A0A087XX14_POEFO Loading...

Long-chain-fatty-acid--CoA ligase

Catalyzes the conversion of long-chain fatty acids to their active form acyl-CoAs for both synthesis of cellular lipids, and degradation via beta-oxidation.

AlphaFold DB , UniProt , Accession A0A087XX14, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 699 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	50.1	Low	212 Å²	212	123.5 Å²	123.5	100%	1.044	59%	0.592	S	S	*	*				0	11.8	0	-120.7	170.8	73.7	0	0	114.5
2	Q	56.7	Low	49.9	Very low	171 Å²	171	120.4 Å²	120.4	80%	0.799	59%	0.594	S	S	*	*			trans	-112.2	-13.5	-174.9	-85.7	173.7	-25.2	0	0	116.3	W6	Q2-W6 PolarHBondContact O-N 2.93Å
3	L	46.6	Very low	50	Low	123 Å²	123	123.9 Å²	123.9	64%	0.644	61%	0.607	S	S	*	*	H	α-helix	trans	-82.7	-35.7	-177.3	-160.5	83	0	0	0	113.1	E5 W6 L7	L3-E5 VanDerWaalsContact C-N 3.35Å; L3-W6 PolarHBondContact O-N 3.35Å; L3-L7 HydrophobicContact CD2-CD1 4.25Å; L3-L7 HydrophobicContact CG-CD1 4.18Å; L3-L7 WeakPolarHBondContact O-CB 3.47Å; L3-L7 WeakPolarHBondContact O-CG 3.43Å; L3-L7 PolarHBondContact O-N 3.48Å
4	Q	49.7	Very low	49.8	Very low	129 Å²	129	119.9 Å²	119.9	60%	0.603	60%	0.604	S	S	*	*	H	α-helix	trans	-66.6	-35.5	178.6	-86.2	176.7	-37.4	0	0	112.4	R8	Q4-R8 VanDerWaalsContact O-CG 3.29Å; Q4-R8 WeakPolarHBondContact O-CG 3.42Å; Q4-R8 PolarHBondContact O-N 2.67Å; Q4-R8 VanDerWaalsContact O-N 3.11Å
5	E	50.8	Low	49.4	Very low	128 Å²	128	116.1 Å²	116.1	60%	0.598	61%	0.607	S	S	*	*	H	α-helix	trans	-71.9	-37.6	175	-71	-178.7	160.7	0	0	111.8	L3 R8 S9	L3-E5 VanDerWaalsContact C-N 3.35Å; E5-R8 PolarHBondContact O-N 2.94Å; E5-S9 PolarHBondContact O-N 3.22Å; E5-S9 VanDerWaalsContact O-N 3.13Å
6	W	56.3	Low	49.2	Very low	158 Å²	158	114.9 Å²	114.9	60%	0.598	60%	0.601	S	S	*	*	H	α-helix	trans	-65.5	-40.9	175	-172.8	78.4	0	0	0	112.6	Q2 L3 S9 L10	Q2-W6 PolarHBondContact O-N 2.93Å; L3-W6 PolarHBondContact O-N 3.35Å; W6-S9 WeakPolarHBondContact O-CB 3.41Å; W6-S9 PolarHBondContact O-N 2.81Å; W6-L10 HydrophobicContact CD2-CD1 4.15Å; W6-L10 HydrophobicContact CE3-CD1 3.84Å; W6-L10 HydrophobicContact CH2-CD1 3.58Å; W6-L10 HydrophobicContact CZ2-CD1 3.87Å; W6-L10 HydrophobicContact CZ3-CD1 3.55Å; W6-L10 PolarHBondContact O-N 2.98Å
7	L	48.1	Very low	49	Very low	67 Å²	67	119.9 Å²	119.9	35%	0.351	62%	0.617	S	S	.	*	H	α-helix	trans	-67.5	-35.4	175.3	-73.2	165.7	0	0	0	112.5	L3 S9 L10 C11 W25	L3-L7 HydrophobicContact CD2-CD1 4.25Å; L3-L7 HydrophobicContact CG-CD1 4.18Å; L3-L7 WeakPolarHBondContact O-CB 3.47Å; L3-L7 WeakPolarHBondContact O-CG 3.43Å; L3-L7 PolarHBondContact O-N 3.48Å; L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 2.92Å; L7-L10 PolarHBondContact O-N 3.13Å; L7-C11 PolarHBondContact O-N 3.03Å; L7-W25 HydrophobicContact CB-CH2 4.43Å
8	R	51.4	Low	49.8	Very low	170 Å²	170	116.3 Å²	116.3	64%	0.642	61%	0.613	S	S	*	*	H	α-helix	trans	-64.3	-36	173.3	-78.1	175.3	-178.1	179.9	0.6	112.6	Q4 E5 S12	Q4-R8 VanDerWaalsContact O-CG 3.29Å; Q4-R8 WeakPolarHBondContact O-CG 3.42Å; Q4-R8 PolarHBondContact O-N 2.67Å; Q4-R8 VanDerWaalsContact O-N 3.11Å; E5-R8 PolarHBondContact O-N 2.94Å; R8-S12 PolarHBondContact O-N 3.21Å
9	S	51.4	Low	49.7	Very low	62 Å²	62	114.7 Å²	114.7	43%	0.434	61%	0.613	S	S	.	*	H	α-helix	trans	-62.4	-44.2	176	170.6	0	0	0	0	112.3	E5 W6 L7 C11 S12 H13	E5-S9 PolarHBondContact O-N 3.22Å; E5-S9 VanDerWaalsContact O-N 3.13Å; W6-S9 WeakPolarHBondContact O-CB 3.41Å; W6-S9 PolarHBondContact O-N 2.81Å; L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 2.92Å; S9-C11 PolarHBondContact O-N 2.77Å; S9-S12 PolarHBondContact O-N 3.41Å; S9-S12 PolarHBondContact O-OG 3.13Å; S9-H13 PolarHBondContact O-N 3.29Å
10	L	47.8	Very low	49.8	Very low	84 Å²	84	115.3 Å²	115.3	44%	0.44	61%	0.612	S	S	.	*	H	α-helix	trans	-63.9	-40	179.7	-79	162.6	0	0	0	113.7	W6 L7 S12 H13 A14	W6-L10 HydrophobicContact CD2-CD1 4.15Å; W6-L10 HydrophobicContact CE3-CD1 3.84Å; W6-L10 HydrophobicContact CH2-CD1 3.58Å; W6-L10 HydrophobicContact CZ2-CD1 3.87Å; W6-L10 HydrophobicContact CZ3-CD1 3.55Å; W6-L10 PolarHBondContact O-N 2.98Å; L7-L10 PolarHBondContact O-N 3.13Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.98Å; L10-H13 PolarHBondContact O-N 3.09Å; L10-A14 PolarHBondContact O-N 2.66Å
11	C	47.8	Very low	49.8	Very low	54 Å²	54	111.4 Å²	111.4	37%	0.365	60%	0.596	S	S	.	*	H	α-helix	trans	-67.1	-32.9	177.4	-69.7	0	0	0	0	112.7	L7 S9 H13 A14	L7-C11 PolarHBondContact O-N 3.03Å; S9-C11 PolarHBondContact O-N 2.77Å; C11-H13 VanDerWaalsContact C-N 3.31Å; C11-H13 PolarHBondContact O-N 2.9Å; C11-A14 PolarHBondContact O-N 3.12Å
12	S	47.8	Very low	50.2	Low	87 Å²	87	108.4 Å²	108.4	61%	0.608	58%	0.579	S	S	*	*	H	α-helix	trans	-67	-31.8	176.2	82.6	0	0	0	0	112.9	R8 S9 L10	R8-S12 PolarHBondContact O-N 3.21Å; S9-S12 PolarHBondContact O-N 3.41Å; S9-S12 PolarHBondContact O-OG 3.13Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.98Å
13	H	50.8	Low	50.1	Low	166 Å²	166	106.7 Å²	106.7	77%	0.769	57%	0.571	S	S	*	*	H	α-helix	trans	-80.8	-20.8	176.8	-82.5	7.2	0	0	0	113.7	S9 L10 C11	S9-H13 PolarHBondContact O-N 3.29Å; L10-H13 PolarHBondContact O-N 3.09Å; C11-H13 VanDerWaalsContact C-N 3.31Å; C11-H13 PolarHBondContact O-N 2.9Å
14	A	48.2	Very low	50.3	Low	68 Å²	68	106.2 Å²	106.2	56%	0.562	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-0.3	179.4	0	0	0	0	0	114.3	L10 C11 L16	L10-A14 PolarHBondContact O-N 2.66Å; C11-A14 PolarHBondContact O-N 3.12Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 HydrophobicContact CB-CD1 4.44Å; A14-L16 PolarHBondContact O-N 3.26Å
15	G	42.8	Very low	50.3	Low	63 Å²	63	105 Å²	105	65%	0.649	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.5	10.9	172.5	0	0	0	0	0	116.2	K17	G15-K17 PolarHBondContact O-N 2.79Å
16	L	47	Very low	50.5	Low	97 Å²	97	102.8 Å²	102.8	51%	0.508	56%	0.557	S	S	.	*			trans	-73.6	117.7	177.5	-70.8	159.5	0	0	0	110.1	A14	A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 HydrophobicContact CB-CD1 4.44Å; A14-L16 PolarHBondContact O-N 3.26Å
17	K	46	Very low	50.3	Low	200 Å²	200	101.2 Å²	101.2	87%	0.87	56%	0.56	S	S	*	*			trans	-114.6	136.4	174.6	-79.2	-174.3	177.1	179.6	0	110.6	G15	G15-K17 PolarHBondContact O-N 2.79Å
18	G	62.8	Low	50.5	Low	54 Å²	54	100.9 Å²	100.9	56%	0.557	56%	0.558	S	S	*	*	S	Bend	trans	81.2	-165.8	167.1	0	0	0	0	0	115.4	E20 A21	G18-E20 PolarHBondContact O-N 3.15Å; G18-A21 PolarHBondContact O-N 3.12Å
19	S	48.5	Very low	50.4	Low	86 Å²	86	97.8 Å²	97.8	60%	0.601	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.1	-24.2	-161.1	57.2	0	0	0	0	117.6	A21 E22 E23	S19-A21 VanDerWaalsContact C-N 3.34Å; S19-A21 PolarHBondContact O-N 3.45Å; S19-E22 PolarHBondContact O-N 3.2Å; S19-E23 PolarHBondContact O-N 3Å
20	E	50.5	Low	50.6	Low	127 Å²	127	99.8 Å²	99.8	59%	0.593	57%	0.574	S	S	*	*	H	α-helix	trans	-66.3	-32.3	175.8	-66.2	-176.6	162.3	0	0	113.1	G18 L24	G18-E20 PolarHBondContact O-N 3.15Å; E20-L24 PolarHBondContact O-N 3.48Å
21	A	50.7	Low	51	Low	33 Å²	33	98.9 Å²	98.9	27%	0.273	57%	0.569	S	S	.	*	H	α-helix	trans	-70.7	-37.8	174	0	0	0	0	0	111.3	G18 S19 L24 W25	G18-A21 PolarHBondContact O-N 3.12Å; S19-A21 VanDerWaalsContact C-N 3.34Å; S19-A21 PolarHBondContact O-N 3.45Å; A21-L24 PolarHBondContact O-N 3.04Å; A21-W25 PolarHBondContact O-N 3.18Å
22	E	52.7	Low	52.1	Low	150 Å²	150	99.3 Å²	99.3	70%	0.701	57%	0.573	S	S	*	*	H	α-helix	trans	-69.3	-36.6	178.5	-75	-173.6	154.6	0	0	112.5	S19 W25 S26	S19-E22 PolarHBondContact O-N 3.2Å; E22-W25 PolarHBondContact O-N 3.14Å; E22-S26 PolarHBondContact O-N 3.44Å
23	E	54.1	Low	52.9	Low	135 Å²	135	100.5 Å²	100.5	63%	0.631	58%	0.577	S	S	*	*	H	α-helix	trans	-63.4	-40.8	172.1	-81.4	-174.1	156.9	0	0	112.3	S19 W25 S26 L27	S19-E23 PolarHBondContact O-N 3Å; E23-W25 VanDerWaalsContact C-N 3.35Å; E23-W25 PolarHBondContact O-N 3.29Å; E23-S26 PolarHBondContact O-N 3.28Å; E23-S26 PolarHBondContact O-OG 2.9Å; E23-L27 PolarHBondContact O-N 2.98Å
24	L	50.4	Low	53.6	Low	113 Å²	113	97 Å²	97	59%	0.592	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-37.5	174.8	-120.6	145.7	0	0	0	112.1	E20 A21 S26 L27 L28	E20-L24 PolarHBondContact O-N 3.48Å; A21-L24 PolarHBondContact O-N 3.04Å; L24-S26 VanDerWaalsContact C-N 3.35Å; L24-L27 PolarHBondContact O-N 3.36Å; L24-L28 WeakPolarHBondContact O-CD1 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å
25	W	50.6	Low	54.6	Low	102 Å²	102	96 Å²	96	39%	0.386	56%	0.56	S	S	.	*	H	α-helix	trans	-71.7	-25.1	173.8	-74.9	115.6	0	0	0	113.6	L7 A21 E22 E23 L27 L28 P29	L7-W25 HydrophobicContact CB-CH2 4.43Å; A21-W25 PolarHBondContact O-N 3.18Å; E22-W25 PolarHBondContact O-N 3.14Å; E23-W25 VanDerWaalsContact C-N 3.35Å; E23-W25 PolarHBondContact O-N 3.29Å; W25-L27 VanDerWaalsContact C-N 3.34Å; W25-L28 HydrophobicContact CD2-CD1 4.34Å; W25-L28 HydrophobicContact CE3-CD1 3.76Å; W25-L28 HydrophobicContact CZ3-CD1 4Å; W25-P29 VanDerWaalsContact O-CD 3.3Å; W25-P29 WeakPolarHBondContact O-CD 3.33Å
26	S	54.3	Low	55.7	Low	82 Å²	82	97.1 Å²	97.1	57%	0.573	55%	0.55	S	S	*	*	H	α-helix	trans	-74.8	-21.4	175.6	81.2	0	0	0	0	113.8	E22 E23 L24 P29	E22-S26 PolarHBondContact O-N 3.44Å; E23-S26 PolarHBondContact O-N 3.28Å; E23-S26 PolarHBondContact O-OG 2.9Å; L24-S26 VanDerWaalsContact C-N 3.35Å; S26-P29 VanDerWaalsContact C-CD 3.45Å; S26-P29 WeakPolarHBondContact O-CD 3.43Å
27	L	52.3	Low	56.7	Low	125 Å²	125	98.5 Å²	98.5	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-88.9	-18.3	176.9	-73.3	164.8	0	0	0	113.6	E23 L24 W25 P29 S30	E23-L27 PolarHBondContact O-N 2.98Å; L24-L27 PolarHBondContact O-N 3.36Å; W25-L27 VanDerWaalsContact C-N 3.34Å; L27-P29 VanDerWaalsContact C-CD 3.43Å; L27-S30 PolarHBondContact O-OG 3.06Å
28	L	52.2	Low	58	Low	60 Å²	60	90.9 Å²	90.9	31%	0.314	54%	0.536	S	S	.	.	S	Bend	trans	-80.6	-19.8	180	-74.1	164.8	0	0	0	117	L24 W25 S30 L31 L36	L24-L28 WeakPolarHBondContact O-CD1 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; W25-L28 HydrophobicContact CD2-CD1 4.34Å; W25-L28 HydrophobicContact CE3-CD1 3.76Å; W25-L28 HydrophobicContact CZ3-CD1 4Å; L28-S30 VanDerWaalsContact C-N 3.25Å; L28-S30 PolarHBondContact O-N 3.49Å; L28-L31 HydrophobicContact CD2-CD1 4.32Å; L28-L36 HydrophobicContact CD2-CD2 4.35Å
29	P	50.3	Low	58.7	Low	106 Å²	106	92.6 Å²	92.6	69%	0.688	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-12	-176.4	-11.3	27.8	0	0	0	114.2	W25 S26 L27	W25-P29 VanDerWaalsContact O-CD 3.3Å; W25-P29 WeakPolarHBondContact O-CD 3.33Å; S26-P29 VanDerWaalsContact C-CD 3.45Å; S26-P29 WeakPolarHBondContact O-CD 3.43Å; L27-P29 VanDerWaalsContact C-CD 3.43Å
30	S	55.5	Low	60	Low	103 Å²	103	90.1 Å²	90.1	72%	0.72	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.8	-176.8	61.2	0	0	0	0	114.3	L27 L28	L27-S30 PolarHBondContact O-OG 3.06Å; L28-S30 VanDerWaalsContact C-N 3.25Å; L28-S30 PolarHBondContact O-N 3.49Å
31	L	55.5	Low	61.3	Low	65 Å²	65	87 Å²	87	34%	0.34	52%	0.516	S	S	.	.	S	Bend	trans	-92.7	121	-179.4	-70.5	171	0	0	0	110.4	L28 L36 L39	L28-L31 HydrophobicContact CD2-CD1 4.32Å; L31-L36 HydrophobicContact CB-CG 4.32Å; L31-L39 HydrophobicContact CD1-CD1 4.01Å
32	S	70.9	Confident	62.8	Low	63 Å²	63	90.4 Å²	90.4	44%	0.441	53%	0.529	S	S	.	.			trans	-55.8	153.9	173.3	76.3	0	0	0	0	111.1	S34 S35 L36	S32-S34 PolarHBondContact O-N 3.44Å; S32-S34 VanDerWaalsContact O-N 3.09Å; S32-S35 WeakPolarHBondContact O-CA 3.45Å; S32-S35 VanDerWaalsContact O-CB 3.32Å; S32-S35 WeakPolarHBondContact O-CB 3.36Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact OG-N 3.18Å; S32-S35 VanDerWaalsContact OG-N 3.15Å; S32-S35 PolarHBondContact OG-OG 3.34Å; S32-L36 PolarHBondContact O-N 3.21Å; S32-L36 VanDerWaalsContact O-N 3.08Å
33	T	64.9	Low	64.2	Low	113 Å²	113	85.8 Å²	85.8	69%	0.693	52%	0.517	S	S	*	.	H	α-helix	trans	-53	-33.7	174.9	-29.3	0	0	0	0	111.8	L36 L37	T33-L36 PolarHBondContact O-N 2.77Å; T33-L37 WeakPolarHBondContact O-CB 3.26Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 3.22Å
34	S	64.5	Low	65.3	Low	92 Å²	92	83.3 Å²	83.3	64%	0.643	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-37.6	174.2	-50.7	0	0	0	0	112.9	S32 G38	S32-S34 PolarHBondContact O-N 3.44Å; S32-S34 VanDerWaalsContact O-N 3.09Å; S34-G38 PolarHBondContact O-N 3.08Å
35	S	69.3	Low	66.9	Low	48 Å²	48	84.2 Å²	84.2	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-39.9	176.2	-52.3	0	0	0	0	111.7	S32 G38 L39	S32-S35 WeakPolarHBondContact O-CA 3.45Å; S32-S35 VanDerWaalsContact O-CB 3.32Å; S32-S35 WeakPolarHBondContact O-CB 3.36Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact OG-N 3.18Å; S32-S35 VanDerWaalsContact OG-N 3.15Å; S32-S35 PolarHBondContact OG-OG 3.34Å; S35-G38 PolarHBondContact O-N 2.78Å; S35-L39 WeakPolarHBondContact O-CG 3.4Å; S35-L39 PolarHBondContact O-N 3.3Å
36	L	66.9	Low	68.2	Low	85 Å²	85	82.2 Å²	82.2	45%	0.445	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-41.1	174.8	-73.6	167	0	0	0	112.1	L28 L31 S32 T33 G38 L39 G40	L28-L36 HydrophobicContact CD2-CD2 4.35Å; L31-L36 HydrophobicContact CB-CG 4.32Å; S32-L36 PolarHBondContact O-N 3.21Å; S32-L36 VanDerWaalsContact O-N 3.08Å; T33-L36 PolarHBondContact O-N 2.77Å; L36-G38 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 3.34Å; L36-G40 PolarHBondContact O-N 2.8Å
37	L	67.7	Low	69.5	Low	126 Å²	126	82.2 Å²	82.2	66%	0.66	51%	0.509	S	S	*	.	H	α-helix	trans	-63.5	-40.1	172.2	-74.4	168.4	0	0	0	111.8	T33 G40 A41	T33-L37 WeakPolarHBondContact O-CB 3.26Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 3.22Å; L37-G40 PolarHBondContact O-N 3.38Å; L37-A41 VanDerWaalsContact O-CB 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.44Å; L37-A41 PolarHBondContact O-N 2.93Å
38	G	74	Confident	70.8	Confident	40 Å²	40	83.5 Å²	83.5	41%	0.412	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-43.6	175	0	0	0	0	0	113	S34 S35 L36 A41 L42	S34-G38 PolarHBondContact O-N 3.08Å; S35-G38 PolarHBondContact O-N 2.78Å; L36-G38 VanDerWaalsContact C-N 3.35Å; G38-A41 PolarHBondContact O-N 2.92Å; G38-L42 WeakPolarHBondContact O-CB 3.27Å; G38-L42 PolarHBondContact O-N 3.25Å
39	L	76.7	Confident	72.2	Confident	90 Å²	90	86.9 Å²	86.9	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-41.1	175	-74.2	169.5	0	0	0	112	L31 S35 L36 L42 A43	L31-L39 HydrophobicContact CD1-CD1 4.01Å; S35-L39 WeakPolarHBondContact O-CG 3.4Å; S35-L39 PolarHBondContact O-N 3.3Å; L36-L39 PolarHBondContact O-N 3.34Å; L39-L42 PolarHBondContact O-N 3.28Å; L39-A43 VanDerWaalsContact O-CB 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.14Å
40	G	76.9	Confident	73.5	Confident	35 Å²	35	85.4 Å²	85.4	36%	0.361	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-40.6	175	0	0	0	0	0	112.9	L36 L37 S44	L36-G40 PolarHBondContact O-N 2.8Å; L37-G40 PolarHBondContact O-N 3.38Å; G40-S44 VanDerWaalsContact O-CB 3.28Å; G40-S44 WeakPolarHBondContact O-CB 3.36Å; G40-S44 PolarHBondContact O-N 2.84Å; G40-S44 PolarHBondContact O-OG 3.41Å
41	A	77.8	Confident	74.7	Confident	61 Å²	61	86.5 Å²	86.5	50%	0.504	50%	0.498	S	S	.	.	H	α-helix	trans	-66.6	-43.2	174.8	0	0	0	0	0	111.8	L37 G38 S44 F45	L37-A41 VanDerWaalsContact O-CB 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.44Å; L37-A41 PolarHBondContact O-N 2.93Å; G38-A41 PolarHBondContact O-N 2.92Å; A41-S44 PolarHBondContact O-N 2.96Å; A41-F45 VanDerWaalsContact O-CB 3.28Å; A41-F45 WeakPolarHBondContact O-CB 3.36Å; A41-F45 PolarHBondContact O-N 3.46Å
42	L	80.9	Confident	75.7	Confident	104 Å²	104	86.8 Å²	86.8	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-47.6	175.3	-177	65.5	0	0	0	111.1	G38 L39 S44 F45 T46	G38-L42 WeakPolarHBondContact O-CB 3.27Å; G38-L42 PolarHBondContact O-N 3.25Å; L39-L42 PolarHBondContact O-N 3.28Å; L42-S44 PolarHBondContact O-N 3.4Å; L42-F45 PolarHBondContact O-N 3.37Å; L42-T46 WeakPolarHBondContact O-CB 3.45Å; L42-T46 PolarHBondContact O-N 2.99Å; L42-T46 PolarHBondContact O-OG1 3.24Å
43	A	82	Confident	76.2	Confident	54 Å²	54	89.4 Å²	89.4	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-43.8	177.5	0	0	0	0	0	111.7	L39 T46 V47	L39-A43 VanDerWaalsContact O-CB 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.14Å; A43-T46 PolarHBondContact O-N 2.75Å; A43-V47 WeakPolarHBondContact O-CB 3.42Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.43Å; A43-V47 PolarHBondContact O-N 3.43Å
44	S	78.4	Confident	77	Confident	82 Å²	82	86.3 Å²	86.3	57%	0.573	48%	0.484	S	S	*	.	H	α-helix	trans	-63.7	-41.5	176.2	-59.1	0	0	0	0	111.8	G40 A41 L42 Y48	G40-S44 VanDerWaalsContact O-CB 3.28Å; G40-S44 WeakPolarHBondContact O-CB 3.36Å; G40-S44 PolarHBondContact O-N 2.84Å; G40-S44 PolarHBondContact O-OG 3.41Å; A41-S44 PolarHBondContact O-N 2.96Å; L42-S44 PolarHBondContact O-N 3.4Å; S44-Y48 WeakPolarHBondContact O-CB 3.42Å; S44-Y48 PolarHBondContact O-N 3.42Å
45	F	82.9	Confident	77.9	Confident	133 Å²	133	91 Å²	91	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-65.3	-42.2	174.7	-179.2	-96	0	0	0	111.8	A41 L42 Y48 W49	A41-F45 VanDerWaalsContact O-CB 3.28Å; A41-F45 WeakPolarHBondContact O-CB 3.36Å; A41-F45 PolarHBondContact O-N 3.46Å; L42-F45 PolarHBondContact O-N 3.37Å; F45-Y48 PolarHBondContact O-N 3.48Å; F45-W49 WeakPolarHBondContact O-CB 3.42Å; F45-W49 PolarHBondContact O-N 2.98Å
46	T	78.5	Confident	78.8	Confident	60 Å²	60	92.6 Å²	92.6	37%	0.368	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-44.1	176.6	-60.3	0	0	0	0	111.2	L42 A43 W49 L50	L42-T46 WeakPolarHBondContact O-CB 3.45Å; L42-T46 PolarHBondContact O-N 2.99Å; L42-T46 PolarHBondContact O-OG1 3.24Å; A43-T46 PolarHBondContact O-N 2.75Å; T46-W49 PolarHBondContact O-N 2.78Å; T46-L50 HydrophobicContact CG2-CD1 4.02Å; T46-L50 HydrophobicContact CG2-CG 4.39Å; T46-L50 WeakPolarHBondContact O-CB 3.32Å; T46-L50 VanDerWaalsContact O-CG 3.25Å; T46-L50 WeakPolarHBondContact O-CG 3.14Å; T46-L50 PolarHBondContact O-N 3.48Å
47	V	81.8	Confident	79.7	Confident	81 Å²	81	90.1 Å²	90.1	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-47.8	175.3	170.7	0	0	0	0	110.3	A43 W49 L50 L51	A43-V47 WeakPolarHBondContact O-CB 3.42Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.43Å; A43-V47 PolarHBondContact O-N 3.43Å; V47-W49 VanDerWaalsContact C-N 3.31Å; V47-W49 PolarHBondContact O-N 2.69Å; V47-L50 PolarHBondContact O-N 2.82Å; V47-L51 HydrophobicContact CG1-CD1 3.73Å; V47-L51 HydrophobicContact CG1-CG 4.28Å; V47-L51 WeakPolarHBondContact O-CB 3.38Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.21Å; V47-L51 PolarHBondContact O-N 3.36Å
48	Y	78.9	Confident	80.7	Confident	152 Å²	152	94.4 Å²	94.4	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-56.8	-46.1	175	179.6	-97.3	0	0	0	111.3	S44 F45 L51 T52	S44-Y48 WeakPolarHBondContact O-CB 3.42Å; S44-Y48 PolarHBondContact O-N 3.42Å; F45-Y48 PolarHBondContact O-N 3.48Å; Y48-L51 PolarHBondContact O-N 2.95Å; Y48-T52 HydrophobicContact CD1-CG2 4.43Å; Y48-T52 HydrophobicContact CD2-CG2 4.02Å; Y48-T52 HydrophobicContact CE1-CG2 4.15Å; Y48-T52 HydrophobicContact CE2-CG2 3.72Å; Y48-T52 HydrophobicContact CG-CG2 4.38Å; Y48-T52 VanDerWaalsContact O-CB 3.3Å; Y48-T52 WeakPolarHBondContact O-CB 3.37Å; Y48-T52 VanDerWaalsContact O-CG2 3.31Å; Y48-T52 WeakPolarHBondContact O-CG2 3.42Å; Y48-T52 PolarHBondContact O-N 3.08Å; Y48-T52 PolarHBondContact O-OG1 2.67Å
49	W	81.8	Confident	81.5	Confident	131 Å²	131	94.5 Å²	94.5	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-64.4	-42.2	176.7	-178.4	83.5	0	0	0	112.2	F45 T46 V47 L51 T52 R53	F45-W49 WeakPolarHBondContact O-CB 3.42Å; F45-W49 PolarHBondContact O-N 2.98Å; T46-W49 PolarHBondContact O-N 2.78Å; V47-W49 VanDerWaalsContact C-N 3.31Å; V47-W49 PolarHBondContact O-N 2.69Å; W49-L51 VanDerWaalsContact C-N 3.31Å; W49-L51 PolarHBondContact O-N 2.74Å; W49-T52 PolarHBondContact O-N 2.9Å; W49-R53 WeakPolarHBondContact O-CA 3.44Å; W49-R53 WeakPolarHBondContact O-CB 3.3Å; W49-R53 WeakPolarHBondContact O-CG 3.35Å; W49-R53 PolarHBondContact O-N 3.4Å
50	L	78.7	Confident	82.1	Confident	75 Å²	75	92 Å²	92	39%	0.393	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-34.8	176.2	-75.5	172.1	0	0	0	112.5	T46 V47	T46-L50 HydrophobicContact CG2-CD1 4.02Å; T46-L50 HydrophobicContact CG2-CG 4.39Å; T46-L50 WeakPolarHBondContact O-CB 3.32Å; T46-L50 VanDerWaalsContact O-CG 3.25Å; T46-L50 WeakPolarHBondContact O-CG 3.14Å; T46-L50 PolarHBondContact O-N 3.48Å; V47-L50 PolarHBondContact O-N 2.82Å
51	L	79.6	Confident	82.9	Confident	126 Å²	126	91.6 Å²	91.6	66%	0.66	47%	0.467	S	S	*	.	H	α-helix	trans	-78.1	-33.8	177.7	-68.7	174.5	0	0	0	112.8	V47 Y48 W49	V47-L51 HydrophobicContact CG1-CD1 3.73Å; V47-L51 HydrophobicContact CG1-CG 4.28Å; V47-L51 WeakPolarHBondContact O-CB 3.38Å; V47-L51 VanDerWaalsContact O-CG 3.24Å; V47-L51 WeakPolarHBondContact O-CG 3.21Å; V47-L51 PolarHBondContact O-N 3.36Å; Y48-L51 PolarHBondContact O-N 2.95Å; W49-L51 VanDerWaalsContact C-N 3.31Å; W49-L51 PolarHBondContact O-N 2.74Å
52	T	76.6	Confident	83.7	Confident	71 Å²	71	93.6 Å²	93.6	44%	0.436	47%	0.469	S	S	.	.	H	α-helix	trans	-104.3	-7.6	-173.9	62.1	0	0	0	0	114.3	Y48 W49	Y48-T52 HydrophobicContact CD1-CG2 4.43Å; Y48-T52 HydrophobicContact CD2-CG2 4.02Å; Y48-T52 HydrophobicContact CE1-CG2 4.15Å; Y48-T52 HydrophobicContact CE2-CG2 3.72Å; Y48-T52 HydrophobicContact CG-CG2 4.38Å; Y48-T52 VanDerWaalsContact O-CB 3.3Å; Y48-T52 WeakPolarHBondContact O-CB 3.37Å; Y48-T52 VanDerWaalsContact O-CG2 3.31Å; Y48-T52 WeakPolarHBondContact O-CG2 3.42Å; Y48-T52 PolarHBondContact O-N 3.08Å; Y48-T52 PolarHBondContact O-OG1 2.67Å; W49-T52 PolarHBondContact O-N 2.9Å
53	R	80.4	Confident	84.4	Confident	119 Å²	119	90.3 Å²	90.3	45%	0.449	45%	0.452	S	S	.	.	S	Bend	trans	-60.9	139.1	177.9	64.6	-176.6	-173.3	174.6	4.1	110	W49 R55	W49-R53 WeakPolarHBondContact O-CA 3.44Å; W49-R53 WeakPolarHBondContact O-CB 3.3Å; W49-R53 WeakPolarHBondContact O-CG 3.35Å; W49-R53 PolarHBondContact O-N 3.4Å; R53-R55 PolarHBondContact O-N 2.84Å
54	P	82.9	Confident	85	Confident	47 Å²	47	94.3 Å²	94.3	31%	0.305	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-61.3	136.2	176.3	27.3	-35.2	0	0	0	109.8	I407	P54-I407 HydrophobicContact CB-CD1 4.44Å; P54-I407 HydrophobicContact CB-CG1 4.46Å; P54-I407 HydrophobicContact CB-CG2 3.62Å; P54-I407 HydrophobicContact CG-CD1 4.13Å; P54-I407 HydrophobicContact CG-CG2 4.08Å
55	R	84.1	Confident	85.8	Confident	191 Å²	191	92.7 Å²	92.7	72%	0.721	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-96.5	137.1	178	-64.8	-175.5	-177.2	-177.1	0.4	109.6	R53	R53-R55 PolarHBondContact O-N 2.84Å
56	P	87.3	Confident	86.5	Confident	82 Å²	82	86.3 Å²	86.3	53%	0.532	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-56	138.5	167.7	-26	36.1	0	0	0	110.9	R58 R405 G406 I407	P56-R58 PolarHBondContact O-N 3.12Å; P56-R405 VanDerWaalsContact CB-O 3.24Å; P56-R405 WeakPolarHBondContact CB-O 3.31Å; P56-R405 VanDerWaalsContact CG-O 3.3Å; P56-R405 WeakPolarHBondContact CG-O 3.43Å; P56-G406 CarbonylContact C-O 3.52Å; P56-G406 WeakPolarHBondContact CA-O 3.29Å; P56-I407 HydrophobicContact CG-CG1 4.26Å
57	V	86.9	Confident	87.4	Confident	32 Å²	32	83.6 Å²	83.6	19%	0.194	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-64.8	132.5	163.3	-175.5	0	0	0	0	107.2	P59 G406 I474	V57-P59 VanDerWaalsContact O-CD 3.29Å; V57-P59 WeakPolarHBondContact O-CD 3.35Å; V57-G406 PolarHBondContact N-O 2.76Å; V57-I474 HydrophobicContact CB-CG2 4.36Å; V57-I474 HydrophobicContact CG1-CG2 3.62Å
58	R	87.1	Confident	88.1	Confident	216 Å²	216	82.6 Å²	82.6	82%	0.815	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-80	116.7	177.2	-173	177.9	-176.3	174.8	1.2	108.1	P56 S309	P56-R58 PolarHBondContact O-N 3.12Å; R58-S309 PolarHBondContact O-OG 2.9Å
59	P	90.4	Very high	89	Confident	42 Å²	42	76.8 Å²	76.8	27%	0.273	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.4	150.2	175.9	-21.5	34.6	0	0	0	111	V57 C61 L63	V57-P59 VanDerWaalsContact O-CD 3.29Å; V57-P59 WeakPolarHBondContact O-CD 3.35Å; P59-C61 WeakPolarHBondContact CB-O 3.46Å; P59-C61 PolarHBondContact O-N 2.92Å; P59-L63 HydrophobicContact CB-CD1 4.2Å; P59-L63 HydrophobicContact CB-CD2 3.78Å; P59-L63 HydrophobicContact CB-CG 3.83Å; P59-L63 HydrophobicContact CG-CD1 3.75Å; P59-L63 HydrophobicContact CG-CD2 4.27Å; P59-L63 HydrophobicContact CG-CG 3.89Å
60	P	90.8	Very high	89.6	Confident	37 Å²	37	70.9 Å²	70.9	24%	0.24	36%	0.364	C	S	.	.	S	Bend	trans	-71.8	-18.4	-176.6	30.3	-36.1	0	0	0	112.9	L81 L473	P60-L81 HydrophobicContact CB-CD1 4.47Å; P60-L81 HydrophobicContact CB-CD2 3.79Å; P60-L81 HydrophobicContact CG-CD2 4.34Å; P60-L81 WeakPolarHBondContact O-CD2 3.38Å; P60-L473 HydrophobicContact CG-CB 4.28Å; P60-L473 HydrophobicContact CG-CD1 4.2Å; P60-L473 HydrophobicContact CG-CD2 4.01Å; P60-L473 HydrophobicContact CG-CG 4.4Å
61	C	93.7	Very high	90.1	Very high	27 Å²	27	74.4 Å²	74.4	18%	0.182	38%	0.383	C	S	.	.	S	Bend	trans	-149.1	-178.5	171	68.3	0	0	0	0	111	P59 L63 A80 L81 L473	P59-C61 WeakPolarHBondContact CB-O 3.46Å; P59-C61 PolarHBondContact O-N 2.92Å; C61-L63 PolarHBondContact O-N 3.36Å; C61-A80 HydrophobicContact CB-CB 4.34Å; C61-L81 HydrophobicContact CB-CD2 3.85Å; C61-L473 WeakPolarHBondContact SG-CD1 3.41Å
62	D	94.9	Very high	90.4	Very high	103 Å²	103	71.5 Å²	71.5	55%	0.551	38%	0.384	S	S	*	.			trans	-62.6	123.6	170.1	-175.7	-1.9	0	0	0	110.4	Q64 A65 Q66	D62-Q64 PolarHBondContact O-N 3.37Å; D62-Q64 PolarHBondContact OD1-N 3.05Å; D62-A65 HydrophobicContact CB-CB 4.44Å; D62-A65 CarbonylContact O-C 3.6Å; D62-A65 VanDerWaalsContact O-C 3.26Å; D62-A65 PolarHBondContact O-N 3.41Å; D62-A65 VanDerWaalsContact O-N 3.07Å; D62-Q66 PolarHBondContact O-N 2.81Å
63	L	94.5	Very high	91.2	Very high	35 Å²	35	71.1 Å²	71.1	18%	0.183	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14	-178.9	-66.3	-178.7	0	0	0	113.4	P59 C61 Q66 L473 G475 D476 N549	P59-L63 HydrophobicContact CB-CD1 4.2Å; P59-L63 HydrophobicContact CB-CD2 3.78Å; P59-L63 HydrophobicContact CB-CG 3.83Å; P59-L63 HydrophobicContact CG-CD1 3.75Å; P59-L63 HydrophobicContact CG-CD2 4.27Å; P59-L63 HydrophobicContact CG-CG 3.89Å; C61-L63 PolarHBondContact O-N 3.36Å; L63-Q66 WeakPolarHBondContact O-CG 3.34Å; L63-Q66 PolarHBondContact O-NE2 3.18Å; L63-L473 HydrophobicContact CD2-CB 4.33Å; L63-G475 WeakPolarHBondContact CD1-O 3.4Å; L63-D476 HydrophobicContact CD1-CB 4.49Å; L63-D476 HydrophobicContact CD2-CB 3.96Å; L63-N549 WeakPolarHBondContact O-CB 3.11Å
64	Q	95.3	Very high	91.7	Very high	139 Å²	139	69.8 Å²	69.8	65%	0.65	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.2	171.7	-59	-55.1	-52	0	0	113.1	D62 N549	D62-Q64 PolarHBondContact O-N 3.37Å; D62-Q64 PolarHBondContact OD1-N 3.05Å; Q64-N549 WeakPolarHBondContact O-CA 3.37Å
65	A	95.6	Very high	92.2	Very high	47 Å²	47	68 Å²	68	39%	0.388	38%	0.375	S	S	.	.			trans	-145.8	59.6	-179.6	0	0	0	0	0	110.7	D62 S67 A80	D62-A65 HydrophobicContact CB-CB 4.44Å; D62-A65 CarbonylContact O-C 3.6Å; D62-A65 VanDerWaalsContact O-C 3.26Å; D62-A65 PolarHBondContact O-N 3.41Å; D62-A65 VanDerWaalsContact O-N 3.07Å; A65-S67 VanDerWaalsContact C-N 3.26Å; A65-S67 PolarHBondContact O-N 3.42Å; A65-A80 VanDerWaalsContact O-CB 3.32Å; A65-A80 WeakPolarHBondContact O-CB 3.28Å
66	Q	97.1	Very high	92.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.343	C	S	.	.			trans	-75.8	-12.6	-171.2	-58.7	-174.2	38.2	0	0	114.2	D62 L63 A80 L473 D476 A484 N549 T551	D62-Q66 PolarHBondContact O-N 2.81Å; L63-Q66 WeakPolarHBondContact O-CG 3.34Å; L63-Q66 PolarHBondContact O-NE2 3.18Å; Q66-A80 WeakPolarHBondContact O-CB 3.5Å; Q66-A80 PolarHBondContact O-N 3.22Å; Q66-L473 HydrophobicContact CB-CD1 3.93Å; Q66-L473 HydrophobicContact CG-CD1 3.82Å; Q66-D476 PolarHBondContact NE2-OD2 3.49Å; Q66-A484 HydrophobicContact CB-CB 3.85Å; Q66-A484 WeakPolarHBondContact O-CB 3.23Å; Q66-N549 PolarHBondContact N-O 3.13Å; Q66-T551 HydrophobicContact CB-CG2 4.29Å; Q66-T551 VanDerWaalsContact CD-CG2 3.43Å; Q66-T551 HydrophobicContact CG-CG2 4.29Å
67	S	97.4	Very high	93.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.1	175.7	61.4	0	0	0	0	110.8	A65 R77 R78 G550	A65-S67 VanDerWaalsContact C-N 3.26Å; A65-S67 PolarHBondContact O-N 3.42Å; S67-R77 PolarHBondContact O-NH2 2.87Å; S67-R77 PolarHBondContact OG-NE 3.49Å; S67-R77 PolarHBondContact OG-NH2 2.91Å; S67-R78 CarbonylContact C-O 3.54Å; S67-R78 WeakPolarHBondContact CA-O 3.48Å; S67-R78 WeakPolarHBondContact CB-O 3.49Å; S67-G550 VanDerWaalsContact CB-O 3.31Å; S67-G550 WeakPolarHBondContact CB-O 3.48Å; S67-G550 VanDerWaalsContact OG-C 3.23Å; S67-G550 WeakPolarHBondContact OG-CA 3.37Å; S67-G550 PolarHBondContact OG-O 3.33Å
68	V	97	Very high	93.8	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.358	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.7	-175.8	-177.9	0	0	0	0	109	R77 R78 A80	V68-R77 CarbonylContact O-C 3.59Å; V68-R77 WeakPolarHBondContact O-CA 3.36Å; V68-R78 PolarHBondContact N-O 3.24Å; V68-R78 PolarHBondContact O-N 3.06Å; V68-A80 HydrophobicContact CG2-CB 4.07Å
69	A	96.2	Very high	94.3	Very high	31 Å²	31	46.6 Å²	46.6	26%	0.256	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134	173.9	0	0	0	0	0	110.3	D73 C76	A69-D73 WeakPolarHBondContact CB-O 3.32Å; A69-C76 CarbonylContact C-O 3.57Å; A69-C76 WeakPolarHBondContact CA-O 3.38Å
70	V	95.1	Very high	94.7	Very high	6 Å²	6	46 Å²	46	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.2	177.6	176.6	0	0	0	0	108.3	G72 D73 C76 R78 D85 M490	V70-G72 PolarHBondContact O-N 2.6Å; V70-D73 PolarHBondContact O-N 3.07Å; V70-C76 HydrophobicContact CB-CB 4.35Å; V70-C76 PolarHBondContact N-O 3.27Å; V70-R78 HydrophobicContact CG2-CB 3.93Å; V70-R78 HydrophobicContact CG2-CG 3.86Å; V70-D85 WeakPolarHBondContact CG1-OD2 3.27Å; V70-M490 HydrophobicContact CG1-CE 4.09Å; V70-M490 HydrophobicContact CG1-SD 4.01Å; V70-M490 HydrophobicContact CG2-CE 4.46Å; V70-M490 HydrophobicContact CG2-CG 4.21Å; V70-M490 HydrophobicContact CG2-SD 4.28Å
71	D	89.8	Confident	94.9	Very high	150 Å²	150	45.6 Å²	45.6	80%	0.802	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	25.9	-179.5	-62.4	-46.1	0	0	0	115.1	D73 D85	D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.96Å; D71-D85 PolarHBondContact N-OD2 3.19Å
72	G	86.4	Confident	95	Very high	65 Å²	65	45.4 Å²	45.4	67%	0.67	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	1.3	-176.6	0	0	0	0	0	115.7	V70 P74	V70-G72 PolarHBondContact O-N 2.6Å; G72-P74 VanDerWaalsContact O-CD 3.3Å; G72-P74 WeakPolarHBondContact O-CD 3.39Å
73	D	92.3	Very high	94.8	Very high	62 Å²	62	50.4 Å²	50.4	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	110.7	173.9	178.7	-1.5	0	0	0	110.2	A69 V70 D71 S75 C76	A69-D73 WeakPolarHBondContact CB-O 3.32Å; V70-D73 PolarHBondContact O-N 3.07Å; D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.96Å; D73-S75 PolarHBondContact O-N 2.63Å; D73-S75 VanDerWaalsContact OD1-CB 3.29Å; D73-S75 WeakPolarHBondContact OD1-CB 3.45Å; D73-S75 PolarHBondContact OD1-N 2.92Å; D73-S75 PolarHBondContact OD1-OG 3.1Å; D73-S75 PolarHBondContact OD2-OG 2.97Å; D73-C76 HydrophobicContact CB-CB 4.17Å; D73-C76 PolarHBondContact O-N 3.01Å
74	P	90.6	Very high	94.7	Very high	92 Å²	92	52.4 Å²	52.4	60%	0.597	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-18.9	-178	29.2	-35.5	0	0	0	113.5	G72	G72-P74 VanDerWaalsContact O-CD 3.3Å; G72-P74 WeakPolarHBondContact O-CD 3.39Å
75	S	94.3	Very high	94.5	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-23.4	177.6	77.8	0	0	0	0	112.7	D73 K492 V493 W546	D73-S75 PolarHBondContact O-N 2.63Å; D73-S75 VanDerWaalsContact OD1-CB 3.29Å; D73-S75 WeakPolarHBondContact OD1-CB 3.45Å; D73-S75 PolarHBondContact OD1-N 2.92Å; D73-S75 PolarHBondContact OD1-OG 3.1Å; D73-S75 PolarHBondContact OD2-OG 2.97Å; S75-K492 CarbonylContact O-C 3.51Å; S75-K492 VanDerWaalsContact O-CA 3.31Å; S75-K492 WeakPolarHBondContact O-CA 3.24Å; S75-V493 PolarHBondContact O-N 2.69Å; S75-W546 PolarHBondContact O-NE1 3.17Å
76	C	97.3	Very high	94.5	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.054	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.8	-177.8	-172.3	0	0	0	0	110.7	A69 V70 D73 V491 K492 W537	A69-C76 CarbonylContact C-O 3.57Å; A69-C76 WeakPolarHBondContact CA-O 3.38Å; V70-C76 HydrophobicContact CB-CB 4.35Å; V70-C76 PolarHBondContact N-O 3.27Å; D73-C76 HydrophobicContact CB-CB 4.17Å; D73-C76 PolarHBondContact O-N 3.01Å; C76-V491 CarbonylContact C-O 3.57Å; C76-V491 WeakPolarHBondContact CA-O 3.46Å; C76-K492 HydrophobicContact CB-CB 4.23Å; C76-K492 HydrophobicContact CB-CG 4.28Å; C76-W537 VanDerWaalsContact SG-CH2 3.52Å
77	R	97.9	Very high	94.5	Very high	45 Å²	45	52.9 Å²	52.9	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.5	-172.9	-51.3	-174.4	73.7	92.1	-3	112.4	S67 V68 V491 W546	S67-R77 PolarHBondContact O-NH2 2.87Å; S67-R77 PolarHBondContact OG-NE 3.49Å; S67-R77 PolarHBondContact OG-NH2 2.91Å; V68-R77 CarbonylContact O-C 3.59Å; V68-R77 WeakPolarHBondContact O-CA 3.36Å; R77-V491 PolarHBondContact N-O 3Å; R77-V491 PolarHBondContact O-N 3.34Å; R77-W546 HydrophobicContact CB-CH2 3.89Å; R77-W546 HydrophobicContact CB-CZ2 3.74Å; R77-W546 HydrophobicContact CB-CZ3 4.43Å; R77-W546 VanDerWaalsContact CD-CE2 3.49Å; R77-W546 HydrophobicContact CG-CD2 4.16Å; R77-W546 HydrophobicContact CG-CH2 4.31Å; R77-W546 HydrophobicContact CG-CZ2 3.85Å
78	R	97.3	Very high	94.5	Very high	17 Å²	17	54.4 Å²	54.4	6%	0.064	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	169.5	172.6	62.8	167.5	173.1	91.3	-14.2	111	S67 V68 V70 A80 L82 D84 D85	S67-R78 CarbonylContact C-O 3.54Å; S67-R78 WeakPolarHBondContact CA-O 3.48Å; S67-R78 WeakPolarHBondContact CB-O 3.49Å; V68-R78 PolarHBondContact N-O 3.24Å; V68-R78 PolarHBondContact O-N 3.06Å; V70-R78 HydrophobicContact CG2-CB 3.93Å; V70-R78 HydrophobicContact CG2-CG 3.86Å; R78-A80 PolarHBondContact O-N 2.93Å; R78-L82 HydrophobicContact CB-CD1 4.4Å; R78-L82 PolarHBondContact NH1-O 3.42Å; R78-D84 WeakPolarHBondContact CD-O 3.18Å; R78-D84 VanDerWaalsContact CZ-C 3.41Å; R78-D84 PolarHBondContact NE-O 3.29Å; R78-D84 PolarHBondContact NH1-O 3.02Å; R78-D84 VanDerWaalsContact NH2-C 3.35Å; R78-D84 PolarHBondContact NH2-O 3.49Å; R78-D85 IonicContact CZ-OD1 2.74Å; R78-D85 IonicContact NE-OD1 2.69Å; R78-D85 PolarHBondContact NE-OD1 2.97Å; R78-D85 IonicContact NH2-OD1 3.86Å; R78-D85 PolarHBondContact NH2-OD1 3.44Å
79	S	97.6	Very high	94.4	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.4	176.5	-164.5	0	0	0	0	112.2	L81 L82 P485	S79-L81 PolarHBondContact O-N 2.94Å; S79-L81 PolarHBondContact OG-N 2.92Å; S79-L82 PolarHBondContact O-N 2.88Å; S79-P485 VanDerWaalsContact CB-O 3.23Å; S79-P485 WeakPolarHBondContact CB-O 3.39Å; S79-P485 PolarHBondContact OG-O 3.01Å
80	A	97	Very high	94.4	Very high	28 Å²	28	58.4 Å²	58.4	23%	0.231	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.9	171.2	0	0	0	0	0	113.3	C61 A65 Q66 V68 R78 L82	C61-A80 HydrophobicContact CB-CB 4.34Å; A65-A80 VanDerWaalsContact O-CB 3.32Å; A65-A80 WeakPolarHBondContact O-CB 3.28Å; Q66-A80 WeakPolarHBondContact O-CB 3.5Å; Q66-A80 PolarHBondContact O-N 3.22Å; V68-A80 HydrophobicContact CG2-CB 4.07Å; R78-A80 PolarHBondContact O-N 2.93Å; A80-L82 PolarHBondContact O-N 3.06Å
81	L	96.3	Very high	94.4	Very high	30 Å²	30	61.2 Å²	61.2	16%	0.157	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12	175.6	-54.5	-178.3	0	0	0	113.1	P60 C61 S79 K304 I305 P487	P60-L81 HydrophobicContact CB-CD1 4.47Å; P60-L81 HydrophobicContact CB-CD2 3.79Å; P60-L81 HydrophobicContact CG-CD2 4.34Å; P60-L81 WeakPolarHBondContact O-CD2 3.38Å; C61-L81 HydrophobicContact CB-CD2 3.85Å; S79-L81 PolarHBondContact O-N 2.94Å; S79-L81 PolarHBondContact OG-N 2.92Å; L81-K304 HydrophobicContact CB-CG 4.49Å; L81-K304 HydrophobicContact CD1-CG 4.42Å; L81-I305 HydrophobicContact CD1-CB 4.36Å; L81-I305 HydrophobicContact CD1-CG1 3.67Å; L81-P487 HydrophobicContact CB-CG 4.46Å; L81-P487 HydrophobicContact CD1-CG 4.41Å
82	L	95.8	Very high	94.7	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.12	30%	0.298	C	S	.	.	S	Bend	trans	-88.9	139.1	175.7	-61.5	172.9	0	0	0	110.4	R78 S79 A80 D84 L87 L88 P487	R78-L82 HydrophobicContact CB-CD1 4.4Å; R78-L82 PolarHBondContact NH1-O 3.42Å; S79-L82 PolarHBondContact O-N 2.88Å; A80-L82 PolarHBondContact O-N 3.06Å; L82-D84 VanDerWaalsContact C-N 3.34Å; L82-D84 WeakPolarHBondContact CB-O 3.47Å; L82-L87 HydrophobicContact CD1-CD2 3.96Å; L82-L88 HydrophobicContact CD2-CB 4.29Å; L82-P487 WeakPolarHBondContact CD1-O 3.21Å; L82-P487 HydrophobicContact CD2-CB 3.92Å; L82-P487 HydrophobicContact CG-CB 4.3Å
83	K	91.3	Very high	94.9	Very high	208 Å²	208	59.3 Å²	59.3	90%	0.904	30%	0.298	S	S	*	.	S	Bend	trans	-72	-32.3	178	-65.9	-179.1	-179.7	176.4	0	112.2
84	D	92.1	Very high	94.9	Very high	76 Å²	76	60 Å²	60	41%	0.406	30%	0.302	S	S	.	.	S	Bend	trans	-144.7	-168.9	-176.7	55.4	36	0	0	0	109.4	R78 L82 N86	R78-D84 WeakPolarHBondContact CD-O 3.18Å; R78-D84 VanDerWaalsContact CZ-C 3.41Å; R78-D84 PolarHBondContact NE-O 3.29Å; R78-D84 PolarHBondContact NH1-O 3.02Å; R78-D84 VanDerWaalsContact NH2-C 3.35Å; R78-D84 PolarHBondContact NH2-O 3.49Å; L82-D84 VanDerWaalsContact C-N 3.34Å; L82-D84 WeakPolarHBondContact CB-O 3.47Å; D84-N86 PolarHBondContact O-N 2.93Å; D84-N86 WeakPolarHBondContact OD1-CB 3.44Å; D84-N86 PolarHBondContact OD1-N 3.21Å; D84-N86 PolarHBondContact OD1-ND2 3.4Å; D84-N86 PolarHBondContact OD2-ND2 2.87Å; D84-N86 VanDerWaalsContact OD2-ND2 3.13Å
85	D	91.4	Very high	95.2	Very high	49 Å²	49	55.9 Å²	55.9	26%	0.262	28%	0.275	S	S	.	.	S	Bend	trans	-83.5	5.6	-175.5	-64.3	12.6	0	0	0	112.3	V70 D71 R78 L87 M490	V70-D85 WeakPolarHBondContact CG1-OD2 3.27Å; D71-D85 PolarHBondContact N-OD2 3.19Å; R78-D85 IonicContact CZ-OD1 2.74Å; R78-D85 IonicContact NE-OD1 2.69Å; R78-D85 PolarHBondContact NE-OD1 2.97Å; R78-D85 IonicContact NH2-OD1 3.86Å; R78-D85 PolarHBondContact NH2-OD1 3.44Å; D85-L87 PolarHBondContact O-N 2.98Å; D85-M490 HydrophobicContact CB-CE 4.19Å; D85-M490 WeakPolarHBondContact O-CE 3.48Å
86	N	94.3	Very high	95.3	Very high	113 Å²	113	60.7 Å²	60.7	60%	0.604	29%	0.292	S	S	*	.			trans	-76.2	120.7	172.5	-58.5	-56.3	0	0	0	110.2	D84	D84-N86 PolarHBondContact O-N 2.93Å; D84-N86 WeakPolarHBondContact OD1-CB 3.44Å; D84-N86 PolarHBondContact OD1-N 3.21Å; D84-N86 PolarHBondContact OD1-ND2 3.4Å; D84-N86 PolarHBondContact OD2-ND2 2.87Å; D84-N86 VanDerWaalsContact OD2-ND2 3.13Å
87	L	97.2	Very high	95.3	Very high	35 Å²	35	60.4 Å²	60.4	18%	0.183	29%	0.29	C	S	.	.			trans	-75.6	148.6	179.7	-62	179	0	0	0	111.6	L82 D85 E89 P487 M490 G514 P515	L82-L87 HydrophobicContact CD1-CD2 3.96Å; D85-L87 PolarHBondContact O-N 2.98Å; L87-E89 PolarHBondContact O-N 3.12Å; L87-P487 WeakPolarHBondContact CA-O 3.3Å; L87-M490 HydrophobicContact CD1-CG 4.09Å; L87-M490 HydrophobicContact CD2-CE 4.34Å; L87-M490 HydrophobicContact CD2-CG 3.9Å; L87-M490 HydrophobicContact CG-CE 4.28Å; L87-M490 HydrophobicContact CG-CG 4.34Å; L87-G514 VanDerWaalsContact CD1-CA 3.49Å; L87-P515 HydrophobicContact CB-CG 4.49Å
88	L	97.3	Very high	95.3	Very high	35 Å²	35	58.3 Å²	58.3	18%	0.183	28%	0.282	C	S	.	.			trans	-77.4	112.2	178.4	-172	70.5	0	0	0	110.7	L82 F90 K304 P487 C488	L82-L88 HydrophobicContact CD2-CB 4.29Å; L88-F90 VanDerWaalsContact CD1-O 3.25Å; L88-F90 WeakPolarHBondContact CD1-O 3.48Å; L88-K304 HydrophobicContact CD2-CB 3.8Å; L88-K304 HydrophobicContact CD2-CG 4.2Å; L88-P487 HydrophobicContact CB-CB 3.74Å; L88-P487 HydrophobicContact CD2-CB 4.03Å; L88-P487 PolarHBondContact N-O 3.01Å; L88-C488 VanDerWaalsContact O-CB 3.24Å; L88-C488 WeakPolarHBondContact O-CB 3.39Å
89	E	95.8	Very high	95.3	Very high	118 Å²	118	59.4 Å²	59.4	55%	0.551	29%	0.286	S	S	*	.	S	Bend	trans	-89.6	-34.8	174.8	-71.1	-177.4	-157.3	0	0	113.1	L87 S297 P515	L87-E89 PolarHBondContact O-N 3.12Å; E89-S297 WeakPolarHBondContact O-CA 3.06Å; E89-S297 VanDerWaalsContact O-CB 3.27Å; E89-S297 WeakPolarHBondContact O-CB 3.37Å; E89-S297 PolarHBondContact O-N 3.46Å; E89-P515 HydrophobicContact CG-CB 4.02Å; E89-P515 HydrophobicContact CG-CG 3.91Å
90	F	95.1	Very high	95.3	Very high	55 Å²	55	62.3 Å²	62.3	24%	0.241	30%	0.3	C	S	.	.			trans	-149.9	143.3	178.3	51	-91	0	0	0	110.3	L88 D93 R96 S300	L88-F90 VanDerWaalsContact CD1-O 3.25Å; L88-F90 WeakPolarHBondContact CD1-O 3.48Å; F90-D93 WeakPolarHBondContact CE2-OD1 3.42Å; F90-R96 HydrophobicContact CD1-CG 4.47Å; F90-S300 WeakPolarHBondContact CA-OG 3.5Å
91	Y	95.9	Very high	95.3	Very high	66 Å²	66	61.1 Å²	61.1	26%	0.259	29%	0.289	S	S	.	.	S	Bend	trans	-90.5	-35.6	176.4	-176.5	-86.9	0	0	0	112	S300 I303 K304 E307	Y91-S300 VanDerWaalsContact N-CB 3.29Å; Y91-S300 PolarHBondContact N-OG 3.42Å; Y91-I303 HydrophobicContact CD1-CG2 3.65Å; Y91-I303 HydrophobicContact CD2-CB 4.46Å; Y91-I303 HydrophobicContact CD2-CG2 3.85Å; Y91-I303 HydrophobicContact CE1-CG2 3.75Å; Y91-I303 HydrophobicContact CE2-CG2 3.92Å; Y91-I303 HydrophobicContact CG-CB 4.34Å; Y91-I303 HydrophobicContact CG-CG2 3.71Å; Y91-K304 HydrophobicContact CD2-CB 4.09Å; Y91-K304 HydrophobicContact CD2-CD 4.26Å; Y91-K304 HydrophobicContact CE2-CB 4.31Å; Y91-K304 HydrophobicContact CE2-CD 3.93Å; Y91-E307 PolarHBondContact OH-OE1 2.87Å
92	Y	95	Very high	95.3	Very high	46 Å²	46	60 Å²	60	18%	0.18	28%	0.283	C	S	.	.	S	Bend	trans	-110.7	133.1	174.6	-59.1	-71.8	0	0	0	108.7	D94 I95 R104 I303 Y339	Y92-D94 PolarHBondContact O-N 3.23Å; Y92-I95 HydrophobicContact CD2-CG1 4.12Å; Y92-I95 HydrophobicContact CG-CG1 4.2Å; Y92-I95 PolarHBondContact O-N 3.18Å; Y92-I95 VanDerWaalsContact O-N 3.11Å; Y92-R104 VanDerWaalsContact CE1-NH2 3.26Å; Y92-R104 VanDerWaalsContact CZ-NH2 3.26Å; Y92-R104 PolarHBondContact OH-NH2 3.17Å; Y92-I303 HydrophobicContact CE2-CD1 4.12Å; Y92-Y339 PolarHBondContact OH-OH 2.72Å
93	D	92.4	Very high	95.4	Very high	128 Å²	128	61 Å²	61	68%	0.684	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30	-175.4	-66	-39.8	0	0	0	113.3	F90 R96	F90-D93 WeakPolarHBondContact CE2-OD1 3.42Å; D93-R96 PolarHBondContact O-NE 3.42Å
94	D	92.1	Very high	95.6	Very high	77 Å²	77	53.2 Å²	53.2	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.3	-178.9	70.3	-42.2	0	0	0	114.3	Y92 R107	Y92-D94 PolarHBondContact O-N 3.23Å; D94-R107 IonicContact OD2-NH2 2.83Å; D94-R107 PolarHBondContact OD2-NH2 3.04Å
95	I	95.3	Very high	95.9	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	23%	0.233	C	C	.	.			trans	-126.2	90.6	-175	-48.1	-63.5	0	0	0	110.2	Y92 E100 M101 R104	Y92-I95 HydrophobicContact CD2-CG1 4.12Å; Y92-I95 HydrophobicContact CG-CG1 4.2Å; Y92-I95 PolarHBondContact O-N 3.18Å; Y92-I95 VanDerWaalsContact O-N 3.11Å; I95-E100 HydrophobicContact CD1-CB 4.14Å; I95-E100 WeakPolarHBondContact CD1-O 3.46Å; I95-M101 HydrophobicContact CG2-CB 4.16Å; I95-M101 HydrophobicContact CG2-CG 3.32Å; I95-R104 HydrophobicContact CD1-CB 3.55Å; I95-R104 HydrophobicContact CD1-CG 4.16Å
96	R	96.4	Very high	96.1	Very high	110 Å²	110	48.8 Å²	48.8	42%	0.415	23%	0.228	S	C	.	.			trans	-118.4	-10.3	-178.9	-56.3	-174.7	179.2	-139.7	-2.6	113	F90 D93 E100 P269 A296	F90-R96 HydrophobicContact CD1-CG 4.47Å; D93-R96 PolarHBondContact O-NE 3.42Å; R96-E100 WeakPolarHBondContact CA-OE2 3.38Å; R96-E100 PolarHBondContact N-OE2 3.05Å; R96-P269 HydrophobicContact CB-CG 3.88Å; R96-A296 VanDerWaalsContact O-CB 3.32Å; R96-A296 WeakPolarHBondContact O-CB 3.37Å
97	T	98.1	Very high	96.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	23%	0.225	C	C	.	.	S	Bend	trans	-133.6	156.2	179.8	67.6	0	0	0	0	112.3	Y99 E100 M101 P267 P269 H292	T97-Y99 PolarHBondContact O-N 3.23Å; T97-E100 PolarHBondContact N-OE2 3.25Å; T97-E100 PolarHBondContact O-N 3.44Å; T97-E100 VanDerWaalsContact O-N 3.11Å; T97-E100 VanDerWaalsContact OG1-CG 3.31Å; T97-E100 WeakPolarHBondContact OG1-CG 3.49Å; T97-E100 PolarHBondContact OG1-N 2.94Å; T97-E100 PolarHBondContact OG1-OE2 3.44Å; T97-M101 WeakPolarHBondContact O-CG 3.45Å; T97-M101 PolarHBondContact O-N 2.71Å; T97-P267 HydrophobicContact CG2-CG 4.44Å; T97-P267 WeakPolarHBondContact CG2-O 3.41Å; T97-P269 HydrophobicContact CG2-CG 4.26Å; T97-H292 HydrophobicContact CG2-CB 4.02Å
98	V	97	Very high	96.2	Very high	1 Å²	1	51 Å²	51	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-33.1	174.2	-167	0	0	0	0	113.1	M101 F102 Y170 A273 H292 I295 L334	V98-M101 WeakPolarHBondContact O-CB 3.37Å; V98-M101 PolarHBondContact O-N 2.7Å; V98-F102 PolarHBondContact O-N 3.36Å; V98-F102 VanDerWaalsContact O-N 3.12Å; V98-Y170 HydrophobicContact CB-CD2 4.07Å; V98-Y170 HydrophobicContact CB-CE2 4.07Å; V98-Y170 HydrophobicContact CB-CG 4.44Å; V98-Y170 HydrophobicContact CG1-CD2 3.63Å; V98-Y170 HydrophobicContact CG1-CE2 3.36Å; V98-Y170 HydrophobicContact CG1-CG 4.46Å; V98-A273 HydrophobicContact CG2-CB 4.45Å; V98-H292 PolarHBondContact N-ND1 3.04Å; V98-I295 HydrophobicContact CG2-CB 3.82Å; V98-I295 HydrophobicContact CG2-CD1 3.77Å; V98-I295 HydrophobicContact CG2-CG1 4.39Å; V98-I295 HydrophobicContact CG2-CG2 3.65Å; V98-L334 HydrophobicContact CG1-CD1 3.75Å; V98-L334 HydrophobicContact CG1-CD2 3.46Å; V98-L334 VanDerWaalsContact CG1-CD2 3.46Å; V98-L334 HydrophobicContact CG1-CG 4.18Å; V98-L334 HydrophobicContact CG2-CD1 4.44Å
99	Y	97.3	Very high	96.1	Very high	40 Å²	40	50 Å²	50	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-50.5	173.3	177.2	-92.7	0	0	0	110.8	T97 M101 F102 Q103 T171 L266	T97-Y99 PolarHBondContact O-N 3.23Å; Y99-M101 VanDerWaalsContact C-N 3.31Å; Y99-M101 PolarHBondContact O-N 3.3Å; Y99-F102 PolarHBondContact O-N 3.3Å; Y99-F102 VanDerWaalsContact O-N 3.17Å; Y99-Q103 HydrophobicContact CD1-CG 3.92Å; Y99-Q103 HydrophobicContact CE1-CG 3.49Å; Y99-Q103 VanDerWaalsContact CE1-CG 3.49Å; Y99-Q103 HydrophobicContact CE2-CG 4.43Å; Y99-Q103 WeakPolarHBondContact O-CG 3.41Å; Y99-Q103 PolarHBondContact O-N 3.21Å; Y99-T171 HydrophobicContact CE2-CG2 4.25Å; Y99-L266 HydrophobicContact CD1-CD2 3.86Å; Y99-L266 HydrophobicContact CE1-CD2 3.35Å; Y99-L266 HydrophobicContact CE2-CD2 4.09Å; Y99-L266 HydrophobicContact CG-CD2 4.42Å; Y99-L266 VanDerWaalsContact CZ-CD2 3.47Å
100	E	97.8	Very high	95.9	Very high	63 Å²	63	47.6 Å²	47.6	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-36.2	178.6	-68.5	161.8	153	0	0	112.4	I95 R96 T97 F102 Q103 R104	I95-E100 HydrophobicContact CD1-CB 4.14Å; I95-E100 WeakPolarHBondContact CD1-O 3.46Å; R96-E100 WeakPolarHBondContact CA-OE2 3.38Å; R96-E100 PolarHBondContact N-OE2 3.05Å; T97-E100 PolarHBondContact N-OE2 3.25Å; T97-E100 PolarHBondContact O-N 3.44Å; T97-E100 VanDerWaalsContact O-N 3.11Å; T97-E100 VanDerWaalsContact OG1-CG 3.31Å; T97-E100 WeakPolarHBondContact OG1-CG 3.49Å; T97-E100 PolarHBondContact OG1-N 2.94Å; T97-E100 PolarHBondContact OG1-OE2 3.44Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 3.08Å; E100-Q103 PolarHBondContact O-N 2.62Å; E100-R104 WeakPolarHBondContact O-CB 3.32Å; E100-R104 PolarHBondContact O-N 3.34Å
101	M	97.5	Very high	95.9	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-48.5	172.8	-67.1	171.4	64.4	0	0	111	I95 T97 V98 Y99 R104 G105 I295 T299 L334 C338	I95-M101 HydrophobicContact CG2-CB 4.16Å; I95-M101 HydrophobicContact CG2-CG 3.32Å; T97-M101 WeakPolarHBondContact O-CG 3.45Å; T97-M101 PolarHBondContact O-N 2.71Å; V98-M101 WeakPolarHBondContact O-CB 3.37Å; V98-M101 PolarHBondContact O-N 2.7Å; Y99-M101 VanDerWaalsContact C-N 3.31Å; Y99-M101 PolarHBondContact O-N 3.3Å; M101-R104 PolarHBondContact O-N 2.87Å; M101-G105 PolarHBondContact O-N 3.13Å; M101-G105 VanDerWaalsContact O-N 3.13Å; M101-I295 HydrophobicContact SD-CG2 4.29Å; M101-T299 HydrophobicContact CE-CG2 3.57Å; M101-L334 HydrophobicContact CE-CB 3.97Å; M101-C338 HydrophobicContact CB-CB 4.25Å; M101-C338 HydrophobicContact CE-CB 4.23Å; M101-C338 WeakPolarHBondContact O-CA 3.35Å
102	F	97.3	Very high	95.9	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-42.4	177.6	-174.3	-92.9	0	0	0	112	V98 Y99 E100 R104 G105 L106 Y129 V132 A133 M167 Y337	V98-F102 PolarHBondContact O-N 3.36Å; V98-F102 VanDerWaalsContact O-N 3.12Å; Y99-F102 PolarHBondContact O-N 3.3Å; Y99-F102 VanDerWaalsContact O-N 3.17Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 3.08Å; F102-R104 VanDerWaalsContact C-N 3.29Å; F102-R104 PolarHBondContact O-N 2.66Å; F102-G105 WeakPolarHBondContact O-CA 3.41Å; F102-G105 PolarHBondContact O-N 2.94Å; F102-L106 PolarHBondContact O-N 2.96Å; F102-Y129 HydrophobicContact CD2-CD1 4.48Å; F102-Y129 HydrophobicContact CD2-CE1 4.33Å; F102-Y129 HydrophobicContact CE1-CD1 4.32Å; F102-Y129 AromaticContact CE2-CD1 3.79Å; F102-Y129 HydrophobicContact CE2-CD1 3.79Å; F102-Y129 AromaticContact CE2-CE1 3.89Å; F102-Y129 HydrophobicContact CE2-CE1 3.89Å; F102-Y129 AromaticContact CZ-CD1 3.69Å; F102-Y129 HydrophobicContact CZ-CD1 3.69Å; F102-Y129 HydrophobicContact CZ-CE1 4.27Å; F102-V132 HydrophobicContact CE2-CG1 4.04Å; F102-V132 HydrophobicContact CZ-CB 3.99Å; F102-V132 HydrophobicContact CZ-CG1 3.62Å; F102-A133 HydrophobicContact CE1-CB 4.08Å; F102-M167 HydrophobicContact CB-SD 4.01Å; F102-M167 HydrophobicContact CD2-CE 3.93Å; F102-M167 HydrophobicContact CD2-CG 4.37Å; F102-M167 HydrophobicContact CD2-SD 3.72Å; F102-M167 HydrophobicContact CE2-CG 4.46Å; F102-M167 HydrophobicContact CE2-SD 4.37Å; F102-M167 HydrophobicContact CG-SD 3.82Å; F102-Y337 HydrophobicContact CD2-CG 4.34Å
103	Q	96.7	Very high	96	Very high	43 Å²	43	46.5 Å²	46.5	20%	0.201	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-37.7	177.2	-67.2	-54.5	-39.8	0	0	112.4	Y99 E100 G105 L106 R107	Y99-Q103 HydrophobicContact CD1-CG 3.92Å; Y99-Q103 HydrophobicContact CE1-CG 3.49Å; Y99-Q103 VanDerWaalsContact CE1-CG 3.49Å; Y99-Q103 HydrophobicContact CE2-CG 4.43Å; Y99-Q103 WeakPolarHBondContact O-CG 3.41Å; Y99-Q103 PolarHBondContact O-N 3.21Å; E100-Q103 PolarHBondContact O-N 2.62Å; Q103-G105 VanDerWaalsContact C-N 3.35Å; Q103-L106 PolarHBondContact O-N 2.9Å; Q103-R107 WeakPolarHBondContact O-CG 3.27Å; Q103-R107 PolarHBondContact O-N 2.93Å; Q103-R107 PolarHBondContact O-NH1 3.36Å
104	R	96.6	Very high	96.3	Very high	45 Å²	45	40.4 Å²	40.4	17%	0.17	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-44.8	172.1	175.7	179.6	178.9	82.2	5.1	111.4	Y92 I95 E100 M101 F102 L106 R107 I108	Y92-R104 VanDerWaalsContact CE1-NH2 3.26Å; Y92-R104 VanDerWaalsContact CZ-NH2 3.26Å; Y92-R104 PolarHBondContact OH-NH2 3.17Å; I95-R104 HydrophobicContact CD1-CB 3.55Å; I95-R104 HydrophobicContact CD1-CG 4.16Å; E100-R104 WeakPolarHBondContact O-CB 3.32Å; E100-R104 PolarHBondContact O-N 3.34Å; M101-R104 PolarHBondContact O-N 2.87Å; F102-R104 VanDerWaalsContact C-N 3.29Å; F102-R104 PolarHBondContact O-N 2.66Å; R104-L106 VanDerWaalsContact C-N 3.35Å; R104-L106 PolarHBondContact O-N 3.44Å; R104-R107 PolarHBondContact O-N 3.32Å; R104-I108 HydrophobicContact CG-CD1 3.58Å; R104-I108 HydrophobicContact CG-CG1 4.26Å; R104-I108 WeakPolarHBondContact O-CB 3.42Å; R104-I108 VanDerWaalsContact O-CG1 3.31Å; R104-I108 WeakPolarHBondContact O-CG1 3.14Å; R104-I108 PolarHBondContact O-N 2.87Å
105	G	96.9	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-51.5	-52.3	173.2	0	0	0	0	0	113.6	M101 F102 Q103 R107 I108 S109 Y337 G340	M101-G105 PolarHBondContact O-N 3.13Å; M101-G105 VanDerWaalsContact O-N 3.13Å; F102-G105 WeakPolarHBondContact O-CA 3.41Å; F102-G105 PolarHBondContact O-N 2.94Å; Q103-G105 VanDerWaalsContact C-N 3.35Å; G105-R107 PolarHBondContact O-N 2.81Å; G105-I108 PolarHBondContact O-N 2.97Å; G105-S109 VanDerWaalsContact O-CB 3.31Å; G105-S109 WeakPolarHBondContact O-CB 3.41Å; G105-S109 PolarHBondContact O-N 2.87Å; G105-S109 PolarHBondContact O-OG 3.19Å; G105-Y337 WeakPolarHBondContact CA-O 3.45Å; G105-G340 WeakPolarHBondContact O-CA 3.5Å
106	L	96.7	Very high	96.7	Very high	32 Å²	32	36.5 Å²	36.5	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-45.4	176.6	171	62.8	0	0	0	112	F102 Q103 R104 S109 Y129 S130 A133	F102-L106 PolarHBondContact O-N 2.96Å; Q103-L106 PolarHBondContact O-N 2.9Å; R104-L106 VanDerWaalsContact C-N 3.35Å; R104-L106 PolarHBondContact O-N 3.44Å; L106-S109 PolarHBondContact O-OG 2.67Å; L106-Y129 HydrophobicContact CB-CD1 4.13Å; L106-Y129 HydrophobicContact CB-CG 4.5Å; L106-Y129 VanDerWaalsContact CD1-CB 3.47Å; L106-S130 WeakPolarHBondContact CD1-OG 3.44Å; L106-A133 HydrophobicContact CD2-CB 4.37Å
107	R	96.3	Very high	96.7	Very high	141 Å²	141	35.4 Å²	35.4	53%	0.532	19%	0.187	S	C	.	.	H	α-helix	trans	-63.6	-43.6	177.2	-70.1	-169	-56.6	-88.7	12.9	112.3	D94 Q103 R104 G105	D94-R107 IonicContact OD2-NH2 2.83Å; D94-R107 PolarHBondContact OD2-NH2 3.04Å; Q103-R107 WeakPolarHBondContact O-CG 3.27Å; Q103-R107 PolarHBondContact O-N 2.93Å; Q103-R107 PolarHBondContact O-NH1 3.36Å; R104-R107 PolarHBondContact O-N 3.32Å; G105-R107 PolarHBondContact O-N 2.81Å
108	I	95.8	Very high	96.5	Very high	55 Å²	55	36.2 Å²	36.2	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-72.7	-42.3	-175.4	-71.5	176.8	0	0	0	111.1	R104 G105 G110 Q314	R104-I108 HydrophobicContact CG-CD1 3.58Å; R104-I108 HydrophobicContact CG-CG1 4.26Å; R104-I108 WeakPolarHBondContact O-CB 3.42Å; R104-I108 VanDerWaalsContact O-CG1 3.31Å; R104-I108 WeakPolarHBondContact O-CG1 3.14Å; R104-I108 PolarHBondContact O-N 2.87Å; G105-I108 PolarHBondContact O-N 2.97Å; I108-G110 PolarHBondContact O-N 3.46Å; I108-Q314 HydrophobicContact CG2-CG 3.9Å; I108-Q314 VanDerWaalsContact O-CD 3.26Å; I108-Q314 PolarHBondContact O-NE2 3.35Å; I108-Q314 PolarHBondContact O-OE1 3.45Å
109	S	95.7	Very high	96.2	Very high	13 Å²	13	42.2 Å²	42.2	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-17.9	-176.3	69.7	0	0	0	0	113.7	G105 L106 D111 G112 Y129	G105-S109 VanDerWaalsContact O-CB 3.31Å; G105-S109 WeakPolarHBondContact O-CB 3.41Å; G105-S109 PolarHBondContact O-N 2.87Å; G105-S109 PolarHBondContact O-OG 3.19Å; L106-S109 PolarHBondContact O-OG 2.67Å; S109-D111 VanDerWaalsContact C-N 3.3Å; S109-D111 PolarHBondContact O-N 2.98Å; S109-D111 PolarHBondContact OG-N 3.26Å; S109-G112 PolarHBondContact O-N 3.2Å; S109-G112 VanDerWaalsContact O-N 3.15Å; S109-G112 PolarHBondContact OG-N 2.83Å; S109-Y129 WeakPolarHBondContact OG-CD2 3.3Å
110	G	92.9	Very high	95.7	Very high	67 Å²	67	45 Å²	45	69%	0.691	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	41.1	-175	0	0	0	0	0	112.2	I108	I108-G110 PolarHBondContact O-N 3.46Å
111	D	93.3	Very high	95.2	Very high	75 Å²	75	45.4 Å²	45.4	40%	0.401	26%	0.259	S	S	.	.	S	Bend	trans	64.6	33.4	-172	-162.9	35.9	0	0	0	114.8	S109 S128 S130	S109-D111 VanDerWaalsContact C-N 3.3Å; S109-D111 PolarHBondContact O-N 2.98Å; S109-D111 PolarHBondContact OG-N 3.26Å; D111-S128 VanDerWaalsContact OD1-CB 3.3Å; D111-S128 WeakPolarHBondContact OD1-CB 3.31Å; D111-S128 PolarHBondContact OD1-OG 3.45Å; D111-S130 WeakPolarHBondContact OD1-CA 3.43Å; D111-S130 WeakPolarHBondContact OD1-CB 3.38Å; D111-S130 PolarHBondContact OD1-N 2.95Å; D111-S130 PolarHBondContact OD1-OG 3.12Å
112	G	95.9	Very high	95.1	Very high	19 Å²	19	49.3 Å²	49.3	20%	0.196	28%	0.278	C	S	.	.			trans	-64.3	174.1	174.9	0	0	0	0	0	114.2	S109 C114 S128 Y129	S109-G112 PolarHBondContact O-N 3.2Å; S109-G112 VanDerWaalsContact O-N 3.15Å; S109-G112 PolarHBondContact OG-N 2.83Å; G112-C114 PolarHBondContact O-N 3.14Å; G112-S128 WeakPolarHBondContact O-CA 3.45Å; G112-Y129 WeakPolarHBondContact O-CD2 3.31Å; G112-Y129 PolarHBondContact O-N 3.1Å; G112-Y129 VanDerWaalsContact O-N 3.12Å
113	P	98	Very high	95	Very high	51 Å²	51	53.6 Å²	53.6	33%	0.331	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	135	172.9	25.5	-34.5	0	0	0	111.4	W126 R342	P113-W126 HydrophobicContact CB-CB 3.77Å; P113-W126 HydrophobicContact CB-CD2 3.9Å; P113-W126 HydrophobicContact CB-CE3 3.91Å; P113-W126 HydrophobicContact CB-CG 3.86Å; P113-R342 VanDerWaalsContact O-CB 3.27Å; P113-R342 WeakPolarHBondContact O-CB 3.13Å
114	C	98.6	Very high	95	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-62.2	-178.3	-176.3	0	0	0	0	112.1	G112 I127 Y129 V132 R342 V343	G112-C114 PolarHBondContact O-N 3.14Å; C114-I127 WeakPolarHBondContact CA-O 3.43Å; C114-I127 WeakPolarHBondContact CB-O 3.47Å; C114-I127 PolarHBondContact N-O 2.84Å; C114-Y129 HydrophobicContact CB-CD1 4.31Å; C114-Y129 HydrophobicContact CB-CD2 3.55Å; C114-Y129 HydrophobicContact CB-CE1 4.48Å; C114-Y129 HydrophobicContact CB-CE2 3.72Å; C114-Y129 HydrophobicContact CB-CG 3.84Å; C114-V132 HydrophobicContact CB-CG2 4.21Å; C114-R342 WeakPolarHBondContact O-CA 3.41Å; C114-V343 PolarHBondContact O-N 2.91Å
115	L	98.7	Very high	95.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.6	-174.8	-51.7	178.3	0	0	0	110.2	W126 I127 V132 P160 I163 I164 Y337 F345	L115-W126 WeakPolarHBondContact O-CA 3.31Å; L115-I127 HydrophobicContact CB-CB 4.41Å; L115-I127 PolarHBondContact N-O 2.87Å; L115-I127 VanDerWaalsContact N-O 3.14Å; L115-I127 PolarHBondContact O-N 2.72Å; L115-V132 HydrophobicContact CD1-CG1 4.26Å; L115-V132 HydrophobicContact CD1-CG2 3.56Å; L115-V132 HydrophobicContact CG-CG2 3.8Å; L115-P160 HydrophobicContact CB-CB 3.95Å; L115-P160 HydrophobicContact CB-CG 4.37Å; L115-P160 HydrophobicContact CD1-CB 4Å; L115-I163 HydrophobicContact CD1-CB 3.95Å; L115-I163 HydrophobicContact CD1-CG2 4.09Å; L115-I163 HydrophobicContact CD2-CB 4.2Å; L115-I163 HydrophobicContact CD2-CG1 4.38Å; L115-I163 HydrophobicContact CD2-CG2 3.97Å; L115-I164 HydrophobicContact CD1-CD1 4.47Å; L115-I164 HydrophobicContact CD1-CG1 4.11Å; L115-Y337 HydrophobicContact CD2-CE1 3.81Å; L115-Y337 WeakPolarHBondContact CD2-OH 3.27Å; L115-F345 HydrophobicContact CB-CE2 4.35Å; L115-F345 HydrophobicContact CD2-CE2 4.1Å
116	G	98.1	Very high	95.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.3	-179.1	0	0	0	0	0	112.2	E125 W126 V343 G344 F345	G116-E125 CarbonylContact C-O 3.57Å; G116-E125 WeakPolarHBondContact CA-O 3.29Å; G116-W126 VanDerWaalsContact CA-CZ3 3.5Å; G116-V343 PolarHBondContact N-O 2.84Å; G116-G344 CarbonylContact O-C 3.5Å; G116-G344 WeakPolarHBondContact O-CA 3.28Å; G116-F345 VanDerWaalsContact O-CD2 3.32Å; G116-F345 WeakPolarHBondContact O-CD2 3.28Å; G116-F345 PolarHBondContact O-N 3.17Å
117	Y	96.6	Very high	95.2	Very high	87 Å²	87	57.9 Å²	57.9	34%	0.341	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.6	171.4	64	-85.6	0	0	0	110.5	Y124 E125 I127 P160	Y117-Y124 WeakPolarHBondContact O-CA 3.32Å; Y117-E125 HydrophobicContact CE1-CB 4.15Å; Y117-E125 HydrophobicContact CE2-CB 4.04Å; Y117-E125 VanDerWaalsContact CE2-OE2 3.31Å; Y117-E125 WeakPolarHBondContact CE2-OE2 3.44Å; Y117-E125 VanDerWaalsContact CZ-OE2 3.24Å; Y117-E125 PolarHBondContact N-O 2.85Å; Y117-E125 PolarHBondContact O-N 3.04Å; Y117-E125 PolarHBondContact OH-OE2 2.95Å; Y117-I127 HydrophobicContact CE1-CD1 4.27Å; Y117-I127 HydrophobicContact CE1-CG1 4.12Å; Y117-P160 HydrophobicContact CD1-CG 3.79Å; Y117-P160 HydrophobicContact CG-CG 4.14Å
118	R	93.9	Very high	95.3	Very high	19 Å²	19	52 Å²	52	7%	0.072	30%	0.304	C	S	.	.			trans	-147.4	154.3	175.9	67.9	-178.9	-71.3	-133.9	8.8	112.4	Q122 P123 Y124 Q347 D355 D356 T359	R118-Q122 VanDerWaalsContact CZ-O 3.29Å; R118-Q122 PolarHBondContact NE-O 3.01Å; R118-Q122 PolarHBondContact NH2-O 2.93Å; R118-P123 WeakPolarHBondContact CB-O 3.22Å; R118-Y124 HydrophobicContact CB-CD1 4.31Å; R118-Y124 HydrophobicContact CB-CD2 4.39Å; R118-Y124 HydrophobicContact CB-CE1 4.43Å; R118-Y124 HydrophobicContact CB-CG 4.28Å; R118-Y124 HydrophobicContact CG-CD2 4.37Å; R118-Y124 HydrophobicContact CG-CE1 4.16Å; R118-Y124 HydrophobicContact CG-CE2 4.02Å; R118-Q347 HydrophobicContact CG-CG 3.86Å; R118-D355 IonicContact CZ-OD2 2.96Å; R118-D355 IonicContact NH1-OD2 3.42Å; R118-D355 PolarHBondContact NH1-OD2 2.84Å; R118-D355 IonicContact NH2-OD2 2.92Å; R118-D355 PolarHBondContact NH2-OD2 2.77Å; R118-D356 WeakPolarHBondContact CD-OD1 3.39Å; R118-D356 IonicContact CZ-OD1 3.21Å; R118-D356 IonicContact NE-OD1 2.96Å; R118-D356 IonicContact NH1-OD1 2.79Å; R118-D356 PolarHBondContact NH1-OD1 3.09Å; R118-T359 PolarHBondContact NH1-OG1 3.07Å; R118-T359 PolarHBondContact NH2-OG1 3.32Å
119	K	89	Confident	95.5	Very high	127 Å²	127	49.4 Å²	49.4	55%	0.552	29%	0.29	S	S	*	.			trans	-91	158.6	165.3	-68.7	176.1	-177.6	170.1	0	110.1	G121 Q122	K119-G121 PolarHBondContact O-N 3.01Å; K119-Q122 HydrophobicContact CB-CB 4.32Å; K119-Q122 HydrophobicContact CB-CG 4.26Å; K119-Q122 WeakPolarHBondContact O-CB 3.36Å; K119-Q122 PolarHBondContact O-N 3.48Å
120	P	87.9	Confident	95.6	Very high	97 Å²	97	51 Å²	51	63%	0.63	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	128.1	175.7	-21	25.6	0	0	0	112.6	Q122	P120-Q122 PolarHBondContact O-N 2.69Å
121	G	87.8	Confident	95.8	Very high	72 Å²	72	52.5 Å²	52.5	74%	0.742	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	2.1	178.6	0	0	0	0	0	115.7	K119	K119-G121 PolarHBondContact O-N 3.01Å
122	Q	93.6	Very high	96.1	Very high	86 Å²	86	49 Å²	49	40%	0.402	27%	0.272	S	S	.	.	S	Bend	trans	-104.5	158.4	179.4	-64.8	-170.4	0.6	0	0	111.6	R118 K119 P120	R118-Q122 VanDerWaalsContact CZ-O 3.29Å; R118-Q122 PolarHBondContact NE-O 3.01Å; R118-Q122 PolarHBondContact NH2-O 2.93Å; K119-Q122 HydrophobicContact CB-CB 4.32Å; K119-Q122 HydrophobicContact CB-CG 4.26Å; K119-Q122 WeakPolarHBondContact O-CB 3.36Å; K119-Q122 PolarHBondContact O-N 3.48Å; P120-Q122 PolarHBondContact O-N 2.69Å
123	P	95.6	Very high	96.2	Very high	96 Å²	96	49.2 Å²	49.2	62%	0.623	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-67.4	169.4	170.9	30	-35.8	0	0	0	111.8	R118	R118-P123 WeakPolarHBondContact CB-O 3.22Å
124	Y	97.5	Very high	96.2	Very high	26 Å²	26	51.6 Å²	51.6	10%	0.102	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-72.6	129	171.3	-86.3	-91.6	0	0	0	111.4	Y117 R118 W126 F345 T359 L360	Y117-Y124 WeakPolarHBondContact O-CA 3.32Å; R118-Y124 HydrophobicContact CB-CD1 4.31Å; R118-Y124 HydrophobicContact CB-CD2 4.39Å; R118-Y124 HydrophobicContact CB-CE1 4.43Å; R118-Y124 HydrophobicContact CB-CG 4.28Å; R118-Y124 HydrophobicContact CG-CD2 4.37Å; R118-Y124 HydrophobicContact CG-CE1 4.16Å; R118-Y124 HydrophobicContact CG-CE2 4.02Å; Y124-W126 HydrophobicContact CG-CZ2 4.47Å; Y124-F345 WeakPolarHBondContact CE1-O 3.46Å; Y124-F345 PolarHBondContact OH-O 3.17Å; Y124-T359 HydrophobicContact CD2-CG2 4.21Å; Y124-T359 HydrophobicContact CE2-CG2 4.45Å; Y124-L360 HydrophobicContact CD1-CD1 4.01Å; Y124-L360 HydrophobicContact CD2-CB 4.12Å; Y124-L360 HydrophobicContact CD2-CD1 3.68Å; Y124-L360 HydrophobicContact CD2-CG 4.49Å; Y124-L360 HydrophobicContact CE1-CD1 3.99Å; Y124-L360 HydrophobicContact CE2-CB 3.49Å; Y124-L360 VanDerWaalsContact CE2-CB 3.49Å; Y124-L360 HydrophobicContact CE2-CD1 3.64Å; Y124-L360 HydrophobicContact CE2-CG 4.05Å; Y124-L360 HydrophobicContact CG-CD1 3.87Å
125	E	97.8	Very high	96.2	Very high	85 Å²	85	52.8 Å²	52.8	40%	0.397	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.3	164.7	-67.3	174.2	-159.4	0	0	108.8	G116 Y117	G116-E125 CarbonylContact C-O 3.57Å; G116-E125 WeakPolarHBondContact CA-O 3.29Å; Y117-E125 HydrophobicContact CE1-CB 4.15Å; Y117-E125 HydrophobicContact CE2-CB 4.04Å; Y117-E125 VanDerWaalsContact CE2-OE2 3.31Å; Y117-E125 WeakPolarHBondContact CE2-OE2 3.44Å; Y117-E125 VanDerWaalsContact CZ-OE2 3.24Å; Y117-E125 PolarHBondContact N-O 2.85Å; Y117-E125 PolarHBondContact O-N 3.04Å; Y117-E125 PolarHBondContact OH-OE2 2.95Å
126	W	98.2	Very high	96.1	Very high	79 Å²	79	52.9 Å²	52.9	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.5	-172.8	-63.3	90.9	0	0	0	111.5	P113 L115 G116 Y124 V317 R342 L360	P113-W126 HydrophobicContact CB-CB 3.77Å; P113-W126 HydrophobicContact CB-CD2 3.9Å; P113-W126 HydrophobicContact CB-CE3 3.91Å; P113-W126 HydrophobicContact CB-CG 3.86Å; L115-W126 WeakPolarHBondContact O-CA 3.31Å; G116-W126 VanDerWaalsContact CA-CZ3 3.5Å; Y124-W126 HydrophobicContact CG-CZ2 4.47Å; W126-V317 HydrophobicContact CH2-CG2 3.89Å; W126-R342 HydrophobicContact CE3-CB 4.17Å; W126-R342 HydrophobicContact CE3-CG 4.38Å; W126-R342 HydrophobicContact CH2-CB 4.2Å; W126-R342 HydrophobicContact CH2-CG 3.67Å; W126-R342 HydrophobicContact CZ3-CB 3.58Å; W126-R342 HydrophobicContact CZ3-CG 3.6Å; W126-L360 HydrophobicContact CH2-CD1 3.91Å; W126-L360 HydrophobicContact CZ2-CD1 3.91Å
127	I	98.6	Very high	96.1	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.108	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.7	168.9	-49.2	176.1	0	0	0	107.5	C114 L115 Y117 E131 V132 P160 I164	C114-I127 WeakPolarHBondContact CA-O 3.43Å; C114-I127 WeakPolarHBondContact CB-O 3.47Å; C114-I127 PolarHBondContact N-O 2.84Å; L115-I127 HydrophobicContact CB-CB 4.41Å; L115-I127 PolarHBondContact N-O 2.87Å; L115-I127 VanDerWaalsContact N-O 3.14Å; L115-I127 PolarHBondContact O-N 2.72Å; Y117-I127 HydrophobicContact CE1-CD1 4.27Å; Y117-I127 HydrophobicContact CE1-CG1 4.12Å; I127-E131 HydrophobicContact CG2-CB 3.57Å; I127-V132 HydrophobicContact CB-CG2 4.27Å; I127-V132 HydrophobicContact CG2-CG2 3.72Å; I127-P160 HydrophobicContact CD1-CB 3.87Å; I127-I164 HydrophobicContact CD1-CD1 4.28Å
128	S	98.6	Very high	96.2	Very high	17 Å²	17	53.8 Å²	53.8	12%	0.119	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	164	-179.8	90.1	0	0	0	0	112.6	D111 G112 S130 E131 V132	D111-S128 VanDerWaalsContact OD1-CB 3.3Å; D111-S128 WeakPolarHBondContact OD1-CB 3.31Å; D111-S128 PolarHBondContact OD1-OG 3.45Å; G112-S128 WeakPolarHBondContact O-CA 3.45Å; S128-S130 VanDerWaalsContact C-N 3.33Å; S128-S130 PolarHBondContact O-N 3.32Å; S128-S130 PolarHBondContact OG-N 3.27Å; S128-E131 PolarHBondContact N-OE2 3.48Å; S128-E131 PolarHBondContact O-N 3.32Å; S128-E131 WeakPolarHBondContact OG-CG 3.34Å; S128-E131 PolarHBondContact OG-N 3.18Å; S128-E131 VanDerWaalsContact OG-N 3.16Å; S128-V132 VanDerWaalsContact O-CG2 3.3Å; S128-V132 WeakPolarHBondContact O-CG2 3.38Å; S128-V132 PolarHBondContact O-N 3.01Å
129	Y	98.5	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-41.1	174.8	-88	-94.2	0	0	0	112.7	F102 L106 S109 G112 C114 V132 A133 Y337 G340 A341	F102-Y129 HydrophobicContact CD2-CD1 4.48Å; F102-Y129 HydrophobicContact CD2-CE1 4.33Å; F102-Y129 HydrophobicContact CE1-CD1 4.32Å; F102-Y129 AromaticContact CE2-CD1 3.79Å; F102-Y129 HydrophobicContact CE2-CD1 3.79Å; F102-Y129 AromaticContact CE2-CE1 3.89Å; F102-Y129 HydrophobicContact CE2-CE1 3.89Å; F102-Y129 AromaticContact CZ-CD1 3.69Å; F102-Y129 HydrophobicContact CZ-CD1 3.69Å; F102-Y129 HydrophobicContact CZ-CE1 4.27Å; L106-Y129 HydrophobicContact CB-CD1 4.13Å; L106-Y129 HydrophobicContact CB-CG 4.5Å; L106-Y129 VanDerWaalsContact CD1-CB 3.47Å; S109-Y129 WeakPolarHBondContact OG-CD2 3.3Å; G112-Y129 WeakPolarHBondContact O-CD2 3.31Å; G112-Y129 PolarHBondContact O-N 3.1Å; G112-Y129 VanDerWaalsContact O-N 3.12Å; C114-Y129 HydrophobicContact CB-CD1 4.31Å; C114-Y129 HydrophobicContact CB-CD2 3.55Å; C114-Y129 HydrophobicContact CB-CE1 4.48Å; C114-Y129 HydrophobicContact CB-CE2 3.72Å; C114-Y129 HydrophobicContact CB-CG 3.84Å; Y129-V132 PolarHBondContact O-N 3.29Å; Y129-A133 WeakPolarHBondContact O-CB 3.38Å; Y129-A133 PolarHBondContact O-N 2.93Å; Y129-Y337 WeakPolarHBondContact OH-CA 3.47Å; Y129-Y337 PolarHBondContact OH-O 3.37Å; Y129-G340 VanDerWaalsContact OH-C 3.24Å; Y129-G340 VanDerWaalsContact OH-CA 3.29Å; Y129-G340 WeakPolarHBondContact OH-CA 3.48Å; Y129-A341 PolarHBondContact OH-N 3.32Å; Y129-A341 PolarHBondContact OH-O 3.44Å
130	S	98.3	Very high	96.8	Very high	48 Å²	48	46.9 Å²	46.9	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-69.5	-38.6	179.9	-54.5	0	0	0	0	111.6	L106 D111 S128 V132 A133 Q134	L106-S130 WeakPolarHBondContact CD1-OG 3.44Å; D111-S130 WeakPolarHBondContact OD1-CA 3.43Å; D111-S130 WeakPolarHBondContact OD1-CB 3.38Å; D111-S130 PolarHBondContact OD1-N 2.95Å; D111-S130 PolarHBondContact OD1-OG 3.12Å; S128-S130 VanDerWaalsContact C-N 3.33Å; S128-S130 PolarHBondContact O-N 3.32Å; S128-S130 PolarHBondContact OG-N 3.27Å; S130-V132 VanDerWaalsContact C-N 3.34Å; S130-V132 PolarHBondContact O-N 3.23Å; S130-A133 PolarHBondContact O-N 3.34Å; S130-Q134 VanDerWaalsContact O-CB 3.27Å; S130-Q134 WeakPolarHBondContact O-CB 3.37Å; S130-Q134 PolarHBondContact O-N 2.71Å
131	E	98.3	Very high	97.3	Very high	98 Å²	98	42.3 Å²	42.3	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-41.9	173.8	-72.1	179.5	123.9	0	0	111.4	I127 S128 Q135	I127-E131 HydrophobicContact CG2-CB 3.57Å; S128-E131 PolarHBondContact N-OE2 3.48Å; S128-E131 PolarHBondContact O-N 3.32Å; S128-E131 WeakPolarHBondContact OG-CG 3.34Å; S128-E131 PolarHBondContact OG-N 3.18Å; S128-E131 VanDerWaalsContact OG-N 3.16Å; E131-Q135 VanDerWaalsContact O-CB 3.29Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 VanDerWaalsContact O-CG 3.22Å; E131-Q135 WeakPolarHBondContact O-CG 3.37Å; E131-Q135 PolarHBondContact O-N 3.25Å
132	V	98.5	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-47	175.1	173.1	0	0	0	0	111.1	F102 C114 L115 I127 S128 Y129 S130 Q134 Q135 A136 I164 M167	F102-V132 HydrophobicContact CE2-CG1 4.04Å; F102-V132 HydrophobicContact CZ-CB 3.99Å; F102-V132 HydrophobicContact CZ-CG1 3.62Å; C114-V132 HydrophobicContact CB-CG2 4.21Å; L115-V132 HydrophobicContact CD1-CG1 4.26Å; L115-V132 HydrophobicContact CD1-CG2 3.56Å; L115-V132 HydrophobicContact CG-CG2 3.8Å; I127-V132 HydrophobicContact CB-CG2 4.27Å; I127-V132 HydrophobicContact CG2-CG2 3.72Å; S128-V132 VanDerWaalsContact O-CG2 3.3Å; S128-V132 WeakPolarHBondContact O-CG2 3.38Å; S128-V132 PolarHBondContact O-N 3.01Å; Y129-V132 PolarHBondContact O-N 3.29Å; S130-V132 VanDerWaalsContact C-N 3.34Å; S130-V132 PolarHBondContact O-N 3.23Å; V132-Q134 VanDerWaalsContact C-N 3.32Å; V132-Q134 PolarHBondContact O-N 2.96Å; V132-Q135 PolarHBondContact O-N 3.16Å; V132-A136 VanDerWaalsContact O-CB 3.3Å; V132-A136 WeakPolarHBondContact O-CB 3.48Å; V132-A136 PolarHBondContact O-N 3.05Å; V132-I164 HydrophobicContact CG1-CG1 4.27Å; V132-M167 HydrophobicContact CG1-CG 4.39Å
133	A	97.9	Very high	97.9	Very high	25 Å²	25	34.8 Å²	34.8	21%	0.207	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-44.3	178.7	0	0	0	0	0	111.7	F102 L106 Y129 S130 A136 Q137	F102-A133 HydrophobicContact CE1-CB 4.08Å; L106-A133 HydrophobicContact CD2-CB 4.37Å; Y129-A133 WeakPolarHBondContact O-CB 3.38Å; Y129-A133 PolarHBondContact O-N 2.93Å; S130-A133 PolarHBondContact O-N 3.34Å; A133-A136 PolarHBondContact O-N 3.43Å; A133-Q137 PolarHBondContact O-N 3.47Å
134	Q	97.8	Very high	98	Very high	100 Å²	100	32.8 Å²	32.8	47%	0.467	16%	0.16	S	C	.	.	H	α-helix	trans	-68.8	-43.6	179.7	179	151.8	81	0	0	112	S130 V132 A136 Q137 W138	S130-Q134 VanDerWaalsContact O-CB 3.27Å; S130-Q134 WeakPolarHBondContact O-CB 3.37Å; S130-Q134 PolarHBondContact O-N 2.71Å; V132-Q134 VanDerWaalsContact C-N 3.32Å; V132-Q134 PolarHBondContact O-N 2.96Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.41Å; Q134-Q137 PolarHBondContact O-N 3.27Å; Q134-W138 HydrophobicContact CG-CD2 3.95Å; Q134-W138 HydrophobicContact CG-CE3 4.24Å; Q134-W138 HydrophobicContact CG-CH2 3.56Å; Q134-W138 HydrophobicContact CG-CZ2 3.21Å; Q134-W138 HydrophobicContact CG-CZ3 4.06Å; Q134-W138 PolarHBondContact O-N 3.04Å
135	Q	98.3	Very high	97.9	Very high	26 Å²	26	33.8 Å²	33.8	12%	0.121	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-38	174.3	-75.5	179.9	63	0	0	112	E131 V132 W138 M139 I164 M254	E131-Q135 VanDerWaalsContact O-CB 3.29Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 VanDerWaalsContact O-CG 3.22Å; E131-Q135 WeakPolarHBondContact O-CG 3.37Å; E131-Q135 PolarHBondContact O-N 3.25Å; V132-Q135 PolarHBondContact O-N 3.16Å; Q135-W138 HydrophobicContact CG-CE3 4.41Å; Q135-W138 HydrophobicContact CG-CZ3 4.48Å; Q135-W138 PolarHBondContact O-N 2.83Å; Q135-M139 WeakPolarHBondContact O-CB 3.34Å; Q135-M139 PolarHBondContact O-N 2.8Å; Q135-I164 HydrophobicContact CB-CG2 3.72Å; Q135-M254 HydrophobicContact CB-CE 3.82Å; Q135-M254 HydrophobicContact CG-CE 4.05Å; Q135-M254 HydrophobicContact CG-SD 4.35Å
136	A	98	Very high	97.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-41.2	174.9	0	0	0	0	0	112	V132 A133 Q134 G140 M167 A168	V132-A136 VanDerWaalsContact O-CB 3.3Å; V132-A136 WeakPolarHBondContact O-CB 3.48Å; V132-A136 PolarHBondContact O-N 3.05Å; A133-A136 PolarHBondContact O-N 3.43Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.41Å; A136-G140 PolarHBondContact O-N 3.46Å; A136-M167 HydrophobicContact CB-CB 3.71Å; A136-A168 HydrophobicContact CB-CB 4.39Å; A136-A168 WeakPolarHBondContact O-CA 3.35Å; A136-A168 VanDerWaalsContact O-CB 3.27Å; A136-A168 WeakPolarHBondContact O-CB 3.33Å
137	Q	97.9	Very high	97.5	Very high	50 Å²	50	31 Å²	31	23%	0.234	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-47.1	176.8	-165.7	-178.7	8.6	0	0	111.9	A133 Q134 S141 Y172 L261	A133-Q137 PolarHBondContact O-N 3.47Å; Q134-Q137 PolarHBondContact O-N 3.27Å; Q137-S141 WeakPolarHBondContact O-CB 3.45Å; Q137-S141 PolarHBondContact O-N 3.41Å; Q137-S141 PolarHBondContact O-OG 3.08Å; Q137-S141 VanDerWaalsContact O-OG 3.07Å; Q137-Y172 WeakPolarHBondContact CG-OH 3.24Å; Q137-Y172 PolarHBondContact O-OH 2.88Å; Q137-L261 HydrophobicContact CG-CD1 4.07Å
138	W	98.4	Very high	97.1	Very high	57 Å²	57	30.2 Å²	30.2	22%	0.216	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-48.2	176.7	-61.4	-23.3	0	0	0	111.4	Q134 Q135 G140 S141 G142 M254 G257 K258	Q134-W138 HydrophobicContact CG-CD2 3.95Å; Q134-W138 HydrophobicContact CG-CE3 4.24Å; Q134-W138 HydrophobicContact CG-CH2 3.56Å; Q134-W138 HydrophobicContact CG-CZ2 3.21Å; Q134-W138 HydrophobicContact CG-CZ3 4.06Å; Q134-W138 PolarHBondContact O-N 3.04Å; Q135-W138 HydrophobicContact CG-CE3 4.41Å; Q135-W138 HydrophobicContact CG-CZ3 4.48Å; Q135-W138 PolarHBondContact O-N 2.83Å; W138-G140 PolarHBondContact O-N 2.78Å; W138-S141 PolarHBondContact O-N 3Å; W138-G142 PolarHBondContact O-N 2.85Å; W138-M254 HydrophobicContact CB-CB 4.22Å; W138-M254 HydrophobicContact CB-CG 4.32Å; W138-G257 WeakPolarHBondContact O-CA 3.23Å; W138-K258 HydrophobicContact CB-CG 4.41Å; W138-K258 HydrophobicContact CD2-CD 4.33Å; W138-K258 HydrophobicContact CD2-CG 3.93Å; W138-K258 VanDerWaalsContact CE3-CE 3.5Å; W138-K258 HydrophobicContact CG-CG 3.77Å
139	M	97.9	Very high	96.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-44	-179.2	-172.9	165	-172.3	0	0	111.7	Q135 G142 M143 I164 S165 A168 V201 F229 L253 M254	Q135-M139 WeakPolarHBondContact O-CB 3.34Å; Q135-M139 PolarHBondContact O-N 2.8Å; M139-G142 PolarHBondContact O-N 2.89Å; M139-M143 HydrophobicContact CE-CE 3.42Å; M139-M143 VanDerWaalsContact CE-CE 3.42Å; M139-M143 HydrophobicContact CG-CE 3.69Å; M139-M143 HydrophobicContact CG-SD 4.44Å; M139-M143 WeakPolarHBondContact O-CG 3.48Å; M139-M143 PolarHBondContact O-N 3.12Å; M139-M143 HydrophobicContact SD-CE 4.13Å; M139-I164 HydrophobicContact SD-CG2 4.05Å; M139-S165 WeakPolarHBondContact CE-OG 3.32Å; M139-A168 HydrophobicContact CB-CB 4.08Å; M139-A168 HydrophobicContact CG-CB 4.24Å; M139-V201 HydrophobicContact CE-CG1 4.13Å; M139-V201 HydrophobicContact CE-CG2 4.13Å; M139-F229 HydrophobicContact CE-CE1 4.21Å; M139-L253 HydrophobicContact CE-CD2 4.14Å; M139-L253 HydrophobicContact CG-CD2 3.88Å; M139-M254 HydrophobicContact CB-CE 4.3Å; M139-M254 HydrophobicContact CB-CG 4.38Å; M139-M254 HydrophobicContact SD-CE 4.39Å
140	G	97.6	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-41	178.8	0	0	0	0	0	113.2	A136 W138 G142 M143 I144	A136-G140 PolarHBondContact O-N 3.46Å; W138-G140 PolarHBondContact O-N 2.78Å; G140-G142 VanDerWaalsContact C-N 3.28Å; G140-G142 PolarHBondContact O-N 2.86Å; G140-M143 WeakPolarHBondContact O-CB 3.31Å; G140-M143 PolarHBondContact O-N 3.44Å; G140-I144 WeakPolarHBondContact O-CG1 3.21Å; G140-I144 PolarHBondContact O-N 2.92Å
141	S	97.9	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-41	171.4	-69	0	0	0	0	111.7	Q137 W138 I144 A145 Y172 G257 K262	Q137-S141 WeakPolarHBondContact O-CB 3.45Å; Q137-S141 PolarHBondContact O-N 3.41Å; Q137-S141 PolarHBondContact O-OG 3.08Å; Q137-S141 VanDerWaalsContact O-OG 3.07Å; W138-S141 PolarHBondContact O-N 3Å; S141-I144 PolarHBondContact O-N 2.9Å; S141-A145 WeakPolarHBondContact O-CB 3.4Å; S141-A145 PolarHBondContact O-N 3.17Å; S141-Y172 PolarHBondContact OG-OH 3.19Å; S141-G257 WeakPolarHBondContact CB-O 3.36Å; S141-K262 PolarHBondContact OG-N 3.37Å
142	G	97.9	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-41.3	175.4	0	0	0	0	0	113	W138 M139 G140 A145 K146 L253 G257	W138-G142 PolarHBondContact O-N 2.85Å; M139-G142 PolarHBondContact O-N 2.89Å; G140-G142 VanDerWaalsContact C-N 3.28Å; G140-G142 PolarHBondContact O-N 2.86Å; G142-A145 PolarHBondContact O-N 2.91Å; G142-K146 PolarHBondContact O-N 3.01Å; G142-L253 VanDerWaalsContact C-CD1 3.47Å; G142-G257 VanDerWaalsContact N-CA 3.34Å
143	M	97.4	Very high	95.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.3	-70.3	167.3	174.2	0	0	111.7	M139 G140 K146 G147 C148 V152 A168 M174 L199 V201 L253	M139-M143 HydrophobicContact CE-CE 3.42Å; M139-M143 VanDerWaalsContact CE-CE 3.42Å; M139-M143 HydrophobicContact CG-CE 3.69Å; M139-M143 HydrophobicContact CG-SD 4.44Å; M139-M143 WeakPolarHBondContact O-CG 3.48Å; M139-M143 PolarHBondContact O-N 3.12Å; M139-M143 HydrophobicContact SD-CE 4.13Å; G140-M143 WeakPolarHBondContact O-CB 3.31Å; G140-M143 PolarHBondContact O-N 3.44Å; M143-K146 CarbonylContact O-C 3.44Å; M143-K146 PolarHBondContact O-N 3.15Å; M143-G147 PolarHBondContact O-N 3.47Å; M143-C148 HydrophobicContact CB-CB 4.22Å; M143-C148 VanDerWaalsContact O-CB 3.24Å; M143-C148 WeakPolarHBondContact O-CB 3.45Å; M143-C148 PolarHBondContact O-N 3.39Å; M143-V152 HydrophobicContact CE-CG1 4.04Å; M143-V152 HydrophobicContact SD-CG1 4.36Å; M143-V152 HydrophobicContact SD-CG2 4.1Å; M143-A168 HydrophobicContact SD-CB 4.3Å; M143-M174 HydrophobicContact CB-CE 4.1Å; M143-M174 HydrophobicContact CB-SD 4.49Å; M143-M174 HydrophobicContact SD-CE 4.06Å; M143-L199 HydrophobicContact CB-CD1 4.26Å; M143-L199 HydrophobicContact CG-CD1 4.12Å; M143-L199 HydrophobicContact CG-CD2 4.39Å; M143-V201 HydrophobicContact CE-CG2 3.89Å; M143-L253 HydrophobicContact CE-CD2 4.5Å; M143-L253 HydrophobicContact CG-CD2 4.13Å
144	I	96.6	Very high	95.6	Very high	54 Å²	54	36.1 Å²	36.1	28%	0.277	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-42.7	175.5	-67.2	167.5	0	0	0	110.7	G140 S141 K146 G147 Y172 M174 K262	G140-I144 WeakPolarHBondContact O-CG1 3.21Å; G140-I144 PolarHBondContact O-N 2.92Å; S141-I144 PolarHBondContact O-N 2.9Å; I144-K146 PolarHBondContact O-N 3.39Å; I144-G147 WeakPolarHBondContact O-CA 3.34Å; I144-G147 PolarHBondContact O-N 3.21Å; I144-Y172 HydrophobicContact CD1-CD1 3.39Å; I144-Y172 HydrophobicContact CD1-CD2 4.36Å; I144-Y172 HydrophobicContact CD1-CE1 3.94Å; I144-Y172 HydrophobicContact CD1-CG 3.63Å; I144-M174 HydrophobicContact CG1-CE 4.5Å; I144-K262 HydrophobicContact CD1-CG 4.49Å; I144-K262 HydrophobicContact CG2-CG 4.44Å
145	A	96.5	Very high	95.4	Very high	47 Å²	47	32 Å²	32	39%	0.388	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-26.9	176.7	0	0	0	0	0	112.7	S141 G142 G147 L256 N260	S141-A145 WeakPolarHBondContact O-CB 3.4Å; S141-A145 PolarHBondContact O-N 3.17Å; G142-A145 PolarHBondContact O-N 2.91Å; A145-G147 VanDerWaalsContact C-N 3.26Å; A145-G147 PolarHBondContact O-N 3.01Å; A145-L256 HydrophobicContact CB-CD2 4.01Å; A145-L256 HydrophobicContact CB-CG 4.06Å; A145-N260 HydrophobicContact CB-CB 4.09Å
146	K	95.4	Very high	95.1	Very high	60 Å²	60	31.2 Å²	31.2	26%	0.261	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	10.6	170.8	-74	-65.5	-176.7	-170.1	0	114.5	G142 M143 I144 L199 D246 L248 L253 L256	G142-K146 PolarHBondContact O-N 3.01Å; M143-K146 CarbonylContact O-C 3.44Å; M143-K146 PolarHBondContact O-N 3.15Å; I144-K146 PolarHBondContact O-N 3.39Å; K146-L199 HydrophobicContact CB-CD1 4.16Å; K146-D246 IonicContact NZ-OD2 3.84Å; K146-D246 PolarHBondContact NZ-OD2 3.09Å; K146-L248 HydrophobicContact CD-CD1 4.31Å; K146-L248 VanDerWaalsContact CE-CD1 3.41Å; K146-L248 HydrophobicContact CG-CD1 4.13Å; K146-L253 HydrophobicContact CG-CD1 4.37Å; K146-L256 HydrophobicContact CD-CD2 4.35Å; K146-L256 HydrophobicContact CG-CD2 3.97Å
147	G	90.6	Very high	94.7	Very high	47 Å²	47	32.9 Å²	32.9	49%	0.485	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	16.4	174.6	0	0	0	0	0	114.2	M143 I144 A145	M143-G147 PolarHBondContact O-N 3.47Å; I144-G147 WeakPolarHBondContact O-CA 3.34Å; I144-G147 PolarHBondContact O-N 3.21Å; A145-G147 VanDerWaalsContact C-N 3.26Å; A145-G147 PolarHBondContact O-N 3.01Å
148	C	90.5	Very high	94.4	Very high	4 Å²	4	31 Å²	31	3%	0.027	17%	0.168	C	C	.	.			trans	-72.1	130.5	171.5	-167.1	0	0	0	0	110.1	M143 V152 M174 L199	M143-C148 HydrophobicContact CB-CB 4.22Å; M143-C148 VanDerWaalsContact O-CB 3.24Å; M143-C148 WeakPolarHBondContact O-CB 3.45Å; M143-C148 PolarHBondContact O-N 3.39Å; C148-V152 WeakPolarHBondContact SG-CG2 3.09Å; C148-M174 HydrophobicContact CB-SD 4.18Å; C148-L199 HydrophobicContact CB-CB 4.39Å; C148-L199 HydrophobicContact CB-CD1 4.33Å
149	Q	79.3	Confident	94.2	Very high	178 Å²	178	30.5 Å²	30.5	83%	0.832	17%	0.166	S	C	*	.			trans	-122.7	-23.8	-175.7	-67.9	-173.9	-19.9	0	0	114.2
150	Q	88.8	Confident	94.2	Very high	112 Å²	112	30.7 Å²	30.7	52%	0.523	17%	0.167	S	C	.	.	S	Bend	trans	-146.5	-61.3	-173	-167	174.1	23.9	0	0	113.3	M174 A175	Q150-M174 CarbonylContact O-C 3.54Å; Q150-M174 WeakPolarHBondContact O-CA 3.42Å; Q150-M174 WeakPolarHBondContact O-CB 3.45Å; Q150-A175 PolarHBondContact O-N 3.38Å
151	F	97.4	Very high	94.2	Very high	21 Å²	21	32.3 Å²	32.3	9%	0.092	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	-173.8	-63.5	-63.5	0	0	0	112.4	A175 V177 A195 M197 L272 V275 L522	F151-A175 WeakPolarHBondContact CA-O 3.29Å; F151-A175 HydrophobicContact CD1-CB 3.73Å; F151-A175 HydrophobicContact CE1-CB 3.75Å; F151-V177 HydrophobicContact CB-CG2 3.91Å; F151-V177 HydrophobicContact CD1-CG2 3.71Å; F151-V177 HydrophobicContact CG-CG2 4.1Å; F151-A195 HydrophobicContact CD2-CB 4.31Å; F151-A195 VanDerWaalsContact CD2-O 3.32Å; F151-A195 WeakPolarHBondContact CD2-O 3.47Å; F151-A195 HydrophobicContact CG-CB 4.42Å; F151-M197 HydrophobicContact CB-CG 3.99Å; F151-L272 HydrophobicContact CE1-CD1 4.12Å; F151-L272 HydrophobicContact CZ-CD1 4.16Å; F151-V275 HydrophobicContact CD1-CG2 4.23Å; F151-V275 HydrophobicContact CE1-CG2 3.57Å; F151-V275 HydrophobicContact CZ-CG2 4.38Å; F151-L522 HydrophobicContact CZ-CD1 4.18Å
152	V	98.1	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.7	173.1	176.3	0	0	0	0	109	M143 C148 V154 M174 A175 V177 L199 V201	M143-V152 HydrophobicContact CE-CG1 4.04Å; M143-V152 HydrophobicContact SD-CG1 4.36Å; M143-V152 HydrophobicContact SD-CG2 4.1Å; C148-V152 WeakPolarHBondContact SG-CG2 3.09Å; V152-V154 HydrophobicContact CG1-CG2 4.32Å; V152-M174 HydrophobicContact CG2-SD 3.89Å; V152-A175 PolarHBondContact N-O 3.46Å; V152-V177 PolarHBondContact O-N 2.9Å; V152-L199 HydrophobicContact CG1-CD2 3.88Å; V152-V201 HydrophobicContact CG1-CG2 4.06Å
153	G	97.4	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.7	172.4	0	0	0	0	0	110.7	V177 M197 L199 V200 V201	G153-V177 CarbonylContact C-O 3.07Å; G153-V177 WeakPolarHBondContact CA-O 3.4Å; G153-M197 VanDerWaalsContact CA-SD 3.58Å; G153-L199 PolarHBondContact N-O 3.07Å; G153-L199 VanDerWaalsContact N-O 3.11Å; G153-V200 CarbonylContact O-C 3.44Å; G153-V200 WeakPolarHBondContact O-CA 3.27Å; G153-V201 PolarHBondContact O-N 2.97Å
154	V	97.3	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.4	169.5	-171.2	0	0	0	0	109.8	V152 W162 L176 V177 L179 V201 F229	V152-V154 HydrophobicContact CG1-CG2 4.32Å; V154-W162 HydrophobicContact CB-CD2 4.35Å; V154-W162 HydrophobicContact CB-CE3 4.25Å; V154-W162 HydrophobicContact CB-CH2 3.88Å; V154-W162 HydrophobicContact CB-CZ2 4.03Å; V154-W162 HydrophobicContact CB-CZ3 3.98Å; V154-W162 HydrophobicContact CG1-CD2 3.55Å; V154-W162 HydrophobicContact CG1-CE3 3.31Å; V154-W162 HydrophobicContact CG1-CG 4.22Å; V154-W162 HydrophobicContact CG1-CH2 3.86Å; V154-W162 HydrophobicContact CG1-CZ2 4.11Å; V154-W162 HydrophobicContact CG1-CZ3 3.44Å; V154-W162 VanDerWaalsContact CG1-CZ3 3.44Å; V154-W162 WeakPolarHBondContact O-CH2 3.37Å; V154-W162 WeakPolarHBondContact O-CZ3 3.45Å; V154-L176 HydrophobicContact CB-CD1 4.43Å; V154-L176 HydrophobicContact CG2-CD1 3.62Å; V154-L176 HydrophobicContact CG2-CG 4Å; V154-V177 PolarHBondContact N-O 3.2Å; V154-L179 WeakPolarHBondContact O-CB 3.38Å; V154-L179 PolarHBondContact O-N 3.42Å; V154-V201 CarbonylContact C-O 3.55Å; V154-V201 WeakPolarHBondContact CA-O 3.23Å; V154-V201 HydrophobicContact CG1-CB 4.48Å; V154-V201 HydrophobicContact CG2-CB 4.4Å; V154-F229 HydrophobicContact CG1-CZ 4.48Å
155	Y	94.3	Very high	94.3	Very high	13 Å²	13	30 Å²	30	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	88	-175	-169.4	-159.3	0	0	0	111.8	L179 D181 V201 C202 D203 R207 L211	Y155-L179 HydrophobicContact CD2-CB 3.96Å; Y155-L179 HydrophobicContact CG-CB 3.99Å; Y155-D181 HydrophobicContact CE2-CB 4.41Å; Y155-D181 WeakPolarHBondContact CE2-OD1 3.49Å; Y155-D181 PolarHBondContact OH-OD1 3.45Å; Y155-V201 PolarHBondContact N-O 2.97Å; Y155-C202 WeakPolarHBondContact O-CA 3.28Å; Y155-D203 PolarHBondContact O-N 3.32Å; Y155-R207 HydrophobicContact CD1-CB 3.92Å; Y155-R207 HydrophobicContact CD1-CG 4.31Å; Y155-R207 HydrophobicContact CE1-CB 3.76Å; Y155-R207 HydrophobicContact CE1-CG 3.85Å; Y155-L211 HydrophobicContact CD1-CD1 4.34Å
156	S	92.3	Very high	94.3	Very high	11 Å²	11	27.8 Å²	27.8	8%	0.077	14%	0.144	C	C	.	.	S	Bend	trans	-164	155	-169.2	166.1	0	0	0	0	110.9	R159 W162	S156-R159 WeakPolarHBondContact OG-CD 3.41Å; S156-W162 WeakPolarHBondContact O-CZ3 3.4Å
157	P	88.6	Confident	94.5	Very high	35 Å²	35	25.1 Å²	25.1	23%	0.227	13%	0.133	C	C	.	.	S	Bend	trans	-66	174.3	161.8	34.4	-41.4	0	0	0	110.4	R159 D203	P157-R159 PolarHBondContact O-N 2.98Å; P157-D203 WeakPolarHBondContact CD-OD2 3.47Å
158	N	92.3	Very high	94.8	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.059	11%	0.11	C	C	.	.	S	Bend	trans	-60.5	126.8	172.5	-62.3	17.8	0	0	0	110.8	S320 L322 P323 L324 F345 F346	N158-S320 PolarHBondContact ND2-OG 2.98Å; N158-L322 PolarHBondContact ND2-O 2.98Å; N158-P323 WeakPolarHBondContact OD1-CA 3.31Å; N158-L324 HydrophobicContact CB-CD1 4.13Å; N158-L324 HydrophobicContact CB-CG 4.35Å; N158-L324 PolarHBondContact OD1-N 2.67Å; N158-F345 HydrophobicContact CB-CD1 3.78Å; N158-F345 HydrophobicContact CB-CE1 3.97Å; N158-F346 HydrophobicContact CB-CE1 4.05Å
159	R	94.8	Very high	95.2	Very high	47 Å²	47	22.7 Å²	22.7	18%	0.177	11%	0.108	C	C	.	.			trans	-162	162.7	173.4	60.9	-170.9	-63.7	-177	-1.3	110.3	S156 P157 E161 W162 F229 N230 F345	S156-R159 WeakPolarHBondContact OG-CD 3.41Å; P157-R159 PolarHBondContact O-N 2.98Å; R159-E161 VanDerWaalsContact C-N 3.27Å; R159-E161 WeakPolarHBondContact CB-OE2 3.32Å; R159-E161 HydrophobicContact CG-CB 4.45Å; R159-E161 VanDerWaalsContact CG-OE2 3.32Å; R159-E161 WeakPolarHBondContact CG-OE2 3.42Å; R159-E161 IonicContact CZ-OE1 3.82Å; R159-E161 IonicContact CZ-OE2 2.77Å; R159-E161 VanDerWaalsContact NE-CD 3.28Å; R159-E161 IonicContact NE-OE1 3.69Å; R159-E161 IonicContact NE-OE2 3.23Å; R159-E161 PolarHBondContact NE-OE2 3.2Å; R159-E161 VanDerWaalsContact NH2-CD 3.31Å; R159-E161 IonicContact NH2-OE1 2.83Å; R159-E161 PolarHBondContact NH2-OE1 2.97Å; R159-E161 IonicContact NH2-OE2 3.73Å; R159-E161 PolarHBondContact O-N 3.3Å; R159-W162 HydrophobicContact CG-CB 4.37Å; R159-W162 VanDerWaalsContact O-CB 3.26Å; R159-W162 WeakPolarHBondContact O-CB 3.49Å; R159-W162 PolarHBondContact O-N 2.84Å; R159-W162 VanDerWaalsContact O-N 3.13Å; R159-F229 HydrophobicContact CG-CD2 4.39Å; R159-F229 HydrophobicContact CG-CE2 4.3Å; R159-N230 PolarHBondContact NH1-OD1 3.03Å; R159-N230 PolarHBondContact NH2-OD1 3.36Å; R159-F345 VanDerWaalsContact N-CD1 3.3Å; R159-F345 WeakPolarHBondContact O-CE1 3.5Å
160	P	97.5	Very high	96	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-54.4	-39.7	179.4	-27.4	34.9	0	0	0	114.3	L115 Y117 I127 W162 I163 I164 F345	L115-P160 HydrophobicContact CB-CB 3.95Å; L115-P160 HydrophobicContact CB-CG 4.37Å; L115-P160 HydrophobicContact CD1-CB 4Å; Y117-P160 HydrophobicContact CD1-CG 3.79Å; Y117-P160 HydrophobicContact CG-CG 4.14Å; I127-P160 HydrophobicContact CD1-CB 3.87Å; P160-W162 PolarHBondContact O-N 3.26Å; P160-I163 PolarHBondContact O-N 3.01Å; P160-I164 PolarHBondContact O-N 3.28Å; P160-F345 HydrophobicContact CG-CD2 3.91Å; P160-F345 HydrophobicContact CG-CE2 4.31Å; P160-F345 HydrophobicContact CG-CG 4.43Å
161	E	97.1	Very high	96.4	Very high	35 Å²	35	9.6 Å²	9.6	16%	0.164	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-27	-177.3	-56	89.2	149.5	0	0	112.4	R159 I164 S165 F229	R159-E161 VanDerWaalsContact C-N 3.27Å; R159-E161 WeakPolarHBondContact CB-OE2 3.32Å; R159-E161 HydrophobicContact CG-CB 4.45Å; R159-E161 VanDerWaalsContact CG-OE2 3.32Å; R159-E161 WeakPolarHBondContact CG-OE2 3.42Å; R159-E161 IonicContact CZ-OE1 3.82Å; R159-E161 IonicContact CZ-OE2 2.77Å; R159-E161 VanDerWaalsContact NE-CD 3.28Å; R159-E161 IonicContact NE-OE1 3.69Å; R159-E161 IonicContact NE-OE2 3.23Å; R159-E161 PolarHBondContact NE-OE2 3.2Å; R159-E161 VanDerWaalsContact NH2-CD 3.31Å; R159-E161 IonicContact NH2-OE1 2.83Å; R159-E161 PolarHBondContact NH2-OE1 2.97Å; R159-E161 IonicContact NH2-OE2 3.73Å; R159-E161 PolarHBondContact O-N 3.3Å; E161-I164 PolarHBondContact O-N 3.38Å; E161-S165 WeakPolarHBondContact O-CB 3.21Å; E161-S165 PolarHBondContact O-N 3.02Å; E161-S165 PolarHBondContact O-OG 3.18Å; E161-F229 HydrophobicContact CB-CD1 3.55Å; E161-F229 HydrophobicContact CB-CD2 4.04Å; E161-F229 HydrophobicContact CB-CE1 3.51Å; E161-F229 HydrophobicContact CB-CE2 4.02Å; E161-F229 HydrophobicContact CB-CG 3.82Å; E161-F229 HydrophobicContact CB-CZ 3.76Å; E161-F229 HydrophobicContact CG-CD1 4.3Å; E161-F229 HydrophobicContact CG-CG 4.42Å; E161-F229 WeakPolarHBondContact O-CZ 3.5Å
162	W	96.8	Very high	96.4	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.011	5%	0.046	C	C	.	.	H	α-helix	trans	-60.3	-49.6	169.3	-178.4	-64.2	0	0	0	110.4	V154 S156 R159 P160 I164 S165 E166 L176 P178 L324	V154-W162 HydrophobicContact CB-CD2 4.35Å; V154-W162 HydrophobicContact CB-CE3 4.25Å; V154-W162 HydrophobicContact CB-CH2 3.88Å; V154-W162 HydrophobicContact CB-CZ2 4.03Å; V154-W162 HydrophobicContact CB-CZ3 3.98Å; V154-W162 HydrophobicContact CG1-CD2 3.55Å; V154-W162 HydrophobicContact CG1-CE3 3.31Å; V154-W162 HydrophobicContact CG1-CG 4.22Å; V154-W162 HydrophobicContact CG1-CH2 3.86Å; V154-W162 HydrophobicContact CG1-CZ2 4.11Å; V154-W162 HydrophobicContact CG1-CZ3 3.44Å; V154-W162 VanDerWaalsContact CG1-CZ3 3.44Å; V154-W162 WeakPolarHBondContact O-CH2 3.37Å; V154-W162 WeakPolarHBondContact O-CZ3 3.45Å; S156-W162 WeakPolarHBondContact O-CZ3 3.4Å; R159-W162 HydrophobicContact CG-CB 4.37Å; R159-W162 VanDerWaalsContact O-CB 3.26Å; R159-W162 WeakPolarHBondContact O-CB 3.49Å; R159-W162 PolarHBondContact O-N 2.84Å; R159-W162 VanDerWaalsContact O-N 3.13Å; P160-W162 PolarHBondContact O-N 3.26Å; W162-I164 VanDerWaalsContact C-N 3.33Å; W162-I164 PolarHBondContact O-N 3.29Å; W162-S165 WeakPolarHBondContact O-CB 3.4Å; W162-S165 PolarHBondContact O-N 2.96Å; W162-E166 PolarHBondContact O-N 3.17Å; W162-L176 HydrophobicContact CZ2-CD2 4.33Å; W162-P178 HydrophobicContact CH2-CB 3.97Å; W162-P178 HydrophobicContact CZ2-CB 3.75Å; W162-L324 HydrophobicContact CB-CD1 4.01Å; W162-L324 HydrophobicContact CD2-CB 4.24Å; W162-L324 HydrophobicContact CD2-CD1 4.09Å; W162-L324 HydrophobicContact CG-CB 4.48Å; W162-L324 HydrophobicContact CG-CD1 3.55Å; W162-L324 HydrophobicContact CZ2-CB 4.18Å
163	I	98	Very high	96.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-36.9	-178.7	-59.1	-58.9	0	0	0	110.8	L115 P160 S165 E166 M167 L324 Y337 F345	L115-I163 HydrophobicContact CD1-CB 3.95Å; L115-I163 HydrophobicContact CD1-CG2 4.09Å; L115-I163 HydrophobicContact CD2-CB 4.2Å; L115-I163 HydrophobicContact CD2-CG1 4.38Å; L115-I163 HydrophobicContact CD2-CG2 3.97Å; P160-I163 PolarHBondContact O-N 3.01Å; I163-S165 VanDerWaalsContact C-N 3.3Å; I163-S165 PolarHBondContact O-N 3.05Å; I163-E166 WeakPolarHBondContact O-CB 3.49Å; I163-E166 PolarHBondContact O-N 2.93Å; I163-M167 HydrophobicContact CG2-CE 3.97Å; I163-M167 HydrophobicContact CG2-CG 4.15Å; I163-M167 WeakPolarHBondContact O-CB 3.49Å; I163-M167 VanDerWaalsContact O-CG 3.28Å; I163-M167 WeakPolarHBondContact O-CG 3.47Å; I163-M167 PolarHBondContact O-N 3.32Å; I163-L324 HydrophobicContact CD1-CD1 3.77Å; I163-L324 HydrophobicContact CD1-CD2 3.95Å; I163-L324 HydrophobicContact CG1-CD1 4.36Å; I163-Y337 HydrophobicContact CG2-CE2 3.99Å; I163-F345 HydrophobicContact CD1-CZ 4.49Å; I163-F345 HydrophobicContact CG1-CE1 4.41Å; I163-F345 HydrophobicContact CG1-CE2 4.49Å; I163-F345 HydrophobicContact CG1-CZ 3.62Å
164	I	98.5	Very high	96.3	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-60.9	-42.1	173.4	-67.4	158.9	0	0	0	110.7	L115 I127 V132 Q135 M139 P160 E161 W162 E166 M167 A168 M254	L115-I164 HydrophobicContact CD1-CD1 4.47Å; L115-I164 HydrophobicContact CD1-CG1 4.11Å; I127-I164 HydrophobicContact CD1-CD1 4.28Å; V132-I164 HydrophobicContact CG1-CG1 4.27Å; Q135-I164 HydrophobicContact CB-CG2 3.72Å; M139-I164 HydrophobicContact SD-CG2 4.05Å; P160-I164 PolarHBondContact O-N 3.28Å; E161-I164 PolarHBondContact O-N 3.38Å; W162-I164 VanDerWaalsContact C-N 3.33Å; W162-I164 PolarHBondContact O-N 3.29Å; I164-E166 VanDerWaalsContact C-N 3.33Å; I164-E166 PolarHBondContact O-N 3.25Å; I164-M167 PolarHBondContact O-N 3.19Å; I164-A168 WeakPolarHBondContact O-CB 3.28Å; I164-A168 PolarHBondContact O-N 2.92Å; I164-M254 HydrophobicContact CG2-CE 4.05Å
165	S	98.1	Very high	96.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-39.2	174.8	-52.5	0	0	0	0	111.9	M139 E161 W162 I163 A168 C169 F229	M139-S165 WeakPolarHBondContact CE-OG 3.32Å; E161-S165 WeakPolarHBondContact O-CB 3.21Å; E161-S165 PolarHBondContact O-N 3.02Å; E161-S165 PolarHBondContact O-OG 3.18Å; W162-S165 WeakPolarHBondContact O-CB 3.4Å; W162-S165 PolarHBondContact O-N 2.96Å; I163-S165 VanDerWaalsContact C-N 3.3Å; I163-S165 PolarHBondContact O-N 3.05Å; S165-A168 WeakPolarHBondContact O-CB 3.32Å; S165-A168 PolarHBondContact O-N 2.96Å; S165-C169 PolarHBondContact O-N 2.82Å; S165-C169 VanDerWaalsContact O-N 3.09Å; S165-C169 PolarHBondContact O-SG 2.97Å; S165-F229 WeakPolarHBondContact OG-CE1 3.3Å; S165-F229 WeakPolarHBondContact OG-CZ 3.48Å
166	E	97.8	Very high	96.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-65.2	-46.5	176	-177.9	169	-102.9	0	0	112.3	W162 I163 I164 A168 C169 Y170 L176 R330	W162-E166 PolarHBondContact O-N 3.17Å; I163-E166 WeakPolarHBondContact O-CB 3.49Å; I163-E166 PolarHBondContact O-N 2.93Å; I164-E166 VanDerWaalsContact C-N 3.33Å; I164-E166 PolarHBondContact O-N 3.25Å; E166-A168 VanDerWaalsContact C-N 3.28Å; E166-A168 PolarHBondContact O-N 2.99Å; E166-C169 WeakPolarHBondContact O-CB 3.45Å; E166-C169 PolarHBondContact O-N 2.88Å; E166-C169 VanDerWaalsContact O-N 3.1Å; E166-Y170 HydrophobicContact CG-CD2 4.22Å; E166-Y170 HydrophobicContact CG-CE1 4.21Å; E166-Y170 HydrophobicContact CG-CE2 3.38Å; E166-Y170 VanDerWaalsContact CG-OH 3.29Å; E166-Y170 WeakPolarHBondContact CG-OH 3.41Å; E166-Y170 PolarHBondContact O-N 3.49Å; E166-Y170 VanDerWaalsContact O-N 3.09Å; E166-Y170 PolarHBondContact OE1-OH 3.11Å; E166-L176 HydrophobicContact CB-CD1 3.63Å; E166-L176 HydrophobicContact CG-CD1 3.98Å; E166-R330 WeakPolarHBondContact OE1-CD 3.47Å; E166-R330 IonicContact OE1-CZ 3.68Å; E166-R330 IonicContact OE1-NE 2.71Å; E166-R330 PolarHBondContact OE1-NE 3.27Å; E166-R330 IonicContact OE1-NH1 2.62Å; E166-R330 PolarHBondContact OE1-NH1 2.85Å; E166-R330 IonicContact OE1-NH2 2.69Å
167	M	98.1	Very high	96.8	Very high	5 Å²	5	9.8 Å²	9.8	3%	0.025	5%	0.052	C	C	.	.	H	α-helix	trans	-65.9	-32.5	176	-64.9	-58.4	154.1	0	0	111.6	F102 V132 A136 I163 I164 C169 Y170 T171 L334 Y337	F102-M167 HydrophobicContact CB-SD 4.01Å; F102-M167 HydrophobicContact CD2-CE 3.93Å; F102-M167 HydrophobicContact CD2-CG 4.37Å; F102-M167 HydrophobicContact CD2-SD 3.72Å; F102-M167 HydrophobicContact CE2-CG 4.46Å; F102-M167 HydrophobicContact CE2-SD 4.37Å; F102-M167 HydrophobicContact CG-SD 3.82Å; V132-M167 HydrophobicContact CG1-CG 4.39Å; A136-M167 HydrophobicContact CB-CB 3.71Å; I163-M167 HydrophobicContact CG2-CE 3.97Å; I163-M167 HydrophobicContact CG2-CG 4.15Å; I163-M167 WeakPolarHBondContact O-CB 3.49Å; I163-M167 VanDerWaalsContact O-CG 3.28Å; I163-M167 WeakPolarHBondContact O-CG 3.47Å; I163-M167 PolarHBondContact O-N 3.32Å; I164-M167 PolarHBondContact O-N 3.19Å; M167-C169 VanDerWaalsContact C-N 3.32Å; M167-Y170 HydrophobicContact CE-CD2 4.44Å; M167-Y170 HydrophobicContact CE-CE2 4.34Å; M167-Y170 PolarHBondContact O-N 2.81Å; M167-Y170 HydrophobicContact SD-CD2 3.89Å; M167-Y170 HydrophobicContact SD-CE2 4.36Å; M167-T171 WeakPolarHBondContact O-CB 3.48Å; M167-T171 PolarHBondContact O-N 2.78Å; M167-T171 PolarHBondContact O-OG1 3.05Å; M167-L334 HydrophobicContact CE-CD2 3.94Å; M167-Y337 HydrophobicContact CE-CD2 3.87Å; M167-Y337 HydrophobicContact CE-CE2 4.06Å
168	A	98	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.4	-41.7	171.3	0	0	0	0	0	111.2	A136 M139 M143 I164 S165 E166 T171 Y172	A136-A168 HydrophobicContact CB-CB 4.39Å; A136-A168 WeakPolarHBondContact O-CA 3.35Å; A136-A168 VanDerWaalsContact O-CB 3.27Å; A136-A168 WeakPolarHBondContact O-CB 3.33Å; M139-A168 HydrophobicContact CB-CB 4.08Å; M139-A168 HydrophobicContact CG-CB 4.24Å; M143-A168 HydrophobicContact SD-CB 4.3Å; I164-A168 WeakPolarHBondContact O-CB 3.28Å; I164-A168 PolarHBondContact O-N 2.92Å; S165-A168 WeakPolarHBondContact O-CB 3.32Å; S165-A168 PolarHBondContact O-N 2.96Å; E166-A168 VanDerWaalsContact C-N 3.28Å; E166-A168 PolarHBondContact O-N 2.99Å; A168-T171 PolarHBondContact O-N 3.33Å; A168-Y172 WeakPolarHBondContact O-CD2 3.34Å; A168-Y172 PolarHBondContact O-N 3.03Å
169	C	98.1	Very high	96.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.6	-50.7	175.3	-63.3	0	0	0	0	111.1	S165 E166 M167 T171 Y172 S173 M174 L176	S165-C169 PolarHBondContact O-N 2.82Å; S165-C169 VanDerWaalsContact O-N 3.09Å; S165-C169 PolarHBondContact O-SG 2.97Å; E166-C169 WeakPolarHBondContact O-CB 3.45Å; E166-C169 PolarHBondContact O-N 2.88Å; E166-C169 VanDerWaalsContact O-N 3.1Å; M167-C169 VanDerWaalsContact C-N 3.32Å; C169-T171 VanDerWaalsContact C-N 3.31Å; C169-T171 PolarHBondContact O-N 3.03Å; C169-Y172 CarbonylContact O-C 3.42Å; C169-Y172 PolarHBondContact O-N 2.82Å; C169-S173 PolarHBondContact O-N 3.39Å; C169-S173 VanDerWaalsContact O-N 3.12Å; C169-M174 CarbonylContact C-O 3.33Å; C169-M174 HydrophobicContact CB-CB 4.12Å; C169-M174 WeakPolarHBondContact CB-O 3.45Å; C169-M174 PolarHBondContact O-N 3.09Å; C169-L176 HydrophobicContact CB-CB 4.46Å
170	Y	97.3	Very high	96	Very high	1 Å²	1	7.4 Å²	7.4	0%	0.004	4%	0.038	C	C	.	.	H	α-helix	trans	-64.5	-32.5	-179.4	-56.8	-27.3	0	0	0	113.7	V98 E166 M167 Y172 P267 A273 H292 L334	V98-Y170 HydrophobicContact CB-CD2 4.07Å; V98-Y170 HydrophobicContact CB-CE2 4.07Å; V98-Y170 HydrophobicContact CB-CG 4.44Å; V98-Y170 HydrophobicContact CG1-CD2 3.63Å; V98-Y170 HydrophobicContact CG1-CE2 3.36Å; V98-Y170 HydrophobicContact CG1-CG 4.46Å; E166-Y170 HydrophobicContact CG-CD2 4.22Å; E166-Y170 HydrophobicContact CG-CE1 4.21Å; E166-Y170 HydrophobicContact CG-CE2 3.38Å; E166-Y170 VanDerWaalsContact CG-OH 3.29Å; E166-Y170 WeakPolarHBondContact CG-OH 3.41Å; E166-Y170 PolarHBondContact O-N 3.49Å; E166-Y170 VanDerWaalsContact O-N 3.09Å; E166-Y170 PolarHBondContact OE1-OH 3.11Å; M167-Y170 HydrophobicContact CE-CD2 4.44Å; M167-Y170 HydrophobicContact CE-CE2 4.34Å; M167-Y170 PolarHBondContact O-N 2.81Å; M167-Y170 HydrophobicContact SD-CD2 3.89Å; M167-Y170 HydrophobicContact SD-CE2 4.36Å; Y170-Y172 PolarHBondContact O-N 3.31Å; Y170-P267 VanDerWaalsContact O-CD 3.31Å; Y170-P267 WeakPolarHBondContact O-CD 3.04Å; Y170-A273 HydrophobicContact CD1-CB 4.46Å; Y170-A273 HydrophobicContact CE1-CB 3.85Å; Y170-A273 WeakPolarHBondContact CE1-O 3.19Å; Y170-H292 AromaticContact CD1-CE1 3.56Å; Y170-H292 AromaticContact CD1-NE2 3.94Å; Y170-H292 AromaticContact CG-CE1 3.9Å; Y170-L334 HydrophobicContact CE2-CD2 4.43Å
171	T	96.8	Very high	94.4	Very high	13 Å²	13	10.7 Å²	10.7	8%	0.08	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-24.4	178.7	-60.7	0	0	0	0	112.5	Y99 M167 A168 C169 P264 V265	Y99-T171 HydrophobicContact CE2-CG2 4.25Å; M167-T171 WeakPolarHBondContact O-CB 3.48Å; M167-T171 PolarHBondContact O-N 2.78Å; M167-T171 PolarHBondContact O-OG1 3.05Å; A168-T171 PolarHBondContact O-N 3.33Å; C169-T171 VanDerWaalsContact C-N 3.31Å; C169-T171 PolarHBondContact O-N 3.03Å; T171-P264 HydrophobicContact CG2-CB 3.82Å; T171-P264 HydrophobicContact CG2-CG 3.95Å; T171-P264 WeakPolarHBondContact O-CA 3.37Å; T171-V265 CarbonylContact O-C 3.49Å; T171-V265 PolarHBondContact O-N 2.96Å
172	Y	97.2	Very high	92.6	Very high	12 Å²	12	10.1 Å²	10.1	5%	0.047	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	22.5	-175.8	-66.6	-76.8	0	0	0	113.2	Q137 S141 I144 A168 C169 Y170 M174 K262 D263 V265	Q137-Y172 WeakPolarHBondContact CG-OH 3.24Å; Q137-Y172 PolarHBondContact O-OH 2.88Å; S141-Y172 PolarHBondContact OG-OH 3.19Å; I144-Y172 HydrophobicContact CD1-CD1 3.39Å; I144-Y172 HydrophobicContact CD1-CD2 4.36Å; I144-Y172 HydrophobicContact CD1-CE1 3.94Å; I144-Y172 HydrophobicContact CD1-CG 3.63Å; A168-Y172 WeakPolarHBondContact O-CD2 3.34Å; A168-Y172 PolarHBondContact O-N 3.03Å; C169-Y172 CarbonylContact O-C 3.42Å; C169-Y172 PolarHBondContact O-N 2.82Å; Y170-Y172 PolarHBondContact O-N 3.31Å; Y172-M174 PolarHBondContact O-N 3.17Å; Y172-M174 VanDerWaalsContact O-N 3.08Å; Y172-K262 HydrophobicContact CE1-CB 3.78Å; Y172-K262 WeakPolarHBondContact CE1-O 3.28Å; Y172-K262 PolarHBondContact OH-O 3.05Å; Y172-D263 WeakPolarHBondContact CE1-O 3.45Å; Y172-V265 CarbonylContact C-O 3.55Å; Y172-V265 HydrophobicContact CD1-CG2 4.48Å
173	S	96.4	Very high	91	Very high	34 Å²	34	12 Å²	12	24%	0.238	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	29.4	178.4	-58.6	0	0	0	0	114.4	C169 V265 L266 P267	C169-S173 PolarHBondContact O-N 3.39Å; C169-S173 VanDerWaalsContact O-N 3.12Å; S173-V265 PolarHBondContact N-O 3.21Å; S173-V265 PolarHBondContact OG-O 3.29Å; S173-L266 VanDerWaalsContact OG-C 3.31Å; S173-P267 WeakPolarHBondContact OG-CA 3.34Å; S173-P267 VanDerWaalsContact OG-N 3.17Å
174	M	97.6	Very high	89.6	Confident	3 Å²	3	13.5 Å²	13.5	2%	0.015	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-88.1	151.8	168.5	-62.5	-178.4	-81.8	0	0	109.4	M143 I144 C148 Q150 V152 C169 Y172	M143-M174 HydrophobicContact CB-CE 4.1Å; M143-M174 HydrophobicContact CB-SD 4.49Å; M143-M174 HydrophobicContact SD-CE 4.06Å; I144-M174 HydrophobicContact CG1-CE 4.5Å; C148-M174 HydrophobicContact CB-SD 4.18Å; Q150-M174 CarbonylContact O-C 3.54Å; Q150-M174 WeakPolarHBondContact O-CA 3.42Å; Q150-M174 WeakPolarHBondContact O-CB 3.45Å; V152-M174 HydrophobicContact CG2-SD 3.89Å; C169-M174 CarbonylContact C-O 3.33Å; C169-M174 HydrophobicContact CB-CB 4.12Å; C169-M174 WeakPolarHBondContact CB-O 3.45Å; C169-M174 PolarHBondContact O-N 3.09Å; Y172-M174 PolarHBondContact O-N 3.17Å; Y172-M174 VanDerWaalsContact O-N 3.08Å
175	A	97.8	Very high	88.8	Confident	1 Å²	1	17 Å²	17	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.4	175.4	0	0	0	0	0	111	Q150 F151 V152 L272 A273	Q150-A175 PolarHBondContact O-N 3.38Å; F151-A175 WeakPolarHBondContact CA-O 3.29Å; F151-A175 HydrophobicContact CD1-CB 3.73Å; F151-A175 HydrophobicContact CE1-CB 3.75Å; V152-A175 PolarHBondContact N-O 3.46Å; A175-L272 HydrophobicContact CB-CB 3.78Å; A175-A273 WeakPolarHBondContact CA-O 3.17Å
176	L	98.1	Very high	87.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.2	174.8	-174.9	143.2	0	0	0	110.6	V154 W162 E166 C169 P178 A273 V274 V275	V154-L176 HydrophobicContact CB-CD1 4.43Å; V154-L176 HydrophobicContact CG2-CD1 3.62Å; V154-L176 HydrophobicContact CG2-CG 4Å; W162-L176 HydrophobicContact CZ2-CD2 4.33Å; E166-L176 HydrophobicContact CB-CD1 3.63Å; E166-L176 HydrophobicContact CG-CD1 3.98Å; C169-L176 HydrophobicContact CB-CB 4.46Å; L176-P178 HydrophobicContact CD2-CB 4.06Å; L176-P178 HydrophobicContact CD2-CG 4.36Å; L176-A273 PolarHBondContact N-O 3.36Å; L176-V274 HydrophobicContact CD2-CG2 4.33Å; L176-V274 VanDerWaalsContact O-CA 3.28Å; L176-V274 WeakPolarHBondContact O-CA 3.35Å; L176-V274 WeakPolarHBondContact O-CG2 3.33Å; L176-V275 PolarHBondContact O-N 2.96Å
177	V	97.8	Very high	87	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	102.5	173.1	-173.7	0	0	0	0	108.6	F151 V152 G153 V154 L179 I191 M197 V275 F277	F151-V177 HydrophobicContact CB-CG2 3.91Å; F151-V177 HydrophobicContact CD1-CG2 3.71Å; F151-V177 HydrophobicContact CG-CG2 4.1Å; V152-V177 PolarHBondContact O-N 2.9Å; G153-V177 CarbonylContact C-O 3.07Å; G153-V177 WeakPolarHBondContact CA-O 3.4Å; V154-V177 PolarHBondContact N-O 3.2Å; V177-L179 HydrophobicContact CG1-CD2 4.46Å; V177-L179 PolarHBondContact O-N 3.19Å; V177-I191 HydrophobicContact CG1-CG2 4.04Å; V177-M197 HydrophobicContact CB-CE 4.21Å; V177-M197 HydrophobicContact CB-SD 3.74Å; V177-M197 HydrophobicContact CG1-CE 3.8Å; V177-M197 HydrophobicContact CG1-SD 4.02Å; V177-M197 HydrophobicContact CG2-SD 4Å; V177-V275 HydrophobicContact CG2-CB 4.3Å; V177-F277 HydrophobicContact CG1-CD2 3.95Å; V177-F277 HydrophobicContact CG1-CE2 3.68Å
178	P	94.1	Very high	86.4	Confident	5 Å²	5	26 Å²	26	3%	0.032	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.3	-179.3	31.9	-30.9	0	0	0	110.7	W162 L176 V274 V275 A325	W162-P178 HydrophobicContact CH2-CB 3.97Å; W162-P178 HydrophobicContact CZ2-CB 3.75Å; L176-P178 HydrophobicContact CD2-CB 4.06Å; L176-P178 HydrophobicContact CD2-CG 4.36Å; P178-V274 HydrophobicContact CG-CG2 4.34Å; P178-V275 VanDerWaalsContact CD-O 3.24Å; P178-V275 WeakPolarHBondContact CD-O 3.25Å; P178-A325 HydrophobicContact CB-CB 3.69Å; P178-A325 HydrophobicContact CG-CB 4.25Å
179	L	89.2	Confident	86	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.3	177.8	-61.6	-178.5	0	0	0	110.2	V154 Y155 V177 M188 I191 L192 M197 V200	V154-L179 WeakPolarHBondContact O-CB 3.38Å; V154-L179 PolarHBondContact O-N 3.42Å; Y155-L179 HydrophobicContact CD2-CB 3.96Å; Y155-L179 HydrophobicContact CG-CB 3.99Å; V177-L179 HydrophobicContact CG1-CD2 4.46Å; V177-L179 PolarHBondContact O-N 3.19Å; L179-M188 HydrophobicContact CB-CE 4.31Å; L179-M188 HydrophobicContact CB-SD 3.72Å; L179-M188 HydrophobicContact CD1-SD 4.29Å; L179-M188 HydrophobicContact CD2-CE 4.21Å; L179-M188 HydrophobicContact CD2-SD 3.88Å; L179-M188 HydrophobicContact CG-SD 4.16Å; L179-I191 HydrophobicContact CD2-CB 4.31Å; L179-I191 HydrophobicContact CD2-CG2 3.49Å; L179-I191 VanDerWaalsContact CD2-CG2 3.49Å; L179-L192 HydrophobicContact CD1-CD2 4.37Å; L179-M197 HydrophobicContact CD2-CE 4.03Å; L179-V200 HydrophobicContact CD1-CG1 3.77Å
180	Y	74.9	Confident	85.7	Confident	34 Å²	34	29.9 Å²	29.9	13%	0.133	17%	0.166	C	C	.	.			trans	-121.8	131.7	-169.6	-150	-62.2	0	0	0	111.9	T182 L183 M188 P323 A325 H326 P674	Y180-T182 VanDerWaalsContact C-N 3.26Å; Y180-T182 HydrophobicContact CD1-CG2 3.63Å; Y180-T182 WeakPolarHBondContact CD1-OG1 3.32Å; Y180-T182 HydrophobicContact CE1-CG2 3.36Å; Y180-T182 WeakPolarHBondContact CE1-OG1 3.49Å; Y180-T182 PolarHBondContact O-N 3.31Å; Y180-L183 PolarHBondContact O-N 2.86Å; Y180-M188 WeakPolarHBondContact O-CE 3.44Å; Y180-P323 HydrophobicContact CE2-CB 3.44Å; Y180-P323 VanDerWaalsContact CE2-CB 3.44Å; Y180-P323 HydrophobicContact CE2-CG 3.84Å; Y180-P323 WeakPolarHBondContact OH-CB 3.13Å; Y180-P323 WeakPolarHBondContact OH-CG 3.23Å; Y180-A325 HydrophobicContact CD2-CB 3.55Å; Y180-A325 HydrophobicContact CE2-CB 4.03Å; Y180-H326 AromaticContact CE2-NE2 3.74Å; Y180-P674 HydrophobicContact CD1-CB 4.4Å; Y180-P674 HydrophobicContact CD1-CG 3.52Å; Y180-P674 HydrophobicContact CD2-CB 4.05Å; Y180-P674 HydrophobicContact CD2-CG 3.68Å; Y180-P674 HydrophobicContact CE1-CB 3.78Å; Y180-P674 HydrophobicContact CE1-CG 3.28Å; Y180-P674 HydrophobicContact CE2-CB 3.27Å; Y180-P674 HydrophobicContact CE2-CG 3.36Å; Y180-P674 HydrophobicContact CG-CG 3.78Å; Y180-P674 VanDerWaalsContact OH-CA 3.28Å; Y180-P674 WeakPolarHBondContact OH-CA 3.42Å; Y180-P674 WeakPolarHBondContact OH-CB 3.42Å
181	D	63.9	Low	85.4	Confident	73 Å²	73	29.8 Å²	29.8	39%	0.39	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-51.4	-42.6	178.2	-73.8	-39.8	0	0	0	114.4	Y155 L183 G184 R207	Y155-D181 HydrophobicContact CE2-CB 4.41Å; Y155-D181 WeakPolarHBondContact CE2-OD1 3.49Å; Y155-D181 PolarHBondContact OH-OD1 3.45Å; D181-L183 VanDerWaalsContact C-N 3.33Å; D181-L183 PolarHBondContact O-N 3.37Å; D181-G184 PolarHBondContact O-N 3.49Å; D181-R207 IonicContact OD1-CZ 3.93Å; D181-R207 IonicContact OD1-NE 3.43Å; D181-R207 PolarHBondContact OD1-NE 2.88Å; D181-R207 IonicContact OD1-NH2 3.89Å; D181-R207 PolarHBondContact OD1-NH2 3.33Å; D181-R207 IonicContact OD2-CZ 3.99Å; D181-R207 IonicContact OD2-NE 2.91Å; D181-R207 IonicContact OD2-NH2 3.77Å; D181-R207 PolarHBondContact OD2-NH2 2.96Å
182	T	59.7	Low	85.4	Confident	24 Å²	24	29.2 Å²	29.2	15%	0.147	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-79.5	-11.9	-169.7	68.4	0	0	0	0	115.1	Y180 G184 I667 P674 R679	Y180-T182 VanDerWaalsContact C-N 3.26Å; Y180-T182 HydrophobicContact CD1-CG2 3.63Å; Y180-T182 WeakPolarHBondContact CD1-OG1 3.32Å; Y180-T182 HydrophobicContact CE1-CG2 3.36Å; Y180-T182 WeakPolarHBondContact CE1-OG1 3.49Å; Y180-T182 PolarHBondContact O-N 3.31Å; T182-G184 PolarHBondContact O-N 2.9Å; T182-I667 HydrophobicContact CG2-CB 4.41Å; T182-I667 HydrophobicContact CG2-CG2 3.01Å; T182-P674 HydrophobicContact CG2-CG 4.37Å; T182-P674 VanDerWaalsContact OG1-CD 3.24Å; T182-P674 WeakPolarHBondContact OG1-CD 3.28Å; T182-P674 WeakPolarHBondContact OG1-CG 3.4Å; T182-R679 PolarHBondContact O-NH1 3.13Å
183	L	63.6	Low	85.3	Confident	41 Å²	41	31.6 Å²	31.6	22%	0.215	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-70.6	-24	175.3	-72	171	0	0	0	110.4	Y180 D181 A187 M188 I191 P285	Y180-L183 PolarHBondContact O-N 2.86Å; D181-L183 VanDerWaalsContact C-N 3.33Å; D181-L183 PolarHBondContact O-N 3.37Å; L183-A187 HydrophobicContact CB-CB 3.68Å; L183-A187 WeakPolarHBondContact O-CB 3.32Å; L183-M188 HydrophobicContact CB-CE 3.69Å; L183-M188 HydrophobicContact CD1-CE 3.49Å; L183-M188 VanDerWaalsContact CD1-CE 3.49Å; L183-M188 HydrophobicContact CG-CE 4.2Å; L183-I191 HydrophobicContact CD1-CD1 3.83Å; L183-P285 HydrophobicContact CD2-CG 4.1Å
184	G	69.3	Low	85.2	Confident	32 Å²	32	31.8 Å²	31.8	33%	0.33	17%	0.173	S	C	.	.			trans	79.1	166.1	-177.7	0	0	0	0	0	112.8	D181 T182 E186 A187 M188	D181-G184 PolarHBondContact O-N 3.49Å; T182-G184 PolarHBondContact O-N 2.9Å; G184-E186 PolarHBondContact O-N 3.23Å; G184-A187 PolarHBondContact O-N 2.95Å; G184-M188 WeakPolarHBondContact O-CG 3.22Å; G184-M188 PolarHBondContact O-N 3.45Å; G184-M188 VanDerWaalsContact O-N 3.09Å
185	T	80.3	Confident	85.1	Confident	74 Å²	74	31.8 Å²	31.8	45%	0.454	17%	0.174	S	C	.	.	H	α-helix	trans	-61.2	-41	-171.9	-48.6	0	0	0	0	113.1	A187 M188 V189 C214	T185-A187 VanDerWaalsContact C-N 3.32Å; T185-A187 PolarHBondContact O-N 3.39Å; T185-M188 WeakPolarHBondContact O-CB 3.06Å; T185-M188 PolarHBondContact O-N 2.93Å; T185-M188 VanDerWaalsContact O-N 3.17Å; T185-V189 WeakPolarHBondContact O-CG2 3.47Å; T185-V189 PolarHBondContact O-N 2.92Å; T185-C214 VanDerWaalsContact CG2-SG 3.55Å
186	E	79.6	Confident	85	Confident	176 Å²	176	36.9 Å²	36.9	82%	0.822	20%	0.198	S	C	*	.	H	α-helix	trans	-61.1	-41.7	179.9	-65.7	-176.4	173.2	0	0	112.4	G184 V189 H190	G184-E186 PolarHBondContact O-N 3.23Å; E186-V189 PolarHBondContact O-N 3.42Å; E186-H190 PolarHBondContact O-N 3.31Å
187	A	78.8	Confident	84.9	Confident	11 Å²	11	37 Å²	37	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-39.8	175.8	0	0	0	0	0	111.6	L183 G184 T185 H190 I191 P285	L183-A187 HydrophobicContact CB-CB 3.68Å; L183-A187 WeakPolarHBondContact O-CB 3.32Å; G184-A187 PolarHBondContact O-N 2.95Å; T185-A187 VanDerWaalsContact C-N 3.32Å; T185-A187 PolarHBondContact O-N 3.39Å; A187-H190 WeakPolarHBondContact O-CB 3.45Å; A187-H190 PolarHBondContact O-N 3.18Å; A187-I191 WeakPolarHBondContact O-CB 3.49Å; A187-I191 WeakPolarHBondContact O-CD1 3.44Å; A187-I191 WeakPolarHBondContact O-CG1 3.49Å; A187-I191 PolarHBondContact O-N 2.96Å; A187-P285 HydrophobicContact CB-CG 3.83Å
188	M	85.6	Confident	84.8	Confident	8 Å²	8	38.5 Å²	38.5	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-48	174.6	-70.3	-63	104.4	0	0	111.6	L179 Y180 L183 G184 T185 H190 I191 L192	L179-M188 HydrophobicContact CB-CE 4.31Å; L179-M188 HydrophobicContact CB-SD 3.72Å; L179-M188 HydrophobicContact CD1-SD 4.29Å; L179-M188 HydrophobicContact CD2-CE 4.21Å; L179-M188 HydrophobicContact CD2-SD 3.88Å; L179-M188 HydrophobicContact CG-SD 4.16Å; Y180-M188 WeakPolarHBondContact O-CE 3.44Å; L183-M188 HydrophobicContact CB-CE 3.69Å; L183-M188 HydrophobicContact CD1-CE 3.49Å; L183-M188 VanDerWaalsContact CD1-CE 3.49Å; L183-M188 HydrophobicContact CG-CE 4.2Å; G184-M188 WeakPolarHBondContact O-CG 3.22Å; G184-M188 PolarHBondContact O-N 3.45Å; G184-M188 VanDerWaalsContact O-N 3.09Å; T185-M188 WeakPolarHBondContact O-CB 3.06Å; T185-M188 PolarHBondContact O-N 2.93Å; T185-M188 VanDerWaalsContact O-N 3.17Å; M188-H190 VanDerWaalsContact C-N 3.32Å; M188-H190 PolarHBondContact O-N 3.36Å; M188-I191 HydrophobicContact CE-CD1 3.76Å; M188-I191 PolarHBondContact O-N 2.83Å; M188-L192 WeakPolarHBondContact O-CB 3.32Å; M188-L192 WeakPolarHBondContact O-CD1 3.4Å; M188-L192 VanDerWaalsContact O-CG 3.27Å; M188-L192 WeakPolarHBondContact O-CG 3.44Å; M188-L192 PolarHBondContact O-N 3.35Å
189	V	91	Very high	85	Confident	26 Å²	26	38.3 Å²	38.3	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-57.3	-46.7	175.7	171.1	0	0	0	0	110.8	T185 E186 I191 L192 N193 C214 T220	T185-V189 WeakPolarHBondContact O-CG2 3.47Å; T185-V189 PolarHBondContact O-N 2.92Å; E186-V189 PolarHBondContact O-N 3.42Å; V189-I191 VanDerWaalsContact C-N 3.35Å; V189-I191 PolarHBondContact O-N 3.19Å; V189-L192 PolarHBondContact O-N 2.9Å; V189-N193 WeakPolarHBondContact O-CB 3.38Å; V189-N193 VanDerWaalsContact O-CG 3.32Å; V189-N193 PolarHBondContact O-N 2.9Å; V189-N193 PolarHBondContact O-ND2 2.76Å; V189-C214 HydrophobicContact CG2-CB 4.15Å; V189-T220 HydrophobicContact CB-CG2 4.23Å; V189-T220 HydrophobicContact CG1-CG2 4.14Å; V189-T220 HydrophobicContact CG2-CG2 3.98Å
190	H	90.1	Very high	85.4	Confident	56 Å²	56	38.1 Å²	38.1	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-46.4	177.5	177.3	57	0	0	0	112.1	E186 A187 M188 N193 L194 P285	E186-H190 PolarHBondContact O-N 3.31Å; A187-H190 WeakPolarHBondContact O-CB 3.45Å; A187-H190 PolarHBondContact O-N 3.18Å; M188-H190 VanDerWaalsContact C-N 3.32Å; M188-H190 PolarHBondContact O-N 3.36Å; H190-N193 PolarHBondContact O-N 2.92Å; H190-L194 VanDerWaalsContact O-CB 3.27Å; H190-L194 WeakPolarHBondContact O-CB 3.49Å; H190-L194 PolarHBondContact O-N 2.85Å; H190-P285 PolarHBondContact NE2-O 3.49Å
191	I	92.7	Very high	86.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-49.4	-179.2	-69.8	166.4	0	0	0	111.3	V177 L179 L183 A187 M188 V189 N193 L194 A195 M197 F277 P285	V177-I191 HydrophobicContact CG1-CG2 4.04Å; L179-I191 HydrophobicContact CD2-CB 4.31Å; L179-I191 HydrophobicContact CD2-CG2 3.49Å; L179-I191 VanDerWaalsContact CD2-CG2 3.49Å; L183-I191 HydrophobicContact CD1-CD1 3.83Å; A187-I191 WeakPolarHBondContact O-CB 3.49Å; A187-I191 WeakPolarHBondContact O-CD1 3.44Å; A187-I191 WeakPolarHBondContact O-CG1 3.49Å; A187-I191 PolarHBondContact O-N 2.96Å; M188-I191 HydrophobicContact CE-CD1 3.76Å; M188-I191 PolarHBondContact O-N 2.83Å; V189-I191 VanDerWaalsContact C-N 3.35Å; V189-I191 PolarHBondContact O-N 3.19Å; I191-N193 VanDerWaalsContact C-N 3.28Å; I191-N193 PolarHBondContact O-N 3.11Å; I191-L194 PolarHBondContact O-N 2.88Å; I191-A195 WeakPolarHBondContact O-CB 3.4Å; I191-A195 PolarHBondContact O-N 2.81Å; I191-M197 HydrophobicContact CG2-CE 3.59Å; I191-F277 HydrophobicContact CB-CD2 4.46Å; I191-F277 HydrophobicContact CB-CE1 4.33Å; I191-F277 HydrophobicContact CB-CE2 4.3Å; I191-F277 HydrophobicContact CB-CZ 4.21Å; I191-F277 HydrophobicContact CD1-CB 3.86Å; I191-F277 HydrophobicContact CD1-CD1 4.09Å; I191-F277 HydrophobicContact CD1-CD2 4.22Å; I191-F277 HydrophobicContact CD1-CG 3.78Å; I191-F277 HydrophobicContact CG1-CB 4.28Å; I191-F277 HydrophobicContact CG1-CD1 3.54Å; I191-F277 HydrophobicContact CG1-CD2 4.01Å; I191-F277 HydrophobicContact CG1-CE1 3.72Å; I191-F277 HydrophobicContact CG1-CE2 4.21Å; I191-F277 HydrophobicContact CG1-CG 3.66Å; I191-F277 HydrophobicContact CG1-CZ 4.05Å; I191-F277 HydrophobicContact CG2-CD2 3.69Å; I191-F277 HydrophobicContact CG2-CE1 4.32Å; I191-F277 HydrophobicContact CG2-CE2 3.44Å; I191-F277 VanDerWaalsContact CG2-CE2 3.44Å; I191-F277 HydrophobicContact CG2-CG 4.25Å; I191-F277 HydrophobicContact CG2-CZ 3.76Å; I191-P285 HydrophobicContact CD1-CB 4.38Å; I191-P285 HydrophobicContact CD1-CG 4.47Å
192	L	95	Very high	88	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-42.5	179.3	-72.2	161.1	0	0	0	111.5	L179 M188 V189 E196 M197 V200 L211 T220 V223	L179-L192 HydrophobicContact CD1-CD2 4.37Å; M188-L192 WeakPolarHBondContact O-CB 3.32Å; M188-L192 WeakPolarHBondContact O-CD1 3.4Å; M188-L192 VanDerWaalsContact O-CG 3.27Å; M188-L192 WeakPolarHBondContact O-CG 3.44Å; M188-L192 PolarHBondContact O-N 3.35Å; V189-L192 PolarHBondContact O-N 2.9Å; L192-E196 WeakPolarHBondContact O-CA 3.46Å; L192-E196 PolarHBondContact O-N 3.19Å; L192-M197 HydrophobicContact CB-CE 4.48Å; L192-M197 HydrophobicContact CD2-CB 4.05Å; L192-M197 HydrophobicContact CD2-CE 3.69Å; L192-M197 HydrophobicContact CD2-SD 4.42Å; L192-M197 HydrophobicContact CG-CE 4.14Å; L192-M197 PolarHBondContact O-N 2.71Å; L192-V200 HydrophobicContact CD2-CG2 3.55Å; L192-L211 HydrophobicContact CD1-CD2 3.85Å; L192-T220 HydrophobicContact CB-CG2 4.06Å; L192-T220 HydrophobicContact CD1-CG2 3.77Å; L192-V223 HydrophobicContact CD1-CG2 4.5Å; L192-V223 HydrophobicContact CD2-CG2 4.03Å
193	N	95.7	Very high	89.6	Confident	61 Å²	61	32 Å²	32	33%	0.326	18%	0.175	S	C	.	.	H	α-helix	trans	-73.8	-40.7	178.7	-70.9	-26.5	0	0	0	112.6	V189 H190 I191 E196 T219	V189-N193 WeakPolarHBondContact O-CB 3.38Å; V189-N193 VanDerWaalsContact O-CG 3.32Å; V189-N193 PolarHBondContact O-N 2.9Å; V189-N193 PolarHBondContact O-ND2 2.76Å; H190-N193 PolarHBondContact O-N 2.92Å; I191-N193 VanDerWaalsContact C-N 3.28Å; I191-N193 PolarHBondContact O-N 3.11Å; N193-E196 WeakPolarHBondContact O-CG 3.45Å; N193-E196 PolarHBondContact O-N 3.04Å; N193-T219 PolarHBondContact ND2-O 2.76Å; N193-T219 PolarHBondContact OD1-O 2.81Å
194	L	95.4	Very high	91.1	Very high	38 Å²	38	35.9 Å²	35.9	20%	0.199	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-45.1	-179.4	-170.2	69.4	0	0	0	111.3	H190 I191 E196 F277 L522 K523	H190-L194 VanDerWaalsContact O-CB 3.27Å; H190-L194 WeakPolarHBondContact O-CB 3.49Å; H190-L194 PolarHBondContact O-N 2.85Å; I191-L194 PolarHBondContact O-N 2.88Å; L194-E196 VanDerWaalsContact C-N 3.27Å; L194-E196 PolarHBondContact O-N 3.01Å; L194-F277 HydrophobicContact CD2-CE1 3.77Å; L194-F277 HydrophobicContact CD2-CZ 4.07Å; L194-L522 HydrophobicContact CG-CD2 4.38Å; L194-K523 HydrophobicContact CD1-CB 4.04Å; L194-K523 HydrophobicContact CD1-CD 4.36Å; L194-K523 WeakPolarHBondContact O-CD 3.38Å; L194-K523 WeakPolarHBondContact O-CE 3.2Å; L194-K523 PolarHBondContact O-NZ 3.18Å
195	A	95.4	Very high	92.3	Very high	4 Å²	4	37 Å²	37	3%	0.033	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	1	176.5	0	0	0	0	0	113.6	F151 I191 M197 L522	F151-A195 HydrophobicContact CD2-CB 4.31Å; F151-A195 VanDerWaalsContact CD2-O 3.32Å; F151-A195 WeakPolarHBondContact CD2-O 3.47Å; F151-A195 HydrophobicContact CG-CB 4.42Å; I191-A195 WeakPolarHBondContact O-CB 3.4Å; I191-A195 PolarHBondContact O-N 2.81Å; A195-M197 HydrophobicContact CB-CE 4.18Å; A195-M197 HydrophobicContact CB-CG 3.8Å; A195-M197 HydrophobicContact CB-SD 4.41Å; A195-M197 PolarHBondContact O-N 3.01Å; A195-M197 VanDerWaalsContact O-N 3.14Å; A195-L522 HydrophobicContact CB-CD2 3.94Å
196	E	95	Very high	93	Very high	108 Å²	108	39.8 Å²	39.8	51%	0.505	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	40.9	-179.2	-63.9	179	111.2	0	0	113.3	L192 N193 L194 S198 K523	L192-E196 WeakPolarHBondContact O-CA 3.46Å; L192-E196 PolarHBondContact O-N 3.19Å; N193-E196 WeakPolarHBondContact O-CG 3.45Å; N193-E196 PolarHBondContact O-N 3.04Å; L194-E196 VanDerWaalsContact C-N 3.27Å; L194-E196 PolarHBondContact O-N 3.01Å; E196-S198 PolarHBondContact O-N 3.47Å; E196-K523 VanDerWaalsContact CD-NZ 3.32Å; E196-K523 IonicContact OE2-NZ 2.67Å; E196-K523 PolarHBondContact OE2-NZ 2.55Å
197	M	95.3	Very high	93.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.159	C	C	.	.			trans	-69.7	129.4	-170.8	-74.6	-169.8	-83.6	0	0	112.1	F151 G153 V177 L179 I191 L192 A195 K222 V223	F151-M197 HydrophobicContact CB-CG 3.99Å; G153-M197 VanDerWaalsContact CA-SD 3.58Å; V177-M197 HydrophobicContact CB-CE 4.21Å; V177-M197 HydrophobicContact CB-SD 3.74Å; V177-M197 HydrophobicContact CG1-CE 3.8Å; V177-M197 HydrophobicContact CG1-SD 4.02Å; V177-M197 HydrophobicContact CG2-SD 4Å; L179-M197 HydrophobicContact CD2-CE 4.03Å; I191-M197 HydrophobicContact CG2-CE 3.59Å; L192-M197 HydrophobicContact CB-CE 4.48Å; L192-M197 HydrophobicContact CD2-CB 4.05Å; L192-M197 HydrophobicContact CD2-CE 3.69Å; L192-M197 HydrophobicContact CD2-SD 4.42Å; L192-M197 HydrophobicContact CG-CE 4.14Å; L192-M197 PolarHBondContact O-N 2.71Å; A195-M197 HydrophobicContact CB-CE 4.18Å; A195-M197 HydrophobicContact CB-CG 3.8Å; A195-M197 HydrophobicContact CB-SD 4.41Å; A195-M197 PolarHBondContact O-N 3.01Å; A195-M197 VanDerWaalsContact O-N 3.14Å; M197-K222 CarbonylContact O-C 3.56Å; M197-V223 PolarHBondContact O-N 3.49Å
198	S	96.5	Very high	94.3	Very high	31 Å²	31	32.5 Å²	32.5	22%	0.217	15%	0.154	C	C	.	.			trans	-97.5	-32.2	174.2	59.4	0	0	0	0	113.5	E196 K222 S224 C225	E196-S198 PolarHBondContact O-N 3.47Å; S198-K222 WeakPolarHBondContact CA-O 3.36Å; S198-S224 PolarHBondContact O-N 3.39Å; S198-C225 PolarHBondContact O-N 3.41Å
199	L	97.9	Very high	94.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.9	-176.7	-171	151.6	0	0	0	110.9	M143 K146 C148 V152 G153 V201 C225 V227	M143-L199 HydrophobicContact CB-CD1 4.26Å; M143-L199 HydrophobicContact CG-CD1 4.12Å; M143-L199 HydrophobicContact CG-CD2 4.39Å; K146-L199 HydrophobicContact CB-CD1 4.16Å; C148-L199 HydrophobicContact CB-CB 4.39Å; C148-L199 HydrophobicContact CB-CD1 4.33Å; V152-L199 HydrophobicContact CG1-CD2 3.88Å; G153-L199 PolarHBondContact N-O 3.07Å; G153-L199 VanDerWaalsContact N-O 3.11Å; L199-V201 HydrophobicContact CD2-CG2 3.86Å; L199-C225 WeakPolarHBondContact CA-O 3.46Å; L199-C225 HydrophobicContact CB-CB 4.38Å; L199-C225 HydrophobicContact CD1-CB 4.3Å; L199-C225 HydrophobicContact CG-CB 4.21Å; L199-V227 HydrophobicContact CD1-CG2 4.35Å; L199-V227 HydrophobicContact CD2-CG2 4.31Å; L199-V227 HydrophobicContact CG-CG2 4.35Å
200	V	97.6	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127	173.6	-171	0	0	0	0	110.4	G153 L179 L192 L211 C225 L226 V227	G153-V200 CarbonylContact O-C 3.44Å; G153-V200 WeakPolarHBondContact O-CA 3.27Å; L179-V200 HydrophobicContact CD1-CG1 3.77Å; L192-V200 HydrophobicContact CD2-CG2 3.55Å; V200-L211 HydrophobicContact CB-CD1 4.01Å; V200-L211 HydrophobicContact CG1-CD1 3.62Å; V200-L211 HydrophobicContact CG2-CD1 4.26Å; V200-C225 PolarHBondContact N-O 2.89Å; V200-L226 HydrophobicContact CB-CD2 4Å; V200-L226 WeakPolarHBondContact O-CA 3.37Å; V200-V227 PolarHBondContact O-N 2.81Å
201	V	97.4	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.6	172.4	-170.1	0	0	0	0	109	M139 M143 V152 G153 V154 Y155 L199 V227 F229	M139-V201 HydrophobicContact CE-CG1 4.13Å; M139-V201 HydrophobicContact CE-CG2 4.13Å; M143-V201 HydrophobicContact CE-CG2 3.89Å; V152-V201 HydrophobicContact CG1-CG2 4.06Å; G153-V201 PolarHBondContact O-N 2.97Å; V154-V201 CarbonylContact C-O 3.55Å; V154-V201 WeakPolarHBondContact CA-O 3.23Å; V154-V201 HydrophobicContact CG1-CB 4.48Å; V154-V201 HydrophobicContact CG2-CB 4.4Å; Y155-V201 PolarHBondContact N-O 2.97Å; L199-V201 HydrophobicContact CD2-CG2 3.86Å; V201-V227 CarbonylContact C-O 3.54Å; V201-V227 VanDerWaalsContact CA-O 3.25Å; V201-V227 WeakPolarHBondContact CA-O 3.39Å; V201-V227 HydrophobicContact CG1-CB 4.38Å; V201-V227 HydrophobicContact CG1-CG1 4.39Å; V201-V227 HydrophobicContact CG2-CB 4.25Å; V201-F229 HydrophobicContact CG1-CD1 3.88Å; V201-F229 HydrophobicContact CG1-CE1 3.22Å; V201-F229 HydrophobicContact CG1-CE2 4.2Å; V201-F229 HydrophobicContact CG1-CZ 3.42Å; V201-F229 VanDerWaalsContact CG1-CZ 3.42Å
202	C	96.6	Very high	95.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.6	180	-61.3	0	0	0	0	110.2	Y155 A208 V227 L228 F229	Y155-C202 WeakPolarHBondContact O-CA 3.28Å; C202-A208 HydrophobicContact CB-CB 4.15Å; C202-V227 PolarHBondContact N-O 2.76Å; C202-L228 HydrophobicContact CB-CG 4.43Å; C202-L228 CarbonylContact O-C 3.54Å; C202-L228 VanDerWaalsContact O-CA 3.3Å; C202-L228 WeakPolarHBondContact O-CA 3.22Å; C202-F229 PolarHBondContact O-N 3.39Å
203	D	93.4	Very high	95.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.175	C	C	.	.	S	Bend	trans	-75.8	-42	172.8	70.4	-32.9	0	0	0	113.5	Y155 P157 R207 F229 N230	Y155-D203 PolarHBondContact O-N 3.32Å; P157-D203 WeakPolarHBondContact CD-OD2 3.47Å; D203-R207 WeakPolarHBondContact OD1-CD 3.35Å; D203-R207 IonicContact OD1-CZ 3.07Å; D203-R207 IonicContact OD1-NE 3.15Å; D203-R207 IonicContact OD1-NH1 3.69Å; D203-R207 PolarHBondContact OD1-NH1 3.5Å; D203-R207 IonicContact OD2-CZ 3.28Å; D203-R207 IonicContact OD2-NH1 2.71Å; D203-R207 PolarHBondContact OD2-NH1 2.94Å; D203-F229 HydrophobicContact CB-CD2 4.07Å; D203-N230 VanDerWaalsContact O-CB 3.28Å; D203-N230 WeakPolarHBondContact O-CB 3.46Å; D203-N230 VanDerWaalsContact O-CG 3.26Å; D203-N230 PolarHBondContact O-N 2.96Å; D203-N230 VanDerWaalsContact O-N 3.08Å; D203-N230 PolarHBondContact O-OD1 3.4Å
204	R	93.8	Very high	95.2	Very high	122 Å²	122	33.7 Å²	33.7	46%	0.46	16%	0.162	S	C	.	.	S	Bend	trans	-143.6	162.9	-168.4	-64.8	179.6	-113.1	-169.7	-6.7	112.6	E206 R207 A208 N230	R204-E206 VanDerWaalsContact C-N 3.3Å; R204-E206 VanDerWaalsContact CB-OE2 3.25Å; R204-E206 WeakPolarHBondContact CB-OE2 3.34Å; R204-E206 PolarHBondContact O-N 3.11Å; R204-R207 PolarHBondContact O-N 3.27Å; R204-A208 PolarHBondContact O-N 3.12Å; R204-N230 HydrophobicContact CG-CB 4.44Å
205	E	96.4	Very high	95.2	Very high	55 Å²	55	33.6 Å²	33.6	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-56.1	-40.3	-178.9	-174.7	173.1	135.5	0	0	112.8	R207 A208 A209 L228 F232 S233 F236	E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 2.83Å; E205-A208 PolarHBondContact O-N 2.71Å; E205-A209 VanDerWaalsContact O-CB 3.25Å; E205-A209 WeakPolarHBondContact O-CB 3.18Å; E205-A209 PolarHBondContact O-N 2.74Å; E205-L228 HydrophobicContact CB-CD2 4.31Å; E205-F232 WeakPolarHBondContact OE2-CA 3.49Å; E205-S233 PolarHBondContact OE1-OG 3.17Å; E205-S233 VanDerWaalsContact OE1-OG 3.05Å; E205-S233 WeakPolarHBondContact OE2-CB 3.44Å; E205-S233 PolarHBondContact OE2-N 2.97Å; E205-S233 PolarHBondContact OE2-OG 2.88Å; E205-S233 VanDerWaalsContact OE2-OG 3.06Å; E205-F236 VanDerWaalsContact CD-CB 3.47Å; E205-F236 HydrophobicContact CG-CB 4.02Å; E205-F236 HydrophobicContact CG-CD1 4.1Å; E205-F236 HydrophobicContact CG-CD2 3.81Å; E205-F236 HydrophobicContact CG-CE2 4.33Å; E205-F236 HydrophobicContact CG-CG 3.69Å; E205-F236 WeakPolarHBondContact OE1-CB 3.22Å
206	E	93.4	Very high	95.2	Very high	134 Å²	134	37.5 Å²	37.5	63%	0.626	18%	0.178	S	C	*	.	H	α-helix	trans	-62.5	-39.3	-175.9	-58.3	81.2	-176.5	0	0	111.9	R204 L210	R204-E206 VanDerWaalsContact C-N 3.3Å; R204-E206 VanDerWaalsContact CB-OE2 3.25Å; R204-E206 WeakPolarHBondContact CB-OE2 3.34Å; R204-E206 PolarHBondContact O-N 3.11Å; E206-L210 PolarHBondContact O-N 3.26Å
207	R	91.4	Very high	95.3	Very high	34 Å²	34	38.9 Å²	38.9	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-71.6	-42.8	175.8	-75.1	-163.2	-177.8	116.8	2.4	112.1	Y155 D181 D203 R204 E205 A209 L210 L211	Y155-R207 HydrophobicContact CD1-CB 3.92Å; Y155-R207 HydrophobicContact CD1-CG 4.31Å; Y155-R207 HydrophobicContact CE1-CB 3.76Å; Y155-R207 HydrophobicContact CE1-CG 3.85Å; D181-R207 IonicContact OD1-CZ 3.93Å; D181-R207 IonicContact OD1-NE 3.43Å; D181-R207 PolarHBondContact OD1-NE 2.88Å; D181-R207 IonicContact OD1-NH2 3.89Å; D181-R207 PolarHBondContact OD1-NH2 3.33Å; D181-R207 IonicContact OD2-CZ 3.99Å; D181-R207 IonicContact OD2-NE 2.91Å; D181-R207 IonicContact OD2-NH2 3.77Å; D181-R207 PolarHBondContact OD2-NH2 2.96Å; D203-R207 WeakPolarHBondContact OD1-CD 3.35Å; D203-R207 IonicContact OD1-CZ 3.07Å; D203-R207 IonicContact OD1-NE 3.15Å; D203-R207 IonicContact OD1-NH1 3.69Å; D203-R207 PolarHBondContact OD1-NH1 3.5Å; D203-R207 IonicContact OD2-CZ 3.28Å; D203-R207 IonicContact OD2-NH1 2.71Å; D203-R207 PolarHBondContact OD2-NH1 2.94Å; R204-R207 PolarHBondContact O-N 3.27Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 2.83Å; R207-A209 PolarHBondContact O-N 2.78Å; R207-L210 WeakPolarHBondContact O-CB 3.25Å; R207-L210 PolarHBondContact O-N 3.29Å; R207-L211 PolarHBondContact O-N 3.26Å
208	A	95.6	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-35.6	176.7	0	0	0	0	0	111.4	C202 R204 E205 L210 L211 L212 L226 L228 F236	C202-A208 HydrophobicContact CB-CB 4.15Å; R204-A208 PolarHBondContact O-N 3.12Å; E205-A208 PolarHBondContact O-N 2.71Å; A208-L210 PolarHBondContact O-N 2.74Å; A208-L211 PolarHBondContact O-N 2.81Å; A208-L212 WeakPolarHBondContact O-CB 3.1Å; A208-L212 PolarHBondContact O-N 2.85Å; A208-L226 HydrophobicContact CB-CD1 4.26Å; A208-L228 HydrophobicContact CB-CD1 3.86Å; A208-L228 HydrophobicContact CB-CD2 3.99Å; A208-L228 HydrophobicContact CB-CG 4.1Å; A208-F236 HydrophobicContact CB-CE1 4.12Å; A208-F236 HydrophobicContact CB-CZ 3.62Å
209	A	95.4	Very high	95.2	Very high	20 Å²	20	42.4 Å²	42.4	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-34.9	176.9	0	0	0	0	0	113.2	E205 R207 L211 L212 E213 F236	E205-A209 VanDerWaalsContact O-CB 3.25Å; E205-A209 WeakPolarHBondContact O-CB 3.18Å; E205-A209 PolarHBondContact O-N 2.74Å; R207-A209 PolarHBondContact O-N 2.78Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L212 PolarHBondContact O-N 3.31Å; A209-E213 WeakPolarHBondContact O-CB 3.07Å; A209-E213 PolarHBondContact O-N 3.21Å; A209-F236 HydrophobicContact CB-CD2 4.47Å; A209-F236 HydrophobicContact CB-CE2 3.95Å
210	L	92.1	Very high	95.1	Very high	68 Å²	68	42.4 Å²	42.4	36%	0.356	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-41	172.9	-67.1	171.2	0	0	0	111.6	E206 R207 A208 C214	E206-L210 PolarHBondContact O-N 3.26Å; R207-L210 WeakPolarHBondContact O-CB 3.25Å; R207-L210 PolarHBondContact O-N 3.29Å; A208-L210 PolarHBondContact O-N 2.74Å; L210-C214 PolarHBondContact O-N 2.88Å; L210-C214 PolarHBondContact O-SG 3.1Å
211	L	94.8	Very high	94.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-71.1	-38.7	177.6	-57.2	-172.1	0	0	0	111.6	Y155 L192 V200 R207 A208 A209 C214 K215 L226	Y155-L211 HydrophobicContact CD1-CD1 4.34Å; L192-L211 HydrophobicContact CD1-CD2 3.85Å; V200-L211 HydrophobicContact CB-CD1 4.01Å; V200-L211 HydrophobicContact CG1-CD1 3.62Å; V200-L211 HydrophobicContact CG2-CD1 4.26Å; R207-L211 PolarHBondContact O-N 3.26Å; A208-L211 PolarHBondContact O-N 2.81Å; A209-L211 VanDerWaalsContact C-N 3.33Å; L211-C214 WeakPolarHBondContact O-CB 3.27Å; L211-C214 PolarHBondContact O-N 3.38Å; L211-K215 PolarHBondContact O-N 3.42Å; L211-L226 HydrophobicContact CB-CD2 4.34Å; L211-L226 HydrophobicContact CD1-CD2 4.11Å
212	L	96.5	Very high	94.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-39.9	175.4	-175.5	61	0	0	0	111.8	A208 A209 C214 K215 E216 L226 F236 R239 A240 C243 V245	A208-L212 WeakPolarHBondContact O-CB 3.1Å; A208-L212 PolarHBondContact O-N 2.85Å; A209-L212 PolarHBondContact O-N 3.31Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 2.93Å; L212-K215 WeakPolarHBondContact O-CB 3.19Å; L212-K215 PolarHBondContact O-N 3.09Å; L212-K215 VanDerWaalsContact O-N 3.12Å; L212-E216 WeakPolarHBondContact O-CG 3.24Å; L212-E216 PolarHBondContact O-N 2.81Å; L212-L226 HydrophobicContact CB-CD1 4.4Å; L212-F236 HydrophobicContact CB-CE2 4.36Å; L212-F236 HydrophobicContact CD2-CD2 4.16Å; L212-F236 HydrophobicContact CD2-CE2 3.58Å; L212-F236 HydrophobicContact CD2-CZ 4.13Å; L212-R239 HydrophobicContact CD2-CB 4.32Å; L212-R239 HydrophobicContact CD2-CG 3.87Å; L212-A240 HydrophobicContact CD1-CB 4.14Å; L212-A240 HydrophobicContact CD2-CB 3.91Å; L212-C243 HydrophobicContact CD1-CB 3.8Å; L212-V245 HydrophobicContact CD1-CB 4.25Å; L212-V245 HydrophobicContact CD1-CG2 4.1Å
213	E	95.8	Very high	94.8	Very high	75 Å²	75	51.9 Å²	51.9	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-37.8	173.5	-173.2	-173.6	166.7	0	0	111.8	A209 K215 E216 K217	A209-E213 WeakPolarHBondContact O-CB 3.07Å; A209-E213 PolarHBondContact O-N 3.21Å; E213-K215 VanDerWaalsContact C-N 3.34Å; E213-E216 PolarHBondContact O-N 3.43Å; E213-K217 HydrophobicContact CG-CD 4.45Å; E213-K217 WeakPolarHBondContact O-CG 3.49Å; E213-K217 PolarHBondContact O-N 3.42Å; E213-K217 VanDerWaalsContact OE1-CE 3.27Å; E213-K217 WeakPolarHBondContact OE1-CE 3.38Å; E213-K217 IonicContact OE1-NZ 2.76Å; E213-K217 PolarHBondContact OE1-NZ 3.03Å
214	C	94.3	Very high	95	Very high	8 Å²	8	54 Å²	54	5%	0.054	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-39.6	173.2	-64.7	0	0	0	0	111.8	T185 V189 L210 L211 L212 K217 G218 T219 T220	T185-C214 VanDerWaalsContact CG2-SG 3.55Å; V189-C214 HydrophobicContact CG2-CB 4.15Å; L210-C214 PolarHBondContact O-N 2.88Å; L210-C214 PolarHBondContact O-SG 3.1Å; L211-C214 WeakPolarHBondContact O-CB 3.27Å; L211-C214 PolarHBondContact O-N 3.38Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 2.93Å; C214-K217 PolarHBondContact O-N 3.21Å; C214-G218 PolarHBondContact O-N 3.48Å; C214-T219 WeakPolarHBondContact CA-OG1 3.39Å; C214-T219 WeakPolarHBondContact CB-OG1 3.45Å; C214-T219 PolarHBondContact O-N 2.9Å; C214-T219 PolarHBondContact O-OG1 2.6Å; C214-T220 HydrophobicContact CB-CG2 3.9Å; C214-T220 WeakPolarHBondContact CB-OG1 3.45Å
215	K	95.6	Very high	95.1	Very high	36 Å²	36	48.3 Å²	48.3	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-44.7	174.3	178.5	72.3	178.6	-151.9	0	111.7	L211 L212 E213 K217 G218 T220 P221 V223 C243 V245	L211-K215 PolarHBondContact O-N 3.42Å; L212-K215 WeakPolarHBondContact O-CB 3.19Å; L212-K215 PolarHBondContact O-N 3.09Å; L212-K215 VanDerWaalsContact O-N 3.12Å; E213-K215 VanDerWaalsContact C-N 3.34Å; K215-K217 VanDerWaalsContact C-N 3.3Å; K215-K217 PolarHBondContact O-N 3.42Å; K215-G218 WeakPolarHBondContact O-CA 3.37Å; K215-G218 PolarHBondContact O-N 3.17Å; K215-T220 WeakPolarHBondContact CD-O 3.45Å; K215-T220 PolarHBondContact N-OG1 2.75Å; K215-P221 PolarHBondContact NZ-O 2.66Å; K215-V223 WeakPolarHBondContact CD-O 3.08Å; K215-V223 WeakPolarHBondContact CE-O 3.45Å; K215-V223 PolarHBondContact NZ-O 2.89Å; K215-C243 WeakPolarHBondContact CE-O 3.43Å; K215-C243 HydrophobicContact CG-CB 4.32Å; K215-V245 HydrophobicContact CD-CG2 4.31Å; K215-V245 HydrophobicContact CG-CG2 3.8Å
216	E	95.4	Very high	95.2	Very high	87 Å²	87	45.7 Å²	45.7	41%	0.407	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-40.1	176.5	-75.9	171.4	169.8	0	0	112.3	L212 E213 G218 R239 C243	L212-E216 WeakPolarHBondContact O-CG 3.24Å; L212-E216 PolarHBondContact O-N 2.81Å; E213-E216 PolarHBondContact O-N 3.43Å; E216-G218 PolarHBondContact O-N 2.87Å; E216-R239 VanDerWaalsContact CD-NH2 3.33Å; E216-R239 WeakPolarHBondContact OE1-CG 3.39Å; E216-R239 IonicContact OE1-CZ 3.54Å; E216-R239 IonicContact OE1-NE 3.52Å; E216-R239 PolarHBondContact OE1-NE 2.88Å; E216-R239 IonicContact OE1-NH2 3.51Å; E216-R239 PolarHBondContact OE1-NH2 3.45Å; E216-R239 IonicContact OE2-CZ 2.74Å; E216-R239 IonicContact OE2-NE 3.53Å; E216-R239 IonicContact OE2-NH2 2.71Å; E216-R239 PolarHBondContact OE2-NH2 3.23Å; E216-C243 WeakPolarHBondContact CG-SG 3.38Å
217	K	95.3	Very high	95.4	Very high	137 Å²	137	39.3 Å²	39.3	60%	0.596	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.5	174.6	-68.2	174.7	-174.3	171.9	0	113.3	E213 C214 K215 T219	E213-K217 HydrophobicContact CG-CD 4.45Å; E213-K217 WeakPolarHBondContact O-CG 3.49Å; E213-K217 PolarHBondContact O-N 3.42Å; E213-K217 VanDerWaalsContact OE1-CE 3.27Å; E213-K217 WeakPolarHBondContact OE1-CE 3.38Å; E213-K217 IonicContact OE1-NZ 2.76Å; E213-K217 PolarHBondContact OE1-NZ 3.03Å; C214-K217 PolarHBondContact O-N 3.21Å; K215-K217 VanDerWaalsContact C-N 3.3Å; K215-K217 PolarHBondContact O-N 3.42Å; K217-T219 VanDerWaalsContact C-N 3.26Å; K217-T219 HydrophobicContact CB-CG2 4.19Å; K217-T219 PolarHBondContact O-N 3.25Å
218	G	95	Very high	95.7	Very high	50 Å²	50	37.7 Å²	37.7	52%	0.515	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	13.1	-177.8	0	0	0	0	0	114.5	C214 K215 E216	C214-G218 PolarHBondContact O-N 3.48Å; K215-G218 WeakPolarHBondContact O-CA 3.37Å; K215-G218 PolarHBondContact O-N 3.17Å; E216-G218 PolarHBondContact O-N 2.87Å
219	T	95.6	Very high	95.7	Very high	57 Å²	57	38.1 Å²	38.1	35%	0.35	21%	0.209	S	C	.	.	S	Bend	trans	-84.9	-19.8	-176.4	61.2	0	0	0	0	113.2	N193 C214 K217	N193-T219 PolarHBondContact ND2-O 2.76Å; N193-T219 PolarHBondContact OD1-O 2.81Å; C214-T219 WeakPolarHBondContact CA-OG1 3.39Å; C214-T219 WeakPolarHBondContact CB-OG1 3.45Å; C214-T219 PolarHBondContact O-N 2.9Å; C214-T219 PolarHBondContact O-OG1 2.6Å; K217-T219 VanDerWaalsContact C-N 3.26Å; K217-T219 HydrophobicContact CB-CG2 4.19Å; K217-T219 PolarHBondContact O-N 3.25Å
220	T	95.4	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-126.6	66.2	176.2	54.7	0	0	0	0	111.2	V189 L192 C214 K215 K222 V223	V189-T220 HydrophobicContact CB-CG2 4.23Å; V189-T220 HydrophobicContact CG1-CG2 4.14Å; V189-T220 HydrophobicContact CG2-CG2 3.98Å; L192-T220 HydrophobicContact CB-CG2 4.06Å; L192-T220 HydrophobicContact CD1-CG2 3.77Å; C214-T220 HydrophobicContact CB-CG2 3.9Å; C214-T220 WeakPolarHBondContact CB-OG1 3.45Å; K215-T220 WeakPolarHBondContact CD-O 3.45Å; K215-T220 PolarHBondContact N-OG1 2.75Å; T220-K222 VanDerWaalsContact C-N 3.26Å; T220-K222 PolarHBondContact O-N 3.27Å; T220-V223 PolarHBondContact O-N 3.18Å
221	P	94.4	Very high	95.6	Very high	78 Å²	78	42.9 Å²	42.9	51%	0.506	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.2	-168.1	26.6	-35.9	0	0	0	113.9	K215	K215-P221 PolarHBondContact NZ-O 2.66Å
222	K	95.4	Very high	95.7	Very high	119 Å²	119	45.1 Å²	45.1	52%	0.517	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.4	-177.7	-67.7	-66.7	-172.2	174.1	0	114.2	M197 S198 T220 S224	M197-K222 CarbonylContact O-C 3.56Å; S198-K222 WeakPolarHBondContact CA-O 3.36Å; T220-K222 VanDerWaalsContact C-N 3.26Å; T220-K222 PolarHBondContact O-N 3.27Å; K222-S224 PolarHBondContact O-N 3.38Å
223	V	96.3	Very high	95.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	26%	0.257	C	S	.	.			trans	-64.7	118.9	178.5	178.5	0	0	0	0	108.9	L192 M197 K215 T220 L226	L192-V223 HydrophobicContact CD1-CG2 4.5Å; L192-V223 HydrophobicContact CD2-CG2 4.03Å; M197-V223 PolarHBondContact O-N 3.49Å; K215-V223 WeakPolarHBondContact CD-O 3.08Å; K215-V223 WeakPolarHBondContact CE-O 3.45Å; K215-V223 PolarHBondContact NZ-O 2.89Å; T220-V223 PolarHBondContact O-N 3.18Å; V223-L226 HydrophobicContact CG1-CD2 3.96Å; V223-L226 HydrophobicContact CG1-CG 4.47Å
224	S	96.4	Very high	95.7	Very high	46 Å²	46	51 Å²	51	32%	0.322	27%	0.274	S	S	.	.			trans	-130.2	-13.1	-177.2	62.6	0	0	0	0	112.8	S198 K222 V245 D246	S198-S224 PolarHBondContact O-N 3.39Å; K222-S224 PolarHBondContact O-N 3.38Å; S224-V245 WeakPolarHBondContact O-CA 3.32Å; S224-D246 PolarHBondContact O-N 2.9Å
225	C	97.8	Very high	95.8	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	129.4	177	-173.6	0	0	0	0	111.6	S198 L199 V200 D246	S198-C225 PolarHBondContact O-N 3.41Å; L199-C225 WeakPolarHBondContact CA-O 3.46Å; L199-C225 HydrophobicContact CB-CB 4.38Å; L199-C225 HydrophobicContact CD1-CB 4.3Å; L199-C225 HydrophobicContact CG-CB 4.21Å; V200-C225 PolarHBondContact N-O 2.89Å; C225-D246 CarbonylContact C-O 3.37Å; C225-D246 VanDerWaalsContact CA-O 3.3Å; C225-D246 WeakPolarHBondContact CA-O 3.29Å
226	L	98	Very high	95.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	169.6	-61.7	175.3	0	0	0	109	V200 A208 L211 L212 V223 L228 F236 V245 D246 V247 L248	V200-L226 HydrophobicContact CB-CD2 4Å; V200-L226 WeakPolarHBondContact O-CA 3.37Å; A208-L226 HydrophobicContact CB-CD1 4.26Å; L211-L226 HydrophobicContact CB-CD2 4.34Å; L211-L226 HydrophobicContact CD1-CD2 4.11Å; L212-L226 HydrophobicContact CB-CD1 4.4Å; V223-L226 HydrophobicContact CG1-CD2 3.96Å; V223-L226 HydrophobicContact CG1-CG 4.47Å; L226-L228 HydrophobicContact CB-CD1 4.25Å; L226-F236 HydrophobicContact CD1-CZ 4.37Å; L226-V245 HydrophobicContact CB-CG1 4.38Å; L226-V245 HydrophobicContact CD1-CG1 3.95Å; L226-V245 HydrophobicContact CG-CG1 3.77Å; L226-D246 PolarHBondContact N-O 2.91Å; L226-V247 HydrophobicContact CB-CG2 4.36Å; L226-V247 VanDerWaalsContact O-CA 3.32Å; L226-V247 WeakPolarHBondContact O-CA 3.23Å; L226-L248 PolarHBondContact O-N 3.36Å
227	V	97.9	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.7	177.6	180	0	0	0	0	107.9	L199 V200 V201 C202 L248 L253	L199-V227 HydrophobicContact CD1-CG2 4.35Å; L199-V227 HydrophobicContact CD2-CG2 4.31Å; L199-V227 HydrophobicContact CG-CG2 4.35Å; V200-V227 PolarHBondContact O-N 2.81Å; V201-V227 CarbonylContact C-O 3.54Å; V201-V227 VanDerWaalsContact CA-O 3.25Å; V201-V227 WeakPolarHBondContact CA-O 3.39Å; V201-V227 HydrophobicContact CG1-CB 4.38Å; V201-V227 HydrophobicContact CG1-CG1 4.39Å; V201-V227 HydrophobicContact CG2-CB 4.25Å; C202-V227 PolarHBondContact N-O 2.76Å; V227-L248 CarbonylContact C-O 3.51Å; V227-L248 VanDerWaalsContact CA-O 3.27Å; V227-L248 WeakPolarHBondContact CA-O 3.46Å; V227-L253 HydrophobicContact CB-CD2 4.42Å; V227-L253 HydrophobicContact CG1-CB 4.26Å; V227-L253 HydrophobicContact CG1-CD2 3.73Å; V227-L253 HydrophobicContact CG2-CD1 4.37Å; V227-L253 HydrophobicContact CG2-CD2 3.92Å
228	L	97.8	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	-179.3	-74.8	72.9	0	0	0	111.1	C202 E205 A208 L226 N230 F232 F236 V247 L248 N249 R250	C202-L228 HydrophobicContact CB-CG 4.43Å; C202-L228 CarbonylContact O-C 3.54Å; C202-L228 VanDerWaalsContact O-CA 3.3Å; C202-L228 WeakPolarHBondContact O-CA 3.22Å; E205-L228 HydrophobicContact CB-CD2 4.31Å; A208-L228 HydrophobicContact CB-CD1 3.86Å; A208-L228 HydrophobicContact CB-CD2 3.99Å; A208-L228 HydrophobicContact CB-CG 4.1Å; L226-L228 HydrophobicContact CB-CD1 4.25Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 VanDerWaalsContact CB-O 3.3Å; L228-N230 WeakPolarHBondContact CB-O 3.45Å; L228-F232 HydrophobicContact CD2-CB 3.92Å; L228-F232 HydrophobicContact CD2-CD1 4.41Å; L228-F232 HydrophobicContact CD2-CG 4.5Å; L228-F236 HydrophobicContact CD1-CE1 4.39Å; L228-F236 HydrophobicContact CD2-CE1 4.38Å; L228-V247 HydrophobicContact CD1-CG1 3.78Å; L228-L248 PolarHBondContact N-O 3.38Å; L228-N249 CarbonylContact O-C 3.46Å; L228-N249 VanDerWaalsContact O-CA 3.26Å; L228-N249 WeakPolarHBondContact O-CA 3.48Å; L228-R250 PolarHBondContact O-N 3.43Å
229	F	94.8	Very high	96.1	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.039	26%	0.262	C	S	.	.	S	Bend	trans	-69.4	-31.7	172	-62.8	-38.3	0	0	0	112.5	M139 V154 R159 E161 S165 V201 C202 D203	M139-F229 HydrophobicContact CE-CE1 4.21Å; V154-F229 HydrophobicContact CG1-CZ 4.48Å; R159-F229 HydrophobicContact CG-CD2 4.39Å; R159-F229 HydrophobicContact CG-CE2 4.3Å; E161-F229 HydrophobicContact CB-CD1 3.55Å; E161-F229 HydrophobicContact CB-CD2 4.04Å; E161-F229 HydrophobicContact CB-CE1 3.51Å; E161-F229 HydrophobicContact CB-CE2 4.02Å; E161-F229 HydrophobicContact CB-CG 3.82Å; E161-F229 HydrophobicContact CB-CZ 3.76Å; E161-F229 HydrophobicContact CG-CD1 4.3Å; E161-F229 HydrophobicContact CG-CG 4.42Å; E161-F229 WeakPolarHBondContact O-CZ 3.5Å; S165-F229 WeakPolarHBondContact OG-CE1 3.3Å; S165-F229 WeakPolarHBondContact OG-CZ 3.48Å; V201-F229 HydrophobicContact CG1-CD1 3.88Å; V201-F229 HydrophobicContact CG1-CE1 3.22Å; V201-F229 HydrophobicContact CG1-CE2 4.2Å; V201-F229 HydrophobicContact CG1-CZ 3.42Å; V201-F229 VanDerWaalsContact CG1-CZ 3.42Å; C202-F229 PolarHBondContact O-N 3.39Å; D203-F229 HydrophobicContact CB-CD2 4.07Å
230	N	92.7	Very high	96.2	Very high	63 Å²	63	45.7 Å²	45.7	34%	0.337	25%	0.245	S	C	.	.	S	Bend	trans	-104.2	165.5	177.5	-64.3	25.6	0	0	0	110.7	R159 D203 R204 L228	R159-N230 PolarHBondContact NH1-OD1 3.03Å; R159-N230 PolarHBondContact NH2-OD1 3.36Å; D203-N230 VanDerWaalsContact O-CB 3.28Å; D203-N230 WeakPolarHBondContact O-CB 3.46Å; D203-N230 VanDerWaalsContact O-CG 3.26Å; D203-N230 PolarHBondContact O-N 2.96Å; D203-N230 VanDerWaalsContact O-N 3.08Å; D203-N230 PolarHBondContact O-OD1 3.4Å; R204-N230 HydrophobicContact CG-CB 4.44Å; L228-N230 VanDerWaalsContact C-N 3.3Å; L228-N230 VanDerWaalsContact CB-O 3.3Å; L228-N230 WeakPolarHBondContact CB-O 3.45Å
231	D	93.3	Very high	96.2	Very high	125 Å²	125	53.3 Å²	53.3	67%	0.668	28%	0.278	S	S	*	.			trans	-62.8	155.7	172.6	-68.4	-38.4	0	0	0	112.4	N249	D231-N249 PolarHBondContact OD1-ND2 3.44Å
232	F	95.8	Very high	96.2	Very high	50 Å²	50	58 Å²	58	22%	0.219	29%	0.291	C	S	.	.			trans	-131.3	156	178	58.9	-88.7	0	0	0	111.2	E205 L228 F236 V247 N249	E205-F232 WeakPolarHBondContact OE2-CA 3.49Å; L228-F232 HydrophobicContact CD2-CB 3.92Å; L228-F232 HydrophobicContact CD2-CD1 4.41Å; L228-F232 HydrophobicContact CD2-CG 4.5Å; F232-F236 HydrophobicContact CB-CD1 3.96Å; F232-F236 HydrophobicContact CD2-CD1 4.07Å; F232-F236 HydrophobicContact CG-CD1 4.2Å; F232-V247 HydrophobicContact CD1-CG1 3.97Å; F232-V247 HydrophobicContact CD2-CG1 4.08Å; F232-V247 HydrophobicContact CE1-CG1 3.8Å; F232-V247 HydrophobicContact CE2-CB 4.39Å; F232-V247 HydrophobicContact CE2-CG1 3.91Å; F232-V247 HydrophobicContact CG-CG1 4.12Å; F232-V247 HydrophobicContact CZ-CB 4.32Å; F232-V247 HydrophobicContact CZ-CG1 3.76Å; F232-N249 HydrophobicContact CD1-CB 4.39Å; F232-N249 HydrophobicContact CE1-CB 4.04Å
233	S	96.9	Very high	96.2	Very high	47 Å²	47	53.4 Å²	53.4	33%	0.329	27%	0.273	S	S	.	.			trans	-70.5	148	-179.4	70.9	0	0	0	0	111.7	E205 A235 F236 G237	E205-S233 PolarHBondContact OE1-OG 3.17Å; E205-S233 VanDerWaalsContact OE1-OG 3.05Å; E205-S233 WeakPolarHBondContact OE2-CB 3.44Å; E205-S233 PolarHBondContact OE2-N 2.97Å; E205-S233 PolarHBondContact OE2-OG 2.88Å; E205-S233 VanDerWaalsContact OE2-OG 3.06Å; S233-A235 PolarHBondContact O-N 2.94Å; S233-F236 WeakPolarHBondContact O-CB 3.29Å; S233-F236 PolarHBondContact O-N 3.46Å; S233-F236 VanDerWaalsContact O-N 3.11Å; S233-F236 WeakPolarHBondContact OG-CB 3.47Å; S233-F236 PolarHBondContact OG-N 3.04Å; S233-F236 VanDerWaalsContact OG-N 3.12Å; S233-G237 PolarHBondContact O-N 3.36Å; S233-G237 VanDerWaalsContact O-N 3.11Å
234	Q	95.6	Very high	96.2	Very high	152 Å²	152	61.2 Å²	61.2	71%	0.71	31%	0.31	S	S	*	.	H	α-helix	trans	-56.7	-38.8	173.3	-176.8	-179.7	-14.3	0	0	111.5	F236 G237 E238	Q234-F236 VanDerWaalsContact C-N 3.33Å; Q234-F236 PolarHBondContact O-N 3.05Å; Q234-G237 PolarHBondContact O-N 2.93Å; Q234-E238 PolarHBondContact NE2-OE1 3.31Å; Q234-E238 WeakPolarHBondContact O-CG 3.42Å; Q234-E238 PolarHBondContact O-N 3.07Å
235	A	96.5	Very high	96.2	Very high	69 Å²	69	59 Å²	59	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-59.5	-41.8	177	0	0	0	0	0	112.3	S233 E238 R239	S233-A235 PolarHBondContact O-N 2.94Å; A235-E238 PolarHBondContact O-N 2.71Å; A235-R239 WeakPolarHBondContact O-CB 3.36Å; A235-R239 PolarHBondContact O-N 3.04Å
236	F	97.2	Very high	96.2	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-45.8	174.7	180	-105.5	0	0	0	112.1	E205 A208 A209 L212 L226 L228 F232 S233 Q234 E238 R239 A240 V247	E205-F236 VanDerWaalsContact CD-CB 3.47Å; E205-F236 HydrophobicContact CG-CB 4.02Å; E205-F236 HydrophobicContact CG-CD1 4.1Å; E205-F236 HydrophobicContact CG-CD2 3.81Å; E205-F236 HydrophobicContact CG-CE2 4.33Å; E205-F236 HydrophobicContact CG-CG 3.69Å; E205-F236 WeakPolarHBondContact OE1-CB 3.22Å; A208-F236 HydrophobicContact CB-CE1 4.12Å; A208-F236 HydrophobicContact CB-CZ 3.62Å; A209-F236 HydrophobicContact CB-CD2 4.47Å; A209-F236 HydrophobicContact CB-CE2 3.95Å; L212-F236 HydrophobicContact CB-CE2 4.36Å; L212-F236 HydrophobicContact CD2-CD2 4.16Å; L212-F236 HydrophobicContact CD2-CE2 3.58Å; L212-F236 HydrophobicContact CD2-CZ 4.13Å; L226-F236 HydrophobicContact CD1-CZ 4.37Å; L228-F236 HydrophobicContact CD1-CE1 4.39Å; L228-F236 HydrophobicContact CD2-CE1 4.38Å; F232-F236 HydrophobicContact CB-CD1 3.96Å; F232-F236 HydrophobicContact CD2-CD1 4.07Å; F232-F236 HydrophobicContact CG-CD1 4.2Å; S233-F236 WeakPolarHBondContact O-CB 3.29Å; S233-F236 PolarHBondContact O-N 3.46Å; S233-F236 VanDerWaalsContact O-N 3.11Å; S233-F236 WeakPolarHBondContact OG-CB 3.47Å; S233-F236 PolarHBondContact OG-N 3.04Å; S233-F236 VanDerWaalsContact OG-N 3.12Å; Q234-F236 VanDerWaalsContact C-N 3.33Å; Q234-F236 PolarHBondContact O-N 3.05Å; F236-E238 VanDerWaalsContact C-N 3.32Å; F236-E238 PolarHBondContact O-N 2.82Å; F236-R239 WeakPolarHBondContact O-CB 3.3Å; F236-R239 PolarHBondContact O-N 3.33Å; F236-A240 WeakPolarHBondContact O-CB 3.43Å; F236-A240 PolarHBondContact O-N 3.27Å; F236-V247 HydrophobicContact CD1-CG1 4.16Å; F236-V247 HydrophobicContact CE1-CB 4.5Å; F236-V247 HydrophobicContact CE1-CG1 3.77Å; F236-V247 HydrophobicContact CE1-CG2 3.96Å
237	G	96.5	Very high	96.2	Very high	11 Å²	11	63.6 Å²	63.6	11%	0.113	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-40.6	176.4	0	0	0	0	0	113	S233 Q234 A240 K241	S233-G237 PolarHBondContact O-N 3.36Å; S233-G237 VanDerWaalsContact O-N 3.11Å; Q234-G237 PolarHBondContact O-N 2.93Å; G237-A240 PolarHBondContact O-N 2.89Å; G237-K241 WeakPolarHBondContact O-CG 3.45Å; G237-K241 PolarHBondContact O-N 2.97Å; G237-K241 VanDerWaalsContact O-N 3.08Å
238	E	96.6	Very high	96.1	Very high	93 Å²	93	64.9 Å²	64.9	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-68.2	-40.4	175.6	-72.4	175.4	-169.4	0	0	112.6	Q234 A235 F236 A240 K241 K242	Q234-E238 PolarHBondContact NE2-OE1 3.31Å; Q234-E238 WeakPolarHBondContact O-CG 3.42Å; Q234-E238 PolarHBondContact O-N 3.07Å; A235-E238 PolarHBondContact O-N 2.71Å; F236-E238 VanDerWaalsContact C-N 3.32Å; F236-E238 PolarHBondContact O-N 2.82Å; E238-A240 VanDerWaalsContact C-N 3.35Å; E238-K241 PolarHBondContact O-N 3.44Å; E238-K242 WeakPolarHBondContact O-CG 3.27Å; E238-K242 PolarHBondContact O-N 3.28Å
239	R	97.1	Very high	96.1	Very high	85 Å²	85	65.7 Å²	65.7	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-45.2	174.1	-176.2	-174.6	170.7	-161.2	-4.1	111	L212 E216 A235 F236 K242 C243	L212-R239 HydrophobicContact CD2-CB 4.32Å; L212-R239 HydrophobicContact CD2-CG 3.87Å; E216-R239 VanDerWaalsContact CD-NH2 3.33Å; E216-R239 WeakPolarHBondContact OE1-CG 3.39Å; E216-R239 IonicContact OE1-CZ 3.54Å; E216-R239 IonicContact OE1-NE 3.52Å; E216-R239 PolarHBondContact OE1-NE 2.88Å; E216-R239 IonicContact OE1-NH2 3.51Å; E216-R239 PolarHBondContact OE1-NH2 3.45Å; E216-R239 IonicContact OE2-CZ 2.74Å; E216-R239 IonicContact OE2-NE 3.53Å; E216-R239 IonicContact OE2-NH2 2.71Å; E216-R239 PolarHBondContact OE2-NH2 3.23Å; A235-R239 WeakPolarHBondContact O-CB 3.36Å; A235-R239 PolarHBondContact O-N 3.04Å; F236-R239 WeakPolarHBondContact O-CB 3.3Å; F236-R239 PolarHBondContact O-N 3.33Å; R239-K242 WeakPolarHBondContact O-CB 3.24Å; R239-K242 PolarHBondContact O-N 2.76Å; R239-C243 PolarHBondContact O-N 2.83Å; R239-C243 PolarHBondContact O-SG 3.15Å
240	A	96.8	Very high	96.1	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-41	179.6	0	0	0	0	0	112.8	L212 F236 G237 E238 K242 C243 E244 V245 V247	L212-A240 HydrophobicContact CD1-CB 4.14Å; L212-A240 HydrophobicContact CD2-CB 3.91Å; F236-A240 WeakPolarHBondContact O-CB 3.43Å; F236-A240 PolarHBondContact O-N 3.27Å; G237-A240 PolarHBondContact O-N 2.89Å; E238-A240 VanDerWaalsContact C-N 3.35Å; A240-K242 VanDerWaalsContact C-N 3.31Å; A240-K242 PolarHBondContact O-N 2.74Å; A240-C243 CarbonylContact O-C 3.56Å; A240-C243 WeakPolarHBondContact O-CA 3.44Å; A240-C243 WeakPolarHBondContact O-CB 3.47Å; A240-C243 PolarHBondContact O-N 3.43Å; A240-E244 PolarHBondContact O-N 3.01Å; A240-V245 CarbonylContact C-O 3.52Å; A240-V245 HydrophobicContact CB-CB 4.26Å; A240-V245 PolarHBondContact O-N 3.36Å; A240-V247 HydrophobicContact CB-CB 4.45Å; A240-V247 HydrophobicContact CB-CG2 3.2Å
241	K	95.9	Very high	96.2	Very high	160 Å²	160	68.7 Å²	68.7	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-58.3	-40.2	174.3	-77.4	176.8	-179.1	178.5	0	112.9	G237 E238 C243 E244	G237-K241 WeakPolarHBondContact O-CG 3.45Å; G237-K241 PolarHBondContact O-N 2.97Å; G237-K241 VanDerWaalsContact O-N 3.08Å; E238-K241 PolarHBondContact O-N 3.44Å; K241-C243 PolarHBondContact O-N 2.94Å; K241-E244 PolarHBondContact O-N 3.27Å; K241-E244 VanDerWaalsContact O-N 3.08Å
242	K	95.9	Very high	96.4	Very high	176 Å²	176	67 Å²	67	77%	0.765	33%	0.329	S	S	*	.	H	α-helix	trans	-62.1	-23.4	174.8	-69	173.6	-174.5	174.6	0	112.9	E238 R239 A240	E238-K242 WeakPolarHBondContact O-CG 3.27Å; E238-K242 PolarHBondContact O-N 3.28Å; R239-K242 WeakPolarHBondContact O-CB 3.24Å; R239-K242 PolarHBondContact O-N 2.76Å; A240-K242 VanDerWaalsContact C-N 3.31Å; A240-K242 PolarHBondContact O-N 2.74Å
243	C	94.6	Very high	96.5	Very high	23 Å²	23	64.6 Å²	64.6	16%	0.155	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	10.3	178.3	-51.9	0	0	0	0	113	L212 K215 E216 R239 A240 K241 V245	L212-C243 HydrophobicContact CD1-CB 3.8Å; K215-C243 WeakPolarHBondContact CE-O 3.43Å; K215-C243 HydrophobicContact CG-CB 4.32Å; E216-C243 WeakPolarHBondContact CG-SG 3.38Å; R239-C243 PolarHBondContact O-N 2.83Å; R239-C243 PolarHBondContact O-SG 3.15Å; A240-C243 CarbonylContact O-C 3.56Å; A240-C243 WeakPolarHBondContact O-CA 3.44Å; A240-C243 WeakPolarHBondContact O-CB 3.47Å; A240-C243 PolarHBondContact O-N 3.43Å; K241-C243 PolarHBondContact O-N 2.94Å; C243-V245 HydrophobicContact CB-CG2 4.33Å; C243-V245 PolarHBondContact O-N 2.83Å
244	E	95.8	Very high	96.5	Very high	167 Å²	167	63 Å²	63	78%	0.78	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	37.5	-175.2	-54.1	178.7	163.2	0	0	112.8	A240 K241	A240-E244 PolarHBondContact O-N 3.01Å; K241-E244 PolarHBondContact O-N 3.27Å; K241-E244 VanDerWaalsContact O-N 3.08Å
245	V	97.4	Very high	96.6	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	29%	0.29	C	S	.	.			trans	-113.4	120.7	175.3	177.9	0	0	0	0	109.7	L212 K215 S224 L226 A240 C243 V247	L212-V245 HydrophobicContact CD1-CB 4.25Å; L212-V245 HydrophobicContact CD1-CG2 4.1Å; K215-V245 HydrophobicContact CD-CG2 4.31Å; K215-V245 HydrophobicContact CG-CG2 3.8Å; S224-V245 WeakPolarHBondContact O-CA 3.32Å; L226-V245 HydrophobicContact CB-CG1 4.38Å; L226-V245 HydrophobicContact CD1-CG1 3.95Å; L226-V245 HydrophobicContact CG-CG1 3.77Å; A240-V245 CarbonylContact C-O 3.52Å; A240-V245 HydrophobicContact CB-CB 4.26Å; A240-V245 PolarHBondContact O-N 3.36Å; C243-V245 HydrophobicContact CB-CG2 4.33Å; C243-V245 PolarHBondContact O-N 2.83Å; V245-V247 HydrophobicContact CG1-CG2 4.4Å
246	D	97	Very high	96.7	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.8	170.3	-79.9	-18.7	0	0	0	110.1	K146 S224 C225 L226	K146-D246 IonicContact NZ-OD2 3.84Å; K146-D246 PolarHBondContact NZ-OD2 3.09Å; S224-D246 PolarHBondContact O-N 2.9Å; C225-D246 CarbonylContact C-O 3.37Å; C225-D246 VanDerWaalsContact CA-O 3.3Å; C225-D246 WeakPolarHBondContact CA-O 3.29Å; L226-D246 PolarHBondContact N-O 2.91Å
247	V	97.4	Very high	96.7	Very high	22 Å²	22	58.1 Å²	58.1	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.8	173.8	-174.8	0	0	0	0	109.4	L226 L228 F232 F236 A240 V245	L226-V247 HydrophobicContact CB-CG2 4.36Å; L226-V247 VanDerWaalsContact O-CA 3.32Å; L226-V247 WeakPolarHBondContact O-CA 3.23Å; L228-V247 HydrophobicContact CD1-CG1 3.78Å; F232-V247 HydrophobicContact CD1-CG1 3.97Å; F232-V247 HydrophobicContact CD2-CG1 4.08Å; F232-V247 HydrophobicContact CE1-CG1 3.8Å; F232-V247 HydrophobicContact CE2-CB 4.39Å; F232-V247 HydrophobicContact CE2-CG1 3.91Å; F232-V247 HydrophobicContact CG-CG1 4.12Å; F232-V247 HydrophobicContact CZ-CB 4.32Å; F232-V247 HydrophobicContact CZ-CG1 3.76Å; F236-V247 HydrophobicContact CD1-CG1 4.16Å; F236-V247 HydrophobicContact CE1-CB 4.5Å; F236-V247 HydrophobicContact CE1-CG1 3.77Å; F236-V247 HydrophobicContact CE1-CG2 3.96Å; A240-V247 HydrophobicContact CB-CB 4.45Å; A240-V247 HydrophobicContact CB-CG2 3.2Å; V245-V247 HydrophobicContact CG1-CG2 4.4Å
248	L	97.2	Very high	96.7	Very high	26 Å²	26	61.9 Å²	61.9	14%	0.136	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.5	175.6	-64.6	169.2	0	0	0	109.3	K146 L226 V227 L228 Q252 L253 L256	K146-L248 HydrophobicContact CD-CD1 4.31Å; K146-L248 VanDerWaalsContact CE-CD1 3.41Å; K146-L248 HydrophobicContact CG-CD1 4.13Å; L226-L248 PolarHBondContact O-N 3.36Å; V227-L248 CarbonylContact C-O 3.51Å; V227-L248 VanDerWaalsContact CA-O 3.27Å; V227-L248 WeakPolarHBondContact CA-O 3.46Å; L228-L248 PolarHBondContact N-O 3.38Å; L248-Q252 HydrophobicContact CB-CB 4.3Å; L248-Q252 HydrophobicContact CD2-CB 3.88Å; L248-L253 HydrophobicContact CD1-CB 4.29Å; L248-L253 HydrophobicContact CD1-CD1 3.81Å; L248-L256 HydrophobicContact CD1-CD2 4.46Å
249	N	96.4	Very high	96.8	Very high	18 Å²	18	63.6 Å²	63.6	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	169.1	159.7	70	13	0	0	0	109.4	L228 D231 F232 E251 Q252 L253	L228-N249 CarbonylContact O-C 3.46Å; L228-N249 VanDerWaalsContact O-CA 3.26Å; L228-N249 WeakPolarHBondContact O-CA 3.48Å; D231-N249 PolarHBondContact OD1-ND2 3.44Å; F232-N249 HydrophobicContact CD1-CB 4.39Å; F232-N249 HydrophobicContact CE1-CB 4.04Å; N249-E251 VanDerWaalsContact C-N 3.28Å; N249-E251 PolarHBondContact O-N 2.74Å; N249-E251 PolarHBondContact OD1-N 3.3Å; N249-Q252 PolarHBondContact O-N 3.46Å; N249-Q252 VanDerWaalsContact OD1-CB 3.3Å; N249-Q252 WeakPolarHBondContact OD1-CB 3.36Å; N249-Q252 WeakPolarHBondContact OD1-CG 3.23Å; N249-Q252 PolarHBondContact OD1-N 3.18Å; N249-Q252 PolarHBondContact OD1-OE1 2.68Å; N249-L253 PolarHBondContact O-N 3.24Å
250	R	94.6	Very high	96.8	Very high	50 Å²	50	63 Å²	63	19%	0.189	30%	0.297	C	S	.	.	H	α-helix	trans	-54.9	-44.9	-178.2	-177.1	-172	72.8	121.5	0.5	111.9	L228 L253 M254	L228-R250 PolarHBondContact O-N 3.43Å; R250-L253 PolarHBondContact O-N 3.2Å; R250-M254 HydrophobicContact CG-CE 3.79Å; R250-M254 HydrophobicContact CG-SD 4.2Å; R250-M254 WeakPolarHBondContact O-CG 2.96Å; R250-M254 PolarHBondContact O-N 3.39Å
251	E	95.9	Very high	96.8	Very high	84 Å²	84	67.3 Å²	67.3	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-43.6	-177.9	-68.7	66.1	-147.2	0	0	111.1	N249 M254 E255	N249-E251 VanDerWaalsContact C-N 3.28Å; N249-E251 PolarHBondContact O-N 2.74Å; N249-E251 PolarHBondContact OD1-N 3.3Å; E251-M254 PolarHBondContact O-N 3.48Å; E251-E255 WeakPolarHBondContact O-CB 3.06Å; E251-E255 PolarHBondContact O-N 3.32Å
252	Q	97.2	Very high	96.7	Very high	90 Å²	90	64.9 Å²	64.9	42%	0.421	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-41.3	175.8	-72.8	166.1	-17.9	0	0	112.1	L248 N249 E255 L256	L248-Q252 HydrophobicContact CB-CB 4.3Å; L248-Q252 HydrophobicContact CD2-CB 3.88Å; N249-Q252 PolarHBondContact O-N 3.46Å; N249-Q252 VanDerWaalsContact OD1-CB 3.3Å; N249-Q252 WeakPolarHBondContact OD1-CB 3.36Å; N249-Q252 WeakPolarHBondContact OD1-CG 3.23Å; N249-Q252 PolarHBondContact OD1-N 3.18Å; N249-Q252 PolarHBondContact OD1-OE1 2.68Å; Q252-E255 PolarHBondContact O-N 3.31Å; Q252-L256 WeakPolarHBondContact O-CB 3.2Å; Q252-L256 PolarHBondContact O-N 3Å
253	L	97.4	Very high	96.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-43.7	176	-176.8	72.9	0	0	0	111.6	M139 G142 M143 K146 V227 L248 N249 R250 E255 L256 G257	M139-L253 HydrophobicContact CE-CD2 4.14Å; M139-L253 HydrophobicContact CG-CD2 3.88Å; G142-L253 VanDerWaalsContact C-CD1 3.47Å; M143-L253 HydrophobicContact CE-CD2 4.5Å; M143-L253 HydrophobicContact CG-CD2 4.13Å; K146-L253 HydrophobicContact CG-CD1 4.37Å; V227-L253 HydrophobicContact CB-CD2 4.42Å; V227-L253 HydrophobicContact CG1-CB 4.26Å; V227-L253 HydrophobicContact CG1-CD2 3.73Å; V227-L253 HydrophobicContact CG2-CD1 4.37Å; V227-L253 HydrophobicContact CG2-CD2 3.92Å; L248-L253 HydrophobicContact CD1-CB 4.29Å; L248-L253 HydrophobicContact CD1-CD1 3.81Å; N249-L253 PolarHBondContact O-N 3.24Å; R250-L253 PolarHBondContact O-N 3.2Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-L256 WeakPolarHBondContact O-CB 2.93Å; L253-L256 PolarHBondContact O-N 3.26Å; L253-G257 PolarHBondContact O-N 3.24Å
254	M	97.2	Very high	96.7	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.059	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-40.3	177.1	-74	-178	176.2	0	0	111.5	Q135 W138 M139 I164 R250 E251 G257 K258	Q135-M254 HydrophobicContact CB-CE 3.82Å; Q135-M254 HydrophobicContact CG-CE 4.05Å; Q135-M254 HydrophobicContact CG-SD 4.35Å; W138-M254 HydrophobicContact CB-CB 4.22Å; W138-M254 HydrophobicContact CB-CG 4.32Å; M139-M254 HydrophobicContact CB-CE 4.3Å; M139-M254 HydrophobicContact CB-CG 4.38Å; M139-M254 HydrophobicContact SD-CE 4.39Å; I164-M254 HydrophobicContact CG2-CE 4.05Å; R250-M254 HydrophobicContact CG-CE 3.79Å; R250-M254 HydrophobicContact CG-SD 4.2Å; R250-M254 WeakPolarHBondContact O-CG 2.96Å; R250-M254 PolarHBondContact O-N 3.39Å; E251-M254 PolarHBondContact O-N 3.48Å; M254-G257 CarbonylContact O-C 3.26Å; M254-G257 PolarHBondContact O-N 3.48Å; M254-K258 WeakPolarHBondContact O-CG 3.13Å; M254-K258 PolarHBondContact O-N 3.11Å
255	E	98.1	Very high	96.6	Very high	84 Å²	84	60.2 Å²	60.2	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-43.4	176.2	-173.7	54	-145.6	0	0	111.7	E251 Q252 L253 G257 K258 Q259	E251-E255 WeakPolarHBondContact O-CB 3.06Å; E251-E255 PolarHBondContact O-N 3.32Å; Q252-E255 PolarHBondContact O-N 3.31Å; L253-E255 VanDerWaalsContact C-N 3.34Å; E255-G257 PolarHBondContact O-N 3.03Å; E255-K258 PolarHBondContact O-N 2.89Å; E255-K258 VanDerWaalsContact O-N 3.17Å; E255-K258 IonicContact OE2-NZ 3.88Å; E255-Q259 WeakPolarHBondContact O-CG 3.14Å; E255-Q259 PolarHBondContact O-N 3.46Å; E255-Q259 PolarHBondContact OE1-NE2 2.79Å
256	L	97.9	Very high	96.4	Very high	41 Å²	41	64.7 Å²	64.7	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-56.1	-41.8	170.8	179.7	67.9	0	0	0	111.3	A145 K146 L248 Q252 L253 Q259 N260	A145-L256 HydrophobicContact CB-CD2 4.01Å; A145-L256 HydrophobicContact CB-CG 4.06Å; K146-L256 HydrophobicContact CD-CD2 4.35Å; K146-L256 HydrophobicContact CG-CD2 3.97Å; L248-L256 HydrophobicContact CD1-CD2 4.46Å; Q252-L256 WeakPolarHBondContact O-CB 3.2Å; Q252-L256 PolarHBondContact O-N 3Å; L253-L256 WeakPolarHBondContact O-CB 2.93Å; L253-L256 PolarHBondContact O-N 3.26Å; L256-Q259 PolarHBondContact O-N 2.9Å; L256-N260 WeakPolarHBondContact CD1-ND2 3.49Å; L256-N260 WeakPolarHBondContact O-CB 3.45Å; L256-N260 PolarHBondContact O-N 2.78Å; L256-N260 PolarHBondContact O-ND2 2.99Å
257	G	97.7	Very high	96.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.5	-35.6	177.1	0	0	0	0	0	114.3	W138 S141 G142 L253 M254 E255 Q259 N260 L261	W138-G257 WeakPolarHBondContact O-CA 3.23Å; S141-G257 WeakPolarHBondContact CB-O 3.36Å; G142-G257 VanDerWaalsContact N-CA 3.34Å; L253-G257 PolarHBondContact O-N 3.24Å; M254-G257 CarbonylContact O-C 3.26Å; M254-G257 PolarHBondContact O-N 3.48Å; E255-G257 PolarHBondContact O-N 3.03Å; G257-Q259 VanDerWaalsContact C-N 3.34Å; G257-N260 CarbonylContact O-C 3.52Å; G257-N260 PolarHBondContact O-N 2.88Å; G257-L261 WeakPolarHBondContact O-CA 3.45Å; G257-L261 PolarHBondContact O-N 2.99Å
258	K	97.5	Very high	96.4	Very high	90 Å²	90	65 Å²	65	39%	0.391	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-41.5	171.8	-71.4	172.9	-170.6	169.9	0	111.5	W138 M254 E255 N260	W138-K258 HydrophobicContact CB-CG 4.41Å; W138-K258 HydrophobicContact CD2-CD 4.33Å; W138-K258 HydrophobicContact CD2-CG 3.93Å; W138-K258 VanDerWaalsContact CE3-CE 3.5Å; W138-K258 HydrophobicContact CG-CG 3.77Å; M254-K258 WeakPolarHBondContact O-CG 3.13Å; M254-K258 PolarHBondContact O-N 3.11Å; E255-K258 PolarHBondContact O-N 2.89Å; E255-K258 VanDerWaalsContact O-N 3.17Å; E255-K258 IonicContact OE2-NZ 3.88Å; K258-N260 VanDerWaalsContact C-N 3.26Å; K258-N260 PolarHBondContact O-N 3.21Å
259	Q	97.8	Very high	96.4	Very high	129 Å²	129	65.5 Å²	65.5	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-70.4	-25.3	178.1	-66.7	170.8	13.6	0	0	112.5	E255 L256 G257	E255-Q259 WeakPolarHBondContact O-CG 3.14Å; E255-Q259 PolarHBondContact O-N 3.46Å; E255-Q259 PolarHBondContact OE1-NE2 2.79Å; L256-Q259 PolarHBondContact O-N 2.9Å; G257-Q259 VanDerWaalsContact C-N 3.34Å
260	N	96.6	Very high	96.5	Very high	72 Å²	72	70.4 Å²	70.4	39%	0.385	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	41.5	-178	-63.1	-87.1	0	0	0	111.5	A145 L256 G257 K258 K262	A145-N260 HydrophobicContact CB-CB 4.09Å; L256-N260 WeakPolarHBondContact CD1-ND2 3.49Å; L256-N260 WeakPolarHBondContact O-CB 3.45Å; L256-N260 PolarHBondContact O-N 2.78Å; L256-N260 PolarHBondContact O-ND2 2.99Å; G257-N260 CarbonylContact O-C 3.52Å; G257-N260 PolarHBondContact O-N 2.88Å; K258-N260 VanDerWaalsContact C-N 3.26Å; K258-N260 PolarHBondContact O-N 3.21Å; N260-K262 PolarHBondContact O-N 2.77Å
261	L	96.9	Very high	96.7	Very high	91 Å²	91	70.7 Å²	70.7	48%	0.476	36%	0.355	S	S	.	.			trans	-58.1	127.6	-172.8	-166.4	68.7	0	0	0	110.7	Q137 G257	Q137-L261 HydrophobicContact CG-CD1 4.07Å; G257-L261 WeakPolarHBondContact O-CA 3.45Å; G257-L261 PolarHBondContact O-N 2.99Å
262	K	94.8	Very high	96.8	Very high	110 Å²	110	68 Å²	68	48%	0.478	34%	0.343	S	S	.	.			trans	-110.8	141.9	174.5	-64.1	-58.6	-175.4	-178.8	0	110.1	S141 I144 Y172 N260	S141-K262 PolarHBondContact OG-N 3.37Å; I144-K262 HydrophobicContact CD1-CG 4.49Å; I144-K262 HydrophobicContact CG2-CG 4.44Å; Y172-K262 HydrophobicContact CE1-CB 3.78Å; Y172-K262 WeakPolarHBondContact CE1-O 3.28Å; Y172-K262 PolarHBondContact OH-O 3.05Å; N260-K262 PolarHBondContact O-N 2.77Å
263	D	95.1	Very high	96.8	Very high	138 Å²	138	63.7 Å²	63.7	74%	0.738	32%	0.323	S	S	*	.			trans	-62.1	139.9	168	-67.1	-37.3	0	0	0	109.8	Y172 V265	Y172-D263 WeakPolarHBondContact CE1-O 3.45Å; D263-V265 PolarHBondContact O-N 3.11Å
264	P	94	Very high	96.9	Very high	46 Å²	46	63.7 Å²	63.7	30%	0.299	32%	0.323	S	S	.	.			trans	-52	138.2	176	-29	36.9	0	0	0	112.5	T171 L266	T171-P264 HydrophobicContact CG2-CB 3.82Å; T171-P264 HydrophobicContact CG2-CG 3.95Å; T171-P264 WeakPolarHBondContact O-CA 3.37Å; P264-L266 HydrophobicContact CB-CD2 3.91Å
265	V	94.4	Very high	96.9	Very high	84 Å²	84	63.1 Å²	63.1	51%	0.509	32%	0.32	S	S	.	.			trans	-105.7	98.3	172	-178.7	0	0	0	0	106.5	T171 Y172 S173 D263	T171-V265 CarbonylContact O-C 3.49Å; T171-V265 PolarHBondContact O-N 2.96Å; Y172-V265 CarbonylContact C-O 3.55Å; Y172-V265 HydrophobicContact CD1-CG2 4.48Å; S173-V265 PolarHBondContact N-O 3.21Å; S173-V265 PolarHBondContact OG-O 3.29Å; D263-V265 PolarHBondContact O-N 3.11Å
266	L	93.6	Very high	96.7	Very high	94 Å²	94	59.2 Å²	59.2	49%	0.492	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-71.5	131.4	-169.1	-56.6	-173.3	0	0	0	111.7	Y99 S173 P264	Y99-L266 HydrophobicContact CD1-CD2 3.86Å; Y99-L266 HydrophobicContact CE1-CD2 3.35Å; Y99-L266 HydrophobicContact CE2-CD2 4.09Å; Y99-L266 HydrophobicContact CG-CD2 4.42Å; Y99-L266 VanDerWaalsContact CZ-CD2 3.47Å; S173-L266 VanDerWaalsContact OG-C 3.31Å; P264-L266 HydrophobicContact CB-CD2 3.91Å
267	P	96.8	Very high	96.2	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.032	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-71.6	153.4	-178.7	29.3	-34.2	0	0	0	111	T97 Y170 S173 D271 H292	T97-P267 HydrophobicContact CG2-CG 4.44Å; T97-P267 WeakPolarHBondContact CG2-O 3.41Å; Y170-P267 VanDerWaalsContact O-CD 3.31Å; Y170-P267 WeakPolarHBondContact O-CD 3.04Å; S173-P267 WeakPolarHBondContact OG-CA 3.34Å; S173-P267 VanDerWaalsContact OG-N 3.17Å; P267-D271 HydrophobicContact CB-CB 4.47Å; P267-H292 WeakPolarHBondContact CB-NE2 3.39Å
268	Q	97.6	Very high	95.2	Very high	100 Å²	100	59.6 Å²	59.6	47%	0.467	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-98.3	159.8	166.1	-59.6	-58.7	-54.6	0	0	110.5	Q270 D271	Q268-Q270 VanDerWaalsContact CB-CD 3.49Å; Q268-Q270 HydrophobicContact CB-CG 4.45Å; Q268-Q270 VanDerWaalsContact CB-NE2 3.33Å; Q268-Q270 PolarHBondContact O-N 3.27Å; Q268-Q270 VanDerWaalsContact O-N 3.14Å; Q268-D271 WeakPolarHBondContact CB-OD2 3.3Å; Q268-D271 PolarHBondContact N-OD2 3.12Å; Q268-D271 WeakPolarHBondContact O-CB 3.26Å; Q268-D271 PolarHBondContact O-N 3.07Å
269	P	97.9	Very high	93.5	Very high	38 Å²	38	59.1 Å²	59.1	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.9	-179.2	-28.7	37.5	0	0	0	114.3	R96 T97 D271 T291 H292 G293	R96-P269 HydrophobicContact CB-CG 3.88Å; T97-P269 HydrophobicContact CG2-CG 4.26Å; P269-D271 VanDerWaalsContact C-N 3.31Å; P269-D271 PolarHBondContact O-N 3.33Å; P269-T291 VanDerWaalsContact O-CB 3.32Å; P269-T291 WeakPolarHBondContact O-CB 3.39Å; P269-T291 PolarHBondContact O-OG1 3.11Å; P269-H292 PolarHBondContact O-N 3.42Å; P269-G293 PolarHBondContact O-N 3.06Å
270	Q	97.8	Very high	91.2	Very high	120 Å²	120	54 Å²	54	56%	0.561	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.1	178.9	65.7	-85.1	12.8	0	0	114.6	Q268 T291	Q268-Q270 VanDerWaalsContact CB-CD 3.49Å; Q268-Q270 HydrophobicContact CB-CG 4.45Å; Q268-Q270 VanDerWaalsContact CB-NE2 3.33Å; Q268-Q270 PolarHBondContact O-N 3.27Å; Q268-Q270 VanDerWaalsContact O-N 3.14Å; Q270-T291 WeakPolarHBondContact O-CG2 3.48Å
271	D	98.1	Very high	88.5	Confident	56 Å²	56	55.1 Å²	55.1	30%	0.299	30%	0.304	S	S	.	.	S	Bend	trans	-73.9	149.5	-179.1	-64.1	-29.7	0	0	0	110.6	P267 Q268 P269 A273 T291 H292	P267-D271 HydrophobicContact CB-CB 4.47Å; Q268-D271 WeakPolarHBondContact CB-OD2 3.3Å; Q268-D271 PolarHBondContact N-OD2 3.12Å; Q268-D271 WeakPolarHBondContact O-CB 3.26Å; Q268-D271 PolarHBondContact O-N 3.07Å; P269-D271 VanDerWaalsContact C-N 3.31Å; P269-D271 PolarHBondContact O-N 3.33Å; D271-A273 PolarHBondContact O-N 3.26Å; D271-T291 CarbonylContact O-C 3.53Å; D271-T291 WeakPolarHBondContact O-CA 3.44Å; D271-T291 VanDerWaalsContact O-CB 3.3Å; D271-T291 WeakPolarHBondContact O-CB 3.5Å; D271-H292 PolarHBondContact O-CD2 3.01Å; D271-H292 PolarHBondContact O-N 3.01Å
272	L	98.3	Very high	86	Confident	27 Å²	27	54.3 Å²	54.3	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.3	179.3	-66	-178.6	0	0	0	110	F151 A175 V275 M289 T291 K519	F151-L272 HydrophobicContact CE1-CD1 4.12Å; F151-L272 HydrophobicContact CZ-CD1 4.16Å; A175-L272 HydrophobicContact CB-CB 3.78Å; L272-V275 HydrophobicContact CD1-CG2 4.37Å; L272-M289 HydrophobicContact CD1-SD 4.34Å; L272-M289 HydrophobicContact CD2-CB 3.78Å; L272-M289 HydrophobicContact CD2-CG 4.41Å; L272-T291 HydrophobicContact CD2-CG2 4.21Å; L272-K519 HydrophobicContact CD2-CD 4.46Å
273	A	98.2	Very high	84.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-45.6	170.7	0	0	0	0	0	110.4	V98 Y170 A175 L176 D271 I290 I295	V98-A273 HydrophobicContact CG2-CB 4.45Å; Y170-A273 HydrophobicContact CD1-CB 4.46Å; Y170-A273 HydrophobicContact CE1-CB 3.85Å; Y170-A273 WeakPolarHBondContact CE1-O 3.19Å; A175-A273 WeakPolarHBondContact CA-O 3.17Å; L176-A273 PolarHBondContact N-O 3.36Å; D271-A273 PolarHBondContact O-N 3.26Å; A273-I290 PolarHBondContact N-O 2.9Å; A273-I295 HydrophobicContact CB-CD1 3.84Å
274	V	98.1	Very high	83	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.5	-175.7	60.2	0	0	0	0	111.7	L176 P178 C276 I290 I295 M327	L176-V274 HydrophobicContact CD2-CG2 4.33Å; L176-V274 VanDerWaalsContact O-CA 3.28Å; L176-V274 WeakPolarHBondContact O-CA 3.35Å; L176-V274 WeakPolarHBondContact O-CG2 3.33Å; P178-V274 HydrophobicContact CG-CG2 4.34Å; V274-C276 VanDerWaalsContact CG2-SG 3.56Å; V274-I290 HydrophobicContact CG1-CB 3.68Å; V274-I290 HydrophobicContact CG1-CG1 4.11Å; V274-I290 HydrophobicContact CG1-CG2 4.18Å; V274-I290 PolarHBondContact N-O 3.47Å; V274-I290 VanDerWaalsContact N-O 3.17Å; V274-I290 PolarHBondContact O-N 3.39Å; V274-I295 HydrophobicContact CG1-CD1 4.37Å; V274-M327 HydrophobicContact CG1-SD 3.87Å
275	V	97.8	Very high	82.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	100.3	166.3	-175	0	0	0	0	109.8	F151 L176 V177 P178 L272 F277 A288 M289 L522	F151-V275 HydrophobicContact CD1-CG2 4.23Å; F151-V275 HydrophobicContact CE1-CG2 3.57Å; F151-V275 HydrophobicContact CZ-CG2 4.38Å; L176-V275 PolarHBondContact O-N 2.96Å; V177-V275 HydrophobicContact CG2-CB 4.3Å; P178-V275 VanDerWaalsContact CD-O 3.24Å; P178-V275 WeakPolarHBondContact CD-O 3.25Å; L272-V275 HydrophobicContact CD1-CG2 4.37Å; V275-F277 HydrophobicContact CG1-CD2 4.48Å; V275-F277 HydrophobicContact CG1-CE2 3.97Å; V275-F277 HydrophobicContact CG1-CZ 4.46Å; V275-A288 CarbonylContact C-O 3.57Å; V275-A288 WeakPolarHBondContact CA-O 3.26Å; V275-M289 HydrophobicContact CG2-CG 4.43Å; V275-L522 HydrophobicContact CG1-CB 4.21Å; V275-L522 HydrophobicContact CG1-CD2 4.18Å
276	C	93.7	Very high	82.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.2	-178.6	-79.3	0	0	0	0	111.3	V274 A288 M327 T463	V274-C276 VanDerWaalsContact CG2-SG 3.56Å; C276-A288 PolarHBondContact N-O 3.5Å; C276-A288 WeakPolarHBondContact O-CB 3.27Å; C276-A288 PolarHBondContact O-N 3.41Å; C276-M327 VanDerWaalsContact SG-SD 3.67Å; C276-T463 HydrophobicContact CB-CG2 3.5Å; C276-T463 VanDerWaalsContact CB-CG2 3.5Å
277	F	88.6	Confident	82.2	Confident	24 Å²	24	43 Å²	43	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.9	176.4	-78.5	-92.9	0	0	0	112.3	V177 I191 L194 V275 P285 K286 G287 L522	V177-F277 HydrophobicContact CG1-CD2 3.95Å; V177-F277 HydrophobicContact CG1-CE2 3.68Å; I191-F277 HydrophobicContact CB-CD2 4.46Å; I191-F277 HydrophobicContact CB-CE1 4.33Å; I191-F277 HydrophobicContact CB-CE2 4.3Å; I191-F277 HydrophobicContact CB-CZ 4.21Å; I191-F277 HydrophobicContact CD1-CB 3.86Å; I191-F277 HydrophobicContact CD1-CD1 4.09Å; I191-F277 HydrophobicContact CD1-CD2 4.22Å; I191-F277 HydrophobicContact CD1-CG 3.78Å; I191-F277 HydrophobicContact CG1-CB 4.28Å; I191-F277 HydrophobicContact CG1-CD1 3.54Å; I191-F277 HydrophobicContact CG1-CD2 4.01Å; I191-F277 HydrophobicContact CG1-CE1 3.72Å; I191-F277 HydrophobicContact CG1-CE2 4.21Å; I191-F277 HydrophobicContact CG1-CG 3.66Å; I191-F277 HydrophobicContact CG1-CZ 4.05Å; I191-F277 HydrophobicContact CG2-CD2 3.69Å; I191-F277 HydrophobicContact CG2-CE1 4.32Å; I191-F277 HydrophobicContact CG2-CE2 3.44Å; I191-F277 VanDerWaalsContact CG2-CE2 3.44Å; I191-F277 HydrophobicContact CG2-CG 4.25Å; I191-F277 HydrophobicContact CG2-CZ 3.76Å; L194-F277 HydrophobicContact CD2-CE1 3.77Å; L194-F277 HydrophobicContact CD2-CZ 4.07Å; V275-F277 HydrophobicContact CG1-CD2 4.48Å; V275-F277 HydrophobicContact CG1-CE2 3.97Å; V275-F277 HydrophobicContact CG1-CZ 4.46Å; F277-P285 HydrophobicContact CB-CB 4.07Å; F277-P285 HydrophobicContact CD1-CB 3.96Å; F277-P285 HydrophobicContact CG-CB 4.48Å; F277-K286 CarbonylContact C-O 3.46Å; F277-K286 VanDerWaalsContact CA-O 3.28Å; F277-K286 WeakPolarHBondContact CA-O 3.3Å; F277-K286 VanDerWaalsContact CD1-C 3.48Å; F277-G287 VanDerWaalsContact CD1-N 3.33Å; F277-L522 HydrophobicContact CZ-CD2 4.38Å
278	T	75.3	Confident	82.2	Confident	25 Å²	25	42.8 Å²	42.8	15%	0.153	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.3	177.6	65.1	0	0	0	0	110.9	G280 P285 K286 T463	T278-G280 PolarHBondContact O-N 3.38Å; T278-P285 CarbonylContact O-C 3.59Å; T278-P285 WeakPolarHBondContact O-CA 3.3Å; T278-K286 PolarHBondContact N-O 3.26Å; T278-K286 PolarHBondContact O-N 3.35Å; T278-T463 HydrophobicContact CG2-CG2 3.95Å
279	S	62	Low	82.2	Confident	80 Å²	80	39.3 Å²	39.3	56%	0.559	24%	0.235	S	C	*	.			trans	-75.4	88.8	171.6	46.9	0	0	0	0	109.3
280	G	49.6	Very low	82.2	Confident	23 Å²	23	37.5 Å²	37.5	24%	0.237	22%	0.223	C	C	.	.			trans	-67	167.4	173.3	0	0	0	0	0	112.5	T278 T282 G283	T278-G280 PolarHBondContact O-N 3.38Å; G280-T282 PolarHBondContact O-N 2.92Å; G280-G283 PolarHBondContact O-N 2.69Å
281	T	39.3	Very low	82.3	Confident	94 Å²	94	32.4 Å²	32.4	58%	0.577	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-15	175.7	51.6	0	0	0	0	114	K559	T281-K559 HydrophobicContact CG2-CB 4.34Å; T281-K559 HydrophobicContact CG2-CD 4.15Å
282	T	45.2	Very low	82.3	Confident	75 Å²	75	29.8 Å²	29.8	46%	0.46	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7.3	-175.2	54.9	0	0	0	0	114.3	G280 K284 R527	G280-T282 PolarHBondContact O-N 2.92Å; T282-K284 VanDerWaalsContact C-N 3.3Å; T282-K284 PolarHBondContact O-N 2.75Å; T282-R527 PolarHBondContact OG1-NH2 3.45Å
283	G	56.1	Low	82.3	Confident	67 Å²	67	29.2 Å²	29.2	69%	0.691	19%	0.187	S	C	*	.	S	Bend	trans	82.9	-38.3	172.5	0	0	0	0	0	116.2	G280	G280-G283 PolarHBondContact O-N 2.69Å
284	K	70.3	Confident	82.3	Confident	134 Å²	134	29.9 Å²	29.9	58%	0.583	19%	0.19	S	C	*	.	S	Bend	trans	-89.2	131.8	173.9	-68.1	-174.6	-178.4	178.6	0	111.8	T282	T282-K284 VanDerWaalsContact C-N 3.3Å; T282-K284 PolarHBondContact O-N 2.75Å
285	P	81.8	Confident	82.3	Confident	7 Å²	7	29.9 Å²	29.9	5%	0.045	19%	0.19	C	C	.	.			trans	-63.9	146.1	178	-21.9	32.5	0	0	0	113.2	L183 A187 H190 I191 F277 T278	L183-P285 HydrophobicContact CD2-CG 4.1Å; A187-P285 HydrophobicContact CB-CG 3.83Å; H190-P285 PolarHBondContact NE2-O 3.49Å; I191-P285 HydrophobicContact CD1-CB 4.38Å; I191-P285 HydrophobicContact CD1-CG 4.47Å; F277-P285 HydrophobicContact CB-CB 4.07Å; F277-P285 HydrophobicContact CD1-CB 3.96Å; F277-P285 HydrophobicContact CG-CB 4.48Å; T278-P285 CarbonylContact O-C 3.59Å; T278-P285 WeakPolarHBondContact O-CA 3.3Å
286	K	89.1	Confident	82.3	Confident	25 Å²	25	29.9 Å²	29.9	11%	0.109	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.3	178.6	-54.5	178.7	-63.4	166.3	0	110.2	F277 T278 A288 Y521 R527	F277-K286 CarbonylContact C-O 3.46Å; F277-K286 VanDerWaalsContact CA-O 3.28Å; F277-K286 WeakPolarHBondContact CA-O 3.3Å; F277-K286 VanDerWaalsContact CD1-C 3.48Å; T278-K286 PolarHBondContact N-O 3.26Å; T278-K286 PolarHBondContact O-N 3.35Å; K286-A288 PolarHBondContact O-N 3.22Å; K286-Y521 HydrophobicContact CB-CD1 3.62Å; K286-Y521 HydrophobicContact CB-CE1 3.89Å; K286-Y521 HydrophobicContact CB-CG 4.18Å; K286-Y521 HydrophobicContact CD-CE1 4.4Å; K286-Y521 HydrophobicContact CD-CE2 4.41Å; K286-Y521 PolarHBondContact NZ-OH 3.26Å; K286-R527 HydrophobicContact CD-CB 4.42Å
287	G	94.2	Very high	82.5	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	99.7	-177.3	0	0	0	0	0	112.2	F277 M289 Y521 L522	F277-G287 VanDerWaalsContact CD1-N 3.33Å; G287-M289 PolarHBondContact O-N 2.96Å; G287-Y521 CarbonylContact O-C 3.54Å; G287-Y521 WeakPolarHBondContact O-CA 3.36Å; G287-L522 PolarHBondContact O-N 2.94Å
288	A	96.6	Very high	83	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	118.3	174.2	0	0	0	0	0	110.4	V275 C276 K286 I290 T463 F518 Y521	V275-A288 CarbonylContact C-O 3.57Å; V275-A288 WeakPolarHBondContact CA-O 3.26Å; C276-A288 PolarHBondContact N-O 3.5Å; C276-A288 WeakPolarHBondContact O-CB 3.27Å; C276-A288 PolarHBondContact O-N 3.41Å; K286-A288 PolarHBondContact O-N 3.22Å; A288-I290 PolarHBondContact O-N 3.33Å; A288-T463 HydrophobicContact CB-CG2 3.69Å; A288-F518 HydrophobicContact CB-CD2 3.78Å; A288-F518 HydrophobicContact CB-CE2 4.29Å; A288-Y521 HydrophobicContact CB-CD1 4.46Å; A288-Y521 HydrophobicContact CB-CE1 4.37Å
289	M	98.4	Very high	84	Confident	28 Å²	28	27.9 Å²	27.9	14%	0.138	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	107.4	-177.5	-67.5	-171.5	-69.4	0	0	111.3	L272 V275 G287 F518 K519 G520 L522	L272-M289 HydrophobicContact CD1-SD 4.34Å; L272-M289 HydrophobicContact CD2-CB 3.78Å; L272-M289 HydrophobicContact CD2-CG 4.41Å; V275-M289 HydrophobicContact CG2-CG 4.43Å; G287-M289 PolarHBondContact O-N 2.96Å; M289-F518 WeakPolarHBondContact O-CB 3.37Å; M289-K519 HydrophobicContact CB-CB 4.1Å; M289-K519 HydrophobicContact CE-CB 4.44Å; M289-K519 HydrophobicContact CE-CG 4.32Å; M289-K519 PolarHBondContact O-N 3.5Å; M289-G520 WeakPolarHBondContact CB-O 3.49Å; M289-G520 PolarHBondContact N-O 3.07Å; M289-L522 HydrophobicContact CG-CB 4.07Å; M289-L522 HydrophobicContact CG-CD1 4.4Å; M289-L522 HydrophobicContact SD-CB 4.34Å; M289-L522 HydrophobicContact SD-CD1 3.93Å
290	I	98.6	Very high	85.7	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.5	-178.2	-48.7	-60.5	0	0	0	109.8	A273 V274 A288 N294 I295 M327 T463 T466 F518	A273-I290 PolarHBondContact N-O 2.9Å; V274-I290 HydrophobicContact CG1-CB 3.68Å; V274-I290 HydrophobicContact CG1-CG1 4.11Å; V274-I290 HydrophobicContact CG1-CG2 4.18Å; V274-I290 PolarHBondContact N-O 3.47Å; V274-I290 VanDerWaalsContact N-O 3.17Å; V274-I290 PolarHBondContact O-N 3.39Å; A288-I290 PolarHBondContact O-N 3.33Å; I290-N294 HydrophobicContact CG2-CB 3.91Å; I290-I295 HydrophobicContact CG2-CD1 4.13Å; I290-I295 HydrophobicContact CG2-CG1 3.83Å; I290-M327 HydrophobicContact CG2-CE 4.38Å; I290-T463 VanDerWaalsContact CD1-O 3.28Å; I290-T463 WeakPolarHBondContact CD1-O 3.09Å; I290-T466 HydrophobicContact CG2-CG2 3.78Å; I290-F518 HydrophobicContact CD1-CB 3.55Å
291	T	98.7	Very high	87.9	Confident	13 Å²	13	23.2 Å²	23.2	8%	0.08	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	165.1	-179.4	67	0	0	0	0	112.6	P269 Q270 D271 L272 G293 N294 I295	P269-T291 VanDerWaalsContact O-CB 3.32Å; P269-T291 WeakPolarHBondContact O-CB 3.39Å; P269-T291 PolarHBondContact O-OG1 3.11Å; Q270-T291 WeakPolarHBondContact O-CG2 3.48Å; D271-T291 CarbonylContact O-C 3.53Å; D271-T291 WeakPolarHBondContact O-CA 3.44Å; D271-T291 VanDerWaalsContact O-CB 3.3Å; D271-T291 WeakPolarHBondContact O-CB 3.5Å; L272-T291 HydrophobicContact CD2-CG2 4.21Å; T291-G293 VanDerWaalsContact C-N 3.29Å; T291-G293 PolarHBondContact O-N 2.57Å; T291-N294 PolarHBondContact N-OD1 2.93Å; T291-N294 PolarHBondContact O-N 2.92Å; T291-N294 PolarHBondContact OG1-N 3.41Å; T291-N294 VanDerWaalsContact OG1-N 3.1Å; T291-N294 PolarHBondContact OG1-ND2 3.44Å; T291-N294 PolarHBondContact OG1-OD1 3.4Å; T291-I295 PolarHBondContact O-N 3.35Å
292	H	98.5	Very high	90.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-41.7	172.2	-81.3	-91.1	0	0	0	112.3	T97 V98 Y170 P267 P269 D271 I295 A296	T97-H292 HydrophobicContact CG2-CB 4.02Å; V98-H292 PolarHBondContact N-ND1 3.04Å; Y170-H292 AromaticContact CD1-CE1 3.56Å; Y170-H292 AromaticContact CD1-NE2 3.94Å; Y170-H292 AromaticContact CG-CE1 3.9Å; P267-H292 WeakPolarHBondContact CB-NE2 3.39Å; P269-H292 PolarHBondContact O-N 3.42Å; D271-H292 PolarHBondContact O-CD2 3.01Å; D271-H292 PolarHBondContact O-N 3.01Å; H292-I295 PolarHBondContact O-N 3.14Å; H292-A296 WeakPolarHBondContact O-CB 3.48Å; H292-A296 PolarHBondContact O-N 3.15Å
293	G	98.4	Very high	92.9	Very high	16 Å²	16	16.7 Å²	16.7	17%	0.165	10%	0.103	C	C	.	.	H	α-helix	trans	-68.9	-33	178.3	0	0	0	0	0	113.1	P269 T291 I295 A296 S297	P269-G293 PolarHBondContact O-N 3.06Å; T291-G293 VanDerWaalsContact C-N 3.29Å; T291-G293 PolarHBondContact O-N 2.57Å; G293-I295 VanDerWaalsContact C-N 3.32Å; G293-I295 PolarHBondContact O-N 3.33Å; G293-A296 PolarHBondContact O-N 3.21Å; G293-S297 WeakPolarHBondContact O-CB 3.24Å; G293-S297 PolarHBondContact O-N 3.29Å; G293-S297 PolarHBondContact O-OG 2.95Å
294	N	98.5	Very high	94.8	Very high	13 Å²	13	16.3 Å²	16.3	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-44.6	172.5	-63.5	143.5	0	0	0	111.4	I290 T291 S297 N298 T466 P515 V517	I290-N294 HydrophobicContact CG2-CB 3.91Å; T291-N294 PolarHBondContact N-OD1 2.93Å; T291-N294 PolarHBondContact O-N 2.92Å; T291-N294 PolarHBondContact OG1-N 3.41Å; T291-N294 VanDerWaalsContact OG1-N 3.1Å; T291-N294 PolarHBondContact OG1-ND2 3.44Å; T291-N294 PolarHBondContact OG1-OD1 3.4Å; N294-S297 PolarHBondContact O-OG 3.06Å; N294-N298 WeakPolarHBondContact O-CB 3.39Å; N294-N298 PolarHBondContact O-N 2.81Å; N294-T466 HydrophobicContact CB-CG2 4.21Å; N294-T466 WeakPolarHBondContact CB-OG1 2.96Å; N294-P515 WeakPolarHBondContact CA-O 3.42Å; N294-P515 PolarHBondContact ND2-O 2.99Å; N294-V517 PolarHBondContact ND2-O 3.34Å
295	I	98.4	Very high	96	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.8	-46.4	179.4	-67.2	169.7	0	0	0	110.6	V98 M101 A273 V274 I290 T291 H292 G293 S297 N298 T299 M327 M331 L334 T466	V98-I295 HydrophobicContact CG2-CB 3.82Å; V98-I295 HydrophobicContact CG2-CD1 3.77Å; V98-I295 HydrophobicContact CG2-CG1 4.39Å; V98-I295 HydrophobicContact CG2-CG2 3.65Å; M101-I295 HydrophobicContact SD-CG2 4.29Å; A273-I295 HydrophobicContact CB-CD1 3.84Å; V274-I295 HydrophobicContact CG1-CD1 4.37Å; I290-I295 HydrophobicContact CG2-CD1 4.13Å; I290-I295 HydrophobicContact CG2-CG1 3.83Å; T291-I295 PolarHBondContact O-N 3.35Å; H292-I295 PolarHBondContact O-N 3.14Å; G293-I295 VanDerWaalsContact C-N 3.32Å; G293-I295 PolarHBondContact O-N 3.33Å; I295-S297 PolarHBondContact O-N 3.28Å; I295-N298 PolarHBondContact O-N 3.15Å; I295-T299 PolarHBondContact O-N 2.87Å; I295-T299 PolarHBondContact O-OG1 3.36Å; I295-M327 HydrophobicContact CD1-CE 4.33Å; I295-M327 HydrophobicContact CG1-CE 4.16Å; I295-M331 HydrophobicContact CB-SD 4.44Å; I295-M331 HydrophobicContact CG1-SD 4.25Å; I295-M331 HydrophobicContact CG2-CE 4.09Å; I295-M331 HydrophobicContact CG2-SD 3.92Å; I295-L334 HydrophobicContact CD1-CD1 4.34Å; I295-L334 HydrophobicContact CG2-CD1 3.62Å; I295-T466 HydrophobicContact CB-CG2 4.37Å; I295-T466 HydrophobicContact CG1-CG2 3.69Å
296	A	97.9	Very high	96.5	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-60.1	-43.1	-178.9	0	0	0	0	0	112.4	R96 H292 G293 S300	R96-A296 VanDerWaalsContact O-CB 3.32Å; R96-A296 WeakPolarHBondContact O-CB 3.37Å; H292-A296 WeakPolarHBondContact O-CB 3.48Å; H292-A296 PolarHBondContact O-N 3.15Å; G293-A296 PolarHBondContact O-N 3.21Å; A296-S300 WeakPolarHBondContact O-CB 3.43Å; A296-S300 PolarHBondContact O-N 3.13Å; A296-S300 PolarHBondContact O-OG 3.02Å
297	S	98	Very high	96.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-67.1	-39.3	177.7	59.6	0	0	0	0	113.1	E89 G293 N294 I295 S300 S301 P515	E89-S297 WeakPolarHBondContact O-CA 3.06Å; E89-S297 VanDerWaalsContact O-CB 3.27Å; E89-S297 WeakPolarHBondContact O-CB 3.37Å; E89-S297 PolarHBondContact O-N 3.46Å; G293-S297 WeakPolarHBondContact O-CB 3.24Å; G293-S297 PolarHBondContact O-N 3.29Å; G293-S297 PolarHBondContact O-OG 2.95Å; N294-S297 PolarHBondContact O-OG 3.06Å; I295-S297 PolarHBondContact O-N 3.28Å; S297-S300 PolarHBondContact O-N 3.04Å; S297-S301 WeakPolarHBondContact O-CB 3.31Å; S297-S301 PolarHBondContact O-N 3.44Å; S297-S301 PolarHBondContact O-OG 3.04Å; S297-P515 PolarHBondContact OG-O 2.85Å
298	N	97.7	Very high	96.3	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.027	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-48.1	176.3	-161	-80.1	0	0	0	111.7	N294 I295 S300 S301 V302 M331 T466 G468	N294-N298 WeakPolarHBondContact O-CB 3.39Å; N294-N298 PolarHBondContact O-N 2.81Å; I295-N298 PolarHBondContact O-N 3.15Å; N298-S300 VanDerWaalsContact C-N 3.34Å; N298-S300 PolarHBondContact O-N 3.32Å; N298-S301 WeakPolarHBondContact O-CB 3.25Å; N298-S301 PolarHBondContact O-N 3.45Å; N298-V302 PolarHBondContact O-N 2.93Å; N298-V302 VanDerWaalsContact O-N 3.14Å; N298-M331 HydrophobicContact CB-CE 3.71Å; N298-T466 HydrophobicContact CB-CG2 4.34Å; N298-G468 PolarHBondContact ND2-O 3.5Å
299	T	96.9	Very high	95.9	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-42.2	175.2	-69.6	0	0	0	0	111.7	M101 I295 S301 V302 I303 M331 T335	M101-T299 HydrophobicContact CE-CG2 3.57Å; I295-T299 PolarHBondContact O-N 2.87Å; I295-T299 PolarHBondContact O-OG1 3.36Å; T299-S301 PolarHBondContact O-N 2.89Å; T299-V302 PolarHBondContact O-N 2.86Å; T299-V302 VanDerWaalsContact O-N 3.15Å; T299-I303 HydrophobicContact CG2-CD1 3.81Å; T299-I303 HydrophobicContact CG2-CG1 4.31Å; T299-I303 WeakPolarHBondContact O-CG1 3.48Å; T299-I303 PolarHBondContact O-N 2.94Å; T299-M331 VanDerWaalsContact OG1-CE 3.22Å; T299-M331 WeakPolarHBondContact OG1-CE 3.39Å; T299-T335 HydrophobicContact CG2-CG2 4.06Å; T299-T335 WeakPolarHBondContact CG2-OG1 3.41Å; T299-T335 PolarHBondContact OG1-OG1 3.15Å
300	S	97	Very high	95.6	Very high	5 Å²	5	17.4 Å²	17.4	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-38.2	176.6	-67.9	0	0	0	0	112.5	F90 Y91 A296 S297 N298 I303 K304	F90-S300 WeakPolarHBondContact CA-OG 3.5Å; Y91-S300 VanDerWaalsContact N-CB 3.29Å; Y91-S300 PolarHBondContact N-OG 3.42Å; A296-S300 WeakPolarHBondContact O-CB 3.43Å; A296-S300 PolarHBondContact O-N 3.13Å; A296-S300 PolarHBondContact O-OG 3.02Å; S297-S300 PolarHBondContact O-N 3.04Å; N298-S300 VanDerWaalsContact C-N 3.34Å; N298-S300 PolarHBondContact O-N 3.32Å; S300-I303 PolarHBondContact O-N 3.06Å; S300-K304 WeakPolarHBondContact O-CB 3.46Å; S300-K304 PolarHBondContact O-N 3.34Å
301	S	96.9	Very high	95.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-41.8	176.1	-69.7	0	0	0	0	113.4	S297 N298 T299 I303 K304 I305 C488	S297-S301 WeakPolarHBondContact O-CB 3.31Å; S297-S301 PolarHBondContact O-N 3.44Å; S297-S301 PolarHBondContact O-OG 3.04Å; N298-S301 WeakPolarHBondContact O-CB 3.25Å; N298-S301 PolarHBondContact O-N 3.45Å; T299-S301 PolarHBondContact O-N 2.89Å; S301-I303 VanDerWaalsContact C-N 3.35Å; S301-K304 PolarHBondContact O-N 3.42Å; S301-I305 WeakPolarHBondContact O-CG1 3.49Å; S301-I305 PolarHBondContact O-N 3.4Å; S301-C488 WeakPolarHBondContact OG-CB 3.45Å; S301-C488 PolarHBondContact OG-N 3.33Å; S301-C488 PolarHBondContact OG-SG 3.34Å
302	V	94.4	Very high	95.1	Very high	26 Å²	26	21.7 Å²	21.7	16%	0.158	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-45.1	173.8	175.6	0	0	0	0	110.1	N298 T299 K304 I305 L306 L486	N298-V302 PolarHBondContact O-N 2.93Å; N298-V302 VanDerWaalsContact O-N 3.14Å; T299-V302 PolarHBondContact O-N 2.86Å; T299-V302 VanDerWaalsContact O-N 3.15Å; V302-K304 VanDerWaalsContact C-N 3.31Å; V302-K304 PolarHBondContact O-N 3.12Å; V302-I305 PolarHBondContact O-N 2.87Å; V302-L306 HydrophobicContact CG1-CD1 3.99Å; V302-L306 HydrophobicContact CG1-CG 4.4Å; V302-L306 VanDerWaalsContact O-CG 3.31Å; V302-L306 WeakPolarHBondContact O-CG 3.32Å; V302-L306 PolarHBondContact O-N 2.88Å; V302-L486 HydrophobicContact CG2-CD2 4.4Å
303	I	95.1	Very high	95	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-56.8	-46.6	176	-68.2	168.9	0	0	0	110.8	Y91 Y92 T299 S300 S301 I305 L306 E307 Y339	Y91-I303 HydrophobicContact CD1-CG2 3.65Å; Y91-I303 HydrophobicContact CD2-CB 4.46Å; Y91-I303 HydrophobicContact CD2-CG2 3.85Å; Y91-I303 HydrophobicContact CE1-CG2 3.75Å; Y91-I303 HydrophobicContact CE2-CG2 3.92Å; Y91-I303 HydrophobicContact CG-CB 4.34Å; Y91-I303 HydrophobicContact CG-CG2 3.71Å; Y92-I303 HydrophobicContact CE2-CD1 4.12Å; T299-I303 HydrophobicContact CG2-CD1 3.81Å; T299-I303 HydrophobicContact CG2-CG1 4.31Å; T299-I303 WeakPolarHBondContact O-CG1 3.48Å; T299-I303 PolarHBondContact O-N 2.94Å; S300-I303 PolarHBondContact O-N 3.06Å; S301-I303 VanDerWaalsContact C-N 3.35Å; I303-I305 VanDerWaalsContact C-N 3.3Å; I303-I305 PolarHBondContact O-N 2.77Å; I303-L306 PolarHBondContact O-N 2.72Å; I303-E307 PolarHBondContact O-N 3.21Å; I303-Y339 HydrophobicContact CD1-CE2 3.73Å; I303-Y339 HydrophobicContact CG1-CE2 3.81Å; I303-Y339 WeakPolarHBondContact CG2-OH 3.28Å
304	K	95.7	Very high	94.8	Very high	59 Å²	59	31.4 Å²	31.4	26%	0.257	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-37.8	178.9	-176.7	60.3	180	175	0	112.8	L81 L88 Y91 S300 S301 V302 E307 P487	L81-K304 HydrophobicContact CB-CG 4.49Å; L81-K304 HydrophobicContact CD1-CG 4.42Å; L88-K304 HydrophobicContact CD2-CB 3.8Å; L88-K304 HydrophobicContact CD2-CG 4.2Å; Y91-K304 HydrophobicContact CD2-CB 4.09Å; Y91-K304 HydrophobicContact CD2-CD 4.26Å; Y91-K304 HydrophobicContact CE2-CB 4.31Å; Y91-K304 HydrophobicContact CE2-CD 3.93Å; S300-K304 WeakPolarHBondContact O-CB 3.46Å; S300-K304 PolarHBondContact O-N 3.34Å; S301-K304 PolarHBondContact O-N 3.42Å; V302-K304 VanDerWaalsContact C-N 3.31Å; V302-K304 PolarHBondContact O-N 3.12Å; K304-E307 WeakPolarHBondContact CD-OE2 3.43Å; K304-E307 WeakPolarHBondContact CE-OE2 3.28Å; K304-E307 IonicContact NZ-OE2 2.66Å; K304-E307 PolarHBondContact NZ-OE2 3.46Å; K304-E307 WeakPolarHBondContact O-CB 3.16Å; K304-E307 PolarHBondContact O-N 3.3Å; K304-P487 HydrophobicContact CB-CG 4.15Å; K304-P487 HydrophobicContact CG-CG 3.97Å
305	I	94.2	Very high	94.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-36.7	177.1	-73.6	176.5	0	0	0	112.1	L81 S301 V302 I303 E307 F471 L473 L486 P487	L81-I305 HydrophobicContact CD1-CB 4.36Å; L81-I305 HydrophobicContact CD1-CG1 3.67Å; S301-I305 WeakPolarHBondContact O-CG1 3.49Å; S301-I305 PolarHBondContact O-N 3.4Å; V302-I305 PolarHBondContact O-N 2.87Å; I303-I305 VanDerWaalsContact C-N 3.3Å; I303-I305 PolarHBondContact O-N 2.77Å; I305-E307 VanDerWaalsContact C-N 3.3Å; I305-F471 HydrophobicContact CD1-CB 3.76Å; I305-F471 HydrophobicContact CD1-CG 4.35Å; I305-F471 HydrophobicContact CG2-CD1 3.9Å; I305-F471 HydrophobicContact CG2-CE1 4.37Å; I305-L473 HydrophobicContact CG1-CD2 4.37Å; I305-L473 HydrophobicContact CG2-CD2 3.8Å; I305-L486 HydrophobicContact CD1-CD2 3.4Å; I305-L486 VanDerWaalsContact CD1-CD2 3.4Å; I305-P487 HydrophobicContact CG1-CG 4.41Å
306	L	92.9	Very high	94.7	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-76.6	-19.7	-180	-61.8	176.4	0	0	0	112.5	V302 I303 G308 S309 F310 I312 F432 I474	V302-L306 HydrophobicContact CG1-CD1 3.99Å; V302-L306 HydrophobicContact CG1-CG 4.4Å; V302-L306 VanDerWaalsContact O-CG 3.31Å; V302-L306 WeakPolarHBondContact O-CG 3.32Å; V302-L306 PolarHBondContact O-N 2.88Å; I303-L306 PolarHBondContact O-N 2.72Å; L306-G308 PolarHBondContact O-N 3.43Å; L306-S309 PolarHBondContact O-N 2.86Å; L306-F310 HydrophobicContact CB-CB 4.48Å; L306-F310 HydrophobicContact CD1-CD1 4.29Å; L306-F310 HydrophobicContact CD2-CB 4.22Å; L306-F310 HydrophobicContact CD2-CD1 4.42Å; L306-F310 PolarHBondContact O-N 3.49Å; L306-I312 HydrophobicContact CD1-CD1 4.43Å; L306-F432 HydrophobicContact CD2-CE2 3.99Å; L306-F432 HydrophobicContact CD2-CZ 4.21Å; L306-I474 HydrophobicContact CD2-CD1 3.58Å; L306-I474 HydrophobicContact CD2-CG1 4.49Å
307	E	91.8	Very high	94.7	Very high	87 Å²	87	36.9 Å²	36.9	41%	0.407	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	128.3	-177.5	-168.1	-179.2	-163.9	0	0	112.3	Y91 I303 K304 I305 S309	Y91-E307 PolarHBondContact OH-OE1 2.87Å; I303-E307 PolarHBondContact O-N 3.21Å; K304-E307 WeakPolarHBondContact CD-OE2 3.43Å; K304-E307 WeakPolarHBondContact CE-OE2 3.28Å; K304-E307 IonicContact NZ-OE2 2.66Å; K304-E307 PolarHBondContact NZ-OE2 3.46Å; K304-E307 WeakPolarHBondContact O-CB 3.16Å; K304-E307 PolarHBondContact O-N 3.3Å; I305-E307 VanDerWaalsContact C-N 3.3Å; E307-S309 PolarHBondContact O-N 3.38Å
308	G	87.2	Confident	94.7	Very high	78 Å²	78	36.9 Å²	36.9	80%	0.804	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	-13.6	-179.5	0	0	0	0	0	116	L306	L306-G308 PolarHBondContact O-N 3.43Å
309	S	88.6	Confident	94.7	Very high	20 Å²	20	36.6 Å²	36.6	14%	0.14	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-35.3	-175.2	-58.9	0	0	0	0	113.3	R58 L306 E307	R58-S309 PolarHBondContact O-OG 2.9Å; L306-S309 PolarHBondContact O-N 2.86Å; E307-S309 PolarHBondContact O-N 3.38Å
310	F	92.3	Very high	94.6	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.088	20%	0.196	C	C	.	.			trans	-150	143.3	178.8	-177.2	-94.6	0	0	0	110.6	L306 I312 R431 F432 I455 I474	L306-F310 HydrophobicContact CB-CB 4.48Å; L306-F310 HydrophobicContact CD1-CD1 4.29Å; L306-F310 HydrophobicContact CD2-CB 4.22Å; L306-F310 HydrophobicContact CD2-CD1 4.42Å; L306-F310 PolarHBondContact O-N 3.49Å; F310-I312 HydrophobicContact CD1-CG1 4.39Å; F310-I312 HydrophobicContact CE1-CG1 3.93Å; F310-R431 HydrophobicContact CE2-CB 4.06Å; F310-R431 HydrophobicContact CZ-CB 4.37Å; F310-F432 HydrophobicContact CD1-CD2 4.34Å; F310-F432 HydrophobicContact CD2-CD2 4.28Å; F310-F432 HydrophobicContact CE1-CB 4.22Å; F310-F432 HydrophobicContact CE1-CD2 4.36Å; F310-F432 HydrophobicContact CE1-CG 4.39Å; F310-F432 HydrophobicContact CE2-CB 3.9Å; F310-F432 HydrophobicContact CE2-CD2 4.28Å; F310-F432 HydrophobicContact CG-CD2 4.3Å; F310-F432 HydrophobicContact CZ-CB 3.63Å; F310-F432 HydrophobicContact CZ-CD2 4.33Å; F310-F432 HydrophobicContact CZ-CG 4.24Å; F310-I455 HydrophobicContact CB-CD1 4.35Å; F310-I455 HydrophobicContact CD2-CD1 3.83Å; F310-I455 HydrophobicContact CG-CD1 4.46Å; F310-I474 HydrophobicContact CB-CD1 3.57Å
311	V	91.9	Very high	94.4	Very high	90 Å²	90	37.1 Å²	37.1	55%	0.545	20%	0.198	S	C	.	.			trans	-126.5	121.9	179.4	179.8	0	0	0	0	108.8	R431	V311-R431 PolarHBondContact O-NH2 3.39Å
312	I	95.1	Very high	94	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.067	20%	0.201	C	C	.	.			trans	-71.6	128.9	166.7	-57.5	171.4	0	0	0	107.3	L306 F310 T335 M336 Y339 A341	L306-I312 HydrophobicContact CD1-CD1 4.43Å; F310-I312 HydrophobicContact CD1-CG1 4.39Å; F310-I312 HydrophobicContact CE1-CG1 3.93Å; I312-T335 HydrophobicContact CD1-CG2 3.7Å; I312-M336 HydrophobicContact CG2-SD 4.04Å; I312-Y339 HydrophobicContact CB-CD1 4.13Å; I312-Y339 HydrophobicContact CB-CD2 4.23Å; I312-Y339 HydrophobicContact CB-CG 3.89Å; I312-Y339 HydrophobicContact CD1-CD2 4.13Å; I312-Y339 HydrophobicContact CD1-CE2 4.4Å; I312-Y339 HydrophobicContact CG2-CD2 4.46Å; I312-Y339 HydrophobicContact CG2-CG 4.01Å; I312-Y339 WeakPolarHBondContact O-CD1 3.37Å; I312-A341 HydrophobicContact CG2-CB 4.17Å
313	R	95.3	Very high	93.6	Very high	135 Å²	135	37.5 Å²	37.5	51%	0.509	20%	0.2	S	C	.	.			trans	-112.1	160.3	-177.4	-48.7	179	-175.5	166.3	-2.1	110.2	E315 D316 A341 R431	R313-E315 WeakPolarHBondContact CB-OE2 3.43Å; R313-E315 PolarHBondContact O-N 3.32Å; R313-D316 PolarHBondContact N-OD2 3.41Å; R313-D316 VanDerWaalsContact O-CB 3.25Å; R313-D316 WeakPolarHBondContact O-CB 3.44Å; R313-D316 PolarHBondContact O-N 3.14Å; R313-A341 WeakPolarHBondContact O-CB 3.23Å; R313-R431 VanDerWaalsContact CD-NH1 3.3Å
314	Q	95.7	Very high	93.4	Very high	85 Å²	85	37.3 Å²	37.3	40%	0.397	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.9	178.1	-61.6	174.5	19.8	0	0	112.1	I108 D316	I108-Q314 HydrophobicContact CG2-CG 3.9Å; I108-Q314 VanDerWaalsContact O-CD 3.26Å; I108-Q314 PolarHBondContact O-NE2 3.35Å; I108-Q314 PolarHBondContact O-OE1 3.45Å; Q314-D316 PolarHBondContact O-N 3.43Å
315	E	95.6	Very high	93	Very high	119 Å²	119	35.1 Å²	35.1	56%	0.556	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.7	178.2	-48.2	75.9	-152.5	0	0	112.7	R313	R313-E315 WeakPolarHBondContact CB-OE2 3.43Å; R313-E315 PolarHBondContact O-N 3.32Å
316	D	98	Very high	92.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	20%	0.203	C	C	.	.			trans	-65	143.6	-179.3	-79.8	-43.1	0	0	0	111.6	R313 Q314 M336 A341 R342 T363 L364 R431	R313-D316 PolarHBondContact N-OD2 3.41Å; R313-D316 VanDerWaalsContact O-CB 3.25Å; R313-D316 WeakPolarHBondContact O-CB 3.44Å; R313-D316 PolarHBondContact O-N 3.14Å; Q314-D316 PolarHBondContact O-N 3.43Å; D316-M336 HydrophobicContact CB-CE 4.01Å; D316-A341 HydrophobicContact CB-CB 4.32Å; D316-R342 WeakPolarHBondContact O-CG 3.3Å; D316-R342 PolarHBondContact O-N 2.82Å; D316-T363 WeakPolarHBondContact CA-OG1 3.37Å; D316-T363 WeakPolarHBondContact CB-OG1 3.44Å; D316-T363 WeakPolarHBondContact OD1-CB 3.24Å; D316-T363 PolarHBondContact OD1-OG1 3.48Å; D316-L364 HydrophobicContact CB-CD1 3.47Å; D316-L364 VanDerWaalsContact CB-CD1 3.47Å; D316-R431 IonicContact OD1-CZ 2.69Å; D316-R431 IonicContact OD1-NE 3.94Å; D316-R431 IonicContact OD1-NH1 3.29Å; D316-R431 PolarHBondContact OD1-NH1 2.87Å; D316-R431 IonicContact OD2-CZ 3.67Å; D316-R431 IonicContact OD2-NH1 3.66Å; D316-R431 PolarHBondContact OD2-NH1 3.39Å; D316-R431 IonicContact OD2-NH2 2.96Å
317	V	98.3	Very high	92.5	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.1	-178.2	51.2	0	0	0	0	110.5	W126 R342 L360 T363 L364	W126-V317 HydrophobicContact CH2-CG2 3.89Å; V317-R342 VanDerWaalsContact CA-O 3.28Å; V317-R342 WeakPolarHBondContact CA-O 3.25Å; V317-R342 HydrophobicContact CB-CG 3.73Å; V317-R342 HydrophobicContact CG2-CG 3.95Å; V317-L360 HydrophobicContact CG2-CD1 3.65Å; V317-L360 HydrophobicContact CG2-CD2 3.97Å; V317-L360 HydrophobicContact CG2-CG 3.79Å; V317-T363 HydrophobicContact CG1-CG2 4.28Å; V317-T363 PolarHBondContact N-OG1 3.06Å; V317-T363 PolarHBondContact O-N 3.33Å; V317-T363 PolarHBondContact O-OG1 3.18Å; V317-L364 PolarHBondContact O-N 3.37Å; V317-L364 VanDerWaalsContact O-N 3.09Å
318	S	98.2	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	145	172.2	-172.8	0	0	0	0	110.3	R342 V343 G344 L364 P366	S318-R342 PolarHBondContact N-O 3.2Å; S318-V343 CarbonylContact O-C 3.53Å; S318-V343 WeakPolarHBondContact O-CA 3.45Å; S318-G344 PolarHBondContact O-N 2.96Å; S318-L364 WeakPolarHBondContact CA-O 3.33Å; S318-P366 WeakPolarHBondContact OG-CD 3.32Å
319	I	97	Very high	92.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.2	169	-169.7	169.2	0	0	0	110.5	Y321 G344 L353 D356 I357 L360 P362 F365	I319-Y321 HydrophobicContact CG2-CD1 4.04Å; I319-Y321 HydrophobicContact CG2-CE1 4.2Å; I319-G344 CarbonylContact C-O 3.57Å; I319-G344 WeakPolarHBondContact CA-O 3.44Å; I319-L353 HydrophobicContact CD1-CD1 3.7Å; I319-D356 HydrophobicContact CD1-CB 4.02Å; I319-I357 HydrophobicContact CD1-CB 4.45Å; I319-I357 HydrophobicContact CD1-CG1 3.46Å; I319-I357 VanDerWaalsContact CD1-CG1 3.46Å; I319-L360 HydrophobicContact CB-CD2 3.71Å; I319-L360 HydrophobicContact CD1-CD2 4.44Å; I319-L360 HydrophobicContact CG1-CD2 3.96Å; I319-P362 HydrophobicContact CB-CB 4.44Å; I319-P362 HydrophobicContact CG2-CB 4.43Å; I319-P362 HydrophobicContact CG2-CG 4.45Å; I319-F365 HydrophobicContact CG2-CD2 3.54Å; I319-F365 HydrophobicContact CG2-CE2 3.77Å
320	S	96.5	Very high	92.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.2	178	167.5	0	0	0	0	111.1	N158 E329 Q333 G344 F345 F346	N158-S320 PolarHBondContact ND2-OG 2.98Å; S320-E329 VanDerWaalsContact CA-OE1 3.25Å; S320-E329 WeakPolarHBondContact CA-OE1 3.4Å; S320-E329 WeakPolarHBondContact CB-OE1 3.33Å; S320-Q333 VanDerWaalsContact CB-NE2 3.27Å; S320-Q333 PolarHBondContact OG-NE2 3.16Å; S320-G344 PolarHBondContact N-O 3.49Å; S320-F345 VanDerWaalsContact OG-CD1 3.26Å; S320-F345 WeakPolarHBondContact OG-CD1 3.42Å; S320-F345 WeakPolarHBondContact OG-CE1 3.38Å; S320-F346 VanDerWaalsContact O-CD1 3.23Å; S320-F346 WeakPolarHBondContact O-CD1 3.22Å; S320-F346 PolarHBondContact O-N 3.48Å
321	Y	91.5	Very high	93.1	Very high	17 Å²	17	29.1 Å²	29.1	7%	0.067	14%	0.141	C	C	.	.			trans	-151.4	-22.1	179.8	74.7	-78.6	0	0	0	113.1	I319 L353 F365 P366 V367 I371	I319-Y321 HydrophobicContact CG2-CD1 4.04Å; I319-Y321 HydrophobicContact CG2-CE1 4.2Å; Y321-L353 HydrophobicContact CD1-CD1 4.17Å; Y321-L353 HydrophobicContact CD2-CD1 4.22Å; Y321-L353 HydrophobicContact CD2-CD2 3.64Å; Y321-L353 HydrophobicContact CE2-CD2 3.91Å; Y321-L353 HydrophobicContact CG-CD1 3.75Å; Y321-L353 HydrophobicContact CG-CD2 4.03Å; Y321-F365 HydrophobicContact CE1-CD2 4.3Å; Y321-F365 AromaticContact CE1-CE2 3.64Å; Y321-F365 HydrophobicContact CE1-CE2 3.64Å; Y321-F365 HydrophobicContact CE1-CZ 4.46Å; Y321-P366 VanDerWaalsContact CE1-O 3.27Å; Y321-P366 WeakPolarHBondContact CE1-O 3.09Å; Y321-P366 PolarHBondContact OH-O 3.04Å; Y321-V367 WeakPolarHBondContact OH-CA 3.12Å; Y321-I371 HydrophobicContact CE2-CD1 3.45Å; Y321-I371 VanDerWaalsContact CE2-CD1 3.45Å; Y321-I371 WeakPolarHBondContact OH-CD1 2.98Å
322	L	89	Confident	93.2	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.073	12%	0.121	C	C	.	.	S	Bend	trans	-72.9	139.7	169.9	-60.7	175.1	0	0	0	108.3	N158 L324 F328 E329 P366 V368	N158-L322 PolarHBondContact ND2-O 2.98Å; L322-L324 PolarHBondContact O-N 2.96Å; L322-F328 HydrophobicContact CD1-CD1 3.8Å; L322-F328 HydrophobicContact CD1-CE1 3.75Å; L322-E329 HydrophobicContact CB-CB 4.02Å; L322-E329 HydrophobicContact CB-CG 4.42Å; L322-E329 WeakPolarHBondContact CB-OE2 3.46Å; L322-E329 WeakPolarHBondContact O-CB 3.41Å; L322-E329 WeakPolarHBondContact O-CG 3.36Å; L322-P366 HydrophobicContact CD1-CB 4.15Å; L322-V368 HydrophobicContact CD1-CG1 4.38Å; L322-V368 HydrophobicContact CD2-CG1 3.89Å; L322-V368 HydrophobicContact CD2-CG2 4.47Å
323	P	86.8	Confident	93.3	Very high	20 Å²	20	25.6 Å²	25.6	13%	0.13	12%	0.119	C	C	.	.			trans	-64.3	131.8	-166.2	-14.4	24.3	0	0	0	112.6	N158 Y180 A325 H326 P674	N158-P323 WeakPolarHBondContact OD1-CA 3.31Å; Y180-P323 HydrophobicContact CE2-CB 3.44Å; Y180-P323 VanDerWaalsContact CE2-CB 3.44Å; Y180-P323 HydrophobicContact CE2-CG 3.84Å; Y180-P323 WeakPolarHBondContact OH-CB 3.13Å; Y180-P323 WeakPolarHBondContact OH-CG 3.23Å; P323-A325 PolarHBondContact O-N 2.75Å; P323-A325 VanDerWaalsContact O-N 3.11Å; P323-H326 PolarHBondContact O-N 3.31Å; P323-P674 HydrophobicContact CG-CB 4.38Å
324	L	90.6	Very high	93.4	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.6	179.8	-80.7	172.3	0	0	0	114.3	N158 W162 I163 L322 H326 E329 R330 F345	N158-L324 HydrophobicContact CB-CD1 4.13Å; N158-L324 HydrophobicContact CB-CG 4.35Å; N158-L324 PolarHBondContact OD1-N 2.67Å; W162-L324 HydrophobicContact CB-CD1 4.01Å; W162-L324 HydrophobicContact CD2-CB 4.24Å; W162-L324 HydrophobicContact CD2-CD1 4.09Å; W162-L324 HydrophobicContact CG-CB 4.48Å; W162-L324 HydrophobicContact CG-CD1 3.55Å; W162-L324 HydrophobicContact CZ2-CB 4.18Å; I163-L324 HydrophobicContact CD1-CD1 3.77Å; I163-L324 HydrophobicContact CD1-CD2 3.95Å; I163-L324 HydrophobicContact CG1-CD1 4.36Å; L322-L324 PolarHBondContact O-N 2.96Å; L324-H326 PolarHBondContact O-N 3.11Å; L324-E329 HydrophobicContact CD2-CG 3.87Å; L324-E329 HydrophobicContact CG-CG 4.47Å; L324-R330 PolarHBondContact O-NE 3.33Å; L324-R330 PolarHBondContact O-NH2 3.34Å; L324-F345 HydrophobicContact CD1-CE1 4.1Å
325	A	85.7	Confident	93.4	Very high	14 Å²	14	15.8 Å²	15.8	12%	0.116	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.2	171	0	0	0	0	0	113.7	P178 Y180 P323	P178-A325 HydrophobicContact CB-CB 3.69Å; P178-A325 HydrophobicContact CG-CB 4.25Å; Y180-A325 HydrophobicContact CD2-CB 3.55Å; Y180-A325 HydrophobicContact CE2-CB 4.03Å; P323-A325 PolarHBondContact O-N 2.75Å; P323-A325 VanDerWaalsContact O-N 3.11Å
326	H	85	Confident	93.5	Very high	48 Å²	48	10.2 Å²	10.2	22%	0.222	5%	0.053	C	C	.	.	S	Bend	trans	-93.9	138	174.6	-69.2	-73	0	0	0	111.5	Y180 P323 L324 F328 P674 T675	Y180-H326 AromaticContact CE2-NE2 3.74Å; P323-H326 PolarHBondContact O-N 3.31Å; L324-H326 PolarHBondContact O-N 3.11Å; H326-F328 PolarHBondContact O-N 2.91Å; H326-F328 VanDerWaalsContact O-N 3.14Å; H326-P674 WeakPolarHBondContact NE2-CB 3.39Å; H326-T675 HydrophobicContact CB-CG2 4.37Å; H326-T675 VanDerWaalsContact CD2-CG2 3.44Å; H326-T675 WeakPolarHBondContact CD2-CG2 3.43Å; H326-T675 VanDerWaalsContact CG-CG2 3.49Å; H326-T675 WeakPolarHBondContact NE2-CG2 3.19Å
327	M	92	Very high	93.5	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.015	5%	0.053	C	C	.	.	H	α-helix	trans	-58.8	-28.3	178.2	-71.5	-56.8	-57.1	0	0	113.2	V274 C276 I290 I295 R330 M331 T463 T466	V274-M327 HydrophobicContact CG1-SD 3.87Å; C276-M327 VanDerWaalsContact SG-SD 3.67Å; I290-M327 HydrophobicContact CG2-CE 4.38Å; I295-M327 HydrophobicContact CD1-CE 4.33Å; I295-M327 HydrophobicContact CG1-CE 4.16Å; M327-R330 PolarHBondContact O-N 3.3Å; M327-M331 HydrophobicContact CE-CG 4.13Å; M327-M331 HydrophobicContact CE-SD 3.76Å; M327-M331 WeakPolarHBondContact O-CB 3.46Å; M327-M331 VanDerWaalsContact O-CG 3.25Å; M327-M331 WeakPolarHBondContact O-CG 3.48Å; M327-M331 PolarHBondContact O-N 3.1Å; M327-T463 HydrophobicContact CG-CG2 4.07Å; M327-T466 HydrophobicContact CE-CG2 3.8Å
328	F	90.4	Very high	93.4	Very high	29 Å²	29	9.9 Å²	9.9	13%	0.127	5%	0.051	C	C	.	.	H	α-helix	trans	-59.9	-54.8	-176.8	-179	-146.2	0	0	0	112.9	L322 H326 R330 I332 P366 L434 A436	L322-F328 HydrophobicContact CD1-CD1 3.8Å; L322-F328 HydrophobicContact CD1-CE1 3.75Å; H326-F328 PolarHBondContact O-N 2.91Å; H326-F328 VanDerWaalsContact O-N 3.14Å; F328-R330 VanDerWaalsContact C-N 3.29Å; F328-R330 PolarHBondContact O-N 3.13Å; F328-I332 HydrophobicContact CD2-CG1 4.46Å; F328-I332 HydrophobicContact CE2-CD1 4.43Å; F328-I332 HydrophobicContact CE2-CG1 4.24Å; F328-I332 WeakPolarHBondContact O-CG1 3.39Å; F328-I332 PolarHBondContact O-N 3.06Å; F328-P366 HydrophobicContact CZ-CB 4.46Å; F328-L434 HydrophobicContact CE2-CD2 3.74Å; F328-L434 HydrophobicContact CE2-CG 3.99Å; F328-L434 HydrophobicContact CZ-CD2 4.37Å; F328-L434 HydrophobicContact CZ-CG 4.15Å; F328-A436 HydrophobicContact CD1-CB 4.47Å; F328-A436 HydrophobicContact CD2-CB 4.33Å; F328-A436 HydrophobicContact CE1-CB 4.02Å; F328-A436 HydrophobicContact CE2-CB 3.88Å; F328-A436 HydrophobicContact CZ-CB 3.71Å
329	E	92.5	Very high	93.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-44.4	177	-179.8	66.6	-164.7	0	0	111	S320 L322 L324 M331 I332 Q333	S320-E329 VanDerWaalsContact CA-OE1 3.25Å; S320-E329 WeakPolarHBondContact CA-OE1 3.4Å; S320-E329 WeakPolarHBondContact CB-OE1 3.33Å; L322-E329 HydrophobicContact CB-CB 4.02Å; L322-E329 HydrophobicContact CB-CG 4.42Å; L322-E329 WeakPolarHBondContact CB-OE2 3.46Å; L322-E329 WeakPolarHBondContact O-CB 3.41Å; L322-E329 WeakPolarHBondContact O-CG 3.36Å; L324-E329 HydrophobicContact CD2-CG 3.87Å; L324-E329 HydrophobicContact CG-CG 4.47Å; E329-M331 PolarHBondContact O-N 3.25Å; E329-I332 PolarHBondContact O-N 3Å; E329-Q333 HydrophobicContact CG-CG 4.48Å; E329-Q333 PolarHBondContact O-N 3.4Å; E329-Q333 PolarHBondContact OE1-NE2 3.49Å
330	R	94.6	Very high	93.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.6	-45.5	-175.7	-165.9	179.8	-58.9	-141	-7.5	112.3	E166 L324 M327 F328 I332 Q333 L334	E166-R330 WeakPolarHBondContact OE1-CD 3.47Å; E166-R330 IonicContact OE1-CZ 3.68Å; E166-R330 IonicContact OE1-NE 2.71Å; E166-R330 PolarHBondContact OE1-NE 3.27Å; E166-R330 IonicContact OE1-NH1 2.62Å; E166-R330 PolarHBondContact OE1-NH1 2.85Å; E166-R330 IonicContact OE1-NH2 2.69Å; L324-R330 PolarHBondContact O-NE 3.33Å; L324-R330 PolarHBondContact O-NH2 3.34Å; M327-R330 PolarHBondContact O-N 3.3Å; F328-R330 VanDerWaalsContact C-N 3.29Å; F328-R330 PolarHBondContact O-N 3.13Å; R330-I332 PolarHBondContact O-N 3.43Å; R330-Q333 PolarHBondContact O-N 2.84Å; R330-L334 HydrophobicContact CG-CD1 4.02Å; R330-L334 HydrophobicContact CG-CG 4.27Å; R330-L334 WeakPolarHBondContact O-CB 3.36Å; R330-L334 VanDerWaalsContact O-CG 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.27Å; R330-L334 PolarHBondContact O-N 2.84Å
331	M	95.8	Very high	93.4	Very high	12 Å²	12	11.8 Å²	11.8	6%	0.059	6%	0.059	C	C	.	.	H	α-helix	trans	-60	-35.9	177.7	-71.7	-50.9	-59.2	0	0	112.1	I295 N298 T299 M327 E329 T335 T466	I295-M331 HydrophobicContact CB-SD 4.44Å; I295-M331 HydrophobicContact CG1-SD 4.25Å; I295-M331 HydrophobicContact CG2-CE 4.09Å; I295-M331 HydrophobicContact CG2-SD 3.92Å; N298-M331 HydrophobicContact CB-CE 3.71Å; T299-M331 VanDerWaalsContact OG1-CE 3.22Å; T299-M331 WeakPolarHBondContact OG1-CE 3.39Å; M327-M331 HydrophobicContact CE-CG 4.13Å; M327-M331 HydrophobicContact CE-SD 3.76Å; M327-M331 WeakPolarHBondContact O-CB 3.46Å; M327-M331 VanDerWaalsContact O-CG 3.25Å; M327-M331 WeakPolarHBondContact O-CG 3.48Å; M327-M331 PolarHBondContact O-N 3.1Å; E329-M331 PolarHBondContact O-N 3.25Å; M331-T335 WeakPolarHBondContact O-CB 3.15Å; M331-T335 PolarHBondContact O-N 3.24Å; M331-T335 VanDerWaalsContact O-N 3.12Å; M331-T335 PolarHBondContact O-OG1 2.65Å; M331-T466 WeakPolarHBondContact CG-O 3.49Å; M331-T466 HydrophobicContact SD-CG2 3.93Å
332	I	94.8	Very high	93.8	Very high	28 Å²	28	14.3 Å²	14.3	14%	0.144	7%	0.069	C	C	.	.	H	α-helix	trans	-68.4	-48.7	176	-57.8	-60.2	0	0	0	110.6	F328 E329 R330 L334 T335 M336 P366 L434	F328-I332 HydrophobicContact CD2-CG1 4.46Å; F328-I332 HydrophobicContact CE2-CD1 4.43Å; F328-I332 HydrophobicContact CE2-CG1 4.24Å; F328-I332 WeakPolarHBondContact O-CG1 3.39Å; F328-I332 PolarHBondContact O-N 3.06Å; E329-I332 PolarHBondContact O-N 3Å; R330-I332 PolarHBondContact O-N 3.43Å; I332-L334 PolarHBondContact O-N 3.23Å; I332-T335 PolarHBondContact O-N 3.2Å; I332-M336 HydrophobicContact CG2-CG 4.48Å; I332-M336 VanDerWaalsContact O-CG 3.27Å; I332-M336 WeakPolarHBondContact O-CG 3.46Å; I332-M336 PolarHBondContact O-N 2.68Å; I332-P366 HydrophobicContact CG1-CB 4.27Å; I332-P366 HydrophobicContact CG2-CB 4.45Å; I332-P366 HydrophobicContact CG2-CG 4.44Å; I332-L434 HydrophobicContact CD1-CD2 3.56Å
333	Q	97	Very high	94.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-44.9	179.1	-66.5	-170.4	17.1	0	0	112.5	S320 E329 R330 T335 M336 Y337 V343	S320-Q333 VanDerWaalsContact CB-NE2 3.27Å; S320-Q333 PolarHBondContact OG-NE2 3.16Å; E329-Q333 HydrophobicContact CG-CG 4.48Å; E329-Q333 PolarHBondContact O-N 3.4Å; E329-Q333 PolarHBondContact OE1-NE2 3.49Å; R330-Q333 PolarHBondContact O-N 2.84Å; Q333-T335 VanDerWaalsContact C-N 3.28Å; Q333-T335 PolarHBondContact O-N 2.95Å; Q333-M336 WeakPolarHBondContact O-CA 3.36Å; Q333-M336 WeakPolarHBondContact O-CB 3.49Å; Q333-M336 PolarHBondContact O-N 2.76Å; Q333-M336 VanDerWaalsContact O-N 3.08Å; Q333-Y337 HydrophobicContact CB-CD2 4.46Å; Q333-Y337 HydrophobicContact CB-CE2 3.75Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.49Å; Q333-Y337 PolarHBondContact O-N 2.92Å; Q333-Y337 PolarHBondContact OE1-OH 2.89Å; Q333-Y337 VanDerWaalsContact OE1-OH 3.09Å; Q333-V343 HydrophobicContact CB-CG2 4.35Å; Q333-V343 HydrophobicContact CG-CG1 4.1Å; Q333-V343 HydrophobicContact CG-CG2 4.03Å
334	L	96.5	Very high	94.8	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-36.8	177.6	-66.5	180	0	0	0	112.3	V98 M101 M167 Y170 I295 R330 I332 Y337 C338	V98-L334 HydrophobicContact CG1-CD1 3.75Å; V98-L334 HydrophobicContact CG1-CD2 3.46Å; V98-L334 VanDerWaalsContact CG1-CD2 3.46Å; V98-L334 HydrophobicContact CG1-CG 4.18Å; V98-L334 HydrophobicContact CG2-CD1 4.44Å; M101-L334 HydrophobicContact CE-CB 3.97Å; M167-L334 HydrophobicContact CE-CD2 3.94Å; Y170-L334 HydrophobicContact CE2-CD2 4.43Å; I295-L334 HydrophobicContact CD1-CD1 4.34Å; I295-L334 HydrophobicContact CG2-CD1 3.62Å; R330-L334 HydrophobicContact CG-CD1 4.02Å; R330-L334 HydrophobicContact CG-CG 4.27Å; R330-L334 WeakPolarHBondContact O-CB 3.36Å; R330-L334 VanDerWaalsContact O-CG 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.27Å; R330-L334 PolarHBondContact O-N 2.84Å; I332-L334 PolarHBondContact O-N 3.23Å; L334-Y337 HydrophobicContact CD2-CD2 4.13Å; L334-Y337 PolarHBondContact O-N 3.08Å; L334-C338 WeakPolarHBondContact O-CB 3.37Å; L334-C338 PolarHBondContact O-N 2.87Å
335	T	96	Very high	95.1	Very high	11 Å²	11	12.8 Å²	12.8	7%	0.067	6%	0.059	C	C	.	.	H	α-helix	trans	-67.2	-41	173.4	-54.8	0	0	0	0	111.3	T299 I312 M331 I332 Q333 C338 Y339	T299-T335 HydrophobicContact CG2-CG2 4.06Å; T299-T335 WeakPolarHBondContact CG2-OG1 3.41Å; T299-T335 PolarHBondContact OG1-OG1 3.15Å; I312-T335 HydrophobicContact CD1-CG2 3.7Å; M331-T335 WeakPolarHBondContact O-CB 3.15Å; M331-T335 PolarHBondContact O-N 3.24Å; M331-T335 VanDerWaalsContact O-N 3.12Å; M331-T335 PolarHBondContact O-OG1 2.65Å; I332-T335 PolarHBondContact O-N 3.2Å; Q333-T335 VanDerWaalsContact C-N 3.28Å; Q333-T335 PolarHBondContact O-N 2.95Å; T335-C338 WeakPolarHBondContact O-CB 3.35Å; T335-C338 PolarHBondContact O-N 2.76Å; T335-Y339 WeakPolarHBondContact O-CD2 3.22Å
336	M	97.6	Very high	95.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-60.4	-45.4	174	-68.8	-66.7	-74.9	0	0	111.4	I312 D316 I332 Q333 C338 Y339 G340 A341 V343 L364	I312-M336 HydrophobicContact CG2-SD 4.04Å; D316-M336 HydrophobicContact CB-CE 4.01Å; I332-M336 HydrophobicContact CG2-CG 4.48Å; I332-M336 VanDerWaalsContact O-CG 3.27Å; I332-M336 WeakPolarHBondContact O-CG 3.46Å; I332-M336 PolarHBondContact O-N 2.68Å; Q333-M336 WeakPolarHBondContact O-CA 3.36Å; Q333-M336 WeakPolarHBondContact O-CB 3.49Å; Q333-M336 PolarHBondContact O-N 2.76Å; Q333-M336 VanDerWaalsContact O-N 3.08Å; M336-C338 VanDerWaalsContact C-N 3.33Å; M336-C338 PolarHBondContact O-N 2.94Å; M336-Y339 PolarHBondContact O-N 2.67Å; M336-Y339 VanDerWaalsContact O-N 3.15Å; M336-G340 PolarHBondContact O-N 2.61Å; M336-A341 HydrophobicContact CB-CB 4.27Å; M336-A341 HydrophobicContact CE-CB 3.46Å; M336-A341 VanDerWaalsContact CE-CB 3.46Å; M336-A341 WeakPolarHBondContact O-CB 3.22Å; M336-A341 PolarHBondContact O-N 2.96Å; M336-A341 VanDerWaalsContact O-N 3.1Å; M336-A341 HydrophobicContact SD-CB 4.1Å; M336-V343 HydrophobicContact CB-CG2 4.25Å; M336-L364 HydrophobicContact CE-CD1 3.97Å; M336-L364 HydrophobicContact SD-CD1 3.9Å; M336-L364 HydrophobicContact SD-CD2 3.82Å; M336-L364 HydrophobicContact SD-CG 4.3Å
337	Y	97.4	Very high	95.8	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-61.9	-41.5	178.4	-57.5	-37.6	0	0	0	111.7	F102 G105 L115 Y129 I163 M167 Q333 L334 Y339 G340 V343	F102-Y337 HydrophobicContact CD2-CG 4.34Å; G105-Y337 WeakPolarHBondContact CA-O 3.45Å; L115-Y337 HydrophobicContact CD2-CE1 3.81Å; L115-Y337 WeakPolarHBondContact CD2-OH 3.27Å; Y129-Y337 WeakPolarHBondContact OH-CA 3.47Å; Y129-Y337 PolarHBondContact OH-O 3.37Å; I163-Y337 HydrophobicContact CG2-CE2 3.99Å; M167-Y337 HydrophobicContact CE-CD2 3.87Å; M167-Y337 HydrophobicContact CE-CE2 4.06Å; Q333-Y337 HydrophobicContact CB-CD2 4.46Å; Q333-Y337 HydrophobicContact CB-CE2 3.75Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.49Å; Q333-Y337 PolarHBondContact O-N 2.92Å; Q333-Y337 PolarHBondContact OE1-OH 2.89Å; Q333-Y337 VanDerWaalsContact OE1-OH 3.09Å; L334-Y337 HydrophobicContact CD2-CD2 4.13Å; L334-Y337 PolarHBondContact O-N 3.08Å; Y337-Y339 PolarHBondContact O-N 3.45Å; Y337-G340 PolarHBondContact O-N 3.33Å; Y337-V343 HydrophobicContact CD1-CG2 4.5Å; Y337-V343 HydrophobicContact CE1-CB 4.23Å; Y337-V343 HydrophobicContact CE1-CG2 3.63Å
338	C	96.8	Very high	95.5	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	8%	0.077	C	C	.	.	H	α-helix	trans	-55.9	-25.9	176.7	-169.3	0	0	0	0	114.2	M101 L334 T335 M336	M101-C338 HydrophobicContact CB-CB 4.25Å; M101-C338 HydrophobicContact CE-CB 4.23Å; M101-C338 WeakPolarHBondContact O-CA 3.35Å; L334-C338 WeakPolarHBondContact O-CB 3.37Å; L334-C338 PolarHBondContact O-N 2.87Å; T335-C338 WeakPolarHBondContact O-CB 3.35Å; T335-C338 PolarHBondContact O-N 2.76Å; M336-C338 VanDerWaalsContact C-N 3.33Å; M336-C338 PolarHBondContact O-N 2.94Å
339	Y	96.7	Very high	95.1	Very high	38 Å²	38	16.8 Å²	16.8	15%	0.149	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.3	179.2	-81.5	-92.1	0	0	0	114.5	Y92 I303 I312 T335 M336 Y337 A341	Y92-Y339 PolarHBondContact OH-OH 2.72Å; I303-Y339 HydrophobicContact CD1-CE2 3.73Å; I303-Y339 HydrophobicContact CG1-CE2 3.81Å; I303-Y339 WeakPolarHBondContact CG2-OH 3.28Å; I312-Y339 HydrophobicContact CB-CD1 4.13Å; I312-Y339 HydrophobicContact CB-CD2 4.23Å; I312-Y339 HydrophobicContact CB-CG 3.89Å; I312-Y339 HydrophobicContact CD1-CD2 4.13Å; I312-Y339 HydrophobicContact CD1-CE2 4.4Å; I312-Y339 HydrophobicContact CG2-CD2 4.46Å; I312-Y339 HydrophobicContact CG2-CG 4.01Å; I312-Y339 WeakPolarHBondContact O-CD1 3.37Å; T335-Y339 WeakPolarHBondContact O-CD2 3.22Å; M336-Y339 PolarHBondContact O-N 2.67Å; M336-Y339 VanDerWaalsContact O-N 3.15Å; Y337-Y339 PolarHBondContact O-N 3.45Å; Y339-A341 PolarHBondContact O-N 2.73Å
340	G	97.6	Very high	94.5	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	16.9	-177.2	0	0	0	0	0	113.4	G105 Y129 M336 Y337	G105-G340 WeakPolarHBondContact O-CA 3.5Å; Y129-G340 VanDerWaalsContact OH-C 3.24Å; Y129-G340 VanDerWaalsContact OH-CA 3.29Å; Y129-G340 WeakPolarHBondContact OH-CA 3.48Å; M336-G340 PolarHBondContact O-N 2.61Å; Y337-G340 PolarHBondContact O-N 3.33Å
341	A	98.3	Very high	93.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.			trans	-80.8	179.9	177.7	0	0	0	0	0	110.9	Y129 I312 R313 D316 M336 Y339	Y129-A341 PolarHBondContact OH-N 3.32Å; Y129-A341 PolarHBondContact OH-O 3.44Å; I312-A341 HydrophobicContact CG2-CB 4.17Å; R313-A341 WeakPolarHBondContact O-CB 3.23Å; D316-A341 HydrophobicContact CB-CB 4.32Å; M336-A341 HydrophobicContact CB-CB 4.27Å; M336-A341 HydrophobicContact CE-CB 3.46Å; M336-A341 VanDerWaalsContact CE-CB 3.46Å; M336-A341 WeakPolarHBondContact O-CB 3.22Å; M336-A341 PolarHBondContact O-N 2.96Å; M336-A341 VanDerWaalsContact O-N 3.1Å; M336-A341 HydrophobicContact SD-CB 4.1Å; Y339-A341 PolarHBondContact O-N 2.73Å
342	R	98	Very high	93.6	Very high	71 Å²	71	28.3 Å²	28.3	27%	0.268	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155.6	-173.2	69.2	-168.4	161.7	178.3	-8.6	114	P113 C114 W126 D316 V317 S318	P113-R342 VanDerWaalsContact O-CB 3.27Å; P113-R342 WeakPolarHBondContact O-CB 3.13Å; C114-R342 WeakPolarHBondContact O-CA 3.41Å; W126-R342 HydrophobicContact CE3-CB 4.17Å; W126-R342 HydrophobicContact CE3-CG 4.38Å; W126-R342 HydrophobicContact CH2-CB 4.2Å; W126-R342 HydrophobicContact CH2-CG 3.67Å; W126-R342 HydrophobicContact CZ3-CB 3.58Å; W126-R342 HydrophobicContact CZ3-CG 3.6Å; D316-R342 WeakPolarHBondContact O-CG 3.3Å; D316-R342 PolarHBondContact O-N 2.82Å; V317-R342 VanDerWaalsContact CA-O 3.28Å; V317-R342 WeakPolarHBondContact CA-O 3.25Å; V317-R342 HydrophobicContact CB-CG 3.73Å; V317-R342 HydrophobicContact CG2-CG 3.95Å; S318-R342 PolarHBondContact N-O 3.2Å
343	V	98.7	Very high	93.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.9	-179.3	178.8	0	0	0	0	109.6	C114 G116 S318 Q333 M336 Y337 F345	C114-V343 PolarHBondContact O-N 2.91Å; G116-V343 PolarHBondContact N-O 2.84Å; S318-V343 CarbonylContact O-C 3.53Å; S318-V343 WeakPolarHBondContact O-CA 3.45Å; Q333-V343 HydrophobicContact CB-CG2 4.35Å; Q333-V343 HydrophobicContact CG-CG1 4.1Å; Q333-V343 HydrophobicContact CG-CG2 4.03Å; M336-V343 HydrophobicContact CB-CG2 4.25Å; Y337-V343 HydrophobicContact CD1-CG2 4.5Å; Y337-V343 HydrophobicContact CE1-CB 4.23Å; Y337-V343 HydrophobicContact CE1-CG2 3.63Å; V343-F345 HydrophobicContact CG1-CE2 4.07Å; V343-F345 HydrophobicContact CG1-CZ 4.3Å
344	G	98.3	Very high	92.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124	174	0	0	0	0	0	111.3	G116 S318 I319 S320	G116-G344 CarbonylContact O-C 3.5Å; G116-G344 WeakPolarHBondContact O-CA 3.28Å; S318-G344 PolarHBondContact O-N 2.96Å; I319-G344 CarbonylContact C-O 3.57Å; I319-G344 WeakPolarHBondContact CA-O 3.44Å; S320-G344 PolarHBondContact N-O 3.49Å
345	F	97.6	Very high	92.7	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	138	178.8	-71.3	-95.2	0	0	0	111.3	L115 G116 Y124 N158 R159 P160 I163 S320 L324 V343	L115-F345 HydrophobicContact CB-CE2 4.35Å; L115-F345 HydrophobicContact CD2-CE2 4.1Å; G116-F345 VanDerWaalsContact O-CD2 3.32Å; G116-F345 WeakPolarHBondContact O-CD2 3.28Å; G116-F345 PolarHBondContact O-N 3.17Å; Y124-F345 WeakPolarHBondContact CE1-O 3.46Å; Y124-F345 PolarHBondContact OH-O 3.17Å; N158-F345 HydrophobicContact CB-CD1 3.78Å; N158-F345 HydrophobicContact CB-CE1 3.97Å; R159-F345 VanDerWaalsContact N-CD1 3.3Å; R159-F345 WeakPolarHBondContact O-CE1 3.5Å; P160-F345 HydrophobicContact CG-CD2 3.91Å; P160-F345 HydrophobicContact CG-CE2 4.31Å; P160-F345 HydrophobicContact CG-CG 4.43Å; I163-F345 HydrophobicContact CD1-CZ 4.49Å; I163-F345 HydrophobicContact CG1-CE1 4.41Å; I163-F345 HydrophobicContact CG1-CE2 4.49Å; I163-F345 HydrophobicContact CG1-CZ 3.62Å; S320-F345 VanDerWaalsContact OG-CD1 3.26Å; S320-F345 WeakPolarHBondContact OG-CD1 3.42Å; S320-F345 WeakPolarHBondContact OG-CE1 3.38Å; L324-F345 HydrophobicContact CD1-CE1 4.1Å; V343-F345 HydrophobicContact CG1-CE2 4.07Å; V343-F345 HydrophobicContact CG1-CZ 4.3Å
346	F	94.4	Very high	92.6	Very high	21 Å²	21	33.3 Å²	33.3	9%	0.092	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-66.5	165	168.7	83.3	-39.9	0	0	0	111.3	N158 S320 G348 V350 L353 D356	N158-F346 HydrophobicContact CB-CE1 4.05Å; S320-F346 VanDerWaalsContact O-CD1 3.23Å; S320-F346 WeakPolarHBondContact O-CD1 3.22Å; S320-F346 PolarHBondContact O-N 3.48Å; F346-G348 VanDerWaalsContact CZ-CA 3.46Å; F346-G348 PolarHBondContact O-N 3.4Å; F346-V350 HydrophobicContact CE2-CG2 4.11Å; F346-L353 HydrophobicContact CB-CD1 4.15Å; F346-D356 WeakPolarHBondContact CA-OD2 3.16Å; F346-D356 WeakPolarHBondContact CB-OD2 3.29Å
347	Q	91.9	Very high	92.5	Very high	42 Å²	42	33.3 Å²	33.3	20%	0.196	19%	0.187	C	C	.	.			trans	-73.5	5.5	-176.3	-70.4	174.1	-139.1	0	0	115	R118 D349 D356	R118-Q347 HydrophobicContact CG-CG 3.86Å; Q347-D349 VanDerWaalsContact C-N 3.33Å; Q347-D356 VanDerWaalsContact CG-OD1 3.3Å; Q347-D356 WeakPolarHBondContact CG-OD1 2.98Å; Q347-D356 PolarHBondContact N-OD2 3.49Å; Q347-D356 PolarHBondContact OE1-OD1 3.27Å
348	G	85.1	Confident	92.3	Very high	43 Å²	43	38.8 Å²	38.8	44%	0.443	21%	0.211	S	C	.	.	S	Bend	trans	88.6	-8.2	-177.4	0	0	0	0	0	114.7	F346	F346-G348 VanDerWaalsContact CZ-CA 3.46Å; F346-G348 PolarHBondContact O-N 3.4Å
349	D	82.8	Confident	92.2	Very high	73 Å²	73	41.3 Å²	41.3	39%	0.39	23%	0.226	S	C	.	.			trans	-116.4	117.9	175.4	-175.9	-1.1	0	0	0	110.8	Q347 S351 L352 L353	Q347-D349 VanDerWaalsContact C-N 3.33Å; D349-S351 PolarHBondContact O-N 3.07Å; D349-S351 VanDerWaalsContact OD1-CB 3.28Å; D349-S351 WeakPolarHBondContact OD1-CB 3.44Å; D349-S351 PolarHBondContact OD1-N 3.48Å; D349-S351 PolarHBondContact OD1-OG 3.07Å; D349-S351 PolarHBondContact OD2-OG 3.33Å; D349-L352 HydrophobicContact CB-CD1 4.28Å; D349-L352 HydrophobicContact CB-CG 4.29Å; D349-L352 PolarHBondContact O-N 2.92Å; D349-L352 VanDerWaalsContact O-N 3.07Å; D349-L353 PolarHBondContact O-N 2.9Å
350	V	79.8	Confident	92.3	Very high	95 Å²	95	40.3 Å²	40.3	58%	0.576	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-63.3	-25	178.7	-178.9	0	0	0	0	111.8	F346 L352 L353	F346-V350 HydrophobicContact CE2-CG2 4.11Å; V350-L352 PolarHBondContact O-N 2.73Å; V350-L353 VanDerWaalsContact O-CB 3.24Å; V350-L353 WeakPolarHBondContact O-CB 3.46Å; V350-L353 PolarHBondContact O-N 3.28Å
351	S	81	Confident	92.2	Very high	91 Å²	91	45.2 Å²	45.2	64%	0.636	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-63.1	-29.9	175.2	87.7	0	0	0	0	112.3	D349	D349-S351 PolarHBondContact O-N 3.07Å; D349-S351 VanDerWaalsContact OD1-CB 3.28Å; D349-S351 WeakPolarHBondContact OD1-CB 3.44Å; D349-S351 PolarHBondContact OD1-N 3.48Å; D349-S351 PolarHBondContact OD1-OG 3.07Å; D349-S351 PolarHBondContact OD2-OG 3.33Å
352	L	88.8	Confident	92.2	Very high	67 Å²	67	45.3 Å²	45.3	35%	0.351	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-93.6	-2.3	179.7	-59.3	179.5	0	0	0	113.3	D349 V350 M354 D355 D356	D349-L352 HydrophobicContact CB-CD1 4.28Å; D349-L352 HydrophobicContact CB-CG 4.29Å; D349-L352 PolarHBondContact O-N 2.92Å; D349-L352 VanDerWaalsContact O-N 3.07Å; V350-L352 PolarHBondContact O-N 2.73Å; L352-M354 PolarHBondContact O-N 3.17Å; L352-M354 VanDerWaalsContact O-N 3.07Å; L352-D355 WeakPolarHBondContact O-CA 3.36Å; L352-D355 VanDerWaalsContact O-CB 3.29Å; L352-D355 WeakPolarHBondContact O-CB 2.84Å; L352-D355 PolarHBondContact O-N 3.42Å; L352-D356 PolarHBondContact O-N 3.02Å; L352-D356 VanDerWaalsContact O-N 3.13Å
353	L	88.8	Confident	92.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-54.9	-35.7	-174.5	-179.4	62.2	0	0	0	113.4	I319 Y321 F346 D349 V350 D355 D356 I357	I319-L353 HydrophobicContact CD1-CD1 3.7Å; Y321-L353 HydrophobicContact CD1-CD1 4.17Å; Y321-L353 HydrophobicContact CD2-CD1 4.22Å; Y321-L353 HydrophobicContact CD2-CD2 3.64Å; Y321-L353 HydrophobicContact CE2-CD2 3.91Å; Y321-L353 HydrophobicContact CG-CD1 3.75Å; Y321-L353 HydrophobicContact CG-CD2 4.03Å; F346-L353 HydrophobicContact CB-CD1 4.15Å; D349-L353 PolarHBondContact O-N 2.9Å; V350-L353 VanDerWaalsContact O-CB 3.24Å; V350-L353 WeakPolarHBondContact O-CB 3.46Å; V350-L353 PolarHBondContact O-N 3.28Å; L353-D355 VanDerWaalsContact C-N 3.32Å; L353-D356 PolarHBondContact O-N 3.37Å; L353-I357 HydrophobicContact CD1-CD1 4.31Å; L353-I357 HydrophobicContact CD1-CG1 4.38Å; L353-I357 HydrophobicContact CG-CD1 3.95Å; L353-I357 HydrophobicContact CG-CG1 4.44Å; L353-I357 VanDerWaalsContact O-CG1 3.25Å; L353-I357 WeakPolarHBondContact O-CG1 3.26Å; L353-I357 PolarHBondContact O-N 3.18Å
354	M	88.3	Confident	92.1	Very high	73 Å²	73	43.2 Å²	43.2	36%	0.36	24%	0.239	S	C	.	.	H	α-helix	trans	-71.5	-27.6	178.4	-66.6	-66.6	133.4	0	0	112.9	L352 I357 K358	L352-M354 PolarHBondContact O-N 3.17Å; L352-M354 VanDerWaalsContact O-N 3.07Å; M354-I357 HydrophobicContact CE-CD1 3.83Å; M354-I357 HydrophobicContact SD-CD1 4.26Å; M354-K358 WeakPolarHBondContact O-CD 3.01Å; M354-K358 VanDerWaalsContact O-CG 3.23Å; M354-K358 WeakPolarHBondContact O-CG 3.44Å; M354-K358 PolarHBondContact O-N 3.24Å
355	D	92.3	Very high	92	Very high	72 Å²	72	43.3 Å²	43.3	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-68	-48.5	169.7	-172.8	71.7	0	0	0	109.7	R118 L352 L353 I357 K358 T359	R118-D355 IonicContact CZ-OD2 2.96Å; R118-D355 IonicContact NH1-OD2 3.42Å; R118-D355 PolarHBondContact NH1-OD2 2.84Å; R118-D355 IonicContact NH2-OD2 2.92Å; R118-D355 PolarHBondContact NH2-OD2 2.77Å; L352-D355 WeakPolarHBondContact O-CA 3.36Å; L352-D355 VanDerWaalsContact O-CB 3.29Å; L352-D355 WeakPolarHBondContact O-CB 2.84Å; L352-D355 PolarHBondContact O-N 3.42Å; L353-D355 VanDerWaalsContact C-N 3.32Å; D355-I357 VanDerWaalsContact C-N 3.35Å; D355-I357 PolarHBondContact O-N 3.03Å; D355-K358 WeakPolarHBondContact O-CB 3.37Å; D355-K358 PolarHBondContact O-N 2.94Å; D355-T359 PolarHBondContact O-N 3.48Å; D355-T359 PolarHBondContact O-OG1 2.92Å
356	D	94.9	Very high	91.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-46.2	177.2	-71.1	-32.1	0	0	0	112.7	R118 I319 F346 Q347 L352 L353 K358 T359 L360	R118-D356 WeakPolarHBondContact CD-OD1 3.39Å; R118-D356 IonicContact CZ-OD1 3.21Å; R118-D356 IonicContact NE-OD1 2.96Å; R118-D356 IonicContact NH1-OD1 2.79Å; R118-D356 PolarHBondContact NH1-OD1 3.09Å; I319-D356 HydrophobicContact CD1-CB 4.02Å; F346-D356 WeakPolarHBondContact CA-OD2 3.16Å; F346-D356 WeakPolarHBondContact CB-OD2 3.29Å; Q347-D356 VanDerWaalsContact CG-OD1 3.3Å; Q347-D356 WeakPolarHBondContact CG-OD1 2.98Å; Q347-D356 PolarHBondContact N-OD2 3.49Å; Q347-D356 PolarHBondContact OE1-OD1 3.27Å; L352-D356 PolarHBondContact O-N 3.02Å; L352-D356 VanDerWaalsContact O-N 3.13Å; L353-D356 PolarHBondContact O-N 3.37Å; D356-K358 VanDerWaalsContact C-N 3.32Å; D356-K358 PolarHBondContact O-N 3.42Å; D356-T359 PolarHBondContact O-N 3.16Å; D356-L360 WeakPolarHBondContact O-CB 3.43Å; D356-L360 PolarHBondContact O-N 3.46Å
357	I	94.1	Very high	91.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-41.8	176.7	-70.6	168.5	0	0	0	111.3	I319 L353 M354 D355 K361 P362 F365 L426	I319-I357 HydrophobicContact CD1-CB 4.45Å; I319-I357 HydrophobicContact CD1-CG1 3.46Å; I319-I357 VanDerWaalsContact CD1-CG1 3.46Å; L353-I357 HydrophobicContact CD1-CD1 4.31Å; L353-I357 HydrophobicContact CD1-CG1 4.38Å; L353-I357 HydrophobicContact CG-CD1 3.95Å; L353-I357 HydrophobicContact CG-CG1 4.44Å; L353-I357 VanDerWaalsContact O-CG1 3.25Å; L353-I357 WeakPolarHBondContact O-CG1 3.26Å; L353-I357 PolarHBondContact O-N 3.18Å; M354-I357 HydrophobicContact CE-CD1 3.83Å; M354-I357 HydrophobicContact SD-CD1 4.26Å; D355-I357 VanDerWaalsContact C-N 3.35Å; D355-I357 PolarHBondContact O-N 3.03Å; I357-K361 WeakPolarHBondContact O-CA 3.21Å; I357-K361 PolarHBondContact O-N 3.29Å; I357-P362 HydrophobicContact CG2-CG 4.07Å; I357-P362 WeakPolarHBondContact O-CD 3.36Å; I357-F365 HydrophobicContact CD1-CE2 4.01Å; I357-F365 HydrophobicContact CD1-CZ 4.04Å; I357-L426 HydrophobicContact CD1-CD2 4.28Å; I357-L426 VanDerWaalsContact CG2-C 3.45Å; I357-L426 HydrophobicContact CG2-CB 4.31Å; I357-L426 HydrophobicContact CG2-CD2 4.18Å
358	K	93.6	Very high	91.1	Very high	116 Å²	116	40.6 Å²	40.6	50%	0.504	23%	0.228	S	C	.	.	H	α-helix	trans	-69.2	-35.7	179.7	-75.7	172.2	-177.2	175.9	0	112.5	M354 D355 D356 K361	M354-K358 WeakPolarHBondContact O-CD 3.01Å; M354-K358 VanDerWaalsContact O-CG 3.23Å; M354-K358 WeakPolarHBondContact O-CG 3.44Å; M354-K358 PolarHBondContact O-N 3.24Å; D355-K358 WeakPolarHBondContact O-CB 3.37Å; D355-K358 PolarHBondContact O-N 2.94Å; D356-K358 VanDerWaalsContact C-N 3.32Å; D356-K358 PolarHBondContact O-N 3.42Å; K358-K361 VanDerWaalsContact O-CG 3.28Å; K358-K361 WeakPolarHBondContact O-CG 3.47Å
359	T	96	Very high	90.8	Very high	56 Å²	56	38.7 Å²	38.7	34%	0.344	21%	0.208	S	C	.	.	H	α-helix	trans	-76.2	-46.3	178	-58.3	0	0	0	0	111.4	R118 Y124 D355 D356	R118-T359 PolarHBondContact NH1-OG1 3.07Å; R118-T359 PolarHBondContact NH2-OG1 3.32Å; Y124-T359 HydrophobicContact CD2-CG2 4.21Å; Y124-T359 HydrophobicContact CE2-CG2 4.45Å; D355-T359 PolarHBondContact O-N 3.48Å; D355-T359 PolarHBondContact O-OG1 2.92Å; D356-T359 PolarHBondContact O-N 3.16Å
360	L	97.3	Very high	90.2	Very high	17 Å²	17	38.7 Å²	38.7	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-69.6	-36.1	-179	-170.7	61.3	0	0	0	112.5	Y124 W126 V317 I319 D356	Y124-L360 HydrophobicContact CD1-CD1 4.01Å; Y124-L360 HydrophobicContact CD2-CB 4.12Å; Y124-L360 HydrophobicContact CD2-CD1 3.68Å; Y124-L360 HydrophobicContact CD2-CG 4.49Å; Y124-L360 HydrophobicContact CE1-CD1 3.99Å; Y124-L360 HydrophobicContact CE2-CB 3.49Å; Y124-L360 VanDerWaalsContact CE2-CB 3.49Å; Y124-L360 HydrophobicContact CE2-CD1 3.64Å; Y124-L360 HydrophobicContact CE2-CG 4.05Å; Y124-L360 HydrophobicContact CG-CD1 3.87Å; W126-L360 HydrophobicContact CH2-CD1 3.91Å; W126-L360 HydrophobicContact CZ2-CD1 3.91Å; V317-L360 HydrophobicContact CG2-CD1 3.65Å; V317-L360 HydrophobicContact CG2-CD2 3.97Å; V317-L360 HydrophobicContact CG2-CG 3.79Å; I319-L360 HydrophobicContact CB-CD2 3.71Å; I319-L360 HydrophobicContact CD1-CD2 4.44Å; I319-L360 HydrophobicContact CG1-CD2 3.96Å; D356-L360 WeakPolarHBondContact O-CB 3.43Å; D356-L360 PolarHBondContact O-N 3.46Å
361	K	96.9	Very high	90.1	Very high	105 Å²	105	35.2 Å²	35.2	46%	0.457	18%	0.18	S	C	.	.			trans	52.5	63.7	-172.5	-56.3	-178.2	-179.4	173.9	0	112.2	I357 K358 G427 N429	I357-K361 WeakPolarHBondContact O-CA 3.21Å; I357-K361 PolarHBondContact O-N 3.29Å; K358-K361 VanDerWaalsContact O-CG 3.28Å; K358-K361 WeakPolarHBondContact O-CG 3.47Å; K361-G427 WeakPolarHBondContact CG-O 3.49Å; K361-N429 HydrophobicContact CB-CB 4.38Å
362	P	97.4	Very high	90.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	15%	0.152	C	C	.	.			trans	-59.8	144.9	-173.8	26.5	-34.5	0	0	0	112	I319 I357 N429 L430	I319-P362 HydrophobicContact CB-CB 4.44Å; I319-P362 HydrophobicContact CG2-CB 4.43Å; I319-P362 HydrophobicContact CG2-CG 4.45Å; I357-P362 HydrophobicContact CG2-CG 4.07Å; I357-P362 WeakPolarHBondContact O-CD 3.36Å; P362-N429 CarbonylContact O-C 3.37Å; P362-L430 PolarHBondContact O-N 3.35Å
363	T	97.8	Very high	89.5	Confident	16 Å²	16	29.3 Å²	29.3	10%	0.098	14%	0.142	C	C	.	.	S	Bend	trans	-99.1	-24.7	171.2	62.5	0	0	0	0	112	D316 V317 N429 R431 F432	D316-T363 WeakPolarHBondContact CA-OG1 3.37Å; D316-T363 WeakPolarHBondContact CB-OG1 3.44Å; D316-T363 WeakPolarHBondContact OD1-CB 3.24Å; D316-T363 PolarHBondContact OD1-OG1 3.48Å; V317-T363 HydrophobicContact CG1-CG2 4.28Å; V317-T363 PolarHBondContact N-OG1 3.06Å; V317-T363 PolarHBondContact O-N 3.33Å; V317-T363 PolarHBondContact O-OG1 3.18Å; T363-N429 HydrophobicContact CG2-CB 4.19Å; T363-R431 PolarHBondContact O-N 2.65Å; T363-F432 PolarHBondContact O-N 3.03Å; T363-F432 VanDerWaalsContact O-N 3.1Å
364	L	97.1	Very high	88.8	Confident	11 Å²	11	37.2 Å²	37.2	6%	0.058	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.7	168.3	-74.1	93.1	0	0	0	110.4	D316 V317 S318 M336 F432	D316-L364 HydrophobicContact CB-CD1 3.47Å; D316-L364 VanDerWaalsContact CB-CD1 3.47Å; V317-L364 PolarHBondContact O-N 3.37Å; V317-L364 VanDerWaalsContact O-N 3.09Å; S318-L364 WeakPolarHBondContact CA-O 3.33Å; M336-L364 HydrophobicContact CE-CD1 3.97Å; M336-L364 HydrophobicContact SD-CD1 3.9Å; M336-L364 HydrophobicContact SD-CD2 3.82Å; M336-L364 HydrophobicContact SD-CG 4.3Å; L364-F432 CarbonylContact C-O 3.56Å; L364-F432 VanDerWaalsContact CA-O 3.29Å; L364-F432 WeakPolarHBondContact CA-O 3.39Å; L364-F432 HydrophobicContact CD2-CB 4.45Å; L364-F432 HydrophobicContact CD2-CD1 4.36Å; L364-F432 HydrophobicContact CG-CB 4.21Å
365	F	95.4	Very high	88.5	Confident	3 Å²	3	34.5 Å²	34.5	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	99.5	-179	-171.9	-139.3	0	0	0	111.9	I319 Y321 I357 V367 I371 L426 L430 F432 A433 L434	I319-F365 HydrophobicContact CG2-CD2 3.54Å; I319-F365 HydrophobicContact CG2-CE2 3.77Å; Y321-F365 HydrophobicContact CE1-CD2 4.3Å; Y321-F365 AromaticContact CE1-CE2 3.64Å; Y321-F365 HydrophobicContact CE1-CE2 3.64Å; Y321-F365 HydrophobicContact CE1-CZ 4.46Å; I357-F365 HydrophobicContact CD1-CE2 4.01Å; I357-F365 HydrophobicContact CD1-CZ 4.04Å; F365-V367 HydrophobicContact CD1-CB 3.85Å; F365-V367 HydrophobicContact CD1-CG1 4.29Å; F365-V367 HydrophobicContact CD1-CG2 4.15Å; F365-V367 HydrophobicContact CE1-CB 3.73Å; F365-V367 HydrophobicContact CE1-CG1 4.48Å; F365-V367 HydrophobicContact CE1-CG2 3.52Å; F365-V367 HydrophobicContact CG-CB 4.39Å; F365-V367 HydrophobicContact CZ-CB 4.17Å; F365-V367 HydrophobicContact CZ-CG2 3.88Å; F365-V367 PolarHBondContact O-N 3.45Å; F365-I371 HydrophobicContact CZ-CG2 4.36Å; F365-L426 HydrophobicContact CD1-CD1 4.27Å; F365-L426 HydrophobicContact CE1-CD1 4.2Å; F365-L426 HydrophobicContact CE1-CD2 4.24Å; F365-L430 HydrophobicContact CB-CD1 3.49Å; F365-L430 VanDerWaalsContact CB-CD1 3.49Å; F365-L430 HydrophobicContact CB-CD2 4.49Å; F365-F432 PolarHBondContact N-O 3.48Å; F365-A433 HydrophobicContact CB-CB 4.39Å; F365-A433 VanDerWaalsContact O-CA 3.31Å; F365-A433 WeakPolarHBondContact O-CA 3.43Å; F365-L434 PolarHBondContact O-N 2.77Å
366	P	93.4	Very high	88.1	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.013	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.3	166.3	29.5	-32.6	0	0	0	108.9	S318 Y321 L322 F328 I332	S318-P366 WeakPolarHBondContact OG-CD 3.32Å; Y321-P366 VanDerWaalsContact CE1-O 3.27Å; Y321-P366 WeakPolarHBondContact CE1-O 3.09Å; Y321-P366 PolarHBondContact OH-O 3.04Å; L322-P366 HydrophobicContact CD1-CB 4.15Å; F328-P366 HydrophobicContact CZ-CB 4.46Å; I332-P366 HydrophobicContact CG1-CB 4.27Å; I332-P366 HydrophobicContact CG2-CB 4.45Å; I332-P366 HydrophobicContact CG2-CG 4.44Å
367	V	88.9	Confident	87.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.7	-169.9	68	0	0	0	0	113.3	Y321 F365 I371 L372 A433 L434 T435	Y321-V367 WeakPolarHBondContact OH-CA 3.12Å; F365-V367 HydrophobicContact CD1-CB 3.85Å; F365-V367 HydrophobicContact CD1-CG1 4.29Å; F365-V367 HydrophobicContact CD1-CG2 4.15Å; F365-V367 HydrophobicContact CE1-CB 3.73Å; F365-V367 HydrophobicContact CE1-CG1 4.48Å; F365-V367 HydrophobicContact CE1-CG2 3.52Å; F365-V367 HydrophobicContact CG-CB 4.39Å; F365-V367 HydrophobicContact CZ-CB 4.17Å; F365-V367 HydrophobicContact CZ-CG2 3.88Å; F365-V367 PolarHBondContact O-N 3.45Å; V367-I371 HydrophobicContact CG2-CB 3.77Å; V367-I371 HydrophobicContact CG2-CG2 3.81Å; V367-L372 HydrophobicContact CB-CD2 4.38Å; V367-L372 HydrophobicContact CG1-CD1 3.87Å; V367-L372 HydrophobicContact CG1-CD2 3.78Å; V367-L372 HydrophobicContact CG1-CG 3.87Å; V367-L372 HydrophobicContact CG2-CD2 3.73Å; V367-L372 HydrophobicContact CG2-CG 3.83Å; V367-A433 HydrophobicContact CG1-CB 4.49Å; V367-L434 PolarHBondContact N-O 3.4Å; V367-T435 WeakPolarHBondContact O-CA 3.18Å; V367-T435 WeakPolarHBondContact O-CB 3.3Å; V367-T435 PolarHBondContact O-OG1 3.45Å
368	V	82.4	Confident	86.6	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.036	20%	0.196	C	C	.	.			trans	-92.2	149.2	173.8	-65.6	0	0	0	0	110.9	L322 R370 I371 L372 L676	L322-V368 HydrophobicContact CD1-CG1 4.38Å; L322-V368 HydrophobicContact CD2-CG1 3.89Å; L322-V368 HydrophobicContact CD2-CG2 4.47Å; V368-R370 HydrophobicContact CG2-CB 4.42Å; V368-R370 PolarHBondContact O-N 2.98Å; V368-I371 HydrophobicContact CG2-CD1 3.95Å; V368-I371 HydrophobicContact CG2-CG1 4Å; V368-I371 PolarHBondContact O-N 3.06Å; V368-L372 PolarHBondContact O-N 3.27Å; V368-L676 HydrophobicContact CG2-CD1 4.45Å
369	P	78.6	Confident	86.2	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-51.8	-34.3	-177.5	-29.8	33	0	0	0	114.4	I371 L372 N373 T435 A436 A438 P439 I440	P369-I371 VanDerWaalsContact C-N 3.29Å; P369-I371 PolarHBondContact O-N 3.17Å; P369-L372 CarbonylContact O-C 3.51Å; P369-L372 WeakPolarHBondContact O-CB 3.28Å; P369-L372 PolarHBondContact O-N 2.9Å; P369-L372 VanDerWaalsContact O-N 3.12Å; P369-N373 PolarHBondContact O-N 3.06Å; P369-N373 PolarHBondContact O-ND2 2.87Å; P369-T435 WeakPolarHBondContact CD-OG1 3.36Å; P369-A436 VanDerWaalsContact CD-O 3.31Å; P369-A436 WeakPolarHBondContact CD-O 3.12Å; P369-A438 HydrophobicContact CG-CB 3.88Å; P369-A438 WeakPolarHBondContact CG-O 3.31Å; P369-P439 WeakPolarHBondContact CB-O 3.41Å; P369-I440 HydrophobicContact CB-CB 4Å; P369-I440 HydrophobicContact CB-CG1 4.37Å; P369-I440 HydrophobicContact CG-CB 4.16Å
370	R	71.1	Confident	85.5	Confident	73 Å²	73	38.3 Å²	38.3	28%	0.275	17%	0.172	S	C	.	.	H	α-helix	trans	-56.5	-41.1	177.5	-174.6	178.6	-175.6	174.9	9.1	113.1	V368 R374	V368-R370 HydrophobicContact CG2-CB 4.42Å; V368-R370 PolarHBondContact O-N 2.98Å; R370-R374 WeakPolarHBondContact O-CB 2.92Å; R370-R374 PolarHBondContact O-N 2.8Å
371	I	77.1	Confident	84.6	Confident	23 Å²	23	40.3 Å²	40.3	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-71.9	-39.7	178.8	-66.6	173.5	0	0	0	109.8	Y321 F365 V367 V368 P369 R374 I375	Y321-I371 HydrophobicContact CE2-CD1 3.45Å; Y321-I371 VanDerWaalsContact CE2-CD1 3.45Å; Y321-I371 WeakPolarHBondContact OH-CD1 2.98Å; F365-I371 HydrophobicContact CZ-CG2 4.36Å; V367-I371 HydrophobicContact CG2-CB 3.77Å; V367-I371 HydrophobicContact CG2-CG2 3.81Å; V368-I371 HydrophobicContact CG2-CD1 3.95Å; V368-I371 HydrophobicContact CG2-CG1 4Å; V368-I371 PolarHBondContact O-N 3.06Å; P369-I371 VanDerWaalsContact C-N 3.29Å; P369-I371 PolarHBondContact O-N 3.17Å; I371-R374 PolarHBondContact O-N 3.38Å; I371-I375 HydrophobicContact CG2-CD1 3.99Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.39Å; I371-I375 PolarHBondContact O-N 3.15Å
372	L	82.1	Confident	83.8	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-43.7	175.8	-68.5	-170.8	0	0	0	112.5	V367 V368 P369 I375 Y376 T435 I440 L448	V367-L372 HydrophobicContact CB-CD2 4.38Å; V367-L372 HydrophobicContact CG1-CD1 3.87Å; V367-L372 HydrophobicContact CG1-CD2 3.78Å; V367-L372 HydrophobicContact CG1-CG 3.87Å; V367-L372 HydrophobicContact CG2-CD2 3.73Å; V367-L372 HydrophobicContact CG2-CG 3.83Å; V368-L372 PolarHBondContact O-N 3.27Å; P369-L372 CarbonylContact O-C 3.51Å; P369-L372 WeakPolarHBondContact O-CB 3.28Å; P369-L372 PolarHBondContact O-N 2.9Å; P369-L372 VanDerWaalsContact O-N 3.12Å; L372-I375 HydrophobicContact CD2-CD1 4.47Å; L372-I375 PolarHBondContact O-N 3.04Å; L372-Y376 WeakPolarHBondContact O-CB 3.48Å; L372-Y376 PolarHBondContact O-N 2.99Å; L372-T435 HydrophobicContact CD1-CG2 4.13Å; L372-I440 HydrophobicContact CB-CD1 3.9Å; L372-I440 HydrophobicContact CD1-CD1 3.55Å; L372-I440 HydrophobicContact CG-CD1 4.37Å; L372-L448 HydrophobicContact CB-CD1 3.57Å; L372-L448 HydrophobicContact CD1-CD1 4.19Å; L372-L448 HydrophobicContact CD2-CD1 4.01Å; L372-L448 HydrophobicContact CG-CD1 4.11Å
373	N	75.7	Confident	83	Confident	28 Å²	28	40.1 Å²	40.1	15%	0.15	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-49.3	172.9	-69.4	-26.6	0	0	0	110.5	P369 I375 Y376 D377 V444	P369-N373 PolarHBondContact O-N 3.06Å; P369-N373 PolarHBondContact O-ND2 2.87Å; N373-I375 VanDerWaalsContact C-N 3.26Å; N373-I375 PolarHBondContact O-N 3.22Å; N373-Y376 CarbonylContact O-C 3.54Å; N373-Y376 WeakPolarHBondContact O-CA 3.33Å; N373-Y376 VanDerWaalsContact O-CB 3.31Å; N373-Y376 WeakPolarHBondContact O-CB 3.49Å; N373-Y376 PolarHBondContact O-N 3.3Å; N373-D377 VanDerWaalsContact O-CG 3.23Å; N373-D377 PolarHBondContact O-N 3.42Å; N373-D377 VanDerWaalsContact O-OD2 3.06Å; N373-V444 WeakPolarHBondContact OD1-CG1 3.49Å
374	R	74.9	Confident	82.1	Confident	169 Å²	169	45.2 Å²	45.2	64%	0.638	24%	0.238	S	C	*	.	H	α-helix	trans	-57.2	-39.4	177.3	-171.3	179.8	-175.3	-176.2	3.1	112.8	R370 I371 K378 E608	R370-R374 WeakPolarHBondContact O-CB 2.92Å; R370-R374 PolarHBondContact O-N 2.8Å; I371-R374 PolarHBondContact O-N 3.38Å; R374-K378 WeakPolarHBondContact O-CB 3.25Å; R374-K378 PolarHBondContact O-N 3.23Å; R374-E608 IonicContact NH2-OE1 2.68Å
375	I	82.1	Confident	81.7	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.082	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-47.6	175	-69.9	165.1	0	0	0	110.1	I371 L372 N373 K378 I379 L426 L448	I371-I375 HydrophobicContact CG2-CD1 3.99Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.39Å; I371-I375 PolarHBondContact O-N 3.15Å; L372-I375 HydrophobicContact CD2-CD1 4.47Å; L372-I375 PolarHBondContact O-N 3.04Å; N373-I375 VanDerWaalsContact C-N 3.26Å; N373-I375 PolarHBondContact O-N 3.22Å; I375-K378 PolarHBondContact O-N 3.46Å; I375-I379 HydrophobicContact CG2-CD1 3.67Å; I375-I379 HydrophobicContact CG2-CG1 4.49Å; I375-I379 VanDerWaalsContact O-CD1 3.28Å; I375-I379 WeakPolarHBondContact O-CD1 3.44Å; I375-I379 WeakPolarHBondContact O-CG1 3.28Å; I375-I379 PolarHBondContact O-N 3.46Å; I375-L426 HydrophobicContact CD1-CD1 3.94Å; I375-L426 HydrophobicContact CD1-CD2 3.97Å; I375-L426 HydrophobicContact CD1-CG 4.39Å; I375-L448 HydrophobicContact CG2-CD2 4.07Å
376	Y	82.8	Confident	81.2	Confident	43 Å²	43	51.7 Å²	51.7	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-51.4	176.6	173.4	-93.2	0	0	0	112.2	L372 N373 K378 I379 L380 V444 F447	L372-Y376 WeakPolarHBondContact O-CB 3.48Å; L372-Y376 PolarHBondContact O-N 2.99Å; N373-Y376 CarbonylContact O-C 3.54Å; N373-Y376 WeakPolarHBondContact O-CA 3.33Å; N373-Y376 VanDerWaalsContact O-CB 3.31Å; N373-Y376 WeakPolarHBondContact O-CB 3.49Å; N373-Y376 PolarHBondContact O-N 3.3Å; Y376-K378 PolarHBondContact O-N 3.15Å; Y376-I379 WeakPolarHBondContact O-CB 3.25Å; Y376-I379 PolarHBondContact O-N 2.86Å; Y376-I379 VanDerWaalsContact O-N 3.17Å; Y376-L380 HydrophobicContact CD1-CD1 4.14Å; Y376-L380 HydrophobicContact CE1-CD1 3.42Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y376-L380 HydrophobicContact CE1-CG 4.35Å; Y376-L380 HydrophobicContact CE2-CD1 4.02Å; Y376-L380 HydrophobicContact CE2-CG 4.49Å; Y376-L380 PolarHBondContact O-N 2.65Å; Y376-L380 WeakPolarHBondContact OH-CD1 3.43Å; Y376-V444 HydrophobicContact CD1-CG2 3.86Å; Y376-V444 HydrophobicContact CD2-CG1 4.44Å; Y376-V444 HydrophobicContact CD2-CG2 4.23Å; Y376-V444 HydrophobicContact CE1-CG2 4.09Å; Y376-V444 HydrophobicContact CE2-CG2 4.45Å; Y376-V444 HydrophobicContact CG-CG1 4.2Å; Y376-V444 HydrophobicContact CG-CG2 3.94Å; Y376-F447 HydrophobicContact CD2-CB 3.97Å; Y376-F447 AromaticContact CD2-CD1 3.41Å; Y376-F447 HydrophobicContact CD2-CD1 3.41Å; Y376-F447 VanDerWaalsContact CD2-CD1 3.41Å; Y376-F447 HydrophobicContact CD2-CD2 4.33Å; Y376-F447 AromaticContact CD2-CE1 3.88Å; Y376-F447 HydrophobicContact CD2-CE1 3.88Å; Y376-F447 AromaticContact CD2-CG 3.65Å; Y376-F447 HydrophobicContact CD2-CG 3.65Å; Y376-F447 HydrophobicContact CE2-CB 3.8Å; Y376-F447 AromaticContact CE2-CD1 3.87Å; Y376-F447 HydrophobicContact CE2-CD1 3.87Å; Y376-F447 AromaticContact CE2-CD2 3.95Å; Y376-F447 HydrophobicContact CE2-CD2 3.95Å; Y376-F447 HydrophobicContact CE2-CE1 4.4Å; Y376-F447 HydrophobicContact CE2-CE2 4.47Å; Y376-F447 AromaticContact CE2-CG 3.6Å; Y376-F447 HydrophobicContact CE2-CG 3.6Å
377	D	76.6	Confident	81	Confident	66 Å²	66	58.8 Å²	58.8	35%	0.353	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-43.4	-178.9	-60.9	-33.6	0	0	0	111	N373 I379 L380 G381	N373-D377 VanDerWaalsContact O-CG 3.23Å; N373-D377 PolarHBondContact O-N 3.42Å; N373-D377 VanDerWaalsContact O-OD2 3.06Å; D377-I379 VanDerWaalsContact C-N 3.33Å; D377-I379 PolarHBondContact O-N 2.67Å; D377-L380 PolarHBondContact O-N 3.49Å; D377-G381 PolarHBondContact O-N 3.24Å
378	K	81.4	Confident	80.9	Confident	151 Å²	151	62.8 Å²	62.8	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-39.4	175.9	-175.8	171.5	-175.3	166.9	0	112.6	R374 I375 Y376 S382	R374-K378 WeakPolarHBondContact O-CB 3.25Å; R374-K378 PolarHBondContact O-N 3.23Å; I375-K378 PolarHBondContact O-N 3.46Å; Y376-K378 PolarHBondContact O-N 3.15Å; K378-S382 WeakPolarHBondContact O-CB 3.39Å; K378-S382 PolarHBondContact O-N 3.35Å; K378-S382 VanDerWaalsContact O-N 3.09Å
379	I	85.6	Confident	81.2	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.087	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-49.3	176.5	-68.2	157	0	0	0	109.6	I375 Y376 D377 S382 L392 I422 F447	I375-I379 HydrophobicContact CG2-CD1 3.67Å; I375-I379 HydrophobicContact CG2-CG1 4.49Å; I375-I379 VanDerWaalsContact O-CD1 3.28Å; I375-I379 WeakPolarHBondContact O-CD1 3.44Å; I375-I379 WeakPolarHBondContact O-CG1 3.28Å; I375-I379 PolarHBondContact O-N 3.46Å; Y376-I379 WeakPolarHBondContact O-CB 3.25Å; Y376-I379 PolarHBondContact O-N 2.86Å; Y376-I379 VanDerWaalsContact O-N 3.17Å; D377-I379 VanDerWaalsContact C-N 3.33Å; D377-I379 PolarHBondContact O-N 2.67Å; I379-S382 PolarHBondContact O-N 3.45Å; I379-S382 PolarHBondContact O-OG 2.87Å; I379-L392 HydrophobicContact CG2-CD2 4.27Å; I379-I422 HydrophobicContact CD1-CD1 4.02Å; I379-I422 HydrophobicContact CD1-CG1 4.25Å; I379-I422 HydrophobicContact CD1-CG2 3.56Å; I379-I422 HydrophobicContact CG1-CD1 4.13Å; I379-I422 HydrophobicContact CG1-CG1 4.16Å; I379-I422 HydrophobicContact CG1-CG2 4.24Å; I379-I422 HydrophobicContact CG2-CD1 3.74Å; I379-I422 HydrophobicContact CG2-CG1 4.45Å; I379-F447 HydrophobicContact CD1-CE1 3.95Å; I379-F447 HydrophobicContact CG2-CE1 4.28Å; I379-F447 HydrophobicContact CG2-CZ 3.85Å
380	L	81.6	Confident	81.7	Confident	49 Å²	49	71.3 Å²	71.3	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-66.9	-41.2	-179.2	-67.4	-172.5	0	0	0	112.8	Y376 D377 S382 L383 L392	Y376-L380 HydrophobicContact CD1-CD1 4.14Å; Y376-L380 HydrophobicContact CE1-CD1 3.42Å; Y376-L380 VanDerWaalsContact CE1-CD1 3.42Å; Y376-L380 HydrophobicContact CE1-CG 4.35Å; Y376-L380 HydrophobicContact CE2-CD1 4.02Å; Y376-L380 HydrophobicContact CE2-CG 4.49Å; Y376-L380 PolarHBondContact O-N 2.65Å; Y376-L380 WeakPolarHBondContact OH-CD1 3.43Å; D377-L380 PolarHBondContact O-N 3.49Å; L380-S382 PolarHBondContact O-N 2.73Å; L380-L383 HydrophobicContact CD2-CD1 4.15Å; L380-L383 WeakPolarHBondContact O-CB 3.32Å; L380-L383 PolarHBondContact O-N 3.43Å; L380-L383 VanDerWaalsContact O-N 3.16Å; L380-L392 HydrophobicContact CD2-CD2 4.16Å
381	G	77.1	Confident	82.7	Confident	59 Å²	59	71 Å²	71	61%	0.608	38%	0.379	S	S	*	.	H	α-helix	trans	-64.1	-27.8	176.8	0	0	0	0	0	113.3	D377 L383	D377-G381 PolarHBondContact O-N 3.24Å; G381-L383 PolarHBondContact O-N 2.83Å
382	S	79.9	Confident	83.4	Confident	80 Å²	80	70.3 Å²	70.3	56%	0.559	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.2	175.9	75.8	0	0	0	0	114.5	K378 I379 L380	K378-S382 WeakPolarHBondContact O-CB 3.39Å; K378-S382 PolarHBondContact O-N 3.35Å; K378-S382 VanDerWaalsContact O-N 3.09Å; I379-S382 PolarHBondContact O-N 3.45Å; I379-S382 PolarHBondContact O-OG 2.87Å; L380-S382 PolarHBondContact O-N 2.73Å
383	L	82.1	Confident	83.8	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.115	40%	0.399	C	S	.	.			trans	-93.3	102.7	-176.6	-54.9	170.9	0	0	0	111.2	L380 G381 Q388 R389 L392	L380-L383 HydrophobicContact CD2-CD1 4.15Å; L380-L383 WeakPolarHBondContact O-CB 3.32Å; L380-L383 PolarHBondContact O-N 3.43Å; L380-L383 VanDerWaalsContact O-N 3.16Å; G381-L383 PolarHBondContact O-N 2.83Å; L383-Q388 HydrophobicContact CD2-CB 4.23Å; L383-R389 HydrophobicContact CB-CG 3.76Å; L383-R389 HydrophobicContact CD1-CG 3.95Å; L383-R389 HydrophobicContact CG-CG 4.49Å; L383-R389 PolarHBondContact O-NE 3.35Å; L383-R389 PolarHBondContact O-NH2 3.1Å; L383-R389 VanDerWaalsContact O-NH2 3.12Å; L383-L392 HydrophobicContact CD1-CB 4.5Å; L383-L392 HydrophobicContact CD1-CD2 3.39Å; L383-L392 HydrophobicContact CD2-CD2 4.49Å; L383-L392 HydrophobicContact CG-CD2 4.47Å
384	T	79.1	Confident	84.7	Confident	123 Å²	123	80 Å²	80	76%	0.755	42%	0.415	S	S	*	.			trans	-89.2	-24.2	-177.9	56.9	0	0	0	0	113.4
385	S	87.3	Confident	85.6	Confident	39 Å²	39	72 Å²	72	27%	0.273	38%	0.384	S	S	.	.	S	Bend	trans	-108.6	138.4	-174.1	150.9	0	0	0	0	113.1	F387 Q388 R389	S385-F387 PolarHBondContact O-N 3.08Å; S385-F387 PolarHBondContact OG-N 2.92Å; S385-Q388 WeakPolarHBondContact O-CB 3.45Å; S385-Q388 PolarHBondContact O-N 3.34Å; S385-Q388 VanDerWaalsContact O-N 3.09Å; S385-Q388 PolarHBondContact OG-N 3.26Å; S385-R389 PolarHBondContact O-N 3.12Å; S385-R389 VanDerWaalsContact O-N 3.11Å
386	P	85.8	Confident	86.1	Confident	110 Å²	110	71.6 Å²	71.6	71%	0.714	38%	0.383	S	S	*	.	H	α-helix	trans	-56.4	-34.3	173.4	-25.3	34	0	0	0	113.4	R389 A390	P386-R389 PolarHBondContact O-N 3.42Å; P386-A390 WeakPolarHBondContact O-CB 3.43Å; P386-A390 PolarHBondContact O-N 3.16Å
387	F	89	Confident	86.7	Confident	151 Å²	151	78.7 Å²	78.7	66%	0.662	41%	0.409	S	S	*	.	H	α-helix	trans	-66.6	-42.3	176.4	175.9	-97.8	0	0	0	111.8	S385 R389 A390 L391	S385-F387 PolarHBondContact O-N 3.08Å; S385-F387 PolarHBondContact OG-N 2.92Å; F387-R389 VanDerWaalsContact C-N 3.31Å; F387-R389 PolarHBondContact O-N 2.57Å; F387-A390 PolarHBondContact O-N 3.41Å; F387-L391 HydrophobicContact CE1-CD2 4.46Å; F387-L391 WeakPolarHBondContact O-CB 3.39Å; F387-L391 PolarHBondContact O-N 3.49Å
388	Q	87	Confident	87.5	Confident	84 Å²	84	81.3 Å²	81.3	39%	0.393	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-40.9	176.2	-68.1	175.5	-22.5	0	0	111.3	L383 S385 L391 L392	L383-Q388 HydrophobicContact CD2-CB 4.23Å; S385-Q388 WeakPolarHBondContact O-CB 3.45Å; S385-Q388 PolarHBondContact O-N 3.34Å; S385-Q388 VanDerWaalsContact O-N 3.09Å; S385-Q388 PolarHBondContact OG-N 3.26Å; Q388-L391 PolarHBondContact O-N 3.35Å; Q388-L392 WeakPolarHBondContact O-CB 3.39Å; Q388-L392 PolarHBondContact O-N 3.45Å
389	R	88.3	Confident	88.1	Confident	130 Å²	130	74.4 Å²	74.4	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-62.2	-49.3	174.6	-65.8	-178.3	-174.9	-177.9	1.3	111.3	L383 S385 P386 F387 L391 L392 H393	L383-R389 HydrophobicContact CB-CG 3.76Å; L383-R389 HydrophobicContact CD1-CG 3.95Å; L383-R389 HydrophobicContact CG-CG 4.49Å; L383-R389 PolarHBondContact O-NE 3.35Å; L383-R389 PolarHBondContact O-NH2 3.1Å; L383-R389 VanDerWaalsContact O-NH2 3.12Å; S385-R389 PolarHBondContact O-N 3.12Å; S385-R389 VanDerWaalsContact O-N 3.11Å; P386-R389 PolarHBondContact O-N 3.42Å; F387-R389 VanDerWaalsContact C-N 3.31Å; F387-R389 PolarHBondContact O-N 2.57Å; R389-L391 VanDerWaalsContact C-N 3.34Å; R389-L391 PolarHBondContact O-N 2.83Å; R389-L392 PolarHBondContact O-N 3.38Å; R389-H393 PolarHBondContact O-CD2 2.89Å; R389-H393 PolarHBondContact O-N 3.12Å
390	A	89.6	Confident	88.5	Confident	59 Å²	59	76.4 Å²	76.4	49%	0.488	39%	0.393	S	S	.	.	H	α-helix	trans	-59.3	-43.7	178.2	0	0	0	0	0	112.2	P386 F387 H393 Y394	P386-A390 WeakPolarHBondContact O-CB 3.43Å; P386-A390 PolarHBondContact O-N 3.16Å; F387-A390 PolarHBondContact O-N 3.41Å; A390-H393 PolarHBondContact O-N 2.83Å; A390-Y394 WeakPolarHBondContact O-CB 3.37Å; A390-Y394 PolarHBondContact O-N 3.17Å
391	L	91.5	Very high	89	Confident	67 Å²	67	76 Å²	76	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-44.5	176.4	180	62.3	0	0	0	111.8	F387 Q388 R389 Y394 A395 W414 V418	F387-L391 HydrophobicContact CE1-CD2 4.46Å; F387-L391 WeakPolarHBondContact O-CB 3.39Å; F387-L391 PolarHBondContact O-N 3.49Å; Q388-L391 PolarHBondContact O-N 3.35Å; R389-L391 VanDerWaalsContact C-N 3.34Å; R389-L391 PolarHBondContact O-N 2.83Å; L391-Y394 PolarHBondContact O-N 3.46Å; L391-A395 WeakPolarHBondContact O-CB 3.41Å; L391-A395 PolarHBondContact O-N 3.09Å; L391-W414 HydrophobicContact CD1-CZ3 4.24Å; L391-V418 HydrophobicContact CD2-CG2 4.42Å; L391-V418 HydrophobicContact CG-CG2 4.27Å
392	L	91.9	Very high	89.8	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-61.2	-50.4	176.9	178.5	66.8	0	0	0	111.1	I379 L380 L383 Q388 R389 Y394 A395 V396 V418 F419 F447	I379-L392 HydrophobicContact CG2-CD2 4.27Å; L380-L392 HydrophobicContact CD2-CD2 4.16Å; L383-L392 HydrophobicContact CD1-CB 4.5Å; L383-L392 HydrophobicContact CD1-CD2 3.39Å; L383-L392 HydrophobicContact CD2-CD2 4.49Å; L383-L392 HydrophobicContact CG-CD2 4.47Å; Q388-L392 WeakPolarHBondContact O-CB 3.39Å; Q388-L392 PolarHBondContact O-N 3.45Å; R389-L392 PolarHBondContact O-N 3.38Å; L392-Y394 VanDerWaalsContact C-N 3.28Å; L392-Y394 PolarHBondContact O-N 3.03Å; L392-A395 PolarHBondContact O-N 3.02Å; L392-V396 HydrophobicContact CD1-CG2 4.08Å; L392-V396 HydrophobicContact CG-CG2 4.24Å; L392-V396 WeakPolarHBondContact O-CB 3.47Å; L392-V396 VanDerWaalsContact O-CG2 3.27Å; L392-V396 WeakPolarHBondContact O-CG2 3.42Å; L392-V396 PolarHBondContact O-N 2.94Å; L392-V418 HydrophobicContact CD1-CG1 3.68Å; L392-F419 HydrophobicContact CD1-CD1 4.37Å; L392-F419 HydrophobicContact CD1-CE1 3.69Å; L392-F447 HydrophobicContact CD2-CE2 4.13Å; L392-F447 HydrophobicContact CD2-CZ 4.19Å; L392-F447 HydrophobicContact CG-CE2 4.44Å
393	H	91.1	Very high	90.4	Very high	115 Å²	115	72 Å²	72	53%	0.532	35%	0.354	S	S	.	.	H	α-helix	trans	-59	-41	179	-76.2	-64.5	0	0	0	111.9	R389 A390 V396 R397	R389-H393 PolarHBondContact O-CD2 2.89Å; R389-H393 PolarHBondContact O-N 3.12Å; A390-H393 PolarHBondContact O-N 2.83Å; H393-V396 PolarHBondContact O-N 2.78Å; H393-R397 WeakPolarHBondContact O-CB 3.27Å; H393-R397 PolarHBondContact O-N 2.94Å
394	Y	93.4	Very high	90.7	Very high	124 Å²	124	75.3 Å²	75.3	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-48.4	175.1	-175.5	-101.8	0	0	0	111.8	A390 L391 L392 V396 R397 R398 W414	A390-Y394 WeakPolarHBondContact O-CB 3.37Å; A390-Y394 PolarHBondContact O-N 3.17Å; L391-Y394 PolarHBondContact O-N 3.46Å; L392-Y394 VanDerWaalsContact C-N 3.28Å; L392-Y394 PolarHBondContact O-N 3.03Å; Y394-V396 PolarHBondContact O-N 2.98Å; Y394-R397 PolarHBondContact O-N 3.25Å; Y394-R398 HydrophobicContact CD1-CG 4.34Å; Y394-R398 HydrophobicContact CE1-CG 4.01Å; Y394-R398 WeakPolarHBondContact O-CG 3.27Å; Y394-R398 PolarHBondContact O-N 3.27Å; Y394-W414 AromaticContact CD1-CH2 3.59Å; Y394-W414 HydrophobicContact CD1-CH2 3.59Å; Y394-W414 AromaticContact CD1-CZ2 3.98Å; Y394-W414 HydrophobicContact CD1-CZ2 3.98Å; Y394-W414 HydrophobicContact CD1-CZ3 4.11Å; Y394-W414 AromaticContact CE1-CH2 3.41Å; Y394-W414 HydrophobicContact CE1-CH2 3.41Å; Y394-W414 VanDerWaalsContact CE1-CH2 3.41Å; Y394-W414 AromaticContact CE1-CZ2 3.52Å; Y394-W414 HydrophobicContact CE1-CZ2 3.52Å; Y394-W414 HydrophobicContact CE1-CZ3 4.37Å
395	A	93.9	Very high	91.2	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-43.9	178.1	0	0	0	0	0	112	L391 L392 R398 K399 W414 V418 F419	L391-A395 WeakPolarHBondContact O-CB 3.41Å; L391-A395 PolarHBondContact O-N 3.09Å; L392-A395 PolarHBondContact O-N 3.02Å; A395-R398 PolarHBondContact O-N 3.29Å; A395-K399 PolarHBondContact O-N 2.78Å; A395-W414 HydrophobicContact CB-CB 4.2Å; A395-W414 HydrophobicContact CB-CD2 3.95Å; A395-W414 HydrophobicContact CB-CE3 3.62Å; A395-W414 HydrophobicContact CB-CG 4.2Å; A395-W414 HydrophobicContact CB-CZ3 4.38Å; A395-V418 HydrophobicContact CB-CB 4.35Å; A395-V418 HydrophobicContact CB-CG1 4.38Å; A395-V418 HydrophobicContact CB-CG2 4.04Å; A395-F419 HydrophobicContact CB-CE1 4.32Å; A395-F419 HydrophobicContact CB-CE2 4.08Å; A395-F419 HydrophobicContact CB-CZ 3.58Å
396	V	94.2	Very high	91.3	Very high	8 Å²	8	74.9 Å²	74.9	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-60.2	-47.9	176.8	168.8	0	0	0	0	110.3	L392 H393 Y394 R398 K399 Q400 F419 F447 A450 T451	L392-V396 HydrophobicContact CD1-CG2 4.08Å; L392-V396 HydrophobicContact CG-CG2 4.24Å; L392-V396 WeakPolarHBondContact O-CB 3.47Å; L392-V396 VanDerWaalsContact O-CG2 3.27Å; L392-V396 WeakPolarHBondContact O-CG2 3.42Å; L392-V396 PolarHBondContact O-N 2.94Å; H393-V396 PolarHBondContact O-N 2.78Å; Y394-V396 PolarHBondContact O-N 2.98Å; V396-R398 VanDerWaalsContact C-N 3.27Å; V396-R398 PolarHBondContact O-N 2.71Å; V396-K399 PolarHBondContact O-N 2.7Å; V396-K399 VanDerWaalsContact O-N 3.13Å; V396-Q400 HydrophobicContact CG1-CG 4.21Å; V396-Q400 WeakPolarHBondContact O-CG 3.41Å; V396-Q400 PolarHBondContact O-N 2.86Å; V396-F419 HydrophobicContact CG2-CE1 4.04Å; V396-F419 HydrophobicContact CG2-CZ 4.07Å; V396-F447 HydrophobicContact CG1-CD2 4.21Å; V396-F447 HydrophobicContact CG2-CD2 3.95Å; V396-F447 HydrophobicContact CG2-CE2 3.73Å; V396-A450 HydrophobicContact CG1-CB 4.14Å; V396-T451 HydrophobicContact CG2-CG2 3.72Å
397	R	94.3	Very high	91.6	Very high	191 Å²	191	70.4 Å²	70.4	72%	0.721	33%	0.329	S	S	*	.	H	α-helix	trans	-59.7	-37.8	178.4	-173.1	175.3	178.7	158.5	0.3	112.2	H393 Y394 A401	H393-R397 WeakPolarHBondContact O-CB 3.27Å; H393-R397 PolarHBondContact O-N 2.94Å; Y394-R397 PolarHBondContact O-N 3.25Å; R397-A401 PolarHBondContact O-N 3.4Å; R397-A401 VanDerWaalsContact O-N 3.1Å
398	R	94.3	Very high	91.6	Very high	122 Å²	122	65.3 Å²	65.3	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-44	175.5	-68	-60.8	-60.1	-170.7	-3.9	111.9	Y394 A395 V396 A401 E402 W414	Y394-R398 HydrophobicContact CD1-CG 4.34Å; Y394-R398 HydrophobicContact CE1-CG 4.01Å; Y394-R398 WeakPolarHBondContact O-CG 3.27Å; Y394-R398 PolarHBondContact O-N 3.27Å; A395-R398 PolarHBondContact O-N 3.29Å; V396-R398 VanDerWaalsContact C-N 3.27Å; V396-R398 PolarHBondContact O-N 2.71Å; R398-A401 PolarHBondContact O-N 3.05Å; R398-E402 PolarHBondContact O-N 2.99Å; R398-W414 HydrophobicContact CG-CZ2 4.09Å
399	K	93.7	Very high	91.7	Very high	5 Å²	5	64 Å²	64	2%	0.022	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-39.6	176.2	-69.4	-70.6	-69.6	-170	0	112.6	A395 V396 A401 E402 L403 R409 D415 F419 A450	A395-K399 PolarHBondContact O-N 2.78Å; V396-K399 PolarHBondContact O-N 2.7Å; V396-K399 VanDerWaalsContact O-N 3.13Å; K399-A401 VanDerWaalsContact C-N 3.26Å; K399-A401 PolarHBondContact O-N 3.1Å; K399-E402 IonicContact NZ-OE2 2.67Å; K399-E402 WeakPolarHBondContact O-CA 3.49Å; K399-E402 WeakPolarHBondContact O-CB 3.34Å; K399-E402 PolarHBondContact O-N 3.25Å; K399-L403 WeakPolarHBondContact O-CG 3.33Å; K399-L403 PolarHBondContact O-N 2.88Å; K399-R409 PolarHBondContact NZ-O 2.81Å; K399-D415 IonicContact NZ-OD1 3.55Å; K399-D415 PolarHBondContact NZ-OD1 2.74Å; K399-D415 IonicContact NZ-OD2 2.67Å; K399-D415 PolarHBondContact NZ-OD2 2.74Å; K399-F419 HydrophobicContact CD-CE2 4.2Å; K399-F419 HydrophobicContact CG-CD2 4.26Å; K399-F419 HydrophobicContact CG-CE2 3.46Å; K399-F419 VanDerWaalsContact CG-CE2 3.46Å; K399-F419 HydrophobicContact CG-CZ 4.2Å; K399-A450 HydrophobicContact CB-CB 3.85Å; K399-A450 WeakPolarHBondContact CB-O 3.49Å; K399-A450 WeakPolarHBondContact CE-O 2.94Å; K399-A450 WeakPolarHBondContact CG-O 3.48Å
400	Q	93.6	Very high	91.8	Very high	59 Å²	59	61.6 Å²	61.6	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-40.5	173	-73.5	172.5	-32.4	0	0	111.5	V396 E402 L403 C404 S446 A450	V396-Q400 HydrophobicContact CG1-CG 4.21Å; V396-Q400 WeakPolarHBondContact O-CG 3.41Å; V396-Q400 PolarHBondContact O-N 2.86Å; Q400-E402 VanDerWaalsContact C-N 3.27Å; Q400-E402 PolarHBondContact O-N 3.49Å; Q400-L403 WeakPolarHBondContact O-CB 3.49Å; Q400-L403 PolarHBondContact O-N 3.32Å; Q400-C404 PolarHBondContact O-N 3.25Å; Q400-C404 PolarHBondContact O-SG 2.81Å; Q400-S446 PolarHBondContact NE2-OG 2.84Å; Q400-A450 HydrophobicContact CG-CB 3.83Å
401	A	92.6	Very high	91.7	Very high	41 Å²	41	62.7 Å²	62.7	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-68.1	-23.1	175.1	0	0	0	0	0	113.9	R397 R398 K399 R405	R397-A401 PolarHBondContact O-N 3.4Å; R397-A401 VanDerWaalsContact O-N 3.1Å; R398-A401 PolarHBondContact O-N 3.05Å; K399-A401 VanDerWaalsContact C-N 3.26Å; K399-A401 PolarHBondContact O-N 3.1Å; A401-R405 PolarHBondContact O-NE 3.19Å; A401-R405 PolarHBondContact O-NH2 3.27Å
402	E	92.8	Very high	91.6	Very high	32 Å²	32	59.8 Å²	59.8	15%	0.15	28%	0.282	C	S	.	.	H	α-helix	trans	-74.4	-44.8	168.8	-69.1	-174	159.1	0	0	110.6	R398 K399 Q400 C404 R405 G406 I407	R398-E402 PolarHBondContact O-N 2.99Å; K399-E402 IonicContact NZ-OE2 2.67Å; K399-E402 WeakPolarHBondContact O-CA 3.49Å; K399-E402 WeakPolarHBondContact O-CB 3.34Å; K399-E402 PolarHBondContact O-N 3.25Å; Q400-E402 VanDerWaalsContact C-N 3.27Å; Q400-E402 PolarHBondContact O-N 3.49Å; E402-C404 PolarHBondContact O-N 3.32Å; E402-R405 CarbonylContact O-C 3.6Å; E402-R405 WeakPolarHBondContact O-CA 3.18Å; E402-R405 WeakPolarHBondContact O-CB 3.31Å; E402-R405 PolarHBondContact O-N 2.89Å; E402-G406 PolarHBondContact O-N 3.37Å; E402-I407 CarbonylContact C-O 3.6Å; E402-I407 HydrophobicContact CB-CB 4.04Å; E402-I407 HydrophobicContact CB-CG2 4.15Å; E402-I407 WeakPolarHBondContact O-CB 3.43Å; E402-I407 PolarHBondContact O-N 2.95Å
403	L	92.1	Very high	91.5	Very high	24 Å²	24	64.7 Å²	64.7	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-42.3	177.7	-67.1	172.7	0	0	0	112.5	K399 Q400 R405 G406 V408 R449 A450	K399-L403 WeakPolarHBondContact O-CG 3.33Å; K399-L403 PolarHBondContact O-N 2.88Å; Q400-L403 WeakPolarHBondContact O-CB 3.49Å; Q400-L403 PolarHBondContact O-N 3.32Å; L403-R405 PolarHBondContact O-N 2.97Å; L403-R405 VanDerWaalsContact O-N 3.13Å; L403-G406 WeakPolarHBondContact O-CA 3.33Å; L403-G406 PolarHBondContact O-N 3.38Å; L403-V408 HydrophobicContact CD2-CG2 3.86Å; L403-R449 HydrophobicContact CD1-CB 3.74Å; L403-A450 HydrophobicContact CD1-CB 4.17Å
404	C	90.2	Very high	91.5	Very high	91 Å²	91	61.4 Å²	61.4	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.3	174.8	-62.7	0	0	0	0	113.3	Q400 E402	Q400-C404 PolarHBondContact O-N 3.25Å; Q400-C404 PolarHBondContact O-SG 2.81Å; E402-C404 PolarHBondContact O-N 3.32Å
405	R	89.4	Confident	91.3	Very high	143 Å²	143	55.6 Å²	55.6	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	10.7	172.6	-74.3	179	-82.6	160.2	-4.1	112.4	P56 A401 E402 L403 I407	P56-R405 VanDerWaalsContact CB-O 3.24Å; P56-R405 WeakPolarHBondContact CB-O 3.31Å; P56-R405 VanDerWaalsContact CG-O 3.3Å; P56-R405 WeakPolarHBondContact CG-O 3.43Å; A401-R405 PolarHBondContact O-NE 3.19Å; A401-R405 PolarHBondContact O-NH2 3.27Å; E402-R405 CarbonylContact O-C 3.6Å; E402-R405 WeakPolarHBondContact O-CA 3.18Å; E402-R405 WeakPolarHBondContact O-CB 3.31Å; E402-R405 PolarHBondContact O-N 2.89Å; L403-R405 PolarHBondContact O-N 2.97Å; L403-R405 VanDerWaalsContact O-N 3.13Å; R405-I407 VanDerWaalsContact C-N 3.27Å; R405-I407 HydrophobicContact CB-CD1 4.27Å; R405-I407 PolarHBondContact O-N 2.84Å
406	G	89.2	Confident	91	Very high	9 Å²	9	62.6 Å²	62.6	9%	0.093	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	11.3	-177.9	0	0	0	0	0	114.4	P56 V57 E402 L403	P56-G406 CarbonylContact C-O 3.52Å; P56-G406 WeakPolarHBondContact CA-O 3.29Å; V57-G406 PolarHBondContact N-O 2.76Å; E402-G406 PolarHBondContact O-N 3.37Å; L403-G406 WeakPolarHBondContact O-CA 3.33Å; L403-G406 PolarHBondContact O-N 3.38Å
407	I	90.8	Very high	90.7	Very high	16 Å²	16	68 Å²	68	8%	0.082	33%	0.326	C	S	.	.			trans	-91.3	111.3	-177.4	-65.4	162.7	0	0	0	109.4	P54 P56 E402 R405 R409	P54-I407 HydrophobicContact CB-CD1 4.44Å; P54-I407 HydrophobicContact CB-CG1 4.46Å; P54-I407 HydrophobicContact CB-CG2 3.62Å; P54-I407 HydrophobicContact CG-CD1 4.13Å; P54-I407 HydrophobicContact CG-CG2 4.08Å; P56-I407 HydrophobicContact CG-CG1 4.26Å; E402-I407 CarbonylContact C-O 3.6Å; E402-I407 HydrophobicContact CB-CB 4.04Å; E402-I407 HydrophobicContact CB-CG2 4.15Å; E402-I407 WeakPolarHBondContact O-CB 3.43Å; E402-I407 PolarHBondContact O-N 2.95Å; R405-I407 VanDerWaalsContact C-N 3.27Å; R405-I407 HydrophobicContact CB-CD1 4.27Å; R405-I407 PolarHBondContact O-N 2.84Å; I407-R409 HydrophobicContact CG2-CG 4.28Å
408	V	90.5	Very high	90.4	Very high	45 Å²	45	60.3 Å²	60.3	27%	0.273	30%	0.3	S	S	.	.			trans	-112.5	121	172.8	-173	0	0	0	0	108.4	L403 I455	L403-V408 HydrophobicContact CD2-CG2 3.86Å; V408-I455 HydrophobicContact CG1-CG1 4.07Å
409	R	88.9	Confident	90.3	Very high	55 Å²	55	54.5 Å²	54.5	21%	0.208	28%	0.279	C	S	.	.			trans	-155.8	159.9	-176.5	69.5	-176.3	-64.6	-175.6	6.6	111.6	K399 I407 D411 G453	K399-R409 PolarHBondContact NZ-O 2.81Å; I407-R409 HydrophobicContact CG2-CG 4.28Å; R409-D411 WeakPolarHBondContact CB-OD1 3.42Å; R409-D411 IonicContact CZ-OD1 3.45Å; R409-D411 IonicContact CZ-OD2 3.43Å; R409-D411 IonicContact NE-OD1 2.72Å; R409-D411 PolarHBondContact NE-OD1 2.82Å; R409-D411 IonicContact NE-OD2 3.6Å; R409-D411 IonicContact NH2-OD1 3.8Å; R409-D411 PolarHBondContact NH2-OD1 3.08Å; R409-D411 IonicContact NH2-OD2 2.73Å; R409-D411 PolarHBondContact NH2-OD2 2.87Å; R409-G453 CarbonylContact C-O 3.58Å; R409-G453 VanDerWaalsContact O-CA 3.25Å; R409-G453 WeakPolarHBondContact O-CA 3.49Å
410	N	88.9	Confident	90.1	Very high	80 Å²	80	61.1 Å²	61.1	43%	0.428	31%	0.307	S	S	.	.	S	Bend	trans	-123.2	12.9	176.9	65.9	-7.2	0	0	0	113.6	D415	N410-D415 WeakPolarHBondContact O-CB 3.48Å
411	D	89.1	Confident	89.8	Confident	82 Å²	82	67.1 Å²	67.1	44%	0.439	33%	0.332	S	S	.	.			trans	-120.8	14.4	-171.5	68.4	-34.2	0	0	0	113.5	R409 D415	R409-D411 WeakPolarHBondContact CB-OD1 3.42Å; R409-D411 IonicContact CZ-OD1 3.45Å; R409-D411 IonicContact CZ-OD2 3.43Å; R409-D411 IonicContact NE-OD1 2.72Å; R409-D411 PolarHBondContact NE-OD1 2.82Å; R409-D411 IonicContact NE-OD2 3.6Å; R409-D411 IonicContact NH2-OD1 3.8Å; R409-D411 PolarHBondContact NH2-OD1 3.08Å; R409-D411 IonicContact NH2-OD2 2.73Å; R409-D411 PolarHBondContact NH2-OD2 2.87Å; D411-D415 PolarHBondContact N-OD2 2.96Å
412	S	89.1	Confident	89.6	Confident	6 Å²	6	66 Å²	66	4%	0.042	32%	0.321	C	S	.	.	S	Bend	trans	-70	168.5	175.7	80.5	0	0	0	0	112.2	W414 D415 K416	S412-W414 PolarHBondContact O-N 3.33Å; S412-W414 PolarHBondContact OG-N 2.82Å; S412-D415 WeakPolarHBondContact CA-OD2 3.42Å; S412-D415 WeakPolarHBondContact CB-OD2 3.41Å; S412-D415 PolarHBondContact N-OD2 2.86Å; S412-D415 WeakPolarHBondContact O-CB 3.31Å; S412-D415 PolarHBondContact O-N 3.32Å; S412-D415 VanDerWaalsContact O-N 3.15Å; S412-D415 PolarHBondContact OG-N 2.77Å; S412-D415 PolarHBondContact OG-OD2 2.92Å; S412-K416 PolarHBondContact O-N 3.19Å; S412-K416 VanDerWaalsContact O-N 3.12Å
413	L	88.9	Confident	89.6	Confident	111 Å²	111	65.4 Å²	65.4	58%	0.581	32%	0.318	S	S	*	.	H	α-helix	trans	-56.3	-39.2	172.5	-176.2	70.9	0	0	0	111.6	D415 K416 L417	L413-D415 VanDerWaalsContact C-N 3.34Å; L413-K416 PolarHBondContact O-N 2.96Å; L413-L417 HydrophobicContact CD1-CD1 3.93Å; L413-L417 HydrophobicContact CD1-CG 4.3Å; L413-L417 HydrophobicContact CD2-CD1 4.27Å; L413-L417 HydrophobicContact CG-CD1 3.75Å; L413-L417 HydrophobicContact CG-CG 4.37Å; L413-L417 WeakPolarHBondContact O-CB 3.47Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 3.31Å
414	W	91.3	Very high	89.5	Confident	46 Å²	46	66.8 Å²	66.8	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-33.9	179.1	-55.2	113.9	0	0	0	112.4	L391 Y394 A395 R398 S412 K416 V418 F419	L391-W414 HydrophobicContact CD1-CZ3 4.24Å; Y394-W414 AromaticContact CD1-CH2 3.59Å; Y394-W414 HydrophobicContact CD1-CH2 3.59Å; Y394-W414 AromaticContact CD1-CZ2 3.98Å; Y394-W414 HydrophobicContact CD1-CZ2 3.98Å; Y394-W414 HydrophobicContact CD1-CZ3 4.11Å; Y394-W414 AromaticContact CE1-CH2 3.41Å; Y394-W414 HydrophobicContact CE1-CH2 3.41Å; Y394-W414 VanDerWaalsContact CE1-CH2 3.41Å; Y394-W414 AromaticContact CE1-CZ2 3.52Å; Y394-W414 HydrophobicContact CE1-CZ2 3.52Å; Y394-W414 HydrophobicContact CE1-CZ3 4.37Å; A395-W414 HydrophobicContact CB-CB 4.2Å; A395-W414 HydrophobicContact CB-CD2 3.95Å; A395-W414 HydrophobicContact CB-CE3 3.62Å; A395-W414 HydrophobicContact CB-CG 4.2Å; A395-W414 HydrophobicContact CB-CZ3 4.38Å; R398-W414 HydrophobicContact CG-CZ2 4.09Å; S412-W414 PolarHBondContact O-N 3.33Å; S412-W414 PolarHBondContact OG-N 2.82Å; W414-K416 VanDerWaalsContact C-N 3.35Å; W414-V418 HydrophobicContact CE3-CG2 4.4Å; W414-V418 WeakPolarHBondContact O-CA 3.47Å; W414-V418 WeakPolarHBondContact O-CB 2.88Å; W414-V418 PolarHBondContact O-N 2.87Å; W414-F419 HydrophobicContact CB-CD2 4.06Å; W414-F419 HydrophobicContact CB-CE2 3.63Å; W414-F419 WeakPolarHBondContact O-CD2 3.43Å; W414-F419 PolarHBondContact O-N 2.69Å
415	D	89.1	Confident	89.2	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.011	32%	0.317	C	S	.	.	I	π-helix	trans	-63.6	-45.3	174	-61.4	-65.9	0	0	0	110.2	K399 N410 D411 S412 L413 F419 K420 Q423	K399-D415 IonicContact NZ-OD1 3.55Å; K399-D415 PolarHBondContact NZ-OD1 2.74Å; K399-D415 IonicContact NZ-OD2 2.67Å; K399-D415 PolarHBondContact NZ-OD2 2.74Å; N410-D415 WeakPolarHBondContact O-CB 3.48Å; D411-D415 PolarHBondContact N-OD2 2.96Å; S412-D415 WeakPolarHBondContact CA-OD2 3.42Å; S412-D415 WeakPolarHBondContact CB-OD2 3.41Å; S412-D415 PolarHBondContact N-OD2 2.86Å; S412-D415 WeakPolarHBondContact O-CB 3.31Å; S412-D415 PolarHBondContact O-N 3.32Å; S412-D415 VanDerWaalsContact O-N 3.15Å; S412-D415 PolarHBondContact OG-N 2.77Å; S412-D415 PolarHBondContact OG-OD2 2.92Å; L413-D415 VanDerWaalsContact C-N 3.34Å; D415-F419 CarbonylContact O-C 3.58Å; D415-F419 PolarHBondContact O-N 2.87Å; D415-K420 WeakPolarHBondContact O-CA 3.31Å; D415-K420 VanDerWaalsContact O-CB 3.32Å; D415-K420 WeakPolarHBondContact O-CB 3.44Å; D415-K420 PolarHBondContact O-N 3.48Å; D415-Q423 PolarHBondContact OD1-NE2 2.8Å
416	K	88.7	Confident	89.1	Confident	147 Å²	147	57.9 Å²	57.9	64%	0.639	29%	0.293	S	S	*	.	I	π-helix	trans	-66.1	-40	179.1	-65.9	178.1	-174.3	178.8	0	113.4	S412 L413 W414	S412-K416 PolarHBondContact O-N 3.19Å; S412-K416 VanDerWaalsContact O-N 3.12Å; L413-K416 PolarHBondContact O-N 2.96Å; W414-K416 VanDerWaalsContact C-N 3.35Å
417	L	86.5	Confident	89.1	Confident	121 Å²	121	57.9 Å²	57.9	63%	0.634	29%	0.293	S	S	*	.	I	π-helix	trans	-87.3	-38.8	-174.1	-66.4	177.6	0	0	0	113.9	L413	L413-L417 HydrophobicContact CD1-CD1 3.93Å; L413-L417 HydrophobicContact CD1-CG 4.3Å; L413-L417 HydrophobicContact CD2-CD1 4.27Å; L413-L417 HydrophobicContact CG-CD1 3.75Å; L413-L417 HydrophobicContact CG-CG 4.37Å; L413-L417 WeakPolarHBondContact O-CB 3.47Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 3.31Å
418	V	89.1	Confident	89.1	Confident	30 Å²	30	58.7 Å²	58.7	18%	0.182	31%	0.305	C	S	.	.	I	π-helix	trans	-117.3	-52.5	-168.4	-174.8	0	0	0	0	111.2	L391 L392 A395 W414	L391-V418 HydrophobicContact CD2-CG2 4.42Å; L391-V418 HydrophobicContact CG-CG2 4.27Å; L392-V418 HydrophobicContact CD1-CG1 3.68Å; A395-V418 HydrophobicContact CB-CB 4.35Å; A395-V418 HydrophobicContact CB-CG1 4.38Å; A395-V418 HydrophobicContact CB-CG2 4.04Å; W414-V418 HydrophobicContact CE3-CG2 4.4Å; W414-V418 WeakPolarHBondContact O-CA 3.47Å; W414-V418 WeakPolarHBondContact O-CB 2.88Å; W414-V418 PolarHBondContact O-N 2.87Å
419	F	91.7	Very high	89.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.314	C	S	.	.	I	π-helix	trans	-88.1	-13.1	-166.6	-49.6	-53	0	0	0	115.3	L392 A395 V396 K399 W414 D415 K421 I422 Q423 T451	L392-F419 HydrophobicContact CD1-CD1 4.37Å; L392-F419 HydrophobicContact CD1-CE1 3.69Å; A395-F419 HydrophobicContact CB-CE1 4.32Å; A395-F419 HydrophobicContact CB-CE2 4.08Å; A395-F419 HydrophobicContact CB-CZ 3.58Å; V396-F419 HydrophobicContact CG2-CE1 4.04Å; V396-F419 HydrophobicContact CG2-CZ 4.07Å; K399-F419 HydrophobicContact CD-CE2 4.2Å; K399-F419 HydrophobicContact CG-CD2 4.26Å; K399-F419 HydrophobicContact CG-CE2 3.46Å; K399-F419 VanDerWaalsContact CG-CE2 3.46Å; K399-F419 HydrophobicContact CG-CZ 4.2Å; W414-F419 HydrophobicContact CB-CD2 4.06Å; W414-F419 HydrophobicContact CB-CE2 3.63Å; W414-F419 WeakPolarHBondContact O-CD2 3.43Å; W414-F419 PolarHBondContact O-N 2.69Å; D415-F419 CarbonylContact O-C 3.58Å; D415-F419 PolarHBondContact O-N 2.87Å; F419-K421 PolarHBondContact O-N 2.99Å; F419-K421 VanDerWaalsContact O-N 3.13Å; F419-I422 HydrophobicContact CD1-CD1 3.99Å; F419-I422 CarbonylContact O-C 3.43Å; F419-I422 WeakPolarHBondContact O-CA 3.39Å; F419-I422 WeakPolarHBondContact O-CB 3.42Å; F419-I422 PolarHBondContact O-N 3.04Å; F419-Q423 HydrophobicContact CB-CG 4.47Å; F419-Q423 WeakPolarHBondContact O-CG 3.49Å; F419-Q423 PolarHBondContact O-N 2.88Å; F419-T451 WeakPolarHBondContact CB-O 3.46Å; F419-T451 HydrophobicContact CD1-CG2 3.73Å; F419-T451 HydrophobicContact CE1-CG2 3.41Å; F419-T451 VanDerWaalsContact CE1-CG2 3.41Å; F419-T451 HydrophobicContact CZ-CG2 4.11Å
420	K	90.4	Very high	89.6	Confident	143 Å²	143	58.6 Å²	58.6	62%	0.622	31%	0.307	S	S	*	.	H	α-helix	trans	-52.5	-40.2	-178.7	-174.3	176	-178.8	-179.3	0	112.9	D415 A424	D415-K420 WeakPolarHBondContact O-CA 3.31Å; D415-K420 VanDerWaalsContact O-CB 3.32Å; D415-K420 WeakPolarHBondContact O-CB 3.44Å; D415-K420 PolarHBondContact O-N 3.48Å; K420-A424 WeakPolarHBondContact O-CB 3.36Å; K420-A424 PolarHBondContact O-N 3.29Å
421	K	87.7	Confident	89.9	Confident	185 Å²	185	57.5 Å²	57.5	80%	0.804	30%	0.297	S	S	*	.	H	α-helix	trans	-67.3	-39.3	177.1	-69.4	-175.5	179.4	-179.4	0	112.1	F419 S425	F419-K421 PolarHBondContact O-N 2.99Å; F419-K421 VanDerWaalsContact O-N 3.13Å; K421-S425 PolarHBondContact O-N 3.17Å
422	I	87.9	Confident	90.2	Very high	18 Å²	18	54.2 Å²	54.2	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-49.3	177.6	-56.9	179	0	0	0	109.6	I379 F419 A424 S425 M452	I379-I422 HydrophobicContact CD1-CD1 4.02Å; I379-I422 HydrophobicContact CD1-CG1 4.25Å; I379-I422 HydrophobicContact CD1-CG2 3.56Å; I379-I422 HydrophobicContact CG1-CD1 4.13Å; I379-I422 HydrophobicContact CG1-CG1 4.16Å; I379-I422 HydrophobicContact CG1-CG2 4.24Å; I379-I422 HydrophobicContact CG2-CD1 3.74Å; I379-I422 HydrophobicContact CG2-CG1 4.45Å; F419-I422 HydrophobicContact CD1-CD1 3.99Å; F419-I422 CarbonylContact O-C 3.43Å; F419-I422 WeakPolarHBondContact O-CA 3.39Å; F419-I422 WeakPolarHBondContact O-CB 3.42Å; F419-I422 PolarHBondContact O-N 3.04Å; I422-A424 PolarHBondContact O-N 3.36Å; I422-S425 VanDerWaalsContact O-CB 3.31Å; I422-S425 WeakPolarHBondContact O-CB 3.36Å; I422-S425 PolarHBondContact O-N 2.97Å; I422-S425 PolarHBondContact O-OG 3.34Å; I422-M452 HydrophobicContact CG2-SD 3.87Å
423	Q	91.8	Very high	90.5	Very high	20 Å²	20	54 Å²	54	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-41.9	178.8	-67.1	166.3	2.7	0	0	111.6	D415 F419 S425 L426 G428 T451	D415-Q423 PolarHBondContact OD1-NE2 2.8Å; F419-Q423 HydrophobicContact CB-CG 4.47Å; F419-Q423 WeakPolarHBondContact O-CG 3.49Å; F419-Q423 PolarHBondContact O-N 2.88Å; Q423-S425 PolarHBondContact O-N 3.35Å; Q423-L426 PolarHBondContact O-N 3.39Å; Q423-G428 VanDerWaalsContact O-CA 3.31Å; Q423-G428 WeakPolarHBondContact O-CA 3.04Å; Q423-G428 PolarHBondContact O-N 2.94Å; Q423-T451 PolarHBondContact NE2-O 2.85Å
424	A	89.8	Confident	90.8	Very high	53 Å²	53	49.5 Å²	49.5	44%	0.438	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-24.7	175.5	0	0	0	0	0	113.4	K420 I422 L426 G427	K420-A424 WeakPolarHBondContact O-CB 3.36Å; K420-A424 PolarHBondContact O-N 3.29Å; I422-A424 PolarHBondContact O-N 3.36Å; A424-L426 PolarHBondContact O-N 3.15Å; A424-G427 PolarHBondContact O-N 3.45Å; A424-G427 VanDerWaalsContact O-N 3.12Å
425	S	85.1	Confident	90.8	Very high	42 Å²	42	47.3 Å²	47.3	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-26.5	176.3	79.8	0	0	0	0	112.9	K421 I422 Q423	K421-S425 PolarHBondContact O-N 3.17Å; I422-S425 VanDerWaalsContact O-CB 3.31Å; I422-S425 WeakPolarHBondContact O-CB 3.36Å; I422-S425 PolarHBondContact O-N 2.97Å; I422-S425 PolarHBondContact O-OG 3.34Å; Q423-S425 PolarHBondContact O-N 3.35Å
426	L	87.3	Confident	90.7	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	27.6	172.4	-63	-176.8	0	0	0	112.7	I357 F365 I375 Q423 A424 G428 L430 M452	I357-L426 HydrophobicContact CD1-CD2 4.28Å; I357-L426 VanDerWaalsContact CG2-C 3.45Å; I357-L426 HydrophobicContact CG2-CB 4.31Å; I357-L426 HydrophobicContact CG2-CD2 4.18Å; F365-L426 HydrophobicContact CD1-CD1 4.27Å; F365-L426 HydrophobicContact CE1-CD1 4.2Å; F365-L426 HydrophobicContact CE1-CD2 4.24Å; I375-L426 HydrophobicContact CD1-CD1 3.94Å; I375-L426 HydrophobicContact CD1-CD2 3.97Å; I375-L426 HydrophobicContact CD1-CG 4.39Å; Q423-L426 PolarHBondContact O-N 3.39Å; A424-L426 PolarHBondContact O-N 3.15Å; L426-G428 VanDerWaalsContact C-N 3.31Å; L426-G428 PolarHBondContact O-N 3.46Å; L426-L430 HydrophobicContact CD1-CD2 4.24Å; L426-M452 HydrophobicContact CB-CE 4.06Å; L426-M452 HydrophobicContact CD1-CE 3.17Å; L426-M452 HydrophobicContact CD1-SD 4.05Å; L426-M452 HydrophobicContact CG-CE 3.92Å
427	G	89.3	Confident	89.9	Confident	9 Å²	9	42.6 Å²	42.6	9%	0.093	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-7.8	175.4	0	0	0	0	0	115.4	K361 A424 N429	K361-G427 WeakPolarHBondContact CG-O 3.49Å; A424-G427 PolarHBondContact O-N 3.45Å; A424-G427 VanDerWaalsContact O-N 3.12Å; G427-N429 PolarHBondContact O-N 3.4Å
428	G	90.8	Very high	89.1	Confident	32 Å²	32	38.7 Å²	38.7	33%	0.33	22%	0.217	S	C	.	.	S	Bend	trans	78.3	-7.1	170.3	0	0	0	0	0	116.4	Q423 L426	Q423-G428 VanDerWaalsContact O-CA 3.31Å; Q423-G428 WeakPolarHBondContact O-CA 3.04Å; Q423-G428 PolarHBondContact O-N 2.94Å; L426-G428 VanDerWaalsContact C-N 3.31Å; L426-G428 PolarHBondContact O-N 3.46Å
429	N	94.5	Very high	88.2	Confident	87 Å²	87	40 Å²	40	47%	0.465	23%	0.227	S	C	.	.			trans	-107.8	5.9	-177.1	-71.7	-11.4	0	0	0	113.7	K361 P362 T363 G427 R431	K361-N429 HydrophobicContact CB-CB 4.38Å; P362-N429 CarbonylContact O-C 3.37Å; T363-N429 HydrophobicContact CG2-CB 4.19Å; G427-N429 PolarHBondContact O-N 3.4Å; N429-R431 PolarHBondContact O-N 2.86Å
430	L	95.1	Very high	87.5	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.063	23%	0.23	C	C	.	.			trans	-61.4	126.8	-173.8	-169.7	63.8	0	0	0	111.5	P362 F365 L426 F432 A433 M452 C454	P362-L430 PolarHBondContact O-N 3.35Å; F365-L430 HydrophobicContact CB-CD1 3.49Å; F365-L430 VanDerWaalsContact CB-CD1 3.49Å; F365-L430 HydrophobicContact CB-CD2 4.49Å; L426-L430 HydrophobicContact CD1-CD2 4.24Å; L430-F432 WeakPolarHBondContact CD1-O 3.3Å; L430-A433 HydrophobicContact CD2-CB 4.42Å; L430-M452 HydrophobicContact CD2-CE 3.84Å; L430-C454 HydrophobicContact CB-CB 4.47Å; L430-C454 HydrophobicContact CD2-CB 4.39Å; L430-C454 VanDerWaalsContact CD2-SG 3.57Å; L430-C454 HydrophobicContact CG-CB 4.06Å; L430-C454 WeakPolarHBondContact O-CB 3.46Å
431	R	95.3	Very high	86.9	Confident	56 Å²	56	34.7 Å²	34.7	21%	0.211	21%	0.206	C	C	.	.			trans	-110.8	-34.4	177.2	-65.4	172.7	54.6	-152.7	-12.8	111.8	F310 V311 R313 D316 T363 N429 C454 I455	F310-R431 HydrophobicContact CE2-CB 4.06Å; F310-R431 HydrophobicContact CZ-CB 4.37Å; V311-R431 PolarHBondContact O-NH2 3.39Å; R313-R431 VanDerWaalsContact CD-NH1 3.3Å; D316-R431 IonicContact OD1-CZ 2.69Å; D316-R431 IonicContact OD1-NE 3.94Å; D316-R431 IonicContact OD1-NH1 3.29Å; D316-R431 PolarHBondContact OD1-NH1 2.87Å; D316-R431 IonicContact OD2-CZ 3.67Å; D316-R431 IonicContact OD2-NH1 3.66Å; D316-R431 PolarHBondContact OD2-NH1 3.39Å; D316-R431 IonicContact OD2-NH2 2.96Å; T363-R431 PolarHBondContact O-N 2.65Å; N429-R431 PolarHBondContact O-N 2.86Å; R431-C454 WeakPolarHBondContact O-CB 3.49Å; R431-I455 PolarHBondContact O-N 3.3Å; R431-I455 VanDerWaalsContact O-N 3.09Å
432	F	95.6	Very high	86.6	Confident	13 Å²	13	28.5 Å²	28.5	6%	0.057	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.5	-176.1	-168.1	-90.2	0	0	0	111.6	L306 F310 T363 L364 F365 L430 L434 I455 C457 F471 I474	L306-F432 HydrophobicContact CD2-CE2 3.99Å; L306-F432 HydrophobicContact CD2-CZ 4.21Å; F310-F432 HydrophobicContact CD1-CD2 4.34Å; F310-F432 HydrophobicContact CD2-CD2 4.28Å; F310-F432 HydrophobicContact CE1-CB 4.22Å; F310-F432 HydrophobicContact CE1-CD2 4.36Å; F310-F432 HydrophobicContact CE1-CG 4.39Å; F310-F432 HydrophobicContact CE2-CB 3.9Å; F310-F432 HydrophobicContact CE2-CD2 4.28Å; F310-F432 HydrophobicContact CG-CD2 4.3Å; F310-F432 HydrophobicContact CZ-CB 3.63Å; F310-F432 HydrophobicContact CZ-CD2 4.33Å; F310-F432 HydrophobicContact CZ-CG 4.24Å; T363-F432 PolarHBondContact O-N 3.03Å; T363-F432 VanDerWaalsContact O-N 3.1Å; L364-F432 CarbonylContact C-O 3.56Å; L364-F432 VanDerWaalsContact CA-O 3.29Å; L364-F432 WeakPolarHBondContact CA-O 3.39Å; L364-F432 HydrophobicContact CD2-CB 4.45Å; L364-F432 HydrophobicContact CD2-CD1 4.36Å; L364-F432 HydrophobicContact CG-CB 4.21Å; F365-F432 PolarHBondContact N-O 3.48Å; L430-F432 WeakPolarHBondContact CD1-O 3.3Å; F432-L434 HydrophobicContact CE1-CB 4Å; F432-I455 CarbonylContact C-O 3.22Å; F432-I455 WeakPolarHBondContact CA-O 3.25Å; F432-I455 HydrophobicContact CD2-CB 3.79Å; F432-I455 HydrophobicContact CD2-CG2 3.66Å; F432-I455 HydrophobicContact CE2-CB 4.24Å; F432-I455 HydrophobicContact CE2-CG2 3.57Å; F432-C457 HydrophobicContact CZ-CB 3.95Å; F432-F471 HydrophobicContact CE1-CZ 4.49Å; F432-F471 HydrophobicContact CZ-CE1 4.26Å; F432-F471 AromaticContact CZ-CZ 3.92Å; F432-F471 HydrophobicContact CZ-CZ 3.92Å; F432-I474 HydrophobicContact CE2-CD1 4.39Å
433	A	95.7	Very high	86.3	Confident	3 Å²	3	31.1 Å²	31.1	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.2	168.8	0	0	0	0	0	109.8	F365 V367 L430 I455 I456 C457	F365-A433 HydrophobicContact CB-CB 4.39Å; F365-A433 VanDerWaalsContact O-CA 3.31Å; F365-A433 WeakPolarHBondContact O-CA 3.43Å; V367-A433 HydrophobicContact CG1-CB 4.49Å; L430-A433 HydrophobicContact CD2-CB 4.42Å; A433-I455 PolarHBondContact N-O 2.96Å; A433-I456 HydrophobicContact CB-CG1 4.28Å; A433-I456 HydrophobicContact CB-CG2 4.37Å; A433-I456 WeakPolarHBondContact O-CA 3.13Å; A433-C457 PolarHBondContact O-N 2.8Å
434	L	94.6	Very high	85.8	Confident	15 Å²	15	30.4 Å²	30.4	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.9	174.1	-180	58.2	0	0	0	109.1	F328 I332 F365 V367 F432 C457 F471	F328-L434 HydrophobicContact CE2-CD2 3.74Å; F328-L434 HydrophobicContact CE2-CG 3.99Å; F328-L434 HydrophobicContact CZ-CD2 4.37Å; F328-L434 HydrophobicContact CZ-CG 4.15Å; I332-L434 HydrophobicContact CD1-CD2 3.56Å; F365-L434 PolarHBondContact O-N 2.77Å; V367-L434 PolarHBondContact N-O 3.4Å; F432-L434 HydrophobicContact CE1-CB 4Å; L434-C457 HydrophobicContact CD1-CB 3.98Å; L434-F471 HydrophobicContact CD1-CD2 4.34Å; L434-F471 HydrophobicContact CD1-CE2 3.52Å; L434-F471 HydrophobicContact CD1-CZ 3.72Å; L434-F471 HydrophobicContact CD2-CE2 3.83Å; L434-F471 HydrophobicContact CD2-CZ 4.35Å; L434-F471 HydrophobicContact CG-CE2 4.35Å
435	T	91.1	Very high	85.8	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.1	171.9	-158.6	0	0	0	0	112.4	V367 P369 L372 I440 C457 E458 G459	V367-T435 WeakPolarHBondContact O-CA 3.18Å; V367-T435 WeakPolarHBondContact O-CB 3.3Å; V367-T435 PolarHBondContact O-OG1 3.45Å; P369-T435 WeakPolarHBondContact CD-OG1 3.36Å; L372-T435 HydrophobicContact CD1-CG2 4.13Å; T435-I440 HydrophobicContact CG2-CG2 4.26Å; T435-C457 PolarHBondContact N-O 3.12Å; T435-E458 HydrophobicContact CG2-CB 4.3Å; T435-E458 HydrophobicContact CG2-CG 4.33Å; T435-E458 CarbonylContact O-C 3.58Å; T435-E458 VanDerWaalsContact O-CA 3.3Å; T435-E458 WeakPolarHBondContact O-CA 3.27Å; T435-G459 PolarHBondContact O-N 3.41Å
436	A	87	Confident	86	Confident	12 Å²	12	27.4 Å²	27.4	10%	0.099	18%	0.175	C	C	.	.			trans	-159.6	-167.1	-176.3	0	0	0	0	0	109.9	F328 P369 A438 G459	F328-A436 HydrophobicContact CD1-CB 4.47Å; F328-A436 HydrophobicContact CD2-CB 4.33Å; F328-A436 HydrophobicContact CE1-CB 4.02Å; F328-A436 HydrophobicContact CE2-CB 3.88Å; F328-A436 HydrophobicContact CZ-CB 3.71Å; P369-A436 VanDerWaalsContact CD-O 3.31Å; P369-A436 WeakPolarHBondContact CD-O 3.12Å; A436-A438 PolarHBondContact O-N 2.8Å; A436-G459 WeakPolarHBondContact CA-O 3.49Å; A436-G459 VanDerWaalsContact CB-O 3.25Å; A436-G459 WeakPolarHBondContact CB-O 3.49Å
437	S	71.6	Confident	86.3	Confident	37 Å²	37	27.8 Å²	27.8	26%	0.259	18%	0.176	S	C	.	.	S	Bend	trans	70.1	-32.3	-179.8	-55.4	0	0	0	0	115.1	K677	S437-K677 WeakPolarHBondContact O-CE 3.2Å; S437-K677 PolarHBondContact O-NZ 3.48Å
438	A	70.2	Confident	86.4	Confident	39 Å²	39	27.4 Å²	27.4	32%	0.322	17%	0.172	S	C	.	.	S	Bend	trans	-142.1	160.5	178.3	0	0	0	0	0	110.4	P369 A436	P369-A438 HydrophobicContact CG-CB 3.88Å; P369-A438 WeakPolarHBondContact CG-O 3.31Å; A436-A438 PolarHBondContact O-N 2.8Å
439	P	69.8	Low	86.5	Confident	59 Å²	59	26.8 Å²	26.8	38%	0.383	16%	0.16	S	C	.	.			trans	-66.3	146.8	173	27.7	-37.1	0	0	0	112.1	P369 N577	P369-P439 WeakPolarHBondContact CB-O 3.41Å; P439-N577 WeakPolarHBondContact CG-ND2 3.3Å
440	I	76.6	Confident	86.4	Confident	15 Å²	15	22.7 Å²	22.7	8%	0.077	14%	0.138	C	C	.	.			trans	-120.8	145.8	170.2	-171.8	163.8	0	0	0	110.1	P369 L372 T435 V444 L445	P369-I440 HydrophobicContact CB-CB 4Å; P369-I440 HydrophobicContact CB-CG1 4.37Å; P369-I440 HydrophobicContact CG-CB 4.16Å; L372-I440 HydrophobicContact CB-CD1 3.9Å; L372-I440 HydrophobicContact CD1-CD1 3.55Å; L372-I440 HydrophobicContact CG-CD1 4.37Å; T435-I440 HydrophobicContact CG2-CG2 4.26Å; I440-V444 HydrophobicContact CD1-CG1 4.11Å; I440-V444 HydrophobicContact CG1-CB 4.38Å; I440-V444 HydrophobicContact CG1-CG1 4.32Å; I440-L445 HydrophobicContact CD1-CB 4.33Å; I440-L445 HydrophobicContact CG1-CB 4.38Å; I440-L445 HydrophobicContact CG2-CB 4.21Å; I440-L445 HydrophobicContact CG2-CD2 4.12Å
441	S	77.4	Confident	86.3	Confident	15 Å²	15	22.1 Å²	22.1	11%	0.105	14%	0.135	C	C	.	.			trans	-72.5	146.3	178	77.6	0	0	0	0	112.2	T443 V444 L445	S441-T443 VanDerWaalsContact C-N 3.26Å; S441-T443 PolarHBondContact O-N 3.03Å; S441-V444 PolarHBondContact O-N 2.88Å; S441-V444 WeakPolarHBondContact OG-CB 3.41Å; S441-V444 WeakPolarHBondContact OG-CG2 3.25Å; S441-V444 PolarHBondContact OG-N 3.04Å; S441-L445 WeakPolarHBondContact O-CB 3.46Å; S441-L445 PolarHBondContact O-N 2.98Å
442	C	82	Confident	86	Confident	56 Å²	56	19.9 Å²	19.9	38%	0.378	13%	0.127	S	C	.	.	H	α-helix	trans	-54.8	-42.5	176.4	-64.8	0	0	0	0	112.2	S446 T479 G480	C442-S446 WeakPolarHBondContact O-CB 3.21Å; C442-S446 PolarHBondContact O-N 2.92Å; C442-T479 VanDerWaalsContact CB-OG1 3.26Å; C442-T479 WeakPolarHBondContact CB-OG1 3.29Å; C442-T479 PolarHBondContact SG-OG1 3.28Å; C442-G480 WeakPolarHBondContact SG-CA 3.21Å; C442-G480 PolarHBondContact SG-N 2.84Å; C442-G480 VanDerWaalsContact SG-N 3.4Å
443	T	81.1	Confident	85.6	Confident	72 Å²	72	19.6 Å²	19.6	44%	0.442	13%	0.128	S	C	.	.	H	α-helix	trans	-61.4	-49.6	179.8	-52.9	0	0	0	0	111.6	S441 F447	S441-T443 VanDerWaalsContact C-N 3.26Å; S441-T443 PolarHBondContact O-N 3.03Å; T443-F447 VanDerWaalsContact O-CB 3.28Å; T443-F447 WeakPolarHBondContact O-CB 3.22Å; T443-F447 PolarHBondContact O-N 3.18Å
444	V	83.2	Confident	85.5	Confident	5 Å²	5	19.6 Å²	19.6	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-46.5	-178.8	174.4	0	0	0	0	110.4	N373 Y376 I440 S441 S446 F447 L448	N373-V444 WeakPolarHBondContact OD1-CG1 3.49Å; Y376-V444 HydrophobicContact CD1-CG2 3.86Å; Y376-V444 HydrophobicContact CD2-CG1 4.44Å; Y376-V444 HydrophobicContact CD2-CG2 4.23Å; Y376-V444 HydrophobicContact CE1-CG2 4.09Å; Y376-V444 HydrophobicContact CE2-CG2 4.45Å; Y376-V444 HydrophobicContact CG-CG1 4.2Å; Y376-V444 HydrophobicContact CG-CG2 3.94Å; I440-V444 HydrophobicContact CD1-CG1 4.11Å; I440-V444 HydrophobicContact CG1-CB 4.38Å; I440-V444 HydrophobicContact CG1-CG1 4.32Å; S441-V444 PolarHBondContact O-N 2.88Å; S441-V444 WeakPolarHBondContact OG-CB 3.41Å; S441-V444 WeakPolarHBondContact OG-CG2 3.25Å; S441-V444 PolarHBondContact OG-N 3.04Å; V444-S446 PolarHBondContact O-N 2.82Å; V444-F447 PolarHBondContact O-N 2.94Å; V444-L448 HydrophobicContact CG1-CD1 3.55Å; V444-L448 HydrophobicContact CG1-CG 4.27Å; V444-L448 WeakPolarHBondContact O-CB 3.26Å; V444-L448 VanDerWaalsContact O-CG 3.27Å; V444-L448 WeakPolarHBondContact O-CG 3.17Å; V444-L448 PolarHBondContact O-N 3.14Å
445	L	88	Confident	85.4	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-45	179.1	-178.8	58.6	0	0	0	111.9	I440 S441 L448 R449 I456 T479	I440-L445 HydrophobicContact CD1-CB 4.33Å; I440-L445 HydrophobicContact CG1-CB 4.38Å; I440-L445 HydrophobicContact CG2-CB 4.21Å; I440-L445 HydrophobicContact CG2-CD2 4.12Å; S441-L445 WeakPolarHBondContact O-CB 3.46Å; S441-L445 PolarHBondContact O-N 2.98Å; L445-L448 PolarHBondContact O-N 2.8Å; L445-R449 HydrophobicContact CD1-CG 4.27Å; L445-R449 WeakPolarHBondContact O-CB 3.41Å; L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.29Å; L445-I456 HydrophobicContact CD1-CB 4.46Å; L445-I456 HydrophobicContact CD1-CG2 3.81Å; L445-T479 HydrophobicContact CB-CG2 4.4Å; L445-T479 HydrophobicContact CD2-CG2 4.01Å; L445-T479 HydrophobicContact CG-CG2 4.18Å
446	S	91.1	Very high	85.6	Confident	32 Å²	32	20.2 Å²	20.2	22%	0.224	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-43.1	177.4	-174.7	0	0	0	0	112	Q400 C442 V444 A450	Q400-S446 PolarHBondContact NE2-OG 2.84Å; C442-S446 WeakPolarHBondContact O-CB 3.21Å; C442-S446 PolarHBondContact O-N 2.92Å; V444-S446 PolarHBondContact O-N 2.82Å; S446-A450 WeakPolarHBondContact O-CB 3.42Å; S446-A450 PolarHBondContact O-N 2.98Å
447	F	91.7	Very high	85.9	Confident	12 Å²	12	19.8 Å²	19.8	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-47.2	175.6	177.8	-85.9	0	0	0	111.8	Y376 I379 L392 V396 T443 V444 A450 T451	Y376-F447 HydrophobicContact CD2-CB 3.97Å; Y376-F447 AromaticContact CD2-CD1 3.41Å; Y376-F447 HydrophobicContact CD2-CD1 3.41Å; Y376-F447 VanDerWaalsContact CD2-CD1 3.41Å; Y376-F447 HydrophobicContact CD2-CD2 4.33Å; Y376-F447 AromaticContact CD2-CE1 3.88Å; Y376-F447 HydrophobicContact CD2-CE1 3.88Å; Y376-F447 AromaticContact CD2-CG 3.65Å; Y376-F447 HydrophobicContact CD2-CG 3.65Å; Y376-F447 HydrophobicContact CE2-CB 3.8Å; Y376-F447 AromaticContact CE2-CD1 3.87Å; Y376-F447 HydrophobicContact CE2-CD1 3.87Å; Y376-F447 AromaticContact CE2-CD2 3.95Å; Y376-F447 HydrophobicContact CE2-CD2 3.95Å; Y376-F447 HydrophobicContact CE2-CE1 4.4Å; Y376-F447 HydrophobicContact CE2-CE2 4.47Å; Y376-F447 AromaticContact CE2-CG 3.6Å; Y376-F447 HydrophobicContact CE2-CG 3.6Å; I379-F447 HydrophobicContact CD1-CE1 3.95Å; I379-F447 HydrophobicContact CG2-CE1 4.28Å; I379-F447 HydrophobicContact CG2-CZ 3.85Å; L392-F447 HydrophobicContact CD2-CE2 4.13Å; L392-F447 HydrophobicContact CD2-CZ 4.19Å; L392-F447 HydrophobicContact CG-CE2 4.44Å; V396-F447 HydrophobicContact CG1-CD2 4.21Å; V396-F447 HydrophobicContact CG2-CD2 3.95Å; V396-F447 HydrophobicContact CG2-CE2 3.73Å; T443-F447 VanDerWaalsContact O-CB 3.28Å; T443-F447 WeakPolarHBondContact O-CB 3.22Å; T443-F447 PolarHBondContact O-N 3.18Å; V444-F447 PolarHBondContact O-N 2.94Å; F447-A450 WeakPolarHBondContact O-CB 3.33Å; F447-A450 PolarHBondContact O-N 2.93Å; F447-T451 HydrophobicContact CD1-CG2 4.04Å; F447-T451 HydrophobicContact CD2-CG2 4.33Å; F447-T451 HydrophobicContact CE1-CG2 3.69Å; F447-T451 HydrophobicContact CE2-CG2 4Å; F447-T451 HydrophobicContact CG-CG2 4.36Å; F447-T451 HydrophobicContact CZ-CG2 3.67Å; F447-T451 WeakPolarHBondContact O-CG2 3.41Å; F447-T451 PolarHBondContact O-N 2.77Å; F447-T451 PolarHBondContact O-OG1 3.25Å
448	L	92.1	Very high	86.9	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-40.9	-177.4	-69.4	167.4	0	0	0	111.9	L372 I375 V444 L445 A450 T451 M452 I456	L372-L448 HydrophobicContact CB-CD1 3.57Å; L372-L448 HydrophobicContact CD1-CD1 4.19Å; L372-L448 HydrophobicContact CD2-CD1 4.01Å; L372-L448 HydrophobicContact CG-CD1 4.11Å; I375-L448 HydrophobicContact CG2-CD2 4.07Å; V444-L448 HydrophobicContact CG1-CD1 3.55Å; V444-L448 HydrophobicContact CG1-CG 4.27Å; V444-L448 WeakPolarHBondContact O-CB 3.26Å; V444-L448 VanDerWaalsContact O-CG 3.27Å; V444-L448 WeakPolarHBondContact O-CG 3.17Å; V444-L448 PolarHBondContact O-N 3.14Å; L445-L448 PolarHBondContact O-N 2.8Å; L448-A450 PolarHBondContact O-N 3.47Å; L448-T451 PolarHBondContact O-N 2.81Å; L448-M452 HydrophobicContact CB-CG 4.35Å; L448-M452 HydrophobicContact CD2-CG 4.31Å; L448-M452 WeakPolarHBondContact O-CB 3.48Å; L448-M452 WeakPolarHBondContact O-CG 3.32Å; L448-M452 PolarHBondContact O-N 2.78Å; L448-I456 HydrophobicContact CB-CD1 3.89Å
449	R	93.1	Very high	88	Confident	20 Å²	20	17.3 Å²	17.3	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-55.5	-38	172.3	-78.3	175.3	170.8	168.4	-1.7	111.5	L403 L445 I456 S478	L403-R449 HydrophobicContact CD1-CB 3.74Å; L445-R449 HydrophobicContact CD1-CG 4.27Å; L445-R449 WeakPolarHBondContact O-CB 3.41Å; L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.29Å; R449-I456 HydrophobicContact CG-CB 3.81Å; R449-I456 HydrophobicContact CG-CD1 4.27Å; R449-I456 HydrophobicContact CG-CG1 4.2Å; R449-I456 PolarHBondContact NE-O 3.03Å; R449-I456 PolarHBondContact NH2-O 2.97Å; R449-S478 PolarHBondContact NH1-O 3.14Å
450	A	92.5	Very high	89.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-75.1	-38.6	-179.7	0	0	0	0	0	113.5	V396 K399 Q400 L403 S446 F447 L448	V396-A450 HydrophobicContact CG1-CB 4.14Å; K399-A450 HydrophobicContact CB-CB 3.85Å; K399-A450 WeakPolarHBondContact CB-O 3.49Å; K399-A450 WeakPolarHBondContact CE-O 2.94Å; K399-A450 WeakPolarHBondContact CG-O 3.48Å; Q400-A450 HydrophobicContact CG-CB 3.83Å; L403-A450 HydrophobicContact CD1-CB 4.17Å; S446-A450 WeakPolarHBondContact O-CB 3.42Å; S446-A450 PolarHBondContact O-N 2.98Å; F447-A450 WeakPolarHBondContact O-CB 3.33Å; F447-A450 PolarHBondContact O-N 2.93Å; L448-A450 PolarHBondContact O-N 3.47Å
451	T	92	Very high	89.9	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-91.5	-30.8	-171.9	56.2	0	0	0	0	114	V396 F419 Q423 F447 L448 G453	V396-T451 HydrophobicContact CG2-CG2 3.72Å; F419-T451 WeakPolarHBondContact CB-O 3.46Å; F419-T451 HydrophobicContact CD1-CG2 3.73Å; F419-T451 HydrophobicContact CE1-CG2 3.41Å; F419-T451 VanDerWaalsContact CE1-CG2 3.41Å; F419-T451 HydrophobicContact CZ-CG2 4.11Å; Q423-T451 PolarHBondContact NE2-O 2.85Å; F447-T451 HydrophobicContact CD1-CG2 4.04Å; F447-T451 HydrophobicContact CD2-CG2 4.33Å; F447-T451 HydrophobicContact CE1-CG2 3.69Å; F447-T451 HydrophobicContact CE2-CG2 4Å; F447-T451 HydrophobicContact CG-CG2 4.36Å; F447-T451 HydrophobicContact CZ-CG2 3.67Å; F447-T451 WeakPolarHBondContact O-CG2 3.41Å; F447-T451 PolarHBondContact O-N 2.77Å; F447-T451 PolarHBondContact O-OG1 3.25Å; L448-T451 PolarHBondContact O-N 2.81Å; T451-G453 PolarHBondContact O-N 2.79Å
452	M	90.2	Very high	90.6	Very high	9 Å²	9	17.1 Å²	17.1	4%	0.044	11%	0.105	C	C	.	.	H	α-helix	trans	-78.2	-19.7	-174.7	-66.8	-57.1	-50.9	0	0	113.7	I422 L426 L430 L448 C454 I456	I422-M452 HydrophobicContact CG2-SD 3.87Å; L426-M452 HydrophobicContact CB-CE 4.06Å; L426-M452 HydrophobicContact CD1-CE 3.17Å; L426-M452 HydrophobicContact CD1-SD 4.05Å; L426-M452 HydrophobicContact CG-CE 3.92Å; L430-M452 HydrophobicContact CD2-CE 3.84Å; L448-M452 HydrophobicContact CB-CG 4.35Å; L448-M452 HydrophobicContact CD2-CG 4.31Å; L448-M452 WeakPolarHBondContact O-CB 3.48Å; L448-M452 WeakPolarHBondContact O-CG 3.32Å; L448-M452 PolarHBondContact O-N 2.78Å; M452-C454 PolarHBondContact O-N 2.91Å; M452-I456 HydrophobicContact CB-CD1 4.21Å; M452-I456 HydrophobicContact CG-CD1 4.17Å
453	G	87.3	Confident	91.1	Very high	7 Å²	7	15.5 Å²	15.5	7%	0.072	9%	0.093	C	C	.	.			trans	66.4	14.9	178.5	0	0	0	0	0	114.6	R409 T451	R409-G453 CarbonylContact C-O 3.58Å; R409-G453 VanDerWaalsContact O-CA 3.25Å; R409-G453 WeakPolarHBondContact O-CA 3.49Å; T451-G453 PolarHBondContact O-N 2.79Å
454	C	92.8	Very high	91.9	Very high	4 Å²	4	12.9 Å²	12.9	3%	0.027	8%	0.076	C	C	.	.	S	Bend	trans	-122.9	166.5	180	67.2	0	0	0	0	111.2	L430 R431 M452 I456	L430-C454 HydrophobicContact CB-CB 4.47Å; L430-C454 HydrophobicContact CD2-CB 4.39Å; L430-C454 VanDerWaalsContact CD2-SG 3.57Å; L430-C454 HydrophobicContact CG-CB 4.06Å; L430-C454 WeakPolarHBondContact O-CB 3.46Å; R431-C454 WeakPolarHBondContact O-CB 3.49Å; M452-C454 PolarHBondContact O-N 2.91Å; C454-I456 PolarHBondContact O-N 2.65Å
455	I	93.8	Very high	92.5	Very high	21 Å²	21	12.6 Å²	12.6	11%	0.108	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129	171.5	-62.5	170.8	0	0	0	108.3	F310 V408 R431 F432 A433 I474	F310-I455 HydrophobicContact CB-CD1 4.35Å; F310-I455 HydrophobicContact CD2-CD1 3.83Å; F310-I455 HydrophobicContact CG-CD1 4.46Å; V408-I455 HydrophobicContact CG1-CG1 4.07Å; R431-I455 PolarHBondContact O-N 3.3Å; R431-I455 VanDerWaalsContact O-N 3.09Å; F432-I455 CarbonylContact C-O 3.22Å; F432-I455 WeakPolarHBondContact CA-O 3.25Å; F432-I455 HydrophobicContact CD2-CB 3.79Å; F432-I455 HydrophobicContact CD2-CG2 3.66Å; F432-I455 HydrophobicContact CE2-CB 4.24Å; F432-I455 HydrophobicContact CE2-CG2 3.57Å; A433-I455 PolarHBondContact N-O 2.96Å; I455-I474 HydrophobicContact CD1-CD1 4.16Å; I455-I474 HydrophobicContact CD1-CG2 3.92Å; I455-I474 HydrophobicContact CG1-CG2 4.48Å; I455-I474 HydrophobicContact CG2-CD1 4.41Å; I455-I474 HydrophobicContact CG2-CG1 4.04Å; I455-I474 HydrophobicContact CG2-CG2 4.43Å
456	I	94.4	Very high	92.9	Very high	8 Å²	8	12.6 Å²	12.6	4%	0.041	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.8	173.3	-48.6	-175.1	0	0	0	108.9	A433 L445 L448 R449 M452 C454	A433-I456 HydrophobicContact CB-CG1 4.28Å; A433-I456 HydrophobicContact CB-CG2 4.37Å; A433-I456 WeakPolarHBondContact O-CA 3.13Å; L445-I456 HydrophobicContact CD1-CB 4.46Å; L445-I456 HydrophobicContact CD1-CG2 3.81Å; L448-I456 HydrophobicContact CB-CD1 3.89Å; R449-I456 HydrophobicContact CG-CB 3.81Å; R449-I456 HydrophobicContact CG-CD1 4.27Å; R449-I456 HydrophobicContact CG-CG1 4.2Å; R449-I456 PolarHBondContact NE-O 3.03Å; R449-I456 PolarHBondContact NH2-O 2.97Å; M452-I456 HydrophobicContact CB-CD1 4.21Å; M452-I456 HydrophobicContact CG-CD1 4.17Å; C454-I456 PolarHBondContact O-N 2.65Å
457	C	94.3	Very high	92.8	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.014	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.5	176.4	-70.6	0	0	0	0	110.9	F432 A433 L434 T435 F471 S472	F432-C457 HydrophobicContact CZ-CB 3.95Å; A433-C457 PolarHBondContact O-N 2.8Å; L434-C457 HydrophobicContact CD1-CB 3.98Å; T435-C457 PolarHBondContact N-O 3.12Å; C457-F471 HydrophobicContact CB-CD1 4.29Å; C457-F471 HydrophobicContact CB-CE1 3.54Å; C457-F471 HydrophobicContact CB-CZ 3.85Å; C457-S472 VanDerWaalsContact CA-OG 3.23Å; C457-S472 WeakPolarHBondContact CA-OG 3.44Å; C457-S472 WeakPolarHBondContact CB-OG 3.43Å; C457-S472 PolarHBondContact SG-O 2.9Å; C457-S472 VanDerWaalsContact SG-O 3.39Å
458	E	92.5	Very high	92.9	Very high	14 Å²	14	12.4 Å²	12.4	7%	0.065	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.5	169.9	-172.8	169.2	-172.2	0	0	108.8	T435 S472 V482	T435-E458 HydrophobicContact CG2-CB 4.3Å; T435-E458 HydrophobicContact CG2-CG 4.33Å; T435-E458 CarbonylContact O-C 3.58Å; T435-E458 VanDerWaalsContact O-CA 3.3Å; T435-E458 WeakPolarHBondContact O-CA 3.27Å; E458-S472 PolarHBondContact N-OG 3.38Å; E458-S472 PolarHBondContact O-N 3.05Å; E458-S472 PolarHBondContact O-OG 3.36Å; E458-V482 HydrophobicContact CG-CG1 4.26Å
459	G	92.1	Very high	93	Very high	10 Å²	10	12.3 Å²	12.3	10%	0.103	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.4	177.7	0	0	0	0	0	111.8	T435 A436 T470	T435-G459 PolarHBondContact O-N 3.41Å; A436-G459 WeakPolarHBondContact CA-O 3.49Å; A436-G459 VanDerWaalsContact CB-O 3.25Å; A436-G459 WeakPolarHBondContact CB-O 3.49Å; G459-T470 WeakPolarHBondContact CA-O 3.15Å
460	Y	94.6	Very high	93.2	Very high	22 Å²	22	11.4 Å²	11.4	9%	0.086	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145	173.3	162.2	-97.9	0	0	0	110.5	C469 T470 V482 I510 T540 D542 I554	Y460-C469 HydrophobicContact CD1-CB 4.21Å; Y460-C469 HydrophobicContact CE1-CB 4.4Å; Y460-C469 WeakPolarHBondContact O-CA 3.32Å; Y460-C469 WeakPolarHBondContact O-CB 3.5Å; Y460-C469 PolarHBondContact O-N 3.37Å; Y460-T470 WeakPolarHBondContact CB-OG1 2.81Å; Y460-T470 HydrophobicContact CD1-CG2 4.46Å; Y460-T470 PolarHBondContact N-O 3.28Å; Y460-T470 VanDerWaalsContact N-O 3.12Å; Y460-T470 PolarHBondContact O-N 3.34Å; Y460-V482 HydrophobicContact CG-CG2 4.21Å; Y460-I510 HydrophobicContact CE1-CD1 4.31Å; Y460-I510 HydrophobicContact CE1-CG2 4.36Å; Y460-T540 PolarHBondContact OH-OG1 3.38Å; Y460-D542 HydrophobicContact CE2-CB 4.38Å; Y460-D542 VanDerWaalsContact CE2-OD2 3.24Å; Y460-D542 WeakPolarHBondContact CE2-OD2 3.41Å; Y460-D542 WeakPolarHBondContact OH-CB 3.24Å; Y460-D542 PolarHBondContact OH-OD2 3.36Å; Y460-I554 HydrophobicContact CD1-CD1 4.08Å; Y460-I554 HydrophobicContact CD2-CD1 3.78Å; Y460-I554 HydrophobicContact CD2-CG1 3.97Å; Y460-I554 HydrophobicContact CE1-CD1 4.14Å; Y460-I554 HydrophobicContact CE2-CD1 3.84Å; Y460-I554 HydrophobicContact CE2-CG1 4.32Å; Y460-I554 HydrophobicContact CG-CD1 3.91Å; Y460-I554 HydrophobicContact CG-CG1 4.3Å
461	G	92.3	Very high	93.4	Very high	23 Å²	23	11.9 Å²	11.9	24%	0.237	8%	0.079	C	C	.	.			trans	168	-176.6	173.5	0	0	0	0	0	111	G467	G461-G467 CarbonylContact C-O 3.59Å; G461-G467 VanDerWaalsContact CA-O 3.22Å; G461-G467 WeakPolarHBondContact CA-O 3.33Å
462	Q	92.2	Very high	93.5	Very high	40 Å²	40	11.9 Å²	11.9	19%	0.187	8%	0.079	C	C	.	.			trans	-145.2	169.6	-177.6	57.3	177.5	-5.8	0	0	110.5	E464 C465 T466 G467	Q462-E464 HydrophobicContact CG-CB 4.25Å; Q462-E464 PolarHBondContact O-N 3.42Å; Q462-C465 PolarHBondContact N-SG 2.81Å; Q462-C465 CarbonylContact O-C 3.59Å; Q462-C465 PolarHBondContact O-N 2.99Å; Q462-C465 VanDerWaalsContact O-N 3.12Å; Q462-C465 PolarHBondContact O-SG 2.89Å; Q462-T466 PolarHBondContact O-N 3.04Å; Q462-G467 WeakPolarHBondContact O-CA 3Å; Q462-G467 PolarHBondContact O-N 3.38Å
463	T	92.8	Very high	93.7	Very high	23 Å²	23	11.6 Å²	11.6	14%	0.141	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-56.1	-42	179.6	-58.8	0	0	0	0	111.3	C276 T278 A288 I290 M327 C465 T466	C276-T463 HydrophobicContact CB-CG2 3.5Å; C276-T463 VanDerWaalsContact CB-CG2 3.5Å; T278-T463 HydrophobicContact CG2-CG2 3.95Å; A288-T463 HydrophobicContact CB-CG2 3.69Å; I290-T463 VanDerWaalsContact CD1-O 3.28Å; I290-T463 WeakPolarHBondContact CD1-O 3.09Å; M327-T463 HydrophobicContact CG-CG2 4.07Å; T463-C465 PolarHBondContact O-N 3.05Å; T463-C465 VanDerWaalsContact O-N 3.15Å; T463-T466 PolarHBondContact O-N 3.21Å
464	E	96.3	Very high	93.9	Very high	16 Å²	16	11.4 Å²	11.4	8%	0.075	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-64.8	-15.5	-178.4	-67.4	83.6	169.8	0	0	113.7	Q462 F518 Y521 L538	Q462-E464 HydrophobicContact CG-CB 4.25Å; Q462-E464 PolarHBondContact O-N 3.42Å; E464-F518 HydrophobicContact CB-CD1 4.08Å; E464-F518 HydrophobicContact CB-CD2 4.09Å; E464-F518 HydrophobicContact CB-CE1 4.05Å; E464-F518 HydrophobicContact CB-CE2 4.07Å; E464-F518 HydrophobicContact CB-CG 4.11Å; E464-F518 HydrophobicContact CB-CZ 4.06Å; E464-F518 HydrophobicContact CG-CD2 3.87Å; E464-F518 HydrophobicContact CG-CE1 4.23Å; E464-F518 HydrophobicContact CG-CE2 3.5Å; E464-F518 HydrophobicContact CG-CG 4.39Å; E464-F518 HydrophobicContact CG-CZ 3.71Å; E464-F518 WeakPolarHBondContact O-CB 3.37Å; E464-F518 VanDerWaalsContact O-CD1 3.31Å; E464-F518 WeakPolarHBondContact O-CD1 3.35Å; E464-F518 WeakPolarHBondContact O-CG 3.33Å; E464-F518 PolarHBondContact O-N 3.23Å; E464-Y521 HydrophobicContact CG-CE1 4.11Å; E464-Y521 WeakPolarHBondContact CG-OH 3.08Å; E464-Y521 WeakPolarHBondContact OE1-CE1 3.12Å; E464-Y521 PolarHBondContact OE1-OH 3.01Å; E464-L538 HydrophobicContact CB-CD1 3.83Å; E464-L538 HydrophobicContact CB-CD2 3.71Å; E464-L538 HydrophobicContact CB-CG 4.42Å; E464-L538 HydrophobicContact CG-CD1 4.5Å; E464-L538 WeakPolarHBondContact O-CD2 3.42Å
465	C	95.8	Very high	93.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-114.6	23.8	170.7	75.7	0	0	0	0	112.8	Q462 T463 G467 I512 S516 L538	Q462-C465 PolarHBondContact N-SG 2.81Å; Q462-C465 CarbonylContact O-C 3.59Å; Q462-C465 PolarHBondContact O-N 2.99Å; Q462-C465 VanDerWaalsContact O-N 3.12Å; Q462-C465 PolarHBondContact O-SG 2.89Å; T463-C465 PolarHBondContact O-N 3.05Å; T463-C465 VanDerWaalsContact O-N 3.15Å; C465-G467 VanDerWaalsContact C-N 3.33Å; C465-G467 PolarHBondContact O-N 3.2Å; C465-I512 HydrophobicContact CB-CD1 3.99Å; C465-S516 CarbonylContact C-O 3.51Å; C465-S516 WeakPolarHBondContact CA-O 3.35Å; C465-L538 HydrophobicContact CB-CD2 3.87Å
466	T	96.8	Very high	93.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	37.8	177	-48	0	0	0	0	113	I290 N294 I295 N298 M327 M331 Q462 T463 G468 S516	I290-T466 HydrophobicContact CG2-CG2 3.78Å; N294-T466 HydrophobicContact CB-CG2 4.21Å; N294-T466 WeakPolarHBondContact CB-OG1 2.96Å; I295-T466 HydrophobicContact CB-CG2 4.37Å; I295-T466 HydrophobicContact CG1-CG2 3.69Å; N298-T466 HydrophobicContact CB-CG2 4.34Å; M327-T466 HydrophobicContact CE-CG2 3.8Å; M331-T466 WeakPolarHBondContact CG-O 3.49Å; M331-T466 HydrophobicContact SD-CG2 3.93Å; Q462-T466 PolarHBondContact O-N 3.04Å; T463-T466 PolarHBondContact O-N 3.21Å; T466-G468 PolarHBondContact O-N 2.93Å; T466-S516 WeakPolarHBondContact CB-O 3.31Å; T466-S516 PolarHBondContact N-O 3.22Å; T466-S516 PolarHBondContact OG1-O 2.81Å
467	G	90.6	Very high	93.5	Very high	23 Å²	23	13.6 Å²	13.6	24%	0.237	9%	0.094	C	C	.	.	S	Bend	trans	90.7	-51.1	172	0	0	0	0	0	114.5	G461 Q462 C465	G461-G467 CarbonylContact C-O 3.59Å; G461-G467 VanDerWaalsContact CA-O 3.22Å; G461-G467 WeakPolarHBondContact CA-O 3.33Å; Q462-G467 WeakPolarHBondContact O-CA 3Å; Q462-G467 PolarHBondContact O-N 3.38Å; C465-G467 VanDerWaalsContact C-N 3.33Å; C465-G467 PolarHBondContact O-N 3.2Å
468	G	92.3	Very high	93.3	Very high	17 Å²	17	15.7 Å²	15.7	18%	0.175	11%	0.109	C	C	.	.			trans	-112.1	141.5	-177.1	0	0	0	0	0	113.7	N298 T466 L486	N298-G468 PolarHBondContact ND2-O 3.5Å; T466-G468 PolarHBondContact O-N 2.93Å; G468-L486 WeakPolarHBondContact O-CD1 3.27Å
469	C	95.7	Very high	93.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-132.8	-44.7	174.7	171.7	0	0	0	0	111.4	Y460 L486 V491 I512	Y460-C469 HydrophobicContact CD1-CB 4.21Å; Y460-C469 HydrophobicContact CE1-CB 4.4Å; Y460-C469 WeakPolarHBondContact O-CA 3.32Å; Y460-C469 WeakPolarHBondContact O-CB 3.5Å; Y460-C469 PolarHBondContact O-N 3.37Å; C469-L486 WeakPolarHBondContact O-CB 3.48Å; C469-L486 WeakPolarHBondContact O-CG 2.94Å; C469-L486 PolarHBondContact O-N 3.11Å; C469-V491 VanDerWaalsContact SG-CG2 3.55Å; C469-I512 HydrophobicContact CB-CD1 3.77Å; C469-I512 WeakPolarHBondContact SG-CD1 3.42Å; C469-I512 VanDerWaalsContact SG-CG1 3.59Å
470	T	97.3	Very high	92.9	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.1	173.9	70.1	0	0	0	0	110.9	G459 Y460 V482 A484 L552	G459-T470 WeakPolarHBondContact CA-O 3.15Å; Y460-T470 WeakPolarHBondContact CB-OG1 2.81Å; Y460-T470 HydrophobicContact CD1-CG2 4.46Å; Y460-T470 PolarHBondContact N-O 3.28Å; Y460-T470 VanDerWaalsContact N-O 3.12Å; Y460-T470 PolarHBondContact O-N 3.34Å; T470-V482 CarbonylContact C-O 3.58Å; T470-V482 WeakPolarHBondContact CB-O 3.28Å; T470-V482 VanDerWaalsContact OG1-CG2 3.28Å; T470-V482 WeakPolarHBondContact OG1-CG2 3.28Å; T470-V482 PolarHBondContact OG1-O 2.93Å; T470-A484 CarbonylContact C-O 3.41Å; T470-A484 WeakPolarHBondContact CA-O 3.43Å; T470-A484 VanDerWaalsContact CB-O 3.27Å; T470-A484 WeakPolarHBondContact CB-O 3.27Å; T470-L552 HydrophobicContact CG2-CB 4.37Å; T470-L552 HydrophobicContact CG2-CD2 3.93Å
471	F	95.8	Very high	92.8	Very high	10 Å²	10	16.7 Å²	16.7	4%	0.044	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	130.8	-176.2	-155.5	-85.8	0	0	0	110.9	I305 F432 L434 C457 L473 V482 G483 A484 L486	I305-F471 HydrophobicContact CD1-CB 3.76Å; I305-F471 HydrophobicContact CD1-CG 4.35Å; I305-F471 HydrophobicContact CG2-CD1 3.9Å; I305-F471 HydrophobicContact CG2-CE1 4.37Å; F432-F471 HydrophobicContact CE1-CZ 4.49Å; F432-F471 HydrophobicContact CZ-CE1 4.26Å; F432-F471 AromaticContact CZ-CZ 3.92Å; F432-F471 HydrophobicContact CZ-CZ 3.92Å; L434-F471 HydrophobicContact CD1-CD2 4.34Å; L434-F471 HydrophobicContact CD1-CE2 3.52Å; L434-F471 HydrophobicContact CD1-CZ 3.72Å; L434-F471 HydrophobicContact CD2-CE2 3.83Å; L434-F471 HydrophobicContact CD2-CZ 4.35Å; L434-F471 HydrophobicContact CG-CE2 4.35Å; C457-F471 HydrophobicContact CB-CD1 4.29Å; C457-F471 HydrophobicContact CB-CE1 3.54Å; C457-F471 HydrophobicContact CB-CZ 3.85Å; F471-L473 PolarHBondContact O-N 2.83Å; F471-V482 PolarHBondContact N-O 3.24Å; F471-G483 WeakPolarHBondContact O-CA 3.37Å; F471-A484 PolarHBondContact N-O 3.16Å; F471-A484 PolarHBondContact O-N 2.77Å; F471-A484 VanDerWaalsContact O-N 3.15Å; F471-L486 HydrophobicContact CB-CD2 3.79Å
472	S	94.9	Very high	92.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-69.3	128.6	175.6	70.5	0	0	0	0	110.5	C457 E458	C457-S472 VanDerWaalsContact CA-OG 3.23Å; C457-S472 WeakPolarHBondContact CA-OG 3.44Å; C457-S472 WeakPolarHBondContact CB-OG 3.43Å; C457-S472 PolarHBondContact SG-O 2.9Å; C457-S472 VanDerWaalsContact SG-O 3.39Å; E458-S472 PolarHBondContact N-OG 3.38Å; E458-S472 PolarHBondContact O-N 3.05Å; E458-S472 PolarHBondContact O-OG 3.36Å
473	L	93.4	Very high	93	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.016	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-72.5	145.9	-176.9	-60.3	-176.5	0	0	0	112.3	P60 C61 L63 Q66 I305 F471 G475 D476	P60-L473 HydrophobicContact CG-CB 4.28Å; P60-L473 HydrophobicContact CG-CD1 4.2Å; P60-L473 HydrophobicContact CG-CD2 4.01Å; P60-L473 HydrophobicContact CG-CG 4.4Å; C61-L473 WeakPolarHBondContact SG-CD1 3.41Å; L63-L473 HydrophobicContact CD2-CB 4.33Å; Q66-L473 HydrophobicContact CB-CD1 3.93Å; Q66-L473 HydrophobicContact CG-CD1 3.82Å; I305-L473 HydrophobicContact CG1-CD2 4.37Å; I305-L473 HydrophobicContact CG2-CD2 3.8Å; F471-L473 PolarHBondContact O-N 2.83Å; L473-G475 PolarHBondContact O-N 3.36Å; L473-D476 WeakPolarHBondContact O-CB 3.39Å; L473-D476 PolarHBondContact O-N 2.95Å; L473-D476 VanDerWaalsContact O-N 3.17Å
474	I	91.9	Very high	93.2	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.015	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	134.1	174.5	-59.5	174.2	0	0	0	109	V57 L306 F310 F432 I455 D476	V57-I474 HydrophobicContact CB-CG2 4.36Å; V57-I474 HydrophobicContact CG1-CG2 3.62Å; L306-I474 HydrophobicContact CD2-CD1 3.58Å; L306-I474 HydrophobicContact CD2-CG1 4.49Å; F310-I474 HydrophobicContact CB-CD1 3.57Å; F432-I474 HydrophobicContact CE2-CD1 4.39Å; I455-I474 HydrophobicContact CD1-CD1 4.16Å; I455-I474 HydrophobicContact CD1-CG2 3.92Å; I455-I474 HydrophobicContact CG1-CG2 4.48Å; I455-I474 HydrophobicContact CG2-CD1 4.41Å; I455-I474 HydrophobicContact CG2-CG1 4.04Å; I455-I474 HydrophobicContact CG2-CG2 4.43Å; I474-D476 VanDerWaalsContact C-N 3.34Å
475	G	89.1	Confident	93.3	Very high	18 Å²	18	12.4 Å²	12.4	19%	0.186	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-14.2	-175.1	0	0	0	0	0	113.5	L63 L473 S477	L63-G475 WeakPolarHBondContact CD1-O 3.4Å; L473-G475 PolarHBondContact O-N 3.36Å; G475-S477 PolarHBondContact O-N 3.47Å
476	D	92.4	Very high	93.4	Very high	15 Å²	15	12.5 Å²	12.5	8%	0.08	9%	0.094	C	C	.	.			trans	-77.4	107	169.3	-166.8	-9.2	0	0	0	110.6	L63 Q66 L473 I474 S478 H481	L63-D476 HydrophobicContact CD1-CB 4.49Å; L63-D476 HydrophobicContact CD2-CB 3.96Å; Q66-D476 PolarHBondContact NE2-OD2 3.49Å; L473-D476 WeakPolarHBondContact O-CB 3.39Å; L473-D476 PolarHBondContact O-N 2.95Å; L473-D476 VanDerWaalsContact O-N 3.17Å; I474-D476 VanDerWaalsContact C-N 3.34Å; D476-S478 VanDerWaalsContact C-N 3.33Å; D476-S478 VanDerWaalsContact OD1-CB 3.28Å; D476-S478 WeakPolarHBondContact OD1-CB 3.47Å; D476-S478 PolarHBondContact OD1-N 3.1Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; D476-S478 PolarHBondContact OD2-OG 2.96Å; D476-H481 IonicContact OD2-CE1 2.74Å; D476-H481 PolarHBondContact OD2-CE1 2.97Å; D476-H481 VanDerWaalsContact OD2-CE1 3.24Å; D476-H481 IonicContact OD2-NE2 2.78Å
477	S	89.9	Confident	93.5	Very high	45 Å²	45	12.5 Å²	12.5	32%	0.315	9%	0.094	S	C	.	.			trans	-84.2	-7.6	176.3	61.5	0	0	0	0	113.5	G475	G475-S477 PolarHBondContact O-N 3.47Å
478	S	91.2	Very high	93.9	Very high	46 Å²	46	11.4 Å²	11.4	32%	0.322	8%	0.083	S	C	.	.			trans	-71.4	161.9	179.8	73.8	0	0	0	0	111.7	R449 D476 H481	R449-S478 PolarHBondContact NH1-O 3.14Å; D476-S478 VanDerWaalsContact C-N 3.33Å; D476-S478 VanDerWaalsContact OD1-CB 3.28Å; D476-S478 WeakPolarHBondContact OD1-CB 3.47Å; D476-S478 PolarHBondContact OD1-N 3.1Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; D476-S478 PolarHBondContact OD2-OG 2.96Å; S478-H481 PolarHBondContact O-NE2 3.39Å; S478-H481 PolarHBondContact OG-NE2 3.43Å
479	T	90.3	Very high	94.1	Very high	39 Å²	39	10.6 Å²	10.6	24%	0.239	8%	0.075	C	C	.	.			trans	-139.7	165.6	-171.5	57.7	0	0	0	0	110.1	C442 L445	C442-T479 VanDerWaalsContact CB-OG1 3.26Å; C442-T479 WeakPolarHBondContact CB-OG1 3.29Å; C442-T479 PolarHBondContact SG-OG1 3.28Å; L445-T479 HydrophobicContact CB-CG2 4.4Å; L445-T479 HydrophobicContact CD2-CG2 4.01Å; L445-T479 HydrophobicContact CG-CG2 4.18Å
480	G	84.8	Confident	94.2	Very high	23 Å²	23	11 Å²	11	24%	0.237	8%	0.077	C	C	.	.	S	Bend	trans	80.9	28.3	-178.7	0	0	0	0	0	112.9	C442 R553	C442-G480 WeakPolarHBondContact SG-CA 3.21Å; C442-G480 PolarHBondContact SG-N 2.84Å; C442-G480 VanDerWaalsContact SG-N 3.4Å; G480-R553 WeakPolarHBondContact O-CG 3.43Å; G480-R553 PolarHBondContact O-NE 3.36Å
481	H	93.4	Very high	94.3	Very high	5 Å²	5	11 Å²	11	2%	0.023	8%	0.077	C	C	.	.	S	Bend	trans	-149.6	156	172.5	65.7	93	0	0	0	108.5	D476 S478 G483 L547 T551 L552	D476-H481 IonicContact OD2-CE1 2.74Å; D476-H481 PolarHBondContact OD2-CE1 2.97Å; D476-H481 VanDerWaalsContact OD2-CE1 3.24Å; D476-H481 IonicContact OD2-NE2 2.78Å; S478-H481 PolarHBondContact O-NE2 3.39Å; S478-H481 PolarHBondContact OG-NE2 3.43Å; H481-G483 PolarHBondContact ND1-N 2.8Å; H481-L547 HydrophobicContact CB-CD1 3.82Å; H481-T551 WeakPolarHBondContact ND1-CB 3.33Å; H481-L552 CarbonylContact C-O 3.55Å; H481-L552 WeakPolarHBondContact CA-O 3.49Å; H481-L552 WeakPolarHBondContact CB-O 3.14Å
482	V	93.4	Very high	94.3	Very high	11 Å²	11	13.4 Å²	13.4	7%	0.067	9%	0.087	C	C	.	.			trans	-100.8	16.8	-179.7	-65.5	0	0	0	0	112.4	E458 Y460 T470 F471 L552 I554	E458-V482 HydrophobicContact CG-CG1 4.26Å; Y460-V482 HydrophobicContact CG-CG2 4.21Å; T470-V482 CarbonylContact C-O 3.58Å; T470-V482 WeakPolarHBondContact CB-O 3.28Å; T470-V482 VanDerWaalsContact OG1-CG2 3.28Å; T470-V482 WeakPolarHBondContact OG1-CG2 3.28Å; T470-V482 PolarHBondContact OG1-O 2.93Å; F471-V482 PolarHBondContact N-O 3.24Å; V482-L552 HydrophobicContact CG2-CB 4.14Å; V482-L552 HydrophobicContact CG2-CD2 4.41Å; V482-L552 HydrophobicContact CG2-CG 4.39Å; V482-L552 VanDerWaalsContact CG2-O 3.22Å; V482-L552 WeakPolarHBondContact CG2-O 3.36Å; V482-L552 PolarHBondContact N-O 2.95Å; V482-I554 HydrophobicContact CG1-CG1 3.95Å; V482-I554 HydrophobicContact CG2-CD1 3.96Å; V482-I554 HydrophobicContact CG2-CG1 3.92Å
483	G	96.1	Very high	94.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.087	C	C	.	.			trans	86	-159.9	174	0	0	0	0	0	114.5	F471 H481 T551 L552	F471-G483 WeakPolarHBondContact O-CA 3.37Å; H481-G483 PolarHBondContact ND1-N 2.8Å; G483-T551 CarbonylContact O-C 3.59Å; G483-T551 WeakPolarHBondContact O-CA 3.2Å; G483-L552 PolarHBondContact O-N 3.28Å
484	A	97.1	Very high	94.6	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	161.7	-177.6	0	0	0	0	0	111	Q66 T470 F471 L486	Q66-A484 HydrophobicContact CB-CB 3.85Å; Q66-A484 WeakPolarHBondContact O-CB 3.23Å; T470-A484 CarbonylContact C-O 3.41Å; T470-A484 WeakPolarHBondContact CA-O 3.43Å; T470-A484 VanDerWaalsContact CB-O 3.27Å; T470-A484 WeakPolarHBondContact CB-O 3.27Å; F471-A484 PolarHBondContact N-O 3.16Å; F471-A484 PolarHBondContact O-N 2.77Å; F471-A484 VanDerWaalsContact O-N 3.15Å; A484-L486 PolarHBondContact O-N 3.42Å
485	P	98.1	Very high	94.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	139.5	173.1	-28.2	37.2	0	0	0	112.8	S79 V491 W546	S79-P485 VanDerWaalsContact CB-O 3.23Å; S79-P485 WeakPolarHBondContact CB-O 3.39Å; S79-P485 PolarHBondContact OG-O 3.01Å; P485-V491 HydrophobicContact CB-CG2 3.92Å; P485-V491 HydrophobicContact CG-CB 4.1Å; P485-V491 HydrophobicContact CG-CG2 3.88Å; P485-W546 HydrophobicContact CG-CH2 3.78Å; P485-W546 HydrophobicContact CG-CZ3 4.42Å
486	L	97.9	Very high	94.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-60.6	144.4	166	-73.4	-175.1	0	0	0	109.9	V302 I305 G468 C469 F471 A484 C488 A489	V302-L486 HydrophobicContact CG2-CD2 4.4Å; I305-L486 HydrophobicContact CD1-CD2 3.4Å; I305-L486 VanDerWaalsContact CD1-CD2 3.4Å; G468-L486 WeakPolarHBondContact O-CD1 3.27Å; C469-L486 WeakPolarHBondContact O-CB 3.48Å; C469-L486 WeakPolarHBondContact O-CG 2.94Å; C469-L486 PolarHBondContact O-N 3.11Å; F471-L486 HydrophobicContact CB-CD2 3.79Å; A484-L486 PolarHBondContact O-N 3.42Å; L486-C488 PolarHBondContact O-N 3.49Å; L486-A489 PolarHBondContact O-N 3.29Å
487	P	98.2	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-22.3	174.2	-34.1	36.3	0	0	0	116.5	L81 L82 L87 L88 K304 I305 A489	L81-P487 HydrophobicContact CB-CG 4.46Å; L81-P487 HydrophobicContact CD1-CG 4.41Å; L82-P487 WeakPolarHBondContact CD1-O 3.21Å; L82-P487 HydrophobicContact CD2-CB 3.92Å; L82-P487 HydrophobicContact CG-CB 4.3Å; L87-P487 WeakPolarHBondContact CA-O 3.3Å; L88-P487 HydrophobicContact CB-CB 3.74Å; L88-P487 HydrophobicContact CD2-CB 4.03Å; L88-P487 PolarHBondContact N-O 3.01Å; K304-P487 HydrophobicContact CB-CG 4.15Å; K304-P487 HydrophobicContact CG-CG 3.97Å; I305-P487 HydrophobicContact CG1-CG 4.41Å; P487-A489 VanDerWaalsContact C-N 3.34Å
488	C	97.9	Very high	93.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.2	175.2	66.2	0	0	0	0	113.9	L88 S301 L486 P515	L88-C488 VanDerWaalsContact O-CB 3.24Å; L88-C488 WeakPolarHBondContact O-CB 3.39Å; S301-C488 WeakPolarHBondContact OG-CB 3.45Å; S301-C488 PolarHBondContact OG-N 3.33Å; S301-C488 PolarHBondContact OG-SG 3.34Å; L486-C488 PolarHBondContact O-N 3.49Å; C488-P515 HydrophobicContact CB-CG 4.05Å; C488-P515 WeakPolarHBondContact O-CD 3.3Å
489	A	97.7	Very high	92.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.			trans	-135.9	133.6	-172.4	0	0	0	0	0	112.7	L486 P487 I512	L486-A489 PolarHBondContact O-N 3.29Å; P487-A489 VanDerWaalsContact C-N 3.34Å; A489-I512 HydrophobicContact CB-CG2 4.18Å
490	M	98.1	Very high	91.8	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.044	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.9	154.4	-63.1	178.7	178.8	0	0	108.5	V70 D85 L87 I512 R513 W537	V70-M490 HydrophobicContact CG1-CE 4.09Å; V70-M490 HydrophobicContact CG1-SD 4.01Å; V70-M490 HydrophobicContact CG2-CE 4.46Å; V70-M490 HydrophobicContact CG2-CG 4.21Å; V70-M490 HydrophobicContact CG2-SD 4.28Å; D85-M490 HydrophobicContact CB-CE 4.19Å; D85-M490 WeakPolarHBondContact O-CE 3.48Å; L87-M490 HydrophobicContact CD1-CG 4.09Å; L87-M490 HydrophobicContact CD2-CE 4.34Å; L87-M490 HydrophobicContact CD2-CG 3.9Å; L87-M490 HydrophobicContact CG-CE 4.28Å; L87-M490 HydrophobicContact CG-CG 4.34Å; M490-I512 WeakPolarHBondContact O-CA 3.15Å; M490-R513 PolarHBondContact N-O 3.45Å; M490-R513 PolarHBondContact O-N 2.99Å; M490-R513 PolarHBondContact SD-NH2 3.45Å; M490-W537 HydrophobicContact CB-CH2 3.8Å; M490-W537 HydrophobicContact CB-CZ3 4.15Å
491	V	98.4	Very high	91.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.1	179.5	-176.8	0	0	0	0	108.5	C76 R77 C469 P485 I510 C511 W546 L552	C76-V491 CarbonylContact C-O 3.57Å; C76-V491 WeakPolarHBondContact CA-O 3.46Å; R77-V491 PolarHBondContact N-O 3Å; R77-V491 PolarHBondContact O-N 3.34Å; C469-V491 VanDerWaalsContact SG-CG2 3.55Å; P485-V491 HydrophobicContact CB-CG2 3.92Å; P485-V491 HydrophobicContact CG-CB 4.1Å; P485-V491 HydrophobicContact CG-CG2 3.88Å; V491-I510 HydrophobicContact CG1-CG2 3.78Å; V491-C511 CarbonylContact C-O 3.44Å; V491-C511 WeakPolarHBondContact CA-O 3.48Å; V491-W546 HydrophobicContact CB-CH2 3.96Å; V491-W546 HydrophobicContact CB-CZ2 3.87Å; V491-W546 HydrophobicContact CG1-CH2 3.99Å; V491-W546 HydrophobicContact CG1-CZ2 3.75Å; V491-W546 WeakPolarHBondContact O-CZ2 3.26Å; V491-L552 HydrophobicContact CG1-CD2 4.22Å
492	K	96.6	Very high	91.6	Very high	61 Å²	61	30.8 Å²	30.8	27%	0.265	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.3	178.9	178.4	-177	179.9	-163.9	0	109.7	S75 C76 V494 I510 C511 W537	S75-K492 CarbonylContact O-C 3.51Å; S75-K492 VanDerWaalsContact O-CA 3.31Å; S75-K492 WeakPolarHBondContact O-CA 3.24Å; C76-K492 HydrophobicContact CB-CB 4.23Å; C76-K492 HydrophobicContact CB-CG 4.28Å; K492-V494 HydrophobicContact CD-CG1 3.82Å; K492-V494 HydrophobicContact CG-CG1 4.04Å; K492-I510 CarbonylContact O-C 3.56Å; K492-I510 WeakPolarHBondContact O-CA 3.32Å; K492-C511 HydrophobicContact CB-CB 4.26Å; K492-C511 PolarHBondContact N-O 2.79Å; K492-C511 PolarHBondContact O-N 2.91Å; K492-W537 HydrophobicContact CB-CE3 4.1Å; K492-W537 HydrophobicContact CB-CH2 3.82Å; K492-W537 HydrophobicContact CB-CZ2 4.46Å; K492-W537 HydrophobicContact CB-CZ3 3.61Å; K492-W537 HydrophobicContact CD-CZ2 4.39Å
493	V	97.3	Very high	91.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.6	162.2	-66.6	0	0	0	0	109.6	S75 A503 E509	S75-V493 PolarHBondContact O-N 2.69Å; V493-A503 HydrophobicContact CG2-CB 4.28Å; V493-A503 VanDerWaalsContact O-CB 3.31Å; V493-A503 WeakPolarHBondContact O-CB 3.43Å; V493-E509 CarbonylContact C-O 3.53Å; V493-E509 VanDerWaalsContact CA-O 3.29Å; V493-E509 WeakPolarHBondContact CA-O 3.33Å
494	V	96.3	Very high	91.4	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.158	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150	178.1	-60.2	0	0	0	0	111.2	K492 G508 E509	K492-V494 HydrophobicContact CD-CG1 3.82Å; K492-V494 HydrophobicContact CG-CG1 4.04Å; V494-G508 CarbonylContact O-C 3.58Å; V494-G508 WeakPolarHBondContact O-CA 3.18Å; V494-E509 HydrophobicContact CG2-CB 3.72Å; V494-E509 HydrophobicContact CG2-CG 4.18Å; V494-E509 PolarHBondContact N-O 2.7Å; V494-E509 PolarHBondContact O-N 2.65Å
495	D	93.4	Very high	91.1	Very high	85 Å²	85	43.9 Å²	43.9	46%	0.455	23%	0.225	S	C	.	.			trans	-55.1	141.2	-178.5	-70.4	-3.5	0	0	0	112.4	P497 F502 A503	D495-P497 HydrophobicContact CB-CG 4.35Å; D495-F502 WeakPolarHBondContact OD1-CA 3.36Å; D495-A503 WeakPolarHBondContact OD1-CB 3.5Å; D495-A503 PolarHBondContact OD1-N 3.05Å
496	I	87.4	Confident	90.9	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.041	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-125.5	79.8	165.3	-43.4	176	0	0	0	107.5	D498 M499 N500 Y501 E509 V543	I496-D498 PolarHBondContact O-N 2.77Å; I496-M499 HydrophobicContact CB-CB 4.28Å; I496-M499 HydrophobicContact CG2-CB 3.83Å; I496-M499 HydrophobicContact CG2-CG 3.9Å; I496-M499 HydrophobicContact CG2-SD 3.83Å; I496-M499 CarbonylContact O-C 3.57Å; I496-M499 PolarHBondContact O-N 3.09Å; I496-N500 PolarHBondContact O-N 3.1Å; I496-Y501 CarbonylContact C-O 3.54Å; I496-Y501 HydrophobicContact CD1-CD2 4.46Å; I496-Y501 PolarHBondContact N-O 3.26Å; I496-Y501 PolarHBondContact O-N 3.44Å; I496-E509 HydrophobicContact CD1-CB 3.7Å; I496-E509 HydrophobicContact CG1-CB 3.82Å; I496-V543 HydrophobicContact CD1-CG1 4.24Å; I496-V543 HydrophobicContact CD1-CG2 3.61Å
497	P	81.4	Confident	90.6	Very high	78 Å²	78	46.6 Å²	46.6	51%	0.506	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-56.2	-38.9	-174.3	-26.7	36	0	0	0	112.8	D495 M499 N500 F502	D495-P497 HydrophobicContact CB-CG 4.35Å; P497-M499 PolarHBondContact O-N 2.66Å; P497-M499 VanDerWaalsContact O-N 3.1Å; P497-N500 PolarHBondContact O-N 3.42Å; P497-N500 VanDerWaalsContact O-N 3.07Å; P497-F502 HydrophobicContact CB-CE1 4.47Å
498	D	74.6	Confident	90.4	Very high	133 Å²	133	46.6 Å²	46.6	71%	0.711	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-61.1	-22	179.2	-65.8	-25.5	0	0	0	113.6	I496 Y569	I496-D498 PolarHBondContact O-N 2.77Å; D498-Y569 WeakPolarHBondContact O-CE2 3.46Å; D498-Y569 PolarHBondContact O-OH 2.91Å
499	M	71.3	Confident	90.3	Very high	18 Å²	18	47.1 Å²	47.1	9%	0.089	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-112.5	7.2	-179.1	-67.4	173.6	45.4	0	0	112.5	I496 P497 Y501 V543 K558 I561 Y569	I496-M499 HydrophobicContact CB-CB 4.28Å; I496-M499 HydrophobicContact CG2-CB 3.83Å; I496-M499 HydrophobicContact CG2-CG 3.9Å; I496-M499 HydrophobicContact CG2-SD 3.83Å; I496-M499 CarbonylContact O-C 3.57Å; I496-M499 PolarHBondContact O-N 3.09Å; P497-M499 PolarHBondContact O-N 2.66Å; P497-M499 VanDerWaalsContact O-N 3.1Å; M499-Y501 HydrophobicContact CB-CD2 3.62Å; M499-Y501 HydrophobicContact CB-CE2 3.98Å; M499-Y501 HydrophobicContact CE-CD2 3.82Å; M499-Y501 HydrophobicContact CE-CE2 3.53Å; M499-Y501 PolarHBondContact O-N 2.81Å; M499-V543 HydrophobicContact CE-CG2 3.92Å; M499-K558 HydrophobicContact SD-CG 4.22Å; M499-I561 HydrophobicContact CE-CD1 3.11Å; M499-I561 HydrophobicContact SD-CD1 4.09Å; M499-Y569 HydrophobicContact CG-CD1 4.17Å; M499-Y569 HydrophobicContact CG-CE1 3.93Å
500	N	78.9	Confident	90.3	Very high	114 Å²	114	47.1 Å²	47.1	61%	0.61	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	28.3	-176.7	-61.3	-53.4	0	0	0	114.9	I496 P497 F502	I496-N500 PolarHBondContact O-N 3.1Å; P497-N500 PolarHBondContact O-N 3.42Å; P497-N500 VanDerWaalsContact O-N 3.07Å; N500-F502 HydrophobicContact CB-CE2 4.37Å
501	Y	85.4	Confident	90.3	Very high	43 Å²	43	46.7 Å²	46.7	17%	0.169	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-98.8	129.9	170.7	-64.4	-65.4	0	0	0	109.8	I496 M499 E507 V543 I555 D556	I496-Y501 CarbonylContact C-O 3.54Å; I496-Y501 HydrophobicContact CD1-CD2 4.46Å; I496-Y501 PolarHBondContact N-O 3.26Å; I496-Y501 PolarHBondContact O-N 3.44Å; M499-Y501 HydrophobicContact CB-CD2 3.62Å; M499-Y501 HydrophobicContact CB-CE2 3.98Å; M499-Y501 HydrophobicContact CE-CD2 3.82Å; M499-Y501 HydrophobicContact CE-CE2 3.53Å; M499-Y501 PolarHBondContact O-N 2.81Å; Y501-E507 HydrophobicContact CD1-CB 4.07Å; Y501-V543 HydrophobicContact CD1-CG1 4.22Å; Y501-V543 HydrophobicContact CD2-CG1 3.73Å; Y501-V543 HydrophobicContact CE1-CG1 4.41Å; Y501-V543 HydrophobicContact CE2-CG1 3.93Å; Y501-V543 HydrophobicContact CG-CG1 3.88Å; Y501-I555 HydrophobicContact CD1-CD1 3.97Å; Y501-I555 HydrophobicContact CE1-CD1 3.49Å; Y501-I555 VanDerWaalsContact CE1-CD1 3.49Å; Y501-D556 HydrophobicContact CE2-CB 4.41Å; Y501-D556 PolarHBondContact OH-OD2 3.19Å; Y501-D556 VanDerWaalsContact OH-OD2 3.05Å
502	F	87.6	Confident	90.3	Very high	57 Å²	57	46.7 Å²	46.7	25%	0.25	24%	0.242	C	C	.	.			trans	-134.1	130.6	-175.8	-59.2	-82.2	0	0	0	111.2	D495 P497 N500 K504 N505 E507	D495-F502 WeakPolarHBondContact OD1-CA 3.36Å; P497-F502 HydrophobicContact CB-CE1 4.47Å; N500-F502 HydrophobicContact CB-CE2 4.37Å; F502-K504 HydrophobicContact CB-CD 4.48Å; F502-K504 HydrophobicContact CB-CG 3.97Å; F502-K504 PolarHBondContact O-N 2.95Å; F502-K504 VanDerWaalsContact O-N 3.14Å; F502-N505 WeakPolarHBondContact O-CA 3.42Å; F502-N505 WeakPolarHBondContact O-CB 3.28Å; F502-N505 PolarHBondContact O-N 2.89Å; F502-E507 CarbonylContact C-O 3.41Å; F502-E507 PolarHBondContact N-O 2.94Å; F502-E507 PolarHBondContact O-N 3.09Å
503	A	94.1	Very high	90.4	Very high	18 Å²	18	48.5 Å²	48.5	15%	0.149	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.9	-30	-176.8	0	0	0	0	0	112.3	V493 D495 N505 G506 E507	V493-A503 HydrophobicContact CG2-CB 4.28Å; V493-A503 VanDerWaalsContact O-CB 3.31Å; V493-A503 WeakPolarHBondContact O-CB 3.43Å; D495-A503 WeakPolarHBondContact OD1-CB 3.5Å; D495-A503 PolarHBondContact OD1-N 3.05Å; A503-N505 PolarHBondContact O-N 3.47Å; A503-G506 WeakPolarHBondContact O-CA 3.5Å; A503-G506 PolarHBondContact O-N 3.24Å; A503-E507 WeakPolarHBondContact CA-O 3.46Å; A503-E507 PolarHBondContact N-O 2.89Å
504	K	92.8	Very high	90.4	Very high	177 Å²	177	49.4 Å²	49.4	77%	0.77	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-59	-25.7	172.4	73.9	-176.4	-178.7	-179	0	113.6	F502 G506	F502-K504 HydrophobicContact CB-CD 4.48Å; F502-K504 HydrophobicContact CB-CG 3.97Å; F502-K504 PolarHBondContact O-N 2.95Å; F502-K504 VanDerWaalsContact O-N 3.14Å; K504-G506 VanDerWaalsContact C-N 3.33Å
505	N	89.6	Confident	90.5	Very high	93 Å²	93	49.8 Å²	49.8	50%	0.497	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-92.5	4.1	175.2	-59.6	-19.7	0	0	0	111.8	F502 A503 E507	F502-N505 WeakPolarHBondContact O-CA 3.42Å; F502-N505 WeakPolarHBondContact O-CB 3.28Å; F502-N505 PolarHBondContact O-N 2.89Å; A503-N505 PolarHBondContact O-N 3.47Å; N505-E507 VanDerWaalsContact C-N 3.28Å
506	G	93.1	Very high	90.6	Very high	15 Å²	15	45.8 Å²	45.8	16%	0.155	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	17	-172.6	0	0	0	0	0	113.7	A503 K504 Q545 W546	A503-G506 WeakPolarHBondContact O-CA 3.5Å; A503-G506 PolarHBondContact O-N 3.24Å; K504-G506 VanDerWaalsContact C-N 3.33Å; G506-Q545 CarbonylContact O-C 2.81Å; G506-Q545 VanDerWaalsContact O-CA 3.29Å; G506-Q545 WeakPolarHBondContact O-CA 3.49Å; G506-W546 PolarHBondContact O-N 3.36Å
507	E	92.9	Very high	91.1	Very high	43 Å²	43	46.1 Å²	46.1	20%	0.201	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.4	-174.9	-67.4	173.4	177.2	0	0	111.4	Y501 F502 A503 N505 G544 Q545 I555	Y501-E507 HydrophobicContact CD1-CB 4.07Å; F502-E507 CarbonylContact C-O 3.41Å; F502-E507 PolarHBondContact N-O 2.94Å; F502-E507 PolarHBondContact O-N 3.09Å; A503-E507 WeakPolarHBondContact CA-O 3.46Å; A503-E507 PolarHBondContact N-O 2.89Å; N505-E507 VanDerWaalsContact C-N 3.28Å; E507-G544 VanDerWaalsContact CA-O 3.32Å; E507-G544 WeakPolarHBondContact CA-O 3.29Å; E507-Q545 HydrophobicContact CG-CB 4.01Å; E507-Q545 HydrophobicContact CG-CG 3.74Å; E507-Q545 PolarHBondContact OE1-NE2 2.9Å; E507-I555 HydrophobicContact CG-CD1 4.35Å
508	G	94.3	Very high	91.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-175.9	179.7	0	0	0	0	0	113.8	V494 I510 V543 G544	V494-G508 CarbonylContact O-C 3.58Å; V494-G508 WeakPolarHBondContact O-CA 3.18Å; G508-I510 PolarHBondContact O-N 2.95Å; G508-V543 CarbonylContact O-C 3.55Å; G508-V543 VanDerWaalsContact O-CA 3.3Å; G508-V543 WeakPolarHBondContact O-CA 3.42Å; G508-V543 VanDerWaalsContact O-CG1 3.32Å; G508-V543 WeakPolarHBondContact O-CG1 3.27Å; G508-G544 PolarHBondContact N-O 3.33Å; G508-G544 PolarHBondContact O-N 2.84Å
509	E	95.9	Very high	93	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131	171.5	169	167.5	-145.7	0	0	108.8	V493 V494 I496 C511 H539 G541 D542 K558	V493-E509 CarbonylContact C-O 3.53Å; V493-E509 VanDerWaalsContact CA-O 3.29Å; V493-E509 WeakPolarHBondContact CA-O 3.33Å; V494-E509 HydrophobicContact CG2-CB 3.72Å; V494-E509 HydrophobicContact CG2-CG 4.18Å; V494-E509 PolarHBondContact N-O 2.7Å; V494-E509 PolarHBondContact O-N 2.65Å; I496-E509 HydrophobicContact CD1-CB 3.7Å; I496-E509 HydrophobicContact CG1-CB 3.82Å; E509-C511 PolarHBondContact O-N 3.34Å; E509-H539 IonicContact OE2-ND1 3.45Å; E509-G541 WeakPolarHBondContact OE1-CA 3.34Å; E509-G541 PolarHBondContact OE1-N 3.37Å; E509-G541 VanDerWaalsContact OE1-N 3.12Å; E509-D542 WeakPolarHBondContact CA-O 3.42Å; E509-K558 IonicContact OE1-NZ 3.97Å; E509-K558 IonicContact OE2-NZ 3.65Å; E509-K558 PolarHBondContact OE2-NZ 2.96Å
510	I	97.8	Very high	94.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	126.5	177.2	-61.6	160	0	0	0	107.8	Y460 V491 K492 G508 I512 T540 D542 L552 I554	Y460-I510 HydrophobicContact CE1-CD1 4.31Å; Y460-I510 HydrophobicContact CE1-CG2 4.36Å; V491-I510 HydrophobicContact CG1-CG2 3.78Å; K492-I510 CarbonylContact O-C 3.56Å; K492-I510 WeakPolarHBondContact O-CA 3.32Å; G508-I510 PolarHBondContact O-N 2.95Å; I510-I512 HydrophobicContact CG2-CG1 4.23Å; I510-T540 HydrophobicContact CB-CG2 4.31Å; I510-T540 HydrophobicContact CG2-CG2 4.07Å; I510-T540 VanDerWaalsContact O-CG2 3.27Å; I510-T540 WeakPolarHBondContact O-CG2 3.31Å; I510-T540 PolarHBondContact O-N 2.94Å; I510-T540 VanDerWaalsContact O-N 3.08Å; I510-T540 PolarHBondContact O-OG1 3.31Å; I510-D542 HydrophobicContact CD1-CB 4.1Å; I510-D542 PolarHBondContact N-O 3.29Å; I510-L552 HydrophobicContact CD1-CD2 3.89Å; I510-L552 HydrophobicContact CG1-CD2 4.26Å; I510-L552 HydrophobicContact CG2-CD2 4.42Å; I510-I554 HydrophobicContact CD1-CD1 3.35Å
511	C	98.1	Very high	95.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.4	173.8	-71.2	0	0	0	0	108.9	V491 K492 E509 W537 L538 H539	V491-C511 CarbonylContact C-O 3.44Å; V491-C511 WeakPolarHBondContact CA-O 3.48Å; K492-C511 HydrophobicContact CB-CB 4.26Å; K492-C511 PolarHBondContact N-O 2.79Å; K492-C511 PolarHBondContact O-N 2.91Å; E509-C511 PolarHBondContact O-N 3.34Å; C511-W537 HydrophobicContact CB-CB 4.22Å; C511-W537 HydrophobicContact CB-CD2 4.37Å; C511-W537 HydrophobicContact CB-CE3 3.81Å; C511-L538 CarbonylContact C-O 3.58Å; C511-L538 VanDerWaalsContact CA-O 3.23Å; C511-L538 WeakPolarHBondContact CA-O 3.46Å; C511-H539 VanDerWaalsContact SG-CE1 3.57Å; C511-H539 PolarHBondContact SG-ND1 2.91Å; C511-H539 VanDerWaalsContact SG-ND1 3.4Å
512	I	98.4	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.3	-176.2	-52.1	167	0	0	0	109.6	C465 C469 A489 M490 I510 V517 L538 T540	C465-I512 HydrophobicContact CB-CD1 3.99Å; C469-I512 HydrophobicContact CB-CD1 3.77Å; C469-I512 WeakPolarHBondContact SG-CD1 3.42Å; C469-I512 VanDerWaalsContact SG-CG1 3.59Å; A489-I512 HydrophobicContact CB-CG2 4.18Å; M490-I512 WeakPolarHBondContact O-CA 3.15Å; I510-I512 HydrophobicContact CG2-CG1 4.23Å; I512-V517 HydrophobicContact CB-CG2 4.49Å; I512-V517 HydrophobicContact CG2-CG2 4.05Å; I512-L538 HydrophobicContact CB-CB 4.35Å; I512-L538 HydrophobicContact CD1-CD2 4.47Å; I512-L538 PolarHBondContact N-O 3.02Å; I512-L538 WeakPolarHBondContact O-CB 3.46Å; I512-L538 PolarHBondContact O-N 2.9Å; I512-T540 HydrophobicContact CD1-CG2 3.47Å; I512-T540 VanDerWaalsContact CD1-CG2 3.47Å; I512-T540 HydrophobicContact CG1-CG2 3.8Å
513	R	97.9	Very high	96.1	Very high	98 Å²	98	38.4 Å²	38.4	37%	0.37	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.6	172.6	-172.8	175.5	76.5	119.7	3.7	110.3	M490 D535 W537	M490-R513 PolarHBondContact N-O 3.45Å; M490-R513 PolarHBondContact O-N 2.99Å; M490-R513 PolarHBondContact SD-NH2 3.45Å; R513-D535 WeakPolarHBondContact CD-O 3.23Å; R513-W537 HydrophobicContact CB-CD2 3.7Å; R513-W537 HydrophobicContact CB-CE3 3.5Å; R513-W537 VanDerWaalsContact CB-CE3 3.5Å; R513-W537 HydrophobicContact CB-CG 4.37Å; R513-W537 HydrophobicContact CB-CH2 3.94Å; R513-W537 HydrophobicContact CB-CZ2 4.15Å; R513-W537 HydrophobicContact CB-CZ3 3.63Å
514	G	97.6	Very high	96.2	Very high	19 Å²	19	39.1 Å²	39.1	20%	0.196	19%	0.189	C	C	.	.	S	Bend	trans	152.3	175.3	175.7	0	0	0	0	0	113.4	L87 S516 V517	L87-G514 VanDerWaalsContact CD1-CA 3.49Å; G514-S516 PolarHBondContact O-N 3Å; G514-V517 WeakPolarHBondContact O-CB 3.35Å; G514-V517 PolarHBondContact O-N 3.07Å
515	P	97.6	Very high	96.3	Very high	35 Å²	35	35.5 Å²	35.5	23%	0.227	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.8	-176.4	24.5	-37.5	0	0	0	114.6	L87 E89 N294 S297 C488	L87-P515 HydrophobicContact CB-CG 4.49Å; E89-P515 HydrophobicContact CG-CB 4.02Å; E89-P515 HydrophobicContact CG-CG 3.91Å; N294-P515 WeakPolarHBondContact CA-O 3.42Å; N294-P515 PolarHBondContact ND2-O 2.99Å; S297-P515 PolarHBondContact OG-O 2.85Å; C488-P515 HydrophobicContact CB-CG 4.05Å; C488-P515 WeakPolarHBondContact O-CD 3.3Å
516	S	96.8	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	174.7	65.6	0	0	0	0	114.2	C465 T466 G514	C465-S516 CarbonylContact C-O 3.51Å; C465-S516 WeakPolarHBondContact CA-O 3.35Å; T466-S516 WeakPolarHBondContact CB-O 3.31Å; T466-S516 PolarHBondContact N-O 3.22Å; T466-S516 PolarHBondContact OG1-O 2.81Å; G514-S516 PolarHBondContact O-N 3Å
517	V	98.3	Very high	96.4	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.091	20%	0.198	C	C	.	.	S	Bend	trans	-73.9	132.6	177.1	176	0	0	0	0	109.9	N294 I512 G514 L532 L538	N294-V517 PolarHBondContact ND2-O 3.34Å; I512-V517 HydrophobicContact CB-CG2 4.49Å; I512-V517 HydrophobicContact CG2-CG2 4.05Å; G514-V517 WeakPolarHBondContact O-CB 3.35Å; G514-V517 PolarHBondContact O-N 3.07Å; V517-L532 HydrophobicContact CG1-CD2 3.48Å; V517-L532 VanDerWaalsContact CG1-CD2 3.48Å; V517-L538 HydrophobicContact CG1-CB 3.96Å; V517-L538 HydrophobicContact CG1-CD2 4.37Å; V517-L538 HydrophobicContact CG2-CB 4.34Å
518	F	98.1	Very high	96.5	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.022	20%	0.196	C	C	.	.			trans	-57.3	162.4	-179.6	77.1	-27.5	0	0	0	113.3	A288 M289 I290 E464 G520 Y521 A531 L532 L538	A288-F518 HydrophobicContact CB-CD2 3.78Å; A288-F518 HydrophobicContact CB-CE2 4.29Å; M289-F518 WeakPolarHBondContact O-CB 3.37Å; I290-F518 HydrophobicContact CD1-CB 3.55Å; E464-F518 HydrophobicContact CB-CD1 4.08Å; E464-F518 HydrophobicContact CB-CD2 4.09Å; E464-F518 HydrophobicContact CB-CE1 4.05Å; E464-F518 HydrophobicContact CB-CE2 4.07Å; E464-F518 HydrophobicContact CB-CG 4.11Å; E464-F518 HydrophobicContact CB-CZ 4.06Å; E464-F518 HydrophobicContact CG-CD2 3.87Å; E464-F518 HydrophobicContact CG-CE1 4.23Å; E464-F518 HydrophobicContact CG-CE2 3.5Å; E464-F518 HydrophobicContact CG-CG 4.39Å; E464-F518 HydrophobicContact CG-CZ 3.71Å; E464-F518 WeakPolarHBondContact O-CB 3.37Å; E464-F518 VanDerWaalsContact O-CD1 3.31Å; E464-F518 WeakPolarHBondContact O-CD1 3.35Å; E464-F518 WeakPolarHBondContact O-CG 3.33Å; E464-F518 PolarHBondContact O-N 3.23Å; F518-G520 WeakPolarHBondContact CD2-O 3.33Å; F518-G520 VanDerWaalsContact CE2-C 3.46Å; F518-G520 PolarHBondContact O-N 2.87Å; F518-Y521 AromaticContact CE2-CD1 3.8Å; F518-Y521 HydrophobicContact CE2-CD1 3.8Å; F518-Y521 HydrophobicContact CE2-CD2 4.19Å; F518-Y521 AromaticContact CE2-CE1 3.65Å; F518-Y521 HydrophobicContact CE2-CE1 3.65Å; F518-Y521 HydrophobicContact CE2-CE2 4.07Å; F518-Y521 HydrophobicContact CE2-CG 4.07Å; F518-Y521 AromaticContact CE2-CZ 3.79Å; F518-Y521 HydrophobicContact CZ-CD2 4.3Å; F518-Y521 HydrophobicContact CZ-CE1 4.35Å; F518-Y521 HydrophobicContact CZ-CE2 4.01Å; F518-A531 HydrophobicContact CZ-CB 4.28Å; F518-L532 HydrophobicContact CD1-CD1 3.92Å; F518-L532 HydrophobicContact CD1-CD2 4.27Å; F518-L532 HydrophobicContact CD1-CG 4.31Å; F518-L532 HydrophobicContact CE1-CD1 3.47Å; F518-L532 VanDerWaalsContact CE1-CD1 3.47Å; F518-L532 HydrophobicContact CE1-CD2 3.8Å; F518-L532 HydrophobicContact CE1-CG 3.53Å; F518-L532 HydrophobicContact CZ-CD1 4.27Å; F518-L532 HydrophobicContact CZ-CG 4.33Å; F518-L538 HydrophobicContact CE1-CD1 3.85Å; F518-L538 HydrophobicContact CZ-CD1 4.41Å
519	K	97.4	Very high	96.6	Very high	135 Å²	135	43.1 Å²	43.1	59%	0.587	22%	0.223	S	C	*	.			trans	-71.9	-18.6	177.2	-172.1	173.8	-177.7	174.1	0	113.3	L272 M289	L272-K519 HydrophobicContact CD2-CD 4.46Å; M289-K519 HydrophobicContact CB-CB 4.1Å; M289-K519 HydrophobicContact CE-CB 4.44Å; M289-K519 HydrophobicContact CE-CG 4.32Å; M289-K519 PolarHBondContact O-N 3.5Å
520	G	97.3	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.			trans	128.7	-172	-172.5	0	0	0	0	0	112.3	M289 F518	M289-G520 WeakPolarHBondContact CB-O 3.49Å; M289-G520 PolarHBondContact N-O 3.07Å; F518-G520 WeakPolarHBondContact CD2-O 3.33Å; F518-G520 VanDerWaalsContact CE2-C 3.46Å; F518-G520 PolarHBondContact O-N 2.87Å
521	Y	97.3	Very high	96.2	Very high	13 Å²	13	49.4 Å²	49.4	5%	0.051	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-92.4	136.1	177.2	-63.7	-65.7	0	0	0	111.7	K286 G287 A288 E464 F518 K523 D524 R527 T528 A531	K286-Y521 HydrophobicContact CB-CD1 3.62Å; K286-Y521 HydrophobicContact CB-CE1 3.89Å; K286-Y521 HydrophobicContact CB-CG 4.18Å; K286-Y521 HydrophobicContact CD-CE1 4.4Å; K286-Y521 HydrophobicContact CD-CE2 4.41Å; K286-Y521 PolarHBondContact NZ-OH 3.26Å; G287-Y521 CarbonylContact O-C 3.54Å; G287-Y521 WeakPolarHBondContact O-CA 3.36Å; A288-Y521 HydrophobicContact CB-CD1 4.46Å; A288-Y521 HydrophobicContact CB-CE1 4.37Å; E464-Y521 HydrophobicContact CG-CE1 4.11Å; E464-Y521 WeakPolarHBondContact CG-OH 3.08Å; E464-Y521 WeakPolarHBondContact OE1-CE1 3.12Å; E464-Y521 PolarHBondContact OE1-OH 3.01Å; F518-Y521 AromaticContact CE2-CD1 3.8Å; F518-Y521 HydrophobicContact CE2-CD1 3.8Å; F518-Y521 HydrophobicContact CE2-CD2 4.19Å; F518-Y521 AromaticContact CE2-CE1 3.65Å; F518-Y521 HydrophobicContact CE2-CE1 3.65Å; F518-Y521 HydrophobicContact CE2-CE2 4.07Å; F518-Y521 HydrophobicContact CE2-CG 4.07Å; F518-Y521 AromaticContact CE2-CZ 3.79Å; F518-Y521 HydrophobicContact CZ-CD2 4.3Å; F518-Y521 HydrophobicContact CZ-CE1 4.35Å; F518-Y521 HydrophobicContact CZ-CE2 4.01Å; Y521-K523 PolarHBondContact O-N 3.25Å; Y521-K523 VanDerWaalsContact O-N 3.15Å; Y521-D524 PolarHBondContact O-N 3.03Å; Y521-R527 HydrophobicContact CD2-CB 4.02Å; Y521-R527 HydrophobicContact CE2-CB 4.37Å; Y521-R527 WeakPolarHBondContact CE2-O 3.26Å; Y521-T528 PolarHBondContact N-OG1 3.09Å; Y521-A531 HydrophobicContact CE2-CB 3.87Å
522	L	97.2	Very high	96.1	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	116.6	-178.4	-178.4	68.9	0	0	0	110.7	F151 L194 A195 V275 F277 G287 M289 D524	F151-L522 HydrophobicContact CZ-CD1 4.18Å; L194-L522 HydrophobicContact CG-CD2 4.38Å; A195-L522 HydrophobicContact CB-CD2 3.94Å; V275-L522 HydrophobicContact CG1-CB 4.21Å; V275-L522 HydrophobicContact CG1-CD2 4.18Å; F277-L522 HydrophobicContact CZ-CD2 4.38Å; G287-L522 PolarHBondContact O-N 2.94Å; M289-L522 HydrophobicContact CG-CB 4.07Å; M289-L522 HydrophobicContact CG-CD1 4.4Å; M289-L522 HydrophobicContact SD-CB 4.34Å; M289-L522 HydrophobicContact SD-CD1 3.93Å; L522-D524 PolarHBondContact O-N 3.38Å
523	K	96.4	Very high	96	Very high	117 Å²	117	53 Å²	53	51%	0.509	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	31.9	178.7	-59.5	177.8	-179.1	172.4	0	113.7	L194 E196 Y521	L194-K523 HydrophobicContact CD1-CB 4.04Å; L194-K523 HydrophobicContact CD1-CD 4.36Å; L194-K523 WeakPolarHBondContact O-CD 3.38Å; L194-K523 WeakPolarHBondContact O-CE 3.2Å; L194-K523 PolarHBondContact O-NZ 3.18Å; E196-K523 VanDerWaalsContact CD-NZ 3.32Å; E196-K523 IonicContact OE2-NZ 2.67Å; E196-K523 PolarHBondContact OE2-NZ 2.55Å; Y521-K523 PolarHBondContact O-N 3.25Å; Y521-K523 VanDerWaalsContact O-N 3.15Å
524	D	95.3	Very high	95.9	Very high	33 Å²	33	54.1 Å²	54.1	18%	0.176	30%	0.296	C	S	.	.			trans	-136.3	74.5	-179.8	-169.6	-16	0	0	0	110.3	Y521 L522 E526 R527 T528	Y521-D524 PolarHBondContact O-N 3.03Å; L522-D524 PolarHBondContact O-N 3.38Å; D524-E526 VanDerWaalsContact C-N 3.33Å; D524-E526 PolarHBondContact O-N 3.47Å; D524-R527 WeakPolarHBondContact OD1-CB 3.28Å; D524-R527 WeakPolarHBondContact OD1-CG 3.35Å; D524-R527 PolarHBondContact OD1-N 2.91Å; D524-R527 VanDerWaalsContact OD1-N 3.12Å; D524-R527 VanDerWaalsContact OD2-CD 3.26Å; D524-R527 WeakPolarHBondContact OD2-CD 3.44Å; D524-R527 IonicContact OD2-CZ 3.87Å; D524-R527 IonicContact OD2-NE 3.29Å; D524-R527 IonicContact OD2-NH1 3.24Å; D524-R527 PolarHBondContact OD2-NH1 2.93Å; D524-T528 WeakPolarHBondContact O-CB 3.38Å; D524-T528 PolarHBondContact O-N 2.92Å; D524-T528 VanDerWaalsContact O-N 3.09Å; D524-T528 PolarHBondContact O-OG1 2.94Å
525	P	95.8	Very high	95.7	Very high	101 Å²	101	58.6 Å²	58.6	66%	0.656	32%	0.315	S	S	*	.	H	α-helix	trans	-67.3	-31.9	-176.2	26.9	-34.3	0	0	0	112.8	T528 A529	P525-T528 WeakPolarHBondContact O-CB 2.98Å; P525-T528 PolarHBondContact O-N 3.46Å; P525-A529 PolarHBondContact O-N 2.7Å
526	E	93.7	Very high	95.6	Very high	155 Å²	155	58.5 Å²	58.5	72%	0.724	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-55.5	179.5	-66.9	179.7	177.9	0	0	110.8	D524 T528 A529 E530	D524-E526 VanDerWaalsContact C-N 3.33Å; D524-E526 PolarHBondContact O-N 3.47Å; E526-T528 PolarHBondContact O-N 3.35Å; E526-A529 PolarHBondContact O-N 3.25Å; E526-A529 VanDerWaalsContact O-N 3.13Å; E526-E530 PolarHBondContact O-N 3.14Å
527	R	90.6	Very high	95.6	Very high	60 Å²	60	59.7 Å²	59.7	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-71.7	-19.8	178.7	-61.7	-169	-175.4	148.1	-8.4	113	T282 K286 Y521 D524 A531	T282-R527 PolarHBondContact OG1-NH2 3.45Å; K286-R527 HydrophobicContact CD-CB 4.42Å; Y521-R527 HydrophobicContact CD2-CB 4.02Å; Y521-R527 HydrophobicContact CE2-CB 4.37Å; Y521-R527 WeakPolarHBondContact CE2-O 3.26Å; D524-R527 WeakPolarHBondContact OD1-CB 3.28Å; D524-R527 WeakPolarHBondContact OD1-CG 3.35Å; D524-R527 PolarHBondContact OD1-N 2.91Å; D524-R527 VanDerWaalsContact OD1-N 3.12Å; D524-R527 VanDerWaalsContact OD2-CD 3.26Å; D524-R527 WeakPolarHBondContact OD2-CD 3.44Å; D524-R527 IonicContact OD2-CZ 3.87Å; D524-R527 IonicContact OD2-NE 3.29Å; D524-R527 IonicContact OD2-NH1 3.24Å; D524-R527 PolarHBondContact OD2-NH1 2.93Å; R527-A531 WeakPolarHBondContact O-CB 3.39Å; R527-A531 PolarHBondContact O-N 3.42Å
528	T	95.5	Very high	95.6	Very high	26 Å²	26	59 Å²	59	16%	0.16	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-47.9	169.6	-61.8	0	0	0	0	109.8	Y521 D524 P525 E526 E530 A531 L532	Y521-T528 PolarHBondContact N-OG1 3.09Å; D524-T528 WeakPolarHBondContact O-CB 3.38Å; D524-T528 PolarHBondContact O-N 2.92Å; D524-T528 VanDerWaalsContact O-N 3.09Å; D524-T528 PolarHBondContact O-OG1 2.94Å; P525-T528 WeakPolarHBondContact O-CB 2.98Å; P525-T528 PolarHBondContact O-N 3.46Å; E526-T528 PolarHBondContact O-N 3.35Å; T528-E530 VanDerWaalsContact C-N 3.29Å; T528-E530 PolarHBondContact O-N 3.18Å; T528-A531 PolarHBondContact O-N 2.96Å; T528-A531 VanDerWaalsContact O-N 3.12Å; T528-L532 HydrophobicContact CG2-CD1 4.17Å; T528-L532 PolarHBondContact O-N 3.23Å
529	A	95.3	Very high	95.6	Very high	69 Å²	69	61.5 Å²	61.5	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-67.1	-27.4	176.4	0	0	0	0	0	113.3	P525 E526 A531	P525-A529 PolarHBondContact O-N 2.7Å; E526-A529 PolarHBondContact O-N 3.25Å; E526-A529 VanDerWaalsContact O-N 3.13Å; A529-A531 VanDerWaalsContact C-N 3.34Å
530	E	91.8	Very high	95.4	Very high	134 Å²	134	55.8 Å²	55.8	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-68.6	-32.3	170.7	-70.7	177.8	-179.2	0	0	113	E526 T528	E526-E530 PolarHBondContact O-N 3.14Å; T528-E530 VanDerWaalsContact C-N 3.29Å; T528-E530 PolarHBondContact O-N 3.18Å
531	A	93.6	Very high	95.1	Very high	9 Å²	9	56.3 Å²	56.3	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-94.6	-34.3	-176.1	0	0	0	0	0	112.8	F518 Y521 R527 T528 A529 L538 H539	F518-A531 HydrophobicContact CZ-CB 4.28Å; Y521-A531 HydrophobicContact CE2-CB 3.87Å; R527-A531 WeakPolarHBondContact O-CB 3.39Å; R527-A531 PolarHBondContact O-N 3.42Å; T528-A531 PolarHBondContact O-N 2.96Å; T528-A531 VanDerWaalsContact O-N 3.12Å; A529-A531 VanDerWaalsContact C-N 3.34Å; A531-L538 HydrophobicContact CB-CD1 4.3Å; A531-L538 CarbonylContact O-C 3.47Å; A531-L538 VanDerWaalsContact O-CA 3.29Å; A531-L538 WeakPolarHBondContact O-CA 3.42Å; A531-H539 PolarHBondContact O-N 3.33Å
532	L	96.6	Very high	94.8	Very high	28 Å²	28	56 Å²	56	15%	0.147	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-115.5	117.7	178.5	-67.6	172.7	0	0	0	109.3	V517 F518 T528 W537 L538	V517-L532 HydrophobicContact CG1-CD2 3.48Å; V517-L532 VanDerWaalsContact CG1-CD2 3.48Å; F518-L532 HydrophobicContact CD1-CD1 3.92Å; F518-L532 HydrophobicContact CD1-CD2 4.27Å; F518-L532 HydrophobicContact CD1-CG 4.31Å; F518-L532 HydrophobicContact CE1-CD1 3.47Å; F518-L532 VanDerWaalsContact CE1-CD1 3.47Å; F518-L532 HydrophobicContact CE1-CD2 3.8Å; F518-L532 HydrophobicContact CE1-CG 3.53Å; F518-L532 HydrophobicContact CZ-CD1 4.27Å; F518-L532 HydrophobicContact CZ-CG 4.33Å; T528-L532 HydrophobicContact CG2-CD1 4.17Å; T528-L532 PolarHBondContact O-N 3.23Å; L532-W537 WeakPolarHBondContact CA-O 3.43Å; L532-L538 HydrophobicContact CD2-CB 3.83Å; L532-L538 HydrophobicContact CD2-CD1 4.22Å
533	D	96.1	Very high	94.4	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	31%	0.311	S	S	.	.			trans	-75.2	174.9	173.4	75.2	12.5	0	0	0	112.4	D535 G536 W537 H539	D533-D535 PolarHBondContact O-N 3.25Å; D533-D535 WeakPolarHBondContact OD1-CA 3.44Å; D533-D535 PolarHBondContact OD1-N 3Å; D533-G536 PolarHBondContact O-N 3.39Å; D533-G536 VanDerWaalsContact O-N 3.13Å; D533-G536 PolarHBondContact OD1-N 3.37Å; D533-W537 PolarHBondContact N-O 2.96Å; D533-W537 PolarHBondContact OD1-N 3.3Å; D533-W537 WeakPolarHBondContact OD2-CB 3.32Å; D533-H539 IonicContact OD2-NE2 2.61Å
534	S	95.3	Very high	94.3	Very high	121 Å²	121	49.9 Å²	49.9	85%	0.846	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.7	-179.7	53.1	0	0	0	0	114.2	G536	S534-G536 VanDerWaalsContact C-N 3.34Å
535	D	94.8	Very high	94.2	Very high	113 Å²	113	50.3 Å²	50.3	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	0.9	-179.8	-63.9	-26.6	0	0	0	111.8	R513 D533	R513-D535 WeakPolarHBondContact CD-O 3.23Å; D533-D535 PolarHBondContact O-N 3.25Å; D533-D535 WeakPolarHBondContact OD1-CA 3.44Å; D533-D535 PolarHBondContact OD1-N 3Å
536	G	94.9	Very high	94.3	Very high	33 Å²	33	46.6 Å²	46.6	34%	0.34	26%	0.261	S	S	.	.			trans	83.7	17.2	178.2	0	0	0	0	0	114.2	D533 S534	D533-G536 PolarHBondContact O-N 3.39Å; D533-G536 VanDerWaalsContact O-N 3.13Å; D533-G536 PolarHBondContact OD1-N 3.37Å; S534-G536 VanDerWaalsContact C-N 3.34Å
537	W	97.7	Very high	94.4	Very high	25 Å²	25	40.4 Å²	40.4	10%	0.095	23%	0.232	C	C	.	.			trans	-82.8	125.2	173.2	-64.3	94.8	0	0	0	111.4	C76 M490 K492 C511 R513 L532 D533 H539	C76-W537 VanDerWaalsContact SG-CH2 3.52Å; M490-W537 HydrophobicContact CB-CH2 3.8Å; M490-W537 HydrophobicContact CB-CZ3 4.15Å; K492-W537 HydrophobicContact CB-CE3 4.1Å; K492-W537 HydrophobicContact CB-CH2 3.82Å; K492-W537 HydrophobicContact CB-CZ2 4.46Å; K492-W537 HydrophobicContact CB-CZ3 3.61Å; K492-W537 HydrophobicContact CD-CZ2 4.39Å; C511-W537 HydrophobicContact CB-CB 4.22Å; C511-W537 HydrophobicContact CB-CD2 4.37Å; C511-W537 HydrophobicContact CB-CE3 3.81Å; R513-W537 HydrophobicContact CB-CD2 3.7Å; R513-W537 HydrophobicContact CB-CE3 3.5Å; R513-W537 VanDerWaalsContact CB-CE3 3.5Å; R513-W537 HydrophobicContact CB-CG 4.37Å; R513-W537 HydrophobicContact CB-CH2 3.94Å; R513-W537 HydrophobicContact CB-CZ2 4.15Å; R513-W537 HydrophobicContact CB-CZ3 3.63Å; L532-W537 WeakPolarHBondContact CA-O 3.43Å; D533-W537 PolarHBondContact N-O 2.96Å; D533-W537 PolarHBondContact OD1-N 3.3Å; D533-W537 WeakPolarHBondContact OD2-CB 3.32Å; W537-H539 PolarHBondContact O-N 2.87Å
538	L	98.1	Very high	94.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.1	167.8	173.4	63.5	0	0	0	110.3	E464 C465 C511 I512 V517 F518 A531 L532 T540	E464-L538 HydrophobicContact CB-CD1 3.83Å; E464-L538 HydrophobicContact CB-CD2 3.71Å; E464-L538 HydrophobicContact CB-CG 4.42Å; E464-L538 HydrophobicContact CG-CD1 4.5Å; E464-L538 WeakPolarHBondContact O-CD2 3.42Å; C465-L538 HydrophobicContact CB-CD2 3.87Å; C511-L538 CarbonylContact C-O 3.58Å; C511-L538 VanDerWaalsContact CA-O 3.23Å; C511-L538 WeakPolarHBondContact CA-O 3.46Å; I512-L538 HydrophobicContact CB-CB 4.35Å; I512-L538 HydrophobicContact CD1-CD2 4.47Å; I512-L538 PolarHBondContact N-O 3.02Å; I512-L538 WeakPolarHBondContact O-CB 3.46Å; I512-L538 PolarHBondContact O-N 2.9Å; V517-L538 HydrophobicContact CG1-CB 3.96Å; V517-L538 HydrophobicContact CG1-CD2 4.37Å; V517-L538 HydrophobicContact CG2-CB 4.34Å; F518-L538 HydrophobicContact CE1-CD1 3.85Å; F518-L538 HydrophobicContact CZ-CD1 4.41Å; A531-L538 HydrophobicContact CB-CD1 4.3Å; A531-L538 CarbonylContact O-C 3.47Å; A531-L538 VanDerWaalsContact O-CA 3.29Å; A531-L538 WeakPolarHBondContact O-CA 3.42Å; L532-L538 HydrophobicContact CD2-CB 3.83Å; L532-L538 HydrophobicContact CD2-CD1 4.22Å; L538-T540 PolarHBondContact O-N 3.36Å
539	H	96.6	Very high	94.6	Very high	58 Å²	58	43.8 Å²	43.8	27%	0.269	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.4	169.5	-71	-93.8	0	0	0	110.1	E509 C511 A531 D533 W537	E509-H539 IonicContact OE2-ND1 3.45Å; C511-H539 VanDerWaalsContact SG-CE1 3.57Å; C511-H539 PolarHBondContact SG-ND1 2.91Å; C511-H539 VanDerWaalsContact SG-ND1 3.4Å; A531-H539 PolarHBondContact O-N 3.33Å; D533-H539 IonicContact OD2-NE2 2.61Å; W537-H539 PolarHBondContact O-N 2.87Å
540	T	93.9	Very high	94.7	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-22.6	-173.4	72.4	0	0	0	0	113.1	Y460 I510 I512 L538 D542	Y460-T540 PolarHBondContact OH-OG1 3.38Å; I510-T540 HydrophobicContact CB-CG2 4.31Å; I510-T540 HydrophobicContact CG2-CG2 4.07Å; I510-T540 VanDerWaalsContact O-CG2 3.27Å; I510-T540 WeakPolarHBondContact O-CG2 3.31Å; I510-T540 PolarHBondContact O-N 2.94Å; I510-T540 VanDerWaalsContact O-N 3.08Å; I510-T540 PolarHBondContact O-OG1 3.31Å; I512-T540 HydrophobicContact CD1-CG2 3.47Å; I512-T540 VanDerWaalsContact CD1-CG2 3.47Å; I512-T540 HydrophobicContact CG1-CG2 3.8Å; L538-T540 PolarHBondContact O-N 3.36Å; T540-D542 PolarHBondContact O-N 3.28Å; T540-D542 WeakPolarHBondContact OG1-CB 3.36Å; T540-D542 PolarHBondContact OG1-N 3.17Å
541	G	90.6	Very high	94.9	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	2.6	-167.8	0	0	0	0	0	114.3	E509 R557 K558	E509-G541 WeakPolarHBondContact OE1-CA 3.34Å; E509-G541 PolarHBondContact OE1-N 3.37Å; E509-G541 VanDerWaalsContact OE1-N 3.12Å; G541-R557 CarbonylContact O-C 3.58Å; G541-K558 VanDerWaalsContact O-CB 3.28Å; G541-K558 WeakPolarHBondContact O-CB 3.27Å; G541-K558 PolarHBondContact O-N 2.9Å
542	D	90.6	Very high	95.1	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	146.3	169.1	-61	-58	0	0	0	109.5	Y460 E509 I510 T540 R557	Y460-D542 HydrophobicContact CE2-CB 4.38Å; Y460-D542 VanDerWaalsContact CE2-OD2 3.24Å; Y460-D542 WeakPolarHBondContact CE2-OD2 3.41Å; Y460-D542 WeakPolarHBondContact OH-CB 3.24Å; Y460-D542 PolarHBondContact OH-OD2 3.36Å; E509-D542 WeakPolarHBondContact CA-O 3.42Å; I510-D542 HydrophobicContact CD1-CB 4.1Å; I510-D542 PolarHBondContact N-O 3.29Å; T540-D542 PolarHBondContact O-N 3.28Å; T540-D542 WeakPolarHBondContact OG1-CB 3.36Å; T540-D542 PolarHBondContact OG1-N 3.17Å; D542-R557 VanDerWaalsContact OD1-CG 3.23Å; D542-R557 WeakPolarHBondContact OD1-CG 3.28Å; D542-R557 IonicContact OD1-CZ 3.59Å; D542-R557 VanDerWaalsContact OD1-CZ 3.28Å; D542-R557 IonicContact OD1-NE 3.4Å; D542-R557 PolarHBondContact OD1-NE 3.3Å; D542-R557 IonicContact OD1-NH2 3.65Å; D542-R557 PolarHBondContact OD1-NH2 2.82Å; D542-R557 IonicContact OD2-NH2 2.92Å
543	V	89.3	Confident	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.5	178.4	-170.5	0	0	0	0	109.3	I496 M499 Y501 G508 I555 D556	I496-V543 HydrophobicContact CD1-CG1 4.24Å; I496-V543 HydrophobicContact CD1-CG2 3.61Å; M499-V543 HydrophobicContact CE-CG2 3.92Å; Y501-V543 HydrophobicContact CD1-CG1 4.22Å; Y501-V543 HydrophobicContact CD2-CG1 3.73Å; Y501-V543 HydrophobicContact CE1-CG1 4.41Å; Y501-V543 HydrophobicContact CE2-CG1 3.93Å; Y501-V543 HydrophobicContact CG-CG1 3.88Å; G508-V543 CarbonylContact O-C 3.55Å; G508-V543 VanDerWaalsContact O-CA 3.3Å; G508-V543 WeakPolarHBondContact O-CA 3.42Å; G508-V543 VanDerWaalsContact O-CG1 3.32Å; G508-V543 WeakPolarHBondContact O-CG1 3.27Å; V543-I555 HydrophobicContact CB-CG1 4.16Å; V543-I555 HydrophobicContact CG1-CD1 3.92Å; V543-I555 HydrophobicContact CG1-CG1 3.81Å; V543-I555 WeakPolarHBondContact O-CG1 3.31Å; V543-I555 PolarHBondContact O-N 3.39Å; V543-D556 HydrophobicContact CB-CB 3.62Å; V543-D556 HydrophobicContact CG1-CB 4.32Å; V543-D556 HydrophobicContact CG2-CB 3.77Å; V543-D556 PolarHBondContact N-O 3.18Å; V543-D556 PolarHBondContact O-N 2.91Å
544	G	93.9	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.1	-176.8	0	0	0	0	0	112.9	E507 G508 R553	E507-G544 VanDerWaalsContact CA-O 3.32Å; E507-G544 WeakPolarHBondContact CA-O 3.29Å; G508-G544 PolarHBondContact N-O 3.33Å; G508-G544 PolarHBondContact O-N 2.84Å; G544-R553 CarbonylContact C-O 3.48Å; G544-R553 VanDerWaalsContact CA-O 3.23Å; G544-R553 WeakPolarHBondContact CA-O 3.39Å
545	Q	94.6	Very high	93.9	Very high	42 Å²	42	33.4 Å²	33.4	20%	0.196	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.8	170.5	-178.3	-176.9	48.5	0	0	109.4	G506 E507 R553 I555	G506-Q545 CarbonylContact O-C 2.81Å; G506-Q545 VanDerWaalsContact O-CA 3.29Å; G506-Q545 WeakPolarHBondContact O-CA 3.49Å; E507-Q545 HydrophobicContact CG-CB 4.01Å; E507-Q545 HydrophobicContact CG-CG 3.74Å; E507-Q545 PolarHBondContact OE1-NE2 2.9Å; Q545-R553 HydrophobicContact CB-CB 4.47Å; Q545-R553 PolarHBondContact N-O 3.18Å; Q545-R553 PolarHBondContact O-N 3.17Å; Q545-I555 HydrophobicContact CB-CD1 4.2Å; Q545-I555 HydrophobicContact CB-CG2 3.89Å
546	W	97.5	Very high	92.8	Very high	24 Å²	24	28.8 Å²	28.8	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.1	169	-72.9	123.1	0	0	0	110.9	S75 R77 P485 V491 G506 L552	S75-W546 PolarHBondContact O-NE1 3.17Å; R77-W546 HydrophobicContact CB-CH2 3.89Å; R77-W546 HydrophobicContact CB-CZ2 3.74Å; R77-W546 HydrophobicContact CB-CZ3 4.43Å; R77-W546 VanDerWaalsContact CD-CE2 3.49Å; R77-W546 HydrophobicContact CG-CD2 4.16Å; R77-W546 HydrophobicContact CG-CH2 4.31Å; R77-W546 HydrophobicContact CG-CZ2 3.85Å; P485-W546 HydrophobicContact CG-CH2 3.78Å; P485-W546 HydrophobicContact CG-CZ3 4.42Å; V491-W546 HydrophobicContact CB-CH2 3.96Å; V491-W546 HydrophobicContact CB-CZ2 3.87Å; V491-W546 HydrophobicContact CG1-CH2 3.99Å; V491-W546 HydrophobicContact CG1-CZ2 3.75Å; V491-W546 WeakPolarHBondContact O-CZ2 3.26Å; G506-W546 PolarHBondContact O-N 3.36Å; W546-L552 HydrophobicContact CD2-CD1 3.99Å; W546-L552 HydrophobicContact CE3-CB 4.11Å; W546-L552 HydrophobicContact CE3-CD1 3.94Å; W546-L552 HydrophobicContact CH2-CB 4.21Å; W546-L552 HydrophobicContact CH2-CD1 4.13Å; W546-L552 HydrophobicContact CZ2-CD1 4.2Å; W546-L552 HydrophobicContact CZ3-CB 3.69Å; W546-L552 HydrophobicContact CZ3-CD1 4.02Å; W546-L552 HydrophobicContact CZ3-CG 4.41Å
547	L	96.1	Very high	91.8	Very high	25 Å²	25	30.3 Å²	30.3	13%	0.131	15%	0.153	C	C	.	.			trans	-93.4	155.9	173.9	-58.1	-173.4	0	0	0	111	H481 N549 G550 T551 R553	H481-L547 HydrophobicContact CB-CD1 3.82Å; L547-N549 WeakPolarHBondContact CB-OD1 3.25Å; L547-N549 PolarHBondContact O-N 2.8Å; L547-G550 PolarHBondContact O-N 3.41Å; L547-T551 WeakPolarHBondContact CB-O 3.21Å; L547-T551 PolarHBondContact N-O 3.36Å; L547-R553 HydrophobicContact CD1-CB 4.38Å; L547-R553 HydrophobicContact CD2-CB 4.35Å; L547-R553 HydrophobicContact CG-CB 4.35Å
548	P	95	Very high	90.5	Very high	137 Å²	137	33.6 Å²	33.6	89%	0.89	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.2	-177.8	-28.1	35.6	0	0	0	114.5	G550	P548-G550 PolarHBondContact O-N 2.94Å
549	N	95.3	Very high	89	Confident	20 Å²	20	39.9 Å²	39.9	11%	0.107	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.9	178.4	71.1	-16.7	0	0	0	114.2	L63 Q64 Q66 L547 T551	L63-N549 WeakPolarHBondContact O-CB 3.11Å; Q64-N549 WeakPolarHBondContact O-CA 3.37Å; Q66-N549 PolarHBondContact N-O 3.13Å; L547-N549 WeakPolarHBondContact CB-OD1 3.25Å; L547-N549 PolarHBondContact O-N 2.8Å; N549-T551 PolarHBondContact ND2-OG1 2.94Å; N549-T551 WeakPolarHBondContact OD1-CB 3.42Å; N549-T551 PolarHBondContact OD1-N 3.42Å; N549-T551 VanDerWaalsContact OD1-N 3.15Å; N549-T551 PolarHBondContact OD1-OG1 2.84Å
550	G	95.8	Very high	87.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	79.7	17.1	-178.1	0	0	0	0	0	114.5	S67 L547 P548	S67-G550 VanDerWaalsContact CB-O 3.31Å; S67-G550 WeakPolarHBondContact CB-O 3.48Å; S67-G550 VanDerWaalsContact OG-C 3.23Å; S67-G550 WeakPolarHBondContact OG-CA 3.37Å; S67-G550 PolarHBondContact OG-O 3.33Å; L547-G550 PolarHBondContact O-N 3.41Å; P548-G550 PolarHBondContact O-N 2.94Å
551	T	97.4	Very high	85.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.			trans	-96.9	154.8	172.7	63	0	0	0	0	111.4	Q66 H481 G483 L547 N549	Q66-T551 HydrophobicContact CB-CG2 4.29Å; Q66-T551 VanDerWaalsContact CD-CG2 3.43Å; Q66-T551 HydrophobicContact CG-CG2 4.29Å; H481-T551 WeakPolarHBondContact ND1-CB 3.33Å; G483-T551 CarbonylContact O-C 3.59Å; G483-T551 WeakPolarHBondContact O-CA 3.2Å; L547-T551 WeakPolarHBondContact CB-O 3.21Å; L547-T551 PolarHBondContact N-O 3.36Å; N549-T551 PolarHBondContact ND2-OG1 2.94Å; N549-T551 WeakPolarHBondContact OD1-CB 3.42Å; N549-T551 PolarHBondContact OD1-N 3.42Å; N549-T551 VanDerWaalsContact OD1-N 3.15Å; N549-T551 PolarHBondContact OD1-OG1 2.84Å
552	L	97.2	Very high	85	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.7	178.4	-171.2	67.7	0	0	0	110.2	T470 H481 V482 G483 V491 I510 W546 I554	T470-L552 HydrophobicContact CG2-CB 4.37Å; T470-L552 HydrophobicContact CG2-CD2 3.93Å; H481-L552 CarbonylContact C-O 3.55Å; H481-L552 WeakPolarHBondContact CA-O 3.49Å; H481-L552 WeakPolarHBondContact CB-O 3.14Å; V482-L552 HydrophobicContact CG2-CB 4.14Å; V482-L552 HydrophobicContact CG2-CD2 4.41Å; V482-L552 HydrophobicContact CG2-CG 4.39Å; V482-L552 VanDerWaalsContact CG2-O 3.22Å; V482-L552 WeakPolarHBondContact CG2-O 3.36Å; V482-L552 PolarHBondContact N-O 2.95Å; G483-L552 PolarHBondContact O-N 3.28Å; V491-L552 HydrophobicContact CG1-CD2 4.22Å; I510-L552 HydrophobicContact CD1-CD2 3.89Å; I510-L552 HydrophobicContact CG1-CD2 4.26Å; I510-L552 HydrophobicContact CG2-CD2 4.42Å; W546-L552 HydrophobicContact CD2-CD1 3.99Å; W546-L552 HydrophobicContact CE3-CB 4.11Å; W546-L552 HydrophobicContact CE3-CD1 3.94Å; W546-L552 HydrophobicContact CH2-CB 4.21Å; W546-L552 HydrophobicContact CH2-CD1 4.13Å; W546-L552 HydrophobicContact CZ2-CD1 4.2Å; W546-L552 HydrophobicContact CZ3-CB 3.69Å; W546-L552 HydrophobicContact CZ3-CD1 4.02Å; W546-L552 HydrophobicContact CZ3-CG 4.41Å; L552-I554 HydrophobicContact CD2-CD1 4.23Å
553	R	93.1	Very high	83.8	Confident	90 Å²	90	46 Å²	46	34%	0.34	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.3	168.4	175.8	-177	-66.5	154.6	-1.9	109.3	G480 G544 Q545 L547 I555	G480-R553 WeakPolarHBondContact O-CG 3.43Å; G480-R553 PolarHBondContact O-NE 3.36Å; G544-R553 CarbonylContact C-O 3.48Å; G544-R553 VanDerWaalsContact CA-O 3.23Å; G544-R553 WeakPolarHBondContact CA-O 3.39Å; Q545-R553 HydrophobicContact CB-CB 4.47Å; Q545-R553 PolarHBondContact N-O 3.18Å; Q545-R553 PolarHBondContact O-N 3.17Å; L547-R553 HydrophobicContact CD1-CB 4.38Å; L547-R553 HydrophobicContact CD2-CB 4.35Å; L547-R553 HydrophobicContact CG-CB 4.35Å; R553-I555 HydrophobicContact CB-CG2 4.46Å; R553-I555 HydrophobicContact CG-CG2 3.76Å
554	I	87.8	Confident	82.8	Confident	54 Å²	54	46.1 Å²	46.1	28%	0.277	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.9	168.3	-48.7	-55.7	0	0	0	107.7	Y460 V482 I510 L552	Y460-I554 HydrophobicContact CD1-CD1 4.08Å; Y460-I554 HydrophobicContact CD2-CD1 3.78Å; Y460-I554 HydrophobicContact CD2-CG1 3.97Å; Y460-I554 HydrophobicContact CE1-CD1 4.14Å; Y460-I554 HydrophobicContact CE2-CD1 3.84Å; Y460-I554 HydrophobicContact CE2-CG1 4.32Å; Y460-I554 HydrophobicContact CG-CD1 3.91Å; Y460-I554 HydrophobicContact CG-CG1 4.3Å; V482-I554 HydrophobicContact CG1-CG1 3.95Å; V482-I554 HydrophobicContact CG2-CD1 3.96Å; V482-I554 HydrophobicContact CG2-CG1 3.92Å; I510-I554 HydrophobicContact CD1-CD1 3.35Å; L552-I554 HydrophobicContact CD2-CD1 4.23Å
555	I	81.6	Confident	81.3	Confident	47 Å²	47	49.8 Å²	49.8	24%	0.241	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-25.4	-177.2	58.2	168.3	0	0	0	112.3	Y501 E507 V543 Q545 R553	Y501-I555 HydrophobicContact CD1-CD1 3.97Å; Y501-I555 HydrophobicContact CE1-CD1 3.49Å; Y501-I555 VanDerWaalsContact CE1-CD1 3.49Å; E507-I555 HydrophobicContact CG-CD1 4.35Å; V543-I555 HydrophobicContact CB-CG1 4.16Å; V543-I555 HydrophobicContact CG1-CD1 3.92Å; V543-I555 HydrophobicContact CG1-CG1 3.81Å; V543-I555 WeakPolarHBondContact O-CG1 3.31Å; V543-I555 PolarHBondContact O-N 3.39Å; Q545-I555 HydrophobicContact CB-CD1 4.2Å; Q545-I555 HydrophobicContact CB-CG2 3.89Å; R553-I555 HydrophobicContact CB-CG2 4.46Å; R553-I555 HydrophobicContact CG-CG2 3.76Å
556	D	72.3	Confident	79.5	Confident	16 Å²	16	51.7 Å²	51.7	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	179.1	-175.4	-136.2	-24.9	0	0	0	114.8	Y501 V543 I561 A571	Y501-D556 HydrophobicContact CE2-CB 4.41Å; Y501-D556 PolarHBondContact OH-OD2 3.19Å; Y501-D556 VanDerWaalsContact OH-OD2 3.05Å; V543-D556 HydrophobicContact CB-CB 3.62Å; V543-D556 HydrophobicContact CG1-CB 4.32Å; V543-D556 HydrophobicContact CG2-CB 3.77Å; V543-D556 PolarHBondContact N-O 3.18Å; V543-D556 PolarHBondContact O-N 2.91Å; D556-I561 HydrophobicContact CB-CD1 4Å; D556-I561 WeakPolarHBondContact OD1-CD1 3.22Å; D556-I561 WeakPolarHBondContact OD1-CG1 3.37Å; D556-I561 VanDerWaalsContact OD2-CD1 3.23Å; D556-I561 WeakPolarHBondContact OD2-CD1 3.41Å; D556-A571 WeakPolarHBondContact OD1-CB 3.29Å
557	R	74.4	Confident	77	Confident	65 Å²	65	51.9 Å²	51.9	25%	0.245	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	112.2	174.3	-82.3	-170.1	159.5	-153.5	-18	112.8	G541 D542 K559 H560 I561	G541-R557 CarbonylContact O-C 3.58Å; D542-R557 VanDerWaalsContact OD1-CG 3.23Å; D542-R557 WeakPolarHBondContact OD1-CG 3.28Å; D542-R557 IonicContact OD1-CZ 3.59Å; D542-R557 VanDerWaalsContact OD1-CZ 3.28Å; D542-R557 IonicContact OD1-NE 3.4Å; D542-R557 PolarHBondContact OD1-NE 3.3Å; D542-R557 IonicContact OD1-NH2 3.65Å; D542-R557 PolarHBondContact OD1-NH2 2.82Å; D542-R557 IonicContact OD2-NH2 2.92Å; R557-K559 PolarHBondContact O-N 3.24Å; R557-H560 HydrophobicContact CB-CB 3.81Å; R557-H560 PolarHBondContact O-N 2.94Å; R557-I561 VanDerWaalsContact C-CD1 3.48Å; R557-I561 WeakPolarHBondContact O-CD1 3.18Å; R557-I561 WeakPolarHBondContact O-CG1 3.42Å; R557-I561 PolarHBondContact O-N 3.49Å
558	K	69.4	Low	75.5	Confident	94 Å²	94	54.5 Å²	54.5	41%	0.409	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-37.5	-177.7	-167.2	177.7	-174.5	177.8	0	113.8	M499 E509 G541	M499-K558 HydrophobicContact SD-CG 4.22Å; E509-K558 IonicContact OE1-NZ 3.97Å; E509-K558 IonicContact OE2-NZ 3.65Å; E509-K558 PolarHBondContact OE2-NZ 2.96Å; G541-K558 VanDerWaalsContact O-CB 3.28Å; G541-K558 WeakPolarHBondContact O-CB 3.27Å; G541-K558 PolarHBondContact O-N 2.9Å
559	K	66	Low	74	Confident	134 Å²	134	50.8 Å²	50.8	58%	0.583	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.6	-177.7	-66.4	-177.9	177.9	175.4	0	115.4	T281 R557	T281-K559 HydrophobicContact CG2-CB 4.34Å; T281-K559 HydrophobicContact CG2-CD 4.15Å; R557-K559 PolarHBondContact O-N 3.24Å
560	H	63.1	Low	72.9	Confident	61 Å²	61	49.9 Å²	49.9	28%	0.282	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	10.1	-172.7	-73.6	-127.4	0	0	0	113.3	R557 P572 E573	R557-H560 HydrophobicContact CB-CB 3.81Å; R557-H560 PolarHBondContact O-N 2.94Å; H560-P572 WeakPolarHBondContact O-CD 3.2Å; H560-P572 WeakPolarHBondContact O-CG 3.44Å; H560-E573 IonicContact ND1-OE1 2.7Å
561	I	63.4	Low	72	Confident	29 Å²	29	50.5 Å²	50.5	15%	0.149	24%	0.242	C	C	.	.			trans	-97.2	146.2	175.5	-63.3	154.3	0	0	0	108.9	M499 D556 R557 Y569 V570	M499-I561 HydrophobicContact CE-CD1 3.11Å; M499-I561 HydrophobicContact SD-CD1 4.09Å; D556-I561 HydrophobicContact CB-CD1 4Å; D556-I561 WeakPolarHBondContact OD1-CD1 3.22Å; D556-I561 WeakPolarHBondContact OD1-CG1 3.37Å; D556-I561 VanDerWaalsContact OD2-CD1 3.23Å; D556-I561 WeakPolarHBondContact OD2-CD1 3.41Å; R557-I561 VanDerWaalsContact C-CD1 3.48Å; R557-I561 WeakPolarHBondContact O-CD1 3.18Å; R557-I561 WeakPolarHBondContact O-CG1 3.42Å; R557-I561 PolarHBondContact O-N 3.49Å; I561-Y569 HydrophobicContact CG2-CD1 3.63Å; I561-Y569 HydrophobicContact CG2-CG 4.19Å; I561-V570 WeakPolarHBondContact CG2-O 3.44Å
562	F	70.4	Confident	71.4	Confident	34 Å²	34	50.6 Å²	50.6	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143	162.8	45.7	-99.3	0	0	0	108.8	L564 V570 P572 V590 G592 V599	F562-L564 HydrophobicContact CD2-CD2 4Å; F562-L564 HydrophobicContact CE2-CD2 4.13Å; F562-V570 HydrophobicContact CD2-CB 3.91Å; F562-V570 HydrophobicContact CD2-CG1 4.48Å; F562-V570 HydrophobicContact CE2-CB 3.34Å; F562-V570 HydrophobicContact CE2-CG1 3.49Å; F562-V570 VanDerWaalsContact CE2-CG1 3.49Å; F562-V570 HydrophobicContact CE2-CG2 4.1Å; F562-V570 HydrophobicContact CZ-CB 3.99Å; F562-V570 HydrophobicContact CZ-CG1 3.66Å; F562-V570 PolarHBondContact N-O 3.22Å; F562-V570 PolarHBondContact O-N 3.39Å; F562-P572 HydrophobicContact CE1-CB 3.83Å; F562-P572 HydrophobicContact CE1-CG 3.84Å; F562-P572 HydrophobicContact CZ-CB 4.2Å; F562-V590 HydrophobicContact CZ-CG1 4.41Å; F562-G592 VanDerWaalsContact CD2-CA 3.45Å; F562-G592 VanDerWaalsContact CE1-N 3.26Å; F562-G592 VanDerWaalsContact CZ-CA 3.49Å; F562-G592 VanDerWaalsContact CZ-N 3.28Å; F562-V599 HydrophobicContact CE2-CG1 3.37Å; F562-V599 HydrophobicContact CZ-CG1 3.64Å
563	K	66.1	Low	70.5	Confident	94 Å²	94	53.1 Å²	53.1	41%	0.409	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130.6	169.8	-171.7	-179.1	-167.6	155.1	0	107.5	G567 E568 Y569 S594	K563-G567 VanDerWaalsContact CE-CA 3.44Å; K563-G567 WeakPolarHBondContact CE-O 3.24Å; K563-E568 CarbonylContact C-O 3.53Å; K563-E568 WeakPolarHBondContact CA-O 3.38Å; K563-Y569 HydrophobicContact CB-CD1 4.12Å; K563-Y569 HydrophobicContact CB-CE1 3.89Å; K563-Y569 HydrophobicContact CD-CE1 4.17Å; K563-Y569 HydrophobicContact CD-CE2 4.13Å; K563-Y569 HydrophobicContact CG-CD1 4.46Å; K563-Y569 HydrophobicContact CG-CE1 4.13Å; K563-Y569 HydrophobicContact CG-CE2 4.2Å; K563-Y569 PolarHBondContact NZ-OH 3.2Å; K563-S594 WeakPolarHBondContact O-CA 3.47Å; K563-S594 VanDerWaalsContact O-CB 3.32Å; K563-S594 WeakPolarHBondContact O-CB 3.49Å
564	L	68.9	Low	69.9	Low	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.259	C	S	.	.			trans	-82.4	167.6	172.4	-62.5	178.5	0	0	0	110.6	F562 Q566 G567 E568 V570 Q596 V599 F652	F562-L564 HydrophobicContact CD2-CD2 4Å; F562-L564 HydrophobicContact CE2-CD2 4.13Å; L564-Q566 PolarHBondContact O-N 3.23Å; L564-G567 WeakPolarHBondContact O-CA 3.42Å; L564-G567 PolarHBondContact O-N 3.2Å; L564-E568 PolarHBondContact N-O 2.89Å; L564-V570 HydrophobicContact CD1-CG2 3.66Å; L564-V570 HydrophobicContact CG-CG2 3.98Å; L564-Q596 WeakPolarHBondContact CA-O 3.3Å; L564-Q596 WeakPolarHBondContact CB-O 3.25Å; L564-V599 HydrophobicContact CD1-CG1 4.47Å; L564-V599 HydrophobicContact CD2-CG1 4.24Å; L564-F652 HydrophobicContact CD1-CB 4.19Å; L564-F652 HydrophobicContact CD1-CD2 4.45Å
565	C	62.3	Low	69.8	Low	76 Å²	76	50.8 Å²	50.8	51%	0.514	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.9	-173.6	68.6	0	0	0	0	114.1	G567 S594 Q596	C565-G567 PolarHBondContact O-N 3.49Å; C565-S594 VanDerWaalsContact CA-O 3.32Å; C565-S594 WeakPolarHBondContact CA-O 3.41Å; C565-S594 WeakPolarHBondContact CB-O 3.3Å; C565-S594 PolarHBondContact N-O 3.44Å; C565-Q596 PolarHBondContact N-O 3.19Å; C565-Q596 VanDerWaalsContact SG-C 3.53Å
566	Q	55.5	Low	70.2	Confident	82 Å²	82	49.2 Å²	49.2	38%	0.383	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.5	172.4	66.6	-89.1	22	0	0	114	L564 E568 S597	L564-Q566 PolarHBondContact O-N 3.23Å; Q566-E568 HydrophobicContact CG-CB 3.98Å; Q566-E568 HydrophobicContact CG-CG 3.64Å; Q566-S597 PolarHBondContact NE2-O 2.93Å
567	G	46.5	Very low	70.6	Confident	29 Å²	29	50.8 Å²	50.8	30%	0.299	25%	0.245	S	C	.	.	S	Bend	trans	88.7	-0.7	178.9	0	0	0	0	0	115.4	K563 L564 C565	K563-G567 VanDerWaalsContact CE-CA 3.44Å; K563-G567 WeakPolarHBondContact CE-O 3.24Å; L564-G567 WeakPolarHBondContact O-CA 3.42Å; L564-G567 PolarHBondContact O-N 3.2Å; C565-G567 PolarHBondContact O-N 3.49Å
568	E	63.3	Low	71	Confident	79 Å²	79	48.2 Å²	48.2	37%	0.369	24%	0.237	S	C	.	.			trans	-73.6	135.9	175.7	-67.3	-66.6	159.4	0	0	111.2	K563 L564 Q566 F652	K563-E568 CarbonylContact C-O 3.53Å; K563-E568 WeakPolarHBondContact CA-O 3.38Å; L564-E568 PolarHBondContact N-O 2.89Å; Q566-E568 HydrophobicContact CG-CB 3.98Å; Q566-E568 HydrophobicContact CG-CG 3.64Å; E568-F652 HydrophobicContact CB-CD2 4.07Å; E568-F652 HydrophobicContact CB-CE1 4.4Å; E568-F652 HydrophobicContact CB-CE2 3.94Å; E568-F652 HydrophobicContact CB-CG 4.36Å; E568-F652 HydrophobicContact CB-CZ 4.08Å; E568-F652 HydrophobicContact CG-CD1 4.1Å; E568-F652 HydrophobicContact CG-CD2 4.49Å; E568-F652 HydrophobicContact CG-CE1 3.91Å; E568-F652 HydrophobicContact CG-CE2 4.35Å; E568-F652 HydrophobicContact CG-CG 4.36Å; E568-F652 HydrophobicContact CG-CZ 4.02Å; E568-F652 VanDerWaalsContact OE2-CZ 3.26Å; E568-F652 WeakPolarHBondContact OE2-CZ 3.29Å
569	Y	65	Low	72.1	Confident	60 Å²	60	43.8 Å²	43.8	24%	0.235	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.4	175.3	-71.8	-94.2	0	0	0	109.8	D498 M499 I561 K563	D498-Y569 WeakPolarHBondContact O-CE2 3.46Å; D498-Y569 PolarHBondContact O-OH 2.91Å; M499-Y569 HydrophobicContact CG-CD1 4.17Å; M499-Y569 HydrophobicContact CG-CE1 3.93Å; I561-Y569 HydrophobicContact CG2-CD1 3.63Å; I561-Y569 HydrophobicContact CG2-CG 4.19Å; K563-Y569 HydrophobicContact CB-CD1 4.12Å; K563-Y569 HydrophobicContact CB-CE1 3.89Å; K563-Y569 HydrophobicContact CD-CE1 4.17Å; K563-Y569 HydrophobicContact CD-CE2 4.13Å; K563-Y569 HydrophobicContact CG-CD1 4.46Å; K563-Y569 HydrophobicContact CG-CE1 4.13Å; K563-Y569 HydrophobicContact CG-CE2 4.2Å; K563-Y569 PolarHBondContact NZ-OH 3.2Å
570	V	70.6	Confident	73.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123	-177.6	176.1	0	0	0	0	111	I561 F562 L564 P572 I575 V599 F652	I561-V570 WeakPolarHBondContact CG2-O 3.44Å; F562-V570 HydrophobicContact CD2-CB 3.91Å; F562-V570 HydrophobicContact CD2-CG1 4.48Å; F562-V570 HydrophobicContact CE2-CB 3.34Å; F562-V570 HydrophobicContact CE2-CG1 3.49Å; F562-V570 VanDerWaalsContact CE2-CG1 3.49Å; F562-V570 HydrophobicContact CE2-CG2 4.1Å; F562-V570 HydrophobicContact CZ-CB 3.99Å; F562-V570 HydrophobicContact CZ-CG1 3.66Å; F562-V570 PolarHBondContact N-O 3.22Å; F562-V570 PolarHBondContact O-N 3.39Å; L564-V570 HydrophobicContact CD1-CG2 3.66Å; L564-V570 HydrophobicContact CG-CG2 3.98Å; V570-P572 WeakPolarHBondContact O-CD 3.45Å; V570-I575 HydrophobicContact CG1-CD1 3.3Å; V570-V599 HydrophobicContact CG1-CG1 4.06Å; V570-F652 HydrophobicContact CG2-CD2 3.77Å; V570-F652 HydrophobicContact CG2-CE2 4.04Å
571	A	78.1	Confident	74.1	Confident	13 Å²	13	41.5 Å²	41.5	11%	0.107	21%	0.205	C	C	.	.			trans	-88.4	100.1	172.3	0	0	0	0	0	109.7	D556 E573 K574	D556-A571 WeakPolarHBondContact OD1-CB 3.29Å; A571-E573 VanDerWaalsContact C-N 3.31Å; A571-E573 PolarHBondContact O-N 2.97Å; A571-K574 HydrophobicContact CB-CB 4.12Å; A571-K574 WeakPolarHBondContact O-CB 3.44Å; A571-K574 PolarHBondContact O-N 3.12Å
572	P	84.8	Confident	75.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.013	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-34.5	-174.1	25.8	-34.9	0	0	0	112.9	H560 F562 V570 K574 I575 E576 V590	H560-P572 WeakPolarHBondContact O-CD 3.2Å; H560-P572 WeakPolarHBondContact O-CG 3.44Å; F562-P572 HydrophobicContact CE1-CB 3.83Å; F562-P572 HydrophobicContact CE1-CG 3.84Å; F562-P572 HydrophobicContact CZ-CB 4.2Å; V570-P572 WeakPolarHBondContact O-CD 3.45Å; P572-K574 VanDerWaalsContact C-N 3.28Å; P572-K574 PolarHBondContact O-N 3.39Å; P572-I575 WeakPolarHBondContact O-CB 3.42Å; P572-I575 PolarHBondContact O-N 3.37Å; P572-I575 VanDerWaalsContact O-N 3.1Å; P572-E576 WeakPolarHBondContact O-CB 3.35Å; P572-E576 WeakPolarHBondContact O-CG 3.47Å; P572-E576 PolarHBondContact O-N 3.17Å; P572-V590 HydrophobicContact CB-CB 3.98Å; P572-V590 HydrophobicContact CB-CG1 4.15Å
573	E	78.8	Confident	76.3	Confident	54 Å²	54	42.9 Å²	42.9	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-62.9	-35	179.9	-65.7	-177.5	-171	0	0	111.8	H560 A571 I575 N577	H560-E573 IonicContact ND1-OE1 2.7Å; A571-E573 VanDerWaalsContact C-N 3.31Å; A571-E573 PolarHBondContact O-N 2.97Å; E573-I575 VanDerWaalsContact C-N 3.35Å; E573-N577 WeakPolarHBondContact O-CB 3.21Å; E573-N577 VanDerWaalsContact O-CG 3.3Å; E573-N577 PolarHBondContact O-N 3.06Å; E573-N577 PolarHBondContact O-ND2 3.35Å
574	K	78.8	Confident	77.5	Confident	95 Å²	95	38.4 Å²	38.4	41%	0.413	20%	0.198	S	C	.	.	H	α-helix	trans	-59.2	-48.1	172.9	176.3	-168.9	168.3	-163.5	0	110.7	A571 P572 V578 E653	A571-K574 HydrophobicContact CB-CB 4.12Å; A571-K574 WeakPolarHBondContact O-CB 3.44Å; A571-K574 PolarHBondContact O-N 3.12Å; P572-K574 VanDerWaalsContact C-N 3.28Å; P572-K574 PolarHBondContact O-N 3.39Å; K574-V578 WeakPolarHBondContact O-CG2 3.46Å; K574-V578 PolarHBondContact O-N 2.92Å; K574-E653 IonicContact NZ-OE1 3.91Å; K574-E653 PolarHBondContact NZ-OE1 2.8Å; K574-E653 IonicContact NZ-OE2 2.79Å; K574-E653 PolarHBondContact NZ-OE2 3Å
575	I	87.3	Confident	78.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-45.7	-178.4	-61	167.7	0	0	0	110.4	V570 P572 E573 N577 V578 Y579 V590 V599 L649 E653	V570-I575 HydrophobicContact CG1-CD1 3.3Å; P572-I575 WeakPolarHBondContact O-CB 3.42Å; P572-I575 PolarHBondContact O-N 3.37Å; P572-I575 VanDerWaalsContact O-N 3.1Å; E573-I575 VanDerWaalsContact C-N 3.35Å; I575-N577 VanDerWaalsContact C-N 3.35Å; I575-N577 PolarHBondContact O-N 3.27Å; I575-V578 WeakPolarHBondContact O-CB 3.11Å; I575-V578 PolarHBondContact O-N 2.99Å; I575-V578 VanDerWaalsContact O-N 3.1Å; I575-Y579 HydrophobicContact CG2-CD2 3.54Å; I575-Y579 HydrophobicContact CG2-CE2 3.13Å; I575-Y579 PolarHBondContact O-N 3.44Å; I575-V590 HydrophobicContact CB-CG2 4.2Å; I575-V590 HydrophobicContact CD1-CG1 4.26Å; I575-V590 HydrophobicContact CG2-CG1 4.4Å; I575-V590 HydrophobicContact CG2-CG2 3.76Å; I575-V599 HydrophobicContact CD1-CG2 4.5Å; I575-L649 HydrophobicContact CG1-CD2 4.34Å; I575-L649 HydrophobicContact CG2-CD1 4.06Å; I575-E653 HydrophobicContact CD1-CB 3.82Å; I575-E653 HydrophobicContact CD1-CG 4.26Å; I575-E653 WeakPolarHBondContact CD1-O 3.49Å; I575-E653 HydrophobicContact CG1-CB 4.04Å; I575-E653 WeakPolarHBondContact CG2-O 3.44Å
576	E	90.1	Very high	80.1	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-47	178.1	-71.4	164.1	178.6	0	0	111.5	P572 V578 Y579 M580 V588 F589 V590 R680	P572-E576 WeakPolarHBondContact O-CB 3.35Å; P572-E576 WeakPolarHBondContact O-CG 3.47Å; P572-E576 PolarHBondContact O-N 3.17Å; E576-V578 PolarHBondContact O-N 3.13Å; E576-Y579 PolarHBondContact O-N 3.3Å; E576-M580 WeakPolarHBondContact O-CG 3.43Å; E576-M580 PolarHBondContact O-N 2.92Å; E576-V588 HydrophobicContact CB-CG1 3.83Å; E576-V588 HydrophobicContact CG-CG1 4.08Å; E576-V588 WeakPolarHBondContact O-CG1 3.37Å; E576-F589 WeakPolarHBondContact OE1-CA 3.44Å; E576-V590 HydrophobicContact CG-CB 3.94Å; E576-V590 HydrophobicContact CG-CG2 3.6Å; E576-V590 PolarHBondContact OE1-N 3.17Å; E576-R680 IonicContact OE1-CZ 2.98Å; E576-R680 VanDerWaalsContact OE1-CZ 3.29Å; E576-R680 IonicContact OE1-NH1 2.65Å; E576-R680 PolarHBondContact OE1-NH1 3.41Å; E576-R680 IonicContact OE1-NH2 2.66Å; E576-R680 PolarHBondContact OE1-NH2 2.95Å; E576-R680 IonicContact OE2-CZ 3.62Å; E576-R680 IonicContact OE2-NH1 3.38Å; E576-R680 PolarHBondContact OE2-NH1 2.85Å
577	N	79.4	Confident	81.9	Confident	48 Å²	48	34 Å²	34	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-64.8	-26.2	178.3	-73.9	-49.2	0	0	0	114.1	P439 E573 I575	P439-N577 WeakPolarHBondContact CG-ND2 3.3Å; E573-N577 WeakPolarHBondContact O-CB 3.21Å; E573-N577 VanDerWaalsContact O-CG 3.3Å; E573-N577 PolarHBondContact O-N 3.06Å; E573-N577 PolarHBondContact O-ND2 3.35Å; I575-N577 VanDerWaalsContact C-N 3.35Å; I575-N577 PolarHBondContact O-N 3.27Å
578	V	82.8	Confident	84.3	Confident	12 Å²	12	33 Å²	33	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-75.2	-49.4	173.5	168.1	0	0	0	0	109.9	K574 I575 E576 M580 R581 V643 A647 L649	K574-V578 WeakPolarHBondContact O-CG2 3.46Å; K574-V578 PolarHBondContact O-N 2.92Å; I575-V578 WeakPolarHBondContact O-CB 3.11Å; I575-V578 PolarHBondContact O-N 2.99Å; I575-V578 VanDerWaalsContact O-N 3.1Å; E576-V578 PolarHBondContact O-N 3.13Å; V578-M580 VanDerWaalsContact C-N 3.27Å; V578-M580 PolarHBondContact O-N 3.24Å; V578-R581 WeakPolarHBondContact O-CB 3.24Å; V578-R581 WeakPolarHBondContact O-CG 3.4Å; V578-R581 PolarHBondContact O-N 3.31Å; V578-R581 VanDerWaalsContact O-N 3.11Å; V578-V643 HydrophobicContact CG1-CG1 4.14Å; V578-V643 WeakPolarHBondContact O-CG1 3.42Å; V578-A647 HydrophobicContact CB-CB 4.36Å; V578-A647 HydrophobicContact CG1-CB 3.45Å; V578-A647 VanDerWaalsContact CG1-CB 3.45Å; V578-A647 HydrophobicContact CG2-CB 3.95Å; V578-L649 HydrophobicContact CB-CD1 4.11Å; V578-L649 HydrophobicContact CB-CG 4.46Å; V578-L649 HydrophobicContact CG1-CD1 3.81Å; V578-L649 HydrophobicContact CG1-CG 4.11Å; V578-L649 HydrophobicContact CG2-CD2 4.19Å; V578-L649 HydrophobicContact CG2-CG 4.44Å
579	Y	93.1	Very high	85.8	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-68.1	-24.7	-178.6	-68.9	-33.1	0	0	0	114.4	I575 E576 R581 S582 V588 V590 M640 L649 Q654 V655	I575-Y579 HydrophobicContact CG2-CD2 3.54Å; I575-Y579 HydrophobicContact CG2-CE2 3.13Å; I575-Y579 PolarHBondContact O-N 3.44Å; E576-Y579 PolarHBondContact O-N 3.3Å; Y579-R581 PolarHBondContact O-N 2.77Å; Y579-S582 WeakPolarHBondContact O-CB 3.37Å; Y579-S582 PolarHBondContact O-N 3.27Å; Y579-V588 HydrophobicContact CD2-CG2 4.43Å; Y579-V590 HydrophobicContact CD2-CG2 4.39Å; Y579-M640 HydrophobicContact CD1-CB 3.82Å; Y579-M640 HydrophobicContact CD1-CE 4.09Å; Y579-M640 HydrophobicContact CD1-CG 4.31Å; Y579-M640 WeakPolarHBondContact CD1-O 3.31Å; Y579-M640 HydrophobicContact CD2-CE 3.43Å; Y579-M640 VanDerWaalsContact CD2-CE 3.43Å; Y579-M640 HydrophobicContact CE1-CB 4.03Å; Y579-M640 WeakPolarHBondContact CE1-O 3.46Å; Y579-M640 HydrophobicContact CE2-CE 3.93Å; Y579-M640 HydrophobicContact CG-CB 4.38Å; Y579-M640 HydrophobicContact CG-CE 3.51Å; Y579-M640 HydrophobicContact CG-CG 4.46Å; Y579-L649 HydrophobicContact CE1-CD1 4.03Å; Y579-Q654 VanDerWaalsContact OH-CA 3.27Å; Y579-Q654 WeakPolarHBondContact OH-CA 3.38Å; Y579-Q654 PolarHBondContact OH-OE1 3.23Å; Y579-V655 HydrophobicContact CD2-CG2 4.36Å; Y579-V655 HydrophobicContact CE2-CB 3.93Å; Y579-V655 HydrophobicContact CE2-CG2 3.51Å; Y579-V655 PolarHBondContact OH-N 2.99Å
580	M	88.3	Confident	87.2	Confident	40 Å²	40	26.6 Å²	26.6	20%	0.197	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.2	169.8	-81.9	-52	-46	0	0	114.4	E576 V578 V585 L586 Q587 V588	E576-M580 WeakPolarHBondContact O-CG 3.43Å; E576-M580 PolarHBondContact O-N 2.92Å; V578-M580 VanDerWaalsContact C-N 3.27Å; V578-M580 PolarHBondContact O-N 3.24Å; M580-V585 HydrophobicContact SD-CG1 3.97Å; M580-L586 VanDerWaalsContact CE-C 3.4Å; M580-L586 WeakPolarHBondContact CE-O 3.45Å; M580-L586 VanDerWaalsContact SD-C 3.58Å; M580-L586 VanDerWaalsContact SD-O 3.37Å; M580-Q587 VanDerWaalsContact SD-CA 3.55Å; M580-V588 HydrophobicContact CG-CG1 4Å; M580-V588 HydrophobicContact SD-CG1 4.05Å
581	R	83.3	Confident	88.2	Confident	107 Å²	107	27.2 Å²	27.2	40%	0.404	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.9	174.3	-53.2	175.3	-163.6	173.6	6.7	113.3	V578 Y579 V583 V643	V578-R581 WeakPolarHBondContact O-CB 3.24Å; V578-R581 WeakPolarHBondContact O-CG 3.4Å; V578-R581 PolarHBondContact O-N 3.31Å; V578-R581 VanDerWaalsContact O-N 3.11Å; Y579-R581 PolarHBondContact O-N 2.77Å; R581-V583 PolarHBondContact O-N 2.78Å; R581-V643 HydrophobicContact CB-CG1 3.98Å
582	S	88.9	Confident	88.6	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.014	13%	0.133	C	C	.	.	S	Bend	trans	-69.6	124.4	175.1	176.2	0	0	0	0	108.6	Y579 P584 V585 D639	Y579-S582 WeakPolarHBondContact O-CB 3.37Å; Y579-S582 PolarHBondContact O-N 3.27Å; S582-P584 VanDerWaalsContact C-CD 3.42Å; S582-P584 VanDerWaalsContact C-N 3.34Å; S582-P584 WeakPolarHBondContact OG-CD 3.46Å; S582-V585 WeakPolarHBondContact O-CB 3.43Å; S582-V585 PolarHBondContact O-N 2.79Å; S582-D639 WeakPolarHBondContact CB-OD2 3.46Å; S582-D639 PolarHBondContact OG-OD2 2.77Å
583	V	89.6	Confident	88.2	Confident	89 Å²	89	28.8 Å²	28.8	54%	0.539	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-43.6	-174.7	177.9	0	0	0	0	114	R581 V585 V609 W613	R581-V583 PolarHBondContact O-N 2.78Å; V583-V585 PolarHBondContact O-N 3.27Å; V583-V609 HydrophobicContact CG1-CG2 4.45Å; V583-V609 WeakPolarHBondContact O-CG2 3.48Å; V583-W613 HydrophobicContact CG1-CG 4.47Å
584	P	93.1	Very high	87.8	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.6	-179.5	29.5	-37	0	0	0	114.1	S582 P605 D606 F610 W613 V636	S582-P584 VanDerWaalsContact C-CD 3.42Å; S582-P584 VanDerWaalsContact C-N 3.34Å; S582-P584 WeakPolarHBondContact OG-CD 3.46Å; P584-P605 CarbonylContact O-C 3.47Å; P584-P605 WeakPolarHBondContact O-CA 3.17Å; P584-P605 WeakPolarHBondContact O-CB 3.43Å; P584-D606 PolarHBondContact O-N 3.43Å; P584-F610 HydrophobicContact CB-CD2 3.68Å; P584-F610 HydrophobicContact CB-CE2 4.07Å; P584-W613 HydrophobicContact CB-CD2 3.82Å; P584-W613 HydrophobicContact CB-CE3 3.91Å; P584-W613 HydrophobicContact CB-CG 4.34Å; P584-W613 HydrophobicContact CB-CH2 4.35Å; P584-W613 HydrophobicContact CB-CZ2 4.22Å; P584-W613 HydrophobicContact CB-CZ3 4.19Å; P584-W613 HydrophobicContact CG-CD2 4.12Å; P584-W613 HydrophobicContact CG-CE3 4.41Å; P584-W613 HydrophobicContact CG-CH2 4.04Å; P584-W613 HydrophobicContact CG-CZ2 3.66Å; P584-W613 HydrophobicContact CG-CZ3 4.38Å; P584-V636 HydrophobicContact CB-CG2 4.17Å; P584-V636 HydrophobicContact CG-CG1 4.2Å; P584-V636 HydrophobicContact CG-CG2 4.13Å
585	V	94.6	Very high	87.3	Confident	7 Å²	7	32 Å²	32	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.5	-167.1	178.8	0	0	0	0	112.1	M580 S582 V583 V588 V603 V636 M640	M580-V585 HydrophobicContact SD-CG1 3.97Å; S582-V585 WeakPolarHBondContact O-CB 3.43Å; S582-V585 PolarHBondContact O-N 2.79Å; V583-V585 PolarHBondContact O-N 3.27Å; V585-V588 HydrophobicContact CG1-CB 4.15Å; V585-V588 HydrophobicContact CG1-CG1 4.45Å; V585-V603 HydrophobicContact CB-CG1 4.48Å; V585-V603 HydrophobicContact CG1-CG1 4.19Å; V585-V603 HydrophobicContact CG2-CG1 3.91Å; V585-V636 HydrophobicContact CG2-CG1 4.34Å; V585-M640 HydrophobicContact CG2-CG 3.93Å; V585-M640 HydrophobicContact CG2-SD 3.97Å
586	L	90.9	Very high	87	Confident	48 Å²	48	34.6 Å²	34.6	25%	0.251	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-35.8	173.5	-178.4	63.4	0	0	0	113.6	M580 V604 D606 M664	M580-L586 VanDerWaalsContact CE-C 3.4Å; M580-L586 WeakPolarHBondContact CE-O 3.45Å; M580-L586 VanDerWaalsContact SD-C 3.58Å; M580-L586 VanDerWaalsContact SD-O 3.37Å; L586-V604 WeakPolarHBondContact CA-O 3.36Å; L586-V604 WeakPolarHBondContact CB-O 3.43Å; L586-V604 PolarHBondContact N-O 3.44Å; L586-D606 HydrophobicContact CB-CB 3.85Å; L586-D606 HydrophobicContact CD1-CB 4.49Å; L586-M664 HydrophobicContact CD2-CE 4.31Å; L586-M664 HydrophobicContact CD2-CG 4.49Å
587	Q	93.4	Very high	86.5	Confident	14 Å²	14	36.9 Å²	36.9	7%	0.065	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.2	173.2	-56.4	174.6	-76	0	0	109.3	M580 V603 V604 F665	M580-Q587 VanDerWaalsContact SD-CA 3.55Å; Q587-V603 CarbonylContact O-C 3.43Å; Q587-V603 WeakPolarHBondContact O-CA 3.41Å; Q587-V604 HydrophobicContact CB-CB 3.94Å; Q587-V604 HydrophobicContact CB-CG2 4.05Å; Q587-V604 HydrophobicContact CG-CB 4.48Å; Q587-V604 PolarHBondContact N-O 3.4Å; Q587-V604 VanDerWaalsContact N-O 3.1Å; Q587-V604 PolarHBondContact O-N 3.33Å; Q587-F665 HydrophobicContact CB-CD2 4.09Å; Q587-F665 HydrophobicContact CB-CE2 4.31Å; Q587-F665 PolarHBondContact NE2-O 3.02Å
588	V	95.6	Very high	86.9	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.3	175.1	57.2	0	0	0	0	109.8	E576 Y579 M580 V585 V590 I602 V603 M640	E576-V588 HydrophobicContact CB-CG1 3.83Å; E576-V588 HydrophobicContact CG-CG1 4.08Å; E576-V588 WeakPolarHBondContact O-CG1 3.37Å; Y579-V588 HydrophobicContact CD2-CG2 4.43Å; M580-V588 HydrophobicContact CG-CG1 4Å; M580-V588 HydrophobicContact SD-CG1 4.05Å; V585-V588 HydrophobicContact CG1-CB 4.15Å; V585-V588 HydrophobicContact CG1-CG1 4.45Å; V588-V590 HydrophobicContact CG2-CG2 4.15Å; V588-I602 CarbonylContact C-O 3.53Å; V588-I602 WeakPolarHBondContact CA-O 3.46Å; V588-V603 HydrophobicContact CB-CG2 4.47Å; V588-V603 HydrophobicContact CG2-CG2 4.05Å; V588-M640 HydrophobicContact CG2-CE 4.17Å
589	F	95.1	Very high	87.4	Confident	4 Å²	4	36 Å²	36	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.4	170.3	170.3	-101.9	0	0	0	108.8	E576 H591 G601 I602 F665 R680 I683 L691	E576-F589 WeakPolarHBondContact OE1-CA 3.44Å; F589-H591 HydrophobicContact CD1-CB 4.5Å; F589-H591 HydrophobicContact CE1-CB 3.86Å; F589-H591 HydrophobicContact CZ-CB 4.42Å; F589-G601 CarbonylContact O-C 3.52Å; F589-G601 VanDerWaalsContact O-CA 3.32Å; F589-G601 WeakPolarHBondContact O-CA 3.4Å; F589-I602 HydrophobicContact CB-CB 4.31Å; F589-I602 HydrophobicContact CD1-CB 4.46Å; F589-I602 HydrophobicContact CD1-CG1 4.06Å; F589-I602 PolarHBondContact N-O 3.06Å; F589-I602 PolarHBondContact O-N 3.1Å; F589-F665 HydrophobicContact CB-CE2 3.93Å; F589-F665 HydrophobicContact CB-CZ 4.28Å; F589-R680 HydrophobicContact CE2-CB 3.83Å; F589-R680 HydrophobicContact CE2-CG 4.01Å; F589-R680 HydrophobicContact CZ-CB 4.48Å; F589-I683 HydrophobicContact CB-CG2 4.07Å; F589-I683 HydrophobicContact CD1-CB 4.5Å; F589-I683 HydrophobicContact CD1-CG2 3.44Å; F589-I683 VanDerWaalsContact CD1-CG2 3.44Å; F589-I683 HydrophobicContact CD2-CB 4.3Å; F589-I683 HydrophobicContact CD2-CD1 4.01Å; F589-I683 HydrophobicContact CD2-CG2 3.88Å; F589-I683 HydrophobicContact CE1-CB 4.43Å; F589-I683 HydrophobicContact CE1-CG2 3.72Å; F589-I683 HydrophobicContact CE2-CB 4.24Å; F589-I683 HydrophobicContact CE2-CD1 4.49Å; F589-I683 HydrophobicContact CE2-CG2 4.13Å; F589-I683 HydrophobicContact CG-CB 4.42Å; F589-I683 HydrophobicContact CG-CD1 4.43Å; F589-I683 HydrophobicContact CG-CG2 3.52Å; F589-I683 HydrophobicContact CZ-CB 4.3Å; F589-I683 HydrophobicContact CZ-CG2 4.05Å; F589-L691 HydrophobicContact CE1-CD1 4.37Å
590	V	94.8	Very high	87.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.9	178.8	175.3	0	0	0	0	109.5	F562 P572 I575 E576 Y579 V588 V599 V600 V655 R680	F562-V590 HydrophobicContact CZ-CG1 4.41Å; P572-V590 HydrophobicContact CB-CB 3.98Å; P572-V590 HydrophobicContact CB-CG1 4.15Å; I575-V590 HydrophobicContact CB-CG2 4.2Å; I575-V590 HydrophobicContact CD1-CG1 4.26Å; I575-V590 HydrophobicContact CG2-CG1 4.4Å; I575-V590 HydrophobicContact CG2-CG2 3.76Å; E576-V590 HydrophobicContact CG-CB 3.94Å; E576-V590 HydrophobicContact CG-CG2 3.6Å; E576-V590 PolarHBondContact OE1-N 3.17Å; Y579-V590 HydrophobicContact CD2-CG2 4.39Å; V588-V590 HydrophobicContact CG2-CG2 4.15Å; V590-V599 HydrophobicContact CG1-CB 3.92Å; V590-V599 HydrophobicContact CG1-CG1 4.39Å; V590-V599 HydrophobicContact CG1-CG2 4.04Å; V590-V600 WeakPolarHBondContact CA-O 3.21Å; V590-V655 HydrophobicContact CG1-CG2 4.37Å; V590-V655 HydrophobicContact CG2-CG2 4.07Å; V590-R680 PolarHBondContact O-NH2 2.78Å
591	H	92.6	Very high	87.9	Confident	14 Å²	14	34 Å²	34	7%	0.065	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.6	177.6	180	-93.1	0	0	0	110	F589 V599 V600 R684 L691 Y695	F589-H591 HydrophobicContact CD1-CB 4.5Å; F589-H591 HydrophobicContact CE1-CB 3.86Å; F589-H591 HydrophobicContact CZ-CB 4.42Å; H591-V599 WeakPolarHBondContact O-CA 3.34Å; H591-V599 WeakPolarHBondContact O-CB 3.2Å; H591-V600 HydrophobicContact CB-CG2 4.2Å; H591-V600 PolarHBondContact N-O 3.34Å; H591-V600 PolarHBondContact O-N 2.87Å; H591-R684 PolarHBondContact NE2-NE 3.35Å; H591-L691 HydrophobicContact CB-CD1 4.39Å; H591-L691 HydrophobicContact CB-CD2 3.62Å; H591-Y695 AromaticContact CE1-CE2 3.74Å; H591-Y695 AromaticContact ND1-CE2 3.37Å; H591-Y695 WeakPolarHBondContact ND1-CE2 3.2Å; H591-Y695 AromaticContact ND1-CZ 3.69Å; H591-Y695 PolarHBondContact ND1-OH 3.08Å; H591-Y695 VanDerWaalsContact ND1-OH 3.11Å; H591-Y695 PolarHBondContact O-OH 3.48Å
592	G	85.8	Confident	88.6	Confident	6 Å²	6	29 Å²	29	6%	0.062	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.5	169.9	0	0	0	0	0	110.9	F562 Y695	F562-G592 VanDerWaalsContact CD2-CA 3.45Å; F562-G592 VanDerWaalsContact CE1-N 3.26Å; F562-G592 VanDerWaalsContact CZ-CA 3.49Å; F562-G592 VanDerWaalsContact CZ-N 3.28Å; G592-Y695 VanDerWaalsContact C-OH 3.29Å; G592-Y695 WeakPolarHBondContact CA-OH 3.31Å; G592-Y695 PolarHBondContact N-OH 3.33Å
593	D	75.7	Confident	89.1	Confident	42 Å²	42	28.9 Å²	28.9	23%	0.225	16%	0.164	C	C	.	.			trans	-127.2	137.9	178.7	-171.1	-56.5	0	0	0	108.5	L595 Q596 Y695	D593-L595 PolarHBondContact O-N 3.01Å; D593-L595 WeakPolarHBondContact OD1-CB 3.45Å; D593-L595 PolarHBondContact OD1-N 3.26Å; D593-Q596 HydrophobicContact CB-CB 4.16Å; D593-Q596 HydrophobicContact CB-CG 3.77Å; D593-Q596 PolarHBondContact O-N 3.32Å; D593-Y695 HydrophobicContact CB-CE2 4.08Å; D593-Y695 PolarHBondContact N-OH 2.9Å
594	S	69.8	Low	89.4	Confident	77 Å²	77	24.7 Å²	24.7	54%	0.538	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.5	-177.1	51.2	0	0	0	0	115.2	K563 C565	K563-S594 WeakPolarHBondContact O-CA 3.47Å; K563-S594 VanDerWaalsContact O-CB 3.32Å; K563-S594 WeakPolarHBondContact O-CB 3.49Å; C565-S594 VanDerWaalsContact CA-O 3.32Å; C565-S594 WeakPolarHBondContact CA-O 3.41Å; C565-S594 WeakPolarHBondContact CB-O 3.3Å; C565-S594 PolarHBondContact N-O 3.44Å
595	L	69.7	Low	89.6	Confident	140 Å²	140	24.7 Å²	24.7	73%	0.733	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.9	174.2	-56.8	178.2	0	0	0	112.6	D593	D593-L595 PolarHBondContact O-N 3.01Å; D593-L595 WeakPolarHBondContact OD1-CB 3.45Å; D593-L595 PolarHBondContact OD1-N 3.26Å
596	Q	80.3	Confident	89.5	Confident	53 Å²	53	25.9 Å²	25.9	25%	0.248	14%	0.144	C	C	.	.			trans	-113.1	151.2	-172.7	-60.1	-65.5	-28.1	0	0	111	L564 C565 D593 Y695	L564-Q596 WeakPolarHBondContact CA-O 3.3Å; L564-Q596 WeakPolarHBondContact CB-O 3.25Å; C565-Q596 PolarHBondContact N-O 3.19Å; C565-Q596 VanDerWaalsContact SG-C 3.53Å; D593-Q596 HydrophobicContact CB-CB 4.16Å; D593-Q596 HydrophobicContact CB-CG 3.77Å; D593-Q596 PolarHBondContact O-N 3.32Å; Q596-Y695 HydrophobicContact CB-CD1 3.93Å; Q596-Y695 HydrophobicContact CB-CE1 3.77Å; Q596-Y695 HydrophobicContact CG-CD1 3.47Å; Q596-Y695 VanDerWaalsContact CG-CD1 3.47Å; Q596-Y695 HydrophobicContact CG-CE1 3.71Å; Q596-Y695 HydrophobicContact CG-CG 3.95Å
597	S	80.8	Confident	89.3	Confident	62 Å²	62	29.5 Å²	29.5	43%	0.434	16%	0.158	S	C	.	.	S	Bend	trans	-93.4	-0.2	-177.9	62	0	0	0	0	114.8	Q566	Q566-S597 PolarHBondContact NE2-O 2.93Å
598	Y	87.4	Confident	88.9	Confident	42 Å²	42	35.8 Å²	35.8	17%	0.165	19%	0.187	C	C	.	.	S	Bend	trans	-146.7	168	-173.2	58.8	-94.6	0	0	0	111.2	V600 K656 Y695	Y598-V600 HydrophobicContact CD2-CG1 4.07Å; Y598-V600 HydrophobicContact CE2-CG1 3.84Å; Y598-K656 HydrophobicContact CD1-CG 4.41Å; Y598-K656 HydrophobicContact CD2-CB 3.25Å; Y598-K656 HydrophobicContact CD2-CG 3.72Å; Y598-K656 HydrophobicContact CE2-CB 3.83Å; Y598-K656 HydrophobicContact CE2-CG 3.96Å; Y598-K656 HydrophobicContact CG-CB 3.71Å; Y598-K656 HydrophobicContact CG-CG 3.93Å; Y598-Y695 HydrophobicContact CD2-CD1 4.34Å; Y598-Y695 HydrophobicContact CD2-CE1 4.19Å; Y598-Y695 AromaticContact CE2-CD1 3.66Å; Y598-Y695 HydrophobicContact CE2-CD1 3.66Å; Y598-Y695 AromaticContact CE2-CE1 3.96Å; Y598-Y695 HydrophobicContact CE2-CE1 3.96Å
599	V	93.3	Very high	88.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	156.3	177	-61.9	0	0	0	0	112	F562 L564 V570 I575 V590 H591 V655 K656	F562-V599 HydrophobicContact CE2-CG1 3.37Å; F562-V599 HydrophobicContact CZ-CG1 3.64Å; L564-V599 HydrophobicContact CD1-CG1 4.47Å; L564-V599 HydrophobicContact CD2-CG1 4.24Å; V570-V599 HydrophobicContact CG1-CG1 4.06Å; I575-V599 HydrophobicContact CD1-CG2 4.5Å; V590-V599 HydrophobicContact CG1-CB 3.92Å; V590-V599 HydrophobicContact CG1-CG1 4.39Å; V590-V599 HydrophobicContact CG1-CG2 4.04Å; H591-V599 WeakPolarHBondContact O-CA 3.34Å; H591-V599 WeakPolarHBondContact O-CB 3.2Å; V599-V655 HydrophobicContact CG2-CG2 3.95Å; V599-V655 WeakPolarHBondContact O-CA 3.39Å; V599-K656 PolarHBondContact O-N 2.75Å
600	V	96.2	Very high	88.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.2	178.1	-60.4	0	0	0	0	110.6	V590 H591 Y598 D657 L691 M694 Y695	V590-V600 WeakPolarHBondContact CA-O 3.21Å; H591-V600 HydrophobicContact CB-CG2 4.2Å; H591-V600 PolarHBondContact N-O 3.34Å; H591-V600 PolarHBondContact O-N 2.87Å; Y598-V600 HydrophobicContact CD2-CG1 4.07Å; Y598-V600 HydrophobicContact CE2-CG1 3.84Å; V600-D657 CarbonylContact C-O 3.48Å; V600-D657 VanDerWaalsContact CA-O 3.32Å; V600-D657 WeakPolarHBondContact CA-O 3.28Å; V600-L691 HydrophobicContact CG2-CD2 3.79Å; V600-M694 HydrophobicContact CB-CB 4.01Å; V600-M694 HydrophobicContact CB-CE 3.88Å; V600-M694 HydrophobicContact CB-SD 4.06Å; V600-M694 HydrophobicContact CG1-CB 3.75Å; V600-M694 HydrophobicContact CG2-CB 4.38Å; V600-M694 HydrophobicContact CG2-CE 3.82Å; V600-Y695 HydrophobicContact CG1-CD1 3.98Å; V600-Y695 HydrophobicContact CG1-CE1 3.69Å; V600-Y695 HydrophobicContact CG2-CD2 4.42Å; V600-Y695 HydrophobicContact CG2-CE1 4.09Å; V600-Y695 HydrophobicContact CG2-CE2 3.76Å
601	G	96.2	Very high	88.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.5	-173.1	0	0	0	0	0	114.9	F589 D657 L658 Y659	F589-G601 CarbonylContact O-C 3.52Å; F589-G601 VanDerWaalsContact O-CA 3.32Å; F589-G601 WeakPolarHBondContact O-CA 3.4Å; G601-D657 PolarHBondContact N-O 3.35Å; G601-L658 CarbonylContact O-C 3.57Å; G601-L658 WeakPolarHBondContact O-CA 3.38Å; G601-Y659 PolarHBondContact O-N 3.47Å
602	I	97.9	Very high	88.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.6	160.1	-50.7	-60.2	0	0	0	107.2	V588 F589 Y659 H661 F665 F687 Q690 L691 M694	V588-I602 CarbonylContact C-O 3.53Å; V588-I602 WeakPolarHBondContact CA-O 3.46Å; F589-I602 HydrophobicContact CB-CB 4.31Å; F589-I602 HydrophobicContact CD1-CB 4.46Å; F589-I602 HydrophobicContact CD1-CG1 4.06Å; F589-I602 PolarHBondContact N-O 3.06Å; F589-I602 PolarHBondContact O-N 3.1Å; I602-Y659 HydrophobicContact CD1-CD1 4.2Å; I602-Y659 HydrophobicContact CD1-CG 4.45Å; I602-Y659 HydrophobicContact CG2-CD1 4.29Å; I602-H661 HydrophobicContact CG2-CB 4.06Å; I602-F665 HydrophobicContact CB-CZ 4.29Å; I602-F665 HydrophobicContact CG2-CE1 4.27Å; I602-F665 HydrophobicContact CG2-CZ 3.81Å; I602-F687 HydrophobicContact CD1-CB 3.96Å; I602-F687 HydrophobicContact CD1-CD1 4.39Å; I602-F687 HydrophobicContact CD1-CG 4.17Å; I602-F687 HydrophobicContact CG1-CB 4.08Å; I602-F687 HydrophobicContact CG1-CD2 4.31Å; I602-F687 HydrophobicContact CG1-CG 4.08Å; I602-F687 HydrophobicContact CG2-CD1 4.25Å; I602-F687 HydrophobicContact CG2-CD2 4.3Å; I602-F687 HydrophobicContact CG2-CE1 4.2Å; I602-F687 HydrophobicContact CG2-CE2 4.27Å; I602-F687 HydrophobicContact CG2-CG 4.3Å; I602-F687 HydrophobicContact CG2-CZ 4.23Å; I602-Q690 HydrophobicContact CD1-CB 4.35Å; I602-L691 HydrophobicContact CD1-CD2 4.02Å; I602-L691 HydrophobicContact CD1-CG 4.37Å; I602-L691 HydrophobicContact CG1-CD2 4.17Å; I602-M694 HydrophobicContact CD1-CE 3.73Å
603	V	97.9	Very high	88.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.5	-173.8	171.6	0	0	0	0	109.1	V585 Q587 V588 V636 M640 L658 Y659 L660 H661	V585-V603 HydrophobicContact CB-CG1 4.48Å; V585-V603 HydrophobicContact CG1-CG1 4.19Å; V585-V603 HydrophobicContact CG2-CG1 3.91Å; Q587-V603 CarbonylContact O-C 3.43Å; Q587-V603 WeakPolarHBondContact O-CA 3.41Å; V588-V603 HydrophobicContact CB-CG2 4.47Å; V588-V603 HydrophobicContact CG2-CG2 4.05Å; V603-V636 HydrophobicContact CG1-CG1 4.38Å; V603-M640 HydrophobicContact CG2-CE 3.85Å; V603-M640 HydrophobicContact CG2-SD 3.75Å; V603-L658 HydrophobicContact CG2-CB 4.26Å; V603-L658 HydrophobicContact CG2-CD2 4.23Å; V603-Y659 PolarHBondContact N-O 2.91Å; V603-L660 HydrophobicContact CB-CD2 4.08Å; V603-L660 HydrophobicContact CG1-CD2 3.93Å; V603-L660 CarbonylContact O-C 3.51Å; V603-L660 WeakPolarHBondContact O-CA 3.4Å; V603-H661 PolarHBondContact O-N 3.32Å
604	V	97.6	Very high	89.6	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.1	168.1	-177.4	0	0	0	0	107.6	L586 Q587 H661 E663 F665	L586-V604 WeakPolarHBondContact CA-O 3.36Å; L586-V604 WeakPolarHBondContact CB-O 3.43Å; L586-V604 PolarHBondContact N-O 3.44Å; Q587-V604 HydrophobicContact CB-CB 3.94Å; Q587-V604 HydrophobicContact CB-CG2 4.05Å; Q587-V604 HydrophobicContact CG-CB 4.48Å; Q587-V604 PolarHBondContact N-O 3.4Å; Q587-V604 VanDerWaalsContact N-O 3.1Å; Q587-V604 PolarHBondContact O-N 3.33Å; V604-H661 WeakPolarHBondContact CA-O 3.31Å; V604-H661 HydrophobicContact CG2-CB 4.44Å; V604-E663 WeakPolarHBondContact CG2-O 3.28Å; V604-F665 HydrophobicContact CG2-CD1 4.07Å; V604-F665 HydrophobicContact CG2-CE1 3.82Å; V604-F665 HydrophobicContact CG2-CE2 4.29Å; V604-F665 HydrophobicContact CG2-CG 4.43Å; V604-F665 HydrophobicContact CG2-CZ 3.94Å
605	P	96.1	Very high	90.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	153.7	178	-18.6	33	0	0	0	113.2	P584 K607 F610 Y623 L660 H661	P584-P605 CarbonylContact O-C 3.47Å; P584-P605 WeakPolarHBondContact O-CA 3.17Å; P584-P605 WeakPolarHBondContact O-CB 3.43Å; P605-K607 PolarHBondContact O-N 2.72Å; P605-F610 HydrophobicContact CB-CB 3.94Å; P605-F610 HydrophobicContact CB-CD1 3.59Å; P605-F610 HydrophobicContact CB-CD2 3.58Å; P605-F610 HydrophobicContact CB-CE1 3.85Å; P605-F610 HydrophobicContact CB-CE2 3.85Å; P605-F610 HydrophobicContact CB-CG 3.42Å; P605-F610 VanDerWaalsContact CB-CG 3.42Å; P605-F610 HydrophobicContact CB-CZ 3.97Å; P605-F610 HydrophobicContact CG-CD1 4.18Å; P605-F610 HydrophobicContact CG-CD2 4.38Å; P605-F610 HydrophobicContact CG-CE1 3.94Å; P605-F610 HydrophobicContact CG-CE2 4.16Å; P605-F610 HydrophobicContact CG-CG 4.38Å; P605-F610 HydrophobicContact CG-CZ 3.92Å; P605-Y623 HydrophobicContact CB-CE2 4.04Å; P605-Y623 PolarHBondContact O-OH 2.89Å; P605-Y623 VanDerWaalsContact O-OH 3.14Å; P605-L660 HydrophobicContact CG-CB 4.46Å; P605-L660 HydrophobicContact CG-CD2 4.07Å; P605-H661 VanDerWaalsContact CD-O 3.31Å; P605-H661 WeakPolarHBondContact CD-O 3.13Å
606	D	91.7	Very high	91.7	Very high	33 Å²	33	45.3 Å²	45.3	18%	0.176	22%	0.221	C	C	.	.			trans	-77.7	106.4	175.6	-169.5	-20.8	0	0	0	111.4	P584 L586 E608 V609 F610	P584-D606 PolarHBondContact O-N 3.43Å; L586-D606 HydrophobicContact CB-CB 3.85Å; L586-D606 HydrophobicContact CD1-CB 4.49Å; D606-E608 PolarHBondContact O-N 3.12Å; D606-E608 WeakPolarHBondContact OD1-CB 3.23Å; D606-E608 PolarHBondContact OD1-N 3.4Å; D606-V609 HydrophobicContact CB-CG2 3.69Å; D606-V609 PolarHBondContact O-N 2.79Å; D606-V609 VanDerWaalsContact O-N 3.1Å; D606-F610 WeakPolarHBondContact O-CA 3.5Å; D606-F610 WeakPolarHBondContact O-CB 3.45Å; D606-F610 PolarHBondContact O-N 3.01Å
607	K	88.5	Confident	92.2	Very high	123 Å²	123	47.2 Å²	47.2	54%	0.535	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.2	178.6	-73.1	-178.3	178.4	-177.9	0	113.9	P605 Y623 P662	P605-K607 PolarHBondContact O-N 2.72Å; K607-Y623 HydrophobicContact CB-CD2 4.45Å; K607-Y623 HydrophobicContact CB-CE2 4.23Å; K607-Y623 HydrophobicContact CD-CE1 4.18Å; K607-Y623 HydrophobicContact CG-CD1 4.2Å; K607-Y623 HydrophobicContact CG-CD2 3.8Å; K607-Y623 HydrophobicContact CG-CE1 3.83Å; K607-Y623 HydrophobicContact CG-CE2 3.38Å; K607-Y623 HydrophobicContact CG-CG 4.18Å; K607-P662 WeakPolarHBondContact CE-O 3.46Å
608	E	85.2	Confident	92.8	Very high	146 Å²	146	48.6 Å²	48.6	68%	0.682	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.3	-176.9	-64.1	-175	-167.1	0	0	112.3	R374 D606	R374-E608 IonicContact NH2-OE1 2.68Å; D606-E608 PolarHBondContact O-N 3.12Å; D606-E608 WeakPolarHBondContact OD1-CB 3.23Å; D606-E608 PolarHBondContact OD1-N 3.4Å
609	V	90.4	Very high	93.1	Very high	55 Å²	55	48.7 Å²	48.7	33%	0.333	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-21.2	-173.2	-61.3	0	0	0	0	114.5	V583 D606 V611 E612 W613	V583-V609 HydrophobicContact CG1-CG2 4.45Å; V583-V609 WeakPolarHBondContact O-CG2 3.48Å; D606-V609 HydrophobicContact CB-CG2 3.69Å; D606-V609 PolarHBondContact O-N 2.79Å; D606-V609 VanDerWaalsContact O-N 3.1Å; V609-V611 PolarHBondContact O-N 3.27Å; V609-E612 PolarHBondContact O-N 2.87Å; V609-W613 VanDerWaalsContact O-CB 3.27Å; V609-W613 WeakPolarHBondContact O-CB 3.5Å; V609-W613 PolarHBondContact O-N 3.25Å
610	F	93.4	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-40	-169.7	179.4	-119.1	0	0	0	113.4	P584 P605 D606 W613 A614 Y623 L626 V632 V636 L660	P584-F610 HydrophobicContact CB-CD2 3.68Å; P584-F610 HydrophobicContact CB-CE2 4.07Å; P605-F610 HydrophobicContact CB-CB 3.94Å; P605-F610 HydrophobicContact CB-CD1 3.59Å; P605-F610 HydrophobicContact CB-CD2 3.58Å; P605-F610 HydrophobicContact CB-CE1 3.85Å; P605-F610 HydrophobicContact CB-CE2 3.85Å; P605-F610 HydrophobicContact CB-CG 3.42Å; P605-F610 VanDerWaalsContact CB-CG 3.42Å; P605-F610 HydrophobicContact CB-CZ 3.97Å; P605-F610 HydrophobicContact CG-CD1 4.18Å; P605-F610 HydrophobicContact CG-CD2 4.38Å; P605-F610 HydrophobicContact CG-CE1 3.94Å; P605-F610 HydrophobicContact CG-CE2 4.16Å; P605-F610 HydrophobicContact CG-CG 4.38Å; P605-F610 HydrophobicContact CG-CZ 3.92Å; D606-F610 WeakPolarHBondContact O-CA 3.5Å; D606-F610 WeakPolarHBondContact O-CB 3.45Å; D606-F610 PolarHBondContact O-N 3.01Å; F610-W613 HydrophobicContact CD2-CE3 4.16Å; F610-W613 HydrophobicContact CE2-CE3 4.19Å; F610-W613 HydrophobicContact CE2-CZ3 4.24Å; F610-W613 PolarHBondContact O-N 3.35Å; F610-A614 VanDerWaalsContact O-CB 3.27Å; F610-A614 WeakPolarHBondContact O-CB 3.2Å; F610-A614 PolarHBondContact O-N 3.1Å; F610-Y623 AromaticContact CD1-CD2 3.79Å; F610-Y623 HydrophobicContact CD1-CD2 3.79Å; F610-Y623 AromaticContact CD1-CE2 3.9Å; F610-Y623 HydrophobicContact CD1-CE2 3.9Å; F610-L626 HydrophobicContact CE1-CB 3.73Å; F610-L626 HydrophobicContact CZ-CB 4.35Å; F610-V632 HydrophobicContact CE1-CG1 4.49Å; F610-V632 HydrophobicContact CE2-CG1 4.04Å; F610-V632 HydrophobicContact CZ-CG1 3.53Å; F610-V636 HydrophobicContact CE2-CG2 3.82Å; F610-L660 HydrophobicContact CZ-CD1 4.19Å
611	V	92.1	Very high	92.8	Very high	50 Å²	50	56.3 Å²	56.3	30%	0.303	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-45.4	-179.3	179.1	0	0	0	0	110.9	V609 A614 K615 L626	V609-V611 PolarHBondContact O-N 3.27Å; V611-A614 PolarHBondContact O-N 3.35Å; V611-K615 WeakPolarHBondContact O-CB 2.97Å; V611-K615 PolarHBondContact O-N 2.82Å; V611-L626 HydrophobicContact CB-CD1 4.48Å; V611-L626 HydrophobicContact CG1-CD1 4.39Å; V611-L626 HydrophobicContact CG2-CD1 4.29Å
612	E	89.6	Confident	92.7	Very high	106 Å²	106	58.6 Å²	58.6	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-69.6	-39.9	176.3	-71.1	-61.6	134.3	0	0	111.4	V609 A614 K615 E616	V609-E612 PolarHBondContact O-N 2.87Å; E612-A614 VanDerWaalsContact C-N 3.28Å; E612-A614 PolarHBondContact O-N 2.69Å; E612-K615 WeakPolarHBondContact O-CB 3.44Å; E612-K615 PolarHBondContact O-N 3.13Å; E612-K615 VanDerWaalsContact O-N 3.15Å; E612-K615 IonicContact OE1-NZ 3.58Å; E612-K615 IonicContact OE2-NZ 3.58Å; E612-E616 WeakPolarHBondContact O-CG 3.44Å; E612-E616 PolarHBondContact O-N 3.3Å
613	W	93.9	Very high	92.4	Very high	9 Å²	9	59.5 Å²	59.5	3%	0.034	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-38.8	174.4	177.1	96.2	0	0	0	112.8	V583 P584 V609 F610 R617 A635 V636 D639	V583-W613 HydrophobicContact CG1-CG 4.47Å; P584-W613 HydrophobicContact CB-CD2 3.82Å; P584-W613 HydrophobicContact CB-CE3 3.91Å; P584-W613 HydrophobicContact CB-CG 4.34Å; P584-W613 HydrophobicContact CB-CH2 4.35Å; P584-W613 HydrophobicContact CB-CZ2 4.22Å; P584-W613 HydrophobicContact CB-CZ3 4.19Å; P584-W613 HydrophobicContact CG-CD2 4.12Å; P584-W613 HydrophobicContact CG-CE3 4.41Å; P584-W613 HydrophobicContact CG-CH2 4.04Å; P584-W613 HydrophobicContact CG-CZ2 3.66Å; P584-W613 HydrophobicContact CG-CZ3 4.38Å; V609-W613 VanDerWaalsContact O-CB 3.27Å; V609-W613 WeakPolarHBondContact O-CB 3.5Å; V609-W613 PolarHBondContact O-N 3.25Å; F610-W613 HydrophobicContact CD2-CE3 4.16Å; F610-W613 HydrophobicContact CE2-CE3 4.19Å; F610-W613 HydrophobicContact CE2-CZ3 4.24Å; F610-W613 PolarHBondContact O-N 3.35Å; W613-R617 VanDerWaalsContact CD1-NH1 3.33Å; W613-R617 VanDerWaalsContact CE2-NH1 3.28Å; W613-R617 VanDerWaalsContact NE1-NH1 3.14Å; W613-R617 VanDerWaalsContact NE1-NH2 3.16Å; W613-R617 PolarHBondContact O-NH1 3.45Å; W613-A635 HydrophobicContact CH2-CB 3.98Å; W613-A635 HydrophobicContact CZ3-CB 4.49Å; W613-V636 HydrophobicContact CH2-CG2 3.79Å; W613-V636 HydrophobicContact CZ3-CG2 3.77Å; W613-D639 HydrophobicContact CZ2-CB 4.12Å
614	A	92.9	Very high	92.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-39.7	176.8	0	0	0	0	0	111.3	F610 V611 E612 E616 R617 A618 F619 L626	F610-A614 VanDerWaalsContact O-CB 3.27Å; F610-A614 WeakPolarHBondContact O-CB 3.2Å; F610-A614 PolarHBondContact O-N 3.1Å; V611-A614 PolarHBondContact O-N 3.35Å; E612-A614 VanDerWaalsContact C-N 3.28Å; E612-A614 PolarHBondContact O-N 2.69Å; A614-E616 PolarHBondContact O-N 3.05Å; A614-R617 CarbonylContact O-C 3.59Å; A614-R617 WeakPolarHBondContact O-CA 3.27Å; A614-R617 WeakPolarHBondContact O-CB 3.34Å; A614-R617 PolarHBondContact O-N 3.25Å; A614-A618 PolarHBondContact O-N 2.83Å; A614-F619 CarbonylContact C-O 3.58Å; A614-F619 HydrophobicContact CB-CB 4.11Å; A614-F619 WeakPolarHBondContact O-CB 3.5Å; A614-F619 PolarHBondContact O-N 3.32Å; A614-L626 HydrophobicContact CB-CD1 3.92Å; A614-L626 HydrophobicContact CB-CD2 4.21Å
615	K	92.1	Very high	92.1	Very high	117 Å²	117	70.3 Å²	70.3	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-63.6	-38.8	176.6	-175	-175.8	174.2	-168.6	0	113.1	V611 E612 R617 A618 F619	V611-K615 WeakPolarHBondContact O-CB 2.97Å; V611-K615 PolarHBondContact O-N 2.82Å; E612-K615 WeakPolarHBondContact O-CB 3.44Å; E612-K615 PolarHBondContact O-N 3.13Å; E612-K615 VanDerWaalsContact O-N 3.15Å; E612-K615 IonicContact OE1-NZ 3.58Å; E612-K615 IonicContact OE2-NZ 3.58Å; K615-R617 PolarHBondContact O-N 3.29Å; K615-R617 VanDerWaalsContact O-N 3.12Å; K615-A618 PolarHBondContact O-N 3.5Å; K615-F619 VanDerWaalsContact CA-O 3.22Å; K615-F619 WeakPolarHBondContact CA-O 3.27Å; K615-F619 PolarHBondContact N-O 3.05Å
616	E	91.4	Very high	92	Very high	154 Å²	154	70.3 Å²	70.3	72%	0.72	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.6	171.4	-73	178.2	172.7	0	0	112.8	E612 A614	E612-E616 WeakPolarHBondContact O-CG 3.44Å; E612-E616 PolarHBondContact O-N 3.3Å; A614-E616 PolarHBondContact O-N 3.05Å
617	R	91.8	Very high	92.1	Very high	93 Å²	93	69.2 Å²	69.2	35%	0.351	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	19.9	176.8	-68.2	167.1	177.9	68	0.3	112.9	W613 A614 K615 F619 D639	W613-R617 VanDerWaalsContact CD1-NH1 3.33Å; W613-R617 VanDerWaalsContact CE2-NH1 3.28Å; W613-R617 VanDerWaalsContact NE1-NH1 3.14Å; W613-R617 VanDerWaalsContact NE1-NH2 3.16Å; W613-R617 PolarHBondContact O-NH1 3.45Å; A614-R617 CarbonylContact O-C 3.59Å; A614-R617 WeakPolarHBondContact O-CA 3.27Å; A614-R617 WeakPolarHBondContact O-CB 3.34Å; A614-R617 PolarHBondContact O-N 3.25Å; K615-R617 PolarHBondContact O-N 3.29Å; K615-R617 VanDerWaalsContact O-N 3.12Å; R617-F619 VanDerWaalsContact C-N 3.27Å; R617-F619 HydrophobicContact CB-CD2 3.83Å; R617-F619 HydrophobicContact CB-CE2 3.92Å; R617-F619 PolarHBondContact O-N 2.98Å; R617-D639 IonicContact NH2-OD1 3.97Å
618	A	93.9	Very high	92.4	Very high	91 Å²	91	71.1 Å²	71.1	75%	0.752	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	20	179.1	0	0	0	0	0	115.6	A614 K615	A614-A618 PolarHBondContact O-N 2.83Å; K615-A618 PolarHBondContact O-N 3.5Å
619	F	93.5	Very high	92.9	Very high	44 Å²	44	66.5 Å²	66.5	19%	0.193	35%	0.349	C	S	.	.			trans	-95.6	129.7	170	-57	-67	0	0	0	110.7	A614 K615 R617 L626 D631 V632 A635	A614-F619 CarbonylContact C-O 3.58Å; A614-F619 HydrophobicContact CB-CB 4.11Å; A614-F619 WeakPolarHBondContact O-CB 3.5Å; A614-F619 PolarHBondContact O-N 3.32Å; K615-F619 VanDerWaalsContact CA-O 3.22Å; K615-F619 WeakPolarHBondContact CA-O 3.27Å; K615-F619 PolarHBondContact N-O 3.05Å; R617-F619 VanDerWaalsContact C-N 3.27Å; R617-F619 HydrophobicContact CB-CD2 3.83Å; R617-F619 HydrophobicContact CB-CE2 3.92Å; R617-F619 PolarHBondContact O-N 2.98Å; F619-L626 HydrophobicContact CB-CD2 3.99Å; F619-D631 HydrophobicContact CD1-CB 4.46Å; F619-D631 HydrophobicContact CE1-CB 3.46Å; F619-D631 VanDerWaalsContact CE1-CB 3.46Å; F619-D631 HydrophobicContact CZ-CB 3.83Å; F619-V632 HydrophobicContact CB-CG2 3.77Å; F619-V632 HydrophobicContact CD1-CG2 3.78Å; F619-V632 HydrophobicContact CD2-CG2 3.89Å; F619-V632 HydrophobicContact CE1-CG2 4.33Å; F619-V632 HydrophobicContact CE2-CG2 4.41Å; F619-V632 HydrophobicContact CG-CG2 3.53Å; F619-A635 HydrophobicContact CE2-CB 3.94Å
620	V	91.9	Very high	93	Very high	135 Å²	135	68 Å²	68	82%	0.818	36%	0.36	S	S	*	.			trans	-125.2	131.7	179.6	-176.2	0	0	0	0	109.2
621	G	91.1	Very high	93.1	Very high	24 Å²	24	72.6 Å²	72.6	25%	0.247	38%	0.384	C	S	.	.	S	Bend	trans	170.9	169.4	177.8	0	0	0	0	0	111.3
622	S	93.6	Very high	93.3	Very high	48 Å²	48	70.2 Å²	70.2	34%	0.336	37%	0.37	S	S	.	.			trans	-65.4	159.3	166.4	65.6	0	0	0	0	110.7	Q624 E625 L626	S622-Q624 PolarHBondContact O-N 3.06Å; S622-E625 WeakPolarHBondContact CB-OE2 3.41Å; S622-E625 PolarHBondContact N-OE2 3.43Å; S622-E625 PolarHBondContact O-N 2.84Å; S622-E625 VanDerWaalsContact O-N 3.12Å; S622-E625 WeakPolarHBondContact OG-CG 3.33Å; S622-E625 PolarHBondContact OG-N 2.83Å; S622-E625 PolarHBondContact OG-OE2 2.91Å; S622-L626 WeakPolarHBondContact O-CG 3.47Å; S622-L626 PolarHBondContact O-N 2.85Å
623	Y	92.5	Very high	93.6	Very high	19 Å²	19	67.4 Å²	67.4	8%	0.075	36%	0.356	C	S	.	.	H	α-helix	trans	-52.4	-40.7	178.3	173.1	-95.1	0	0	0	112.6	P605 K607 F610 C627 P662	P605-Y623 HydrophobicContact CB-CE2 4.04Å; P605-Y623 PolarHBondContact O-OH 2.89Å; P605-Y623 VanDerWaalsContact O-OH 3.14Å; K607-Y623 HydrophobicContact CB-CD2 4.45Å; K607-Y623 HydrophobicContact CB-CE2 4.23Å; K607-Y623 HydrophobicContact CD-CE1 4.18Å; K607-Y623 HydrophobicContact CG-CD1 4.2Å; K607-Y623 HydrophobicContact CG-CD2 3.8Å; K607-Y623 HydrophobicContact CG-CE1 3.83Å; K607-Y623 HydrophobicContact CG-CE2 3.38Å; K607-Y623 HydrophobicContact CG-CG 4.18Å; F610-Y623 AromaticContact CD1-CD2 3.79Å; F610-Y623 HydrophobicContact CD1-CD2 3.79Å; F610-Y623 AromaticContact CD1-CE2 3.9Å; F610-Y623 HydrophobicContact CD1-CE2 3.9Å; Y623-C627 PolarHBondContact O-N 3.07Å; Y623-C627 PolarHBondContact O-SG 2.96Å; Y623-P662 HydrophobicContact CD1-CB 4.25Å; Y623-P662 HydrophobicContact CE1-CB 3.59Å; Y623-P662 VanDerWaalsContact CE1-O 3.24Å; Y623-P662 WeakPolarHBondContact CE1-O 3.48Å; Y623-P662 PolarHBondContact OH-O 3.28Å
624	Q	94.1	Very high	93.7	Very high	110 Å²	110	70.5 Å²	70.5	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-68.5	-43.4	178.5	-68.7	83.3	-14.1	0	0	112.3	S622 C627 Q628	S622-Q624 PolarHBondContact O-N 3.06Å; Q624-C627 PolarHBondContact O-N 2.9Å; Q624-Q628 PolarHBondContact O-N 3.28Å
625	E	93.6	Very high	93.9	Very high	118 Å²	118	71.3 Å²	71.3	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-65.1	-41.9	177.7	-71.2	161.9	154.5	0	0	111.2	S622 C627 Q628 N629	S622-E625 WeakPolarHBondContact CB-OE2 3.41Å; S622-E625 PolarHBondContact N-OE2 3.43Å; S622-E625 PolarHBondContact O-N 2.84Å; S622-E625 VanDerWaalsContact O-N 3.12Å; S622-E625 WeakPolarHBondContact OG-CG 3.33Å; S622-E625 PolarHBondContact OG-N 2.83Å; S622-E625 PolarHBondContact OG-OE2 2.91Å; E625-C627 VanDerWaalsContact C-N 3.3Å; E625-C627 PolarHBondContact O-N 3.13Å; E625-Q628 PolarHBondContact O-N 3.17Å; E625-N629 PolarHBondContact O-N 3.35Å
626	L	94.6	Very high	94.1	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-35.8	177.3	-69.1	172.8	0	0	0	112.2	F610 V611 A614 F619 S622 Q628 N629 V632	F610-L626 HydrophobicContact CE1-CB 3.73Å; F610-L626 HydrophobicContact CZ-CB 4.35Å; V611-L626 HydrophobicContact CB-CD1 4.48Å; V611-L626 HydrophobicContact CG1-CD1 4.39Å; V611-L626 HydrophobicContact CG2-CD1 4.29Å; A614-L626 HydrophobicContact CB-CD1 3.92Å; A614-L626 HydrophobicContact CB-CD2 4.21Å; F619-L626 HydrophobicContact CB-CD2 3.99Å; S622-L626 WeakPolarHBondContact O-CG 3.47Å; S622-L626 PolarHBondContact O-N 2.85Å; L626-Q628 PolarHBondContact O-N 3.16Å; L626-N629 PolarHBondContact O-N 2.61Å; L626-V632 HydrophobicContact CD2-CG2 3.87Å
627	C	94.8	Very high	94.4	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-65.9	-23.1	173.8	-67.5	0	0	0	0	113.1	Y623 Q624 E625 L660 P662	Y623-C627 PolarHBondContact O-N 3.07Å; Y623-C627 PolarHBondContact O-SG 2.96Å; Q624-C627 PolarHBondContact O-N 2.9Å; E625-C627 VanDerWaalsContact C-N 3.3Å; E625-C627 PolarHBondContact O-N 3.13Å; C627-L660 HydrophobicContact CB-CB 4.11Å; C627-L660 WeakPolarHBondContact O-CB 3.09Å; C627-P662 HydrophobicContact CB-CB 4.41Å
628	Q	94.1	Very high	94.6	Very high	163 Å²	163	61 Å²	61	76%	0.762	34%	0.338	S	S	*	.	H	α-helix	trans	-94.2	-8.2	179	-64.7	179.3	6.9	0	0	112.8	Q624 E625 L626 P630	Q624-Q628 PolarHBondContact O-N 3.28Å; E625-Q628 PolarHBondContact O-N 3.17Å; L626-Q628 PolarHBondContact O-N 3.16Å; Q628-P630 WeakPolarHBondContact O-CD 3.35Å
629	N	94.6	Very high	94.7	Very high	49 Å²	49	58.4 Å²	58.4	26%	0.262	31%	0.311	S	S	.	.			trans	-80.7	119.9	-175.8	-174.5	-38.4	0	0	0	111.4	E625 L626 D631 V632 K633	E625-N629 PolarHBondContact O-N 3.35Å; L626-N629 PolarHBondContact O-N 2.61Å; N629-D631 VanDerWaalsContact C-N 3.33Å; N629-D631 PolarHBondContact O-N 2.71Å; N629-D631 WeakPolarHBondContact OD1-CB 3.21Å; N629-D631 PolarHBondContact OD1-N 3.35Å; N629-V632 HydrophobicContact CB-CB 4.01Å; N629-V632 HydrophobicContact CB-CG2 3.72Å; N629-V632 PolarHBondContact O-N 3.09Å; N629-V632 PolarHBondContact OD1-N 3.02Å; N629-K633 PolarHBondContact O-N 3Å
630	P	93.8	Very high	94.8	Very high	86 Å²	86	56.3 Å²	56.3	56%	0.558	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-35.7	179.2	-24	34.6	0	0	0	114.6	Q628 K633 N634	Q628-P630 WeakPolarHBondContact O-CD 3.35Å; P630-K633 WeakPolarHBondContact O-CB 3.4Å; P630-K633 PolarHBondContact O-N 3.5Å; P630-N634 PolarHBondContact O-N 3.31Å; P630-N634 PolarHBondContact O-ND2 2.99Å
631	D	95.5	Very high	95	Very high	97 Å²	97	53.6 Å²	53.6	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-71.8	-38	-179.3	-60.7	-41.5	0	0	0	111.1	F619 N629 N634 A635	F619-D631 HydrophobicContact CD1-CB 4.46Å; F619-D631 HydrophobicContact CE1-CB 3.46Å; F619-D631 VanDerWaalsContact CE1-CB 3.46Å; F619-D631 HydrophobicContact CZ-CB 3.83Å; N629-D631 VanDerWaalsContact C-N 3.33Å; N629-D631 PolarHBondContact O-N 2.71Å; N629-D631 WeakPolarHBondContact OD1-CB 3.21Å; N629-D631 PolarHBondContact OD1-N 3.35Å; D631-N634 PolarHBondContact O-N 3.03Å; D631-A635 PolarHBondContact O-N 3.39Å
632	V	96.2	Very high	95	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-43.8	172.9	178.5	0	0	0	0	110.4	F610 F619 L626 N629 N634 A635 V636 L660	F610-V632 HydrophobicContact CE1-CG1 4.49Å; F610-V632 HydrophobicContact CE2-CG1 4.04Å; F610-V632 HydrophobicContact CZ-CG1 3.53Å; F619-V632 HydrophobicContact CB-CG2 3.77Å; F619-V632 HydrophobicContact CD1-CG2 3.78Å; F619-V632 HydrophobicContact CD2-CG2 3.89Å; F619-V632 HydrophobicContact CE1-CG2 4.33Å; F619-V632 HydrophobicContact CE2-CG2 4.41Å; F619-V632 HydrophobicContact CG-CG2 3.53Å; L626-V632 HydrophobicContact CD2-CG2 3.87Å; N629-V632 HydrophobicContact CB-CB 4.01Å; N629-V632 HydrophobicContact CB-CG2 3.72Å; N629-V632 PolarHBondContact O-N 3.09Å; N629-V632 PolarHBondContact OD1-N 3.02Å; V632-N634 VanDerWaalsContact C-N 3.29Å; V632-N634 PolarHBondContact O-N 3.12Å; V632-A635 PolarHBondContact O-N 2.97Å; V632-V636 WeakPolarHBondContact O-CG2 3.25Å; V632-V636 PolarHBondContact O-N 3.35Å; V632-L660 HydrophobicContact CG1-CD1 4.18Å
633	K	96.2	Very high	94.9	Very high	48 Å²	48	54 Å²	54	21%	0.209	28%	0.279	C	S	.	.	H	α-helix	trans	-54.2	-45.6	172.7	158.4	-180	165.6	167.1	0	111.5	N629 P630 V636 L637 D657 L658 L660	N629-K633 PolarHBondContact O-N 3Å; P630-K633 WeakPolarHBondContact O-CB 3.4Å; P630-K633 PolarHBondContact O-N 3.5Å; K633-V636 PolarHBondContact O-N 2.93Å; K633-L637 WeakPolarHBondContact O-CB 3.44Å; K633-L637 PolarHBondContact O-N 3.15Å; K633-D657 WeakPolarHBondContact CE-OD1 3.24Å; K633-D657 IonicContact NZ-OD1 3.32Å; K633-D657 PolarHBondContact NZ-OD1 3.12Å; K633-D657 IonicContact NZ-OD2 3.78Å; K633-D657 PolarHBondContact NZ-OD2 3.24Å; K633-L658 HydrophobicContact CB-CD1 4.39Å; K633-L658 HydrophobicContact CD-CD1 4.47Å; K633-L658 VanDerWaalsContact CD-O 3.28Å; K633-L658 WeakPolarHBondContact CD-O 3.35Å; K633-L658 WeakPolarHBondContact CE-O 3.39Å; K633-L658 HydrophobicContact CG-CD1 3.78Å; K633-L658 HydrophobicContact CG-CG 4.25Å; K633-L658 PolarHBondContact NZ-O 3.28Å; K633-L660 HydrophobicContact CB-CD1 4.08Å; K633-L660 HydrophobicContact CB-CG 4.36Å
634	N	96	Very high	94.6	Very high	74 Å²	74	53.1 Å²	53.1	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-65.1	-42.6	178.8	-72	-28.8	0	0	0	111.9	P630 D631 V632 V636 L637 E638	P630-N634 PolarHBondContact O-N 3.31Å; P630-N634 PolarHBondContact O-ND2 2.99Å; D631-N634 PolarHBondContact O-N 3.03Å; V632-N634 VanDerWaalsContact C-N 3.29Å; V632-N634 PolarHBondContact O-N 3.12Å; N634-V636 VanDerWaalsContact C-N 3.33Å; N634-V636 PolarHBondContact O-N 3.4Å; N634-L637 WeakPolarHBondContact O-CB 3.41Å; N634-L637 PolarHBondContact O-N 2.79Å; N634-E638 WeakPolarHBondContact O-CG 3.39Å; N634-E638 PolarHBondContact O-N 3.21Å
635	A	96.5	Very high	94.4	Very high	16 Å²	16	55.3 Å²	55.3	13%	0.132	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-40.8	176.2	0	0	0	0	0	112.3	W613 F619 D631 V632 E638 D639	W613-A635 HydrophobicContact CH2-CB 3.98Å; W613-A635 HydrophobicContact CZ3-CB 4.49Å; F619-A635 HydrophobicContact CE2-CB 3.94Å; D631-A635 PolarHBondContact O-N 3.39Å; V632-A635 PolarHBondContact O-N 2.97Å; A635-E638 PolarHBondContact O-N 3.41Å; A635-D639 PolarHBondContact O-N 3.42Å; A635-D639 VanDerWaalsContact O-N 3.09Å
636	V	97.1	Very high	93.8	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-42.5	174.8	174.5	0	0	0	0	110.8	P584 V585 V603 F610 W613 V632 K633 N634 E638 D639 M640 L658 L660	P584-V636 HydrophobicContact CB-CG2 4.17Å; P584-V636 HydrophobicContact CG-CG1 4.2Å; P584-V636 HydrophobicContact CG-CG2 4.13Å; V585-V636 HydrophobicContact CG2-CG1 4.34Å; V603-V636 HydrophobicContact CG1-CG1 4.38Å; F610-V636 HydrophobicContact CE2-CG2 3.82Å; W613-V636 HydrophobicContact CH2-CG2 3.79Å; W613-V636 HydrophobicContact CZ3-CG2 3.77Å; V632-V636 WeakPolarHBondContact O-CG2 3.25Å; V632-V636 PolarHBondContact O-N 3.35Å; K633-V636 PolarHBondContact O-N 2.93Å; N634-V636 VanDerWaalsContact C-N 3.33Å; N634-V636 PolarHBondContact O-N 3.4Å; V636-E638 VanDerWaalsContact C-N 3.33Å; V636-E638 PolarHBondContact O-N 2.85Å; V636-D639 PolarHBondContact O-N 3.33Å; V636-M640 HydrophobicContact CG1-CG 4.37Å; V636-M640 HydrophobicContact CG1-SD 3.89Å; V636-M640 WeakPolarHBondContact O-CB 3.43Å; V636-M640 WeakPolarHBondContact O-CG 3.27Å; V636-M640 PolarHBondContact O-N 2.79Å; V636-L658 HydrophobicContact CB-CD2 4.41Å; V636-L658 HydrophobicContact CG1-CD2 3.97Å; V636-L660 HydrophobicContact CB-CD2 4.29Å; V636-L660 HydrophobicContact CG1-CD2 4.05Å; V636-L660 HydrophobicContact CG2-CD2 4.24Å
637	L	97	Very high	92.7	Very high	10 Å²	10	60 Å²	60	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-39.6	178.4	-178.7	62.4	0	0	0	112.1	K633 N634 R641 V655 L658	K633-L637 WeakPolarHBondContact O-CB 3.44Å; K633-L637 PolarHBondContact O-N 3.15Å; N634-L637 WeakPolarHBondContact O-CB 3.41Å; N634-L637 PolarHBondContact O-N 2.79Å; L637-R641 WeakPolarHBondContact O-CB 3.36Å; L637-R641 VanDerWaalsContact O-CG 3.26Å; L637-R641 WeakPolarHBondContact O-CG 3.31Å; L637-R641 PolarHBondContact O-N 2.54Å; L637-V655 HydrophobicContact CD1-CG1 4.08Å; L637-V655 WeakPolarHBondContact CD1-O 3.47Å; L637-L658 HydrophobicContact CB-CD2 3.71Å; L637-L658 HydrophobicContact CB-CG 4.32Å; L637-L658 HydrophobicContact CD1-CD2 3.94Å; L637-L658 HydrophobicContact CD1-CG 4.42Å; L637-L658 HydrophobicContact CG-CD2 4.42Å
638	E	96.3	Very high	91.6	Very high	136 Å²	136	62.2 Å²	62.2	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-65.2	-45	175.5	-74.6	-178.7	172.6	0	0	112.3	N634 A635 V636 R641 A642	N634-E638 WeakPolarHBondContact O-CG 3.39Å; N634-E638 PolarHBondContact O-N 3.21Å; A635-E638 PolarHBondContact O-N 3.41Å; V636-E638 VanDerWaalsContact C-N 3.33Å; V636-E638 PolarHBondContact O-N 2.85Å; E638-R641 PolarHBondContact O-N 2.89Å; E638-A642 PolarHBondContact O-N 3.44Å
639	D	95.3	Very high	90.9	Very high	37 Å²	37	55 Å²	55	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-48.3	176.3	-166.6	96.8	0	0	0	111	S582 W613 R617 A635 V636 R641 A642 V643	S582-D639 WeakPolarHBondContact CB-OD2 3.46Å; S582-D639 PolarHBondContact OG-OD2 2.77Å; W613-D639 HydrophobicContact CZ2-CB 4.12Å; R617-D639 IonicContact NH2-OD1 3.97Å; A635-D639 PolarHBondContact O-N 3.42Å; A635-D639 VanDerWaalsContact O-N 3.09Å; V636-D639 PolarHBondContact O-N 3.33Å; D639-R641 VanDerWaalsContact C-N 3.34Å; D639-R641 PolarHBondContact O-N 2.89Å; D639-A642 WeakPolarHBondContact O-CB 3.42Å; D639-A642 PolarHBondContact O-N 3.2Å; D639-V643 WeakPolarHBondContact O-CG2 3.16Å; D639-V643 PolarHBondContact O-N 3.28Å
640	M	96.9	Very high	90.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-44.8	174.7	-75.4	173.7	65.6	0	0	111.8	Y579 V585 V588 V603 V636 A642 V643 G644 L658	Y579-M640 HydrophobicContact CD1-CB 3.82Å; Y579-M640 HydrophobicContact CD1-CE 4.09Å; Y579-M640 HydrophobicContact CD1-CG 4.31Å; Y579-M640 WeakPolarHBondContact CD1-O 3.31Å; Y579-M640 HydrophobicContact CD2-CE 3.43Å; Y579-M640 VanDerWaalsContact CD2-CE 3.43Å; Y579-M640 HydrophobicContact CE1-CB 4.03Å; Y579-M640 WeakPolarHBondContact CE1-O 3.46Å; Y579-M640 HydrophobicContact CE2-CE 3.93Å; Y579-M640 HydrophobicContact CG-CB 4.38Å; Y579-M640 HydrophobicContact CG-CE 3.51Å; Y579-M640 HydrophobicContact CG-CG 4.46Å; V585-M640 HydrophobicContact CG2-CG 3.93Å; V585-M640 HydrophobicContact CG2-SD 3.97Å; V588-M640 HydrophobicContact CG2-CE 4.17Å; V603-M640 HydrophobicContact CG2-CE 3.85Å; V603-M640 HydrophobicContact CG2-SD 3.75Å; V636-M640 HydrophobicContact CG1-CG 4.37Å; V636-M640 HydrophobicContact CG1-SD 3.89Å; V636-M640 WeakPolarHBondContact O-CB 3.43Å; V636-M640 WeakPolarHBondContact O-CG 3.27Å; V636-M640 PolarHBondContact O-N 2.79Å; M640-A642 VanDerWaalsContact C-N 3.34Å; M640-A642 PolarHBondContact O-N 2.96Å; M640-V643 PolarHBondContact O-N 2.67Å; M640-G644 PolarHBondContact O-N 3.12Å; M640-L658 HydrophobicContact SD-CD2 3.63Å
641	R	95.1	Very high	89.6	Confident	78 Å²	78	59.5 Å²	59.5	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-38.3	178.1	-79.2	173	177.4	169.8	4	112.5	L637 E638 D639 G644 K645 V655 K656	L637-R641 WeakPolarHBondContact O-CB 3.36Å; L637-R641 VanDerWaalsContact O-CG 3.26Å; L637-R641 WeakPolarHBondContact O-CG 3.31Å; L637-R641 PolarHBondContact O-N 2.54Å; E638-R641 PolarHBondContact O-N 2.89Å; D639-R641 VanDerWaalsContact C-N 3.34Å; D639-R641 PolarHBondContact O-N 2.89Å; R641-G644 PolarHBondContact O-N 3.15Å; R641-K645 WeakPolarHBondContact O-CG 3.49Å; R641-K645 PolarHBondContact O-N 2.93Å; R641-V655 PolarHBondContact NE-O 3.45Å; R641-V655 PolarHBondContact NH2-O 3.41Å; R641-K656 PolarHBondContact NH2-O 3.26Å
642	A	92.3	Very high	88.8	Confident	58 Å²	58	56.2 Å²	56.2	48%	0.479	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-50.8	175	0	0	0	0	0	110.7	E638 D639 M640 G644 K645 E646	E638-A642 PolarHBondContact O-N 3.44Å; D639-A642 WeakPolarHBondContact O-CB 3.42Å; D639-A642 PolarHBondContact O-N 3.2Å; M640-A642 VanDerWaalsContact C-N 3.34Å; M640-A642 PolarHBondContact O-N 2.96Å; A642-G644 VanDerWaalsContact C-N 3.3Å; A642-G644 PolarHBondContact O-N 3.3Å; A642-K645 PolarHBondContact O-N 3.31Å; A642-E646 PolarHBondContact O-N 2.77Å
643	V	89.9	Confident	88.3	Confident	23 Å²	23	56.7 Å²	56.7	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-42.7	174.9	172.1	0	0	0	0	111.5	V578 R581 D639 M640 E646 A647	V578-V643 HydrophobicContact CG1-CG1 4.14Å; V578-V643 WeakPolarHBondContact O-CG1 3.42Å; R581-V643 HydrophobicContact CB-CG1 3.98Å; D639-V643 WeakPolarHBondContact O-CG2 3.16Å; D639-V643 PolarHBondContact O-N 3.28Å; M640-V643 PolarHBondContact O-N 2.67Å; V643-E646 PolarHBondContact O-N 3.07Å; V643-A647 WeakPolarHBondContact O-CB 3.4Å; V643-A647 PolarHBondContact O-N 3.35Å
644	G	87.5	Confident	88.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-44.3	177.5	0	0	0	0	0	112.9	M640 R641 A642 A647 G648 L649	M640-G644 PolarHBondContact O-N 3.12Å; R641-G644 PolarHBondContact O-N 3.15Å; A642-G644 VanDerWaalsContact C-N 3.3Å; A642-G644 PolarHBondContact O-N 3.3Å; G644-A647 PolarHBondContact O-N 3.18Å; G644-G648 PolarHBondContact O-N 3.4Å; G644-L649 WeakPolarHBondContact O-CB 3.41Å; G644-L649 PolarHBondContact O-N 3.46Å
645	K	88.6	Confident	88.1	Confident	156 Å²	156	51.9 Å²	51.9	68%	0.678	29%	0.285	S	S	*	.	H	α-helix	trans	-66.3	-43.9	178.5	-75.7	177.4	-177.4	178.5	0	111.3	R641 A642 A647 G648 Q654	R641-K645 WeakPolarHBondContact O-CG 3.49Å; R641-K645 PolarHBondContact O-N 2.93Å; A642-K645 PolarHBondContact O-N 3.31Å; K645-A647 VanDerWaalsContact C-N 3.25Å; K645-A647 PolarHBondContact O-N 3.36Å; K645-G648 PolarHBondContact O-N 2.97Å; K645-Q654 VanDerWaalsContact N-NE2 3.15Å
646	E	81.2	Confident	88	Confident	175 Å²	175	56.2 Å²	56.2	82%	0.818	30%	0.301	S	S	*	.	H	α-helix	trans	-59.5	-38.7	176.2	-172.9	-176.5	171.9	0	0	111.6	A642 V643 G648	A642-E646 PolarHBondContact O-N 2.77Å; V643-E646 PolarHBondContact O-N 3.07Å; E646-G648 PolarHBondContact O-N 2.84Å
647	A	71.1	Confident	88	Confident	42 Å²	42	57.3 Å²	57.3	35%	0.347	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	0.8	176.6	0	0	0	0	0	114.5	V578 V643 G644 K645	V578-A647 HydrophobicContact CB-CB 4.36Å; V578-A647 HydrophobicContact CG1-CB 3.45Å; V578-A647 VanDerWaalsContact CG1-CB 3.45Å; V578-A647 HydrophobicContact CG2-CB 3.95Å; V643-A647 WeakPolarHBondContact O-CB 3.4Å; V643-A647 PolarHBondContact O-N 3.35Å; G644-A647 PolarHBondContact O-N 3.18Å; K645-A647 VanDerWaalsContact C-N 3.25Å; K645-A647 PolarHBondContact O-N 3.36Å
648	G	72.7	Confident	87.9	Confident	56 Å²	56	56.9 Å²	56.9	58%	0.577	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	23	177.5	0	0	0	0	0	115.3	G644 K645 E646 K650	G644-G648 PolarHBondContact O-N 3.4Å; K645-G648 PolarHBondContact O-N 2.97Å; E646-G648 PolarHBondContact O-N 2.84Å; G648-K650 PolarHBondContact O-N 2.92Å
649	L	78.9	Confident	88	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.063	29%	0.289	C	S	.	.			trans	-65.1	132.3	171.7	-65.9	-174.7	0	0	0	110.7	I575 V578 Y579 G644 E653	I575-L649 HydrophobicContact CG1-CD2 4.34Å; I575-L649 HydrophobicContact CG2-CD1 4.06Å; V578-L649 HydrophobicContact CB-CD1 4.11Å; V578-L649 HydrophobicContact CB-CG 4.46Å; V578-L649 HydrophobicContact CG1-CD1 3.81Å; V578-L649 HydrophobicContact CG1-CG 4.11Å; V578-L649 HydrophobicContact CG2-CD2 4.19Å; V578-L649 HydrophobicContact CG2-CG 4.44Å; Y579-L649 HydrophobicContact CE1-CD1 4.03Å; G644-L649 WeakPolarHBondContact O-CB 3.41Å; G644-L649 PolarHBondContact O-N 3.46Å; L649-E653 HydrophobicContact CB-CB 4.17Å; L649-E653 HydrophobicContact CD2-CB 4.38Å
650	K	77.3	Confident	88.1	Confident	118 Å²	118	52.6 Å²	52.6	51%	0.513	28%	0.281	S	S	.	.			trans	-66.9	160.6	176.5	-61.9	177	179.8	178.6	0	110.7	G648 F652 E653 Q654	G648-K650 PolarHBondContact O-N 2.92Å; K650-F652 VanDerWaalsContact C-N 3.26Å; K650-F652 HydrophobicContact CB-CD1 3.99Å; K650-F652 HydrophobicContact CB-CE1 3.74Å; K650-F652 HydrophobicContact CB-CE2 4.49Å; K650-F652 HydrophobicContact CB-CZ 4.03Å; K650-F652 HydrophobicContact CD-CD1 4.42Å; K650-F652 HydrophobicContact CD-CE1 3.38Å; K650-F652 HydrophobicContact CD-CE2 4.23Å; K650-F652 HydrophobicContact CD-CZ 3.27Å; K650-F652 HydrophobicContact CG-CE1 4.21Å; K650-F652 HydrophobicContact CG-CZ 4.3Å; K650-F652 PolarHBondContact O-N 2.94Å; K650-E653 HydrophobicContact CB-CG 4.15Å; K650-E653 PolarHBondContact N-OE2 3.32Å; K650-E653 WeakPolarHBondContact O-CA 3.39Å; K650-E653 WeakPolarHBondContact O-CB 3.45Å; K650-E653 PolarHBondContact O-N 3.05Å; K650-Q654 WeakPolarHBondContact O-CG 3.22Å; K650-Q654 PolarHBondContact O-N 2.92Å
651	S	83.9	Confident	88.1	Confident	111 Å²	111	53.9 Å²	53.9	78%	0.776	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-55.7	-37.7	-178.6	52.3	0	0	0	0	113.8	Q654	S651-Q654 WeakPolarHBondContact O-CB 3.47Å; S651-Q654 PolarHBondContact O-N 3.24Å
652	F	79.1	Confident	88	Confident	28 Å²	28	51.9 Å²	51.9	12%	0.123	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-79.6	-15.9	177.6	62.8	-101.4	0	0	0	114	L564 E568 V570 K650 Q654	L564-F652 HydrophobicContact CD1-CB 4.19Å; L564-F652 HydrophobicContact CD1-CD2 4.45Å; E568-F652 HydrophobicContact CB-CD2 4.07Å; E568-F652 HydrophobicContact CB-CE1 4.4Å; E568-F652 HydrophobicContact CB-CE2 3.94Å; E568-F652 HydrophobicContact CB-CG 4.36Å; E568-F652 HydrophobicContact CB-CZ 4.08Å; E568-F652 HydrophobicContact CG-CD1 4.1Å; E568-F652 HydrophobicContact CG-CD2 4.49Å; E568-F652 HydrophobicContact CG-CE1 3.91Å; E568-F652 HydrophobicContact CG-CE2 4.35Å; E568-F652 HydrophobicContact CG-CG 4.36Å; E568-F652 HydrophobicContact CG-CZ 4.02Å; E568-F652 VanDerWaalsContact OE2-CZ 3.26Å; E568-F652 WeakPolarHBondContact OE2-CZ 3.29Å; V570-F652 HydrophobicContact CG2-CD2 3.77Å; V570-F652 HydrophobicContact CG2-CE2 4.04Å; K650-F652 VanDerWaalsContact C-N 3.26Å; K650-F652 HydrophobicContact CB-CD1 3.99Å; K650-F652 HydrophobicContact CB-CE1 3.74Å; K650-F652 HydrophobicContact CB-CE2 4.49Å; K650-F652 HydrophobicContact CB-CZ 4.03Å; K650-F652 HydrophobicContact CD-CD1 4.42Å; K650-F652 HydrophobicContact CD-CE1 3.38Å; K650-F652 HydrophobicContact CD-CE2 4.23Å; K650-F652 HydrophobicContact CD-CZ 3.27Å; K650-F652 HydrophobicContact CG-CE1 4.21Å; K650-F652 HydrophobicContact CG-CZ 4.3Å; K650-F652 PolarHBondContact O-N 2.94Å; F652-Q654 VanDerWaalsContact C-N 3.3Å
653	E	85.4	Confident	88.1	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.047	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-83.4	-11.5	171.7	-64.9	-178.9	128.2	0	0	111.5	K574 I575 L649 K650	K574-E653 IonicContact NZ-OE1 3.91Å; K574-E653 PolarHBondContact NZ-OE1 2.8Å; K574-E653 IonicContact NZ-OE2 2.79Å; K574-E653 PolarHBondContact NZ-OE2 3Å; I575-E653 HydrophobicContact CD1-CB 3.82Å; I575-E653 HydrophobicContact CD1-CG 4.26Å; I575-E653 WeakPolarHBondContact CD1-O 3.49Å; I575-E653 HydrophobicContact CG1-CB 4.04Å; I575-E653 WeakPolarHBondContact CG2-O 3.44Å; L649-E653 HydrophobicContact CB-CB 4.17Å; L649-E653 HydrophobicContact CD2-CB 4.38Å; K650-E653 HydrophobicContact CB-CG 4.15Å; K650-E653 PolarHBondContact N-OE2 3.32Å; K650-E653 WeakPolarHBondContact O-CA 3.39Å; K650-E653 WeakPolarHBondContact O-CB 3.45Å; K650-E653 PolarHBondContact O-N 3.05Å
654	Q	93.1	Very high	88.2	Confident	20 Å²	20	57 Å²	57	9%	0.093	30%	0.297	C	S	.	.	S	Bend	trans	-79.7	126.5	179.5	-66.6	-79.4	2.8	0	0	110.8	Y579 K645 K650 S651 F652 K656	Y579-Q654 VanDerWaalsContact OH-CA 3.27Å; Y579-Q654 WeakPolarHBondContact OH-CA 3.38Å; Y579-Q654 PolarHBondContact OH-OE1 3.23Å; K645-Q654 VanDerWaalsContact N-NE2 3.15Å; K650-Q654 WeakPolarHBondContact O-CG 3.22Å; K650-Q654 PolarHBondContact O-N 2.92Å; S651-Q654 WeakPolarHBondContact O-CB 3.47Å; S651-Q654 PolarHBondContact O-N 3.24Å; F652-Q654 VanDerWaalsContact C-N 3.3Å; Q654-K656 PolarHBondContact O-N 3.11Å
655	V	95.3	Very high	88.5	Confident	1 Å²	1	57 Å²	57	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	123	173.4	165.9	0	0	0	0	109.8	Y579 V590 V599 L637 R641 D657 L658	Y579-V655 HydrophobicContact CD2-CG2 4.36Å; Y579-V655 HydrophobicContact CE2-CB 3.93Å; Y579-V655 HydrophobicContact CE2-CG2 3.51Å; Y579-V655 PolarHBondContact OH-N 2.99Å; V590-V655 HydrophobicContact CG1-CG2 4.37Å; V590-V655 HydrophobicContact CG2-CG2 4.07Å; V599-V655 HydrophobicContact CG2-CG2 3.95Å; V599-V655 WeakPolarHBondContact O-CA 3.39Å; L637-V655 HydrophobicContact CD1-CG1 4.08Å; L637-V655 WeakPolarHBondContact CD1-O 3.47Å; R641-V655 PolarHBondContact NE-O 3.45Å; R641-V655 PolarHBondContact NH2-O 3.41Å; V655-D657 WeakPolarHBondContact CG1-O 3.25Å; V655-L658 HydrophobicContact CG1-CB 4.33Å
656	K	94.3	Very high	88.4	Confident	107 Å²	107	51.2 Å²	51.2	47%	0.465	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-37.1	-178.8	-169.7	68.6	177.9	-174.4	0	111.3	Y598 V599 R641 Q654	Y598-K656 HydrophobicContact CD1-CG 4.41Å; Y598-K656 HydrophobicContact CD2-CB 3.25Å; Y598-K656 HydrophobicContact CD2-CG 3.72Å; Y598-K656 HydrophobicContact CE2-CB 3.83Å; Y598-K656 HydrophobicContact CE2-CG 3.96Å; Y598-K656 HydrophobicContact CG-CB 3.71Å; Y598-K656 HydrophobicContact CG-CG 3.93Å; V599-K656 PolarHBondContact O-N 2.75Å; R641-K656 PolarHBondContact NH2-O 3.26Å; Q654-K656 PolarHBondContact O-N 3.11Å
657	D	96.1	Very high	88	Confident	25 Å²	25	45.6 Å²	45.6	13%	0.134	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.4	177.1	-163.6	19.9	0	0	0	111.4	V600 G601 K633 V655 M694	V600-D657 CarbonylContact C-O 3.48Å; V600-D657 VanDerWaalsContact CA-O 3.32Å; V600-D657 WeakPolarHBondContact CA-O 3.28Å; G601-D657 PolarHBondContact N-O 3.35Å; K633-D657 WeakPolarHBondContact CE-OD1 3.24Å; K633-D657 IonicContact NZ-OD1 3.32Å; K633-D657 PolarHBondContact NZ-OD1 3.12Å; K633-D657 IonicContact NZ-OD2 3.78Å; K633-D657 PolarHBondContact NZ-OD2 3.24Å; V655-D657 WeakPolarHBondContact CG1-O 3.25Å; D657-M694 HydrophobicContact CB-CB 4.2Å; D657-M694 HydrophobicContact CB-CG 4.26Å; D657-M694 HydrophobicContact CB-SD 4.39Å; D657-M694 WeakPolarHBondContact OD2-CG 3.36Å
658	L	96.6	Very high	88.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.9	179.9	71	81.9	0	0	0	113.7	G601 V603 K633 V636 L637 M640 V655 L660 M694	G601-L658 CarbonylContact O-C 3.57Å; G601-L658 WeakPolarHBondContact O-CA 3.38Å; V603-L658 HydrophobicContact CG2-CB 4.26Å; V603-L658 HydrophobicContact CG2-CD2 4.23Å; K633-L658 HydrophobicContact CB-CD1 4.39Å; K633-L658 HydrophobicContact CD-CD1 4.47Å; K633-L658 VanDerWaalsContact CD-O 3.28Å; K633-L658 WeakPolarHBondContact CD-O 3.35Å; K633-L658 WeakPolarHBondContact CE-O 3.39Å; K633-L658 HydrophobicContact CG-CD1 3.78Å; K633-L658 HydrophobicContact CG-CG 4.25Å; K633-L658 PolarHBondContact NZ-O 3.28Å; V636-L658 HydrophobicContact CB-CD2 4.41Å; V636-L658 HydrophobicContact CG1-CD2 3.97Å; L637-L658 HydrophobicContact CB-CD2 3.71Å; L637-L658 HydrophobicContact CB-CG 4.32Å; L637-L658 HydrophobicContact CD1-CD2 3.94Å; L637-L658 HydrophobicContact CD1-CG 4.42Å; L637-L658 HydrophobicContact CG-CD2 4.42Å; M640-L658 HydrophobicContact SD-CD2 3.63Å; V655-L658 HydrophobicContact CG1-CB 4.33Å; L658-L660 HydrophobicContact CD1-CD2 3.51Å; L658-L660 HydrophobicContact CD1-CG 3.7Å; L658-M694 WeakPolarHBondContact CA-SD 3.3Å
659	Y	97.6	Very high	88.8	Confident	81 Å²	81	48.1 Å²	48.1	32%	0.318	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.7	168	175.5	-103	0	0	0	109.6	G601 I602 V603 H661 F687 Q690	G601-Y659 PolarHBondContact O-N 3.47Å; I602-Y659 HydrophobicContact CD1-CD1 4.2Å; I602-Y659 HydrophobicContact CD1-CG 4.45Å; I602-Y659 HydrophobicContact CG2-CD1 4.29Å; V603-Y659 PolarHBondContact N-O 2.91Å; Y659-H661 HydrophobicContact CD1-CB 4.17Å; Y659-H661 HydrophobicContact CE1-CB 3.94Å; Y659-F687 HydrophobicContact CE1-CD1 4.45Å; Y659-F687 HydrophobicContact CE1-CE1 4.37Å; Y659-Q690 HydrophobicContact CD1-CB 4.4Å; Y659-Q690 HydrophobicContact CD1-CG 4.03Å; Y659-Q690 HydrophobicContact CD2-CB 4.48Å; Y659-Q690 HydrophobicContact CD2-CG 4.01Å; Y659-Q690 HydrophobicContact CE1-CG 4.05Å; Y659-Q690 HydrophobicContact CE2-CG 4.04Å; Y659-Q690 HydrophobicContact CG-CB 4.19Å; Y659-Q690 HydrophobicContact CG-CG 4.01Å
660	L	97.6	Very high	88.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118.9	175.2	-61	177.3	0	0	0	109.6	V603 P605 F610 C627 V632 K633 V636 L658	V603-L660 HydrophobicContact CB-CD2 4.08Å; V603-L660 HydrophobicContact CG1-CD2 3.93Å; V603-L660 CarbonylContact O-C 3.51Å; V603-L660 WeakPolarHBondContact O-CA 3.4Å; P605-L660 HydrophobicContact CG-CB 4.46Å; P605-L660 HydrophobicContact CG-CD2 4.07Å; F610-L660 HydrophobicContact CZ-CD1 4.19Å; C627-L660 HydrophobicContact CB-CB 4.11Å; C627-L660 WeakPolarHBondContact O-CB 3.09Å; V632-L660 HydrophobicContact CG1-CD1 4.18Å; K633-L660 HydrophobicContact CB-CD1 4.08Å; K633-L660 HydrophobicContact CB-CG 4.36Å; V636-L660 HydrophobicContact CB-CD2 4.29Å; V636-L660 HydrophobicContact CG1-CD2 4.05Å; V636-L660 HydrophobicContact CG2-CD2 4.24Å; L658-L660 HydrophobicContact CD1-CD2 3.51Å; L658-L660 HydrophobicContact CD1-CG 3.7Å
661	H	96.6	Very high	89.1	Confident	27 Å²	27	43.4 Å²	43.4	13%	0.125	25%	0.246	C	C	.	.			trans	-110.1	123.1	-178.7	-174.8	54.8	0	0	0	110.6	I602 V603 V604 P605 Y659 E663 F665 F687	I602-H661 HydrophobicContact CG2-CB 4.06Å; V603-H661 PolarHBondContact O-N 3.32Å; V604-H661 WeakPolarHBondContact CA-O 3.31Å; V604-H661 HydrophobicContact CG2-CB 4.44Å; P605-H661 VanDerWaalsContact CD-O 3.31Å; P605-H661 WeakPolarHBondContact CD-O 3.13Å; Y659-H661 HydrophobicContact CD1-CB 4.17Å; Y659-H661 HydrophobicContact CE1-CB 3.94Å; H661-E663 VanDerWaalsContact C-N 3.34Å; H661-E663 PolarHBondContact CD2-O 3.39Å; H661-E663 WeakPolarHBondContact NE2-CB 3.14Å; H661-E663 PolarHBondContact NE2-O 3.47Å; H661-E663 PolarHBondContact O-N 3.38Å; H661-F665 AromaticContact CD2-CE1 3.98Å; H661-F687 HydrophobicContact CB-CE1 4.39Å; H661-F687 AromaticContact CD2-CE1 3.95Å; H661-F687 AromaticContact CD2-CZ 3.53Å; H661-F687 AromaticContact CE1-CE1 3.78Å; H661-F687 AromaticContact CE1-CZ 3.85Å; H661-F687 AromaticContact CG-CE1 3.76Å; H661-F687 AromaticContact CG-CZ 3.82Å; H661-F687 AromaticContact ND1-CE1 3.65Å; H661-F687 AromaticContact NE2-CE1 3.95Å; H661-F687 AromaticContact NE2-CZ 3.54Å
662	P	93.9	Very high	88.7	Confident	37 Å²	37	38.3 Å²	38.3	24%	0.24	21%	0.21	C	C	.	.	S	Bend	trans	-76.4	-17.8	-174	29	-35.8	0	0	0	114.2	K607 Y623 C627	K607-P662 WeakPolarHBondContact CE-O 3.46Å; Y623-P662 HydrophobicContact CD1-CB 4.25Å; Y623-P662 HydrophobicContact CE1-CB 3.59Å; Y623-P662 VanDerWaalsContact CE1-O 3.24Å; Y623-P662 WeakPolarHBondContact CE1-O 3.48Å; Y623-P662 PolarHBondContact OH-O 3.28Å; C627-P662 HydrophobicContact CB-CB 4.41Å
663	E	93.4	Very high	88.2	Confident	104 Å²	104	38 Å²	38	49%	0.486	21%	0.21	S	C	.	.	S	Bend	trans	-96	140.1	-179	-161.1	-171	143.4	0	0	111.3	V604 H661 N669	V604-E663 WeakPolarHBondContact CG2-O 3.28Å; H661-E663 VanDerWaalsContact C-N 3.34Å; H661-E663 PolarHBondContact CD2-O 3.39Å; H661-E663 WeakPolarHBondContact NE2-CB 3.14Å; H661-E663 PolarHBondContact NE2-O 3.47Å; H661-E663 PolarHBondContact O-N 3.38Å; E663-N669 PolarHBondContact OE1-ND2 3.39Å
664	M	92.9	Very high	86.8	Confident	84 Å²	84	38.3 Å²	38.3	41%	0.414	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-74.5	135.7	179.4	-167	-178.4	-172.4	0	0	110.2	L586 S666 N669	L586-M664 HydrophobicContact CD2-CE 4.31Å; L586-M664 HydrophobicContact CD2-CG 4.49Å; M664-S666 PolarHBondContact O-N 2.77Å; M664-N669 PolarHBondContact O-ND2 3.34Å
665	F	92.8	Very high	85.2	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-63.3	123.7	165.3	-48	-30.4	0	0	0	107.8	Q587 F589 I602 V604 H661 L671 L672 I683 F687	Q587-F665 HydrophobicContact CB-CD2 4.09Å; Q587-F665 HydrophobicContact CB-CE2 4.31Å; Q587-F665 PolarHBondContact NE2-O 3.02Å; F589-F665 HydrophobicContact CB-CE2 3.93Å; F589-F665 HydrophobicContact CB-CZ 4.28Å; I602-F665 HydrophobicContact CB-CZ 4.29Å; I602-F665 HydrophobicContact CG2-CE1 4.27Å; I602-F665 HydrophobicContact CG2-CZ 3.81Å; V604-F665 HydrophobicContact CG2-CD1 4.07Å; V604-F665 HydrophobicContact CG2-CE1 3.82Å; V604-F665 HydrophobicContact CG2-CE2 4.29Å; V604-F665 HydrophobicContact CG2-CG 4.43Å; V604-F665 HydrophobicContact CG2-CZ 3.94Å; H661-F665 AromaticContact CD2-CE1 3.98Å; F665-L671 HydrophobicContact CB-CB 3.85Å; F665-L671 HydrophobicContact CB-CD1 4.42Å; F665-L671 HydrophobicContact CD1-CB 4.34Å; F665-L671 HydrophobicContact CD1-CD1 3.54Å; F665-L671 HydrophobicContact CE1-CD1 4.2Å; F665-L671 HydrophobicContact CG-CB 4.3Å; F665-L671 HydrophobicContact CG-CD1 4.3Å; F665-L672 HydrophobicContact CB-CD1 4.48Å; F665-L672 HydrophobicContact CB-CD2 3.87Å; F665-L672 HydrophobicContact CB-CG 3.93Å; F665-L672 WeakPolarHBondContact O-CD1 3.45Å; F665-I683 HydrophobicContact CD2-CD1 4.31Å; F665-I683 HydrophobicContact CE2-CD1 4.45Å; F665-F687 HydrophobicContact CD1-CE2 4.46Å; F665-F687 AromaticContact CE1-CE2 3.65Å; F665-F687 HydrophobicContact CE1-CE2 3.65Å; F665-F687 AromaticContact CE1-CZ 3.86Å; F665-F687 HydrophobicContact CE1-CZ 3.86Å; F665-F687 HydrophobicContact CZ-CE2 4.27Å
666	S	86.3	Confident	83.9	Confident	34 Å²	34	41.2 Å²	41.2	24%	0.238	23%	0.23	C	C	.	.			trans	-135.1	169.2	-174.9	73.4	0	0	0	0	110.8	M664 A668 N669 L671 L672	M664-S666 PolarHBondContact O-N 2.77Å; S666-A668 VanDerWaalsContact C-N 3.3Å; S666-A668 PolarHBondContact OG-N 2.83Å; S666-N669 WeakPolarHBondContact CA-OD1 3.38Å; S666-N669 PolarHBondContact N-OD1 2.64Å; S666-N669 PolarHBondContact O-OD1 3.23Å; S666-N669 PolarHBondContact OG-N 2.77Å; S666-N669 PolarHBondContact OG-ND2 3.38Å; S666-N669 PolarHBondContact OG-OD1 2.83Å; S666-N669 VanDerWaalsContact OG-OD1 3.08Å; S666-L671 PolarHBondContact O-N 3.41Å; S666-L671 VanDerWaalsContact O-N 3.17Å; S666-L672 PolarHBondContact O-N 3.09Å
667	I	73.2	Confident	82.8	Confident	56 Å²	56	39.5 Å²	39.5	29%	0.287	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-39.5	169.2	-72	176.6	0	0	0	110	T182 N669 G670 L672 T673 L676	T182-I667 HydrophobicContact CG2-CB 4.41Å; T182-I667 HydrophobicContact CG2-CG2 3.01Å; I667-N669 PolarHBondContact O-N 3.45Å; I667-G670 PolarHBondContact O-N 2.99Å; I667-G670 VanDerWaalsContact O-N 3.07Å; I667-L672 HydrophobicContact CG1-CB 4.27Å; I667-T673 WeakPolarHBondContact CG1-O 3.41Å; I667-L676 HydrophobicContact CD1-CD2 3.76Å; I667-L676 HydrophobicContact CG1-CD2 4.13Å
668	A	75.3	Confident	82	Confident	102 Å²	102	40.1 Å²	40.1	84%	0.843	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-38	-175.4	0	0	0	0	0	113.2	S666 G670	S666-A668 VanDerWaalsContact C-N 3.3Å; S666-A668 PolarHBondContact OG-N 2.83Å; A668-G670 VanDerWaalsContact C-N 3.27Å; A668-G670 PolarHBondContact O-N 2.89Å
669	N	85.3	Confident	81	Confident	50 Å²	50	43.7 Å²	43.7	27%	0.267	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	9.5	174.3	63.7	19.3	0	0	0	113.5	E663 M664 S666 I667 L671	E663-N669 PolarHBondContact OE1-ND2 3.39Å; M664-N669 PolarHBondContact O-ND2 3.34Å; S666-N669 WeakPolarHBondContact CA-OD1 3.38Å; S666-N669 PolarHBondContact N-OD1 2.64Å; S666-N669 PolarHBondContact O-OD1 3.23Å; S666-N669 PolarHBondContact OG-N 2.77Å; S666-N669 PolarHBondContact OG-ND2 3.38Å; S666-N669 PolarHBondContact OG-OD1 2.83Å; S666-N669 VanDerWaalsContact OG-OD1 3.08Å; I667-N669 PolarHBondContact O-N 3.45Å; N669-L671 PolarHBondContact O-N 3.48Å; N669-L671 WeakPolarHBondContact OD1-CB 3.38Å; N669-L671 WeakPolarHBondContact OD1-CG 3.32Å; N669-L671 PolarHBondContact OD1-N 3.43Å
670	G	78.1	Confident	80.4	Confident	23 Å²	23	41.5 Å²	41.5	24%	0.237	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	11.6	174.7	0	0	0	0	0	114.9	I667 A668 R679	I667-G670 PolarHBondContact O-N 2.99Å; I667-G670 VanDerWaalsContact O-N 3.07Å; A668-G670 VanDerWaalsContact C-N 3.27Å; A668-G670 PolarHBondContact O-N 2.89Å; G670-R679 VanDerWaalsContact O-CD 3.24Å; G670-R679 WeakPolarHBondContact O-CD 3.37Å; G670-R679 PolarHBondContact O-NE 3.49Å
671	L	83.9	Confident	79.3	Confident	8 Å²	8	45 Å²	45	4%	0.042	26%	0.263	C	S	.	.	S	Bend	trans	-89.8	-17	-179.9	-60.7	-178.4	0	0	0	112.9	F665 S666 N669 R679 I683 V686 F687	F665-L671 HydrophobicContact CB-CB 3.85Å; F665-L671 HydrophobicContact CB-CD1 4.42Å; F665-L671 HydrophobicContact CD1-CB 4.34Å; F665-L671 HydrophobicContact CD1-CD1 3.54Å; F665-L671 HydrophobicContact CE1-CD1 4.2Å; F665-L671 HydrophobicContact CG-CB 4.3Å; F665-L671 HydrophobicContact CG-CD1 4.3Å; S666-L671 PolarHBondContact O-N 3.41Å; S666-L671 VanDerWaalsContact O-N 3.17Å; N669-L671 PolarHBondContact O-N 3.48Å; N669-L671 WeakPolarHBondContact OD1-CB 3.38Å; N669-L671 WeakPolarHBondContact OD1-CG 3.32Å; N669-L671 PolarHBondContact OD1-N 3.43Å; L671-R679 WeakPolarHBondContact O-CB 3.32Å; L671-R679 PolarHBondContact O-N 3.42Å; L671-I683 HydrophobicContact CB-CG1 4.11Å; L671-I683 HydrophobicContact CD2-CG1 3.98Å; L671-V686 HydrophobicContact CD2-CB 4.22Å; L671-V686 HydrophobicContact CD2-CG2 3.92Å; L671-F687 HydrophobicContact CD1-CE2 4.19Å; L671-F687 HydrophobicContact CD1-CZ 4.5Å
672	L	76.7	Confident	78.6	Confident	3 Å²	3	45 Å²	45	2%	0.016	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-115.5	151	172.5	-60.8	-175.4	0	0	0	112.6	F665 S666 I667 L676 K677 R679	F665-L672 HydrophobicContact CB-CD1 4.48Å; F665-L672 HydrophobicContact CB-CD2 3.87Å; F665-L672 HydrophobicContact CB-CG 3.93Å; F665-L672 WeakPolarHBondContact O-CD1 3.45Å; S666-L672 PolarHBondContact O-N 3.09Å; I667-L672 HydrophobicContact CG1-CB 4.27Å; L672-L676 HydrophobicContact CD1-CD2 4.37Å; L672-K677 CarbonylContact C-O 3.43Å; L672-K677 VanDerWaalsContact CA-O 3.25Å; L672-K677 WeakPolarHBondContact CA-O 3.31Å; L672-R679 WeakPolarHBondContact O-CD 3.43Å
673	T	68.1	Low	78.3	Confident	21 Å²	21	43.3 Å²	43.3	13%	0.129	25%	0.252	C	S	.	.			trans	-71.6	160.8	165.2	72.4	0	0	0	0	109.7	I667 T675 L676 K677 R679	I667-T673 WeakPolarHBondContact CG1-O 3.41Å; T673-T675 PolarHBondContact O-N 2.98Å; T673-T675 VanDerWaalsContact O-N 3.16Å; T673-T675 PolarHBondContact OG1-N 2.85Å; T673-T675 PolarHBondContact OG1-OG1 3.06Å; T673-L676 WeakPolarHBondContact O-CA 3.43Å; T673-L676 PolarHBondContact O-N 3.17Å; T673-K677 HydrophobicContact CG2-CB 4.18Å; T673-K677 PolarHBondContact N-O 3.39Å; T673-K677 WeakPolarHBondContact OG1-CB 3.3Å; T673-K677 PolarHBondContact OG1-N 3.48Å; T673-K677 PolarHBondContact OG1-O 3.24Å; T673-R679 HydrophobicContact CG2-CG 3.68Å
674	P	55.8	Low	77.9	Confident	17 Å²	17	44.6 Å²	44.6	11%	0.11	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-34.9	-45.7	161.3	-45	47	0	0	0	118.3	Y180 T182 P323 H326 L676	Y180-P674 HydrophobicContact CD1-CB 4.4Å; Y180-P674 HydrophobicContact CD1-CG 3.52Å; Y180-P674 HydrophobicContact CD2-CB 4.05Å; Y180-P674 HydrophobicContact CD2-CG 3.68Å; Y180-P674 HydrophobicContact CE1-CB 3.78Å; Y180-P674 HydrophobicContact CE1-CG 3.28Å; Y180-P674 HydrophobicContact CE2-CB 3.27Å; Y180-P674 HydrophobicContact CE2-CG 3.36Å; Y180-P674 HydrophobicContact CG-CG 3.78Å; Y180-P674 VanDerWaalsContact OH-CA 3.28Å; Y180-P674 WeakPolarHBondContact OH-CA 3.42Å; Y180-P674 WeakPolarHBondContact OH-CB 3.42Å; T182-P674 HydrophobicContact CG2-CG 4.37Å; T182-P674 VanDerWaalsContact OG1-CD 3.24Å; T182-P674 WeakPolarHBondContact OG1-CD 3.28Å; T182-P674 WeakPolarHBondContact OG1-CG 3.4Å; P323-P674 HydrophobicContact CG-CB 4.38Å; H326-P674 WeakPolarHBondContact NE2-CB 3.39Å; P674-L676 PolarHBondContact O-N 3.28Å
675	T	59.3	Low	77.5	Confident	26 Å²	26	48.6 Å²	48.6	16%	0.16	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	19	179.9	59.8	0	0	0	0	112	H326 T673 K677	H326-T675 HydrophobicContact CB-CG2 4.37Å; H326-T675 VanDerWaalsContact CD2-CG2 3.44Å; H326-T675 WeakPolarHBondContact CD2-CG2 3.43Å; H326-T675 VanDerWaalsContact CG-CG2 3.49Å; H326-T675 WeakPolarHBondContact NE2-CG2 3.19Å; T673-T675 PolarHBondContact O-N 2.98Å; T673-T675 VanDerWaalsContact O-N 3.16Å; T673-T675 PolarHBondContact OG1-N 2.85Å; T673-T675 PolarHBondContact OG1-OG1 3.06Å; T675-K677 VanDerWaalsContact C-N 3.26Å; T675-K677 PolarHBondContact O-N 3.3Å
676	L	69.4	Low	77.6	Confident	57 Å²	57	52.5 Å²	52.5	30%	0.298	29%	0.287	S	S	.	.	S	Bend	trans	61.8	25.3	178.6	-52.9	175.6	0	0	0	114.7	V368 I667 L672 T673 P674	V368-L676 HydrophobicContact CG2-CD1 4.45Å; I667-L676 HydrophobicContact CD1-CD2 3.76Å; I667-L676 HydrophobicContact CG1-CD2 4.13Å; L672-L676 HydrophobicContact CD1-CD2 4.37Å; T673-L676 WeakPolarHBondContact O-CA 3.43Å; T673-L676 PolarHBondContact O-N 3.17Å; P674-L676 PolarHBondContact O-N 3.28Å
677	K	70.6	Confident	78	Confident	70 Å²	70	51.1 Å²	51.1	30%	0.304	28%	0.277	S	S	.	.			trans	-89.2	150.1	173.9	-59.9	-178.4	-179.6	-168.9	0	111	S437 L672 T673 T675 R679	S437-K677 WeakPolarHBondContact O-CE 3.2Å; S437-K677 PolarHBondContact O-NZ 3.48Å; L672-K677 CarbonylContact C-O 3.43Å; L672-K677 VanDerWaalsContact CA-O 3.25Å; L672-K677 WeakPolarHBondContact CA-O 3.31Å; T673-K677 HydrophobicContact CG2-CB 4.18Å; T673-K677 PolarHBondContact N-O 3.39Å; T673-K677 WeakPolarHBondContact OG1-CB 3.3Å; T673-K677 PolarHBondContact OG1-N 3.48Å; T673-K677 PolarHBondContact OG1-O 3.24Å; T675-K677 VanDerWaalsContact C-N 3.26Å; T675-K677 PolarHBondContact O-N 3.3Å; K677-R679 PolarHBondContact O-N 3.35Å
678	S	79.3	Confident	78.9	Confident	38 Å²	38	54.9 Å²	54.9	27%	0.266	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-63.7	123.8	176.7	-63.2	0	0	0	0	112.3	R680	S678-R680 VanDerWaalsContact C-N 3.28Å; S678-R680 PolarHBondContact O-N 3.31Å
679	R	74.2	Confident	79.8	Confident	75 Å²	75	56.7 Å²	56.7	28%	0.283	28%	0.284	S	S	.	.			trans	-78.8	77.9	169.2	-72.7	178.5	59.6	164.4	1.5	109.3	T182 G670 L671 L672 T673 K677 A681 D682 I683	T182-R679 PolarHBondContact O-NH1 3.13Å; G670-R679 VanDerWaalsContact O-CD 3.24Å; G670-R679 WeakPolarHBondContact O-CD 3.37Å; G670-R679 PolarHBondContact O-NE 3.49Å; L671-R679 WeakPolarHBondContact O-CB 3.32Å; L671-R679 PolarHBondContact O-N 3.42Å; L672-R679 WeakPolarHBondContact O-CD 3.43Å; T673-R679 HydrophobicContact CG2-CG 3.68Å; K677-R679 PolarHBondContact O-N 3.35Å; R679-A681 VanDerWaalsContact C-N 3.3Å; R679-A681 PolarHBondContact O-N 3.25Å; R679-A681 VanDerWaalsContact O-N 3.15Å; R679-D682 HydrophobicContact CB-CB 3.99Å; R679-D682 IonicContact CZ-OD2 3.3Å; R679-D682 IonicContact NE-OD2 3.17Å; R679-D682 PolarHBondContact NE-OD2 3.32Å; R679-D682 IonicContact NH2-OD1 2.7Å; R679-D682 IonicContact NH2-OD2 3.53Å; R679-D682 PolarHBondContact NH2-OD2 2.94Å; R679-D682 PolarHBondContact O-N 2.75Å; R679-I683 WeakPolarHBondContact O-CG1 3.45Å; R679-I683 PolarHBondContact O-N 3.3Å
680	R	85	Confident	80.3	Confident	36 Å²	36	56.7 Å²	56.7	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-52	-41.8	-168.2	-55	-167.7	80.7	79.9	14.5	114.4	E576 F589 V590 S678 R684	E576-R680 IonicContact OE1-CZ 2.98Å; E576-R680 VanDerWaalsContact OE1-CZ 3.29Å; E576-R680 IonicContact OE1-NH1 2.65Å; E576-R680 PolarHBondContact OE1-NH1 3.41Å; E576-R680 IonicContact OE1-NH2 2.66Å; E576-R680 PolarHBondContact OE1-NH2 2.95Å; E576-R680 IonicContact OE2-CZ 3.62Å; E576-R680 IonicContact OE2-NH1 3.38Å; E576-R680 PolarHBondContact OE2-NH1 2.85Å; F589-R680 HydrophobicContact CE2-CB 3.83Å; F589-R680 HydrophobicContact CE2-CG 4.01Å; F589-R680 HydrophobicContact CZ-CB 4.48Å; V590-R680 PolarHBondContact O-NH2 2.78Å; S678-R680 VanDerWaalsContact C-N 3.28Å; S678-R680 PolarHBondContact O-N 3.31Å; R680-R684 VanDerWaalsContact O-CB 3.31Å; R680-R684 WeakPolarHBondContact O-CB 3.28Å; R680-R684 PolarHBondContact O-N 3.04Å
681	A	76.4	Confident	81	Confident	77 Å²	77	55.8 Å²	55.8	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-65.4	-42.7	178.3	0	0	0	0	0	112.1	R679 R684 R685	R679-A681 VanDerWaalsContact C-N 3.3Å; R679-A681 PolarHBondContact O-N 3.25Å; R679-A681 VanDerWaalsContact O-N 3.15Å; A681-R684 PolarHBondContact O-N 3.4Å; A681-R685 WeakPolarHBondContact O-CB 3.47Å; A681-R685 PolarHBondContact O-N 3.46Å
682	D	80.4	Confident	81.3	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-43	177.2	-66	-66.1	0	0	0	111.7	R679 R685 V686	R679-D682 HydrophobicContact CB-CB 3.99Å; R679-D682 IonicContact CZ-OD2 3.3Å; R679-D682 IonicContact NE-OD2 3.17Å; R679-D682 PolarHBondContact NE-OD2 3.32Å; R679-D682 IonicContact NH2-OD1 2.7Å; R679-D682 IonicContact NH2-OD2 3.53Å; R679-D682 PolarHBondContact NH2-OD2 2.94Å; R679-D682 PolarHBondContact O-N 2.75Å; D682-R685 WeakPolarHBondContact O-CB 3.42Å; D682-R685 PolarHBondContact O-N 2.91Å; D682-R685 IonicContact OD1-CZ 3.55Å; D682-R685 IonicContact OD1-NE 3.56Å; D682-R685 IonicContact OD1-NH2 3.88Å; D682-R685 PolarHBondContact OD1-NH2 2.84Å; D682-V686 WeakPolarHBondContact O-CG2 3.29Å; D682-V686 PolarHBondContact O-N 3.44Å
683	I	88.1	Confident	82.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-46.9	174.4	-63	168.7	0	0	0	110.2	F589 F665 L671 R679 R685 V686 F687	F589-I683 HydrophobicContact CB-CG2 4.07Å; F589-I683 HydrophobicContact CD1-CB 4.5Å; F589-I683 HydrophobicContact CD1-CG2 3.44Å; F589-I683 VanDerWaalsContact CD1-CG2 3.44Å; F589-I683 HydrophobicContact CD2-CB 4.3Å; F589-I683 HydrophobicContact CD2-CD1 4.01Å; F589-I683 HydrophobicContact CD2-CG2 3.88Å; F589-I683 HydrophobicContact CE1-CB 4.43Å; F589-I683 HydrophobicContact CE1-CG2 3.72Å; F589-I683 HydrophobicContact CE2-CB 4.24Å; F589-I683 HydrophobicContact CE2-CD1 4.49Å; F589-I683 HydrophobicContact CE2-CG2 4.13Å; F589-I683 HydrophobicContact CG-CB 4.42Å; F589-I683 HydrophobicContact CG-CD1 4.43Å; F589-I683 HydrophobicContact CG-CG2 3.52Å; F589-I683 HydrophobicContact CZ-CB 4.3Å; F589-I683 HydrophobicContact CZ-CG2 4.05Å; F665-I683 HydrophobicContact CD2-CD1 4.31Å; F665-I683 HydrophobicContact CE2-CD1 4.45Å; L671-I683 HydrophobicContact CB-CG1 4.11Å; L671-I683 HydrophobicContact CD2-CG1 3.98Å; R679-I683 WeakPolarHBondContact O-CG1 3.45Å; R679-I683 PolarHBondContact O-N 3.3Å; I683-R685 VanDerWaalsContact C-N 3.27Å; I683-R685 PolarHBondContact O-N 3.47Å; I683-V686 PolarHBondContact O-N 2.68Å; I683-F687 HydrophobicContact CG2-CD2 3.63Å; I683-F687 HydrophobicContact CG2-CE2 4Å; I683-F687 VanDerWaalsContact O-CD2 3.27Å; I683-F687 WeakPolarHBondContact O-CD2 3.29Å; I683-F687 PolarHBondContact O-N 3.19Å
684	R	85.7	Confident	83.3	Confident	131 Å²	131	60.5 Å²	60.5	49%	0.494	30%	0.302	S	S	.	.	H	α-helix	trans	-58.1	-40.8	176.3	-178	-180	-179.9	178.1	4.7	112	H591 R680 A681 Q688 L691	H591-R684 PolarHBondContact NE2-NE 3.35Å; R680-R684 VanDerWaalsContact O-CB 3.31Å; R680-R684 WeakPolarHBondContact O-CB 3.28Å; R680-R684 PolarHBondContact O-N 3.04Å; A681-R684 PolarHBondContact O-N 3.4Å; R684-Q688 VanDerWaalsContact O-CA 3.28Å; R684-Q688 WeakPolarHBondContact O-CA 3.46Å; R684-Q688 WeakPolarHBondContact O-CB 3.28Å; R684-Q688 PolarHBondContact O-N 2.96Å; R684-L691 HydrophobicContact CB-CD1 4.44Å; R684-L691 HydrophobicContact CG-CD1 4.09Å
685	R	84.9	Confident	84.8	Confident	169 Å²	169	61 Å²	61	64%	0.638	30%	0.302	S	S	*	.	H	α-helix	trans	-65.9	-46.8	177.5	178.7	175.1	59.3	148.5	-4.6	111.7	A681 D682 I683	A681-R685 WeakPolarHBondContact O-CB 3.47Å; A681-R685 PolarHBondContact O-N 3.46Å; D682-R685 WeakPolarHBondContact O-CB 3.42Å; D682-R685 PolarHBondContact O-N 2.91Å; D682-R685 IonicContact OD1-CZ 3.55Å; D682-R685 IonicContact OD1-NE 3.56Å; D682-R685 IonicContact OD1-NH2 3.88Å; D682-R685 PolarHBondContact OD1-NH2 2.84Å; I683-R685 VanDerWaalsContact C-N 3.27Å; I683-R685 PolarHBondContact O-N 3.47Å
686	V	93.3	Very high	85.9	Confident	83 Å²	83	66.9 Å²	66.9	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-41.4	-179.6	168.8	0	0	0	0	111.8	L671 D682 I683	L671-V686 HydrophobicContact CD2-CB 4.22Å; L671-V686 HydrophobicContact CD2-CG2 3.92Å; D682-V686 WeakPolarHBondContact O-CG2 3.29Å; D682-V686 PolarHBondContact O-N 3.44Å; I683-V686 PolarHBondContact O-N 2.68Å
687	F	95.9	Very high	85.4	Confident	5 Å²	5	68 Å²	68	2%	0.022	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	20	-177.7	-61.5	-74.2	0	0	0	113.9	I602 Y659 H661 F665 L671 I683 Q689 Q690 L691	I602-F687 HydrophobicContact CD1-CB 3.96Å; I602-F687 HydrophobicContact CD1-CD1 4.39Å; I602-F687 HydrophobicContact CD1-CG 4.17Å; I602-F687 HydrophobicContact CG1-CB 4.08Å; I602-F687 HydrophobicContact CG1-CD2 4.31Å; I602-F687 HydrophobicContact CG1-CG 4.08Å; I602-F687 HydrophobicContact CG2-CD1 4.25Å; I602-F687 HydrophobicContact CG2-CD2 4.3Å; I602-F687 HydrophobicContact CG2-CE1 4.2Å; I602-F687 HydrophobicContact CG2-CE2 4.27Å; I602-F687 HydrophobicContact CG2-CG 4.3Å; I602-F687 HydrophobicContact CG2-CZ 4.23Å; Y659-F687 HydrophobicContact CE1-CD1 4.45Å; Y659-F687 HydrophobicContact CE1-CE1 4.37Å; H661-F687 HydrophobicContact CB-CE1 4.39Å; H661-F687 AromaticContact CD2-CE1 3.95Å; H661-F687 AromaticContact CD2-CZ 3.53Å; H661-F687 AromaticContact CE1-CE1 3.78Å; H661-F687 AromaticContact CE1-CZ 3.85Å; H661-F687 AromaticContact CG-CE1 3.76Å; H661-F687 AromaticContact CG-CZ 3.82Å; H661-F687 AromaticContact ND1-CE1 3.65Å; H661-F687 AromaticContact NE2-CE1 3.95Å; H661-F687 AromaticContact NE2-CZ 3.54Å; F665-F687 HydrophobicContact CD1-CE2 4.46Å; F665-F687 AromaticContact CE1-CE2 3.65Å; F665-F687 HydrophobicContact CE1-CE2 3.65Å; F665-F687 AromaticContact CE1-CZ 3.86Å; F665-F687 HydrophobicContact CE1-CZ 3.86Å; F665-F687 HydrophobicContact CZ-CE2 4.27Å; L671-F687 HydrophobicContact CD1-CE2 4.19Å; L671-F687 HydrophobicContact CD1-CZ 4.5Å; I683-F687 HydrophobicContact CG2-CD2 3.63Å; I683-F687 HydrophobicContact CG2-CE2 4Å; I683-F687 VanDerWaalsContact O-CD2 3.27Å; I683-F687 WeakPolarHBondContact O-CD2 3.29Å; I683-F687 PolarHBondContact O-N 3.19Å; F687-Q689 PolarHBondContact O-N 3.48Å; F687-Q690 PolarHBondContact O-N 3.11Å; F687-Q690 VanDerWaalsContact O-N 3.17Å; F687-Q690 PolarHBondContact O-OE1 3.37Å; F687-L691 HydrophobicContact CB-CD1 4.43Å; F687-L691 HydrophobicContact CB-CG 4.33Å; F687-L691 WeakPolarHBondContact O-CB 3.42Å; F687-L691 VanDerWaalsContact O-CG 3.27Å; F687-L691 WeakPolarHBondContact O-CG 3.49Å; F687-L691 PolarHBondContact O-N 3.41Å
688	Q	91.5	Very high	84.1	Confident	135 Å²	135	69.9 Å²	69.9	63%	0.631	35%	0.354	S	S	*	.	H	α-helix	trans	-55.9	-40.1	-172.8	-175.1	179.1	2.4	0	0	112.4	R684 A692	R684-Q688 VanDerWaalsContact O-CA 3.28Å; R684-Q688 WeakPolarHBondContact O-CA 3.46Å; R684-Q688 WeakPolarHBondContact O-CB 3.28Å; R684-Q688 PolarHBondContact O-N 2.96Å; Q688-A692 VanDerWaalsContact O-CB 3.3Å; Q688-A692 WeakPolarHBondContact O-CB 3.36Å; Q688-A692 PolarHBondContact O-N 3.42Å
689	Q	94.3	Very high	82.4	Confident	140 Å²	140	78.8 Å²	78.8	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-69.3	-43.8	-179.4	-169.3	176.1	15.8	0	0	111.9	F687 A692 N693	F687-Q689 PolarHBondContact O-N 3.48Å; Q689-A692 PolarHBondContact O-N 2.9Å; Q689-N693 WeakPolarHBondContact O-CB 3.39Å; Q689-N693 PolarHBondContact O-N 3.28Å; Q689-N693 PolarHBondContact O-ND2 3.49Å; Q689-N693 PolarHBondContact O-OD1 3.36Å
690	Q	95.4	Very high	82.8	Confident	49 Å²	49	79 Å²	79	23%	0.229	40%	0.402	C	S	.	.	H	α-helix	trans	-65.2	-44.6	178.4	-66	76.4	5.3	0	0	110.6	I602 Y659 F687 N693 M694	I602-Q690 HydrophobicContact CD1-CB 4.35Å; Y659-Q690 HydrophobicContact CD1-CB 4.4Å; Y659-Q690 HydrophobicContact CD1-CG 4.03Å; Y659-Q690 HydrophobicContact CD2-CB 4.48Å; Y659-Q690 HydrophobicContact CD2-CG 4.01Å; Y659-Q690 HydrophobicContact CE1-CG 4.05Å; Y659-Q690 HydrophobicContact CE2-CG 4.04Å; Y659-Q690 HydrophobicContact CG-CB 4.19Å; Y659-Q690 HydrophobicContact CG-CG 4.01Å; F687-Q690 PolarHBondContact O-N 3.11Å; F687-Q690 VanDerWaalsContact O-N 3.17Å; F687-Q690 PolarHBondContact O-OE1 3.37Å; Q690-N693 PolarHBondContact O-N 2.86Å; Q690-M694 WeakPolarHBondContact O-CG 3.12Å; Q690-M694 PolarHBondContact O-N 2.91Å
691	L	93.8	Very high	82.7	Confident	5 Å²	5	81.2 Å²	81.2	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-59.3	-46.8	174.9	-69	172.7	0	0	0	111.4	F589 H591 V600 I602 R684 F687 N693 M694 Y695	F589-L691 HydrophobicContact CE1-CD1 4.37Å; H591-L691 HydrophobicContact CB-CD1 4.39Å; H591-L691 HydrophobicContact CB-CD2 3.62Å; V600-L691 HydrophobicContact CG2-CD2 3.79Å; I602-L691 HydrophobicContact CD1-CD2 4.02Å; I602-L691 HydrophobicContact CD1-CG 4.37Å; I602-L691 HydrophobicContact CG1-CD2 4.17Å; R684-L691 HydrophobicContact CB-CD1 4.44Å; R684-L691 HydrophobicContact CG-CD1 4.09Å; F687-L691 HydrophobicContact CB-CD1 4.43Å; F687-L691 HydrophobicContact CB-CG 4.33Å; F687-L691 WeakPolarHBondContact O-CB 3.42Å; F687-L691 VanDerWaalsContact O-CG 3.27Å; F687-L691 WeakPolarHBondContact O-CG 3.49Å; F687-L691 PolarHBondContact O-N 3.41Å; L691-N693 VanDerWaalsContact C-N 3.31Å; L691-N693 PolarHBondContact O-N 2.91Å; L691-M694 HydrophobicContact CD2-CE 3.75Å; L691-M694 PolarHBondContact O-N 3.46Å; L691-Y695 WeakPolarHBondContact O-CD2 3.32Å; L691-Y695 PolarHBondContact O-N 2.87Å
692	A	89.9	Confident	83.1	Confident	38 Å²	38	81.4 Å²	81.4	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-39.2	176.9	0	0	0	0	0	112.1	Q688 Q689 Y695 K696	Q688-A692 VanDerWaalsContact O-CB 3.3Å; Q688-A692 WeakPolarHBondContact O-CB 3.36Å; Q688-A692 PolarHBondContact O-N 3.42Å; Q689-A692 PolarHBondContact O-N 2.9Å; A692-Y695 PolarHBondContact O-N 3.5Å; A692-K696 WeakPolarHBondContact O-CB 3.42Å; A692-K696 VanDerWaalsContact O-CG 3.23Å; A692-K696 WeakPolarHBondContact O-CG 3.33Å; A692-K696 PolarHBondContact O-N 3.15Å
693	N	91.9	Very high	83.2	Confident	84 Å²	84	84.6 Å²	84.6	45%	0.449	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-43.5	177.6	-71.2	-11.7	0	0	0	111.9	Q689 Q690 L691 Y695 K696 T697	Q689-N693 WeakPolarHBondContact O-CB 3.39Å; Q689-N693 PolarHBondContact O-N 3.28Å; Q689-N693 PolarHBondContact O-ND2 3.49Å; Q689-N693 PolarHBondContact O-OD1 3.36Å; Q690-N693 PolarHBondContact O-N 2.86Å; L691-N693 VanDerWaalsContact C-N 3.31Å; L691-N693 PolarHBondContact O-N 2.91Å; N693-Y695 PolarHBondContact O-N 3.43Å; N693-K696 PolarHBondContact O-N 2.85Å; N693-T697 PolarHBondContact O-N 3.09Å; N693-T697 VanDerWaalsContact O-N 3.09Å; N693-T697 PolarHBondContact O-OG1 3.01Å
694	M	93.6	Very high	82.9	Confident	8 Å²	8	89.9 Å²	89.9	4%	0.039	45%	0.445	C	S	.	.	H	α-helix	trans	-63.7	-26.9	178.2	-68.3	-172.5	-70.8	0	0	113.6	V600 I602 D657 L658 Q690 L691	V600-M694 HydrophobicContact CB-CB 4.01Å; V600-M694 HydrophobicContact CB-CE 3.88Å; V600-M694 HydrophobicContact CB-SD 4.06Å; V600-M694 HydrophobicContact CG1-CB 3.75Å; V600-M694 HydrophobicContact CG2-CB 4.38Å; V600-M694 HydrophobicContact CG2-CE 3.82Å; I602-M694 HydrophobicContact CD1-CE 3.73Å; D657-M694 HydrophobicContact CB-CB 4.2Å; D657-M694 HydrophobicContact CB-CG 4.26Å; D657-M694 HydrophobicContact CB-SD 4.39Å; D657-M694 WeakPolarHBondContact OD2-CG 3.36Å; L658-M694 WeakPolarHBondContact CA-SD 3.3Å; Q690-M694 WeakPolarHBondContact O-CG 3.12Å; Q690-M694 PolarHBondContact O-N 2.91Å; L691-M694 HydrophobicContact CD2-CE 3.75Å; L691-M694 PolarHBondContact O-N 3.46Å
695	Y	88.1	Confident	82.7	Confident	27 Å²	27	87.2 Å²	87.2	11%	0.106	44%	0.442	C	S	.	.	H	α-helix	trans	-85.9	-19.7	171.6	-69.3	-58.4	0	0	0	114.3	H591 G592 D593 Q596 Y598 V600 L691 A692 N693	H591-Y695 AromaticContact CE1-CE2 3.74Å; H591-Y695 AromaticContact ND1-CE2 3.37Å; H591-Y695 WeakPolarHBondContact ND1-CE2 3.2Å; H591-Y695 AromaticContact ND1-CZ 3.69Å; H591-Y695 PolarHBondContact ND1-OH 3.08Å; H591-Y695 VanDerWaalsContact ND1-OH 3.11Å; H591-Y695 PolarHBondContact O-OH 3.48Å; G592-Y695 VanDerWaalsContact C-OH 3.29Å; G592-Y695 WeakPolarHBondContact CA-OH 3.31Å; G592-Y695 PolarHBondContact N-OH 3.33Å; D593-Y695 HydrophobicContact CB-CE2 4.08Å; D593-Y695 PolarHBondContact N-OH 2.9Å; Q596-Y695 HydrophobicContact CB-CD1 3.93Å; Q596-Y695 HydrophobicContact CB-CE1 3.77Å; Q596-Y695 HydrophobicContact CG-CD1 3.47Å; Q596-Y695 VanDerWaalsContact CG-CD1 3.47Å; Q596-Y695 HydrophobicContact CG-CE1 3.71Å; Q596-Y695 HydrophobicContact CG-CG 3.95Å; Y598-Y695 HydrophobicContact CD2-CD1 4.34Å; Y598-Y695 HydrophobicContact CD2-CE1 4.19Å; Y598-Y695 AromaticContact CE2-CD1 3.66Å; Y598-Y695 HydrophobicContact CE2-CD1 3.66Å; Y598-Y695 AromaticContact CE2-CE1 3.96Å; Y598-Y695 HydrophobicContact CE2-CE1 3.96Å; V600-Y695 HydrophobicContact CG1-CD1 3.98Å; V600-Y695 HydrophobicContact CG1-CE1 3.69Å; V600-Y695 HydrophobicContact CG2-CD2 4.42Å; V600-Y695 HydrophobicContact CG2-CE1 4.09Å; V600-Y695 HydrophobicContact CG2-CE2 3.76Å; L691-Y695 WeakPolarHBondContact O-CD2 3.32Å; L691-Y695 PolarHBondContact O-N 2.87Å; A692-Y695 PolarHBondContact O-N 3.5Å; N693-Y695 PolarHBondContact O-N 3.43Å
696	K	83	Confident	82.6	Confident	150 Å²	150	81.4 Å²	81.4	65%	0.652	43%	0.428	S	S	*	.	H	α-helix	trans	-83	-25.5	178.7	-81	175.1	-177.5	-177.7	0	113	A692 N693 P698	A692-K696 WeakPolarHBondContact O-CB 3.42Å; A692-K696 VanDerWaalsContact O-CG 3.23Å; A692-K696 WeakPolarHBondContact O-CG 3.33Å; A692-K696 PolarHBondContact O-N 3.15Å; N693-K696 PolarHBondContact O-N 2.85Å; K696-P698 WeakPolarHBondContact O-CD 3.5Å
697	T	58.4	Low	81.7	Confident	82 Å²	82	81.2 Å²	81.2	50%	0.503	42%	0.422	S	S	.	.			trans	-57	102.5	178.5	-44.5	0	0	0	0	108.3	N693	N693-T697 PolarHBondContact O-N 3.09Å; N693-T697 VanDerWaalsContact O-N 3.09Å; N693-T697 PolarHBondContact O-OG1 3.01Å
698	P	42.4	Very low	80.6	Confident	109 Å²	109	87.6 Å²	87.6	71%	0.708	46%	0.455	S	S	*	.			trans	-67.7	149.7	170.5	-2.2	22.7	0	0	0	106	K696	K696-P698 WeakPolarHBondContact O-CD 3.5Å
699	I	44.6	Very low	79.6	Confident	224 Å²	224	83.3 Å²	83.3	100%	1.149	44%	0.439	S	S	*	.			trans	-53.3	0	173.8	-61.2	171.3	0	0	0	110.1

Retrieved 699 of 699 residues in 1393.1 ms (Link to these results)

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