O-C 3.6Å; Y466-H485 VanDerWaalsContact O-CA 3.3Å; Y466-H485 WeakPolarHBondContact O-CA 3.5Å; H485-S491 VanDerWaalsContact CE1-CB 3.44Å; H485-S491 WeakPolarHBondContact CE1-CB 3.3Å; H485-S491 PolarHBondContact N-O 3.14Å; H485-S491 PolarHBondContact O-N 3.33Å
486	W	95.5	Very high	92.5	Very high	3 Å²	3	63.2 Å²	63.2	1%	0.011	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.2	172.9	-171.9	97	0	0	0	109.9	Y196 K199 A200 E203 G464 R465 Y466 T489 L490	Y196-W486 AromaticContact CD1-CH2 3.93Å; Y196-W486 HydrophobicContact CD1-CH2 3.93Å; Y196-W486 HydrophobicContact CD1-CZ3 4.32Å; K199-W486 HydrophobicContact CD-CH2 4.36Å; K199-W486 HydrophobicContact CD-CZ2 3.79Å; K199-W486 HydrophobicContact CG-CZ2 4.02Å; A200-W486 HydrophobicContact CB-CB 4.07Å; A200-W486 HydrophobicContact CB-CD2 3.75Å; A200-W486 HydrophobicContact CB-CE3 4.46Å; A200-W486 HydrophobicContact CB-CG 3.52Å; E203-W486 PolarHBondContact OE2-NE1 2.87Å; G464-W486 WeakPolarHBondContact O-CZ3 3.24Å; R465-W486 WeakPolarHBondContact CA-O 3.13Å; Y466-W486 AromaticContact CD2-CE3 3.94Å; Y466-W486 HydrophobicContact CD2-CE3 3.94Å; Y466-W486 HydrophobicContact CE2-CE3 4.39Å; Y466-W486 PolarHBondContact N-O 2.62Å; Y466-W486 PolarHBondContact O-N 3.18Å; W486-T489 WeakPolarHBondContact CA-O 3.38Å; W486-L490 HydrophobicContact CB-CD1 4.42Å
487	A	91.8	Very high	93	Very high	37 Å²	37	60.8 Å²	60.8	31%	0.306	32%	0.321	S	S	.	.	S	Bend	trans	-150.4	90.9	174.9	0	0	0	0	0	107.7	R465 T489	R465-A487 HydrophobicContact CG-CB 4.3Å; A487-T489 PolarHBondContact N-O 3.25Å; A487-T489 PolarHBondContact O-N 3.32Å
488	E	88.3	Confident	93.2	Very high	155 Å²	155	58.6 Å²	58.6	72%	0.724	31%	0.312	S	S	*	.	S	Bend	trans	63.4	-31.4	-168.5	-57.6	-178.7	-169.9	0	0	115.6	K199	K199-E488 PolarHBondContact NZ-O 3.27Å
489	T	92.4	Very high	93.2	Very high	102 Å²	102	56.3 Å²	56.3	63%	0.626	30%	0.303	S	S	*	.	S	Bend	trans	-128.7	156.9	175.6	56.6	0	0	0	0	110.4	W486 A487	W486-T489 WeakPolarHBondContact CA-O 3.38Å; A487-T489 PolarHBondContact N-O 3.25Å; A487-T489 PolarHBondContact O-N 3.32Å
490	L	95.8	Very high	92.8	Very high	40 Å²	40	57.6 Å²	57.6	21%	0.209	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.8	-179.3	-178.3	64.2	0	0	0	112	E203 I204 F207 V468 W486 L492	E203-L490 HydrophobicContact CB-CB 4.46Å; E203-L490 HydrophobicContact CB-CD2 4.18Å; I204-L490 HydrophobicContact CB-CD2 4.36Å; I204-L490 HydrophobicContact CD1-CD1 4.3Å; I204-L490 HydrophobicContact CG1-CD1 3.74Å; I204-L490 HydrophobicContact CG1-CD2 3.69Å; I204-L490 HydrophobicContact CG1-CG 4.4Å; F207-L490 HydrophobicContact CB-CD2 4.14Å; V468-L490 HydrophobicContact CG2-CD1 4.37Å; W486-L490 HydrophobicContact CB-CD1 4.42Å; L490-L492 HydrophobicContact CD1-CD2 4.01Å; L490-L492 HydrophobicContact CD1-CG 4.04Å; L490-L492 HydrophobicContact CD2-CD1 4.08Å; L490-L492 HydrophobicContact CD2-CG 4.29Å; L490-L492 HydrophobicContact CG-CD1 4.41Å; L490-L492 HydrophobicContact CG-CG 4.07Å
491	S	96.3	Very high	92.2	Very high	57 Å²	57	65.2 Å²	65.2	40%	0.399	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.4	172.2	179	0	0	0	0	110.3	G484 H485	G484-S491 CarbonylContact C-O 3.56Å; G484-S491 WeakPolarHBondContact CA-O 3.48Å; H485-S491 VanDerWaalsContact CE1-CB 3.44Å; H485-S491 WeakPolarHBondContact CE1-CB 3.3Å; H485-S491 PolarHBondContact N-O 3.14Å; H485-S491 PolarHBondContact O-N 3.33Å
492	L	95.4	Very high	91.6	Very high	22 Å²	22	68.7 Å²	68.7	12%	0.115	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.8	-179.1	-61.4	178.2	0	0	0	110.4	F207 F208 V468 L490 V494	F207-L492 HydrophobicContact CD1-CD1 3.92Å; F207-L492 HydrophobicContact CE1-CD1 4.16Å; F207-L492 HydrophobicContact CG-CD1 4.28Å; F208-L492 HydrophobicContact CE2-CD1 3.85Å; F208-L492 HydrophobicContact CZ-CD1 3.93Å; V468-L492 HydrophobicContact CB-CD2 4Å; V468-L492 HydrophobicContact CG1-CD2 3.86Å; V468-L492 HydrophobicContact CG2-CD2 4.11Å; L490-L492 HydrophobicContact CD1-CD2 4.01Å; L490-L492 HydrophobicContact CD1-CG 4.04Å; L490-L492 HydrophobicContact CD2-CD1 4.08Å; L490-L492 HydrophobicContact CD2-CG 4.29Å; L490-L492 HydrophobicContact CG-CD1 4.41Å; L490-L492 HydrophobicContact CG-CG 4.07Å; L492-V494 PolarHBondContact O-N 3.25Å
493	D	94.6	Very high	91.3	Very high	82 Å²	82	66.8 Å²	66.8	44%	0.439	36%	0.36	S	S	.	.			trans	-88.7	98.4	162.3	177.8	6	0	0	0	109.2	V483 N495 S496	V483-D493 PolarHBondContact O-N 2.97Å; D493-N495 PolarHBondContact O-N 3.35Å; D493-N495 WeakPolarHBondContact OD1-CB 3.47Å; D493-N495 PolarHBondContact OD1-N 3.37Å; D493-N495 PolarHBondContact OD1-ND2 3.39Å; D493-S496 PolarHBondContact O-N 2.68Å; D493-S496 VanDerWaalsContact O-N 3.11Å; D493-S496 PolarHBondContact O-OG 3.09Å
494	V	90.8	Very high	91.1	Very high	59 Å²	59	69.4 Å²	69.4	36%	0.358	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-61.2	-30.7	-177.2	-169.6	0	0	0	0	112.5	F207 F208 L492 S496 I497	F207-V494 HydrophobicContact CE1-CG2 3.55Å; F207-V494 HydrophobicContact CZ-CG2 3.59Å; F208-V494 HydrophobicContact CE1-CG1 4.38Å; L492-V494 PolarHBondContact O-N 3.25Å; V494-S496 PolarHBondContact O-N 2.67Å; V494-I497 PolarHBondContact O-N 3.02Å
495	N	90.1	Very high	90.9	Very high	154 Å²	154	70.4 Å²	70.4	82%	0.824	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-72.8	-22.9	-179.3	-54.9	-64.4	0	0	0	112	D493 I497	D493-N495 PolarHBondContact O-N 3.35Å; D493-N495 WeakPolarHBondContact OD1-CB 3.47Å; D493-N495 PolarHBondContact OD1-N 3.37Å; D493-N495 PolarHBondContact OD1-ND2 3.39Å; N495-I497 VanDerWaalsContact C-N 3.32Å
496	S	92.3	Very high	90.7	Very high	34 Å²	34	71.2 Å²	71.2	24%	0.238	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-79.8	-10.2	176.2	75.3	0	0	0	0	113.6	Q472 V483 D493 V494	Q472-S496 PolarHBondContact NE2-O 3.01Å; V483-S496 VanDerWaalsContact CB-OG 3.29Å; V483-S496 WeakPolarHBondContact CB-OG 3.14Å; V483-S496 VanDerWaalsContact CG1-OG 3.25Å; V483-S496 WeakPolarHBondContact CG1-OG 3.46Å; D493-S496 PolarHBondContact O-N 2.68Å; D493-S496 VanDerWaalsContact O-N 3.11Å; D493-S496 PolarHBondContact O-OG 3.09Å; V494-S496 PolarHBondContact O-N 2.67Å
497	I	93.2	Very high	90.7	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.056	39%	0.393	C	S	.	.			trans	-92.2	122.2	-172.6	-60.7	173.2	0	0	0	111.2	F208 V483 V494 N495 W499	F208-I497 HydrophobicContact CZ-CD1 3.8Å; V483-I497 HydrophobicContact CB-CD1 4.34Å; V483-I497 HydrophobicContact CB-CG1 3.73Å; V483-I497 HydrophobicContact CG1-CG1 3.91Å; V483-I497 HydrophobicContact CG2-CD1 4.15Å; V483-I497 HydrophobicContact CG2-CG1 3.9Å; V494-I497 PolarHBondContact O-N 3.02Å; N495-I497 VanDerWaalsContact C-N 3.32Å; I497-W499 HydrophobicContact CB-CZ2 4.32Å; I497-W499 HydrophobicContact CG2-CD2 4.17Å; I497-W499 HydrophobicContact CG2-CH2 3.94Å; I497-W499 HydrophobicContact CG2-CZ2 3.49Å; I497-W499 VanDerWaalsContact CG2-CZ2 3.49Å; I497-W499 HydrophobicContact CG2-CZ3 4.41Å
498	H	92.1	Very high	90.7	Very high	77 Å²	77	71.9 Å²	71.9	36%	0.356	39%	0.39	S	S	.	.			trans	-93.1	143.8	173.3	-79	-143	0	0	0	111.4	Y318 G319 N470 Q472	Y318-H498 HydrophobicContact CE2-CB 4.39Å; G319-H498 WeakPolarHBondContact CA-O 3.39Å; N470-H498 PolarHBondContact ND2-O 2.69Å; N470-H498 PolarHBondContact OD1-N 3.2Å; N470-H498 PolarHBondContact OD1-O 2.67Å; Q472-H498 HydrophobicContact CG-CB 4.08Å
499	W	91	Very high	90.9	Very high	18 Å²	18	65.4 Å²	65.4	7%	0.068	36%	0.361	C	S	.	.			trans	-122.9	146.5	-177.2	-55.4	100.7	0	0	0	111.3	F208 W210 T296 I321 I497 R501 N502 S503 V504 P505	F208-W499 HydrophobicContact CD1-CH2 4.14Å; F208-W499 HydrophobicContact CD1-CZ2 4.13Å; F208-W499 HydrophobicContact CD2-CH2 4.24Å; F208-W499 AromaticContact CE1-CH2 3.9Å; F208-W499 HydrophobicContact CE1-CH2 3.9Å; F208-W499 AromaticContact CE1-CZ2 3.64Å; F208-W499 HydrophobicContact CE1-CZ2 3.64Å; F208-W499 AromaticContact CE2-CH2 4Å; F208-W499 HydrophobicContact CE2-CH2 4Å; F208-W499 HydrophobicContact CE2-CZ2 4.48Å; F208-W499 HydrophobicContact CG-CH2 4.32Å; F208-W499 AromaticContact CZ-CH2 3.83Å; F208-W499 HydrophobicContact CZ-CH2 3.83Å; F208-W499 AromaticContact CZ-CZ2 3.85Å; F208-W499 HydrophobicContact CZ-CZ2 3.85Å; W210-W499 AromaticContact CH2-CH2 3.73Å; W210-W499 HydrophobicContact CH2-CH2 3.73Å; W210-W499 AromaticContact CH2-CZ3 3.66Å; W210-W499 HydrophobicContact CH2-CZ3 3.66Å; W210-W499 AromaticContact CZ2-CH2 3.72Å; W210-W499 HydrophobicContact CZ2-CH2 3.72Å; W210-W499 AromaticContact CZ2-CZ3 3.64Å; W210-W499 HydrophobicContact CZ2-CZ3 3.64Å; T296-W499 HydrophobicContact CG2-CE3 4.5Å; T296-W499 HydrophobicContact CG2-CZ3 4.17Å; I321-W499 HydrophobicContact CD1-CH2 3.96Å; I321-W499 HydrophobicContact CD1-CZ3 4.17Å; I497-W499 HydrophobicContact CB-CZ2 4.32Å; I497-W499 HydrophobicContact CG2-CD2 4.17Å; I497-W499 HydrophobicContact CG2-CH2 3.94Å; I497-W499 HydrophobicContact CG2-CZ2 3.49Å; I497-W499 VanDerWaalsContact CG2-CZ2 3.49Å; I497-W499 HydrophobicContact CG2-CZ3 4.41Å; W499-R501 PolarHBondContact O-N 2.85Å; W499-N502 PolarHBondContact O-N 2.85Å; W499-N502 VanDerWaalsContact O-N 3.11Å; W499-S503 WeakPolarHBondContact CB-O 3.31Å; W499-V504 HydrophobicContact CH2-CG1 4.37Å; W499-V504 HydrophobicContact CZ2-CB 4.45Å; W499-V504 HydrophobicContact CZ2-CG1 4.28Å; W499-V504 HydrophobicContact CZ2-CG2 3.89Å; W499-P505 VanDerWaalsContact CE3-CD 3.5Å; W499-P505 HydrophobicContact CE3-CG 4.32Å; W499-P505 HydrophobicContact CZ3-CG 4.39Å
500	S	81.9	Confident	90.8	Very high	50 Å²	50	61.6 Å²	61.6	35%	0.35	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.9	179.2	-175.6	0	0	0	0	114.1
501	R	80.6	Confident	90.4	Very high	183 Å²	183	65 Å²	65	69%	0.691	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	22	180	-62.5	-173	177.1	-160.8	-2.5	114.4	W499 S503	W499-R501 PolarHBondContact O-N 2.85Å; R501-S503 PolarHBondContact O-N 3.46Å; R501-S503 VanDerWaalsContact O-N 3.09Å
502	N	81.4	Confident	90.1	Very high	147 Å²	147	67.1 Å²	67.1	79%	0.786	37%	0.37	S	S	*	.	S	Bend	trans	59.3	13.4	-177.4	-56.9	-17.4	0	0	0	115.4	W499	W499-N502 PolarHBondContact O-N 2.85Å; W499-N502 VanDerWaalsContact O-N 3.11Å
503	S	87.5	Confident	89.8	Confident	71 Å²	71	67.4 Å²	67.4	50%	0.497	37%	0.373	S	S	.	.	S	Bend	trans	-148.6	157.2	176.7	58.6	0	0	0	0	110.2	W499 R501	W499-S503 WeakPolarHBondContact CB-O 3.31Å; R501-S503 PolarHBondContact O-N 3.46Å; R501-S503 VanDerWaalsContact O-N 3.09Å
504	V	90.5	Very high	89.5	Confident	62 Å²	62	65.7 Å²	65.7	38%	0.376	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-60.5	125	174.5	-173.6	0	0	0	0	108.5	F208 W210 W499	F208-V504 HydrophobicContact CB-CG1 4.25Å; F208-V504 HydrophobicContact CD1-CG1 3.95Å; F208-V504 HydrophobicContact CD1-CG2 4.47Å; F208-V504 HydrophobicContact CG-CG1 4.37Å; W210-V504 HydrophobicContact CZ2-CG1 4.14Å; W499-V504 HydrophobicContact CH2-CG1 4.37Å; W499-V504 HydrophobicContact CZ2-CB 4.45Å; W499-V504 HydrophobicContact CZ2-CG1 4.28Å; W499-V504 HydrophobicContact CZ2-CG2 3.89Å
505	P	91.8	Very high	89	Confident	28 Å²	28	68.1 Å²	68.1	18%	0.182	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-67.6	140.9	178.7	29	-36.4	0	0	0	110.6	W210 T296 W499	W210-P505 HydrophobicContact CZ2-CG 3.81Å; W210-P505 PolarHBondContact NE1-O 2.04Å; T296-P505 HydrophobicContact CG2-CG 4.13Å; T296-P505 WeakPolarHBondContact OG1-CG 3.45Å; W499-P505 VanDerWaalsContact CE3-CD 3.5Å; W499-P505 HydrophobicContact CE3-CG 4.32Å; W499-P505 HydrophobicContact CZ3-CG 4.39Å
506	T	91.6	Very high	88.8	Confident	104 Å²	104	63.1 Å²	63.1	64%	0.638	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-80.4	138.1	165.1	48	0	0	0	0	110	R270	R270-T506 WeakPolarHBondContact CG-O 3.38Å
507	S	94.5	Very high	88.8	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	36%	0.363	C	S	.	.			trans	-146.8	80.7	179.7	-154.3	0	0	0	0	108.5	T211 Y212 R270 V271	T211-S507 PolarHBondContact N-O 3.37Å; Y212-S507 PolarHBondContact N-O 2.84Å; Y212-S507 CarbonylContact O-C 3.52Å; Y212-S507 WeakPolarHBondContact O-CB 3.32Å; Y212-S507 PolarHBondContact O-OG 2.8Å; R270-S507 PolarHBondContact N-OG 3.26Å; V271-S507 PolarHBondContact N-OG 2.71Å
508	Q	92.9	Very high	88.6	Confident	53 Å²	53	66.3 Å²	66.3	25%	0.248	37%	0.372	C	S	.	.			trans	-139.5	146.5	-173.9	67.9	-166.8	18.1	0	0	108.8	T211 N268 D511	T211-Q508 WeakPolarHBondContact OG1-CB 3.42Å; N268-Q508 WeakPolarHBondContact CB-O 3.39Å; Q508-D511 PolarHBondContact NE2-OD1 2.9Å
509	C	91.6	Very high	88.6	Confident	18 Å²	18	64.3 Å²	64.3	12%	0.122	36%	0.362	C	S	.	.	S	Bend	trans	-72.5	-46.2	-172.5	-168.4	0	0	0	0	112	Y212 N268 C527 C528	Y212-C509 VanDerWaalsContact CB-N 3.32Å; Y212-C509 HydrophobicContact CD1-CB 3.96Å; Y212-C509 HydrophobicContact CD2-CB 3.66Å; Y212-C509 HydrophobicContact CE1-CB 4.2Å; Y212-C509 HydrophobicContact CE2-CB 3.91Å; Y212-C509 HydrophobicContact CG-CB 3.67Å; N268-C509 PolarHBondContact ND2-O 2.63Å; C509-C527 VanDerWaalsContact CB-O 3.28Å; C509-C527 WeakPolarHBondContact CB-O 3.46Å; C509-C528 HydrophobicContact CB-CB 3.89Å; C509-C528 WeakPolarHBondContact CB-SG 3.03Å; C509-C528 WeakPolarHBondContact SG-CB 3.28Å; C509-C528 CovalentContact SG-SG 2.04Å; C509-C528 PolarHBondContact SG-SG 2.86Å
510	S	90.2	Very high	88.5	Confident	23 Å²	23	67.2 Å²	67.2	16%	0.161	38%	0.379	C	S	.	.	S	Bend	trans	-126.6	149.5	179.8	-58.5	0	0	0	0	109.7	W529	S510-W529 VanDerWaalsContact CB-O 3.26Å; S510-W529 WeakPolarHBondContact CB-O 3.02Å; S510-W529 WeakPolarHBondContact O-CZ2 3.25Å; S510-W529 PolarHBondContact OG-N 2.93Å; S510-W529 PolarHBondContact OG-O 2.04Å
511	D	88.8	Confident	88.8	Confident	112 Å²	112	68.3 Å²	68.3	60%	0.599	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-80.2	158.7	174.5	-66.3	-46.2	0	0	0	111.5	Q508 C513 W529	Q508-D511 PolarHBondContact NE2-OD1 2.9Å; D511-C513 PolarHBondContact O-N 3.28Å; D511-W529 PolarHBondContact O-NE1 2.04Å
512	P	88.8	Confident	88.9	Confident	101 Å²	101	63 Å²	63	66%	0.656	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-59.4	133.5	173.4	-22.6	34	0	0	0	111.7
513	C	90.4	Very high	88.6	Confident	28 Å²	28	62 Å²	62	19%	0.189	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-71.2	158.1	-180	-55.5	0	0	0	0	112.7	D511 E517 W529 C531	D511-C513 PolarHBondContact O-N 3.28Å; C513-E517 HydrophobicContact CB-CB 3.85Å; C513-W529 VanDerWaalsContact SG-CD1 3.57Å; C513-C531 WeakPolarHBondContact CA-SG 3.45Å; C513-C531 HydrophobicContact CB-CB 3.64Å; C513-C531 WeakPolarHBondContact CB-SG 3.32Å; C513-C531 WeakPolarHBondContact SG-CA 3.26Å; C513-C531 WeakPolarHBondContact SG-CB 3.06Å; C513-C531 CovalentContact SG-SG 2.04Å; C513-C531 PolarHBondContact SG-SG 2.7Å
514	A	87.3	Confident	87.9	Confident	45 Å²	45	62.5 Å²	62.5	37%	0.372	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-70.1	161.5	175.4	0	0	0	0	0	111.9	N516 E517	A514-N516 PolarHBondContact O-N 2.75Å; A514-E517 HydrophobicContact CB-CG 4.06Å; A514-E517 WeakPolarHBondContact CB-OE2 3.01Å; A514-E517 PolarHBondContact N-OE2 2.64Å; A514-E517 PolarHBondContact O-N 3.22Å
515	P	81.9	Confident	86.9	Confident	111 Å²	111	62.7 Å²	62.7	72%	0.721	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11	-173.9	-27.2	36.5	0	0	0	117.3
516	N	85.7	Confident	86.3	Confident	48 Å²	48	66 Å²	66	26%	0.257	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	25.7	173.5	-159.3	54.6	0	0	0	112.5	A514 P533 C534 L559	A514-N516 PolarHBondContact O-N 2.75Å; N516-P533 WeakPolarHBondContact O-CA 3.1Å; N516-C534 PolarHBondContact ND2-O 3.12Å; N516-C534 PolarHBondContact O-N 2.89Å; N516-L559 HydrophobicContact CB-CD1 3.66Å; N516-L559 WeakPolarHBondContact OD1-CD1 3.5Å
517	E	90.8	Very high	86	Confident	62 Å²	62	61.4 Å²	61.4	29%	0.29	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.6	179.9	-67.1	176.5	158.2	0	0	110.6	C513 A514 C531 I532 P533	C513-E517 HydrophobicContact CB-CB 3.85Å; A514-E517 HydrophobicContact CB-CG 4.06Å; A514-E517 WeakPolarHBondContact CB-OE2 3.01Å; A514-E517 PolarHBondContact N-OE2 2.64Å; A514-E517 PolarHBondContact O-N 3.22Å; E517-C531 HydrophobicContact CB-CB 4.1Å; E517-C531 WeakPolarHBondContact OE2-CB 3.46Å; E517-I532 CarbonylContact C-O 3.57Å; E517-I532 VanDerWaalsContact CA-O 3.25Å; E517-I532 WeakPolarHBondContact CA-O 3.44Å; E517-P533 HydrophobicContact CG-CB 4.29Å
518	M	90	Very high	85.8	Confident	50 Å²	50	61.6 Å²	61.6	25%	0.246	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	147.8	172.9	62.7	171.8	173.2	0	0	111.7	C531 I532 L540 C546	M518-C531 WeakPolarHBondContact O-CA 3.25Å; M518-I532 HydrophobicContact CE-CB 4.18Å; M518-I532 HydrophobicContact CE-CG2 3.99Å; M518-I532 HydrophobicContact CG-CB 4.23Å; M518-I532 PolarHBondContact N-O 3.05Å; M518-I532 PolarHBondContact O-N 3.39Å; M518-L540 HydrophobicContact CB-CD1 3.65Å; M518-C546 VanDerWaalsContact SD-SG 3.69Å
519	K	91.1	Very high	85.7	Confident	36 Å²	36	61.2 Å²	61.2	16%	0.157	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.6	172.6	-62	176.1	-168.2	174.7	0	109.8	W529 E543 F544	K519-W529 HydrophobicContact CB-CB 4.07Å; K519-W529 HydrophobicContact CB-CG 4.12Å; K519-W529 HydrophobicContact CD-CD2 4.32Å; K519-W529 HydrophobicContact CD-CG 4.43Å; K519-W529 HydrophobicContact CG-CG 4.12Å; K519-E543 HydrophobicContact CD-CB 4.27Å; K519-E543 WeakPolarHBondContact CE-OE1 3.23Å; K519-E543 PolarHBondContact N-O 3.43Å; K519-E543 IonicContact NZ-OE1 2.68Å; K519-E543 PolarHBondContact NZ-OE1 2.03Å; K519-E543 IonicContact NZ-OE2 3.63Å; K519-E543 PolarHBondContact NZ-OE2 3.29Å; K519-F544 HydrophobicContact CB-CD1 3.94Å; K519-F544 HydrophobicContact CB-CE1 3.85Å; K519-F544 HydrophobicContact CD-CE1 4.25Å; K519-F544 HydrophobicContact CD-CZ 4.36Å; K519-F544 WeakPolarHBondContact O-CD1 3.47Å
520	N	89.9	Confident	85.7	Confident	78 Å²	78	64.6 Å²	64.6	42%	0.417	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	104.3	168.5	-174.2	19.5	0	0	0	110.3	W529 I530 I532	N520-W529 CarbonylContact O-C 3.59Å; N520-W529 VanDerWaalsContact O-CA 3.29Å; N520-W529 WeakPolarHBondContact O-CA 3.47Å; N520-I530 PolarHBondContact N-O 2.63Å; N520-I530 PolarHBondContact O-N 3.22Å; N520-I532 HydrophobicContact CB-CD1 3.63Å; N520-I532 HydrophobicContact CB-CG1 4.16Å
521	M	87.4	Confident	85.8	Confident	74 Å²	74	65.5 Å²	65.5	37%	0.365	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	140.1	-179	-67	-60.5	-146.7	0	0	111.9	V526 W529 F544	M521-V526 VanDerWaalsContact CE-O 3.25Å; M521-V526 WeakPolarHBondContact CE-O 3.14Å; M521-W529 HydrophobicContact SD-CB 3.98Å; M521-W529 HydrophobicContact SD-CE3 4.13Å; M521-F544 HydrophobicContact CE-CE1 3.9Å; M521-F544 HydrophobicContact CE-CZ 4.21Å; M521-F544 HydrophobicContact CG-CE1 4.07Å; M521-F544 HydrophobicContact SD-CE1 4.31Å
522	Q	82.8	Confident	85.9	Confident	70 Å²	70	62.9 Å²	62.9	33%	0.327	38%	0.376	S	S	.	.			trans	-76.3	140.8	176.5	-68.8	-58.6	-79.5	0	0	111.8	G524 D525 C528	Q522-G524 PolarHBondContact O-N 3.4Å; Q522-D525 HydrophobicContact CB-CB 4.39Å; Q522-D525 PolarHBondContact O-N 3.23Å; Q522-D525 VanDerWaalsContact O-N 3.11Å; Q522-C528 HydrophobicContact CB-CB 4.4Å; Q522-C528 HydrophobicContact CG-CB 4.38Å; Q522-C528 PolarHBondContact N-O 2.95Å
523	P	75.9	Confident	86	Confident	128 Å²	128	62.1 Å²	62.1	83%	0.831	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	102.2	-174.4	26.9	-34.7	0	0	0	111.5
524	G	71.6	Confident	86	Confident	80 Å²	80	61.3 Å²	61.3	83%	0.825	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.1	-16.6	179.8	0	0	0	0	0	114.6	Q522	Q522-G524 PolarHBondContact O-N 3.4Å
525	D	71.1	Confident	86.1	Confident	67 Å²	67	64.3 Å²	64.3	36%	0.358	37%	0.371	S	S	.	.			trans	-108	128.3	179.5	-88.4	-51.6	0	0	0	111.4	Q522 C528	Q522-D525 HydrophobicContact CB-CB 4.39Å; Q522-D525 PolarHBondContact O-N 3.23Å; Q522-D525 VanDerWaalsContact O-N 3.11Å; D525-C528 HydrophobicContact CB-CB 3.75Å
526	V	77.9	Confident	86.2	Confident	97 Å²	97	62.7 Å²	62.7	59%	0.588	36%	0.362	S	S	*	.	S	Bend	trans	-84.3	-21.3	179.6	-175.9	0	0	0	0	112.2	M521	M521-V526 VanDerWaalsContact CE-O 3.25Å; M521-V526 WeakPolarHBondContact CE-O 3.14Å
527	C	86.6	Confident	86.2	Confident	7 Å²	7	63.2 Å²	63.2	5%	0.047	36%	0.361	C	S	.	.	S	Bend	trans	-113.6	2.6	-171.9	-41.9	0	0	0	0	113.9	C240 C509 W529	C240-C527 HydrophobicContact CB-CB 3.64Å; C240-C527 WeakPolarHBondContact CB-SG 3.48Å; C240-C527 PolarHBondContact N-SG 2.91Å; C240-C527 VanDerWaalsContact N-SG 3.37Å; C240-C527 WeakPolarHBondContact SG-CB 3.43Å; C240-C527 PolarHBondContact SG-N 3.27Å; C240-C527 CovalentContact SG-SG 2.04Å; C240-C527 PolarHBondContact SG-SG 2.8Å; C509-C527 VanDerWaalsContact CB-O 3.28Å; C509-C527 WeakPolarHBondContact CB-O 3.46Å; C527-W529 WeakPolarHBondContact O-CZ3 3.25Å
528	C	90	Very high	86.1	Confident	6 Å²	6	62.2 Å²	62.2	4%	0.041	36%	0.357	C	S	.	.			trans	-117.3	117.4	-177.6	-56.9	0	0	0	0	109.7	C509 Q522 D525	C509-C528 HydrophobicContact CB-CB 3.89Å; C509-C528 WeakPolarHBondContact CB-SG 3.03Å; C509-C528 WeakPolarHBondContact SG-CB 3.28Å; C509-C528 CovalentContact SG-SG 2.04Å; C509-C528 PolarHBondContact SG-SG 2.86Å; Q522-C528 HydrophobicContact CB-CB 4.4Å; Q522-C528 HydrophobicContact CG-CB 4.38Å; Q522-C528 PolarHBondContact N-O 2.95Å; D525-C528 HydrophobicContact CB-CB 3.75Å
529	W	90.5	Very high	86	Confident	45 Å²	45	61.7 Å²	61.7	17%	0.17	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.3	176	55	82.1	0	0	0	111.4	S510 D511 C513 K519 N520 M521 C527	S510-W529 VanDerWaalsContact CB-O 3.26Å; S510-W529 WeakPolarHBondContact CB-O 3.02Å; S510-W529 WeakPolarHBondContact O-CZ2 3.25Å; S510-W529 PolarHBondContact OG-N 2.93Å; S510-W529 PolarHBondContact OG-O 2.04Å; D511-W529 PolarHBondContact O-NE1 2.04Å; C513-W529 VanDerWaalsContact SG-CD1 3.57Å; K519-W529 HydrophobicContact CB-CB 4.07Å; K519-W529 HydrophobicContact CB-CG 4.12Å; K519-W529 HydrophobicContact CD-CD2 4.32Å; K519-W529 HydrophobicContact CD-CG 4.43Å; K519-W529 HydrophobicContact CG-CG 4.12Å; N520-W529 CarbonylContact O-C 3.59Å; N520-W529 VanDerWaalsContact O-CA 3.29Å; N520-W529 WeakPolarHBondContact O-CA 3.47Å; M521-W529 HydrophobicContact SD-CB 3.98Å; M521-W529 HydrophobicContact SD-CE3 4.13Å; C527-W529 WeakPolarHBondContact O-CZ3 3.25Å
530	I	91.1	Very high	85.9	Confident	89 Å²	89	62 Å²	62	46%	0.456	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.4	165	-62.6	177.2	0	0	0	107.2	N520 I532	N520-I530 PolarHBondContact N-O 2.63Å; N520-I530 PolarHBondContact O-N 3.22Å; I530-I532 HydrophobicContact CG2-CG1 4.33Å
531	C	92.6	Very high	85.7	Confident	41 Å²	41	60.9 Å²	60.9	28%	0.277	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.4	173.3	-55.7	0	0	0	0	109.2	C513 E517 M518	C513-C531 WeakPolarHBondContact CA-SG 3.45Å; C513-C531 HydrophobicContact CB-CB 3.64Å; C513-C531 WeakPolarHBondContact CB-SG 3.32Å; C513-C531 WeakPolarHBondContact SG-CA 3.26Å; C513-C531 WeakPolarHBondContact SG-CB 3.06Å; C513-C531 CovalentContact SG-SG 2.04Å; C513-C531 PolarHBondContact SG-SG 2.7Å; E517-C531 HydrophobicContact CB-CB 4.1Å; E517-C531 WeakPolarHBondContact OE2-CB 3.46Å; M518-C531 WeakPolarHBondContact O-CA 3.25Å
532	I	91.5	Very high	85.5	Confident	58 Å²	58	61.9 Å²	61.9	30%	0.297	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.2	179.7	-59.2	-175.9	0	0	0	108	E517 M518 N520 I530	E517-I532 CarbonylContact C-O 3.57Å; E517-I532 VanDerWaalsContact CA-O 3.25Å; E517-I532 WeakPolarHBondContact CA-O 3.44Å; M518-I532 HydrophobicContact CE-CB 4.18Å; M518-I532 HydrophobicContact CE-CG2 3.99Å; M518-I532 HydrophobicContact CG-CB 4.23Å; M518-I532 PolarHBondContact N-O 3.05Å; M518-I532 PolarHBondContact O-N 3.39Å; N520-I532 HydrophobicContact CB-CD1 3.63Å; N520-I532 HydrophobicContact CB-CG1 4.16Å; I530-I532 HydrophobicContact CG2-CG1 4.33Å
533	P	90.9	Very high	85.6	Confident	85 Å²	85	63.2 Å²	63.2	55%	0.552	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	138.1	178.6	27.6	-34.5	0	0	0	111.1	N516 E517	N516-P533 WeakPolarHBondContact O-CA 3.1Å; E517-P533 HydrophobicContact CG-CB 4.29Å
534	C	89.3	Confident	86.2	Confident	10 Å²	10	61.2 Å²	61.2	7%	0.068	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.6	150	167.8	-58.9	0	0	0	0	110.5	N516 E538 C546	N516-C534 PolarHBondContact ND2-O 3.12Å; N516-C534 PolarHBondContact O-N 2.89Å; C534-E538 HydrophobicContact CB-CB 4.18Å; C534-C546 WeakPolarHBondContact CA-SG 3.01Å; C534-C546 HydrophobicContact CB-CB 3.67Å; C534-C546 WeakPolarHBondContact CB-SG 3.02Å; C534-C546 WeakPolarHBondContact SG-CB 3.47Å; C534-C546 CovalentContact SG-SG 2.03Å; C534-C546 PolarHBondContact SG-SG 2.76Å
535	E	88.7	Confident	87.1	Confident	109 Å²	109	61 Å²	61	51%	0.509	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-66.4	158.9	176.7	-74.5	-73.9	176.2	0	0	111.7	Y537 E538	E535-Y537 HydrophobicContact CB-CD1 4.09Å; E535-Y537 HydrophobicContact CB-CE1 3.56Å; E535-Y537 HydrophobicContact CB-CE2 4.21Å; E535-Y537 HydrophobicContact CG-CE1 4.12Å; E535-Y537 PolarHBondContact O-N 3.26Å; E535-E538 HydrophobicContact CB-CG 3.95Å; E535-E538 PolarHBondContact N-OE2 3.47Å; E535-E538 WeakPolarHBondContact O-CB 3.29Å; E535-E538 PolarHBondContact O-N 2.83Å
536	S	85.7	Confident	88	Confident	76 Å²	76	58.8 Å²	58.8	53%	0.531	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.6	-171.3	61.8	0	0	0	0	115.6	W554 P555	S536-W554 VanDerWaalsContact O-CE2 3.26Å; S536-W554 WeakPolarHBondContact O-CZ2 3.33Å; S536-W554 PolarHBondContact O-NE1 2.99Å; S536-P555 WeakPolarHBondContact O-CG 3.34Å
537	Y	85.7	Confident	88.5	Confident	60 Å²	60	58.4 Å²	58.4	24%	0.235	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	5.5	176.5	55.2	-91.5	0	0	0	113	E535 D548 C549 R723	E535-Y537 HydrophobicContact CB-CD1 4.09Å; E535-Y537 HydrophobicContact CB-CE1 3.56Å; E535-Y537 HydrophobicContact CB-CE2 4.21Å; E535-Y537 HydrophobicContact CG-CE1 4.12Å; E535-Y537 PolarHBondContact O-N 3.26Å; Y537-D548 WeakPolarHBondContact CD2-OD1 3.13Å; Y537-C549 PolarHBondContact O-N 2.87Å; Y537-R723 VanDerWaalsContact CD2-CZ 3.46Å
538	E	88	Confident	88.6	Confident	41 Å²	41	61.2 Å²	61.2	19%	0.192	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	166.8	178.1	-57.9	-177.2	143.2	0	0	110.9	C534 E535 C546 M547 D548 P555	C534-E538 HydrophobicContact CB-CB 4.18Å; E535-E538 HydrophobicContact CB-CG 3.95Å; E535-E538 PolarHBondContact N-OE2 3.47Å; E535-E538 WeakPolarHBondContact O-CB 3.29Å; E535-E538 PolarHBondContact O-N 2.83Å; E538-C546 HydrophobicContact CB-CB 4.27Å; E538-C546 WeakPolarHBondContact OE2-CB 3.42Å; E538-M547 CarbonylContact C-O 3.09Å; E538-M547 WeakPolarHBondContact CA-O 3.37Å; E538-D548 HydrophobicContact CG-CB 4.35Å; E538-P555 WeakPolarHBondContact O-CB 3.42Å; E538-P555 WeakPolarHBondContact O-CG 3.05Å
539	Y	88.2	Confident	88.5	Confident	38 Å²	38	61.5 Å²	61.5	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.2	167.1	71.3	-81.4	0	0	0	111.6	A541 C546 M547 L559 T560 C562	Y539-A541 HydrophobicContact CE2-CB 4.39Å; Y539-A541 PolarHBondContact O-N 2.82Å; Y539-C546 CarbonylContact O-C 3.48Å; Y539-C546 WeakPolarHBondContact O-CA 3.39Å; Y539-M547 HydrophobicContact CE1-CE 3.73Å; Y539-M547 HydrophobicContact CE2-CE 4.4Å; Y539-M547 VanDerWaalsContact CZ-CE 3.5Å; Y539-M547 PolarHBondContact N-O 3.22Å; Y539-M547 PolarHBondContact O-N 2.98Å; Y539-M547 WeakPolarHBondContact OH-CE 3.46Å; Y539-L559 WeakPolarHBondContact CD2-O 3.44Å; Y539-T560 WeakPolarHBondContact CE2-O 3.27Å; Y539-C562 VanDerWaalsContact CE1-SG 3.57Å
540	L	88.9	Confident	88.2	Confident	43 Å²	43	60 Å²	60	23%	0.225	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	104.2	179.5	-170	67.9	0	0	0	110.1	M518 D542	M518-L540 HydrophobicContact CB-CD1 3.65Å; L540-D542 WeakPolarHBondContact CD1-O 3.33Å; L540-D542 WeakPolarHBondContact CG-O 3.16Å
541	A	85	Confident	87.7	Confident	54 Å²	54	61.2 Å²	61.2	45%	0.446	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-28.4	-176.5	0	0	0	0	0	113.1	Y539 T545 M547	Y539-A541 HydrophobicContact CE2-CB 4.39Å; Y539-A541 PolarHBondContact O-N 2.82Å; A541-T545 PolarHBondContact N-O 3.02Å; A541-M547 HydrophobicContact CB-CB 3.98Å; A541-M547 HydrophobicContact CB-CE 4.29Å
542	D	83.4	Confident	87.1	Confident	95 Å²	95	59.7 Å²	59.7	51%	0.508	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.8	169.4	179.7	33.8	0	0	0	108	L540 F544 T545	L540-D542 WeakPolarHBondContact CD1-O 3.33Å; L540-D542 WeakPolarHBondContact CG-O 3.16Å; D542-F544 PolarHBondContact O-N 2.86Å; D542-T545 PolarHBondContact N-O 3.02Å; D542-T545 PolarHBondContact O-N 2.89Å
543	E	85.4	Confident	86.8	Confident	98 Å²	98	60.4 Å²	60.4	46%	0.458	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-19.5	-176.7	-64.8	-160.2	127.3	0	0	114.2	K519	K519-E543 HydrophobicContact CD-CB 4.27Å; K519-E543 WeakPolarHBondContact CE-OE1 3.23Å; K519-E543 PolarHBondContact N-O 3.43Å; K519-E543 IonicContact NZ-OE1 2.68Å; K519-E543 PolarHBondContact NZ-OE1 2.03Å; K519-E543 IonicContact NZ-OE2 3.63Å; K519-E543 PolarHBondContact NZ-OE2 3.29Å
544	F	88.5	Confident	86.6	Confident	86 Å²	86	58.4 Å²	58.4	38%	0.377	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	6	-176.2	-55.2	-82.1	0	0	0	114.1	K519 M521 D542	K519-F544 HydrophobicContact CB-CD1 3.94Å; K519-F544 HydrophobicContact CB-CE1 3.85Å; K519-F544 HydrophobicContact CD-CE1 4.25Å; K519-F544 HydrophobicContact CD-CZ 4.36Å; K519-F544 WeakPolarHBondContact O-CD1 3.47Å; M521-F544 HydrophobicContact CE-CE1 3.9Å; M521-F544 HydrophobicContact CE-CZ 4.21Å; M521-F544 HydrophobicContact CG-CE1 4.07Å; M521-F544 HydrophobicContact SD-CE1 4.31Å; D542-F544 PolarHBondContact O-N 2.86Å
545	T	89.3	Confident	86.7	Confident	76 Å²	76	58.5 Å²	58.5	47%	0.466	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	117.4	-172.4	-61.9	0	0	0	0	113.6	A541 D542	A541-T545 PolarHBondContact N-O 3.02Å; D542-T545 PolarHBondContact N-O 3.02Å; D542-T545 PolarHBondContact O-N 2.89Å
546	C	90.9	Very high	86.6	Confident	20 Å²	20	54.8 Å²	54.8	14%	0.135	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.5	162	-53.7	0	0	0	0	110.6	M518 C534 E538 Y539	M518-C546 VanDerWaalsContact SD-SG 3.69Å; C534-C546 WeakPolarHBondContact CA-SG 3.01Å; C534-C546 HydrophobicContact CB-CB 3.67Å; C534-C546 WeakPolarHBondContact CB-SG 3.02Å; C534-C546 WeakPolarHBondContact SG-CB 3.47Å; C534-C546 CovalentContact SG-SG 2.03Å; C534-C546 PolarHBondContact SG-SG 2.76Å; E538-C546 HydrophobicContact CB-CB 4.27Å; E538-C546 WeakPolarHBondContact OE2-CB 3.42Å; Y539-C546 CarbonylContact O-C 3.48Å; Y539-C546 WeakPolarHBondContact O-CA 3.39Å
547	M	89.1	Confident	86.5	Confident	89 Å²	89	56.5 Å²	56.5	44%	0.438	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.8	178.9	-172.6	169.3	65.8	0	0	112.1	E538 Y539 A541	E538-M547 CarbonylContact C-O 3.09Å; E538-M547 WeakPolarHBondContact CA-O 3.37Å; Y539-M547 HydrophobicContact CE1-CE 3.73Å; Y539-M547 HydrophobicContact CE2-CE 4.4Å; Y539-M547 VanDerWaalsContact CZ-CE 3.5Å; Y539-M547 PolarHBondContact N-O 3.22Å; Y539-M547 PolarHBondContact O-N 2.98Å; Y539-M547 WeakPolarHBondContact OH-CE 3.46Å; A541-M547 HydrophobicContact CB-CB 3.98Å; A541-M547 HydrophobicContact CB-CE 4.29Å
548	D	88.6	Confident	86.4	Confident	67 Å²	67	58.8 Å²	58.8	36%	0.358	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.6	178	-176.9	4	0	0	0	112.2	Y537 E538 G550 R723	Y537-D548 WeakPolarHBondContact CD2-OD1 3.13Å; E538-D548 HydrophobicContact CG-CB 4.35Å; D548-G550 PolarHBondContact O-N 3.11Å; D548-G550 PolarHBondContact OD1-N 2.93Å; D548-R723 IonicContact OD1-CZ 3.61Å; D548-R723 IonicContact OD1-NH1 2.68Å; D548-R723 PolarHBondContact OD1-NH1 3.42Å; D548-R723 IonicContact OD1-NH2 2.74Å; D548-R723 PolarHBondContact OD1-NH2 2.86Å; D548-R723 IonicContact OD2-CZ 3.74Å; D548-R723 IonicContact OD2-NH1 3.97Å; D548-R723 PolarHBondContact OD2-NH1 2.84Å; D548-R723 IonicContact OD2-NH2 2.74Å; D548-R723 PolarHBondContact OD2-NH2 2.92Å
549	C	86.5	Confident	86	Confident	12 Å²	12	59 Å²	59	8%	0.081	34%	0.34	C	S	.	.			trans	-66	-16.7	172.5	-76.8	0	0	0	0	114.2	Y537 Q553 P555 C562	Y537-C549 PolarHBondContact O-N 2.87Å; C549-Q553 HydrophobicContact CB-CB 4.17Å; C549-P555 VanDerWaalsContact SG-N 3.44Å; C549-C562 WeakPolarHBondContact CA-SG 3.17Å; C549-C562 HydrophobicContact CB-CB 3.67Å; C549-C562 WeakPolarHBondContact CB-SG 3.21Å; C549-C562 WeakPolarHBondContact SG-CB 3.45Å; C549-C562 CovalentContact SG-SG 2.03Å; C549-C562 PolarHBondContact SG-SG 2.79Å
550	G	85.5	Confident	85.7	Confident	14 Å²	14	62 Å²	62	14%	0.144	36%	0.362	C	S	.	.			trans	83.7	-177.9	176.9	0	0	0	0	0	114.9	D548 G552 Q553	D548-G550 PolarHBondContact O-N 3.11Å; D548-G550 PolarHBondContact OD1-N 2.93Å; G550-G552 PolarHBondContact O-N 2.86Å; G550-G552 VanDerWaalsContact O-N 3.14Å; G550-Q553 PolarHBondContact O-N 2.03Å
551	P	80.6	Confident	85.5	Confident	114 Å²	114	60.6 Å²	60.6	74%	0.74	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	107.9	-167.8	28.6	-34.8	0	0	0	112.8
552	G	79.1	Confident	85.8	Confident	9 Å²	9	60.3 Å²	60.3	9%	0.093	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	11	175.7	0	0	0	0	0	114.6	G550 L565	G550-G552 PolarHBondContact O-N 2.86Å; G550-G552 VanDerWaalsContact O-N 3.14Å; G552-L565 WeakPolarHBondContact O-CB 3.42Å; G552-L565 PolarHBondContact O-N 2.77Å
553	Q	86.1	Confident	86	Confident	73 Å²	73	61 Å²	61	34%	0.341	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.4	168.6	-58.3	-166.5	-35.7	0	0	110.1	C549 G550 C562 Y563 D564	C549-Q553 HydrophobicContact CB-CB 4.17Å; G550-Q553 PolarHBondContact O-N 2.03Å; Q553-C562 HydrophobicContact CB-CB 4.18Å; Q553-Y563 CarbonylContact C-O 3.29Å; Q553-Y563 WeakPolarHBondContact CA-O 3.16Å; Q553-Y563 WeakPolarHBondContact CB-O 3.5Å; Q553-D564 PolarHBondContact NE2-OD1 3.14Å
554	W	87.1	Confident	86	Confident	43 Å²	43	60.2 Å²	60.2	16%	0.163	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.9	-177.3	-158.5	-91.9	0	0	0	111	S536 C562 Y563 L565 R723 E724	S536-W554 VanDerWaalsContact O-CE2 3.26Å; S536-W554 WeakPolarHBondContact O-CZ2 3.33Å; S536-W554 PolarHBondContact O-NE1 2.99Å; W554-C562 CarbonylContact O-C 3.57Å; W554-C562 VanDerWaalsContact O-CA 3.27Å; W554-C562 WeakPolarHBondContact O-CA 3.11Å; W554-Y563 HydrophobicContact CB-CE1 4.03Å; W554-Y563 HydrophobicContact CB-CE2 4.27Å; W554-Y563 PolarHBondContact N-O 3.44Å; W554-Y563 VanDerWaalsContact O-CD1 3.23Å; W554-Y563 WeakPolarHBondContact O-CD1 3.4Å; W554-Y563 PolarHBondContact O-N 3.45Å; W554-L565 HydrophobicContact CB-CD1 4.32Å; W554-L565 HydrophobicContact CB-CD2 3.8Å; W554-L565 HydrophobicContact CB-CG 3.99Å; W554-L565 HydrophobicContact CE3-CD1 4.12Å; W554-L565 HydrophobicContact CG-CD2 4.32Å; W554-R723 HydrophobicContact CZ3-CB 3.8Å; W554-E724 HydrophobicContact CH2-CG 3.83Å; W554-E724 HydrophobicContact CZ2-CG 4.47Å; W554-E724 HydrophobicContact CZ3-CG 4Å
555	P	90	Very high	85.9	Confident	12 Å²	12	56.8 Å²	56.8	8%	0.078	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.9	178.5	25.6	-36.7	0	0	0	112.2	S536 E538 C549 L559 Y563	S536-P555 WeakPolarHBondContact O-CG 3.34Å; E538-P555 WeakPolarHBondContact O-CB 3.42Å; E538-P555 WeakPolarHBondContact O-CG 3.05Å; C549-P555 VanDerWaalsContact SG-N 3.44Å; P555-L559 HydrophobicContact CB-CD2 4.33Å; P555-Y563 WeakPolarHBondContact O-CE1 3.42Å
556	T	86.8	Confident	85.6	Confident	30 Å²	30	57.7 Å²	57.7	18%	0.184	34%	0.34	C	S	.	.			trans	-70.7	157.7	176.8	48.1	0	0	0	0	111.8	D558 L559 T560 G561 Y563	T556-D558 VanDerWaalsContact CB-OD1 3.25Å; T556-D558 WeakPolarHBondContact CB-OD1 3.38Å; T556-D558 PolarHBondContact O-N 2.93Å; T556-D558 PolarHBondContact OG1-OD1 3Å; T556-L559 WeakPolarHBondContact O-CA 3.02Å; T556-L559 PolarHBondContact O-N 3.49Å; T556-T560 PolarHBondContact OG1-N 3.06Å; T556-G561 WeakPolarHBondContact CB-O 3.38Å; T556-G561 WeakPolarHBondContact CG2-O 3.34Å; T556-G561 PolarHBondContact N-O 2.81Å; T556-G561 PolarHBondContact OG1-N 2.95Å; T556-G561 PolarHBondContact OG1-O 3.17Å; T556-Y563 HydrophobicContact CG2-CD1 4Å
557	A	83.8	Confident	85.3	Confident	113 Å²	113	58.9 Å²	58.9	93%	0.934	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.6	-175.9	0	0	0	0	0	114
558	D	83.8	Confident	85.1	Confident	108 Å²	108	56.3 Å²	56.3	58%	0.578	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.4	171	59.4	-53.3	0	0	0	113.2	T556 T560	T556-D558 VanDerWaalsContact CB-OD1 3.25Å; T556-D558 WeakPolarHBondContact CB-OD1 3.38Å; T556-D558 PolarHBondContact O-N 2.93Å; T556-D558 PolarHBondContact OG1-OD1 3Å; D558-T560 HydrophobicContact CB-CG2 4.38Å; D558-T560 PolarHBondContact O-N 2.69Å; D558-T560 WeakPolarHBondContact OD2-CB 3.04Å; D558-T560 WeakPolarHBondContact OD2-CG2 2.99Å; D558-T560 PolarHBondContact OD2-OG1 2.81Å
559	L	80.3	Confident	85	Confident	46 Å²	46	56 Å²	56	24%	0.241	33%	0.326	C	S	.	.	S	Bend	trans	57.9	27.1	176.1	-57.5	167.8	0	0	0	114.4	N516 Y539 P555 T556	N516-L559 HydrophobicContact CB-CD1 3.66Å; N516-L559 WeakPolarHBondContact OD1-CD1 3.5Å; Y539-L559 WeakPolarHBondContact CD2-O 3.44Å; P555-L559 HydrophobicContact CB-CD2 4.33Å; T556-L559 WeakPolarHBondContact O-CA 3.02Å; T556-L559 PolarHBondContact O-N 3.49Å
560	T	81.9	Confident	85.1	Confident	100 Å²	100	56 Å²	56	61%	0.613	33%	0.325	S	S	*	.	S	Bend	trans	-94.1	-16.5	-179.7	61.7	0	0	0	0	114	Y539 T556 D558	Y539-T560 WeakPolarHBondContact CE2-O 3.27Å; T556-T560 PolarHBondContact OG1-N 3.06Å; D558-T560 HydrophobicContact CB-CG2 4.38Å; D558-T560 PolarHBondContact O-N 2.69Å; D558-T560 WeakPolarHBondContact OD2-CB 3.04Å; D558-T560 WeakPolarHBondContact OD2-CG2 2.99Å; D558-T560 PolarHBondContact OD2-OG1 2.81Å
561	G	84.5	Confident	85.2	Confident	14 Å²	14	61.4 Å²	61.4	14%	0.144	34%	0.341	C	S	.	.	S	Bend	trans	-179.2	-162.9	-177.3	0	0	0	0	0	112.7	T556	T556-G561 WeakPolarHBondContact CB-O 3.38Å; T556-G561 WeakPolarHBondContact CG2-O 3.34Å; T556-G561 PolarHBondContact N-O 2.81Å; T556-G561 PolarHBondContact OG1-N 2.95Å; T556-G561 PolarHBondContact OG1-O 3.17Å
562	C	89.9	Confident	85.6	Confident	47 Å²	47	62.6 Å²	62.6	32%	0.318	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.8	-168.5	-50.7	0	0	0	0	113	Y539 C549 Q553 W554	Y539-C562 VanDerWaalsContact CE1-SG 3.57Å; C549-C562 WeakPolarHBondContact CA-SG 3.17Å; C549-C562 HydrophobicContact CB-CB 3.67Å; C549-C562 WeakPolarHBondContact CB-SG 3.21Å; C549-C562 WeakPolarHBondContact SG-CB 3.45Å; C549-C562 CovalentContact SG-SG 2.03Å; C549-C562 PolarHBondContact SG-SG 2.79Å; Q553-C562 HydrophobicContact CB-CB 4.18Å; W554-C562 CarbonylContact O-C 3.57Å; W554-C562 VanDerWaalsContact O-CA 3.27Å; W554-C562 WeakPolarHBondContact O-CA 3.11Å
563	Y	88.8	Confident	86	Confident	109 Å²	109	70 Å²	70	43%	0.427	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.2	173.8	69.1	-92.3	0	0	0	112.6	Q553 W554 P555 T556 L565	Q553-Y563 CarbonylContact C-O 3.29Å; Q553-Y563 WeakPolarHBondContact CA-O 3.16Å; Q553-Y563 WeakPolarHBondContact CB-O 3.5Å; W554-Y563 HydrophobicContact CB-CE1 4.03Å; W554-Y563 HydrophobicContact CB-CE2 4.27Å; W554-Y563 PolarHBondContact N-O 3.44Å; W554-Y563 VanDerWaalsContact O-CD1 3.23Å; W554-Y563 WeakPolarHBondContact O-CD1 3.4Å; W554-Y563 PolarHBondContact O-N 3.45Å; P555-Y563 WeakPolarHBondContact O-CE1 3.42Å; T556-Y563 HydrophobicContact CG2-CD1 4Å; Y563-L565 HydrophobicContact CE2-CD2 4.19Å; Y563-L565 PolarHBondContact O-N 3.29Å
564	D	86.1	Confident	86.1	Confident	82 Å²	82	68.3 Å²	68.3	44%	0.439	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.5	176.1	-102	24.6	0	0	0	111.1	Q553 R716	Q553-D564 PolarHBondContact NE2-OD1 3.14Å; D564-R716 IonicContact OD2-CZ 2.98Å; D564-R716 IonicContact OD2-NH1 3.27Å; D564-R716 PolarHBondContact OD2-NH1 3Å; D564-R716 IonicContact OD2-NH2 3.5Å
565	L	84.7	Confident	86.1	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.079	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-73.1	151.2	176.9	-77.1	169.1	0	0	0	112.7	G552 W554 Y563 R723 V726	G552-L565 WeakPolarHBondContact O-CB 3.42Å; G552-L565 PolarHBondContact O-N 2.77Å; W554-L565 HydrophobicContact CB-CD1 4.32Å; W554-L565 HydrophobicContact CB-CD2 3.8Å; W554-L565 HydrophobicContact CB-CG 3.99Å; W554-L565 HydrophobicContact CE3-CD1 4.12Å; W554-L565 HydrophobicContact CG-CD2 4.32Å; Y563-L565 HydrophobicContact CE2-CD2 4.19Å; Y563-L565 PolarHBondContact O-N 3.29Å; L565-R723 WeakPolarHBondContact CD1-O 3.37Å; L565-V726 HydrophobicContact CB-CG2 3.71Å; L565-V726 HydrophobicContact CD1-CG2 4.45Å
566	P	83.4	Confident	86.1	Confident	94 Å²	94	74.5 Å²	74.5	61%	0.61	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-66	137.7	-178.1	27	-34.7	0	0	0	112.7	D568	P566-D568 PolarHBondContact O-N 2.73Å
567	E	84.8	Confident	86.4	Confident	46 Å²	46	73.1 Å²	73.1	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.2	179.3	-63.4	-178.9	156	0	0	111.8	Y569 K635 R716 V726 L728	E567-Y569 WeakPolarHBondContact O-CD1 3.45Å; E567-K635 WeakPolarHBondContact OE2-CE 3.44Å; E567-K635 IonicContact OE2-NZ 3.77Å; E567-K635 PolarHBondContact OE2-NZ 2.95Å; E567-R716 IonicContact OE1-CZ 2.7Å; E567-R716 VanDerWaalsContact OE1-CZ 3.3Å; E567-R716 IonicContact OE1-NE 3.84Å; E567-R716 PolarHBondContact OE1-NE 2.81Å; E567-R716 IonicContact OE1-NH2 2.89Å; E567-R716 PolarHBondContact OE1-NH2 3.23Å; E567-V726 CarbonylContact C-O 3.57Å; E567-V726 WeakPolarHBondContact CA-O 3.4Å; E567-L728 HydrophobicContact CB-CB 4.45Å
568	D	84.8	Confident	86.8	Confident	34 Å²	34	72 Å²	72	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.4	171.7	-173.7	35.7	0	0	0	111.5	P566 V726 L728 Y796 R797	P566-D568 PolarHBondContact O-N 2.73Å; D568-V726 PolarHBondContact N-O 3.42Å; D568-L728 PolarHBondContact O-N 3.02Å; D568-Y796 PolarHBondContact OD2-OH 3.1Å; D568-R797 IonicContact OD1-NH2 2.62Å; D568-R797 PolarHBondContact OD1-NH2 3.47Å; D568-R797 IonicContact OD2-CZ 3.5Å; D568-R797 IonicContact OD2-NE 2.68Å; D568-R797 IonicContact OD2-NH2 3.47Å; D568-R797 PolarHBondContact OD2-NH2 3.24Å
569	Y	87.6	Confident	87.1	Confident	60 Å²	60	68.2 Å²	68.2	24%	0.235	35%	0.351	C	S	.	.			trans	-162.6	158.8	-179.7	65.3	-82.2	0	0	0	109.2	E567 R571 K635	E567-Y569 WeakPolarHBondContact O-CD1 3.45Å; Y569-R571 HydrophobicContact CE2-CG 4.45Å; Y569-R571 PolarHBondContact O-N 2.68Å; Y569-K635 HydrophobicContact CD1-CD 4.28Å; Y569-K635 HydrophobicContact CD1-CG 4.34Å; Y569-K635 HydrophobicContact CD2-CB 3.95Å; Y569-K635 HydrophobicContact CD2-CD 4.39Å; Y569-K635 HydrophobicContact CD2-CG 3.81Å; Y569-K635 HydrophobicContact CE1-CD 3.91Å; Y569-K635 HydrophobicContact CE1-CG 4.35Å; Y569-K635 HydrophobicContact CE2-CB 3.77Å; Y569-K635 HydrophobicContact CE2-CD 4.03Å; Y569-K635 HydrophobicContact CE2-CG 3.8Å; Y569-K635 HydrophobicContact CG-CG 4.09Å
570	I	87.4	Confident	87.7	Confident	14 Å²	14	66 Å²	66	7%	0.072	34%	0.34	C	S	.	.			trans	-61.9	120.6	179.7	-49	179.5	0	0	0	109.4	D574 W576 A577 Y796 R797 T800	I570-D574 WeakPolarHBondContact CA-OD2 3.09Å; I570-D574 HydrophobicContact CG2-CB 4.26Å; I570-W576 HydrophobicContact CG2-CB 4.44Å; I570-A577 HydrophobicContact CG2-CB 4.02Å; I570-Y796 HydrophobicContact CG1-CD2 4.31Å; I570-Y796 HydrophobicContact CG1-CE2 3.82Å; I570-R797 HydrophobicContact CG1-CG 4.36Å; I570-T800 HydrophobicContact CD1-CG2 3.98Å
571	R	87.8	Confident	88.3	Confident	127 Å²	127	62.6 Å²	62.6	48%	0.479	32%	0.318	S	S	.	.			trans	-91.3	154.4	175.9	-59.4	-174.6	-178.4	-165.2	1.5	110.1	Y569 E573 D574 A577	Y569-R571 HydrophobicContact CE2-CG 4.45Å; Y569-R571 PolarHBondContact O-N 2.68Å; R571-E573 PolarHBondContact O-N 2.81Å; R571-D574 PolarHBondContact N-OD2 3.17Å; R571-D574 WeakPolarHBondContact O-CB 3.5Å; R571-D574 PolarHBondContact O-N 2.93Å; R571-A577 VanDerWaalsContact O-CB 3.28Å; R571-A577 WeakPolarHBondContact O-CB 3.28Å
572	W	88.4	Confident	88.8	Confident	138 Å²	138	65.8 Å²	65.8	52%	0.523	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.9	176.3	-61.6	105.6	0	0	0	113.5	V581 F630 I633 A634	W572-V581 HydrophobicContact CE3-CG2 4.45Å; W572-V581 HydrophobicContact CZ3-CG2 4.11Å; W572-F630 HydrophobicContact CH2-CD1 4.4Å; W572-F630 HydrophobicContact CZ3-CD1 4.3Å; W572-I633 HydrophobicContact CD2-CG2 4.18Å; W572-I633 HydrophobicContact CE3-CG2 3.63Å; W572-I633 HydrophobicContact CH2-CB 4.29Å; W572-I633 HydrophobicContact CH2-CG2 4.03Å; W572-I633 HydrophobicContact CZ3-CB 4.06Å; W572-I633 HydrophobicContact CZ3-CG2 3.55Å; W572-A634 HydrophobicContact CH2-CB 4.32Å; W572-A634 HydrophobicContact CZ2-CB 3.88Å
573	E	87.8	Confident	89	Confident	164 Å²	164	66.4 Å²	66.4	77%	0.766	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.1	175.9	-67.9	157.2	-158.5	0	0	113	R571 I578	R571-E573 PolarHBondContact O-N 2.81Å; E573-I578 WeakPolarHBondContact O-CD1 3.44Å
574	D	88.3	Confident	89.3	Confident	38 Å²	38	61.2 Å²	61.2	20%	0.203	31%	0.314	C	S	.	.	S	Bend	trans	-70	140.3	-178.6	-66.6	-22.4	0	0	0	110.9	I570 R571 W576 A577 I578	I570-D574 WeakPolarHBondContact CA-OD2 3.09Å; I570-D574 HydrophobicContact CG2-CB 4.26Å; R571-D574 PolarHBondContact N-OD2 3.17Å; R571-D574 WeakPolarHBondContact O-CB 3.5Å; R571-D574 PolarHBondContact O-N 2.93Å; D574-W576 HydrophobicContact CB-CB 4.34Å; D574-W576 PolarHBondContact O-N 3.08Å; D574-W576 VanDerWaalsContact O-N 3.1Å; D574-A577 WeakPolarHBondContact O-CA 3.35Å; D574-A577 WeakPolarHBondContact O-CB 3.39Å; D574-A577 PolarHBondContact O-N 3.34Å; D574-I578 WeakPolarHBondContact O-CG1 3.35Å; D574-I578 PolarHBondContact O-N 3.46Å
575	A	88.1	Confident	89.8	Confident	81 Å²	81	59.9 Å²	59.9	67%	0.669	31%	0.311	S	S	*	.	H	α-helix	trans	-54.1	-32.6	171.8	0	0	0	0	0	112.7	A577 I578 G579	A575-A577 VanDerWaalsContact C-N 3.28Å; A575-A577 PolarHBondContact O-N 2.93Å; A575-I578 PolarHBondContact O-N 2.91Å; A575-G579 PolarHBondContact O-N 2.8Å
576	W	89.7	Confident	90.3	Very high	105 Å²	105	64.2 Å²	64.2	40%	0.398	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-29.3	173.8	-56.7	111.6	0	0	0	113.7	I570 D574 P580 R797 V798 T801	I570-W576 HydrophobicContact CG2-CB 4.44Å; D574-W576 HydrophobicContact CB-CB 4.34Å; D574-W576 PolarHBondContact O-N 3.08Å; D574-W576 VanDerWaalsContact O-N 3.1Å; W576-P580 WeakPolarHBondContact O-CD 3.47Å; W576-P580 WeakPolarHBondContact O-CG 3.49Å; W576-R797 HydrophobicContact CD2-CB 4.36Å; W576-R797 HydrophobicContact CG-CB 4.14Å; W576-V798 HydrophobicContact CH2-CG2 3.85Å; W576-V798 HydrophobicContact CZ2-CG2 4.44Å; W576-V798 HydrophobicContact CZ3-CG2 3.93Å; W576-T801 HydrophobicContact CE3-CG2 4.21Å; W576-T801 PolarHBondContact O-OG1 3.27Å
577	A	92.1	Very high	90.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-87.2	-43.3	174.3	0	0	0	0	0	112.5	I570 R571 D574 A575 G579 P580 V581 I633	I570-A577 HydrophobicContact CG2-CB 4.02Å; R571-A577 VanDerWaalsContact O-CB 3.28Å; R571-A577 WeakPolarHBondContact O-CB 3.28Å; D574-A577 WeakPolarHBondContact O-CA 3.35Å; D574-A577 WeakPolarHBondContact O-CB 3.39Å; D574-A577 PolarHBondContact O-N 3.34Å; A575-A577 VanDerWaalsContact C-N 3.28Å; A575-A577 PolarHBondContact O-N 2.93Å; A577-G579 PolarHBondContact O-N 3.19Å; A577-P580 WeakPolarHBondContact O-CD 3.28Å; A577-V581 WeakPolarHBondContact O-CB 3.36Å; A577-V581 VanDerWaalsContact O-CG2 3.25Å; A577-V581 WeakPolarHBondContact O-CG2 3.41Å; A577-V581 PolarHBondContact O-N 2.85Å; A577-V581 VanDerWaalsContact O-N 3.09Å; A577-I633 HydrophobicContact CB-CD1 4.28Å; A577-I633 HydrophobicContact CB-CG2 3.72Å
578	I	91.9	Very high	91.3	Very high	88 Å²	88	61.6 Å²	61.6	45%	0.451	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-42.8	-173	-65.8	165.8	0	0	0	111.8	E573 D574 A575 T582	E573-I578 WeakPolarHBondContact O-CD1 3.44Å; D574-I578 WeakPolarHBondContact O-CG1 3.35Å; D574-I578 PolarHBondContact O-N 3.46Å; A575-I578 PolarHBondContact O-N 2.91Å; I578-T582 HydrophobicContact CG2-CG2 4.39Å; I578-T582 WeakPolarHBondContact O-CG2 3.38Å; I578-T582 PolarHBondContact O-N 2.9Å; I578-T582 PolarHBondContact O-OG1 3.03Å
579	G	91.4	Very high	91.7	Very high	29 Å²	29	66.3 Å²	66.3	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-61	179.1	0	0	0	0	0	113.3	A575 A577 V581 T582 I583	A575-G579 PolarHBondContact O-N 2.8Å; A577-G579 PolarHBondContact O-N 3.19Å; G579-V581 PolarHBondContact O-N 3.37Å; G579-T582 PolarHBondContact O-N 2.92Å; G579-T582 PolarHBondContact O-OG1 3.07Å; G579-I583 WeakPolarHBondContact O-CG1 3.46Å; G579-I583 PolarHBondContact O-N 3.06Å
580	P	93.3	Very high	92	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-38.1	178.2	-23.6	32.8	0	0	0	114.3	W576 A577 I583 A584 T629 I633 T801 C804 I805	W576-P580 WeakPolarHBondContact O-CD 3.47Å; W576-P580 WeakPolarHBondContact O-CG 3.49Å; A577-P580 WeakPolarHBondContact O-CD 3.28Å; P580-I583 PolarHBondContact O-N 3.45Å; P580-A584 WeakPolarHBondContact O-CB 3.32Å; P580-A584 PolarHBondContact O-N 2.89Å; P580-T629 HydrophobicContact CB-CG2 3.76Å; P580-I633 HydrophobicContact CB-CD1 4.2Å; P580-T801 HydrophobicContact CG-CG2 3.72Å; P580-C804 HydrophobicContact CB-CB 3.63Å; P580-C804 HydrophobicContact CG-CB 4.19Å; P580-I805 HydrophobicContact CB-CG1 4.45Å; P580-I805 HydrophobicContact CG-CD1 4.42Å; P580-I805 HydrophobicContact CG-CG1 4.14Å
581	V	94.3	Very high	92.4	Very high	27 Å²	27	64.9 Å²	64.9	16%	0.164	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-45.6	-179.6	170	0	0	0	0	111.4	W572 A577 G579 I583 A584 C585 T629 F630 I633	W572-V581 HydrophobicContact CE3-CG2 4.45Å; W572-V581 HydrophobicContact CZ3-CG2 4.11Å; A577-V581 WeakPolarHBondContact O-CB 3.36Å; A577-V581 VanDerWaalsContact O-CG2 3.25Å; A577-V581 WeakPolarHBondContact O-CG2 3.41Å; A577-V581 PolarHBondContact O-N 2.85Å; A577-V581 VanDerWaalsContact O-N 3.09Å; G579-V581 PolarHBondContact O-N 3.37Å; V581-I583 VanDerWaalsContact C-N 3.34Å; V581-I583 PolarHBondContact O-N 2.85Å; V581-A584 PolarHBondContact O-N 3.32Å; V581-C585 WeakPolarHBondContact O-CB 3.46Å; V581-C585 PolarHBondContact O-N 2.74Å; V581-C585 PolarHBondContact O-SG 3.29Å; V581-T629 HydrophobicContact CG2-CG2 4.48Å; V581-F630 HydrophobicContact CG1-CE1 3.98Å; V581-F630 HydrophobicContact CG1-CZ 4.38Å; V581-I633 HydrophobicContact CG2-CD1 3.61Å
582	T	93.9	Very high	92.6	Very high	81 Å²	81	61.1 Å²	61.1	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40.5	179	51.3	0	0	0	0	112.1	I578 G579 L586	I578-T582 HydrophobicContact CG2-CG2 4.39Å; I578-T582 WeakPolarHBondContact O-CG2 3.38Å; I578-T582 PolarHBondContact O-N 2.9Å; I578-T582 PolarHBondContact O-OG1 3.03Å; G579-T582 PolarHBondContact O-N 2.92Å; G579-T582 PolarHBondContact O-OG1 3.07Å; T582-L586 PolarHBondContact O-N 3.14Å; T582-L586 VanDerWaalsContact O-N 3.1Å
583	I	94.6	Very high	92.8	Very high	60 Å²	60	59.7 Å²	59.7	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-44.8	173.8	-66.7	169.6	0	0	0	111.1	G579 P580 V581 L586 G587 I805 F812	G579-I583 WeakPolarHBondContact O-CG1 3.46Å; G579-I583 PolarHBondContact O-N 3.06Å; P580-I583 PolarHBondContact O-N 3.45Å; V581-I583 VanDerWaalsContact C-N 3.34Å; V581-I583 PolarHBondContact O-N 2.85Å; I583-L586 PolarHBondContact O-N 3.34Å; I583-G587 PolarHBondContact O-N 3.07Å; I583-G587 VanDerWaalsContact O-N 3.07Å; I583-I805 HydrophobicContact CD1-CG1 4.43Å; I583-F812 HydrophobicContact CG2-CD2 4.49Å; I583-F812 HydrophobicContact CG2-CE2 3.75Å; I583-F812 WeakPolarHBondContact O-CE2 3.47Å
584	A	95.5	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-42	179.4	0	0	0	0	0	112.7	P580 V581 L586 G587 F588 Y626 T629 F630	P580-A584 WeakPolarHBondContact O-CB 3.32Å; P580-A584 PolarHBondContact O-N 2.89Å; V581-A584 PolarHBondContact O-N 3.32Å; A584-L586 PolarHBondContact O-N 3.4Å; A584-G587 PolarHBondContact O-N 3.1Å; A584-F588 WeakPolarHBondContact O-CB 3.25Å; A584-F588 PolarHBondContact O-N 3.26Å; A584-Y626 HydrophobicContact CB-CD1 4.49Å; A584-T629 HydrophobicContact CB-CG2 3.94Å; A584-F630 HydrophobicContact CB-CE2 4.31Å
585	C	95.3	Very high	93.2	Very high	55 Å²	55	52.9 Å²	52.9	37%	0.372	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-47.4	173.8	-75.1	0	0	0	0	111.9	V581 G587 F588 M589	V581-C585 WeakPolarHBondContact O-CB 3.46Å; V581-C585 PolarHBondContact O-N 2.74Å; V581-C585 PolarHBondContact O-SG 3.29Å; C585-G587 VanDerWaalsContact C-N 3.34Å; C585-G587 PolarHBondContact O-N 3.46Å; C585-F588 PolarHBondContact O-N 3.02Å; C585-M589 WeakPolarHBondContact O-CB 3.38Å; C585-M589 WeakPolarHBondContact O-CG 3.37Å; C585-M589 PolarHBondContact O-N 2.82Å
586	L	95.5	Very high	93.4	Very high	106 Å²	106	53.4 Å²	53.4	56%	0.555	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-43.4	177.5	179.9	62.1	0	0	0	111.5	T582 I583 A584 M589 C590 F812	T582-L586 PolarHBondContact O-N 3.14Å; T582-L586 VanDerWaalsContact O-N 3.1Å; I583-L586 PolarHBondContact O-N 3.34Å; A584-L586 PolarHBondContact O-N 3.4Å; L586-M589 PolarHBondContact O-N 2.94Å; L586-C590 WeakPolarHBondContact O-CB 3.34Å; L586-C590 PolarHBondContact O-N 2.83Å; L586-C590 PolarHBondContact O-SG 3.32Å; L586-C590 VanDerWaalsContact O-SG 3.34Å; L586-F812 HydrophobicContact CB-CZ 4.38Å; L586-F812 HydrophobicContact CD2-CZ 4.47Å; L586-F812 HydrophobicContact CG-CZ 4.27Å
587	G	94.1	Very high	93.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-42	177.9	0	0	0	0	0	113.4	I583 A584 C585 C590 T591 Y626	I583-G587 PolarHBondContact O-N 3.07Å; I583-G587 VanDerWaalsContact O-N 3.07Å; A584-G587 PolarHBondContact O-N 3.1Å; C585-G587 VanDerWaalsContact C-N 3.34Å; C585-G587 PolarHBondContact O-N 3.46Å; G587-C590 PolarHBondContact O-N 2.76Å; G587-T591 WeakPolarHBondContact O-CB 3.41Å; G587-T591 PolarHBondContact O-N 2.86Å; G587-T591 PolarHBondContact O-OG1 3.15Å; G587-Y626 WeakPolarHBondContact O-CE2 3.44Å
588	F	95.1	Very high	93.2	Very high	85 Å²	85	49.4 Å²	49.4	37%	0.373	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-47.2	175.5	-170	-93.6	0	0	0	111.5	A584 C585 C590 T591 C592	A584-F588 WeakPolarHBondContact O-CB 3.25Å; A584-F588 PolarHBondContact O-N 3.26Å; C585-F588 PolarHBondContact O-N 3.02Å; F588-C590 PolarHBondContact O-N 2.94Å; F588-T591 WeakPolarHBondContact O-CA 3.41Å; F588-T591 WeakPolarHBondContact O-CB 3.48Å; F588-T591 PolarHBondContact O-N 3.21Å; F588-C592 PolarHBondContact O-N 2.83Å; F588-C592 PolarHBondContact O-SG 3.1Å
589	M	94.8	Very high	93.1	Very high	132 Å²	132	50.1 Å²	50.1	65%	0.65	28%	0.281	S	S	*	.	H	α-helix	trans	-59.2	-44.5	175.8	-73.1	-62.8	-68.5	0	0	112.3	C585 L586 T591 C592 M593	C585-M589 WeakPolarHBondContact O-CB 3.38Å; C585-M589 WeakPolarHBondContact O-CG 3.37Å; C585-M589 PolarHBondContact O-N 2.82Å; L586-M589 PolarHBondContact O-N 2.94Å; M589-T591 VanDerWaalsContact C-N 3.32Å; M589-T591 PolarHBondContact O-N 3.38Å; M589-C592 PolarHBondContact O-N 2.81Å; M589-M593 PolarHBondContact O-N 3.23Å
590	C	93.6	Very high	92.9	Very high	43 Å²	43	56.8 Å²	56.8	29%	0.291	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-40.7	172.9	-75.6	0	0	0	0	112.1	L586 G587 F588 M593 V594 L815	L586-C590 WeakPolarHBondContact O-CB 3.34Å; L586-C590 PolarHBondContact O-N 2.83Å; L586-C590 PolarHBondContact O-SG 3.32Å; L586-C590 VanDerWaalsContact O-SG 3.34Å; G587-C590 PolarHBondContact O-N 2.76Å; F588-C590 PolarHBondContact O-N 2.94Å; C590-M593 PolarHBondContact O-N 3.48Å; C590-V594 WeakPolarHBondContact O-CG2 3.44Å; C590-V594 PolarHBondContact O-N 3.42Å; C590-L815 HydrophobicContact CB-CD1 4.02Å
591	T	94.2	Very high	92.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-46.6	177	-53.7	0	0	0	0	111.3	G587 F588 M589 M593 V594 I595 L619 V622 Y626	G587-T591 WeakPolarHBondContact O-CB 3.41Å; G587-T591 PolarHBondContact O-N 2.86Å; G587-T591 PolarHBondContact O-OG1 3.15Å; F588-T591 WeakPolarHBondContact O-CA 3.41Å; F588-T591 WeakPolarHBondContact O-CB 3.48Å; F588-T591 PolarHBondContact O-N 3.21Å; M589-T591 VanDerWaalsContact C-N 3.32Å; M589-T591 PolarHBondContact O-N 3.38Å; T591-M593 VanDerWaalsContact C-N 3.32Å; T591-M593 PolarHBondContact O-N 3.43Å; T591-V594 PolarHBondContact O-N 3.33Å; T591-I595 HydrophobicContact CG2-CD1 3.97Å; T591-I595 WeakPolarHBondContact O-CG1 3.3Å; T591-I595 PolarHBondContact O-N 2.95Å; T591-L619 HydrophobicContact CG2-CD2 4.33Å; T591-V622 HydrophobicContact CG2-CG1 4.3Å; T591-Y626 WeakPolarHBondContact OG1-CE2 3.16Å
592	C	93.6	Very high	92.1	Very high	48 Å²	48	60 Å²	60	32%	0.324	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-38.4	175.7	-67.8	0	0	0	0	112.4	F588 M589 T596	F588-C592 PolarHBondContact O-N 2.83Å; F588-C592 PolarHBondContact O-SG 3.1Å; M589-C592 PolarHBondContact O-N 2.81Å; C592-T596 WeakPolarHBondContact O-CB 3.46Å; C592-T596 PolarHBondContact O-N 3.43Å; C592-T596 PolarHBondContact O-OG1 3.02Å
593	M	92.6	Very high	91.5	Very high	108 Å²	108	62.3 Å²	62.3	53%	0.532	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.4	-173.2	-174.5	70.6	0	0	111.6	M589 C590 T591 T596 V597	M589-M593 PolarHBondContact O-N 3.23Å; C590-M593 PolarHBondContact O-N 3.48Å; T591-M593 VanDerWaalsContact C-N 3.32Å; T591-M593 PolarHBondContact O-N 3.43Å; M593-T596 PolarHBondContact O-N 3.09Å; M593-V597 WeakPolarHBondContact O-CG2 3.23Å; M593-V597 PolarHBondContact O-N 3.24Å
594	V	92.5	Very high	90.9	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-45.9	177.5	176	0	0	0	0	111.1	C590 T591 T596 V597 F598 L619 L815 F819 V823	C590-V594 WeakPolarHBondContact O-CG2 3.44Å; C590-V594 PolarHBondContact O-N 3.42Å; T591-V594 PolarHBondContact O-N 3.33Å; V594-T596 VanDerWaalsContact C-N 3.34Å; V594-T596 PolarHBondContact O-N 2.92Å; V594-V597 PolarHBondContact O-N 2.79Å; V594-F598 HydrophobicContact CG1-CD2 4.01Å; V594-F598 HydrophobicContact CG1-CE2 4.07Å; V594-F598 VanDerWaalsContact O-CD2 3.32Å; V594-F598 WeakPolarHBondContact O-CD2 3.3Å; V594-F598 PolarHBondContact O-N 3.21Å; V594-L619 HydrophobicContact CB-CD2 4.28Å; V594-L619 HydrophobicContact CG1-CD1 3.99Å; V594-L619 HydrophobicContact CG1-CD2 3.77Å; V594-L815 HydrophobicContact CG2-CD2 4.36Å; V594-F819 HydrophobicContact CG1-CB 3.96Å; V594-F819 HydrophobicContact CG1-CD1 3.77Å; V594-F819 HydrophobicContact CG1-CG 4.01Å; V594-V823 HydrophobicContact CG1-CG2 4.18Å; V594-V823 HydrophobicContact CG2-CG2 4.21Å
595	I	91.9	Very high	90	Very high	49 Å²	49	62.8 Å²	62.8	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-57.2	-47.4	175.7	-70	168.1	0	0	0	110.6	T591 V597 F598 I599 L619	T591-I595 HydrophobicContact CG2-CD1 3.97Å; T591-I595 WeakPolarHBondContact O-CG1 3.3Å; T591-I595 PolarHBondContact O-N 2.95Å; I595-V597 PolarHBondContact O-N 3.5Å; I595-F598 PolarHBondContact O-N 3.22Å; I595-I599 HydrophobicContact CG2-CD1 3.62Å; I595-I599 HydrophobicContact CG2-CG1 4.31Å; I595-I599 WeakPolarHBondContact O-CG1 3.38Å; I595-I599 PolarHBondContact O-N 3.11Å; I595-L619 HydrophobicContact CD1-CB 4.15Å; I595-L619 HydrophobicContact CG1-CB 3.87Å; I595-L619 HydrophobicContact CG1-CD1 3.89Å; I595-L619 HydrophobicContact CG1-CG 4.32Å
596	T	90.8	Very high	89.3	Confident	92 Å²	92	62.2 Å²	62.2	56%	0.564	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-43.1	-179.5	-56.8	0	0	0	0	112.1	C592 M593 V594 I599 K600	C592-T596 WeakPolarHBondContact O-CB 3.46Å; C592-T596 PolarHBondContact O-N 3.43Å; C592-T596 PolarHBondContact O-OG1 3.02Å; M593-T596 PolarHBondContact O-N 3.09Å; V594-T596 VanDerWaalsContact C-N 3.34Å; V594-T596 PolarHBondContact O-N 2.92Å; T596-I599 PolarHBondContact O-N 3.27Å; T596-K600 WeakPolarHBondContact O-CB 3.45Å; T596-K600 PolarHBondContact O-N 2.65Å
597	V	90.1	Very high	88.7	Confident	18 Å²	18	57.3 Å²	57.3	11%	0.109	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-42.5	175.2	172.8	0	0	0	0	111.2	M593 V594 I595 K600 H601 V823 I826 L827	M593-V597 WeakPolarHBondContact O-CG2 3.23Å; M593-V597 PolarHBondContact O-N 3.24Å; V594-V597 PolarHBondContact O-N 2.79Å; I595-V597 PolarHBondContact O-N 3.5Å; V597-K600 PolarHBondContact O-N 2.9Å; V597-H601 WeakPolarHBondContact O-CB 3.31Å; V597-H601 PolarHBondContact O-CD2 3.28Å; V597-H601 PolarHBondContact O-N 3.05Å; V597-V823 HydrophobicContact CG1-CG1 4.49Å; V597-I826 HydrophobicContact CG1-CB 4.42Å; V597-I826 HydrophobicContact CG1-CG2 3.79Å; V597-L827 HydrophobicContact CG1-CD2 4.28Å; V597-L827 HydrophobicContact CG1-CG 4.47Å; V597-L827 HydrophobicContact CG2-CD1 4.38Å; V597-L827 HydrophobicContact CG2-CD2 4.4Å
598	F	88.6	Confident	88	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.013	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-39.4	179	-89.4	-120.1	0	0	0	112.4	V594 I595 H601 N602 V607 C615 Y616 F819 K822 V823 I826	V594-F598 HydrophobicContact CG1-CD2 4.01Å; V594-F598 HydrophobicContact CG1-CE2 4.07Å; V594-F598 VanDerWaalsContact O-CD2 3.32Å; V594-F598 WeakPolarHBondContact O-CD2 3.3Å; V594-F598 PolarHBondContact O-N 3.21Å; I595-F598 PolarHBondContact O-N 3.22Å; F598-H601 CarbonylContact O-C 3.53Å; F598-N602 WeakPolarHBondContact O-CA 3.47Å; F598-N602 VanDerWaalsContact O-CB 3.32Å; F598-N602 WeakPolarHBondContact O-CB 3.26Å; F598-N602 PolarHBondContact O-N 2.95Å; F598-V607 HydrophobicContact CD1-CG1 4.03Å; F598-V607 HydrophobicContact CD1-CG2 4.33Å; F598-V607 HydrophobicContact CE1-CG1 4.44Å; F598-V607 HydrophobicContact CE1-CG2 4.4Å; F598-C615 HydrophobicContact CE1-CB 4.41Å; F598-Y616 HydrophobicContact CB-CE1 3.98Å; F598-Y616 PolarHBondContact O-OH 3.47Å; F598-F819 HydrophobicContact CE1-CD1 4.2Å; F598-F819 HydrophobicContact CE1-CE1 4.02Å; F598-F819 HydrophobicContact CE2-CD1 4.02Å; F598-F819 AromaticContact CZ-CD1 3.66Å; F598-F819 HydrophobicContact CZ-CD1 3.66Å; F598-F819 AromaticContact CZ-CE1 3.96Å; F598-F819 HydrophobicContact CZ-CE1 3.96Å; F598-K822 HydrophobicContact CZ-CB 4.27Å; F598-K822 HydrophobicContact CZ-CD 4.22Å; F598-V823 HydrophobicContact CE2-CG2 3.98Å; F598-I826 HydrophobicContact CE2-CD1 4.24Å
599	I	88.9	Confident	87	Confident	103 Å²	103	62.3 Å²	62.3	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-42.7	175.1	-68.4	172.1	0	0	0	111	I595 T596 H601 N602 Y616	I595-I599 HydrophobicContact CG2-CD1 3.62Å; I595-I599 HydrophobicContact CG2-CG1 4.31Å; I595-I599 WeakPolarHBondContact O-CG1 3.38Å; I595-I599 PolarHBondContact O-N 3.11Å; T596-I599 PolarHBondContact O-N 3.27Å; I599-H601 PolarHBondContact O-N 2.99Å; I599-N602 VanDerWaalsContact O-CB 3.22Å; I599-N602 WeakPolarHBondContact O-CB 3.42Å; I599-N602 PolarHBondContact O-N 3.28Å; I599-Y616 HydrophobicContact CG1-CE1 3.93Å; I599-Y616 PolarHBondContact N-OH 3.39Å
600	K	88.9	Confident	86.2	Confident	170 Å²	170	56.2 Å²	56.2	74%	0.739	31%	0.308	S	S	*	.	H	α-helix	trans	-65.2	-39.8	178.2	-172.8	176.4	-178.5	178.8	0	112.4	T596 V597	T596-K600 WeakPolarHBondContact O-CB 3.45Å; T596-K600 PolarHBondContact O-N 2.65Å; V597-K600 PolarHBondContact O-N 2.9Å
601	H	85.9	Confident	85.6	Confident	56 Å²	56	55.2 Å²	55.2	26%	0.259	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	22.1	-178.3	-64.6	-84.7	0	0	0	113.4	V597 F598 I599 N603 T604 I826	V597-H601 WeakPolarHBondContact O-CB 3.31Å; V597-H601 PolarHBondContact O-CD2 3.28Å; V597-H601 PolarHBondContact O-N 3.05Å; F598-H601 CarbonylContact O-C 3.53Å; I599-H601 PolarHBondContact O-N 2.99Å; H601-N603 PolarHBondContact O-N 3.26Å; H601-T604 HydrophobicContact CB-CG2 3.96Å; H601-T604 WeakPolarHBondContact O-CB 3.02Å; H601-T604 WeakPolarHBondContact O-CG2 3.48Å; H601-T604 PolarHBondContact O-N 2.81Å; H601-T604 PolarHBondContact O-OG1 2.9Å; H601-I826 HydrophobicContact CB-CG2 3.87Å
602	N	84.2	Confident	85.1	Confident	40 Å²	40	59.2 Å²	59.2	21%	0.214	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.5	-172.5	-161.3	32.2	0	0	0	114.8	F598 I599 R612 Y616	F598-N602 WeakPolarHBondContact O-CA 3.47Å; F598-N602 VanDerWaalsContact O-CB 3.32Å; F598-N602 WeakPolarHBondContact O-CB 3.26Å; F598-N602 PolarHBondContact O-N 2.95Å; I599-N602 VanDerWaalsContact O-CB 3.22Å; I599-N602 WeakPolarHBondContact O-CB 3.42Å; I599-N602 PolarHBondContact O-N 3.28Å; N602-R612 WeakPolarHBondContact OD1-CD 3.41Å; N602-Y616 PolarHBondContact OD1-OH 2.88Å
603	N	80.3	Confident	84.9	Confident	129 Å²	129	60.2 Å²	60.2	69%	0.69	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.9	178	-94.6	-42.7	0	0	0	114.9	H601 K608	H601-N603 PolarHBondContact O-N 3.26Å; N603-K608 WeakPolarHBondContact O-CE 3.49Å; N603-K608 PolarHBondContact O-NZ 3.3Å; N603-K608 WeakPolarHBondContact OD1-CE 3.05Å; N603-K608 PolarHBondContact OD1-NZ 3.46Å
604	T	82.4	Confident	84.7	Confident	27 Å²	27	55.2 Å²	55.2	17%	0.166	30%	0.295	C	S	.	.	S	Bend	trans	-70.1	150.6	-176.3	62.1	0	0	0	0	113	H601 L606 V607 K608 N833	H601-T604 HydrophobicContact CB-CG2 3.96Å; H601-T604 WeakPolarHBondContact O-CB 3.02Å; H601-T604 WeakPolarHBondContact O-CG2 3.48Å; H601-T604 PolarHBondContact O-N 2.81Å; H601-T604 PolarHBondContact O-OG1 2.9Å; T604-L606 VanDerWaalsContact C-N 3.31Å; T604-L606 PolarHBondContact O-N 2.04Å; T604-V607 PolarHBondContact O-N 3.44Å; T604-V607 WeakPolarHBondContact OG1-CG2 3.4Å; T604-K608 PolarHBondContact O-N 3.36Å; T604-N833 WeakPolarHBondContact CB-ND2 3.48Å
605	P	76.5	Confident	84.7	Confident	42 Å²	42	54.9 Å²	54.9	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-64.8	-32.5	-176.1	25.3	-34.1	0	0	0	112.9	K608 A609 N833 V835	P605-K608 PolarHBondContact O-N 3.39Å; P605-A609 WeakPolarHBondContact O-CB 3.27Å; P605-A609 PolarHBondContact O-N 3.15Å; P605-N833 WeakPolarHBondContact CD-O 3.42Å; P605-N833 WeakPolarHBondContact CD-OD1 3.37Å; P605-N833 WeakPolarHBondContact CG-O 3.3Å; P605-V835 HydrophobicContact CB-CG2 3.86Å; P605-V835 HydrophobicContact CG-CG2 4.2Å
606	L	80.8	Confident	84.7	Confident	44 Å²	44	55 Å²	55	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-48.8	176.7	-176	66.5	0	0	0	112.3	T604 K608 A609 S610 K822 I825 I826 N833	T604-L606 VanDerWaalsContact C-N 3.31Å; T604-L606 PolarHBondContact O-N 2.04Å; L606-K608 VanDerWaalsContact C-N 3.34Å; L606-K608 PolarHBondContact O-N 3.28Å; L606-A609 PolarHBondContact O-N 3.14Å; L606-S610 PolarHBondContact O-N 3.18Å; L606-K822 HydrophobicContact CD2-CB 4.5Å; L606-I825 HydrophobicContact CD2-CB 4.13Å; L606-I825 HydrophobicContact CD2-CG2 3.81Å; L606-I826 HydrophobicContact CD2-CD1 4.44Å; L606-I826 HydrophobicContact CD2-CG1 4.03Å; L606-N833 VanDerWaalsContact CB-OD1 3.22Å; L606-N833 WeakPolarHBondContact CB-OD1 3.41Å; L606-N833 PolarHBondContact N-OD1 3.24Å; L606-N833 VanDerWaalsContact N-OD1 3.17Å
607	V	82.5	Confident	84.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-38.2	-180	177.8	0	0	0	0	111.1	F598 T604 I826	F598-V607 HydrophobicContact CD1-CG1 4.03Å; F598-V607 HydrophobicContact CD1-CG2 4.33Å; F598-V607 HydrophobicContact CE1-CG1 4.44Å; F598-V607 HydrophobicContact CE1-CG2 4.4Å; T604-V607 PolarHBondContact O-N 3.44Å; T604-V607 WeakPolarHBondContact OG1-CG2 3.4Å; V607-I826 HydrophobicContact CG2-CD1 3.84Å
608	K	79.6	Confident	85	Confident	105 Å²	105	51.5 Å²	51.5	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-43	174.9	-74.8	172	174.5	161.6	0	112.4	N603 T604 P605 L606 G611	N603-K608 WeakPolarHBondContact O-CE 3.49Å; N603-K608 PolarHBondContact O-NZ 3.3Å; N603-K608 WeakPolarHBondContact OD1-CE 3.05Å; N603-K608 PolarHBondContact OD1-NZ 3.46Å; T604-K608 PolarHBondContact O-N 3.36Å; P605-K608 PolarHBondContact O-N 3.39Å; L606-K608 VanDerWaalsContact C-N 3.34Å; L606-K608 PolarHBondContact O-N 3.28Å; K608-G611 PolarHBondContact O-N 3.25Å
609	A	74.3	Confident	85.2	Confident	85 Å²	85	51.4 Å²	51.4	70%	0.702	27%	0.267	S	S	*	.	H	α-helix	trans	-66.7	-38.1	180	0	0	0	0	0	113	P605 L606 G611	P605-A609 WeakPolarHBondContact O-CB 3.27Å; P605-A609 PolarHBondContact O-N 3.15Å; L606-A609 PolarHBondContact O-N 3.14Å; A609-G611 PolarHBondContact O-N 3.02Å
610	S	77.2	Confident	85.5	Confident	5 Å²	5	52.8 Å²	52.8	4%	0.035	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	1	177.4	-79.4	0	0	0	0	115	L606 C615 K662 E767 K822	L606-S610 PolarHBondContact O-N 3.18Å; S610-C615 PolarHBondContact O-SG 3.47Å; S610-C615 VanDerWaalsContact O-SG 3.38Å; S610-K662 WeakPolarHBondContact O-CE 3.35Å; S610-K662 PolarHBondContact O-NZ 3.35Å; S610-E767 VanDerWaalsContact OG-CD 3.29Å; S610-E767 PolarHBondContact OG-OE1 3.37Å; S610-E767 PolarHBondContact OG-OE2 2.97Å; S610-K822 PolarHBondContact OG-NZ 3.35Å
611	G	82.3	Confident	85.7	Confident	21 Å²	21	44.7 Å²	44.7	22%	0.216	23%	0.234	C	C	.	.			trans	75.8	77.4	179.8	0	0	0	0	0	112.6	K608 A609 E613 L614 C615	K608-G611 PolarHBondContact O-N 3.25Å; A609-G611 PolarHBondContact O-N 3.02Å; G611-E613 PolarHBondContact O-N 3.44Å; G611-L614 PolarHBondContact O-N 3.23Å; G611-C615 PolarHBondContact O-N 2.97Å; G611-C615 PolarHBondContact O-SG 3.07Å
612	R	84.4	Confident	86.1	Confident	87 Å²	87	42 Å²	42	33%	0.328	22%	0.221	S	C	.	.	H	α-helix	trans	-40.6	-59.2	-177.1	179.5	177.3	66.6	-176.7	7	114.7	N602 L614 C615 Y616	N602-R612 WeakPolarHBondContact OD1-CD 3.41Å; R612-L614 PolarHBondContact O-N 2.93Å; R612-C615 WeakPolarHBondContact O-CA 3.48Å; R612-C615 WeakPolarHBondContact O-CB 3.49Å; R612-C615 PolarHBondContact O-N 2.99Å; R612-Y616 HydrophobicContact CG-CD2 3.85Å; R612-Y616 HydrophobicContact CG-CE2 3.38Å; R612-Y616 PolarHBondContact O-N 3.35Å; R612-Y616 VanDerWaalsContact O-N 3.12Å
613	E	89.3	Confident	86.6	Confident	68 Å²	68	40.6 Å²	40.6	32%	0.318	22%	0.216	S	C	.	.	H	α-helix	trans	-65.3	-40.6	-168.9	-38.5	-48.9	163.7	0	0	112	G611 C615 Y616 I617 V689	G611-E613 PolarHBondContact O-N 3.44Å; E613-C615 PolarHBondContact O-N 3.43Å; E613-Y616 PolarHBondContact O-N 3.43Å; E613-I617 WeakPolarHBondContact O-CG1 3.33Å; E613-I617 PolarHBondContact O-N 2.99Å; E613-V689 HydrophobicContact CB-CG2 3.55Å; E613-V689 HydrophobicContact CG-CG2 4.07Å
614	L	88.6	Confident	87.2	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-29.8	174.4	-61.9	-176.8	0	0	0	112.3	G611 R612 L618 T661 K662 Q688 C692	G611-L614 PolarHBondContact O-N 3.23Å; R612-L614 PolarHBondContact O-N 2.93Å; L614-L618 VanDerWaalsContact O-CB 3.27Å; L614-L618 WeakPolarHBondContact O-CB 3.37Å; L614-L618 PolarHBondContact O-N 3.27Å; L614-T661 HydrophobicContact CD1-CG2 3.86Å; L614-T661 HydrophobicContact CD2-CG2 4.01Å; L614-K662 HydrophobicContact CD1-CB 4Å; L614-Q688 HydrophobicContact CD1-CB 4.19Å; L614-Q688 HydrophobicContact CD2-CB 4.44Å; L614-Q688 HydrophobicContact CG-CB 4.5Å; L614-C692 HydrophobicContact CD2-CB 3.83Å
615	C	90.8	Very high	87.7	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-72.8	-35.9	176.7	-63	0	0	0	0	111.6	F598 S610 G611 R612 E613 L619 K662 F819	F598-C615 HydrophobicContact CE1-CB 4.41Å; S610-C615 PolarHBondContact O-SG 3.47Å; S610-C615 VanDerWaalsContact O-SG 3.38Å; G611-C615 PolarHBondContact O-N 2.97Å; G611-C615 PolarHBondContact O-SG 3.07Å; R612-C615 WeakPolarHBondContact O-CA 3.48Å; R612-C615 WeakPolarHBondContact O-CB 3.49Å; R612-C615 PolarHBondContact O-N 2.99Å; E613-C615 PolarHBondContact O-N 3.43Å; C615-L619 WeakPolarHBondContact O-CB 3.42Å; C615-L619 WeakPolarHBondContact O-CD1 3.48Å; C615-L619 VanDerWaalsContact O-CG 3.27Å; C615-L619 WeakPolarHBondContact O-CG 3.44Å; C615-L619 PolarHBondContact O-N 3.48Å; C615-K662 PolarHBondContact SG-NZ 2.91Å; C615-K662 VanDerWaalsContact SG-NZ 3.36Å; C615-F819 HydrophobicContact CB-CE1 4.19Å; C615-F819 HydrophobicContact CB-CZ 4.36Å
616	Y	92.1	Very high	88.6	Confident	53 Å²	53	33.3 Å²	33.3	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-70.4	-40.2	172.3	-67.4	-51.6	0	0	0	112.4	F598 I599 N602 R612 E613 L618 L619 F620	F598-Y616 HydrophobicContact CB-CE1 3.98Å; F598-Y616 PolarHBondContact O-OH 3.47Å; I599-Y616 HydrophobicContact CG1-CE1 3.93Å; I599-Y616 PolarHBondContact N-OH 3.39Å; N602-Y616 PolarHBondContact OD1-OH 2.88Å; R612-Y616 HydrophobicContact CG-CD2 3.85Å; R612-Y616 HydrophobicContact CG-CE2 3.38Å; R612-Y616 PolarHBondContact O-N 3.35Å; R612-Y616 VanDerWaalsContact O-N 3.12Å; E613-Y616 PolarHBondContact O-N 3.43Å; Y616-L618 VanDerWaalsContact C-N 3.33Å; Y616-L618 PolarHBondContact O-N 3.06Å; Y616-L619 PolarHBondContact O-N 3.34Å; Y616-F620 WeakPolarHBondContact O-CB 3.33Å; Y616-F620 PolarHBondContact O-N 3.4Å
617	I	93.8	Very high	89.2	Confident	34 Å²	34	33.1 Å²	33.1	17%	0.174	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-44.3	173.6	-65.4	166	0	0	0	110.6	E613 F620 G621 I654 A658 V689 I696	E613-I617 WeakPolarHBondContact O-CG1 3.33Å; E613-I617 PolarHBondContact O-N 2.99Å; I617-F620 PolarHBondContact O-N 3.18Å; I617-G621 PolarHBondContact O-N 3.34Å; I617-I654 HydrophobicContact CG2-CG2 3.85Å; I617-I654 VanDerWaalsContact O-CG2 3.26Å; I617-I654 WeakPolarHBondContact O-CG2 3.34Å; I617-A658 HydrophobicContact CG2-CB 4.26Å; I617-V689 HydrophobicContact CD1-CG1 4.36Å; I617-I696 HydrophobicContact CG2-CD1 4.08Å
618	L	93.2	Very high	89.7	Confident	2 Å²	2	33 Å²	33	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-44.6	176.1	-179.4	56.4	0	0	0	112.6	L614 Y616 F620 G621 V622 C655 A658 L659 V814 L818 F819	L614-L618 VanDerWaalsContact O-CB 3.27Å; L614-L618 WeakPolarHBondContact O-CB 3.37Å; L614-L618 PolarHBondContact O-N 3.27Å; Y616-L618 VanDerWaalsContact C-N 3.33Å; Y616-L618 PolarHBondContact O-N 3.06Å; L618-F620 VanDerWaalsContact C-N 3.31Å; L618-F620 PolarHBondContact O-N 2.69Å; L618-G621 PolarHBondContact O-N 3.07Å; L618-V622 WeakPolarHBondContact O-CG2 3.4Å; L618-V622 PolarHBondContact O-N 2.76Å; L618-C655 HydrophobicContact CD1-CB 3.91Å; L618-A658 HydrophobicContact CB-CB 3.94Å; L618-L659 HydrophobicContact CD1-CD1 4.28Å; L618-L659 HydrophobicContact CD1-CG 4.1Å; L618-L659 HydrophobicContact CD2-CD2 3.83Å; L618-L659 HydrophobicContact CD2-CG 4.13Å; L618-V814 HydrophobicContact CD1-CG1 4Å; L618-V814 HydrophobicContact CD2-CG1 4.04Å; L618-V814 HydrophobicContact CG-CG1 4.01Å; L618-L818 HydrophobicContact CD2-CD2 3.47Å; L618-L818 VanDerWaalsContact CD2-CD2 3.47Å; L618-F819 HydrophobicContact CD2-CE2 3.78Å; L618-F819 HydrophobicContact CD2-CZ 3.99Å; L618-F819 HydrophobicContact CG-CE2 4.06Å; L618-F819 HydrophobicContact CG-CZ 4.29Å
619	L	93.7	Very high	90.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-32.1	177.2	-73	165.6	0	0	0	112.5	T591 V594 I595 C615 Y616 G623 L815 F819	T591-L619 HydrophobicContact CG2-CD2 4.33Å; V594-L619 HydrophobicContact CB-CD2 4.28Å; V594-L619 HydrophobicContact CG1-CD1 3.99Å; V594-L619 HydrophobicContact CG1-CD2 3.77Å; I595-L619 HydrophobicContact CD1-CB 4.15Å; I595-L619 HydrophobicContact CG1-CB 3.87Å; I595-L619 HydrophobicContact CG1-CD1 3.89Å; I595-L619 HydrophobicContact CG1-CG 4.32Å; C615-L619 WeakPolarHBondContact O-CB 3.42Å; C615-L619 WeakPolarHBondContact O-CD1 3.48Å; C615-L619 VanDerWaalsContact O-CG 3.27Å; C615-L619 WeakPolarHBondContact O-CG 3.44Å; C615-L619 PolarHBondContact O-N 3.48Å; Y616-L619 PolarHBondContact O-N 3.34Å; L619-G623 PolarHBondContact O-N 3.03Å; L619-L815 HydrophobicContact CD2-CD2 4.02Å; L619-F819 HydrophobicContact CD1-CD1 4.37Å; L619-F819 HydrophobicContact CD1-CE1 3.77Å; L619-F819 HydrophobicContact CD1-CZ 4.03Å; L619-F819 HydrophobicContact CD2-CD1 4.27Å; L619-F819 HydrophobicContact CD2-CD2 4.06Å; L619-F819 HydrophobicContact CD2-CE1 4.06Å; L619-F819 HydrophobicContact CD2-CE2 3.83Å; L619-F819 HydrophobicContact CD2-CG 4.27Å; L619-F819 HydrophobicContact CD2-CZ 3.83Å; L619-F819 HydrophobicContact CG-CE1 3.87Å; L619-F819 HydrophobicContact CG-CE2 4.08Å; L619-F819 HydrophobicContact CG-CZ 3.61Å
620	F	94.7	Very high	91.2	Very high	131 Å²	131	27.4 Å²	27.4	58%	0.575	14%	0.135	S	C	*	.	H	α-helix	trans	-66.2	-44.5	172	177.7	-102.4	0	0	0	111.9	Y616 I617 L618 V622 G623 L624 I654	Y616-F620 WeakPolarHBondContact O-CB 3.33Å; Y616-F620 PolarHBondContact O-N 3.4Å; I617-F620 PolarHBondContact O-N 3.18Å; L618-F620 VanDerWaalsContact C-N 3.31Å; L618-F620 PolarHBondContact O-N 2.69Å; F620-V622 PolarHBondContact O-N 3.13Å; F620-G623 PolarHBondContact O-N 3.26Å; F620-L624 WeakPolarHBondContact O-CB 3.41Å; F620-L624 PolarHBondContact O-N 3.37Å; F620-I654 HydrophobicContact CD1-CD1 4.3Å; F620-I654 HydrophobicContact CD1-CG2 4.47Å; F620-I654 HydrophobicContact CE1-CD1 4.14Å
621	G	93.8	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-42.6	173.7	0	0	0	0	0	112.8	I617 L618 L624 S625	I617-G621 PolarHBondContact O-N 3.34Å; L618-G621 PolarHBondContact O-N 3.07Å; G621-L624 PolarHBondContact O-N 3.43Å; G621-S625 PolarHBondContact O-N 3.11Å
622	V	94.4	Very high	92.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-46.2	174.9	170	0	0	0	0	111.1	T591 L618 F620 L624 S625 Y626 V814 L815	T591-V622 HydrophobicContact CG2-CG1 4.3Å; L618-V622 WeakPolarHBondContact O-CG2 3.4Å; L618-V622 PolarHBondContact O-N 2.76Å; F620-V622 PolarHBondContact O-N 3.13Å; V622-L624 VanDerWaalsContact C-N 3.34Å; V622-L624 PolarHBondContact O-N 3.2Å; V622-S625 PolarHBondContact O-N 3.32Å; V622-S625 VanDerWaalsContact O-N 3.16Å; V622-S625 PolarHBondContact O-OG 3.38Å; V622-Y626 HydrophobicContact CG1-CD2 4.18Å; V622-Y626 HydrophobicContact CG1-CE2 3.59Å; V622-Y626 VanDerWaalsContact O-CD2 3.24Å; V622-Y626 WeakPolarHBondContact O-CD2 3.37Å; V622-Y626 PolarHBondContact O-N 3.21Å; V622-V814 HydrophobicContact CG2-CB 3.91Å; V622-V814 HydrophobicContact CG2-CG1 3.73Å; V622-V814 HydrophobicContact CG2-CG2 4.42Å; V622-L815 HydrophobicContact CG1-CD1 4.38Å; V622-L815 HydrophobicContact CG1-CD2 4.08Å; V622-L815 HydrophobicContact CG1-CG 4.04Å
623	G	94.4	Very high	92.7	Very high	10 Å²	10	25.6 Å²	25.6	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-45.3	174.7	0	0	0	0	0	112.6	L619 F620 S625 Y626 C627	L619-G623 PolarHBondContact O-N 3.03Å; F620-G623 PolarHBondContact O-N 3.26Å; G623-S625 VanDerWaalsContact C-N 3.33Å; G623-S625 PolarHBondContact O-N 3.46Å; G623-Y626 PolarHBondContact O-N 3.1Å; G623-C627 PolarHBondContact O-N 3.2Å; G623-C627 PolarHBondContact O-SG 2.96Å; G623-C627 VanDerWaalsContact O-SG 3.36Å
624	L	92.9	Very high	92.8	Very high	45 Å²	45	23.2 Å²	23.2	24%	0.236	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-36.9	176.1	-176.2	61.7	0	0	0	112.4	F620 G621 V622 Y626 C627 M628 I654	F620-L624 WeakPolarHBondContact O-CB 3.41Å; F620-L624 PolarHBondContact O-N 3.37Å; G621-L624 PolarHBondContact O-N 3.43Å; V622-L624 VanDerWaalsContact C-N 3.34Å; V622-L624 PolarHBondContact O-N 3.2Å; L624-Y626 VanDerWaalsContact C-N 3.31Å; L624-Y626 PolarHBondContact O-N 2.89Å; L624-C627 WeakPolarHBondContact O-CB 3.33Å; L624-C627 PolarHBondContact O-N 3.39Å; L624-C627 VanDerWaalsContact O-N 3.14Å; L624-M628 WeakPolarHBondContact O-CG 3.46Å; L624-M628 PolarHBondContact O-N 3.33Å; L624-M628 VanDerWaalsContact O-N 3.15Å; L624-I654 HydrophobicContact CD2-CD1 4.1Å
625	S	93.5	Very high	92.9	Very high	1 Å²	1	27 Å²	27	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-36.9	177	76.8	0	0	0	0	112.5	G621 V622 G623 M628 V807	G621-S625 PolarHBondContact O-N 3.11Å; V622-S625 PolarHBondContact O-N 3.32Å; V622-S625 VanDerWaalsContact O-N 3.16Å; V622-S625 PolarHBondContact O-OG 3.38Å; G623-S625 VanDerWaalsContact C-N 3.33Å; G623-S625 PolarHBondContact O-N 3.46Å; S625-M628 WeakPolarHBondContact O-CB 3.5Å; S625-M628 PolarHBondContact O-N 3.24Å; S625-V807 VanDerWaalsContact O-CG1 3.29Å; S625-V807 WeakPolarHBondContact O-CG1 3.48Å
626	Y	95.4	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-35.2	173	-65.1	-60.5	0	0	0	112.6	A584 G587 T591 V622 G623 L624 M628 T629 S808 F812 L815	A584-Y626 HydrophobicContact CB-CD1 4.49Å; G587-Y626 WeakPolarHBondContact O-CE2 3.44Å; T591-Y626 WeakPolarHBondContact OG1-CE2 3.16Å; V622-Y626 HydrophobicContact CG1-CD2 4.18Å; V622-Y626 HydrophobicContact CG1-CE2 3.59Å; V622-Y626 VanDerWaalsContact O-CD2 3.24Å; V622-Y626 WeakPolarHBondContact O-CD2 3.37Å; V622-Y626 PolarHBondContact O-N 3.21Å; G623-Y626 PolarHBondContact O-N 3.1Å; L624-Y626 VanDerWaalsContact C-N 3.31Å; L624-Y626 PolarHBondContact O-N 2.89Å; Y626-M628 PolarHBondContact O-N 3.31Å; Y626-T629 PolarHBondContact O-N 2.78Å; Y626-S808 VanDerWaalsContact CE1-O 3.3Å; Y626-S808 WeakPolarHBondContact CE1-O 3.39Å; Y626-F812 AromaticContact CE1-CD2 3.89Å; Y626-F812 HydrophobicContact CE1-CD2 3.89Å; Y626-F812 AromaticContact CE1-CE2 3.72Å; Y626-F812 HydrophobicContact CE1-CE2 3.72Å; Y626-F812 HydrophobicContact CE1-CZ 4.34Å; Y626-F812 WeakPolarHBondContact OH-CA 3.4Å; Y626-F812 WeakPolarHBondContact OH-CD2 3.46Å; Y626-F812 VanDerWaalsContact OH-CG 3.26Å; Y626-F812 WeakPolarHBondContact OH-CG 3.48Å; Y626-F812 PolarHBondContact OH-N 2.91Å; Y626-L815 HydrophobicContact CE2-CD1 4.11Å
627	C	93.4	Very high	92.8	Very high	39 Å²	39	27 Å²	27	26%	0.264	14%	0.139	S	C	.	.	H	α-helix	trans	-61.2	-28.5	174	-64.9	0	0	0	0	112.9	G623 L624 T629 F630	G623-C627 PolarHBondContact O-N 3.2Å; G623-C627 PolarHBondContact O-SG 2.96Å; G623-C627 VanDerWaalsContact O-SG 3.36Å; L624-C627 WeakPolarHBondContact O-CB 3.33Å; L624-C627 PolarHBondContact O-N 3.39Å; L624-C627 VanDerWaalsContact O-N 3.14Å; C627-T629 VanDerWaalsContact C-N 3.29Å; C627-T629 PolarHBondContact O-N 2.72Å; C627-F630 PolarHBondContact O-N 3.05Å
628	M	92.3	Very high	92.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-36.4	-180	-68.4	-49.8	-58	0	0	113.5	L624 S625 Y626 F630 F631 F632 G647 L648 V807	L624-M628 WeakPolarHBondContact O-CG 3.46Å; L624-M628 PolarHBondContact O-N 3.33Å; L624-M628 VanDerWaalsContact O-N 3.15Å; S625-M628 WeakPolarHBondContact O-CB 3.5Å; S625-M628 PolarHBondContact O-N 3.24Å; Y626-M628 PolarHBondContact O-N 3.31Å; M628-F630 PolarHBondContact O-N 2.71Å; M628-F631 HydrophobicContact CE-CD2 4.25Å; M628-F631 PolarHBondContact O-N 3.41Å; M628-F631 HydrophobicContact SD-CD2 3.95Å; M628-F632 HydrophobicContact CB-CD2 4.24Å; M628-F632 HydrophobicContact CB-CE2 4.29Å; M628-F632 HydrophobicContact CE-CD2 4.26Å; M628-F632 HydrophobicContact CE-CE2 3.64Å; M628-F632 HydrophobicContact CE-CZ 4.41Å; M628-F632 VanDerWaalsContact O-CD2 3.27Å; M628-F632 WeakPolarHBondContact O-CD2 3.43Å; M628-F632 PolarHBondContact O-N 3.26Å; M628-G647 WeakPolarHBondContact SD-CA 3.4Å; M628-L648 HydrophobicContact CE-CB 4.45Å; M628-V807 HydrophobicContact CB-CG1 4.47Å
629	T	92.9	Very high	92.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-54.7	-39.4	179.2	-65	0	0	0	0	112.2	P580 V581 A584 Y626 C627 F632 I633 C804 S808	P580-T629 HydrophobicContact CB-CG2 3.76Å; V581-T629 HydrophobicContact CG2-CG2 4.48Å; A584-T629 HydrophobicContact CB-CG2 3.94Å; Y626-T629 PolarHBondContact O-N 2.78Å; C627-T629 VanDerWaalsContact C-N 3.29Å; C627-T629 PolarHBondContact O-N 2.72Å; T629-F632 PolarHBondContact O-N 3.27Å; T629-I633 HydrophobicContact CG2-CD1 3.89Å; T629-I633 WeakPolarHBondContact O-CG1 3.27Å; T629-I633 PolarHBondContact O-N 2.74Å; T629-I633 VanDerWaalsContact O-N 3.15Å; T629-C804 HydrophobicContact CG2-CB 3.92Å; T629-S808 PolarHBondContact OG1-OG 2.89Å
630	F	93.2	Very high	92.3	Very high	71 Å²	71	34.6 Å²	34.6	31%	0.311	19%	0.187	S	C	.	.	H	α-helix	trans	-66.9	-40.2	176.9	-60.9	-90	0	0	0	112.1	W572 V581 A584 C627 M628 F632 I633 A634	W572-F630 HydrophobicContact CH2-CD1 4.4Å; W572-F630 HydrophobicContact CZ3-CD1 4.3Å; V581-F630 HydrophobicContact CG1-CE1 3.98Å; V581-F630 HydrophobicContact CG1-CZ 4.38Å; A584-F630 HydrophobicContact CB-CE2 4.31Å; C627-F630 PolarHBondContact O-N 3.05Å; M628-F630 PolarHBondContact O-N 2.71Å; F630-F632 VanDerWaalsContact C-N 3.34Å; F630-I633 PolarHBondContact O-N 3.46Å; F630-A634 WeakPolarHBondContact O-CB 3.45Å; F630-A634 PolarHBondContact O-N 2.96Å
631	F	92.6	Very high	92.1	Very high	62 Å²	62	28.5 Å²	28.5	27%	0.272	16%	0.16	S	C	.	.	H	α-helix	trans	-68.1	-32.5	176	-60.3	-48.1	0	0	0	112.6	M628 I640 L643 R644	M628-F631 HydrophobicContact CE-CD2 4.25Å; M628-F631 PolarHBondContact O-N 3.41Å; M628-F631 HydrophobicContact SD-CD2 3.95Å; F631-I640 HydrophobicContact CD1-CD1 4.22Å; F631-I640 VanDerWaalsContact O-CG2 3.28Å; F631-I640 WeakPolarHBondContact O-CG2 3.49Å; F631-L643 HydrophobicContact CD1-CB 4.39Å; F631-L643 HydrophobicContact CD1-CD1 4.07Å; F631-L643 HydrophobicContact CE1-CD1 3.82Å; F631-L643 HydrophobicContact CG-CB 4.32Å; F631-L643 HydrophobicContact CZ-CD1 4.31Å; F631-R644 HydrophobicContact CB-CG 4.31Å; F631-R644 WeakPolarHBondContact O-CG 3.46Å; F631-R644 VanDerWaalsContact O-CZ 3.27Å; F631-R644 PolarHBondContact O-NE 2.91Å; F631-R644 PolarHBondContact O-NH2 3.34Å
632	F	89.8	Confident	91.8	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-74.3	-22.2	176.1	-81.9	-71.9	0	0	0	114.2	M628 T629 F630 R644 L648 M737 T800 M803 C804	M628-F632 HydrophobicContact CB-CD2 4.24Å; M628-F632 HydrophobicContact CB-CE2 4.29Å; M628-F632 HydrophobicContact CE-CD2 4.26Å; M628-F632 HydrophobicContact CE-CE2 3.64Å; M628-F632 HydrophobicContact CE-CZ 4.41Å; M628-F632 VanDerWaalsContact O-CD2 3.27Å; M628-F632 WeakPolarHBondContact O-CD2 3.43Å; M628-F632 PolarHBondContact O-N 3.26Å; T629-F632 PolarHBondContact O-N 3.27Å; F630-F632 VanDerWaalsContact C-N 3.34Å; F632-R644 VanDerWaalsContact C-NH2 3.3Å; F632-R644 HydrophobicContact CD1-CB 4.4Å; F632-R644 HydrophobicContact CD1-CG 3.87Å; F632-R644 HydrophobicContact CE1-CB 3.84Å; F632-R644 HydrophobicContact CE1-CG 3.83Å; F632-R644 HydrophobicContact CG-CG 4.24Å; F632-R644 HydrophobicContact CZ-CB 3.9Å; F632-R644 HydrophobicContact CZ-CG 4.17Å; F632-R644 PolarHBondContact O-NH1 3.01Å; F632-R644 PolarHBondContact O-NH2 2.93Å; F632-L648 HydrophobicContact CE2-CD1 4.1Å; F632-L648 HydrophobicContact CZ-CB 4.39Å; F632-L648 HydrophobicContact CZ-CD1 4.31Å; F632-M737 HydrophobicContact CE1-SD 4.16Å; F632-T800 HydrophobicContact CB-CG2 4.12Å; F632-T800 WeakPolarHBondContact O-CG2 3.47Å; F632-M803 HydrophobicContact CD1-CE 4.4Å; F632-M803 HydrophobicContact CD1-SD 4.12Å; F632-M803 HydrophobicContact CE1-CE 3.59Å; F632-M803 HydrophobicContact CE1-SD 3.77Å; F632-M803 HydrophobicContact CE2-CE 3.83Å; F632-M803 HydrophobicContact CZ-CE 3.28Å; F632-M803 HydrophobicContact CZ-SD 4.06Å; F632-C804 WeakPolarHBondContact CB-SG 3.24Å
633	I	91.9	Very high	91.6	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-96.2	-36	178.3	-68.9	167.6	0	0	0	112.5	W572 A577 P580 V581 T629 F630	W572-I633 HydrophobicContact CD2-CG2 4.18Å; W572-I633 HydrophobicContact CE3-CG2 3.63Å; W572-I633 HydrophobicContact CH2-CB 4.29Å; W572-I633 HydrophobicContact CH2-CG2 4.03Å; W572-I633 HydrophobicContact CZ3-CB 4.06Å; W572-I633 HydrophobicContact CZ3-CG2 3.55Å; A577-I633 HydrophobicContact CB-CD1 4.28Å; A577-I633 HydrophobicContact CB-CG2 3.72Å; P580-I633 HydrophobicContact CB-CD1 4.2Å; V581-I633 HydrophobicContact CG2-CD1 3.61Å; T629-I633 HydrophobicContact CG2-CD1 3.89Å; T629-I633 WeakPolarHBondContact O-CG1 3.27Å; T629-I633 PolarHBondContact O-N 2.74Å; T629-I633 VanDerWaalsContact O-N 3.15Å; F630-I633 PolarHBondContact O-N 3.46Å
634	A	91.2	Very high	91.4	Very high	17 Å²	17	33.6 Å²	33.6	14%	0.14	19%	0.185	C	C	.	.	S	Bend	trans	-54.3	142.1	179	0	0	0	0	0	113.1	W572 F630 I640 R644	W572-A634 HydrophobicContact CH2-CB 4.32Å; W572-A634 HydrophobicContact CZ2-CB 3.88Å; F630-A634 WeakPolarHBondContact O-CB 3.45Å; F630-A634 PolarHBondContact O-N 2.96Å; A634-I640 HydrophobicContact CB-CD1 3.99Å; A634-I640 HydrophobicContact CB-CG1 4.4Å; A634-I640 HydrophobicContact CB-CG2 4.44Å; A634-R644 PolarHBondContact O-NH2 3.24Å
635	K	90.6	Very high	91.1	Very high	85 Å²	85	32.4 Å²	32.4	37%	0.37	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-47.1	127.9	-175.4	-174.6	178.1	-179	-178.9	0	111	E567 Y569 S637 L728	E567-K635 WeakPolarHBondContact OE2-CE 3.44Å; E567-K635 IonicContact OE2-NZ 3.77Å; E567-K635 PolarHBondContact OE2-NZ 2.95Å; Y569-K635 HydrophobicContact CD1-CD 4.28Å; Y569-K635 HydrophobicContact CD1-CG 4.34Å; Y569-K635 HydrophobicContact CD2-CB 3.95Å; Y569-K635 HydrophobicContact CD2-CD 4.39Å; Y569-K635 HydrophobicContact CD2-CG 3.81Å; Y569-K635 HydrophobicContact CE1-CD 3.91Å; Y569-K635 HydrophobicContact CE1-CG 4.35Å; Y569-K635 HydrophobicContact CE2-CB 3.77Å; Y569-K635 HydrophobicContact CE2-CD 4.03Å; Y569-K635 HydrophobicContact CE2-CG 3.8Å; Y569-K635 HydrophobicContact CG-CG 4.09Å; K635-S637 PolarHBondContact O-N 3.47Å; K635-L728 HydrophobicContact CD-CD2 4.43Å; K635-L728 HydrophobicContact CG-CD2 4.2Å
636	P	90.4	Very high	90.8	Very high	15 Å²	15	35 Å²	35	10%	0.097	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-54.5	127.3	177.9	-27.9	36.1	0	0	0	112.2	T714 L728	P636-T714 HydrophobicContact CB-CG2 4.05Å; P636-L728 HydrophobicContact CB-CD2 4.24Å; P636-L728 HydrophobicContact CB-CG 4.2Å; P636-L728 HydrophobicContact CG-CG 4.48Å
637	S	90	Very high	90.5	Very high	40 Å²	40	35.5 Å²	35.5	28%	0.28	20%	0.196	S	C	.	.			trans	-149.7	160	174.3	67.6	0	0	0	0	108	K635 V639 I640 C641	K635-S637 PolarHBondContact O-N 3.47Å; S637-V639 PolarHBondContact O-N 2.9Å; S637-V639 VanDerWaalsContact O-N 3.14Å; S637-I640 PolarHBondContact O-N 3.42Å; S637-I640 WeakPolarHBondContact OG-CG1 3.44Å; S637-I640 PolarHBondContact OG-N 3.27Å; S637-C641 WeakPolarHBondContact O-CB 3.43Å; S637-C641 PolarHBondContact O-N 3.44Å; S637-C641 PolarHBondContact O-SG 3.29Å
638	P	89	Confident	90.3	Very high	68 Å²	68	33.8 Å²	33.8	44%	0.442	18%	0.184	S	C	.	.	H	α-helix	trans	-51.4	-41	-179.1	-29.7	36.7	0	0	0	113.5	A642	P638-A642 WeakPolarHBondContact O-CB 3.49Å; P638-A642 PolarHBondContact O-N 3.36Å
639	V	90.3	Very high	90.1	Very high	100 Å²	100	33.8 Å²	33.8	61%	0.606	18%	0.184	S	C	*	.	H	α-helix	trans	-66.4	-48.5	177	-177.4	0	0	0	0	111.7	S637 C641 A642 L643	S637-V639 PolarHBondContact O-N 2.9Å; S637-V639 VanDerWaalsContact O-N 3.14Å; V639-C641 VanDerWaalsContact C-N 3.34Å; V639-C641 PolarHBondContact O-N 3.43Å; V639-A642 PolarHBondContact O-N 2.93Å; V639-L643 HydrophobicContact CG1-CD1 4.17Å; V639-L643 WeakPolarHBondContact O-CG 3.42Å; V639-L643 PolarHBondContact O-N 3.16Å
640	I	91.9	Very high	90.1	Very high	28 Å²	28	34.6 Å²	34.6	14%	0.144	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-39.7	179	-69.2	-65	0	0	0	111.1	F631 A634 S637 L643 R644	F631-I640 HydrophobicContact CD1-CD1 4.22Å; F631-I640 VanDerWaalsContact O-CG2 3.28Å; F631-I640 WeakPolarHBondContact O-CG2 3.49Å; A634-I640 HydrophobicContact CB-CD1 3.99Å; A634-I640 HydrophobicContact CB-CG1 4.4Å; A634-I640 HydrophobicContact CB-CG2 4.44Å; S637-I640 PolarHBondContact O-N 3.42Å; S637-I640 WeakPolarHBondContact OG-CG1 3.44Å; S637-I640 PolarHBondContact OG-N 3.27Å; I640-L643 PolarHBondContact O-N 3.4Å; I640-R644 HydrophobicContact CG2-CG 4.45Å; I640-R644 VanDerWaalsContact O-CG 3.31Å; I640-R644 WeakPolarHBondContact O-CG 3.35Å; I640-R644 PolarHBondContact O-N 3.05Å
641	C	89.8	Confident	90	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-37.2	176.6	-62.9	0	0	0	0	112.3	S637 V639 R645 C730	S637-C641 WeakPolarHBondContact O-CB 3.43Å; S637-C641 PolarHBondContact O-N 3.44Å; S637-C641 PolarHBondContact O-SG 3.29Å; V639-C641 VanDerWaalsContact C-N 3.34Å; V639-C641 PolarHBondContact O-N 3.43Å; C641-R645 WeakPolarHBondContact O-CB 3.24Å; C641-R645 PolarHBondContact O-N 3.31Å; C641-C730 VanDerWaalsContact CA-SG 3.53Å; C641-C730 HydrophobicContact CB-CB 3.77Å; C641-C730 WeakPolarHBondContact CB-SG 3.36Å; C641-C730 WeakPolarHBondContact SG-CA 3.29Å; C641-C730 WeakPolarHBondContact SG-CB 3.24Å; C641-C730 CovalentContact SG-SG 2.04Å; C641-C730 PolarHBondContact SG-SG 2.91Å
642	A	89.1	Confident	90	Very high	19 Å²	19	28.4 Å²	28.4	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-45	171.1	0	0	0	0	0	112	P638 V639 R645 L646 P712	P638-A642 WeakPolarHBondContact O-CB 3.49Å; P638-A642 PolarHBondContact O-N 3.36Å; V639-A642 PolarHBondContact O-N 2.93Å; A642-R645 PolarHBondContact O-N 3.01Å; A642-L646 WeakPolarHBondContact O-CB 3.5Å; A642-L646 PolarHBondContact O-N 2.75Å; A642-P712 HydrophobicContact CB-CB 3.89Å; A642-P712 HydrophobicContact CB-CG 3.87Å
643	L	89.8	Confident	90.2	Very high	63 Å²	63	28.1 Å²	28.1	33%	0.33	16%	0.162	S	C	.	.	H	α-helix	trans	-64.3	-42.2	179	-72.1	173.5	0	0	0	112.9	F631 V639 I640 R645 L646 G647	F631-L643 HydrophobicContact CD1-CB 4.39Å; F631-L643 HydrophobicContact CD1-CD1 4.07Å; F631-L643 HydrophobicContact CE1-CD1 3.82Å; F631-L643 HydrophobicContact CG-CB 4.32Å; F631-L643 HydrophobicContact CZ-CD1 4.31Å; V639-L643 HydrophobicContact CG1-CD1 4.17Å; V639-L643 WeakPolarHBondContact O-CG 3.42Å; V639-L643 PolarHBondContact O-N 3.16Å; I640-L643 PolarHBondContact O-N 3.4Å; L643-R645 VanDerWaalsContact C-N 3.31Å; L643-R645 PolarHBondContact O-N 3.46Å; L643-L646 PolarHBondContact O-N 2.8Å; L643-G647 PolarHBondContact O-N 2.66Å
644	R	89.4	Confident	90.3	Very high	35 Å²	35	28.7 Å²	28.7	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-54.3	-47.1	172	-73.2	173.5	-168.1	-140.5	1.9	111.4	F631 F632 A634 I640 L648	F631-R644 HydrophobicContact CB-CG 4.31Å; F631-R644 WeakPolarHBondContact O-CG 3.46Å; F631-R644 VanDerWaalsContact O-CZ 3.27Å; F631-R644 PolarHBondContact O-NE 2.91Å; F631-R644 PolarHBondContact O-NH2 3.34Å; F632-R644 VanDerWaalsContact C-NH2 3.3Å; F632-R644 HydrophobicContact CD1-CB 4.4Å; F632-R644 HydrophobicContact CD1-CG 3.87Å; F632-R644 HydrophobicContact CE1-CB 3.84Å; F632-R644 HydrophobicContact CE1-CG 3.83Å; F632-R644 HydrophobicContact CG-CG 4.24Å; F632-R644 HydrophobicContact CZ-CB 3.9Å; F632-R644 HydrophobicContact CZ-CG 4.17Å; F632-R644 PolarHBondContact O-NH1 3.01Å; F632-R644 PolarHBondContact O-NH2 2.93Å; A634-R644 PolarHBondContact O-NH2 3.24Å; I640-R644 HydrophobicContact CG2-CG 4.45Å; I640-R644 VanDerWaalsContact O-CG 3.31Å; I640-R644 WeakPolarHBondContact O-CG 3.35Å; I640-R644 PolarHBondContact O-N 3.05Å; R644-L648 WeakPolarHBondContact O-CB 3.44Å; R644-L648 PolarHBondContact O-N 3.37Å
645	R	86.8	Confident	90.5	Very high	20 Å²	20	28.1 Å²	28.1	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-73.2	-36.2	-175.7	-164.7	160.4	174.2	-120.8	0.1	112.8	C641 A642 L643 V703 W706 L707 E710	C641-R645 WeakPolarHBondContact O-CB 3.24Å; C641-R645 PolarHBondContact O-N 3.31Å; A642-R645 PolarHBondContact O-N 3.01Å; L643-R645 VanDerWaalsContact C-N 3.31Å; L643-R645 PolarHBondContact O-N 3.46Å; R645-V703 WeakPolarHBondContact O-CG1 3.39Å; R645-W706 VanDerWaalsContact CZ-CD1 3.45Å; R645-W706 PolarHBondContact NH1-O 3.41Å; R645-W706 PolarHBondContact NH2-O 3.2Å; R645-L707 HydrophobicContact CG-CD2 4.48Å; R645-E710 IonicContact CZ-OE2 3.28Å; R645-E710 PolarHBondContact NH1-O 3.03Å; R645-E710 IonicContact NH2-OE2 2.96Å; R645-E710 PolarHBondContact NH2-OE2 3.31Å
646	L	87.8	Confident	90.6	Very high	54 Å²	54	24.3 Å²	24.3	28%	0.283	14%	0.143	S	C	.	.	H	α-helix	trans	-70.5	-54.1	173.3	-83.5	164	0	0	0	112.9	A642 L643 L648 S650 V703 L707	A642-L646 WeakPolarHBondContact O-CB 3.5Å; A642-L646 PolarHBondContact O-N 2.75Å; L643-L646 PolarHBondContact O-N 2.8Å; L646-L648 PolarHBondContact O-N 2.91Å; L646-S650 VanDerWaalsContact O-CB 3.24Å; L646-S650 WeakPolarHBondContact O-CB 3.26Å; L646-S650 PolarHBondContact O-N 3.29Å; L646-S650 PolarHBondContact O-OG 3.4Å; L646-V703 HydrophobicContact CD2-CG1 4.02Å; L646-L707 HydrophobicContact CD1-CD1 3.74Å; L646-L707 HydrophobicContact CD2-CD1 3.86Å; L646-L707 HydrophobicContact CG-CD1 3.67Å; L646-L707 HydrophobicContact CG-CG 4.47Å
647	G	88.9	Confident	90.8	Very high	12 Å²	12	23.6 Å²	23.6	12%	0.124	14%	0.139	C	C	.	.	H	α-helix	trans	-75.7	-28.3	-163	0	0	0	0	0	114.4	M628 L643 S651	M628-G647 WeakPolarHBondContact SD-CA 3.4Å; L643-G647 PolarHBondContact O-N 2.66Å; G647-S651 VanDerWaalsContact O-CB 3.28Å; G647-S651 WeakPolarHBondContact O-CB 3.43Å; G647-S651 PolarHBondContact O-N 2.84Å; G647-S651 PolarHBondContact O-OG 3.22Å
648	L	88.1	Confident	90.9	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-57.8	-70	-176.8	-177.7	71.3	0	0	0	111.5	M628 F632 R644 L646 S650 S651 F652 M737 L741 M803 V807	M628-L648 HydrophobicContact CE-CB 4.45Å; F632-L648 HydrophobicContact CE2-CD1 4.1Å; F632-L648 HydrophobicContact CZ-CB 4.39Å; F632-L648 HydrophobicContact CZ-CD1 4.31Å; R644-L648 WeakPolarHBondContact O-CB 3.44Å; R644-L648 PolarHBondContact O-N 3.37Å; L646-L648 PolarHBondContact O-N 2.91Å; L648-S650 VanDerWaalsContact C-N 3.31Å; L648-S650 PolarHBondContact O-N 3.01Å; L648-S651 PolarHBondContact O-N 3.17Å; L648-S651 PolarHBondContact O-OG 3.43Å; L648-F652 HydrophobicContact CD1-CE2 3.96Å; L648-F652 VanDerWaalsContact O-CD2 3.24Å; L648-F652 WeakPolarHBondContact O-CD2 3.35Å; L648-M737 HydrophobicContact CD2-CG 4.06Å; L648-L741 HydrophobicContact CD2-CD1 4.35Å; L648-L741 HydrophobicContact CD2-CD2 4.04Å; L648-L741 HydrophobicContact CD2-CG 4.35Å; L648-L741 HydrophobicContact CG-CD2 4.07Å; L648-M803 HydrophobicContact CD1-CE 3.52Å; L648-M803 HydrophobicContact CD2-CE 3.38Å; L648-M803 HydrophobicContact CG-CE 4.05Å; L648-V807 HydrophobicContact CD1-CG2 3.88Å
649	G	89.4	Confident	91	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-35.5	179.2	0	0	0	0	0	112.6	S651 F652 A653 D744	G649-S651 VanDerWaalsContact C-N 3.34Å; G649-S651 PolarHBondContact O-N 3.44Å; G649-F652 PolarHBondContact O-N 3.01Å; G649-A653 WeakPolarHBondContact O-CB 3.41Å; G649-A653 PolarHBondContact O-N 3.21Å; G649-D744 VanDerWaalsContact CA-OD2 3.26Å; G649-D744 WeakPolarHBondContact CA-OD2 3.22Å
650	S	91.4	Very high	91.1	Very high	18 Å²	18	14.3 Å²	14.3	13%	0.126	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-39.2	177.5	-58.7	0	0	0	0	112.8	L646 L648 F652 A653 I654	L646-S650 VanDerWaalsContact O-CB 3.24Å; L646-S650 WeakPolarHBondContact O-CB 3.26Å; L646-S650 PolarHBondContact O-N 3.29Å; L646-S650 PolarHBondContact O-OG 3.4Å; L648-S650 VanDerWaalsContact C-N 3.31Å; L648-S650 PolarHBondContact O-N 3.01Å; S650-F652 PolarHBondContact O-N 2.93Å; S650-A653 PolarHBondContact O-N 3.14Å; S650-I654 WeakPolarHBondContact O-CD1 3.35Å; S650-I654 WeakPolarHBondContact O-CG1 3.47Å; S650-I654 PolarHBondContact O-N 3.09Å
651	S	92.9	Very high	91.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.1	-38.6	178.9	71.5	0	0	0	0	112.7	G647 L648 G649 C655	G647-S651 VanDerWaalsContact O-CB 3.28Å; G647-S651 WeakPolarHBondContact O-CB 3.43Å; G647-S651 PolarHBondContact O-N 2.84Å; G647-S651 PolarHBondContact O-OG 3.22Å; L648-S651 PolarHBondContact O-N 3.17Å; L648-S651 PolarHBondContact O-OG 3.43Å; G649-S651 VanDerWaalsContact C-N 3.34Å; G649-S651 PolarHBondContact O-N 3.44Å; S651-C655 PolarHBondContact O-N 3.27Å; S651-C655 PolarHBondContact O-SG 3.38Å
652	F	91.9	Very high	90.9	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-73.9	-42.2	176.1	-68.7	-55.1	0	0	0	112.2	L648 G649 S650 I654 C655 Y656 L741 D744 W782 V807	L648-F652 HydrophobicContact CD1-CE2 3.96Å; L648-F652 VanDerWaalsContact O-CD2 3.24Å; L648-F652 WeakPolarHBondContact O-CD2 3.35Å; G649-F652 PolarHBondContact O-N 3.01Å; S650-F652 PolarHBondContact O-N 2.93Å; F652-I654 VanDerWaalsContact C-N 3.28Å; F652-I654 PolarHBondContact O-N 3.42Å; F652-C655 WeakPolarHBondContact O-CB 3.43Å; F652-C655 PolarHBondContact O-N 3.33Å; F652-Y656 HydrophobicContact CB-CD2 3.97Å; F652-Y656 HydrophobicContact CB-CE2 3.74Å; F652-Y656 AromaticContact CD1-CE2 3.84Å; F652-Y656 HydrophobicContact CD1-CE2 3.84Å; F652-Y656 HydrophobicContact CG-CE2 4.11Å; F652-Y656 WeakPolarHBondContact O-CD2 3.42Å; F652-Y656 PolarHBondContact O-N 3.43Å; F652-L741 HydrophobicContact CD2-CD2 4.29Å; F652-D744 HydrophobicContact CB-CB 4.21Å; F652-D744 WeakPolarHBondContact CB-OD1 3.43Å; F652-W782 HydrophobicContact CD1-CZ2 4.33Å; F652-W782 HydrophobicContact CD2-CH2 4.35Å; F652-W782 HydrophobicContact CD2-CZ2 4.16Å; F652-W782 AromaticContact CE1-CZ2 3.86Å; F652-W782 HydrophobicContact CE1-CZ2 3.86Å; F652-W782 AromaticContact CE2-CH2 3.81Å; F652-W782 HydrophobicContact CE2-CH2 3.81Å; F652-W782 AromaticContact CE2-CZ2 3.65Å; F652-W782 HydrophobicContact CE2-CZ2 3.65Å; F652-W782 HydrophobicContact CG-CZ2 4.49Å; F652-W782 HydrophobicContact CZ-CH2 4.09Å; F652-W782 AromaticContact CZ-CZ2 3.51Å; F652-W782 HydrophobicContact CZ-CZ2 3.51Å; F652-V807 HydrophobicContact CE2-CG2 4.11Å; F652-V807 HydrophobicContact CZ-CB 4.17Å; F652-V807 HydrophobicContact CZ-CG1 3.93Å; F652-V807 HydrophobicContact CZ-CG2 3.91Å
653	A	94.1	Very high	90.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-37.4	177.7	0	0	0	0	0	111.8	G649 S650 S657 Q699 D744 L747	G649-A653 WeakPolarHBondContact O-CB 3.41Å; G649-A653 PolarHBondContact O-N 3.21Å; S650-A653 PolarHBondContact O-N 3.14Å; A653-S657 WeakPolarHBondContact O-CB 3.29Å; A653-S657 PolarHBondContact O-N 2.94Å; A653-S657 PolarHBondContact O-OG 3.32Å; A653-Q699 HydrophobicContact CB-CB 3.61Å; A653-Q699 HydrophobicContact CB-CG 3.66Å; A653-D744 VanDerWaalsContact CA-OD1 3.27Å; A653-D744 WeakPolarHBondContact CA-OD1 3.3Å; A653-D744 WeakPolarHBondContact CB-OD1 3.37Å; A653-D744 PolarHBondContact N-OD1 3.37Å; A653-L747 HydrophobicContact CB-CD1 4.16Å
654	I	94.8	Very high	90.7	Very high	17 Å²	17	11.6 Å²	11.6	9%	0.087	6%	0.062	C	C	.	.	H	α-helix	trans	-61.6	-48.8	172.1	-67.4	163.1	0	0	0	111	I617 F620 L624 S650 F652 A658 I696	I617-I654 HydrophobicContact CG2-CG2 3.85Å; I617-I654 VanDerWaalsContact O-CG2 3.26Å; I617-I654 WeakPolarHBondContact O-CG2 3.34Å; F620-I654 HydrophobicContact CD1-CD1 4.3Å; F620-I654 HydrophobicContact CD1-CG2 4.47Å; F620-I654 HydrophobicContact CE1-CD1 4.14Å; L624-I654 HydrophobicContact CD2-CD1 4.1Å; S650-I654 WeakPolarHBondContact O-CD1 3.35Å; S650-I654 WeakPolarHBondContact O-CG1 3.47Å; S650-I654 PolarHBondContact O-N 3.09Å; F652-I654 VanDerWaalsContact C-N 3.28Å; F652-I654 PolarHBondContact O-N 3.42Å; I654-A658 WeakPolarHBondContact O-CB 3.41Å; I654-A658 PolarHBondContact O-N 3.33Å; I654-I696 HydrophobicContact CB-CD1 4.37Å; I654-I696 HydrophobicContact CG1-CD1 4.05Å; I654-I696 HydrophobicContact CG1-CG1 4.14Å; I654-I696 HydrophobicContact CG1-CG2 4.03Å; I654-I696 HydrophobicContact CG2-CD1 4.42Å
655	C	93.7	Very high	90.5	Very high	6 Å²	6	10.7 Å²	10.7	4%	0.041	6%	0.06	C	C	.	.	H	α-helix	trans	-60.8	-54.4	179.2	-66.5	0	0	0	0	112.4	L618 S651 F652 A658 L659	L618-C655 HydrophobicContact CD1-CB 3.91Å; S651-C655 PolarHBondContact O-N 3.27Å; S651-C655 PolarHBondContact O-SG 3.38Å; F652-C655 WeakPolarHBondContact O-CB 3.43Å; F652-C655 PolarHBondContact O-N 3.33Å; C655-A658 PolarHBondContact O-N 3.49Å; C655-L659 WeakPolarHBondContact O-CG 3.46Å; C655-L659 PolarHBondContact O-N 3.46Å
656	Y	93.6	Very high	90.3	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.02	7%	0.065	C	C	.	.	H	α-helix	trans	-74.8	-29.7	-174.7	-57.6	-51.5	0	0	0	112.5	F652 A658 L659 L660 V748 C751 M775 T778	F652-Y656 HydrophobicContact CB-CD2 3.97Å; F652-Y656 HydrophobicContact CB-CE2 3.74Å; F652-Y656 AromaticContact CD1-CE2 3.84Å; F652-Y656 HydrophobicContact CD1-CE2 3.84Å; F652-Y656 HydrophobicContact CG-CE2 4.11Å; F652-Y656 WeakPolarHBondContact O-CD2 3.42Å; F652-Y656 PolarHBondContact O-N 3.43Å; Y656-A658 PolarHBondContact O-N 3.22Å; Y656-L659 HydrophobicContact CD1-CD1 4.07Å; Y656-L659 HydrophobicContact CE1-CD1 4.47Å; Y656-L659 PolarHBondContact O-N 2.7Å; Y656-L660 WeakPolarHBondContact O-CB 3.37Å; Y656-L660 PolarHBondContact O-N 3.32Å; Y656-V748 HydrophobicContact CD1-CG2 3.94Å; Y656-V748 HydrophobicContact CD2-CG2 3.6Å; Y656-V748 HydrophobicContact CE1-CG2 3.86Å; Y656-V748 HydrophobicContact CE2-CG2 3.47Å; Y656-V748 VanDerWaalsContact CE2-CG2 3.47Å; Y656-V748 HydrophobicContact CG-CG2 3.85Å; Y656-C751 PolarHBondContact O-SG 3.19Å; Y656-C751 VanDerWaalsContact O-SG 3.36Å; Y656-M775 HydrophobicContact CD1-CE 4.47Å; Y656-T778 HydrophobicContact CE1-CG2 3.93Å; Y656-T778 WeakPolarHBondContact OH-CG2 3.47Å
657	S	94.2	Very high	89.9	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.9	-38.3	171.2	-62.9	0	0	0	0	112.3	A653 T661 L695	A653-S657 WeakPolarHBondContact O-CB 3.29Å; A653-S657 PolarHBondContact O-N 2.94Å; A653-S657 PolarHBondContact O-OG 3.32Å; S657-T661 VanDerWaalsContact O-CB 3.28Å; S657-T661 WeakPolarHBondContact O-CB 3.38Å; S657-T661 PolarHBondContact O-N 2.9Å; S657-T661 PolarHBondContact O-OG1 3.35Å; S657-L695 VanDerWaalsContact OG-CB 3.23Å; S657-L695 WeakPolarHBondContact OG-CB 3.13Å
658	A	92.6	Very high	89.4	Confident	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-67.9	-44.3	175.1	0	0	0	0	0	111.6	I617 L618 I654 C655 Y656 K662	I617-A658 HydrophobicContact CG2-CB 4.26Å; L618-A658 HydrophobicContact CB-CB 3.94Å; I654-A658 WeakPolarHBondContact O-CB 3.41Å; I654-A658 PolarHBondContact O-N 3.33Å; C655-A658 PolarHBondContact O-N 3.49Å; Y656-A658 PolarHBondContact O-N 3.22Å; A658-K662 WeakPolarHBondContact O-CB 3.24Å; A658-K662 PolarHBondContact O-N 3.01Å
659	L	91.1	Very high	88.8	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-40.8	175.8	-71.5	167.9	0	0	0	112.7	L618 C655 Y656 K662 T663 I771 M775 L818	L618-L659 HydrophobicContact CD1-CD1 4.28Å; L618-L659 HydrophobicContact CD1-CG 4.1Å; L618-L659 HydrophobicContact CD2-CD2 3.83Å; L618-L659 HydrophobicContact CD2-CG 4.13Å; C655-L659 WeakPolarHBondContact O-CG 3.46Å; C655-L659 PolarHBondContact O-N 3.46Å; Y656-L659 HydrophobicContact CD1-CD1 4.07Å; Y656-L659 HydrophobicContact CE1-CD1 4.47Å; Y656-L659 PolarHBondContact O-N 2.7Å; L659-K662 PolarHBondContact O-N 3.08Å; L659-T663 WeakPolarHBondContact O-CB 3.38Å; L659-T663 WeakPolarHBondContact O-CG2 3.42Å; L659-T663 PolarHBondContact O-N 3.4Å; L659-T663 PolarHBondContact O-OG1 2.9Å; L659-I771 HydrophobicContact CD2-CG2 4.4Å; L659-M775 HydrophobicContact CD1-SD 4.21Å; L659-L818 HydrophobicContact CD2-CD2 3.92Å
660	L	91.9	Very high	88	Confident	11 Å²	11	18.9 Å²	18.9	6%	0.058	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-48.4	176.9	-174.2	54.1	0	0	0	111.1	Y656 K662 T663 N664 L695 L747 L750 Y754	Y656-L660 WeakPolarHBondContact O-CB 3.37Å; Y656-L660 PolarHBondContact O-N 3.32Å; L660-K662 PolarHBondContact O-N 3.06Å; L660-T663 WeakPolarHBondContact CA-OG1 3.22Å; L660-T663 PolarHBondContact O-N 3.46Å; L660-T663 PolarHBondContact O-OG1 3.12Å; L660-T663 VanDerWaalsContact O-OG1 3.09Å; L660-N664 WeakPolarHBondContact O-CB 3.46Å; L660-N664 PolarHBondContact O-N 3.18Å; L660-L695 HydrophobicContact CD2-CD1 4.11Å; L660-L747 HydrophobicContact CD2-CD2 3.88Å; L660-L750 HydrophobicContact CD1-CB 3.95Å; L660-L750 HydrophobicContact CD2-CB 4.05Å; L660-L750 HydrophobicContact CD2-CD1 4.26Å; L660-Y754 HydrophobicContact CD1-CD2 3.61Å; L660-Y754 HydrophobicContact CD1-CE2 4.15Å; L660-Y754 HydrophobicContact CD1-CG 4.37Å
661	T	91.1	Very high	87	Confident	6 Å²	6	20.5 Å²	20.5	4%	0.037	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-41.3	177.4	-58.8	0	0	0	0	110.9	L614 S657 C665 Q688 I691 C692	L614-T661 HydrophobicContact CD1-CG2 3.86Å; L614-T661 HydrophobicContact CD2-CG2 4.01Å; S657-T661 VanDerWaalsContact O-CB 3.28Å; S657-T661 WeakPolarHBondContact O-CB 3.38Å; S657-T661 PolarHBondContact O-N 2.9Å; S657-T661 PolarHBondContact O-OG1 3.35Å; T661-C665 WeakPolarHBondContact O-CB 3.39Å; T661-C665 PolarHBondContact O-N 2.94Å; T661-Q688 HydrophobicContact CG2-CB 3.84Å; T661-Q688 HydrophobicContact CG2-CG 4.47Å; T661-Q688 VanDerWaalsContact CG2-O 3.31Å; T661-Q688 WeakPolarHBondContact CG2-O 3.25Å; T661-I691 HydrophobicContact CG2-CB 4.47Å; T661-I691 HydrophobicContact CG2-CG2 4.35Å; T661-C692 HydrophobicContact CG2-CB 4.28Å; T661-C692 WeakPolarHBondContact OG1-CA 3.49Å
662	K	87.3	Confident	85.6	Confident	12 Å²	12	21.2 Å²	21.2	5%	0.052	11%	0.108	C	C	.	.	H	α-helix	trans	-70.6	-45.7	-179.2	-175.6	162.5	177.4	163.8	0	113.6	S610 L614 C615 A658 L659 L660 C665 I666 E767 I771	S610-K662 WeakPolarHBondContact O-CE 3.35Å; S610-K662 PolarHBondContact O-NZ 3.35Å; L614-K662 HydrophobicContact CD1-CB 4Å; C615-K662 PolarHBondContact SG-NZ 2.91Å; C615-K662 VanDerWaalsContact SG-NZ 3.36Å; A658-K662 WeakPolarHBondContact O-CB 3.24Å; A658-K662 PolarHBondContact O-N 3.01Å; L659-K662 PolarHBondContact O-N 3.08Å; L660-K662 PolarHBondContact O-N 3.06Å; K662-C665 WeakPolarHBondContact O-CB 3.28Å; K662-C665 PolarHBondContact O-N 3.38Å; K662-I666 WeakPolarHBondContact O-CG1 3.26Å; K662-I666 PolarHBondContact O-N 3.49Å; K662-I666 VanDerWaalsContact O-N 3.17Å; K662-E767 WeakPolarHBondContact CE-OE1 3.31Å; K662-E767 IonicContact NZ-OE1 3.74Å; K662-E767 PolarHBondContact NZ-OE1 3.18Å; K662-I771 HydrophobicContact CG-CD1 4.47Å
663	T	87.7	Confident	84.3	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-40.2	175.6	49.5	0	0	0	0	111.9	L659 L660 C665 I666 A667 A755 I771	L659-T663 WeakPolarHBondContact O-CB 3.38Å; L659-T663 WeakPolarHBondContact O-CG2 3.42Å; L659-T663 PolarHBondContact O-N 3.4Å; L659-T663 PolarHBondContact O-OG1 2.9Å; L660-T663 WeakPolarHBondContact CA-OG1 3.22Å; L660-T663 PolarHBondContact O-N 3.46Å; L660-T663 PolarHBondContact O-OG1 3.12Å; L660-T663 VanDerWaalsContact O-OG1 3.09Å; T663-C665 VanDerWaalsContact C-N 3.33Å; T663-C665 PolarHBondContact O-N 3.47Å; T663-I666 PolarHBondContact O-N 3.47Å; T663-A667 WeakPolarHBondContact O-CB 3.24Å; T663-A667 PolarHBondContact O-N 2.81Å; T663-A755 HydrophobicContact CG2-CB 3.8Å; T663-I771 HydrophobicContact CG2-CB 4.37Å; T663-I771 HydrophobicContact CG2-CD1 4.28Å; T663-I771 HydrophobicContact CG2-CG2 3.41Å; T663-I771 VanDerWaalsContact CG2-CG2 3.41Å
664	N	86.6	Confident	82.8	Confident	38 Å²	38	34.5 Å²	34.5	20%	0.203	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-39	174.1	-170.6	7.6	0	0	0	111.6	L660 A667 R668 Y754	L660-N664 WeakPolarHBondContact O-CB 3.46Å; L660-N664 PolarHBondContact O-N 3.18Å; N664-A667 PolarHBondContact O-N 2.74Å; N664-R668 WeakPolarHBondContact O-CB 3.32Å; N664-R668 VanDerWaalsContact O-CG 3.24Å; N664-R668 WeakPolarHBondContact O-CG 3.16Å; N664-R668 PolarHBondContact O-N 2.95Å; N664-R668 WeakPolarHBondContact OD1-CD 3.47Å; N664-R668 WeakPolarHBondContact OD1-CG 3.44Å; N664-Y754 HydrophobicContact CB-CD1 4.39Å; N664-Y754 HydrophobicContact CB-CE1 4.37Å
665	C	85.3	Confident	81	Confident	15 Å²	15	40.1 Å²	40.1	10%	0.101	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-47.7	171.8	-174.6	0	0	0	0	112.2	T661 K662 T663 A667 R668 I669 Q688	T661-C665 WeakPolarHBondContact O-CB 3.39Å; T661-C665 PolarHBondContact O-N 2.94Å; K662-C665 WeakPolarHBondContact O-CB 3.28Å; K662-C665 PolarHBondContact O-N 3.38Å; T663-C665 VanDerWaalsContact C-N 3.33Å; T663-C665 PolarHBondContact O-N 3.47Å; C665-A667 PolarHBondContact O-N 2.7Å; C665-R668 PolarHBondContact O-N 3.5Å; C665-I669 VanDerWaalsContact O-CG1 3.28Å; C665-I669 WeakPolarHBondContact O-CG1 3.5Å; C665-I669 PolarHBondContact O-N 2.69Å; C665-Q688 PolarHBondContact SG-NE2 3.07Å; C665-Q688 VanDerWaalsContact SG-NE2 3.38Å
666	I	81.4	Confident	79.2	Confident	32 Å²	32	42.1 Å²	42.1	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-45.9	177.1	-64.8	166.6	0	0	0	110.6	K662 T663 R668 I669 F670 T758 I771	K662-I666 WeakPolarHBondContact O-CG1 3.26Å; K662-I666 PolarHBondContact O-N 3.49Å; K662-I666 VanDerWaalsContact O-N 3.17Å; T663-I666 PolarHBondContact O-N 3.47Å; I666-R668 PolarHBondContact O-N 2.97Å; I666-I669 PolarHBondContact O-N 3.5Å; I666-F670 PolarHBondContact O-N 2.99Å; I666-T758 HydrophobicContact CB-CG2 4.16Å; I666-T758 HydrophobicContact CG2-CG2 3.79Å; I666-I771 HydrophobicContact CD1-CD1 3.91Å
667	A	79.1	Confident	77.4	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-44.8	177.8	0	0	0	0	0	112.3	T663 N664 C665 F670 D671 Y754 T758	T663-A667 WeakPolarHBondContact O-CB 3.24Å; T663-A667 PolarHBondContact O-N 2.81Å; N664-A667 PolarHBondContact O-N 2.74Å; C665-A667 PolarHBondContact O-N 2.7Å; A667-F670 PolarHBondContact O-N 3.43Å; A667-D671 WeakPolarHBondContact O-CB 3.32Å; A667-D671 PolarHBondContact O-N 3.48Å; A667-Y754 HydrophobicContact CB-CD1 3.89Å; A667-Y754 HydrophobicContact CB-CE1 4.32Å; A667-T758 HydrophobicContact CB-CG2 3.72Å
668	R	78.9	Confident	75.7	Confident	68 Å²	68	55.8 Å²	55.8	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-73.7	-28.5	-178.2	-68.3	172.2	71	-115.1	-0.5	113	N664 C665 I666 G672 K681 F682	N664-R668 WeakPolarHBondContact O-CB 3.32Å; N664-R668 VanDerWaalsContact O-CG 3.24Å; N664-R668 WeakPolarHBondContact O-CG 3.16Å; N664-R668 PolarHBondContact O-N 2.95Å; N664-R668 WeakPolarHBondContact OD1-CD 3.47Å; N664-R668 WeakPolarHBondContact OD1-CG 3.44Å; C665-R668 PolarHBondContact O-N 3.5Å; I666-R668 PolarHBondContact O-N 2.97Å; R668-G672 PolarHBondContact O-N 3.47Å; R668-G672 VanDerWaalsContact O-N 3.12Å; R668-K681 PolarHBondContact NH1-O 3.48Å; R668-K681 PolarHBondContact NH2-O 2.98Å; R668-F682 PolarHBondContact NH1-O 3.29Å
669	I	76.5	Confident	74.1	Confident	81 Å²	81	66.9 Å²	66.9	42%	0.415	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-46.5	167.4	-70.7	164.7	0	0	0	110.1	C665 I666 G672 V673 I683	C665-I669 VanDerWaalsContact O-CG1 3.28Å; C665-I669 WeakPolarHBondContact O-CG1 3.5Å; C665-I669 PolarHBondContact O-N 2.69Å; I666-I669 PolarHBondContact O-N 3.5Å; I669-G672 PolarHBondContact O-N 3.26Å; I669-V673 WeakPolarHBondContact O-CG2 3.21Å; I669-V673 PolarHBondContact O-N 2.96Å; I669-V673 VanDerWaalsContact O-N 3.07Å; I669-I683 HydrophobicContact CG1-CD1 3.86Å; I669-I683 HydrophobicContact CG1-CG2 4.49Å
670	F	72.2	Confident	72.8	Confident	79 Å²	79	68.9 Å²	68.9	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-69.7	-45.6	-177.3	-169.1	-100.7	0	0	0	113.1	I666 A667 G672 V673 K674	I666-F670 PolarHBondContact O-N 2.99Å; A667-F670 PolarHBondContact O-N 3.43Å; F670-G672 VanDerWaalsContact C-N 3.28Å; F670-G672 PolarHBondContact O-N 2.9Å; F670-V673 PolarHBondContact O-N 3.32Å; F670-K674 PolarHBondContact O-N 2.88Å; F670-K674 VanDerWaalsContact O-N 3.09Å
671	D	69.4	Low	71.5	Confident	51 Å²	51	76.4 Å²	76.4	27%	0.273	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-38	174.1	-71.7	-18.4	0	0	0	111.5	A667 K674 N675 K757	A667-D671 WeakPolarHBondContact O-CB 3.32Å; A667-D671 PolarHBondContact O-N 3.48Å; D671-K674 PolarHBondContact O-N 3.19Å; D671-N675 PolarHBondContact O-N 2.98Å; D671-K757 WeakPolarHBondContact OD1-CE 3.27Å; D671-K757 IonicContact OD1-NZ 2.75Å; D671-K757 WeakPolarHBondContact OD2-CE 3.41Å; D671-K757 IonicContact OD2-NZ 3.5Å; D671-K757 PolarHBondContact OD2-NZ 3.44Å
672	G	64.3	Low	70.3	Confident	16 Å²	16	82.7 Å²	82.7	17%	0.165	43%	0.425	C	S	.	.	H	α-helix	trans	-63	-43.4	175.3	0	0	0	0	0	113	R668 I669 F670 K674 N675	R668-G672 PolarHBondContact O-N 3.47Å; R668-G672 VanDerWaalsContact O-N 3.12Å; I669-G672 PolarHBondContact O-N 3.26Å; F670-G672 VanDerWaalsContact C-N 3.28Å; F670-G672 PolarHBondContact O-N 2.9Å; G672-K674 VanDerWaalsContact C-N 3.26Å; G672-K674 PolarHBondContact O-N 3.34Å; G672-N675 PolarHBondContact O-N 3.46Å
673	V	64.6	Low	69.5	Low	118 Å²	118	83.9 Å²	83.9	72%	0.715	43%	0.432	S	S	*	.	H	α-helix	trans	-63.4	-32.9	174.7	169.9	0	0	0	0	111.8	I669 F670	I669-V673 WeakPolarHBondContact O-CG2 3.21Å; I669-V673 PolarHBondContact O-N 2.96Å; I669-V673 VanDerWaalsContact O-N 3.07Å; F670-V673 PolarHBondContact O-N 3.32Å
674	K	62.4	Low	69.1	Low	165 Å²	165	87 Å²	87	72%	0.717	45%	0.453	S	S	*	.	H	α-helix	trans	-73	-27.6	180	-163.1	-176.8	178.4	-166.9	0	113.7	F670 D671 G672	F670-K674 PolarHBondContact O-N 2.88Å; F670-K674 VanDerWaalsContact O-N 3.09Å; D671-K674 PolarHBondContact O-N 3.19Å; G672-K674 VanDerWaalsContact C-N 3.26Å; G672-K674 PolarHBondContact O-N 3.34Å
675	N	58	Low	68.8	Low	136 Å²	136	88.9 Å²	88.9	73%	0.727	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	11.8	-168.7	-67	-5.5	0	0	0	114.7	D671 G672	D671-N675 PolarHBondContact O-N 2.98Å; G672-N675 PolarHBondContact O-N 3.46Å
676	G	55	Low	68.6	Low	47 Å²	47	92.6 Å²	92.6	49%	0.485	49%	0.494	S	S	.	.			trans	97.3	167.9	177.9	0	0	0	0	0	114.6	Q678	G676-Q678 VanDerWaalsContact C-N 3.28Å; G676-Q678 PolarHBondContact O-N 3.46Å
677	A	56.2	Low	68.8	Low	119 Å²	119	92.3 Å²	92.3	98%	0.983	50%	0.495	S	S	*	.	S	Bend	trans	-78.7	43.1	-154.2	0	0	0	0	0	117.2
678	Q	58.4	Low	69.2	Low	174 Å²	174	93.4 Å²	93.4	81%	0.813	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-98	133.4	163	-80	-162.7	1.5	0	0	111.7	G676 P680	G676-Q678 VanDerWaalsContact C-N 3.28Å; G676-Q678 PolarHBondContact O-N 3.46Å; Q678-P680 VanDerWaalsContact O-CD 3.3Å; Q678-P680 WeakPolarHBondContact O-CD 3.42Å
679	R	59.3	Low	69.7	Low	234 Å²	234	91.8 Å²	91.8	88%	0.883	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-74	116.1	175.4	-161.8	178.2	-167.4	-179.9	3.8	109.1
680	P	62.9	Low	70.4	Confident	42 Å²	42	95.6 Å²	95.6	27%	0.273	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-64.7	143	-172	-20.1	29.8	0	0	0	113.3	Q678 I683	Q678-P680 VanDerWaalsContact O-CD 3.3Å; Q678-P680 WeakPolarHBondContact O-CD 3.42Å; P680-I683 HydrophobicContact CB-CD1 3.64Å; P680-I683 HydrophobicContact CB-CG1 4.46Å; P680-I683 HydrophobicContact CG-CD1 3.8Å
681	K	64.3	Low	71.3	Confident	169 Å²	169	94.9 Å²	94.9	74%	0.735	51%	0.51	S	S	*	.	S	Bend	trans	-60	158.5	175.4	-60.3	-178.8	-178.7	179.9	0	110.8	R668 I683	R668-K681 PolarHBondContact NH1-O 3.48Å; R668-K681 PolarHBondContact NH2-O 2.98Å; K681-I683 PolarHBondContact O-N 3.02Å
682	F	65.6	Low	72.4	Confident	137 Å²	137	92.5 Å²	92.5	60%	0.601	50%	0.497	S	S	*	.	S	Bend	trans	54.6	46	177.4	-45.9	-75.1	0	0	0	115	R668 S687 I691	R668-F682 PolarHBondContact NH1-O 3.29Å; F682-S687 WeakPolarHBondContact CA-OG 3.44Å; F682-I691 HydrophobicContact CB-CD1 4.46Å
683	I	71.8	Confident	73.7	Confident	38 Å²	38	96.2 Å²	96.2	20%	0.195	51%	0.513	C	S	.	.			trans	-108.1	-11.5	170.4	-74.8	176.9	0	0	0	111.9	I669 P680 K681 Q688	I669-I683 HydrophobicContact CG1-CD1 3.86Å; I669-I683 HydrophobicContact CG1-CG2 4.49Å; P680-I683 HydrophobicContact CB-CD1 3.64Å; P680-I683 HydrophobicContact CB-CG1 4.46Å; P680-I683 HydrophobicContact CG-CD1 3.8Å; K681-I683 PolarHBondContact O-N 3.02Å; I683-Q688 PolarHBondContact O-NE2 3.5Å
684	S	79.1	Confident	75	Confident	65 Å²	65	92.2 Å²	92.2	46%	0.455	50%	0.496	S	S	.	.	S	Bend	trans	-61.6	141.9	178.2	-179.2	0	0	0	0	112	S686 S687 Q688	S684-S686 VanDerWaalsContact C-N 3.26Å; S684-S686 PolarHBondContact O-N 3.29Å; S684-S687 PolarHBondContact N-OG 3.3Å; S684-S687 PolarHBondContact O-N 3.21Å; S684-S687 PolarHBondContact O-OG 2.8Å; S684-Q688 PolarHBondContact O-N 3.3Å
685	P	79.8	Confident	76.5	Confident	78 Å²	78	86.4 Å²	86.4	51%	0.506	47%	0.472	S	S	.	.	H	α-helix	trans	-50.1	-42.5	176.7	-29.3	36.2	0	0	0	113.7	S687 Q688 V689	P685-S687 VanDerWaalsContact C-N 3.32Å; P685-S687 PolarHBondContact O-N 3.37Å; P685-Q688 WeakPolarHBondContact O-CB 3.48Å; P685-Q688 PolarHBondContact O-N 2.9Å; P685-Q688 VanDerWaalsContact O-N 3.1Å; P685-V689 PolarHBondContact O-N 3.48Å
686	S	82.3	Confident	78.3	Confident	93 Å²	93	80.7 Å²	80.7	65%	0.65	44%	0.442	S	S	*	.	H	α-helix	trans	-62.5	-38	177.9	-38.8	0	0	0	0	112.4	S684 F690	S684-S686 VanDerWaalsContact C-N 3.26Å; S684-S686 PolarHBondContact O-N 3.29Å; S686-F690 PolarHBondContact O-N 3.3Å
687	S	84.8	Confident	80.1	Confident	26 Å²	26	83.3 Å²	83.3	18%	0.182	44%	0.444	C	S	.	.	H	α-helix	trans	-72	-29.1	174.8	56.2	0	0	0	0	113	F682 S684 P685 I691	F682-S687 WeakPolarHBondContact CA-OG 3.44Å; S684-S687 PolarHBondContact N-OG 3.3Å; S684-S687 PolarHBondContact O-N 3.21Å; S684-S687 PolarHBondContact O-OG 2.8Å; P685-S687 VanDerWaalsContact C-N 3.32Å; P685-S687 PolarHBondContact O-N 3.37Å; S687-I691 WeakPolarHBondContact O-CD1 3.48Å; S687-I691 VanDerWaalsContact O-CG1 3.26Å; S687-I691 WeakPolarHBondContact O-CG1 3.44Å; S687-I691 PolarHBondContact O-N 3.27Å; S687-I691 VanDerWaalsContact O-N 3.14Å
688	Q	87.5	Confident	81.9	Confident	25 Å²	25	80.7 Å²	80.7	12%	0.117	42%	0.416	C	S	.	.	H	α-helix	trans	-68.2	-47.4	172.4	-63.2	173.4	25.4	0	0	110.6	L614 T661 C665 I683 S684 P685 F690 I691 C692	L614-Q688 HydrophobicContact CD1-CB 4.19Å; L614-Q688 HydrophobicContact CD2-CB 4.44Å; L614-Q688 HydrophobicContact CG-CB 4.5Å; T661-Q688 HydrophobicContact CG2-CB 3.84Å; T661-Q688 HydrophobicContact CG2-CG 4.47Å; T661-Q688 VanDerWaalsContact CG2-O 3.31Å; T661-Q688 WeakPolarHBondContact CG2-O 3.25Å; C665-Q688 PolarHBondContact SG-NE2 3.07Å; C665-Q688 VanDerWaalsContact SG-NE2 3.38Å; I683-Q688 PolarHBondContact O-NE2 3.5Å; S684-Q688 PolarHBondContact O-N 3.3Å; P685-Q688 WeakPolarHBondContact O-CB 3.48Å; P685-Q688 PolarHBondContact O-N 2.9Å; P685-Q688 VanDerWaalsContact O-N 3.1Å; Q688-F690 VanDerWaalsContact C-N 3.32Å; Q688-F690 PolarHBondContact O-N 3.3Å; Q688-I691 PolarHBondContact O-N 3.42Å; Q688-C692 WeakPolarHBondContact O-CB 3.28Å; Q688-C692 PolarHBondContact O-N 2.97Å
689	V	89.9	Confident	83.5	Confident	34 Å²	34	72.5 Å²	72.5	21%	0.206	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-43.1	176.7	173.9	0	0	0	0	111.1	E613 I617 P685 I691 C692 L693	E613-V689 HydrophobicContact CB-CG2 3.55Å; E613-V689 HydrophobicContact CG-CG2 4.07Å; I617-V689 HydrophobicContact CD1-CG1 4.36Å; P685-V689 PolarHBondContact O-N 3.48Å; V689-I691 PolarHBondContact O-N 3.4Å; V689-C692 PolarHBondContact O-N 2.71Å; V689-L693 HydrophobicContact CG1-CD1 3.81Å; V689-L693 HydrophobicContact CG1-CG 4.22Å; V689-L693 WeakPolarHBondContact O-CB 3.49Å; V689-L693 WeakPolarHBondContact O-CG 3.5Å; V689-L693 PolarHBondContact O-N 2.92Å
690	F	91.1	Very high	85	Confident	162 Å²	162	65 Å²	65	71%	0.711	35%	0.354	S	S	*	.	H	α-helix	trans	-62.7	-42	177.3	-166.6	-91.8	0	0	0	113	S686 Q688 G694	S686-F690 PolarHBondContact O-N 3.3Å; Q688-F690 VanDerWaalsContact C-N 3.32Å; Q688-F690 PolarHBondContact O-N 3.3Å; F690-G694 PolarHBondContact O-N 3.36Å
691	I	89.4	Confident	86.4	Confident	64 Å²	64	66.8 Å²	66.8	33%	0.328	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-43.7	174.4	-70	164.6	0	0	0	110.9	T661 F682 S687 Q688 V689 G694 L695	T661-I691 HydrophobicContact CG2-CB 4.47Å; T661-I691 HydrophobicContact CG2-CG2 4.35Å; F682-I691 HydrophobicContact CB-CD1 4.46Å; S687-I691 WeakPolarHBondContact O-CD1 3.48Å; S687-I691 VanDerWaalsContact O-CG1 3.26Å; S687-I691 WeakPolarHBondContact O-CG1 3.44Å; S687-I691 PolarHBondContact O-N 3.27Å; S687-I691 VanDerWaalsContact O-N 3.14Å; Q688-I691 PolarHBondContact O-N 3.42Å; V689-I691 PolarHBondContact O-N 3.4Å; I691-G694 PolarHBondContact O-N 2.87Å; I691-L695 HydrophobicContact CG2-CD1 4.47Å; I691-L695 WeakPolarHBondContact O-CG 3.36Å; I691-L695 PolarHBondContact O-N 2.89Å; I691-L695 VanDerWaalsContact O-N 3.12Å
692	C	92.4	Very high	87.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.3	-46.1	179.3	-175.4	0	0	0	0	112	L614 T661 Q688 V689 G694 L695 I696	L614-C692 HydrophobicContact CD2-CB 3.83Å; T661-C692 HydrophobicContact CG2-CB 4.28Å; T661-C692 WeakPolarHBondContact OG1-CA 3.49Å; Q688-C692 WeakPolarHBondContact O-CB 3.28Å; Q688-C692 PolarHBondContact O-N 2.97Å; V689-C692 PolarHBondContact O-N 2.71Å; C692-G694 VanDerWaalsContact C-N 3.34Å; C692-G694 PolarHBondContact O-N 3.26Å; C692-L695 PolarHBondContact O-N 3.47Å; C692-I696 WeakPolarHBondContact O-CD1 3.41Å; C692-I696 VanDerWaalsContact O-CG1 3.32Å; C692-I696 WeakPolarHBondContact O-CG1 3.43Å; C692-I696 PolarHBondContact O-N 2.93Å; C692-I696 VanDerWaalsContact O-N 3.09Å
693	L	92.1	Very high	88.6	Confident	94 Å²	94	56.8 Å²	56.8	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-35.8	175.6	-69.3	174.4	0	0	0	112.3	V689 I696 L697	V689-L693 HydrophobicContact CG1-CD1 3.81Å; V689-L693 HydrophobicContact CG1-CG 4.22Å; V689-L693 WeakPolarHBondContact O-CB 3.49Å; V689-L693 WeakPolarHBondContact O-CG 3.5Å; V689-L693 PolarHBondContact O-N 2.92Å; L693-I696 PolarHBondContact O-N 3.26Å; L693-L697 WeakPolarHBondContact O-CB 3.31Å; L693-L697 PolarHBondContact O-N 2.93Å
694	G	93.4	Very high	89.3	Confident	34 Å²	34	57.4 Å²	57.4	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-40.2	174.7	0	0	0	0	0	113.3	F690 I691 C692 V698	F690-G694 PolarHBondContact O-N 3.36Å; I691-G694 PolarHBondContact O-N 2.87Å; C692-G694 VanDerWaalsContact C-N 3.34Å; C692-G694 PolarHBondContact O-N 3.26Å; G694-V698 PolarHBondContact O-N 3.44Å
695	L	93.4	Very high	89.7	Confident	43 Å²	43	58 Å²	58	23%	0.225	33%	0.331	C	S	.	.	H	α-helix	trans	-68.2	-41.6	174.2	-66.8	168.8	0	0	0	111.9	S657 L660 I691 C692 L697 V698 Y743 L747	S657-L695 VanDerWaalsContact OG-CB 3.23Å; S657-L695 WeakPolarHBondContact OG-CB 3.13Å; L660-L695 HydrophobicContact CD2-CD1 4.11Å; I691-L695 HydrophobicContact CG2-CD1 4.47Å; I691-L695 WeakPolarHBondContact O-CG 3.36Å; I691-L695 PolarHBondContact O-N 2.89Å; I691-L695 VanDerWaalsContact O-N 3.12Å; C692-L695 PolarHBondContact O-N 3.47Å; L695-L697 VanDerWaalsContact C-N 3.32Å; L695-L697 PolarHBondContact O-N 3.1Å; L695-V698 PolarHBondContact O-N 3.02Å; L695-Y743 PolarHBondContact O-OH 3.41Å; L695-L747 HydrophobicContact CD2-CD2 4.49Å
696	I	94.6	Very high	90	Very high	16 Å²	16	58 Å²	58	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-40.2	176.1	-67.7	163.8	0	0	0	111.2	I617 I654 C692 L693 V698 Q699 I700	I617-I696 HydrophobicContact CG2-CD1 4.08Å; I654-I696 HydrophobicContact CB-CD1 4.37Å; I654-I696 HydrophobicContact CG1-CD1 4.05Å; I654-I696 HydrophobicContact CG1-CG1 4.14Å; I654-I696 HydrophobicContact CG1-CG2 4.03Å; I654-I696 HydrophobicContact CG2-CD1 4.42Å; C692-I696 WeakPolarHBondContact O-CD1 3.41Å; C692-I696 VanDerWaalsContact O-CG1 3.32Å; C692-I696 WeakPolarHBondContact O-CG1 3.43Å; C692-I696 PolarHBondContact O-N 2.93Å; C692-I696 VanDerWaalsContact O-N 3.09Å; L693-I696 PolarHBondContact O-N 3.26Å; I696-V698 VanDerWaalsContact C-N 3.28Å; I696-V698 PolarHBondContact O-N 2.87Å; I696-Q699 PolarHBondContact O-N 2.95Å; I696-I700 HydrophobicContact CG2-CD1 3.79Å; I696-I700 HydrophobicContact CG2-CG1 4.37Å; I696-I700 WeakPolarHBondContact O-CG1 3.29Å; I696-I700 PolarHBondContact O-N 3.14Å; I696-I700 VanDerWaalsContact O-N 3.14Å
697	L	93.8	Very high	90.1	Very high	103 Å²	103	55.2 Å²	55.2	54%	0.539	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-34.3	179.4	-176.7	62.8	0	0	0	112.6	L693 L695 I700 V701	L693-L697 WeakPolarHBondContact O-CB 3.31Å; L693-L697 PolarHBondContact O-N 2.93Å; L695-L697 VanDerWaalsContact C-N 3.32Å; L695-L697 PolarHBondContact O-N 3.1Å; L697-I700 PolarHBondContact O-N 3.38Å; L697-V701 HydrophobicContact CD1-CG2 4.18Å; L697-V701 HydrophobicContact CG-CG2 4.36Å; L697-V701 WeakPolarHBondContact O-CG2 3.35Å; L697-V701 PolarHBondContact O-N 3.4Å
698	V	93.7	Very high	90.1	Very high	64 Å²	64	60.7 Å²	60.7	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-48.6	176.2	174.2	0	0	0	0	110.9	G694 L695 I696 V701 M702 Y743	G694-V698 PolarHBondContact O-N 3.44Å; L695-V698 PolarHBondContact O-N 3.02Å; I696-V698 VanDerWaalsContact C-N 3.28Å; I696-V698 PolarHBondContact O-N 2.87Å; V698-V701 PolarHBondContact O-N 3.48Å; V698-M702 HydrophobicContact CG1-SD 4.01Å; V698-M702 WeakPolarHBondContact O-CG 3.18Å; V698-M702 PolarHBondContact O-N 2.88Å; V698-Y743 HydrophobicContact CB-CE1 4.39Å; V698-Y743 HydrophobicContact CB-CE2 4.36Å; V698-Y743 HydrophobicContact CG1-CD2 4.2Å; V698-Y743 HydrophobicContact CG1-CE1 4.36Å; V698-Y743 HydrophobicContact CG1-CE2 3.7Å
699	Q	92.8	Very high	90	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-40.1	179.2	-173.5	65.8	-34.5	0	0	111.7	A653 I696 V701 M702 V703 S740 Y743 D744	A653-Q699 HydrophobicContact CB-CB 3.61Å; A653-Q699 HydrophobicContact CB-CG 3.66Å; I696-Q699 PolarHBondContact O-N 2.95Å; Q699-V701 PolarHBondContact O-N 3.43Å; Q699-M702 PolarHBondContact O-N 3.19Å; Q699-V703 HydrophobicContact CG-CG2 4.34Å; Q699-V703 WeakPolarHBondContact O-CG2 3.42Å; Q699-V703 PolarHBondContact O-N 2.89Å; Q699-S740 PolarHBondContact NE2-O 3.47Å; Q699-Y743 HydrophobicContact CB-CD1 3.77Å; Q699-Y743 HydrophobicContact CB-CE1 4.01Å; Q699-Y743 HydrophobicContact CG-CD1 4.29Å; Q699-D744 PolarHBondContact NE2-OD2 3.06Å
700	I	91	Very high	89.6	Confident	75 Å²	75	67.2 Å²	67.2	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-48.7	176.9	-66.8	173	0	0	0	110.4	I696 L697 M702 V703 S704	I696-I700 HydrophobicContact CG2-CD1 3.79Å; I696-I700 HydrophobicContact CG2-CG1 4.37Å; I696-I700 WeakPolarHBondContact O-CG1 3.29Å; I696-I700 PolarHBondContact O-N 3.14Å; I696-I700 VanDerWaalsContact O-N 3.14Å; L697-I700 PolarHBondContact O-N 3.38Å; I700-M702 PolarHBondContact O-N 3.17Å; I700-V703 PolarHBondContact O-N 3.34Å; I700-S704 WeakPolarHBondContact O-CB 3.48Å; I700-S704 PolarHBondContact O-N 2.99Å; I700-S704 PolarHBondContact O-OG 3.08Å; I700-S704 VanDerWaalsContact O-OG 3.08Å
701	V	91.1	Very high	89.3	Confident	81 Å²	81	63.2 Å²	63.2	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-44.3	178.2	171.7	0	0	0	0	111.4	L697 V698 Q699 V703 S704 V705	L697-V701 HydrophobicContact CD1-CG2 4.18Å; L697-V701 HydrophobicContact CG-CG2 4.36Å; L697-V701 WeakPolarHBondContact O-CG2 3.35Å; L697-V701 PolarHBondContact O-N 3.4Å; V698-V701 PolarHBondContact O-N 3.48Å; Q699-V701 PolarHBondContact O-N 3.43Å; V701-V703 PolarHBondContact O-N 3.28Å; V701-S704 PolarHBondContact O-N 3.48Å; V701-V705 WeakPolarHBondContact O-CG2 3.42Å; V701-V705 PolarHBondContact O-N 3.48Å
702	M	88.6	Confident	89	Confident	92 Å²	92	62.3 Å²	62.3	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-58.3	-48.7	177.7	-76	178.7	60.3	0	0	112	V698 Q699 I700 V705 W706 Y743	V698-M702 HydrophobicContact CG1-SD 4.01Å; V698-M702 WeakPolarHBondContact O-CG 3.18Å; V698-M702 PolarHBondContact O-N 2.88Å; Q699-M702 PolarHBondContact O-N 3.19Å; I700-M702 PolarHBondContact O-N 3.17Å; M702-V705 PolarHBondContact O-N 3.45Å; M702-W706 WeakPolarHBondContact O-CB 3.42Å; M702-W706 PolarHBondContact O-N 3.35Å; M702-Y743 HydrophobicContact SD-CD2 4.44Å; M702-Y743 HydrophobicContact SD-CG 4.42Å
703	V	87.6	Confident	88.7	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-74	-31.2	-178	-174.8	0	0	0	0	112.1	R645 L646 Q699 I700 V701 W706 L707	R645-V703 WeakPolarHBondContact O-CG1 3.39Å; L646-V703 HydrophobicContact CD2-CG1 4.02Å; Q699-V703 HydrophobicContact CG-CG2 4.34Å; Q699-V703 WeakPolarHBondContact O-CG2 3.42Å; Q699-V703 PolarHBondContact O-N 2.89Å; I700-V703 PolarHBondContact O-N 3.34Å; V701-V703 PolarHBondContact O-N 3.28Å; V703-W706 PolarHBondContact O-N 2.83Å; V703-L707 PolarHBondContact O-N 3.26Å
704	S	86.7	Confident	88.5	Confident	52 Å²	52	61.5 Å²	61.5	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-41.5	170.9	-70.2	0	0	0	0	112.6	I700 V701 L707 I708	I700-S704 WeakPolarHBondContact O-CB 3.48Å; I700-S704 PolarHBondContact O-N 2.99Å; I700-S704 PolarHBondContact O-OG 3.08Å; I700-S704 VanDerWaalsContact O-OG 3.08Å; V701-S704 PolarHBondContact O-N 3.48Å; S704-L707 PolarHBondContact O-N 3.42Å; S704-I708 WeakPolarHBondContact O-CG1 3.49Å; S704-I708 PolarHBondContact O-N 3.02Å
705	V	88.1	Confident	88	Confident	76 Å²	76	67.1 Å²	67.1	46%	0.461	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-41.7	173.7	173.2	0	0	0	0	110.8	V701 M702 L707 I708 L709	V701-V705 WeakPolarHBondContact O-CG2 3.42Å; V701-V705 PolarHBondContact O-N 3.48Å; M702-V705 PolarHBondContact O-N 3.45Å; V705-L707 VanDerWaalsContact C-N 3.3Å; V705-L707 PolarHBondContact O-N 3.45Å; V705-I708 PolarHBondContact O-N 2.95Å; V705-L709 HydrophobicContact CG1-CD1 3.91Å; V705-L709 HydrophobicContact CG1-CG 4.35Å; V705-L709 WeakPolarHBondContact O-CG 3.35Å; V705-L709 PolarHBondContact O-N 2.88Å; V705-L709 VanDerWaalsContact O-N 3.12Å
706	W	85	Confident	87.5	Confident	78 Å²	78	71.2 Å²	71.2	30%	0.295	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-37.9	177.2	-155.8	-117.3	0	0	0	112.4	R645 M702 V703 I708 L709 E710 S736 I739	R645-W706 VanDerWaalsContact CZ-CD1 3.45Å; R645-W706 PolarHBondContact NH1-O 3.41Å; R645-W706 PolarHBondContact NH2-O 3.2Å; M702-W706 WeakPolarHBondContact O-CB 3.42Å; M702-W706 PolarHBondContact O-N 3.35Å; V703-W706 PolarHBondContact O-N 2.83Å; W706-I708 VanDerWaalsContact C-N 3.35Å; W706-I708 PolarHBondContact O-N 3.41Å; W706-L709 PolarHBondContact O-N 3.47Å; W706-E710 PolarHBondContact O-N 3.48Å; W706-S736 WeakPolarHBondContact CZ2-OG 3.38Å; W706-S736 PolarHBondContact NE1-OG 3.13Å; W706-I739 HydrophobicContact CH2-CG2 3.93Å; W706-I739 HydrophobicContact CZ2-CG2 4Å
707	L	84.8	Confident	86.7	Confident	35 Å²	35	76.1 Å²	76.1	18%	0.183	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-31.5	172.9	-84.2	-172.9	0	0	0	114.5	R645 L646 V703 S704 V705 E710 P712	R645-L707 HydrophobicContact CG-CD2 4.48Å; L646-L707 HydrophobicContact CD1-CD1 3.74Å; L646-L707 HydrophobicContact CD2-CD1 3.86Å; L646-L707 HydrophobicContact CG-CD1 3.67Å; L646-L707 HydrophobicContact CG-CG 4.47Å; V703-L707 PolarHBondContact O-N 3.26Å; S704-L707 PolarHBondContact O-N 3.42Å; V705-L707 VanDerWaalsContact C-N 3.3Å; V705-L707 PolarHBondContact O-N 3.45Å; L707-E710 VanDerWaalsContact O-O 3.14Å; L707-P712 HydrophobicContact CD2-CG 4.3Å
708	I	84.9	Confident	85.7	Confident	142 Å²	142	72.6 Å²	72.6	73%	0.728	38%	0.379	S	S	*	.	H	α-helix	trans	-79	-34.9	179.7	-65.2	164.8	0	0	0	110.4	S704 V705 W706	S704-I708 WeakPolarHBondContact O-CG1 3.49Å; S704-I708 PolarHBondContact O-N 3.02Å; V705-I708 PolarHBondContact O-N 2.95Å; W706-I708 VanDerWaalsContact C-N 3.35Å; W706-I708 PolarHBondContact O-N 3.41Å
709	L	85.3	Confident	84.6	Confident	129 Å²	129	72.6 Å²	72.6	68%	0.675	38%	0.376	S	S	*	.	H	α-helix	trans	-78.3	-35.3	-177.6	-65.9	174.7	0	0	0	114.2	V705 W706	V705-L709 HydrophobicContact CG1-CD1 3.91Å; V705-L709 HydrophobicContact CG1-CG 4.35Å; V705-L709 WeakPolarHBondContact O-CG 3.35Å; V705-L709 PolarHBondContact O-N 2.88Å; V705-L709 VanDerWaalsContact O-N 3.12Å; W706-L709 PolarHBondContact O-N 3.47Å
710	E	82.3	Confident	83.2	Confident	67 Å²	67	77.2 Å²	77.2	31%	0.313	42%	0.415	S	S	.	.	S	Bend	trans	-121.1	110.4	168	-38.8	177.5	109	0	0	108.5	R645 W706 L707 S736	R645-E710 IonicContact CZ-OE2 3.28Å; R645-E710 PolarHBondContact NH1-O 3.03Å; R645-E710 IonicContact NH2-OE2 2.96Å; R645-E710 PolarHBondContact NH2-OE2 3.31Å; W706-E710 PolarHBondContact O-N 3.48Å; L707-E710 VanDerWaalsContact O-O 3.14Å; E710-S736 PolarHBondContact OE2-OG 3.41Å
711	A	83.4	Confident	82	Confident	78 Å²	78	82.5 Å²	82.5	65%	0.645	44%	0.437	S	S	*	.			trans	-67.4	133.8	-177.8	0	0	0	0	0	111.8	G713	A711-G713 PolarHBondContact O-N 3.48Å
712	P	84.4	Confident	80.8	Confident	44 Å²	44	85.3 Å²	85.3	29%	0.286	44%	0.443	S	S	.	.			trans	-72.4	118.5	-178.9	29	-34	0	0	0	111.4	A642 L707	A642-P712 HydrophobicContact CB-CB 3.89Å; A642-P712 HydrophobicContact CB-CG 3.87Å; L707-P712 HydrophobicContact CD2-CG 4.3Å
713	G	85.8	Confident	79.9	Confident	17 Å²	17	84 Å²	84	18%	0.175	43%	0.433	C	S	.	.			trans	-142.5	-171.4	176.7	0	0	0	0	0	112.7	A711 N731	A711-G713 PolarHBondContact O-N 3.48Å; G713-N731 PolarHBondContact O-N 3.02Å
714	T	88.1	Confident	79.1	Confident	61 Å²	61	90.1 Å²	90.1	37%	0.374	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.9	175.7	44.7	0	0	0	0	110.8	P636 K729	P636-T714 HydrophobicContact CB-CG2 4.05Å; T714-K729 CarbonylContact C-O 3.53Å; T714-K729 WeakPolarHBondContact CA-O 2.87Å
715	R	82.8	Confident	78.7	Confident	152 Å²	152	90.4 Å²	90.4	57%	0.574	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.7	177.6	-176.6	172.8	-178.7	-175.4	1.2	109.8	K729 N731	R715-K729 PolarHBondContact N-O 3.39Å; R715-K729 PolarHBondContact O-N 3.38Å; R715-N731 HydrophobicContact CB-CB 4.2Å
716	R	83.3	Confident	78.5	Confident	129 Å²	129	87 Å²	87	49%	0.487	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	141.1	167.1	-71.9	178.2	175.6	-179	-3.5	109.3	D564 E567 V726 L728	D564-R716 IonicContact OD2-CZ 2.98Å; D564-R716 IonicContact OD2-NH1 3.27Å; D564-R716 PolarHBondContact OD2-NH1 3Å; D564-R716 IonicContact OD2-NH2 3.5Å; E567-R716 IonicContact OE1-CZ 2.7Å; E567-R716 VanDerWaalsContact OE1-CZ 3.3Å; E567-R716 IonicContact OE1-NE 3.84Å; E567-R716 PolarHBondContact OE1-NE 2.81Å; E567-R716 IonicContact OE1-NH2 2.89Å; E567-R716 PolarHBondContact OE1-NH2 3.23Å; R716-V726 HydrophobicContact CB-CG1 3.63Å; R716-V726 HydrophobicContact CG-CG1 3.72Å; R716-L728 HydrophobicContact CG-CD1 4.29Å
717	Y	77.3	Confident	78.6	Confident	118 Å²	118	84.2 Å²	84.2	46%	0.463	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	122.3	-179.9	179.7	-100.2	0	0	0	111.2	L719 I727	Y717-L719 HydrophobicContact CD1-CD1 4.04Å; Y717-L719 HydrophobicContact CE1-CD1 3.67Å; Y717-L719 HydrophobicContact CE1-CG 4.07Å; Y717-I727 PolarHBondContact N-O 2.97Å; Y717-I727 PolarHBondContact O-N 2.99Å
718	T	74	Confident	78.7	Confident	30 Å²	30	83 Å²	83	18%	0.184	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.4	172.6	49.1	0	0	0	0	109.9	V726	T718-V726 HydrophobicContact CG2-CG2 3.83Å
719	L	70.7	Confident	78.7	Confident	64 Å²	64	79.2 Å²	79.2	34%	0.335	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.7	168.8	-78.2	75.2	0	0	0	108.8	Y717 E721 K722 R723 I727	Y717-L719 HydrophobicContact CD1-CD1 4.04Å; Y717-L719 HydrophobicContact CE1-CD1 3.67Å; Y717-L719 HydrophobicContact CE1-CG 4.07Å; L719-E721 PolarHBondContact O-N 3.34Å; L719-K722 HydrophobicContact CB-CB 4.4Å; L719-K722 CarbonylContact O-C 3.6Å; L719-K722 PolarHBondContact O-N 3.14Å; L719-R723 PolarHBondContact O-N 3.33Å; L719-I727 HydrophobicContact CD1-CD1 3.62Å
720	A	62.4	Low	78.8	Confident	99 Å²	99	74.2 Å²	74.2	82%	0.818	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.3	179.2	0	0	0	0	0	112.5	K722	A720-K722 VanDerWaalsContact C-N 3.29Å; A720-K722 PolarHBondContact O-N 3.24Å
721	E	65	Low	78.9	Confident	185 Å²	185	75 Å²	75	86%	0.864	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.4	177.4	-60.2	175.8	166.6	0	0	113.7	L719	L719-E721 PolarHBondContact O-N 3.34Å
722	K	66.6	Low	78.6	Confident	141 Å²	141	73.5 Å²	73.5	61%	0.613	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.3	71.6	-179	-68	-167.9	177.3	-174.7	0	110.7	L719 A720 E724	L719-K722 HydrophobicContact CB-CB 4.4Å; L719-K722 CarbonylContact O-C 3.6Å; L719-K722 PolarHBondContact O-N 3.14Å; A720-K722 VanDerWaalsContact C-N 3.29Å; A720-K722 PolarHBondContact O-N 3.24Å; K722-E724 PolarHBondContact O-N 2.97Å
723	R	69.8	Low	78.3	Confident	63 Å²	63	78.3 Å²	78.3	24%	0.238	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-26.5	175	-83.3	-176.9	170.6	-129.8	13.9	113.3	Y537 D548 W554 L565 L719 T725	Y537-R723 VanDerWaalsContact CD2-CZ 3.46Å; D548-R723 IonicContact OD1-CZ 3.61Å; D548-R723 IonicContact OD1-NH1 2.68Å; D548-R723 PolarHBondContact OD1-NH1 3.42Å; D548-R723 IonicContact OD1-NH2 2.74Å; D548-R723 PolarHBondContact OD1-NH2 2.86Å; D548-R723 IonicContact OD2-CZ 3.74Å; D548-R723 IonicContact OD2-NH1 3.97Å; D548-R723 PolarHBondContact OD2-NH1 2.84Å; D548-R723 IonicContact OD2-NH2 2.74Å; D548-R723 PolarHBondContact OD2-NH2 2.92Å; W554-R723 HydrophobicContact CZ3-CB 3.8Å; L565-R723 WeakPolarHBondContact CD1-O 3.37Å; L719-R723 PolarHBondContact O-N 3.33Å; R723-T725 PolarHBondContact O-N 3.33Å; R723-T725 VanDerWaalsContact O-N 3.08Å
724	E	71.6	Confident	77.6	Confident	133 Å²	133	80.5 Å²	80.5	62%	0.621	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	-16.1	-175.9	-63.6	174.3	-175.9	0	0	115.8	W554 K722	W554-E724 HydrophobicContact CH2-CG 3.83Å; W554-E724 HydrophobicContact CZ2-CG 4.47Å; W554-E724 HydrophobicContact CZ3-CG 4Å; K722-E724 PolarHBondContact O-N 2.97Å
725	T	77.2	Confident	77	Confident	58 Å²	58	80.3 Å²	80.3	36%	0.356	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.1	-178.4	57.4	0	0	0	0	113.5	R723	R723-T725 PolarHBondContact O-N 3.33Å; R723-T725 VanDerWaalsContact O-N 3.08Å
726	V	84.6	Confident	76.8	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.5	-178.7	179	0	0	0	0	109.7	L565 E567 D568 R716 T718 L728	L565-V726 HydrophobicContact CB-CG2 3.71Å; L565-V726 HydrophobicContact CD1-CG2 4.45Å; E567-V726 CarbonylContact C-O 3.57Å; E567-V726 WeakPolarHBondContact CA-O 3.4Å; D568-V726 PolarHBondContact N-O 3.42Å; R716-V726 HydrophobicContact CB-CG1 3.63Å; R716-V726 HydrophobicContact CG-CG1 3.72Å; T718-V726 HydrophobicContact CG2-CG2 3.83Å; V726-L728 PolarHBondContact O-N 2.74Å
727	I	86.4	Confident	76.4	Confident	20 Å²	20	69.3 Å²	69.3	10%	0.103	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126	177.7	-54.7	177.2	0	0	0	109.4	Y717 L719 K729 Y796	Y717-I727 PolarHBondContact N-O 2.97Å; Y717-I727 PolarHBondContact O-N 2.99Å; L719-I727 HydrophobicContact CD1-CD1 3.62Å; I727-K729 HydrophobicContact CG2-CG 4.16Å; I727-Y796 HydrophobicContact CD1-CD1 4.23Å; I727-Y796 HydrophobicContact CD1-CE1 4.06Å; I727-Y796 HydrophobicContact CG1-CE1 4.37Å; I727-Y796 HydrophobicContact CG2-CD1 3.83Å; I727-Y796 HydrophobicContact CG2-CE1 3.69Å; I727-Y796 HydrophobicContact CG2-CE2 4.38Å; I727-Y796 HydrophobicContact CG2-CG 4.26Å
728	L	86.6	Confident	76.4	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.052	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.6	175.6	-174.6	70.3	0	0	0	110.7	E567 D568 K635 P636 R716 V726	E567-L728 HydrophobicContact CB-CB 4.45Å; D568-L728 PolarHBondContact O-N 3.02Å; K635-L728 HydrophobicContact CD-CD2 4.43Å; K635-L728 HydrophobicContact CG-CD2 4.2Å; P636-L728 HydrophobicContact CB-CD2 4.24Å; P636-L728 HydrophobicContact CB-CG 4.2Å; P636-L728 HydrophobicContact CG-CG 4.48Å; R716-L728 HydrophobicContact CG-CD1 4.29Å; V726-L728 PolarHBondContact O-N 2.74Å
729	K	85.9	Confident	76.8	Confident	62 Å²	62	67.6 Å²	67.6	27%	0.27	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	166.1	174.3	-66.4	-165.3	179.1	-166.7	0	111.7	T714 R715 I727	T714-K729 CarbonylContact C-O 3.53Å; T714-K729 WeakPolarHBondContact CA-O 2.87Å; R715-K729 PolarHBondContact N-O 3.39Å; R715-K729 PolarHBondContact O-N 3.38Å; I727-K729 HydrophobicContact CG2-CG 4.16Å
730	C	86.9	Confident	77.3	Confident	24 Å²	24	65.2 Å²	65.2	16%	0.162	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	145.6	161.4	-68.5	0	0	0	0	110.1	C641 V732	C641-C730 VanDerWaalsContact CA-SG 3.53Å; C641-C730 HydrophobicContact CB-CB 3.77Å; C641-C730 WeakPolarHBondContact CB-SG 3.36Å; C641-C730 WeakPolarHBondContact SG-CA 3.29Å; C641-C730 WeakPolarHBondContact SG-CB 3.24Å; C641-C730 CovalentContact SG-SG 2.04Å; C641-C730 PolarHBondContact SG-SG 2.91Å; C730-V732 HydrophobicContact CB-CG2 4.34Å; C730-V732 PolarHBondContact O-N 3.12Å
731	N	84.1	Confident	78.4	Confident	85 Å²	85	61.1 Å²	61.1	46%	0.455	30%	0.304	S	S	.	.	S	Bend	trans	-79.9	69	176.8	-170.8	38.5	0	0	0	111	G713 R715	G713-N731 PolarHBondContact O-N 3.02Å; R715-N731 HydrophobicContact CB-CB 4.2Å
732	V	77.7	Confident	79.5	Confident	46 Å²	46	55.9 Å²	55.9	28%	0.279	29%	0.286	S	S	.	.			trans	-139.1	143.1	-179.3	-178.1	0	0	0	0	107.8	C730	C730-V732 HydrophobicContact CB-CG2 4.34Å; C730-V732 PolarHBondContact O-N 3.12Å
733	K	76.9	Confident	80.7	Confident	144 Å²	144	50.5 Å²	50.5	63%	0.626	26%	0.262	S	S	*	.			trans	-79.6	134.4	170.4	-63.2	172.4	-176.9	169.4	0	109.2	S735 S736	K733-S735 PolarHBondContact O-N 2.99Å; K733-S736 WeakPolarHBondContact O-CA 3.49Å; K733-S736 VanDerWaalsContact O-CB 3.27Å; K733-S736 WeakPolarHBondContact O-CB 3.32Å; K733-S736 PolarHBondContact O-N 2.98Å
734	D	71.6	Confident	81.7	Confident	63 Å²	63	47.9 Å²	47.9	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-52.3	-34.9	-179.5	-61.7	21.7	0	0	0	112.9	M737 L738 F789 Q799	D734-M737 WeakPolarHBondContact O-CB 3.36Å; D734-M737 PolarHBondContact O-N 3.06Å; D734-L738 PolarHBondContact O-N 3.23Å; D734-F789 HydrophobicContact CB-CE1 4.43Å; D734-Q799 PolarHBondContact OD2-NE2 3.38Å
735	S	75.3	Confident	82.6	Confident	58 Å²	58	45.2 Å²	45.2	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-34.6	173.3	53.3	0	0	0	0	114.3	K733 M737 L738 I739	K733-S735 PolarHBondContact O-N 2.99Å; S735-M737 PolarHBondContact O-N 3.32Å; S735-L738 PolarHBondContact O-N 2.65Å; S735-I739 WeakPolarHBondContact O-CB 3.27Å; S735-I739 WeakPolarHBondContact O-CD1 3.35Å; S735-I739 WeakPolarHBondContact O-CG1 3.21Å; S735-I739 PolarHBondContact O-N 2.88Å
736	S	78.1	Confident	83.3	Confident	5 Å²	5	46.4 Å²	46.4	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-32.3	174.9	177.5	0	0	0	0	111.4	W706 E710 K733 S740	W706-S736 WeakPolarHBondContact CZ2-OG 3.38Å; W706-S736 PolarHBondContact NE1-OG 3.13Å; E710-S736 PolarHBondContact OE2-OG 3.41Å; K733-S736 WeakPolarHBondContact O-CA 3.49Å; K733-S736 VanDerWaalsContact O-CB 3.27Å; K733-S736 WeakPolarHBondContact O-CB 3.32Å; K733-S736 PolarHBondContact O-N 2.98Å; S736-S740 PolarHBondContact O-N 3.21Å
737	M	75.6	Confident	83.6	Confident	44 Å²	44	46.3 Å²	46.3	22%	0.217	25%	0.247	C	C	.	.	H	α-helix	trans	-71.8	-40.9	175.6	-167.1	173.5	71.9	0	0	112.5	F632 L648 D734 S735 S740 F789 M803	F632-M737 HydrophobicContact CE1-SD 4.16Å; L648-M737 HydrophobicContact CD2-CG 4.06Å; D734-M737 WeakPolarHBondContact O-CB 3.36Å; D734-M737 PolarHBondContact O-N 3.06Å; S735-M737 PolarHBondContact O-N 3.32Å; M737-S740 PolarHBondContact O-N 3.2Å; M737-S740 PolarHBondContact O-OG 2.7Å; M737-F789 HydrophobicContact CE-CE1 4.41Å; M737-F789 HydrophobicContact CE-CE2 3.47Å; M737-F789 VanDerWaalsContact CE-CE2 3.47Å; M737-F789 HydrophobicContact CE-CZ 3.35Å; M737-M803 HydrophobicContact CE-CE 3.69Å; M737-M803 HydrophobicContact CE-SD 3.42Å; M737-M803 WeakPolarHBondContact CE-SD 3.29Å; M737-M803 HydrophobicContact CG-CE 4.42Å; M737-M803 HydrophobicContact SD-CE 3.58Å; M737-M803 VanDerWaalsContact SD-CE 3.58Å; M737-M803 HydrophobicContact SD-SD 3.88Å
738	L	77.8	Confident	83.9	Confident	22 Å²	22	46.1 Å²	46.1	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-39.9	174.8	-68.2	175.1	0	0	0	112.3	D734 S735 S740 L741 F785 L786 F789 Y790	D734-L738 PolarHBondContact O-N 3.23Å; S735-L738 PolarHBondContact O-N 2.65Å; L738-S740 PolarHBondContact O-N 3.3Å; L738-L741 PolarHBondContact O-N 3.09Å; L738-L741 VanDerWaalsContact O-N 3.13Å; L738-F785 HydrophobicContact CD2-CE1 4.32Å; L738-L786 HydrophobicContact CD2-CD2 4.11Å; L738-F789 HydrophobicContact CD1-CD1 3.86Å; L738-F789 HydrophobicContact CD1-CE1 3.95Å; L738-F789 HydrophobicContact CD2-CD1 3.95Å; L738-F789 HydrophobicContact CD2-CE1 4.18Å; L738-F789 HydrophobicContact CD2-CG 4.49Å; L738-F789 HydrophobicContact CG-CD1 4.12Å; L738-F789 HydrophobicContact CG-CE1 4Å; L738-Y790 HydrophobicContact CD1-CD2 4.38Å; L738-Y790 HydrophobicContact CD1-CE1 4.18Å; L738-Y790 HydrophobicContact CD1-CE2 3.55Å; L738-Y790 VanDerWaalsContact CD1-CZ 3.44Å; L738-Y790 WeakPolarHBondContact CD1-OH 3.47Å
739	I	81.2	Confident	84.1	Confident	90 Å²	90	50.4 Å²	50.4	46%	0.462	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-35.3	177.4	-71.4	163.5	0	0	0	111.4	W706 S735 L741 T742	W706-I739 HydrophobicContact CH2-CG2 3.93Å; W706-I739 HydrophobicContact CZ2-CG2 4Å; S735-I739 WeakPolarHBondContact O-CB 3.27Å; S735-I739 WeakPolarHBondContact O-CD1 3.35Å; S735-I739 WeakPolarHBondContact O-CG1 3.21Å; S735-I739 PolarHBondContact O-N 2.88Å; I739-L741 PolarHBondContact O-N 2.88Å; I739-L741 VanDerWaalsContact O-N 3.15Å; I739-T742 WeakPolarHBondContact O-CB 3.49Å; I739-T742 PolarHBondContact O-N 2.87Å; I739-T742 VanDerWaalsContact O-N 3.09Å; I739-T742 PolarHBondContact O-OG1 2.85Å
740	S	81.8	Confident	84.4	Confident	14 Å²	14	50.9 Å²	50.9	10%	0.098	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.3	178.1	76.9	0	0	0	0	114.6	Q699 S736 M737 L738	Q699-S740 PolarHBondContact NE2-O 3.47Å; S736-S740 PolarHBondContact O-N 3.21Å; M737-S740 PolarHBondContact O-N 3.2Å; M737-S740 PolarHBondContact O-OG 2.7Å; L738-S740 PolarHBondContact O-N 3.3Å
741	L	86.1	Confident	84.5	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.4	178.4	-61.4	172.7	0	0	0	113.8	L648 F652 L738 I739 Y743 D744 V745 W782	L648-L741 HydrophobicContact CD2-CD1 4.35Å; L648-L741 HydrophobicContact CD2-CD2 4.04Å; L648-L741 HydrophobicContact CD2-CG 4.35Å; L648-L741 HydrophobicContact CG-CD2 4.07Å; F652-L741 HydrophobicContact CD2-CD2 4.29Å; L738-L741 PolarHBondContact O-N 3.09Å; L738-L741 VanDerWaalsContact O-N 3.13Å; I739-L741 PolarHBondContact O-N 2.88Å; I739-L741 VanDerWaalsContact O-N 3.15Å; L741-Y743 VanDerWaalsContact C-N 3.27Å; L741-Y743 PolarHBondContact O-N 3.17Å; L741-D744 WeakPolarHBondContact O-CB 3.01Å; L741-D744 PolarHBondContact O-N 3.05Å; L741-V745 WeakPolarHBondContact O-CG2 3.27Å; L741-V745 PolarHBondContact O-N 3.15Å; L741-W782 HydrophobicContact CD1-CH2 4.19Å; L741-W782 HydrophobicContact CD1-CZ3 3.83Å
742	T	88.1	Confident	84.8	Confident	76 Å²	76	47.2 Å²	47.2	47%	0.466	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-38.6	-176.6	-55.1	0	0	0	0	112.1	I739 V745 I746	I739-T742 WeakPolarHBondContact O-CB 3.49Å; I739-T742 PolarHBondContact O-N 2.87Å; I739-T742 VanDerWaalsContact O-N 3.09Å; I739-T742 PolarHBondContact O-OG1 2.85Å; T742-V745 PolarHBondContact O-N 2.94Å; T742-I746 HydrophobicContact CG2-CD1 4.49Å; T742-I746 WeakPolarHBondContact O-CG1 3.26Å; T742-I746 PolarHBondContact O-N 3.13Å; T742-I746 VanDerWaalsContact O-N 3.16Å
743	Y	91.4	Very high	85.4	Confident	28 Å²	28	49.1 Å²	49.1	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-68.5	-38.9	175.6	-175.8	-109.1	0	0	0	112.3	L695 V698 Q699 M702 L741 V745 I746 L747	L695-Y743 PolarHBondContact O-OH 3.41Å; V698-Y743 HydrophobicContact CB-CE1 4.39Å; V698-Y743 HydrophobicContact CB-CE2 4.36Å; V698-Y743 HydrophobicContact CG1-CD2 4.2Å; V698-Y743 HydrophobicContact CG1-CE1 4.36Å; V698-Y743 HydrophobicContact CG1-CE2 3.7Å; Q699-Y743 HydrophobicContact CB-CD1 3.77Å; Q699-Y743 HydrophobicContact CB-CE1 4.01Å; Q699-Y743 HydrophobicContact CG-CD1 4.29Å; M702-Y743 HydrophobicContact SD-CD2 4.44Å; M702-Y743 HydrophobicContact SD-CG 4.42Å; L741-Y743 VanDerWaalsContact C-N 3.27Å; L741-Y743 PolarHBondContact O-N 3.17Å; Y743-V745 VanDerWaalsContact C-N 3.34Å; Y743-V745 PolarHBondContact O-N 3.36Å; Y743-I746 WeakPolarHBondContact O-CB 3.47Å; Y743-I746 PolarHBondContact O-N 3.38Å; Y743-L747 HydrophobicContact CD1-CD1 3.95Å; Y743-L747 HydrophobicContact CD1-CG 4.23Å; Y743-L747 HydrophobicContact CE1-CD1 3.54Å; Y743-L747 HydrophobicContact CE1-CD2 4.26Å; Y743-L747 HydrophobicContact CE1-CG 3.85Å; Y743-L747 PolarHBondContact O-N 3.14Å
744	D	90.1	Very high	85.8	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-38.3	176	-65.4	-63	0	0	0	111.9	G649 F652 A653 Q699 L741 I746 L747 V748	G649-D744 VanDerWaalsContact CA-OD2 3.26Å; G649-D744 WeakPolarHBondContact CA-OD2 3.22Å; F652-D744 HydrophobicContact CB-CB 4.21Å; F652-D744 WeakPolarHBondContact CB-OD1 3.43Å; A653-D744 VanDerWaalsContact CA-OD1 3.27Å; A653-D744 WeakPolarHBondContact CA-OD1 3.3Å; A653-D744 WeakPolarHBondContact CB-OD1 3.37Å; A653-D744 PolarHBondContact N-OD1 3.37Å; Q699-D744 PolarHBondContact NE2-OD2 3.06Å; L741-D744 WeakPolarHBondContact O-CB 3.01Å; L741-D744 PolarHBondContact O-N 3.05Å; D744-I746 PolarHBondContact O-N 2.82Å; D744-L747 PolarHBondContact O-N 3.17Å; D744-V748 WeakPolarHBondContact O-CB 3.27Å; D744-V748 WeakPolarHBondContact O-CG2 3.46Å; D744-V748 PolarHBondContact O-N 2.73Å
745	V	90.6	Very high	86.5	Confident	77 Å²	77	42.8 Å²	42.8	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-42.3	171.9	173.3	0	0	0	0	111.2	L741 T742 Y743 V748 I749	L741-V745 WeakPolarHBondContact O-CG2 3.27Å; L741-V745 PolarHBondContact O-N 3.15Å; T742-V745 PolarHBondContact O-N 2.94Å; Y743-V745 VanDerWaalsContact C-N 3.34Å; Y743-V745 PolarHBondContact O-N 3.36Å; V745-V748 PolarHBondContact O-N 2.93Å; V745-I749 HydrophobicContact CG1-CD1 3.87Å; V745-I749 VanDerWaalsContact O-CG1 3.29Å; V745-I749 WeakPolarHBondContact O-CG1 3.35Å; V745-I749 PolarHBondContact O-N 3.31Å
746	I	92	Very high	87	Confident	83 Å²	83	45.3 Å²	45.3	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-44.2	174.9	-66.8	164.9	0	0	0	110.8	T742 Y743 D744 V748 I749 L750	T742-I746 HydrophobicContact CG2-CD1 4.49Å; T742-I746 WeakPolarHBondContact O-CG1 3.26Å; T742-I746 PolarHBondContact O-N 3.13Å; T742-I746 VanDerWaalsContact O-N 3.16Å; Y743-I746 WeakPolarHBondContact O-CB 3.47Å; Y743-I746 PolarHBondContact O-N 3.38Å; D744-I746 PolarHBondContact O-N 2.82Å; I746-V748 PolarHBondContact O-N 2.68Å; I746-I749 PolarHBondContact O-N 3.07Å; I746-L750 HydrophobicContact CG2-CD1 4.04Å; I746-L750 WeakPolarHBondContact O-CB 3.37Å; I746-L750 VanDerWaalsContact O-CG 3.31Å; I746-L750 WeakPolarHBondContact O-CG 3.26Å; I746-L750 PolarHBondContact O-N 2.92Å
747	L	91.8	Very high	87.3	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-42.3	175	-73.2	-179.5	0	0	0	112.1	A653 L660 L695 Y743 D744 L750 C751	A653-L747 HydrophobicContact CB-CD1 4.16Å; L660-L747 HydrophobicContact CD2-CD2 3.88Å; L695-L747 HydrophobicContact CD2-CD2 4.49Å; Y743-L747 HydrophobicContact CD1-CD1 3.95Å; Y743-L747 HydrophobicContact CD1-CG 4.23Å; Y743-L747 HydrophobicContact CE1-CD1 3.54Å; Y743-L747 HydrophobicContact CE1-CD2 4.26Å; Y743-L747 HydrophobicContact CE1-CG 3.85Å; Y743-L747 PolarHBondContact O-N 3.14Å; D744-L747 PolarHBondContact O-N 3.17Å; L747-L750 PolarHBondContact O-N 3.18Å; L747-C751 WeakPolarHBondContact O-CB 3.45Å; L747-C751 PolarHBondContact O-N 3.21Å; L747-C751 PolarHBondContact O-SG 3.25Å
748	V	91.6	Very high	87.5	Confident	17 Å²	17	48 Å²	48	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-45.2	176.6	166.8	0	0	0	0	111.3	Y656 D744 V745 I746 L750 C751 T752 M775	Y656-V748 HydrophobicContact CD1-CG2 3.94Å; Y656-V748 HydrophobicContact CD2-CG2 3.6Å; Y656-V748 HydrophobicContact CE1-CG2 3.86Å; Y656-V748 HydrophobicContact CE2-CG2 3.47Å; Y656-V748 VanDerWaalsContact CE2-CG2 3.47Å; Y656-V748 HydrophobicContact CG-CG2 3.85Å; D744-V748 WeakPolarHBondContact O-CB 3.27Å; D744-V748 WeakPolarHBondContact O-CG2 3.46Å; D744-V748 PolarHBondContact O-N 2.73Å; V745-V748 PolarHBondContact O-N 2.93Å; I746-V748 PolarHBondContact O-N 2.68Å; V748-L750 PolarHBondContact O-N 3.1Å; V748-C751 WeakPolarHBondContact O-CB 3.48Å; V748-C751 PolarHBondContact O-N 3.49Å; V748-T752 WeakPolarHBondContact O-CB 3.22Å; V748-T752 PolarHBondContact O-N 3.27Å; V748-T752 PolarHBondContact O-OG1 2.95Å; V748-M775 HydrophobicContact CB-CE 4.4Å; V748-M775 HydrophobicContact CG1-CE 3.96Å; V748-M775 HydrophobicContact CG2-CE 4.46Å
749	I	91.3	Very high	87.5	Confident	100 Å²	100	54 Å²	54	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-47.6	176.5	-70.3	165.5	0	0	0	110.4	V745 I746 T752 V753	V745-I749 HydrophobicContact CG1-CD1 3.87Å; V745-I749 VanDerWaalsContact O-CG1 3.29Å; V745-I749 WeakPolarHBondContact O-CG1 3.35Å; V745-I749 PolarHBondContact O-N 3.31Å; I746-I749 PolarHBondContact O-N 3.07Å; I749-T752 PolarHBondContact O-N 3.01Å; I749-V753 WeakPolarHBondContact O-CG2 3.37Å; I749-V753 PolarHBondContact O-N 3.47Å
750	L	91.4	Very high	87	Confident	71 Å²	71	57.5 Å²	57.5	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.4	-69.3	171.9	0	0	0	111.5	L660 I746 L747 V748 T752 V753 Y754	L660-L750 HydrophobicContact CD1-CB 3.95Å; L660-L750 HydrophobicContact CD2-CB 4.05Å; L660-L750 HydrophobicContact CD2-CD1 4.26Å; I746-L750 HydrophobicContact CG2-CD1 4.04Å; I746-L750 WeakPolarHBondContact O-CB 3.37Å; I746-L750 VanDerWaalsContact O-CG 3.31Å; I746-L750 WeakPolarHBondContact O-CG 3.26Å; I746-L750 PolarHBondContact O-N 2.92Å; L747-L750 PolarHBondContact O-N 3.18Å; V748-L750 PolarHBondContact O-N 3.1Å; L750-T752 VanDerWaalsContact C-N 3.29Å; L750-T752 PolarHBondContact O-N 3.27Å; L750-V753 PolarHBondContact O-N 3.32Å; L750-Y754 WeakPolarHBondContact O-CD2 3.19Å; L750-Y754 PolarHBondContact O-N 3.32Å
751	C	90.6	Very high	86.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-41.8	175.2	-74	0	0	0	0	112.1	Y656 L747 V748 A755 M775	Y656-C751 PolarHBondContact O-SG 3.19Å; Y656-C751 VanDerWaalsContact O-SG 3.36Å; L747-C751 WeakPolarHBondContact O-CB 3.45Å; L747-C751 PolarHBondContact O-N 3.21Å; L747-C751 PolarHBondContact O-SG 3.25Å; V748-C751 WeakPolarHBondContact O-CB 3.48Å; V748-C751 PolarHBondContact O-N 3.49Å; C751-A755 WeakPolarHBondContact O-CA 3.47Å; C751-A755 PolarHBondContact O-N 2.88Å; C751-M775 HydrophobicContact CB-CE 3.4Å; C751-M775 HydrophobicContact CB-CG 4.21Å; C751-M775 HydrophobicContact CB-SD 3.61Å
752	T	90	Very high	85.2	Confident	32 Å²	32	61.2 Å²	61.2	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-71	-36.1	179.1	-66.1	0	0	0	0	112.1	V748 I749 L750 A755 F756 Y776 C779	V748-T752 WeakPolarHBondContact O-CB 3.22Å; V748-T752 PolarHBondContact O-N 3.27Å; V748-T752 PolarHBondContact O-OG1 2.95Å; I749-T752 PolarHBondContact O-N 3.01Å; L750-T752 VanDerWaalsContact C-N 3.29Å; L750-T752 PolarHBondContact O-N 3.27Å; T752-A755 WeakPolarHBondContact O-CA 3.46Å; T752-A755 PolarHBondContact O-N 3.34Å; T752-F756 WeakPolarHBondContact O-CB 3.42Å; T752-F756 PolarHBondContact O-N 2.87Å; T752-Y776 HydrophobicContact CG2-CD1 4.4Å; T752-Y776 HydrophobicContact CG2-CE1 4.24Å; T752-C779 PolarHBondContact OG1-SG 2.92Å; T752-C779 VanDerWaalsContact OG1-SG 3.4Å
753	V	89.6	Confident	83.6	Confident	87 Å²	87	65.8 Å²	65.8	53%	0.527	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-45.7	173.8	170.7	0	0	0	0	111.7	I749 L750 F756 K757	I749-V753 WeakPolarHBondContact O-CG2 3.37Å; I749-V753 PolarHBondContact O-N 3.47Å; L750-V753 PolarHBondContact O-N 3.32Å; V753-F756 PolarHBondContact O-N 3.31Å; V753-K757 WeakPolarHBondContact O-CB 3.46Å; V753-K757 PolarHBondContact O-N 3.16Å
754	Y	86.4	Confident	81.9	Confident	71 Å²	71	71.8 Å²	71.8	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-35.1	173.6	-78.9	-81.4	0	0	0	112.1	L660 N664 A667 L750 K757 T758	L660-Y754 HydrophobicContact CD1-CD2 3.61Å; L660-Y754 HydrophobicContact CD1-CE2 4.15Å; L660-Y754 HydrophobicContact CD1-CG 4.37Å; N664-Y754 HydrophobicContact CB-CD1 4.39Å; N664-Y754 HydrophobicContact CB-CE1 4.37Å; A667-Y754 HydrophobicContact CB-CD1 3.89Å; A667-Y754 HydrophobicContact CB-CE1 4.32Å; L750-Y754 WeakPolarHBondContact O-CD2 3.19Å; L750-Y754 PolarHBondContact O-N 3.32Å; Y754-K757 PolarHBondContact O-N 2.99Å; Y754-T758 WeakPolarHBondContact O-CG2 3.41Å; Y754-T758 PolarHBondContact O-N 3.44Å; Y754-T758 PolarHBondContact O-OG1 3.48Å
755	A	86.7	Confident	80.4	Confident	2 Å²	2	77.7 Å²	77.7	2%	0.017	38%	0.382	C	S	.	.	H	α-helix	trans	-43.9	-62.2	163.4	0	0	0	0	0	112	T663 C751 T752 K757 T758 R759 I771	T663-A755 HydrophobicContact CG2-CB 3.8Å; C751-A755 WeakPolarHBondContact O-CA 3.47Å; C751-A755 PolarHBondContact O-N 2.88Å; T752-A755 WeakPolarHBondContact O-CA 3.46Å; T752-A755 PolarHBondContact O-N 3.34Å; A755-K757 PolarHBondContact O-N 3.38Å; A755-T758 WeakPolarHBondContact CB-OG1 3.47Å; A755-T758 PolarHBondContact O-N 2.84Å; A755-T758 PolarHBondContact O-OG1 3.44Å; A755-R759 PolarHBondContact O-N 3.32Å; A755-I771 HydrophobicContact CB-CG2 4.29Å
756	F	85.8	Confident	79.3	Confident	112 Å²	112	78.6 Å²	78.6	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-37.9	-179.1	-174.6	-92.2	0	0	0	112.9	T752 V753 T758 R759	T752-F756 WeakPolarHBondContact O-CB 3.42Å; T752-F756 PolarHBondContact O-N 2.87Å; V753-F756 PolarHBondContact O-N 3.31Å; F756-T758 VanDerWaalsContact C-N 3.34Å; F756-T758 PolarHBondContact O-N 3.25Å; F756-R759 VanDerWaalsContact CE2-NE 3.34Å; F756-R759 VanDerWaalsContact O-CD 3.31Å; F756-R759 WeakPolarHBondContact O-CD 3.3Å; F756-R759 WeakPolarHBondContact O-CG 3.49Å; F756-R759 PolarHBondContact O-N 3.09Å
757	K	83.7	Confident	78.6	Confident	102 Å²	102	76.4 Å²	76.4	44%	0.443	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-39	176.5	-174.9	175.5	174.9	-178	0	112.1	D671 V753 Y754 A755	D671-K757 WeakPolarHBondContact OD1-CE 3.27Å; D671-K757 IonicContact OD1-NZ 2.75Å; D671-K757 WeakPolarHBondContact OD2-CE 3.41Å; D671-K757 IonicContact OD2-NZ 3.5Å; D671-K757 PolarHBondContact OD2-NZ 3.44Å; V753-K757 WeakPolarHBondContact O-CB 3.46Å; V753-K757 PolarHBondContact O-N 3.16Å; Y754-K757 PolarHBondContact O-N 2.99Å; A755-K757 PolarHBondContact O-N 3.38Å
758	T	78.8	Confident	78.1	Confident	3 Å²	3	76.8 Å²	76.8	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-82.8	-5.9	-179	54.6	0	0	0	0	114.4	I666 A667 Y754 A755 F756 K760 C761	I666-T758 HydrophobicContact CB-CG2 4.16Å; I666-T758 HydrophobicContact CG2-CG2 3.79Å; A667-T758 HydrophobicContact CB-CG2 3.72Å; Y754-T758 WeakPolarHBondContact O-CG2 3.41Å; Y754-T758 PolarHBondContact O-N 3.44Å; Y754-T758 PolarHBondContact O-OG1 3.48Å; A755-T758 WeakPolarHBondContact CB-OG1 3.47Å; A755-T758 PolarHBondContact O-N 2.84Å; A755-T758 PolarHBondContact O-OG1 3.44Å; F756-T758 VanDerWaalsContact C-N 3.34Å; F756-T758 PolarHBondContact O-N 3.25Å; T758-K760 PolarHBondContact O-N 3.34Å; T758-C761 WeakPolarHBondContact O-CB 3.17Å; T758-C761 PolarHBondContact O-N 3.12Å; T758-C761 PolarHBondContact O-SG 3.46Å
759	R	79	Confident	77.6	Confident	149 Å²	149	83.6 Å²	83.6	56%	0.562	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.3	178.3	87.3	-168.4	171.2	118.7	-4.5	115.5	A755 F756	A755-R759 PolarHBondContact O-N 3.32Å; F756-R759 VanDerWaalsContact CE2-NE 3.34Å; F756-R759 VanDerWaalsContact O-CD 3.31Å; F756-R759 WeakPolarHBondContact O-CD 3.3Å; F756-R759 WeakPolarHBondContact O-CG 3.49Å; F756-R759 PolarHBondContact O-N 3.09Å
760	K	71	Confident	77.4	Confident	163 Å²	163	82.4 Å²	82.4	71%	0.709	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	9.1	177.6	-65.9	-167.6	176.3	-171.5	0	114	T758	T758-K760 PolarHBondContact O-N 3.34Å
761	C	67.6	Low	77.3	Confident	28 Å²	28	79.1 Å²	79.1	19%	0.189	38%	0.377	C	S	.	.	S	Bend	trans	-65.8	143.4	171.1	-67.2	0	0	0	0	110.9	T758	T758-C761 WeakPolarHBondContact O-CB 3.17Å; T758-C761 PolarHBondContact O-N 3.12Å; T758-C761 PolarHBondContact O-SG 3.46Å
762	P	62.1	Low	77.1	Confident	76 Å²	76	79.4 Å²	79.4	49%	0.494	38%	0.38	S	S	.	.			trans	-66.3	152.2	-177.6	27.3	-35.5	0	0	0	112.4	N764 F765	P762-N764 PolarHBondContact O-N 3.32Å; P762-F765 PolarHBondContact O-N 3.3Å
763	E	54.6	Low	77	Confident	173 Å²	173	83.7 Å²	83.7	81%	0.808	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-56.2	-22.5	-167	-58.8	-172.3	122.2	0	0	115.4	F765 N766	E763-F765 PolarHBondContact O-N 3.24Å; E763-N766 PolarHBondContact O-N 3.49Å; E763-N766 PolarHBondContact O-ND2 3.17Å
764	N	54.6	Low	77.1	Confident	153 Å²	153	79.5 Å²	79.5	82%	0.818	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-58.6	-13	171.2	-65.2	-38.6	0	0	0	113.8	P762	P762-N764 PolarHBondContact O-N 3.32Å
765	F	59.4	Low	77.3	Confident	131 Å²	131	76.1 Å²	76.1	58%	0.575	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-116	58.2	174.3	-86.1	-86.3	0	0	0	113	P762 E763 E767 A768	P762-F765 PolarHBondContact O-N 3.3Å; E763-F765 PolarHBondContact O-N 3.24Å; F765-E767 PolarHBondContact O-N 3.36Å; F765-A768 PolarHBondContact O-N 3.36Å; F765-A768 VanDerWaalsContact O-N 3.16Å
766	N	67.3	Low	77.5	Confident	97 Å²	97	80.4 Å²	80.4	52%	0.519	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-24.1	174.8	-80.6	-57.3	0	0	0	115.3	E763 A768 K769 F770	E763-N766 PolarHBondContact O-N 3.49Å; E763-N766 PolarHBondContact O-ND2 3.17Å; N766-A768 VanDerWaalsContact C-N 3.26Å; N766-A768 PolarHBondContact O-N 3.49Å; N766-K769 WeakPolarHBondContact O-CB 3.43Å; N766-K769 PolarHBondContact O-N 3.36Å; N766-K769 VanDerWaalsContact O-N 3.14Å; N766-F770 HydrophobicContact CB-CE2 4.29Å; N766-F770 VanDerWaalsContact O-CD2 3.24Å; N766-F770 WeakPolarHBondContact O-CD2 3.29Å; N766-F770 PolarHBondContact O-N 3.4Å
767	E	77.6	Confident	77.7	Confident	37 Å²	37	76.8 Å²	76.8	17%	0.173	36%	0.361	C	S	.	.	H	α-helix	trans	-56.9	-33.5	177.8	-179.6	156.1	-161.3	0	0	113.6	S610 K662 F765 K769 F770 I771 K822	S610-E767 VanDerWaalsContact OG-CD 3.29Å; S610-E767 PolarHBondContact OG-OE1 3.37Å; S610-E767 PolarHBondContact OG-OE2 2.97Å; K662-E767 WeakPolarHBondContact CE-OE1 3.31Å; K662-E767 IonicContact NZ-OE1 3.74Å; K662-E767 PolarHBondContact NZ-OE1 3.18Å; F765-E767 PolarHBondContact O-N 3.36Å; E767-K769 VanDerWaalsContact C-N 3.34Å; E767-K769 PolarHBondContact O-N 3.47Å; E767-F770 PolarHBondContact O-N 3.46Å; E767-I771 HydrophobicContact CG-CD1 4.06Å; E767-I771 WeakPolarHBondContact O-CG1 3.33Å; E767-I771 PolarHBondContact O-N 3.25Å; E767-I771 VanDerWaalsContact O-N 3.16Å; E767-K822 VanDerWaalsContact CD-NZ 3.34Å; E767-K822 IonicContact OE1-NZ 2.62Å; E767-K822 PolarHBondContact OE1-NZ 3.04Å; E767-K822 IonicContact OE2-NZ 3.63Å
768	A	80.1	Confident	78	Confident	9 Å²	9	72 Å²	72	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-35.7	177.7	0	0	0	0	0	112.8	F765 N766 I771 G772	F765-A768 PolarHBondContact O-N 3.36Å; F765-A768 VanDerWaalsContact O-N 3.16Å; N766-A768 VanDerWaalsContact C-N 3.26Å; N766-A768 PolarHBondContact O-N 3.49Å; A768-I771 PolarHBondContact O-N 2.85Å; A768-G772 PolarHBondContact O-N 3.05Å
769	K	83.1	Confident	78.6	Confident	159 Å²	159	73.4 Å²	73.4	69%	0.691	35%	0.35	S	S	*	.	H	α-helix	trans	-64.7	-43	177.7	-174.2	179.1	178.6	177.6	0	111.4	N766 E767 G772 F773	N766-K769 WeakPolarHBondContact O-CB 3.43Å; N766-K769 PolarHBondContact O-N 3.36Å; N766-K769 VanDerWaalsContact O-N 3.14Å; E767-K769 VanDerWaalsContact C-N 3.34Å; E767-K769 PolarHBondContact O-N 3.47Å; K769-G772 PolarHBondContact O-N 2.7Å; K769-F773 PolarHBondContact O-N 2.99Å
770	F	87.1	Confident	79.2	Confident	76 Å²	76	71.9 Å²	71.9	33%	0.333	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-40	177.5	-69.8	-64.1	0	0	0	112.5	N766 E767 F773 T774 C817 P821	N766-F770 HydrophobicContact CB-CE2 4.29Å; N766-F770 VanDerWaalsContact O-CD2 3.24Å; N766-F770 WeakPolarHBondContact O-CD2 3.29Å; N766-F770 PolarHBondContact O-N 3.4Å; E767-F770 PolarHBondContact O-N 3.46Å; F770-F773 PolarHBondContact O-N 3.26Å; F770-T774 WeakPolarHBondContact O-CB 3.23Å; F770-T774 PolarHBondContact O-N 2.65Å; F770-T774 PolarHBondContact O-OG1 3.4Å; F770-C817 WeakPolarHBondContact CB-O 3.45Å; F770-C817 WeakPolarHBondContact CD1-O 3.44Å; F770-P821 HydrophobicContact CD1-CG 3.92Å; F770-P821 HydrophobicContact CE1-CB 4.16Å; F770-P821 HydrophobicContact CE1-CG 3.67Å; F770-P821 HydrophobicContact CE2-CB 4.25Å; F770-P821 HydrophobicContact CG-CG 4.47Å; F770-P821 HydrophobicContact CZ-CB 3.96Å; F770-P821 HydrophobicContact CZ-CG 4Å
771	I	87.4	Confident	80.2	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-42.7	174.3	-58.5	161	0	0	0	110.9	L659 K662 T663 I666 A755 E767 A768 F773 T774 M775 L818	L659-I771 HydrophobicContact CD2-CG2 4.4Å; K662-I771 HydrophobicContact CG-CD1 4.47Å; T663-I771 HydrophobicContact CG2-CB 4.37Å; T663-I771 HydrophobicContact CG2-CD1 4.28Å; T663-I771 HydrophobicContact CG2-CG2 3.41Å; T663-I771 VanDerWaalsContact CG2-CG2 3.41Å; I666-I771 HydrophobicContact CD1-CD1 3.91Å; A755-I771 HydrophobicContact CB-CG2 4.29Å; E767-I771 HydrophobicContact CG-CD1 4.06Å; E767-I771 WeakPolarHBondContact O-CG1 3.33Å; E767-I771 PolarHBondContact O-N 3.25Å; E767-I771 VanDerWaalsContact O-N 3.16Å; A768-I771 PolarHBondContact O-N 2.85Å; I771-F773 PolarHBondContact O-N 2.68Å; I771-T774 WeakPolarHBondContact O-CB 3.49Å; I771-T774 PolarHBondContact O-N 2.77Å; I771-M775 HydrophobicContact CG2-CG 4.49Å; I771-M775 WeakPolarHBondContact O-CG 3.45Å; I771-M775 PolarHBondContact O-N 3.4Å; I771-L818 HydrophobicContact CB-CD1 4.42Å; I771-L818 HydrophobicContact CD1-CD1 4.49Å; I771-L818 HydrophobicContact CG1-CD1 3.42Å; I771-L818 VanDerWaalsContact CG1-CD1 3.42Å
772	G	86.9	Confident	81.2	Confident	6 Å²	6	65.6 Å²	65.6	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-56.4	-49.3	174.9	0	0	0	0	0	112.5	A768 K769 T774 M775 Y776	A768-G772 PolarHBondContact O-N 3.05Å; K769-G772 PolarHBondContact O-N 2.7Å; G772-T774 PolarHBondContact O-N 2.88Å; G772-M775 PolarHBondContact O-N 3.12Å; G772-Y776 WeakPolarHBondContact O-CD2 3.46Å; G772-Y776 PolarHBondContact O-N 3.34Å
773	F	89	Confident	82.4	Confident	122 Å²	122	68 Å²	68	54%	0.535	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-45.3	176.2	-172.1	-112.6	0	0	0	112.2	K769 F770 I771 M775 Y776 T777 C817	K769-F773 PolarHBondContact O-N 2.99Å; F770-F773 PolarHBondContact O-N 3.26Å; I771-F773 PolarHBondContact O-N 2.68Å; F773-M775 VanDerWaalsContact C-N 3.29Å; F773-M775 PolarHBondContact O-N 3.22Å; F773-Y776 PolarHBondContact O-N 2.62Å; F773-T777 PolarHBondContact O-N 2.73Å; F773-T777 PolarHBondContact O-OG1 2.87Å; F773-C817 HydrophobicContact CD1-CB 3.97Å; F773-C817 WeakPolarHBondContact CD1-SG 3.46Å; F773-C817 VanDerWaalsContact CE1-SG 3.55Å
774	T	90.8	Very high	84.1	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-53	-46.6	174.9	-51.4	0	0	0	0	111.2	F770 I771 G772 T778 V813 V814 C817	F770-T774 WeakPolarHBondContact O-CB 3.23Å; F770-T774 PolarHBondContact O-N 2.65Å; F770-T774 PolarHBondContact O-OG1 3.4Å; I771-T774 WeakPolarHBondContact O-CB 3.49Å; I771-T774 PolarHBondContact O-N 2.77Å; G772-T774 PolarHBondContact O-N 2.88Å; T774-T778 VanDerWaalsContact O-CB 3.31Å; T774-T778 WeakPolarHBondContact O-CB 3.38Å; T774-T778 PolarHBondContact O-N 2.88Å; T774-T778 VanDerWaalsContact O-N 3.1Å; T774-T778 PolarHBondContact O-OG1 3.33Å; T774-V813 HydrophobicContact CG2-CG1 4.08Å; T774-V814 HydrophobicContact CG2-CG2 4.08Å; T774-C817 HydrophobicContact CG2-CB 4.48Å; T774-C817 VanDerWaalsContact OG1-CB 3.23Å; T774-C817 WeakPolarHBondContact OG1-CB 3.5Å
775	M	90.2	Very high	85.8	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.8	-42.7	-180	-69.6	-50.4	-47.8	0	0	113.1	Y656 L659 V748 C751 I771 G772 F773 T778 C779	Y656-M775 HydrophobicContact CD1-CE 4.47Å; L659-M775 HydrophobicContact CD1-SD 4.21Å; V748-M775 HydrophobicContact CB-CE 4.4Å; V748-M775 HydrophobicContact CG1-CE 3.96Å; V748-M775 HydrophobicContact CG2-CE 4.46Å; C751-M775 HydrophobicContact CB-CE 3.4Å; C751-M775 HydrophobicContact CB-CG 4.21Å; C751-M775 HydrophobicContact CB-SD 3.61Å; I771-M775 HydrophobicContact CG2-CG 4.49Å; I771-M775 WeakPolarHBondContact O-CG 3.45Å; I771-M775 PolarHBondContact O-N 3.4Å; G772-M775 PolarHBondContact O-N 3.12Å; F773-M775 VanDerWaalsContact C-N 3.29Å; F773-M775 PolarHBondContact O-N 3.22Å; M775-T778 WeakPolarHBondContact O-CB 3.35Å; M775-T778 PolarHBondContact O-N 2.85Å; M775-C779 PolarHBondContact O-N 3.27Å; M775-C779 PolarHBondContact O-SG 3.36Å; M775-C779 VanDerWaalsContact O-SG 3.34Å
776	Y	90.6	Very high	87	Confident	92 Å²	92	52.4 Å²	52.4	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-44.4	-179.9	-57.4	-36.6	0	0	0	112.1	T752 G772 F773 T778 C779 I780	T752-Y776 HydrophobicContact CG2-CD1 4.4Å; T752-Y776 HydrophobicContact CG2-CE1 4.24Å; G772-Y776 WeakPolarHBondContact O-CD2 3.46Å; G772-Y776 PolarHBondContact O-N 3.34Å; F773-Y776 PolarHBondContact O-N 2.62Å; Y776-T778 VanDerWaalsContact C-N 3.33Å; Y776-T778 PolarHBondContact O-N 3.48Å; Y776-C779 PolarHBondContact O-N 2.89Å; Y776-I780 WeakPolarHBondContact O-CG1 3.23Å; Y776-I780 PolarHBondContact O-N 2.84Å; Y776-I780 VanDerWaalsContact O-N 3.16Å
777	T	91.4	Very high	88	Confident	36 Å²	36	51.2 Å²	51.2	22%	0.221	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-38.8	175.6	-54	0	0	0	0	111.5	F773 I780 I781 V813	F773-T777 PolarHBondContact O-N 2.73Å; F773-T777 PolarHBondContact O-OG1 2.87Å; T777-I780 PolarHBondContact O-N 3.44Å; T777-I781 HydrophobicContact CG2-CD1 4.23Å; T777-I781 WeakPolarHBondContact O-CG1 3.41Å; T777-I781 PolarHBondContact O-N 3.48Å; T777-I781 VanDerWaalsContact O-N 3.13Å; T777-V813 HydrophobicContact CG2-CG1 4.12Å; T777-V813 HydrophobicContact CG2-CG2 3.7Å
778	T	90.2	Very high	88.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-48.3	172.7	-64.3	0	0	0	0	111.6	Y656 T774 M775 Y776 I780 I781 W782	Y656-T778 HydrophobicContact CE1-CG2 3.93Å; Y656-T778 WeakPolarHBondContact OH-CG2 3.47Å; T774-T778 VanDerWaalsContact O-CB 3.31Å; T774-T778 WeakPolarHBondContact O-CB 3.38Å; T774-T778 PolarHBondContact O-N 2.88Å; T774-T778 VanDerWaalsContact O-N 3.1Å; T774-T778 PolarHBondContact O-OG1 3.33Å; M775-T778 WeakPolarHBondContact O-CB 3.35Å; M775-T778 PolarHBondContact O-N 2.85Å; Y776-T778 VanDerWaalsContact C-N 3.33Å; Y776-T778 PolarHBondContact O-N 3.48Å; T778-I780 VanDerWaalsContact C-N 3.28Å; T778-I780 PolarHBondContact O-N 3.17Å; T778-I781 PolarHBondContact O-N 3.16Å; T778-W782 VanDerWaalsContact O-CD1 3.32Å; T778-W782 PolarHBondContact O-N 3.16Å; T778-W782 VanDerWaalsContact O-N 3.08Å
779	C	90.5	Very high	88.9	Confident	33 Å²	33	53 Å²	53	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-38.9	178.5	-70.5	0	0	0	0	112.5	T752 M775 Y776 W782 L783	T752-C779 PolarHBondContact OG1-SG 2.92Å; T752-C779 VanDerWaalsContact OG1-SG 3.4Å; M775-C779 PolarHBondContact O-N 3.27Å; M775-C779 PolarHBondContact O-SG 3.36Å; M775-C779 VanDerWaalsContact O-SG 3.34Å; Y776-C779 PolarHBondContact O-N 2.89Å; C779-W782 PolarHBondContact O-N 3.4Å; C779-L783 WeakPolarHBondContact O-CB 3.36Å; C779-L783 VanDerWaalsContact O-CG 3.23Å; C779-L783 WeakPolarHBondContact O-CG 3.35Å; C779-L783 PolarHBondContact O-N 3.49Å
780	I	92.2	Very high	89	Confident	118 Å²	118	52 Å²	52	61%	0.605	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-45.6	176.8	-66.9	164.4	0	0	0	111.2	Y776 T777 T778 W782 L783 A784	Y776-I780 WeakPolarHBondContact O-CG1 3.23Å; Y776-I780 PolarHBondContact O-N 2.84Å; Y776-I780 VanDerWaalsContact O-N 3.16Å; T777-I780 PolarHBondContact O-N 3.44Å; T778-I780 VanDerWaalsContact C-N 3.28Å; T778-I780 PolarHBondContact O-N 3.17Å; I780-W782 PolarHBondContact O-N 2.88Å; I780-L783 PolarHBondContact O-N 3.28Å; I780-A784 WeakPolarHBondContact O-CB 3.49Å; I780-A784 PolarHBondContact O-N 3.17Å
781	I	91.2	Very high	89	Confident	20 Å²	20	54 Å²	54	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-44.8	178.8	-68	161.1	0	0	0	111.2	T777 T778 A784 F785 L809 V813	T777-I781 HydrophobicContact CG2-CD1 4.23Å; T777-I781 WeakPolarHBondContact O-CG1 3.41Å; T777-I781 PolarHBondContact O-N 3.48Å; T777-I781 VanDerWaalsContact O-N 3.13Å; T778-I781 PolarHBondContact O-N 3.16Å; I781-A784 PolarHBondContact O-N 3.49Å; I781-F785 WeakPolarHBondContact O-CB 3.36Å; I781-F785 PolarHBondContact O-N 3.44Å; I781-L809 HydrophobicContact CD1-CD2 3.84Å; I781-L809 HydrophobicContact CD1-CG 3.81Å; I781-L809 HydrophobicContact CG1-CD2 3.91Å; I781-L809 HydrophobicContact CG1-CG 4.44Å; I781-L809 HydrophobicContact CG2-CD2 4.31Å; I781-V813 HydrophobicContact CD1-CG2 3.58Å
782	W	88.3	Confident	88.9	Confident	38 Å²	38	54.9 Å²	54.9	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-73.1	-34.3	-178.3	-78.6	96	0	0	0	113.6	F652 L741 T778 C779 I780 A784 F785 L786 S810	F652-W782 HydrophobicContact CD1-CZ2 4.33Å; F652-W782 HydrophobicContact CD2-CH2 4.35Å; F652-W782 HydrophobicContact CD2-CZ2 4.16Å; F652-W782 AromaticContact CE1-CZ2 3.86Å; F652-W782 HydrophobicContact CE1-CZ2 3.86Å; F652-W782 AromaticContact CE2-CH2 3.81Å; F652-W782 HydrophobicContact CE2-CH2 3.81Å; F652-W782 AromaticContact CE2-CZ2 3.65Å; F652-W782 HydrophobicContact CE2-CZ2 3.65Å; F652-W782 HydrophobicContact CG-CZ2 4.49Å; F652-W782 HydrophobicContact CZ-CH2 4.09Å; F652-W782 AromaticContact CZ-CZ2 3.51Å; F652-W782 HydrophobicContact CZ-CZ2 3.51Å; L741-W782 HydrophobicContact CD1-CH2 4.19Å; L741-W782 HydrophobicContact CD1-CZ3 3.83Å; T778-W782 VanDerWaalsContact O-CD1 3.32Å; T778-W782 PolarHBondContact O-N 3.16Å; T778-W782 VanDerWaalsContact O-N 3.08Å; C779-W782 PolarHBondContact O-N 3.4Å; I780-W782 PolarHBondContact O-N 2.88Å; W782-A784 VanDerWaalsContact C-N 3.32Å; W782-F785 AromaticContact CE3-CD1 3.74Å; W782-F785 HydrophobicContact CE3-CD1 3.74Å; W782-F785 HydrophobicContact CE3-CE1 4.41Å; W782-F785 HydrophobicContact CE3-CG 4.48Å; W782-F785 AromaticContact CZ3-CD1 3.57Å; W782-F785 HydrophobicContact CZ3-CD1 3.57Å; W782-F785 AromaticContact CZ3-CE1 3.81Å; W782-F785 HydrophobicContact CZ3-CE1 3.81Å; W782-F785 HydrophobicContact CZ3-CG 4.45Å; W782-F785 PolarHBondContact O-N 3.47Å; W782-L786 PolarHBondContact O-N 2.92Å; W782-S810 PolarHBondContact NE1-OG 2.88Å
783	L	88.8	Confident	88.6	Confident	128 Å²	128	57.2 Å²	57.2	67%	0.67	30%	0.301	S	S	*	.	H	α-helix	trans	-66	-34.1	171.4	-72.4	169.9	0	0	0	112.2	C779 I780 P787	C779-L783 WeakPolarHBondContact O-CB 3.36Å; C779-L783 VanDerWaalsContact O-CG 3.23Å; C779-L783 WeakPolarHBondContact O-CG 3.35Å; C779-L783 PolarHBondContact O-N 3.49Å; I780-L783 PolarHBondContact O-N 3.28Å; L783-P787 WeakPolarHBondContact O-CD 2.91Å
784	A	90.2	Very high	88	Confident	47 Å²	47	57 Å²	57	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-76.4	-35.1	174.8	0	0	0	0	0	113.1	I780 I781 W782 P787 I788	I780-A784 WeakPolarHBondContact O-CB 3.49Å; I780-A784 PolarHBondContact O-N 3.17Å; I781-A784 PolarHBondContact O-N 3.49Å; W782-A784 VanDerWaalsContact C-N 3.32Å; A784-P787 WeakPolarHBondContact O-CD 3.35Å; A784-P787 WeakPolarHBondContact O-CG 3.23Å; A784-I788 VanDerWaalsContact O-CD1 3.31Å; A784-I788 WeakPolarHBondContact O-CD1 3.28Å; A784-I788 VanDerWaalsContact O-CG1 3.29Å; A784-I788 WeakPolarHBondContact O-CG1 3.18Å
785	F	89.2	Confident	87.7	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-45.7	-179.3	168.4	-108.4	0	0	0	113	L738 I781 W782 I788 F789 T802 M803 S806	L738-F785 HydrophobicContact CD2-CE1 4.32Å; I781-F785 WeakPolarHBondContact O-CB 3.36Å; I781-F785 PolarHBondContact O-N 3.44Å; W782-F785 AromaticContact CE3-CD1 3.74Å; W782-F785 HydrophobicContact CE3-CD1 3.74Å; W782-F785 HydrophobicContact CE3-CE1 4.41Å; W782-F785 HydrophobicContact CE3-CG 4.48Å; W782-F785 AromaticContact CZ3-CD1 3.57Å; W782-F785 HydrophobicContact CZ3-CD1 3.57Å; W782-F785 AromaticContact CZ3-CE1 3.81Å; W782-F785 HydrophobicContact CZ3-CE1 3.81Å; W782-F785 HydrophobicContact CZ3-CG 4.45Å; W782-F785 PolarHBondContact O-N 3.47Å; F785-I788 PolarHBondContact O-N 3.47Å; F785-F789 HydrophobicContact CD2-CB 4.43Å; F785-F789 HydrophobicContact CE1-CB 4.29Å; F785-F789 HydrophobicContact CE1-CG 4.47Å; F785-F789 HydrophobicContact CE2-CB 3.9Å; F785-F789 AromaticContact CE2-CD2 3.91Å; F785-F789 HydrophobicContact CE2-CD2 3.91Å; F785-F789 HydrophobicContact CE2-CG 4.25Å; F785-F789 HydrophobicContact CZ-CB 3.83Å; F785-F789 AromaticContact CZ-CD2 3.59Å; F785-F789 HydrophobicContact CZ-CD2 3.59Å; F785-F789 HydrophobicContact CZ-CE2 4.47Å; F785-F789 AromaticContact CZ-CG 3.85Å; F785-F789 HydrophobicContact CZ-CG 3.85Å; F785-F789 WeakPolarHBondContact O-CB 3.33Å; F785-F789 PolarHBondContact O-N 3.01Å; F785-T802 HydrophobicContact CD2-CG2 4.43Å; F785-M803 HydrophobicContact CE2-CB 4.21Å; F785-M803 HydrophobicContact CE2-CG 4.41Å; F785-M803 HydrophobicContact CZ-CG 4.29Å; F785-S806 WeakPolarHBondContact CD2-OG 3.38Å
786	L	85.1	Confident	87.4	Confident	75 Å²	75	60.9 Å²	60.9	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-53.8	-53.6	-174.4	-70.4	171.5	0	0	0	114.3	L738 W782 I788 F789 Y790	L738-L786 HydrophobicContact CD2-CD2 4.11Å; W782-L786 PolarHBondContact O-N 2.92Å; L786-I788 PolarHBondContact O-N 3.44Å; L786-F789 PolarHBondContact O-N 3.37Å; L786-Y790 WeakPolarHBondContact O-CD2 3.12Å; L786-Y790 PolarHBondContact O-N 2.98Å
787	P	88.6	Confident	87.3	Confident	73 Å²	73	59.7 Å²	59.7	47%	0.474	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-38	178.3	24.6	-33.9	0	0	0	112.8	L783 A784 F789 Y790 V791	L783-P787 WeakPolarHBondContact O-CD 2.91Å; A784-P787 WeakPolarHBondContact O-CD 3.35Å; A784-P787 WeakPolarHBondContact O-CG 3.23Å; P787-F789 VanDerWaalsContact C-N 3.34Å; P787-F789 PolarHBondContact O-N 3.24Å; P787-Y790 PolarHBondContact O-N 3.47Å; P787-V791 WeakPolarHBondContact O-CG2 3.21Å; P787-V791 PolarHBondContact O-N 3.14Å
788	I	89.8	Confident	87.1	Confident	79 Å²	79	59.8 Å²	59.8	41%	0.405	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-40.5	179.6	-56	168.3	0	0	0	110.4	A784 F785 L786 Y790 V791 T792 T802	A784-I788 VanDerWaalsContact O-CD1 3.31Å; A784-I788 WeakPolarHBondContact O-CD1 3.28Å; A784-I788 VanDerWaalsContact O-CG1 3.29Å; A784-I788 WeakPolarHBondContact O-CG1 3.18Å; F785-I788 PolarHBondContact O-N 3.47Å; L786-I788 PolarHBondContact O-N 3.44Å; I788-Y790 VanDerWaalsContact C-N 3.34Å; I788-Y790 PolarHBondContact O-N 2.97Å; I788-V791 PolarHBondContact O-N 3.45Å; I788-T792 HydrophobicContact CG2-CG2 4.11Å; I788-T792 WeakPolarHBondContact O-CB 3.49Å; I788-T792 WeakPolarHBondContact O-CG2 3.38Å; I788-T792 PolarHBondContact O-N 3Å; I788-T792 PolarHBondContact O-OG1 3.37Å; I788-T802 HydrophobicContact CB-CG2 4.42Å; I788-T802 HydrophobicContact CG2-CG2 3.73Å
789	F	85.9	Confident	87.1	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.013	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-38.2	177.9	-177.5	-91.1	0	0	0	112.9	D734 M737 L738 F785 L786 P787 T792 Q799	D734-F789 HydrophobicContact CB-CE1 4.43Å; M737-F789 HydrophobicContact CE-CE1 4.41Å; M737-F789 HydrophobicContact CE-CE2 3.47Å; M737-F789 VanDerWaalsContact CE-CE2 3.47Å; M737-F789 HydrophobicContact CE-CZ 3.35Å; L738-F789 HydrophobicContact CD1-CD1 3.86Å; L738-F789 HydrophobicContact CD1-CE1 3.95Å; L738-F789 HydrophobicContact CD2-CD1 3.95Å; L738-F789 HydrophobicContact CD2-CE1 4.18Å; L738-F789 HydrophobicContact CD2-CG 4.49Å; L738-F789 HydrophobicContact CG-CD1 4.12Å; L738-F789 HydrophobicContact CG-CE1 4Å; F785-F789 HydrophobicContact CD2-CB 4.43Å; F785-F789 HydrophobicContact CE1-CB 4.29Å; F785-F789 HydrophobicContact CE1-CG 4.47Å; F785-F789 HydrophobicContact CE2-CB 3.9Å; F785-F789 AromaticContact CE2-CD2 3.91Å; F785-F789 HydrophobicContact CE2-CD2 3.91Å; F785-F789 HydrophobicContact CE2-CG 4.25Å; F785-F789 HydrophobicContact CZ-CB 3.83Å; F785-F789 AromaticContact CZ-CD2 3.59Å; F785-F789 HydrophobicContact CZ-CD2 3.59Å; F785-F789 HydrophobicContact CZ-CE2 4.47Å; F785-F789 AromaticContact CZ-CG 3.85Å; F785-F789 HydrophobicContact CZ-CG 3.85Å; F785-F789 WeakPolarHBondContact O-CB 3.33Å; F785-F789 PolarHBondContact O-N 3.01Å; L786-F789 PolarHBondContact O-N 3.37Å; P787-F789 VanDerWaalsContact C-N 3.34Å; P787-F789 PolarHBondContact O-N 3.24Å; F789-T792 PolarHBondContact O-OG1 2.96Å; F789-Q799 HydrophobicContact CD2-CG 3.98Å; F789-Q799 HydrophobicContact CE2-CG 3.54Å; F789-Q799 HydrophobicContact CZ-CG 4.01Å
790	Y	85.3	Confident	87	Confident	140 Å²	140	59.8 Å²	59.8	55%	0.549	33%	0.327	S	S	.	.	H	α-helix	trans	-70.9	-45.4	174.4	-83.8	-72	0	0	0	112.5	L738 L786 P787 I788 T792 S793	L738-Y790 HydrophobicContact CD1-CD2 4.38Å; L738-Y790 HydrophobicContact CD1-CE1 4.18Å; L738-Y790 HydrophobicContact CD1-CE2 3.55Å; L738-Y790 VanDerWaalsContact CD1-CZ 3.44Å; L738-Y790 WeakPolarHBondContact CD1-OH 3.47Å; L786-Y790 WeakPolarHBondContact O-CD2 3.12Å; L786-Y790 PolarHBondContact O-N 2.98Å; P787-Y790 PolarHBondContact O-N 3.47Å; I788-Y790 VanDerWaalsContact C-N 3.34Å; I788-Y790 PolarHBondContact O-N 2.97Å; Y790-T792 VanDerWaalsContact C-N 3.26Å; Y790-T792 PolarHBondContact O-N 3.34Å; Y790-S793 WeakPolarHBondContact O-CB 3.35Å; Y790-S793 PolarHBondContact O-N 3.06Å; Y790-S793 PolarHBondContact O-OG 2.94Å
791	V	87	Confident	86.9	Confident	116 Å²	116	55 Å²	55	70%	0.703	30%	0.303	S	S	*	.	H	α-helix	trans	-62.1	-33.7	179.5	170.1	0	0	0	0	112.1	P787 I788	P787-V791 WeakPolarHBondContact O-CG2 3.21Å; P787-V791 PolarHBondContact O-N 3.14Å; I788-V791 PolarHBondContact O-N 3.45Å
792	T	86.1	Confident	86.8	Confident	20 Å²	20	55.2 Å²	55.2	12%	0.123	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-85.3	-0.5	-178.9	53.3	0	0	0	0	114.6	I788 F789 Y790 S794 D795 V798	I788-T792 HydrophobicContact CG2-CG2 4.11Å; I788-T792 WeakPolarHBondContact O-CB 3.49Å; I788-T792 WeakPolarHBondContact O-CG2 3.38Å; I788-T792 PolarHBondContact O-N 3Å; I788-T792 PolarHBondContact O-OG1 3.37Å; F789-T792 PolarHBondContact O-OG1 2.96Å; Y790-T792 VanDerWaalsContact C-N 3.26Å; Y790-T792 PolarHBondContact O-N 3.34Å; T792-S794 PolarHBondContact O-N 3.4Å; T792-D795 CarbonylContact O-C 3.58Å; T792-D795 PolarHBondContact O-N 3.39Å; T792-D795 VanDerWaalsContact O-O 3.09Å; T792-V798 HydrophobicContact CG2-CB 4.45Å; T792-V798 HydrophobicContact CG2-CG1 3.57Å
793	S	80.1	Confident	86.9	Confident	56 Å²	56	53.7 Å²	53.7	39%	0.392	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-61.3	-17.1	-175.4	59.1	0	0	0	0	115.8	Y790	Y790-S793 WeakPolarHBondContact O-CB 3.35Å; Y790-S793 PolarHBondContact O-N 3.06Å; Y790-S793 PolarHBondContact O-OG 2.94Å
794	S	77.1	Confident	87	Confident	116 Å²	116	47.6 Å²	47.6	81%	0.811	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-70.6	-31.8	173	50.6	0	0	0	0	113.7	T792	T792-S794 PolarHBondContact O-N 3.4Å
795	D	84.2	Confident	87.1	Confident	60 Å²	60	48.5 Å²	48.5	32%	0.321	27%	0.266	S	S	.	.			trans	-118	108.8	177.7	-171.9	-21.2	0	0	0	111	T792 R797 V798 Q799	T792-D795 CarbonylContact O-C 3.58Å; T792-D795 PolarHBondContact O-N 3.39Å; T792-D795 VanDerWaalsContact O-O 3.09Å; D795-R797 PolarHBondContact O-N 3.02Å; D795-R797 WeakPolarHBondContact OD1-CA 3.33Å; D795-R797 VanDerWaalsContact OD1-CB 3.23Å; D795-R797 WeakPolarHBondContact OD1-CB 3.48Å; D795-R797 WeakPolarHBondContact OD1-CG 3.38Å; D795-R797 PolarHBondContact OD1-N 2.68Å; D795-V798 HydrophobicContact CB-CB 4.24Å; D795-V798 HydrophobicContact CB-CG2 3.97Å; D795-V798 PolarHBondContact O-N 3.14Å; D795-Q799 VanDerWaalsContact O-CB 3.3Å; D795-Q799 WeakPolarHBondContact O-CB 3.17Å; D795-Q799 PolarHBondContact O-N 3.2Å
796	Y	83.7	Confident	87.2	Confident	22 Å²	22	49 Å²	49	9%	0.086	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-26.4	-179.7	78.9	-83.1	0	0	0	113.7	D568 I570 I727 T800	D568-Y796 PolarHBondContact OD2-OH 3.1Å; I570-Y796 HydrophobicContact CG1-CD2 4.31Å; I570-Y796 HydrophobicContact CG1-CE2 3.82Å; I727-Y796 HydrophobicContact CD1-CD1 4.23Å; I727-Y796 HydrophobicContact CD1-CE1 4.06Å; I727-Y796 HydrophobicContact CG1-CE1 4.37Å; I727-Y796 HydrophobicContact CG2-CD1 3.83Å; I727-Y796 HydrophobicContact CG2-CE1 3.69Å; I727-Y796 HydrophobicContact CG2-CE2 4.38Å; I727-Y796 HydrophobicContact CG2-CG 4.26Å; Y796-T800 VanDerWaalsContact O-CB 3.26Å; Y796-T800 WeakPolarHBondContact O-CB 3.49Å; Y796-T800 PolarHBondContact O-N 2.95Å; Y796-T800 VanDerWaalsContact O-N 3.11Å; Y796-T800 PolarHBondContact O-OG1 3.04Å
797	R	88.3	Confident	87.5	Confident	68 Å²	68	45.6 Å²	45.6	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-71.2	-49.7	178.2	-53.9	179.1	176.6	-165.4	-2.7	109.2	D568 I570 W576 D795 T801	D568-R797 IonicContact OD1-NH2 2.62Å; D568-R797 PolarHBondContact OD1-NH2 3.47Å; D568-R797 IonicContact OD2-CZ 3.5Å; D568-R797 IonicContact OD2-NE 2.68Å; D568-R797 IonicContact OD2-NH2 3.47Å; D568-R797 PolarHBondContact OD2-NH2 3.24Å; I570-R797 HydrophobicContact CG1-CG 4.36Å; W576-R797 HydrophobicContact CD2-CB 4.36Å; W576-R797 HydrophobicContact CG-CB 4.14Å; D795-R797 PolarHBondContact O-N 3.02Å; D795-R797 WeakPolarHBondContact OD1-CA 3.33Å; D795-R797 VanDerWaalsContact OD1-CB 3.23Å; D795-R797 WeakPolarHBondContact OD1-CB 3.48Å; D795-R797 WeakPolarHBondContact OD1-CG 3.38Å; D795-R797 PolarHBondContact OD1-N 2.68Å; R797-T801 VanDerWaalsContact O-CB 3.3Å; R797-T801 WeakPolarHBondContact O-CB 3.5Å; R797-T801 PolarHBondContact O-N 2.92Å; R797-T801 PolarHBondContact O-OG1 2.87Å
798	V	88.5	Confident	87.8	Confident	37 Å²	37	42.1 Å²	42.1	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-50.5	177.1	-174	0	0	0	0	110.6	W576 T792 D795 T800 T801 T802	W576-V798 HydrophobicContact CH2-CG2 3.85Å; W576-V798 HydrophobicContact CZ2-CG2 4.44Å; W576-V798 HydrophobicContact CZ3-CG2 3.93Å; T792-V798 HydrophobicContact CG2-CB 4.45Å; T792-V798 HydrophobicContact CG2-CG1 3.57Å; D795-V798 HydrophobicContact CB-CB 4.24Å; D795-V798 HydrophobicContact CB-CG2 3.97Å; D795-V798 PolarHBondContact O-N 3.14Å; V798-T800 VanDerWaalsContact C-N 3.34Å; V798-T800 PolarHBondContact O-N 2.97Å; V798-T801 WeakPolarHBondContact O-CB 3.48Å; V798-T801 PolarHBondContact O-N 3.17Å; V798-T801 VanDerWaalsContact O-N 3.11Å; V798-T802 PolarHBondContact O-N 3.09Å; V798-T802 PolarHBondContact O-OG1 3.3Å
799	Q	88.2	Confident	87.9	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-52.9	-48	179.1	-171	-172.8	40.5	0	0	112.4	D734 F789 D795 M803	D734-Q799 PolarHBondContact OD2-NE2 3.38Å; F789-Q799 HydrophobicContact CD2-CG 3.98Å; F789-Q799 HydrophobicContact CE2-CG 3.54Å; F789-Q799 HydrophobicContact CZ-CG 4.01Å; D795-Q799 VanDerWaalsContact O-CB 3.3Å; D795-Q799 WeakPolarHBondContact O-CB 3.17Å; D795-Q799 PolarHBondContact O-N 3.2Å; Q799-M803 WeakPolarHBondContact O-CB 3.37Å; Q799-M803 PolarHBondContact O-N 2.98Å
800	T	88.6	Confident	88.2	Confident	20 Å²	20	42.2 Å²	42.2	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-40	178.7	-54.3	0	0	0	0	111.8	I570 F632 Y796 V798 M803 C804	I570-T800 HydrophobicContact CD1-CG2 3.98Å; F632-T800 HydrophobicContact CB-CG2 4.12Å; F632-T800 WeakPolarHBondContact O-CG2 3.47Å; Y796-T800 VanDerWaalsContact O-CB 3.26Å; Y796-T800 WeakPolarHBondContact O-CB 3.49Å; Y796-T800 PolarHBondContact O-N 2.95Å; Y796-T800 VanDerWaalsContact O-N 3.11Å; Y796-T800 PolarHBondContact O-OG1 3.04Å; V798-T800 VanDerWaalsContact C-N 3.34Å; V798-T800 PolarHBondContact O-N 2.97Å; T800-M803 PolarHBondContact O-N 3.38Å; T800-C804 PolarHBondContact O-N 3.16Å; T800-C804 VanDerWaalsContact O-N 3.1Å; T800-C804 PolarHBondContact O-SG 3.39Å
801	T	90.5	Very high	88.5	Confident	16 Å²	16	35.6 Å²	35.6	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-51.9	178.5	-59.2	0	0	0	0	111.2	W576 P580 R797 V798 M803 C804 I805	W576-T801 HydrophobicContact CE3-CG2 4.21Å; W576-T801 PolarHBondContact O-OG1 3.27Å; P580-T801 HydrophobicContact CG-CG2 3.72Å; R797-T801 VanDerWaalsContact O-CB 3.3Å; R797-T801 WeakPolarHBondContact O-CB 3.5Å; R797-T801 PolarHBondContact O-N 2.92Å; R797-T801 PolarHBondContact O-OG1 2.87Å; V798-T801 WeakPolarHBondContact O-CB 3.48Å; V798-T801 PolarHBondContact O-N 3.17Å; V798-T801 VanDerWaalsContact O-N 3.11Å; T801-M803 VanDerWaalsContact C-N 3.3Å; T801-M803 PolarHBondContact O-N 3.36Å; T801-C804 PolarHBondContact O-N 3.25Å; T801-I805 HydrophobicContact CG2-CD1 3.97Å; T801-I805 WeakPolarHBondContact O-CG1 3.46Å; T801-I805 PolarHBondContact O-N 2.76Å; T801-I805 VanDerWaalsContact O-N 3.13Å
802	T	89.8	Confident	88.9	Confident	25 Å²	25	32.7 Å²	32.7	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-55.2	-46.8	177.1	-62.7	0	0	0	0	111.3	F785 I788 V798 C804 I805 S806	F785-T802 HydrophobicContact CD2-CG2 4.43Å; I788-T802 HydrophobicContact CB-CG2 4.42Å; I788-T802 HydrophobicContact CG2-CG2 3.73Å; V798-T802 PolarHBondContact O-N 3.09Å; V798-T802 PolarHBondContact O-OG1 3.3Å; T802-C804 PolarHBondContact O-N 2.87Å; T802-I805 PolarHBondContact O-N 2.96Å; T802-S806 PolarHBondContact O-N 3.35Å; T802-S806 PolarHBondContact O-OG 3.41Å
803	M	89.4	Confident	89.3	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-46.9	179.7	-176	-177.3	179.5	0	0	112.4	F632 L648 M737 F785 Q799 T800 T801 I805 S806 V807	F632-M803 HydrophobicContact CD1-CE 4.4Å; F632-M803 HydrophobicContact CD1-SD 4.12Å; F632-M803 HydrophobicContact CE1-CE 3.59Å; F632-M803 HydrophobicContact CE1-SD 3.77Å; F632-M803 HydrophobicContact CE2-CE 3.83Å; F632-M803 HydrophobicContact CZ-CE 3.28Å; F632-M803 HydrophobicContact CZ-SD 4.06Å; L648-M803 HydrophobicContact CD1-CE 3.52Å; L648-M803 HydrophobicContact CD2-CE 3.38Å; L648-M803 HydrophobicContact CG-CE 4.05Å; M737-M803 HydrophobicContact CE-CE 3.69Å; M737-M803 HydrophobicContact CE-SD 3.42Å; M737-M803 WeakPolarHBondContact CE-SD 3.29Å; M737-M803 HydrophobicContact CG-CE 4.42Å; M737-M803 HydrophobicContact SD-CE 3.58Å; M737-M803 VanDerWaalsContact SD-CE 3.58Å; M737-M803 HydrophobicContact SD-SD 3.88Å; F785-M803 HydrophobicContact CE2-CB 4.21Å; F785-M803 HydrophobicContact CE2-CG 4.41Å; F785-M803 HydrophobicContact CZ-CG 4.29Å; Q799-M803 WeakPolarHBondContact O-CB 3.37Å; Q799-M803 PolarHBondContact O-N 2.98Å; T800-M803 PolarHBondContact O-N 3.38Å; T801-M803 VanDerWaalsContact C-N 3.3Å; T801-M803 PolarHBondContact O-N 3.36Å; M803-I805 VanDerWaalsContact C-N 3.29Å; M803-I805 PolarHBondContact O-N 3.23Å; M803-S806 PolarHBondContact O-N 3.25Å; M803-V807 WeakPolarHBondContact O-CB 3.13Å; M803-V807 VanDerWaalsContact O-CG2 3.24Å; M803-V807 WeakPolarHBondContact O-CG2 3.26Å; M803-V807 PolarHBondContact O-N 2.92Å
804	C	92.1	Very high	89.9	Confident	1 Å²	1	30 Å²	30	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-36.3	178.2	-63.6	0	0	0	0	112.4	P580 T629 F632 T800 T801 T802 S808	P580-C804 HydrophobicContact CB-CB 3.63Å; P580-C804 HydrophobicContact CG-CB 4.19Å; T629-C804 HydrophobicContact CG2-CB 3.92Å; F632-C804 WeakPolarHBondContact CB-SG 3.24Å; T800-C804 PolarHBondContact O-N 3.16Å; T800-C804 VanDerWaalsContact O-N 3.1Å; T800-C804 PolarHBondContact O-SG 3.39Å; T801-C804 PolarHBondContact O-N 3.25Å; T802-C804 PolarHBondContact O-N 2.87Å; C804-S808 WeakPolarHBondContact O-CB 3.31Å; C804-S808 PolarHBondContact O-N 3.14Å; C804-S808 PolarHBondContact O-OG 3.47Å
805	I	92.4	Very high	90.6	Very high	65 Å²	65	25 Å²	25	33%	0.333	13%	0.129	S	C	.	.	H	α-helix	trans	-68.7	-47.7	177.1	-66.8	168.7	0	0	0	110.8	P580 I583 T801 T802 M803 V807 S808 L809	P580-I805 HydrophobicContact CB-CG1 4.45Å; P580-I805 HydrophobicContact CG-CD1 4.42Å; P580-I805 HydrophobicContact CG-CG1 4.14Å; I583-I805 HydrophobicContact CD1-CG1 4.43Å; T801-I805 HydrophobicContact CG2-CD1 3.97Å; T801-I805 WeakPolarHBondContact O-CG1 3.46Å; T801-I805 PolarHBondContact O-N 2.76Å; T801-I805 VanDerWaalsContact O-N 3.13Å; T802-I805 PolarHBondContact O-N 2.96Å; M803-I805 VanDerWaalsContact C-N 3.29Å; M803-I805 PolarHBondContact O-N 3.23Å; I805-V807 VanDerWaalsContact C-N 3.34Å; I805-V807 PolarHBondContact O-N 2.95Å; I805-S808 PolarHBondContact O-N 2.84Å; I805-L809 VanDerWaalsContact O-CB 3.29Å; I805-L809 WeakPolarHBondContact O-CB 3.44Å; I805-L809 PolarHBondContact O-N 3.18Å
806	S	91.2	Very high	91	Very high	16 Å²	16	24.2 Å²	24.2	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-37.2	178.6	-64.2	0	0	0	0	113.1	F785 T802 M803 S810	F785-S806 WeakPolarHBondContact CD2-OG 3.38Å; T802-S806 PolarHBondContact O-N 3.35Å; T802-S806 PolarHBondContact O-OG 3.41Å; M803-S806 PolarHBondContact O-N 3.25Å; S806-S810 PolarHBondContact O-N 3.27Å; S806-S810 PolarHBondContact O-OG 3.02Å
807	V	91.4	Very high	91.3	Very high	4 Å²	4	24 Å²	24	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-52.4	172.3	169.6	0	0	0	0	110.5	S625 M628 L648 F652 M803 I805 L809 S810 G811	S625-V807 VanDerWaalsContact O-CG1 3.29Å; S625-V807 WeakPolarHBondContact O-CG1 3.48Å; M628-V807 HydrophobicContact CB-CG1 4.47Å; L648-V807 HydrophobicContact CD1-CG2 3.88Å; F652-V807 HydrophobicContact CE2-CG2 4.11Å; F652-V807 HydrophobicContact CZ-CB 4.17Å; F652-V807 HydrophobicContact CZ-CG1 3.93Å; F652-V807 HydrophobicContact CZ-CG2 3.91Å; M803-V807 WeakPolarHBondContact O-CB 3.13Å; M803-V807 VanDerWaalsContact O-CG2 3.24Å; M803-V807 WeakPolarHBondContact O-CG2 3.26Å; M803-V807 PolarHBondContact O-N 2.92Å; I805-V807 VanDerWaalsContact C-N 3.34Å; I805-V807 PolarHBondContact O-N 2.95Å; V807-L809 PolarHBondContact O-N 2.85Å; V807-S810 WeakPolarHBondContact O-CB 3.41Å; V807-S810 PolarHBondContact O-N 3.38Å; V807-G811 PolarHBondContact O-N 2.93Å
808	S	93.6	Very high	91.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-40.1	-178.5	-57.9	0	0	0	0	112.4	Y626 T629 C804 I805 S810 G811 F812	Y626-S808 VanDerWaalsContact CE1-O 3.3Å; Y626-S808 WeakPolarHBondContact CE1-O 3.39Å; T629-S808 PolarHBondContact OG1-OG 2.89Å; C804-S808 WeakPolarHBondContact O-CB 3.31Å; C804-S808 PolarHBondContact O-N 3.14Å; C804-S808 PolarHBondContact O-OG 3.47Å; I805-S808 PolarHBondContact O-N 2.84Å; S808-S810 VanDerWaalsContact C-N 3.32Å; S808-S810 PolarHBondContact O-N 3.26Å; S808-G811 PolarHBondContact O-N 3.31Å; S808-F812 VanDerWaalsContact O-CD2 3.22Å; S808-F812 WeakPolarHBondContact O-CD2 3.42Å; S808-F812 PolarHBondContact O-N 3.49Å; S808-F812 VanDerWaalsContact O-N 3.09Å
809	L	93.1	Very high	91.4	Very high	80 Å²	80	19 Å²	19	42%	0.419	11%	0.114	S	C	.	.	H	α-helix	trans	-63.2	-37.3	178	-174.4	64.8	0	0	0	112	I781 I805 V807 G811 F812 V813	I781-L809 HydrophobicContact CD1-CD2 3.84Å; I781-L809 HydrophobicContact CD1-CG 3.81Å; I781-L809 HydrophobicContact CG1-CD2 3.91Å; I781-L809 HydrophobicContact CG1-CG 4.44Å; I781-L809 HydrophobicContact CG2-CD2 4.31Å; I805-L809 VanDerWaalsContact O-CB 3.29Å; I805-L809 WeakPolarHBondContact O-CB 3.44Å; I805-L809 PolarHBondContact O-N 3.18Å; V807-L809 PolarHBondContact O-N 2.85Å; L809-G811 VanDerWaalsContact C-N 3.3Å; L809-G811 PolarHBondContact O-N 3.44Å; L809-F812 PolarHBondContact O-N 3.38Å; L809-F812 VanDerWaalsContact O-N 3.14Å; L809-V813 WeakPolarHBondContact O-CG2 3.05Å; L809-V813 PolarHBondContact O-N 2.88Å
810	S	91.8	Very high	91.4	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-39.7	174.3	-60.6	0	0	0	0	111.7	W782 S806 V807 S808 V813 V814	W782-S810 PolarHBondContact NE1-OG 2.88Å; S806-S810 PolarHBondContact O-N 3.27Å; S806-S810 PolarHBondContact O-OG 3.02Å; V807-S810 WeakPolarHBondContact O-CB 3.41Å; V807-S810 PolarHBondContact O-N 3.38Å; S808-S810 VanDerWaalsContact C-N 3.32Å; S808-S810 PolarHBondContact O-N 3.26Å; S810-V813 PolarHBondContact O-N 3.42Å; S810-V814 PolarHBondContact O-N 3.37Å
811	G	92.8	Very high	91.4	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-43.6	171.5	0	0	0	0	0	112.9	V807 S808 L809 V813 V814 L815	V807-G811 PolarHBondContact O-N 2.93Å; S808-G811 PolarHBondContact O-N 3.31Å; L809-G811 VanDerWaalsContact C-N 3.3Å; L809-G811 PolarHBondContact O-N 3.44Å; G811-V813 VanDerWaalsContact C-N 3.33Å; G811-V813 PolarHBondContact O-N 3.35Å; G811-V814 PolarHBondContact O-N 3.21Å; G811-V814 VanDerWaalsContact O-N 3.17Å; G811-L815 PolarHBondContact O-N 3.46Å
812	F	94.5	Very high	91.2	Very high	55 Å²	55	21.5 Å²	21.5	24%	0.241	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-35.4	179.2	-82.5	-70.9	0	0	0	112.9	I583 L586 Y626 S808 L809 L815 G816	I583-F812 HydrophobicContact CG2-CD2 4.49Å; I583-F812 HydrophobicContact CG2-CE2 3.75Å; I583-F812 WeakPolarHBondContact O-CE2 3.47Å; L586-F812 HydrophobicContact CB-CZ 4.38Å; L586-F812 HydrophobicContact CD2-CZ 4.47Å; L586-F812 HydrophobicContact CG-CZ 4.27Å; Y626-F812 AromaticContact CE1-CD2 3.89Å; Y626-F812 HydrophobicContact CE1-CD2 3.89Å; Y626-F812 AromaticContact CE1-CE2 3.72Å; Y626-F812 HydrophobicContact CE1-CE2 3.72Å; Y626-F812 HydrophobicContact CE1-CZ 4.34Å; Y626-F812 WeakPolarHBondContact OH-CA 3.4Å; Y626-F812 WeakPolarHBondContact OH-CD2 3.46Å; Y626-F812 VanDerWaalsContact OH-CG 3.26Å; Y626-F812 WeakPolarHBondContact OH-CG 3.48Å; Y626-F812 PolarHBondContact OH-N 2.91Å; S808-F812 VanDerWaalsContact O-CD2 3.22Å; S808-F812 WeakPolarHBondContact O-CD2 3.42Å; S808-F812 PolarHBondContact O-N 3.49Å; S808-F812 VanDerWaalsContact O-N 3.09Å; L809-F812 PolarHBondContact O-N 3.38Å; L809-F812 VanDerWaalsContact O-N 3.14Å; F812-L815 PolarHBondContact O-N 3.28Å; F812-G816 PolarHBondContact O-N 3.37Å
813	V	94.5	Very high	91.1	Very high	14 Å²	14	21 Å²	21	9%	0.085	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-44.5	173	169.8	0	0	0	0	110.9	T774 T777 I781 L809 S810 G811 C817	T774-V813 HydrophobicContact CG2-CG1 4.08Å; T777-V813 HydrophobicContact CG2-CG1 4.12Å; T777-V813 HydrophobicContact CG2-CG2 3.7Å; I781-V813 HydrophobicContact CD1-CG2 3.58Å; L809-V813 WeakPolarHBondContact O-CG2 3.05Å; L809-V813 PolarHBondContact O-N 2.88Å; S810-V813 PolarHBondContact O-N 3.42Å; G811-V813 VanDerWaalsContact C-N 3.33Å; G811-V813 PolarHBondContact O-N 3.35Å; V813-C817 WeakPolarHBondContact O-CB 3.49Å; V813-C817 PolarHBondContact O-N 2.91Å; V813-C817 PolarHBondContact O-SG 3.04Å
814	V	92.1	Very high	91	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-45	176.4	177.7	0	0	0	0	111.4	L618 V622 T774 S810 G811 L818 F819	L618-V814 HydrophobicContact CD1-CG1 4Å; L618-V814 HydrophobicContact CD2-CG1 4.04Å; L618-V814 HydrophobicContact CG-CG1 4.01Å; V622-V814 HydrophobicContact CG2-CB 3.91Å; V622-V814 HydrophobicContact CG2-CG1 3.73Å; V622-V814 HydrophobicContact CG2-CG2 4.42Å; T774-V814 HydrophobicContact CG2-CG2 4.08Å; S810-V814 PolarHBondContact O-N 3.37Å; G811-V814 PolarHBondContact O-N 3.21Å; G811-V814 VanDerWaalsContact O-N 3.17Å; V814-L818 VanDerWaalsContact O-CB 3.25Å; V814-L818 WeakPolarHBondContact O-CB 3.31Å; V814-L818 PolarHBondContact O-N 2.98Å; V814-L818 VanDerWaalsContact O-N 3.14Å; V814-F819 HydrophobicContact CG1-CD2 4.18Å; V814-F819 HydrophobicContact CG1-CE2 3.93Å
815	L	92.7	Very high	90.5	Very high	12 Å²	12	27 Å²	27	6%	0.063	16%	0.16	C	C	.	.	I	π-helix	trans	-62.6	-52.9	177.6	-66.3	178.8	0	0	0	112.1	C590 V594 L619 V622 Y626 G811 F812 F819 A820	C590-L815 HydrophobicContact CB-CD1 4.02Å; V594-L815 HydrophobicContact CG2-CD2 4.36Å; L619-L815 HydrophobicContact CD2-CD2 4.02Å; V622-L815 HydrophobicContact CG1-CD1 4.38Å; V622-L815 HydrophobicContact CG1-CD2 4.08Å; V622-L815 HydrophobicContact CG1-CG 4.04Å; Y626-L815 HydrophobicContact CE2-CD1 4.11Å; G811-L815 PolarHBondContact O-N 3.46Å; F812-L815 PolarHBondContact O-N 3.28Å; L815-F819 CarbonylContact O-C 3.05Å; L815-F819 WeakPolarHBondContact O-CA 3.41Å; L815-F819 WeakPolarHBondContact O-CB 3.39Å; L815-F819 PolarHBondContact O-N 2.98Å; L815-F819 VanDerWaalsContact O-N 3.1Å; L815-A820 PolarHBondContact O-N 2.93Å
816	G	91.1	Very high	90.2	Very high	43 Å²	43	24.3 Å²	24.3	44%	0.443	15%	0.146	S	C	.	.	I	π-helix	trans	-69.5	-43.3	-174.8	0	0	0	0	0	113.5	F812 A820	F812-G816 PolarHBondContact O-N 3.37Å; G816-A820 WeakPolarHBondContact O-CB 3.01Å
817	C	90.3	Very high	89.8	Confident	17 Å²	17	27.5 Å²	27.5	12%	0.115	16%	0.162	C	C	.	.	I	π-helix	trans	-82.3	-36.3	-175.1	-57.1	0	0	0	0	113	F770 F773 T774 V813	F770-C817 WeakPolarHBondContact CB-O 3.45Å; F770-C817 WeakPolarHBondContact CD1-O 3.44Å; F773-C817 HydrophobicContact CD1-CB 3.97Å; F773-C817 WeakPolarHBondContact CD1-SG 3.46Å; F773-C817 VanDerWaalsContact CE1-SG 3.55Å; T774-C817 HydrophobicContact CG2-CB 4.48Å; T774-C817 VanDerWaalsContact OG1-CB 3.23Å; T774-C817 WeakPolarHBondContact OG1-CB 3.5Å; V813-C817 WeakPolarHBondContact O-CB 3.49Å; V813-C817 PolarHBondContact O-N 2.91Å; V813-C817 PolarHBondContact O-SG 3.04Å
818	L	88.5	Confident	89.5	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.191	C	C	.	.	I	π-helix	trans	-104	-36.7	-172.4	-166.4	72.7	0	0	0	114.2	L618 L659 I771 V814 K822	L618-L818 HydrophobicContact CD2-CD2 3.47Å; L618-L818 VanDerWaalsContact CD2-CD2 3.47Å; L659-L818 HydrophobicContact CD2-CD2 3.92Å; I771-L818 HydrophobicContact CB-CD1 4.42Å; I771-L818 HydrophobicContact CD1-CD1 4.49Å; I771-L818 HydrophobicContact CG1-CD1 3.42Å; I771-L818 VanDerWaalsContact CG1-CD1 3.42Å; V814-L818 VanDerWaalsContact O-CB 3.25Å; V814-L818 WeakPolarHBondContact O-CB 3.31Å; V814-L818 PolarHBondContact O-N 2.98Å; V814-L818 VanDerWaalsContact O-N 3.14Å; L818-K822 VanDerWaalsContact O-CE 3.27Å; L818-K822 WeakPolarHBondContact O-CE 3.28Å
819	F	90.8	Very high	88.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-100.9	-40.3	-172.2	-73.2	-81	0	0	0	113.7	V594 F598 C615 L618 L619 V814 L815 K822 V823	V594-F819 HydrophobicContact CG1-CB 3.96Å; V594-F819 HydrophobicContact CG1-CD1 3.77Å; V594-F819 HydrophobicContact CG1-CG 4.01Å; F598-F819 HydrophobicContact CE1-CD1 4.2Å; F598-F819 HydrophobicContact CE1-CE1 4.02Å; F598-F819 HydrophobicContact CE2-CD1 4.02Å; F598-F819 AromaticContact CZ-CD1 3.66Å; F598-F819 HydrophobicContact CZ-CD1 3.66Å; F598-F819 AromaticContact CZ-CE1 3.96Å; F598-F819 HydrophobicContact CZ-CE1 3.96Å; C615-F819 HydrophobicContact CB-CE1 4.19Å; C615-F819 HydrophobicContact CB-CZ 4.36Å; L618-F819 HydrophobicContact CD2-CE2 3.78Å; L618-F819 HydrophobicContact CD2-CZ 3.99Å; L618-F819 HydrophobicContact CG-CE2 4.06Å; L618-F819 HydrophobicContact CG-CZ 4.29Å; L619-F819 HydrophobicContact CD1-CD1 4.37Å; L619-F819 HydrophobicContact CD1-CE1 3.77Å; L619-F819 HydrophobicContact CD1-CZ 4.03Å; L619-F819 HydrophobicContact CD2-CD1 4.27Å; L619-F819 HydrophobicContact CD2-CD2 4.06Å; L619-F819 HydrophobicContact CD2-CE1 4.06Å; L619-F819 HydrophobicContact CD2-CE2 3.83Å; L619-F819 HydrophobicContact CD2-CG 4.27Å; L619-F819 HydrophobicContact CD2-CZ 3.83Å; L619-F819 HydrophobicContact CG-CE1 3.87Å; L619-F819 HydrophobicContact CG-CE2 4.08Å; L619-F819 HydrophobicContact CG-CZ 3.61Å; V814-F819 HydrophobicContact CG1-CD2 4.18Å; V814-F819 HydrophobicContact CG1-CE2 3.93Å; L815-F819 CarbonylContact O-C 3.05Å; L815-F819 WeakPolarHBondContact O-CA 3.41Å; L815-F819 WeakPolarHBondContact O-CB 3.39Å; L815-F819 PolarHBondContact O-N 2.98Å; L815-F819 VanDerWaalsContact O-N 3.1Å; F819-K822 WeakPolarHBondContact O-CA 3.47Å; F819-K822 WeakPolarHBondContact O-CB 3.48Å; F819-K822 PolarHBondContact O-N 3.35Å; F819-V823 PolarHBondContact O-N 3.38Å
820	A	89.2	Confident	88	Confident	52 Å²	52	36.6 Å²	36.6	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-55.9	-41.9	-179.1	0	0	0	0	0	113.9	L815 G816 K822 V823 H824	L815-A820 PolarHBondContact O-N 2.93Å; G816-A820 WeakPolarHBondContact O-CB 3.01Å; A820-K822 PolarHBondContact O-N 3.06Å; A820-V823 PolarHBondContact O-N 3.48Å; A820-H824 VanDerWaalsContact O-CB 3.28Å; A820-H824 WeakPolarHBondContact O-CB 3.48Å; A820-H824 PolarHBondContact O-N 2.7Å
821	P	86.8	Confident	87	Confident	35 Å²	35	42.7 Å²	42.7	23%	0.227	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-30.9	174.8	-24.1	34.8	0	0	0	113.3	F770 I825	F770-P821 HydrophobicContact CD1-CG 3.92Å; F770-P821 HydrophobicContact CE1-CB 4.16Å; F770-P821 HydrophobicContact CE1-CG 3.67Å; F770-P821 HydrophobicContact CE2-CB 4.25Å; F770-P821 HydrophobicContact CG-CG 4.47Å; F770-P821 HydrophobicContact CZ-CB 3.96Å; F770-P821 HydrophobicContact CZ-CG 4Å; P821-I825 WeakPolarHBondContact O-CD1 3.37Å; P821-I825 VanDerWaalsContact O-CG1 3.29Å; P821-I825 WeakPolarHBondContact O-CG1 3.24Å; P821-I825 PolarHBondContact O-N 3.44Å
822	K	86.7	Confident	85.7	Confident	16 Å²	16	49 Å²	49	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-81.7	-43.9	-178.9	-56.3	-177.9	-176.9	-170.3	0	111.9	F598 L606 S610 E767 L818 F819 A820 H824 I825 I826	F598-K822 HydrophobicContact CZ-CB 4.27Å; F598-K822 HydrophobicContact CZ-CD 4.22Å; L606-K822 HydrophobicContact CD2-CB 4.5Å; S610-K822 PolarHBondContact OG-NZ 3.35Å; E767-K822 VanDerWaalsContact CD-NZ 3.34Å; E767-K822 IonicContact OE1-NZ 2.62Å; E767-K822 PolarHBondContact OE1-NZ 3.04Å; E767-K822 IonicContact OE2-NZ 3.63Å; L818-K822 VanDerWaalsContact O-CE 3.27Å; L818-K822 WeakPolarHBondContact O-CE 3.28Å; F819-K822 WeakPolarHBondContact O-CA 3.47Å; F819-K822 WeakPolarHBondContact O-CB 3.48Å; F819-K822 PolarHBondContact O-N 3.35Å; A820-K822 PolarHBondContact O-N 3.06Å; K822-H824 VanDerWaalsContact C-N 3.25Å; K822-H824 PolarHBondContact O-N 3.07Å; K822-I825 PolarHBondContact O-N 2.99Å; K822-I826 VanDerWaalsContact O-CG1 3.26Å; K822-I826 WeakPolarHBondContact O-CG1 3.33Å; K822-I826 PolarHBondContact O-N 3.12Å
823	V	88.1	Confident	84.5	Confident	14 Å²	14	47.4 Å²	47.4	9%	0.085	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-41.1	173.1	173.6	0	0	0	0	109.9	V594 V597 F598 F819 A820 I825 I826 L827	V594-V823 HydrophobicContact CG1-CG2 4.18Å; V594-V823 HydrophobicContact CG2-CG2 4.21Å; V597-V823 HydrophobicContact CG1-CG1 4.49Å; F598-V823 HydrophobicContact CE2-CG2 3.98Å; F819-V823 PolarHBondContact O-N 3.38Å; A820-V823 PolarHBondContact O-N 3.48Å; V823-I825 PolarHBondContact O-N 3.4Å; V823-I826 PolarHBondContact O-N 2.86Å; V823-L827 HydrophobicContact CG1-CD1 3.64Å; V823-L827 HydrophobicContact CG1-CG 4.21Å; V823-L827 WeakPolarHBondContact O-CB 3.45Å; V823-L827 WeakPolarHBondContact O-CG 3.47Å; V823-L827 PolarHBondContact O-N 2.62Å
824	H	86.5	Confident	83.2	Confident	86 Å²	86	51.3 Å²	51.3	40%	0.398	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-45	173.4	179.9	-90.5	0	0	0	112.7	A820 K822 F828 Q829	A820-H824 VanDerWaalsContact O-CB 3.28Å; A820-H824 WeakPolarHBondContact O-CB 3.48Å; A820-H824 PolarHBondContact O-N 2.7Å; K822-H824 VanDerWaalsContact C-N 3.25Å; K822-H824 PolarHBondContact O-N 3.07Å; H824-F828 AromaticContact CD2-CD2 3.72Å; H824-F828 WeakPolarHBondContact O-CA 3.49Å; H824-F828 WeakPolarHBondContact O-CB 3.31Å; H824-F828 PolarHBondContact O-N 3.09Å; H824-Q829 PolarHBondContact O-N 3.25Å
825	I	83.3	Confident	81.5	Confident	46 Å²	46	57 Å²	57	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-41.5	175.4	-68.7	163.9	0	0	0	111.8	L606 P821 K822 V823 Q829 K832	L606-I825 HydrophobicContact CD2-CB 4.13Å; L606-I825 HydrophobicContact CD2-CG2 3.81Å; P821-I825 WeakPolarHBondContact O-CD1 3.37Å; P821-I825 VanDerWaalsContact O-CG1 3.29Å; P821-I825 WeakPolarHBondContact O-CG1 3.24Å; P821-I825 PolarHBondContact O-N 3.44Å; K822-I825 PolarHBondContact O-N 2.99Å; V823-I825 PolarHBondContact O-N 3.4Å; I825-Q829 CarbonylContact O-C 3.27Å; I825-Q829 WeakPolarHBondContact O-CA 3.47Å; I825-Q829 PolarHBondContact O-N 3.24Å; I825-K832 HydrophobicContact CG2-CB 4.14Å
826	I	84.6	Confident	79.3	Confident	9 Å²	9	62.2 Å²	62.2	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-40.6	-179.2	-69.5	164.6	0	0	0	111.9	V597 F598 H601 L606 V607 K822 V823	V597-I826 HydrophobicContact CG1-CB 4.42Å; V597-I826 HydrophobicContact CG1-CG2 3.79Å; F598-I826 HydrophobicContact CE2-CD1 4.24Å; H601-I826 HydrophobicContact CB-CG2 3.87Å; L606-I826 HydrophobicContact CD2-CD1 4.44Å; L606-I826 HydrophobicContact CD2-CG1 4.03Å; V607-I826 HydrophobicContact CG2-CD1 3.84Å; K822-I826 VanDerWaalsContact O-CG1 3.26Å; K822-I826 WeakPolarHBondContact O-CG1 3.33Å; K822-I826 PolarHBondContact O-N 3.12Å; V823-I826 PolarHBondContact O-N 2.86Å
827	L	84	Confident	76.8	Confident	83 Å²	83	69.3 Å²	69.3	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-91.1	-41.8	-174.6	-62.4	179.6	0	0	0	113.7	V597 V823	V597-L827 HydrophobicContact CG1-CD2 4.28Å; V597-L827 HydrophobicContact CG1-CG 4.47Å; V597-L827 HydrophobicContact CG2-CD1 4.38Å; V597-L827 HydrophobicContact CG2-CD2 4.4Å; V823-L827 HydrophobicContact CG1-CD1 3.64Å; V823-L827 HydrophobicContact CG1-CG 4.21Å; V823-L827 WeakPolarHBondContact O-CB 3.45Å; V823-L827 WeakPolarHBondContact O-CG 3.47Å; V823-L827 PolarHBondContact O-N 2.62Å
828	F	83.9	Confident	74.2	Confident	146 Å²	146	79 Å²	79	64%	0.64	40%	0.401	S	S	*	.	H	α-helix	trans	-111	-13	-170.5	-58.4	-78.5	0	0	0	114.5	H824 P830	H824-F828 AromaticContact CD2-CD2 3.72Å; H824-F828 WeakPolarHBondContact O-CA 3.49Å; H824-F828 WeakPolarHBondContact O-CB 3.31Å; H824-F828 PolarHBondContact O-N 3.09Å; F828-P830 VanDerWaalsContact C-CD 3.47Å
829	Q	80.8	Confident	71.6	Confident	55 Å²	55	86.2 Å²	86.2	26%	0.257	44%	0.439	S	S	.	.			trans	-134.1	51.9	177.8	-57.7	-172.1	-3.8	0	0	113.2	H824 I825 Q831 K832	H824-Q829 PolarHBondContact O-N 3.25Å; I825-Q829 CarbonylContact O-C 3.27Å; I825-Q829 WeakPolarHBondContact O-CA 3.47Å; I825-Q829 PolarHBondContact O-N 3.24Å; Q829-Q831 VanDerWaalsContact CA-OE1 3.27Å; Q829-Q831 PolarHBondContact O-N 3.2Å; Q829-Q831 VanDerWaalsContact O-N 3.07Å; Q829-K832 HydrophobicContact CB-CD 4.31Å; Q829-K832 PolarHBondContact O-N 3.39Å
830	P	75.6	Confident	68.8	Low	75 Å²	75	95.5 Å²	95.5	49%	0.487	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-57.6	-25.3	-176.7	25.6	-36.1	0	0	0	114	F828 K832 N833	F828-P830 VanDerWaalsContact C-CD 3.47Å; P830-K832 PolarHBondContact O-N 3.38Å; P830-K832 VanDerWaalsContact O-N 3.14Å; P830-N833 VanDerWaalsContact O-CB 3.3Å; P830-N833 WeakPolarHBondContact O-CB 3.14Å; P830-N833 PolarHBondContact O-N 3.35Å
831	Q	69.8	Low	66.3	Low	131 Å²	131	100 Å²	100	61%	0.612	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-60.2	-17.9	173.1	69.3	-81	20.4	0	0	114.1	Q829	Q829-Q831 VanDerWaalsContact CA-OE1 3.27Å; Q829-Q831 PolarHBondContact O-N 3.2Å; Q829-Q831 VanDerWaalsContact O-N 3.07Å
832	K	66.6	Low	63.8	Low	135 Å²	135	105.7 Å²	105.7	59%	0.587	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-91.3	2.8	172.7	-65	-178.7	179.6	171.7	0	113.4	I825 Q829 P830	I825-K832 HydrophobicContact CG2-CB 4.14Å; Q829-K832 HydrophobicContact CB-CD 4.31Å; Q829-K832 PolarHBondContact O-N 3.39Å; P830-K832 PolarHBondContact O-N 3.38Å; P830-K832 VanDerWaalsContact O-N 3.14Å
833	N	68.3	Low	61.2	Low	21 Å²	21	116.4 Å²	116.4	11%	0.112	57%	0.567	C	S	.	*	S	Bend	trans	-105.8	43.2	-174.5	-158.5	0.6	0	0	0	112.3	T604 P605 L606 P830	T604-N833 WeakPolarHBondContact CB-ND2 3.48Å; P605-N833 WeakPolarHBondContact CD-O 3.42Å; P605-N833 WeakPolarHBondContact CD-OD1 3.37Å; P605-N833 WeakPolarHBondContact CG-O 3.3Å; L606-N833 VanDerWaalsContact CB-OD1 3.22Å; L606-N833 WeakPolarHBondContact CB-OD1 3.41Å; L606-N833 PolarHBondContact N-OD1 3.24Å; L606-N833 VanDerWaalsContact N-OD1 3.17Å; P830-N833 VanDerWaalsContact O-CB 3.3Å; P830-N833 WeakPolarHBondContact O-CB 3.14Å; P830-N833 PolarHBondContact O-N 3.35Å
834	V	66.9	Low	58.6	Low	97 Å²	97	126.1 Å²	126.1	59%	0.588	61%	0.608	S	S	*	*	S	Bend	trans	-126	161.5	179.9	-65.1	0	0	0	0	111.4
835	V	56.7	Low	55.9	Low	122 Å²	122	127.3 Å²	127.3	74%	0.739	63%	0.626	S	S	*	*	S	Bend	trans	-82.5	-20.2	-169.2	179.4	0	0	0	0	113.5	P605 H837	P605-V835 HydrophobicContact CB-CG2 3.86Å; P605-V835 HydrophobicContact CG-CG2 4.2Å; V835-H837 PolarHBondContact O-N 2.83Å
836	T	46	Very low	53.5	Low	122 Å²	122	131.8 Å²	131.8	75%	0.748	66%	0.655	S	S	*	*			trans	-84.9	73	-164.7	18.2	0	0	0	0	114.4
837	H	39.1	Very low	51.1	Low	192 Å²	192	137.1 Å²	137.1	89%	0.889	69%	0.693	S	S	*	*			trans	-149.8	59.7	154.3	-132.9	-89.5	0	0	0	113.4	V835	V835-H837 PolarHBondContact O-N 2.83Å
838	R	36.7	Very low	48.5	Very low	221 Å²	221	137.1 Å²	137.1	83%	0.834	71%	0.713	S	S	*	*			trans	-121.7	117.9	169	-85.5	-171	171.1	-168.9	-2.4	111.4
839	L	34.3	Very low	46	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	73%	0.728	S	S	*	*			trans	61.3	115.6	161	-61.1	170	0	0	0	117.7
840	H	30.7	Very low	43.6	Very low	194 Å²	194	138.4 Å²	138.4	90%	0.898	75%	0.752	S	S	*	*			trans	-136.4	65.8	136.5	-148.7	-82.4	0	0	0	110.9
841	L	36.6	Very low	41.4	Very low	146 Å²	146	141.4 Å²	141.4	76%	0.764	77%	0.769	S	S	*	*			trans	-129.4	147.1	170.9	-96.5	168	0	0	0	109.3
842	N	33.9	Very low	39.6	Very low	156 Å²	156	141 Å²	141	83%	0.834	78%	0.775	S	S	*	*			trans	66.8	87.6	-178.6	-61.5	-2.5	0	0	0	116.7
843	R	31.9	Very low	37.8	Very low	241 Å²	241	145.5 Å²	145.5	91%	0.909	79%	0.79	S	S	*	*			trans	-147.5	76.9	143.2	-135.7	176.7	-166.7	165.2	3.7	112.4
844	F	33.9	Very low	35.9	Very low	218 Å²	218	149.9 Å²	149.9	96%	0.956	82%	0.823	S	S	*	*			trans	-122.1	82.4	165.9	-104.7	-73.3	0	0	0	108.9
845	S	30.7	Very low	34.1	Very low	111 Å²	111	154.1 Å²	154.1	78%	0.776	84%	0.836	S	S	*	*			trans	-159.1	104.8	166	44.8	0	0	0	0	111.5
846	V	32.5	Very low	32.8	Very low	140 Å²	140	153.1 Å²	153.1	85%	0.848	83%	0.834	S	S	*	*			trans	-32.1	126.8	169.8	179.7	0	0	0	0	115.3
847	S	33.8	Very low	32	Very low	121 Å²	121	152.4 Å²	152.4	85%	0.846	84%	0.835	S	S	*	*				169.9	129.4	125.1	-75.8	0	0	0	0	112.1
848	G	29	Very low	31.5	Very low	82 Å²	82	147.4 Å²	147.4	85%	0.845	83%	0.826	S	S	*	*			trans	145.1	123.3	174.7	0	0	0	0	0	112.6
849	T	31.7	Very low	31.2	Very low	156 Å²	156	142.4 Å²	142.4	96%	0.957	83%	0.825	S	S	*	*			trans	-95.1	146	-176	41.2	0	0	0	0	112.5
850	G	31.3	Very low	31	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	83%	0.828	S	S	*	*			trans	158.7	109.8	170.8	0	0	0	0	0	115.1
851	T	29.7	Very low	30.9	Very low	137 Å²	137	145.1 Å²	145.1	84%	0.84	83%	0.828	S	S	*	*			trans	-27.8	143.6	161.3	50	0	0	0	0	115.4
852	T	30.5	Very low	30.7	Very low	123 Å²	123	143.4 Å²	143.4	76%	0.755	82%	0.823	S	S	*	*				-166.9	171.4	56.8	-46.7	0	0	0	0	111.7
853	Y	29.1	Very low	30.9	Very low	229 Å²	229	141.1 Å²	141.1	90%	0.898	82%	0.817	S	S	*	*			trans	-36.2	158.8	169.5	-67.6	-102.5	0	0	0	116.4
854	S	29.1	Very low	30.9	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	81%	0.808	S	S	*	*			cis	-148.7	-179.1	22.2	63.6	0	0	0	0	115.2
855	Q	28.9	Very low	30.8	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	80%	0.803	S	S	*	*			trans	-74.2	178.2	172.3	-57.6	161.7	-38.9	0	0	111.2
856	S	28.6	Very low	30.7	Very low	100 Å²	100	132 Å²	132	70%	0.699	81%	0.805	S	S	*	*			cis	-162.7	161.8	22	61.4	0	0	0	0	114.8
857	S	29.4	Very low	30.7	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	81%	0.807	S	S	*	*			trans	39.4	156	140	63.2	0	0	0	0	123.8
858	A	30.3	Very low	30.6	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	80%	0.799	S	S	*	*			cis	-178.5	-178.3	-20.3	0	0	0	0	0	108.8
859	S	29.4	Very low	30.6	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	80%	0.802	S	S	*	*			trans	59.9	138.6	-179.9	66.7	0	0	0	0	117.1
860	M	30.8	Very low	30.6	Very low	177 Å²	177	138.1 Å²	138.1	87%	0.872	79%	0.791	S	S	*	*			cis	78.7	113.5	29.8	-76.6	-168	156.4	0	0	117
861	Y	26.9	Very low	30.4	Very low	228 Å²	228	141.7 Å²	141.7	89%	0.894	80%	0.798	S	S	*	*			trans	-154.3	149.7	136.5	-126.4	-83.8	0	0	0	111.1
862	V	33.5	Very low	30.6	Very low	109 Å²	109	141.4 Å²	141.4	66%	0.661	79%	0.791	S	S	*	*			trans	-146.8	136.9	-178.9	-179.3	0	0	0	0	108.8	T864	V862-T864 HydrophobicContact CG1-CG2 4.23Å
863	P	37.9	Very low	30.4	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	80%	0.797	S	S	*	*				-139.7	157	122.3	36.9	-22.7	0	0	0	112
864	T	31.6	Very low	30.6	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.724	78%	0.784	S	S	*	*			cis	71.8	144.4	28.9	66	0	0	0	0	116.2	V862	V862-T864 HydrophobicContact CG1-CG2 4.23Å
865	V	33	Very low	30.7	Very low	140 Å²	140	138.7 Å²	138.7	85%	0.848	79%	0.791	S	S	*	*			cis	-100.3	-119.6	-7	-154.2	0	0	0	0	110.7
866	C	26.8	Very low	31.1	Very low	120 Å²	120	136.1 Å²	136.1	81%	0.811	79%	0.788	S	S	*	*			cis	-149.2	179.1	-8.6	-155.9	0	0	0	0	109.8
867	N	33.2	Very low	31.1	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	80%	0.797	S	S	*	*			trans	-157.9	159	-166	-156.2	5.2	0	0	0	116
868	G	31	Very low	31.3	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	80%	0.797	S	S	*	*			trans	90	159.4	164	0	0	0	0	0	117.9
869	R	29.5	Very low	31.4	Very low	240 Å²	240	145 Å²	145	91%	0.906	83%	0.825	S	S	*	*			cis	-157.4	165.9	-3.1	-160.3	173.3	-174.7	171.2	1.6	111.7
870	E	31.8	Very low	31.5	Very low	155 Å²	155	146.6 Å²	146.6	72%	0.724	83%	0.826	S	S	*	*			trans	-79.5	165.7	-173.8	-52.7	138.3	119.3	0	0	115.6
871	V	28.4	Very low	31.5	Very low	147 Å²	147	144.9 Å²	144.9	89%	0.891	82%	0.823	S	S	*	*			trans	-132.6	137.7	150.6	176.8	0	0	0	0	107.8
872	L	32.2	Very low	31.8	Very low	132 Å²	132	140.3 Å²	140.3	69%	0.691	82%	0.819	S	S	*	*			trans	-86.3	156	173.3	-88.6	73	0	0	0	110.8
873	D	27.4	Very low	31.7	Very low	165 Å²	165	142.2 Å²	142.2	88%	0.882	83%	0.829	S	S	*	*			trans	-140	156.8	143.3	-141.2	-28	0	0	0	110.6
874	S	32.5	Very low	31.3	Very low	91 Å²	91	144.3 Å²	144.3	64%	0.636	84%	0.836	S	S	*	*			trans	-135.9	121.7	-163.2	-61	0	0	0	0	113.5
875	T	31.3	Very low	31.3	Very low	152 Å²	152	146 Å²	146	93%	0.933	84%	0.844	S	S	*	*			trans	-137	141.7	161.4	36.7	0	0	0	0	111.5
876	T	36.7	Very low	31.2	Very low	133 Å²	133	146.4 Å²	146.4	82%	0.816	84%	0.843	S	S	*	*			trans	-100.9	145.1	-175.1	48.6	0	0	0	0	111.9
877	S	29.3	Very low	31.5	Very low	126 Å²	126	148.5 Å²	148.5	88%	0.881	85%	0.846	S	S	*	*				-172.5	150.7	119.1	-81	0	0	0	0	111.2
878	S	33.6	Very low	31.4	Very low	109 Å²	109	147 Å²	147	76%	0.762	84%	0.842	S	S	*	*			trans	-137.2	135.4	178.3	57	0	0	0	0	110.3
879	L	32.8	Very low	31.4	Very low	247 Å²	247	154.3 Å²	154.3	100%	1.293	86%	0.856	S	S	*	*			trans	-163	0	136	-106.8	164	0	0	0	109.4

Retrieved 879 of 879 residues in 1196.7 ms (Link to these results)

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