A0A087XED5_POEFO Loading...

Mitochondrial elongation factor 1

AlphaFold DB , UniProt , Accession A0A087XED5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 465 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	33	Very low	35.7	Very low	233 Å²	233	166.5 Å²	166.5	100%	1.148	82%	0.817	S	S	*	*				0	127.6	0	-66.1	174.3	172.7	0	0	108
2	N	29.3	Very low	36.8	Very low	137 Å²	137	164.6 Å²	164.6	73%	0.733	81%	0.813	S	S	*	*			cis	-168.1	133.1	-15.6	-102.3	-7.4	0	0	0	105.3
3	F	28.9	Very low	37.5	Very low	169 Å²	169	155.3 Å²	155.3	74%	0.741	79%	0.786	S	S	*	*			trans	46.6	115.3	147.3	-71.7	-90.8	0	0	0	121.1
4	Q	30.6	Very low	38.5	Very low	181 Å²	181	150.4 Å²	150.4	85%	0.846	77%	0.767	S	S	*	*				85.4	132.6	73.5	-94.5	-169	-7.2	0	0	116.6
5	G	28.4	Very low	39.5	Very low	75 Å²	75	143.9 Å²	143.9	77%	0.773	75%	0.746	S	S	*	*			trans	108.8	107.7	148.1	0	0	0	0	0	115.3
6	S	30.9	Very low	40.5	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	73%	0.734	S	S	*	*				97.3	112.7	62.8	165.9	0	0	0	0	113.9
7	R	40.4	Very low	41.1	Very low	233 Å²	233	137.3 Å²	137.3	88%	0.879	72%	0.721	S	S	*	*			trans	41.5	125.4	148.1	-77.6	-179.9	171.5	176.1	-2.1	120.4
8	R	36.7	Very low	41.9	Very low	234 Å²	234	134.3 Å²	134.3	88%	0.883	71%	0.705	S	S	*	*			trans	-139.9	99.8	134.5	-74.8	-166.9	-178.8	-178.5	1.3	110.9
9	R	46.9	Very low	42.7	Very low	254 Å²	254	132.6 Å²	132.6	96%	0.958	70%	0.696	S	S	*	*			trans	-114.4	98.8	162.9	-168.5	-174.2	-149.8	-171.8	7.1	103.5
10	G	41.9	Very low	43.3	Very low	53 Å²	53	132.9 Å²	132.9	55%	0.546	69%	0.692	S	S	.	*			trans	-172.9	-8.6	-169.9	0	0	0	0	0	117.7
11	E	45.3	Very low	43.4	Very low	150 Å²	150	131.9 Å²	131.9	70%	0.701	69%	0.687	S	S	*	*	S	Bend	trans	-95.5	-30.1	-174.6	-75.3	170.9	173.4	0	0	113.5	G13 V14	E11-G13 VanDerWaalsContact C-N 3.35Å; E11-G13 PolarHBondContact O-N 3.35Å; E11-V14 PolarHBondContact O-N 3.13Å
12	D	49	Very low	44.5	Very low	144 Å²	144	125.8 Å²	125.8	77%	0.77	66%	0.658	S	S	*	*	H	α-helix	trans	-73.4	-23.1	-178.5	-63.4	-25.4	0	0	0	114.5	T16	D12-T16 PolarHBondContact O-OG1 3.25Å
13	G	45.8	Very low	45.6	Very low	44 Å²	44	123 Å²	123	45%	0.454	65%	0.649	S	S	.	*	H	α-helix	trans	-78.3	-25.4	177.7	0	0	0	0	0	113.4	E11 T16 V17	E11-G13 VanDerWaalsContact C-N 3.35Å; E11-G13 PolarHBondContact O-N 3.35Å; G13-T16 WeakPolarHBondContact CA-OG1 3.22Å; G13-T16 PolarHBondContact O-OG1 3.29Å; G13-V17 WeakPolarHBondContact O-CB 3.25Å; G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 2.97Å
14	V	52.1	Low	46.3	Very low	86 Å²	86	117.6 Å²	117.6	52%	0.521	63%	0.628	S	S	.	*	H	α-helix	trans	-82	-39.7	-178.2	178.6	0	0	0	0	110.3	E11 T16 V17 I18	E11-V14 PolarHBondContact O-N 3.13Å; V14-T16 PolarHBondContact O-N 2.8Å; V14-V17 PolarHBondContact O-N 2.81Å; V14-I18 HydrophobicContact CG1-CD1 3.68Å; V14-I18 HydrophobicContact CG1-CG1 4.3Å; V14-I18 WeakPolarHBondContact O-CB 3.43Å; V14-I18 WeakPolarHBondContact O-CG1 3.48Å; V14-I18 PolarHBondContact O-N 2.98Å
15	A	52.7	Low	47	Very low	54 Å²	54	110.7 Å²	110.7	45%	0.446	60%	0.602	S	S	.	*	H	α-helix	trans	-61.6	-42.7	175.6	0	0	0	0	0	112.1	I18 D19	A15-I18 PolarHBondContact O-N 3.43Å; A15-D19 PolarHBondContact O-N 3.14Å
16	T	55.4	Low	47.8	Very low	91 Å²	91	118.2 Å²	118.2	56%	0.558	61%	0.607	S	S	*	*	H	α-helix	trans	-70.5	-32.4	178.1	43.8	0	0	0	0	113.3	D12 G13 V14 F20	D12-T16 PolarHBondContact O-OG1 3.25Å; G13-T16 WeakPolarHBondContact CA-OG1 3.22Å; G13-T16 PolarHBondContact O-OG1 3.29Å; V14-T16 PolarHBondContact O-N 2.8Å; T16-F20 VanDerWaalsContact O-CB 3.31Å; T16-F20 WeakPolarHBondContact O-CB 3.44Å; T16-F20 PolarHBondContact O-N 3.36Å
17	V	51.3	Low	48.4	Very low	84 Å²	84	119.8 Å²	119.8	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-73.2	-35.2	172.7	171.2	0	0	0	0	111.6	G13 V14 F20 L21	G13-V17 WeakPolarHBondContact O-CB 3.25Å; G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 2.97Å; V14-V17 PolarHBondContact O-N 2.81Å; V17-F20 PolarHBondContact O-N 3.01Å; V17-L21 HydrophobicContact CG1-CD1 3.96Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CB 3.18Å; V17-L21 VanDerWaalsContact O-CG 3.26Å; V17-L21 WeakPolarHBondContact O-CG 3.16Å; V17-L21 PolarHBondContact O-N 2.98Å
18	I	56.1	Low	48.7	Very low	84 Å²	84	114.2 Å²	114.2	43%	0.431	60%	0.597	S	S	.	*	H	α-helix	trans	-67.8	-43.5	174.6	-71.3	168.8	0	0	0	110.7	V14 A15 F20 L21 L22	V14-I18 HydrophobicContact CG1-CD1 3.68Å; V14-I18 HydrophobicContact CG1-CG1 4.3Å; V14-I18 WeakPolarHBondContact O-CB 3.43Å; V14-I18 WeakPolarHBondContact O-CG1 3.48Å; V14-I18 PolarHBondContact O-N 2.98Å; A15-I18 PolarHBondContact O-N 3.43Å; I18-F20 VanDerWaalsContact C-N 3.33Å; I18-F20 PolarHBondContact O-N 2.76Å; I18-L21 PolarHBondContact O-N 3.04Å; I18-L22 HydrophobicContact CG2-CD1 3.77Å; I18-L22 HydrophobicContact CG2-CG 4.47Å; I18-L22 WeakPolarHBondContact O-CB 3.16Å; I18-L22 WeakPolarHBondContact O-CG 3.28Å; I18-L22 PolarHBondContact O-N 2.87Å
19	D	56.8	Low	49.3	Very low	101 Å²	101	107.4 Å²	107.4	54%	0.54	58%	0.578	S	S	.	*	H	α-helix	trans	-66.2	-35.4	175.3	-84.7	-18.3	0	0	0	112	A15 S23	A15-D19 PolarHBondContact O-N 3.14Å; D19-S23 WeakPolarHBondContact O-CB 3.46Å; D19-S23 PolarHBondContact O-N 3.21Å; D19-S23 PolarHBondContact O-OG 2.58Å
20	F	54.2	Low	49.5	Very low	139 Å²	139	97.9 Å²	97.9	61%	0.61	56%	0.559	S	S	*	*	H	α-helix	trans	-68.1	-37.8	172.8	-172.7	-100.3	0	0	0	112.3	T16 V17 I18 N24	T16-F20 VanDerWaalsContact O-CB 3.31Å; T16-F20 WeakPolarHBondContact O-CB 3.44Å; T16-F20 PolarHBondContact O-N 3.36Å; V17-F20 PolarHBondContact O-N 3.01Å; I18-F20 VanDerWaalsContact C-N 3.33Å; I18-F20 PolarHBondContact O-N 2.76Å; F20-N24 WeakPolarHBondContact CD1-ND2 3.41Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.32Å; F20-N24 VanDerWaalsContact CZ-ND2 3.28Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.49Å; F20-N24 WeakPolarHBondContact O-CB 3.36Å; F20-N24 PolarHBondContact O-N 2.73Å; F20-N24 PolarHBondContact O-ND2 3.28Å
21	L	46.7	Very low	49.9	Very low	112 Å²	112	101.4 Å²	101.4	59%	0.586	57%	0.569	S	S	*	*	H	α-helix	trans	-71.1	-37.8	175.4	-76.3	168.3	0	0	0	112.3	V17 I18 N24 A25	V17-L21 HydrophobicContact CG1-CD1 3.96Å; V17-L21 HydrophobicContact CG1-CG 4.47Å; V17-L21 WeakPolarHBondContact O-CB 3.18Å; V17-L21 VanDerWaalsContact O-CG 3.26Å; V17-L21 WeakPolarHBondContact O-CG 3.16Å; V17-L21 PolarHBondContact O-N 2.98Å; I18-L21 PolarHBondContact O-N 3.04Å; L21-N24 PolarHBondContact O-N 2.96Å; L21-A25 VanDerWaalsContact O-CB 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.49Å; L21-A25 PolarHBondContact O-N 2.85Å
22	L	54.8	Low	49.8	Very low	105 Å²	105	96.7 Å²	96.7	55%	0.55	56%	0.561	S	S	.	*	H	α-helix	trans	-70.6	-39	175.5	-80.6	165.3	0	0	0	112.2	I18 N24 A25 R26	I18-L22 HydrophobicContact CG2-CD1 3.77Å; I18-L22 HydrophobicContact CG2-CG 4.47Å; I18-L22 WeakPolarHBondContact O-CB 3.16Å; I18-L22 WeakPolarHBondContact O-CG 3.28Å; I18-L22 PolarHBondContact O-N 2.87Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.9Å; L22-A25 PolarHBondContact O-N 3.43Å; L22-R26 PolarHBondContact O-N 2.65Å
23	S	52.8	Low	49.6	Very low	78 Å²	78	90.2 Å²	90.2	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-34.5	175.4	-58.6	0	0	0	0	111.8	D19	D19-S23 WeakPolarHBondContact O-CB 3.46Å; D19-S23 PolarHBondContact O-N 3.21Å; D19-S23 PolarHBondContact O-OG 2.58Å
24	N	43.5	Very low	50	Low	56 Å²	56	91.6 Å²	91.6	30%	0.299	54%	0.536	S	S	.	.	H	α-helix	trans	-83.6	-25.2	173.9	-73.7	-54.8	0	0	0	113.4	F20 L21 L22 R26 L27 V28	F20-N24 WeakPolarHBondContact CD1-ND2 3.41Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.32Å; F20-N24 VanDerWaalsContact CZ-ND2 3.28Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.49Å; F20-N24 WeakPolarHBondContact O-CB 3.36Å; F20-N24 PolarHBondContact O-N 2.73Å; F20-N24 PolarHBondContact O-ND2 3.28Å; L21-N24 PolarHBondContact O-N 2.96Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.9Å; N24-R26 VanDerWaalsContact C-N 3.3Å; N24-R26 PolarHBondContact O-N 3.05Å; N24-L27 CarbonylContact O-C 3.58Å; N24-L27 PolarHBondContact O-N 3.03Å; N24-V28 VanDerWaalsContact O-CB 3.29Å; N24-V28 WeakPolarHBondContact O-CB 3.35Å; N24-V28 VanDerWaalsContact O-CG2 3.29Å; N24-V28 WeakPolarHBondContact O-CG2 3.35Å; N24-V28 PolarHBondContact O-N 2.93Å
25	A	44.4	Very low	50	Low	36 Å²	36	90.2 Å²	90.2	30%	0.298	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-35.6	173.1	0	0	0	0	0	111.4	L21 L22 L27 L29	L21-A25 VanDerWaalsContact O-CB 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.49Å; L21-A25 PolarHBondContact O-N 2.85Å; L22-A25 PolarHBondContact O-N 3.43Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 2.83Å; A25-L29 HydrophobicContact CB-CD1 4.38Å; A25-L29 VanDerWaalsContact O-CB 3.27Å; A25-L29 WeakPolarHBondContact O-CB 3.27Å; A25-L29 PolarHBondContact O-N 3.32Å
26	R	45.6	Very low	49.7	Very low	233 Å²	233	93.4 Å²	93.4	88%	0.879	54%	0.542	S	S	*	.	H	α-helix	trans	-68.9	-21.7	170.2	-83	-176.8	168.7	171.5	-2.4	114.1	L22 N24	L22-R26 PolarHBondContact O-N 2.65Å; N24-R26 VanDerWaalsContact C-N 3.3Å; N24-R26 PolarHBondContact O-N 3.05Å
27	L	44.7	Very low	49.9	Very low	145 Å²	145	94 Å²	94	76%	0.759	54%	0.542	S	S	*	.	H	α-helix	trans	-94	-23.8	179.5	-140	104.8	0	0	0	112.9	N24 A25	N24-L27 CarbonylContact O-C 3.58Å; N24-L27 PolarHBondContact O-N 3.03Å; A25-L27 VanDerWaalsContact C-N 3.26Å; A25-L27 PolarHBondContact O-N 2.83Å
28	V	46.3	Very low	50.2	Low	115 Å²	115	91.6 Å²	91.6	70%	0.697	53%	0.533	S	S	*	.	H	α-helix	trans	-110.6	-22.2	-173	178.6	0	0	0	0	112.8	N24	N24-V28 VanDerWaalsContact O-CB 3.29Å; N24-V28 WeakPolarHBondContact O-CB 3.35Å; N24-V28 VanDerWaalsContact O-CG2 3.29Å; N24-V28 WeakPolarHBondContact O-CG2 3.35Å; N24-V28 PolarHBondContact O-N 2.93Å
29	L	48.5	Very low	50.2	Low	91 Å²	91	92.2 Å²	92.2	48%	0.476	54%	0.536	S	S	.	.	S	Bend	trans	-97.7	87.3	167.1	-68.8	159	0	0	0	108.6	A25	A25-L29 HydrophobicContact CB-CD1 4.38Å; A25-L29 VanDerWaalsContact O-CB 3.27Å; A25-L29 WeakPolarHBondContact O-CB 3.27Å; A25-L29 PolarHBondContact O-N 3.32Å
30	G	52.6	Low	49.9	Very low	54 Å²	54	89.9 Å²	89.9	56%	0.557	53%	0.532	S	S	*	.			trans	-57.8	177.8	161.7	0	0	0	0	0	111.5	G32 G33	G30-G32 PolarHBondContact O-N 2.72Å; G30-G33 PolarHBondContact O-N 3.47Å
31	V	50.1	Low	50.4	Low	127 Å²	127	87.4 Å²	87.4	77%	0.77	53%	0.528	S	S	*	.	H	α-helix	trans	-44.9	-31.5	-174	-174.1	0	0	0	0	114.6	G33	V31-G33 PolarHBondContact O-N 3.14Å
32	G	43.2	Very low	50.8	Low	51 Å²	51	86.1 Å²	86.1	53%	0.526	52%	0.521	S	S	.	.	H	α-helix	trans	-71.3	-21.6	175.5	0	0	0	0	0	116.1	G30 L36	G30-G32 PolarHBondContact O-N 2.72Å; G32-L36 PolarHBondContact O-N 3.39Å
33	G	43.9	Very low	50.7	Low	9 Å²	9	83.9 Å²	83.9	9%	0.093	52%	0.517	C	S	.	.	H	α-helix	trans	-75.4	-34.6	177.9	0	0	0	0	0	113.5	G30 V31 L36 L37	G30-G33 PolarHBondContact O-N 3.47Å; V31-G33 PolarHBondContact O-N 3.14Å; G33-L36 PolarHBondContact O-N 3.47Å; G33-L37 PolarHBondContact O-N 3.46Å; G33-L37 VanDerWaalsContact O-N 3.07Å
34	A	54.6	Low	50.9	Low	72 Å²	72	84.2 Å²	84.2	60%	0.595	52%	0.516	S	S	*	.	H	α-helix	trans	-67.8	-37.6	173.8	0	0	0	0	0	111.6	L37 G38	A34-L37 PolarHBondContact O-N 3.16Å; A34-G38 PolarHBondContact O-N 3.2Å
35	A	52.1	Low	52.1	Low	58 Å²	58	87.5 Å²	87.5	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-44.5	174.7	0	0	0	0	0	112.1	L37 G38 I39	A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 3.3Å; A35-G38 PolarHBondContact O-N 2.87Å; A35-I39 WeakPolarHBondContact O-CD1 3.06Å; A35-I39 VanDerWaalsContact O-CG1 3.24Å; A35-I39 WeakPolarHBondContact O-CG1 3.41Å; A35-I39 PolarHBondContact O-N 3.12Å
36	L	46.3	Very low	53	Low	120 Å²	120	92.4 Å²	92.4	63%	0.628	54%	0.538	S	S	*	.	H	α-helix	trans	-62.6	-36.9	174.4	-82.8	161.9	0	0	0	112.8	G32 G33 I39 A40	G32-L36 PolarHBondContact O-N 3.39Å; G33-L36 PolarHBondContact O-N 3.47Å; L36-I39 PolarHBondContact O-N 3.48Å; L36-A40 WeakPolarHBondContact O-CB 3.36Å; L36-A40 PolarHBondContact O-N 3.47Å
37	L	59.9	Low	53.5	Low	105 Å²	105	87.2 Å²	87.2	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-67.5	-41.1	175.2	-125.2	138.9	0	0	0	111.3	G33 A34 A35 A40 T41	G33-L37 PolarHBondContact O-N 3.46Å; G33-L37 VanDerWaalsContact O-N 3.07Å; A34-L37 PolarHBondContact O-N 3.16Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 3.3Å; L37-A40 PolarHBondContact O-N 2.92Å; L37-T41 PolarHBondContact O-N 3.41Å; L37-T41 PolarHBondContact O-OG1 3.45Å
38	G	58.1	Low	54.4	Low	32 Å²	32	85.7 Å²	85.7	33%	0.33	52%	0.519	S	S	.	.	H	α-helix	trans	-57.3	-48.5	171.7	0	0	0	0	0	112.4	A34 A35 A40 T41 L42	A34-G38 PolarHBondContact O-N 3.2Å; A35-G38 PolarHBondContact O-N 2.87Å; G38-A40 PolarHBondContact O-N 2.98Å; G38-T41 WeakPolarHBondContact CA-OG1 3.49Å; G38-T41 PolarHBondContact O-N 2.84Å; G38-T41 PolarHBondContact O-OG1 2.76Å; G38-L42 WeakPolarHBondContact O-CB 3.34Å; G38-L42 PolarHBondContact O-N 3.47Å
39	I	54.9	Low	55.3	Low	97 Å²	97	84.5 Å²	84.5	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-44.2	176.2	-66.9	162.4	0	0	0	111	A35 L36 L42 A43	A35-I39 WeakPolarHBondContact O-CD1 3.06Å; A35-I39 VanDerWaalsContact O-CG1 3.24Å; A35-I39 WeakPolarHBondContact O-CG1 3.41Å; A35-I39 PolarHBondContact O-N 3.12Å; L36-I39 PolarHBondContact O-N 3.48Å; I39-L42 PolarHBondContact O-N 3.28Å; I39-A43 WeakPolarHBondContact O-CB 3.42Å; I39-A43 PolarHBondContact O-N 3.12Å
40	A	51.4	Low	55.8	Low	53 Å²	53	89.8 Å²	89.8	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-41.7	178	0	0	0	0	0	111.8	L36 L37 G38 A43 V44	L36-A40 WeakPolarHBondContact O-CB 3.36Å; L36-A40 PolarHBondContact O-N 3.47Å; L37-A40 PolarHBondContact O-N 2.92Å; G38-A40 PolarHBondContact O-N 2.98Å; A40-A43 PolarHBondContact O-N 2.85Å; A40-V44 WeakPolarHBondContact O-CB 3.2Å; A40-V44 VanDerWaalsContact O-CG2 3.25Å; A40-V44 WeakPolarHBondContact O-CG2 3.24Å; A40-V44 PolarHBondContact O-N 3.03Å
41	T	64.4	Low	55.7	Low	86 Å²	86	90 Å²	90	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-36.4	175.1	36.2	0	0	0	0	113	L37 G38 V44 K45	L37-T41 PolarHBondContact O-N 3.41Å; L37-T41 PolarHBondContact O-OG1 3.45Å; G38-T41 WeakPolarHBondContact CA-OG1 3.49Å; G38-T41 PolarHBondContact O-N 2.84Å; G38-T41 PolarHBondContact O-OG1 2.76Å; T41-V44 PolarHBondContact O-N 2.92Å; T41-K45 WeakPolarHBondContact O-CB 3.23Å; T41-K45 PolarHBondContact O-N 3.07Å
42	L	54	Low	55.6	Low	86 Å²	86	85.8 Å²	85.8	45%	0.45	50%	0.498	S	S	.	.	H	α-helix	trans	-69.7	-41.8	176.9	-118.6	157.2	0	0	0	111.8	G38 I39 V44 K45 R46	G38-L42 WeakPolarHBondContact O-CB 3.34Å; G38-L42 PolarHBondContact O-N 3.47Å; I39-L42 PolarHBondContact O-N 3.28Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 PolarHBondContact O-N 2.89Å; L42-K45 PolarHBondContact O-N 3.47Å; L42-R46 WeakPolarHBondContact O-CB 3.26Å; L42-R46 PolarHBondContact O-N 3.39Å
43	A	53.3	Low	56	Low	57 Å²	57	91.6 Å²	91.6	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-43	174.1	0	0	0	0	0	111.3	I39 A40 L47	I39-A43 WeakPolarHBondContact O-CB 3.42Å; I39-A43 PolarHBondContact O-N 3.12Å; A40-A43 PolarHBondContact O-N 2.85Å; A43-L47 VanDerWaalsContact O-CB 3.27Å; A43-L47 WeakPolarHBondContact O-CB 3.35Å; A43-L47 PolarHBondContact O-N 3.39Å
44	V	57.9	Low	56.2	Low	85 Å²	85	93.5 Å²	93.5	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-41	175.9	172.2	0	0	0	0	111.5	A40 T41 L42 L47 I48	A40-V44 WeakPolarHBondContact O-CB 3.2Å; A40-V44 VanDerWaalsContact O-CG2 3.25Å; A40-V44 WeakPolarHBondContact O-CG2 3.24Å; A40-V44 PolarHBondContact O-N 3.03Å; T41-V44 PolarHBondContact O-N 2.92Å; L42-V44 VanDerWaalsContact C-N 3.34Å; L42-V44 PolarHBondContact O-N 2.89Å; V44-L47 PolarHBondContact O-N 3.2Å; V44-I48 HydrophobicContact CG1-CD1 3.8Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 VanDerWaalsContact O-CG1 3.29Å; V44-I48 WeakPolarHBondContact O-CG1 3.31Å; V44-I48 PolarHBondContact O-N 2.95Å
45	K	68	Low	56	Low	126 Å²	126	92.5 Å²	92.5	55%	0.548	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-47.1	175.5	-171.9	-177.2	175.6	-169	0	111.5	T41 L42 L47 I48 E49	T41-K45 WeakPolarHBondContact O-CB 3.23Å; T41-K45 PolarHBondContact O-N 3.07Å; L42-K45 PolarHBondContact O-N 3.47Å; K45-L47 VanDerWaalsContact C-N 3.29Å; K45-L47 PolarHBondContact O-N 3.17Å; K45-I48 PolarHBondContact O-N 2.91Å; K45-E49 VanDerWaalsContact CE-OE1 3.24Å; K45-E49 WeakPolarHBondContact CE-OE1 3.28Å; K45-E49 WeakPolarHBondContact O-CB 3.37Å; K45-E49 WeakPolarHBondContact O-CG 3.41Å; K45-E49 PolarHBondContact O-N 3.4Å
46	R	62.7	Low	55.8	Low	138 Å²	138	96.2 Å²	96.2	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-33.9	174.8	-77.6	-171.3	176.4	-177	0.4	111.9	L42 R50 D447	L42-R46 WeakPolarHBondContact O-CB 3.26Å; L42-R46 PolarHBondContact O-N 3.39Å; R46-R50 WeakPolarHBondContact O-CB 3.43Å; R46-R50 PolarHBondContact O-N 3.28Å; R46-D447 IonicContact NH1-OD1 3.88Å; R46-D447 IonicContact NH1-OD2 2.78Å; R46-D447 IonicContact NH2-OD1 3.19Å
47	L	55.9	Low	55.9	Low	124 Å²	124	95.5 Å²	95.5	65%	0.649	52%	0.515	S	S	*	.	H	α-helix	trans	-72.9	-36.4	178	-150.5	147.8	0	0	0	112	A43 V44 K45 A51	A43-L47 VanDerWaalsContact O-CB 3.27Å; A43-L47 WeakPolarHBondContact O-CB 3.35Å; A43-L47 PolarHBondContact O-N 3.39Å; V44-L47 PolarHBondContact O-N 3.2Å; K45-L47 VanDerWaalsContact C-N 3.29Å; K45-L47 PolarHBondContact O-N 3.17Å; L47-A51 WeakPolarHBondContact O-CB 3.13Å; L47-A51 PolarHBondContact O-N 2.94Å
48	I	64.7	Low	55.4	Low	114 Å²	114	96.8 Å²	96.8	59%	0.585	52%	0.518	S	S	*	.	H	α-helix	trans	-68.9	-43.2	173	-67.2	166.4	0	0	0	110.8	V44 K45 A51 G52	V44-I48 HydrophobicContact CG1-CD1 3.8Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 VanDerWaalsContact O-CG1 3.29Å; V44-I48 WeakPolarHBondContact O-CG1 3.31Å; V44-I48 PolarHBondContact O-N 2.95Å; K45-I48 PolarHBondContact O-N 2.91Å; I48-A51 PolarHBondContact O-N 2.65Å; I48-G52 PolarHBondContact O-N 3.1Å
49	E	64.4	Low	55.1	Low	89 Å²	89	102.8 Å²	102.8	42%	0.416	54%	0.535	S	S	.	.	H	α-helix	trans	-66.5	-36.7	175.8	-75.9	175.3	-175.5	0	0	112	K45 G52 R53	K45-E49 VanDerWaalsContact CE-OE1 3.24Å; K45-E49 WeakPolarHBondContact CE-OE1 3.28Å; K45-E49 WeakPolarHBondContact O-CB 3.37Å; K45-E49 WeakPolarHBondContact O-CG 3.41Å; K45-E49 PolarHBondContact O-N 3.4Å; E49-G52 PolarHBondContact O-N 2.98Å; E49-R53 WeakPolarHBondContact O-CB 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.44Å; E49-R53 PolarHBondContact O-N 3.29Å
50	R	58.7	Low	54.8	Low	202 Å²	202	101.8 Å²	101.8	76%	0.762	53%	0.533	S	S	*	.	H	α-helix	trans	-67.6	-36.9	173	-169.2	175.5	-176.2	123.7	1.1	112.2	R46 A54	R46-R50 WeakPolarHBondContact O-CB 3.43Å; R46-R50 PolarHBondContact O-N 3.28Å; R50-A54 WeakPolarHBondContact O-CB 3.22Å; R50-A54 PolarHBondContact O-N 2.95Å
51	A	50.6	Low	54.5	Low	60 Å²	60	105.8 Å²	105.8	50%	0.496	54%	0.543	S	S	.	.	H	α-helix	trans	-69.5	-35.8	173	0	0	0	0	0	112.1	L47 I48 A55	L47-A51 WeakPolarHBondContact O-CB 3.13Å; L47-A51 PolarHBondContact O-N 2.94Å; I48-A51 PolarHBondContact O-N 2.65Å; A51-A55 PolarHBondContact O-N 2.82Å; A51-A55 VanDerWaalsContact O-N 3.09Å
52	G	48.1	Very low	53.7	Low	37 Å²	37	107.9 Å²	107.9	38%	0.381	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-46.2	174	0	0	0	0	0	112.8	I48 E49 A55 E56	I48-G52 PolarHBondContact O-N 3.1Å; E49-G52 PolarHBondContact O-N 2.98Å; G52-A55 PolarHBondContact O-N 3.03Å; G52-E56 PolarHBondContact O-N 3Å; G52-E56 VanDerWaalsContact O-N 3.13Å
53	R	52.3	Low	53.2	Low	174 Å²	174	111.7 Å²	111.7	66%	0.657	56%	0.56	S	S	*	*	H	α-helix	trans	-68.2	-32.9	175.6	-72.4	-178.9	-179.4	164.1	1.7	112.8	E49 E56 N57	E49-R53 WeakPolarHBondContact O-CB 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.44Å; E49-R53 PolarHBondContact O-N 3.29Å; R53-E56 PolarHBondContact O-N 3.34Å; R53-N57 WeakPolarHBondContact O-CB 3.43Å; R53-N57 PolarHBondContact O-N 3.3Å
54	A	48.3	Very low	52.5	Low	48 Å²	48	114.9 Å²	114.9	40%	0.397	57%	0.566	S	S	.	*	H	α-helix	trans	-67.1	-38.4	173.5	0	0	0	0	0	112.2	R50 N57 E58	R50-A54 WeakPolarHBondContact O-CB 3.22Å; R50-A54 PolarHBondContact O-N 2.95Å; A54-N57 PolarHBondContact O-N 2.9Å; A54-E58 WeakPolarHBondContact O-CB 3.28Å; A54-E58 WeakPolarHBondContact O-CG 3.39Å; A54-E58 PolarHBondContact O-N 2.82Å
55	A	49.3	Very low	51.8	Low	51 Å²	51	113.1 Å²	113.1	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-71.9	-29.1	176.6	0	0	0	0	0	113.4	A51 G52 K59	A51-A55 PolarHBondContact O-N 2.82Å; A51-A55 VanDerWaalsContact O-N 3.09Å; G52-A55 PolarHBondContact O-N 3.03Å; A55-K59 PolarHBondContact O-N 3.38Å
56	E	48.8	Very low	50.5	Low	136 Å²	136	114.4 Å²	114.4	64%	0.636	57%	0.568	S	S	*	*	H	α-helix	trans	-74.2	-42.2	170	-78.8	-172.7	154.3	0	0	111.9	G52 R53 K59 V60	G52-E56 PolarHBondContact O-N 3Å; G52-E56 VanDerWaalsContact O-N 3.13Å; R53-E56 PolarHBondContact O-N 3.34Å; E56-K59 PolarHBondContact O-N 3.44Å; E56-V60 WeakPolarHBondContact O-CG2 3.4Å; E56-V60 PolarHBondContact O-N 3.14Å
57	N	47.7	Very low	49.3	Very low	105 Å²	105	112 Å²	112	56%	0.561	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-39.3	174.9	-89.7	-8.4	0	0	0	112.5	R53 A54 K59 V60 E61	R53-N57 WeakPolarHBondContact O-CB 3.43Å; R53-N57 PolarHBondContact O-N 3.3Å; A54-N57 PolarHBondContact O-N 2.9Å; N57-K59 VanDerWaalsContact C-N 3.3Å; N57-K59 PolarHBondContact O-N 3.48Å; N57-V60 PolarHBondContact O-N 3.04Å; N57-E61 WeakPolarHBondContact O-CB 3.47Å; N57-E61 PolarHBondContact O-N 2.94Å
58	E	50.7	Low	48.4	Very low	133 Å²	133	116 Å²	116	62%	0.621	58%	0.58	S	S	*	*	H	α-helix	trans	-62.5	-36.7	174.1	-83	-176.4	165.6	0	0	111.7	A54 Q62	A54-E58 WeakPolarHBondContact O-CB 3.28Å; A54-E58 WeakPolarHBondContact O-CG 3.39Å; A54-E58 PolarHBondContact O-N 2.82Å; E58-Q62 WeakPolarHBondContact O-CB 3.49Å; E58-Q62 PolarHBondContact O-N 2.93Å
59	K	50.3	Low	47	Very low	158 Å²	158	118.7 Å²	118.7	69%	0.687	59%	0.59	S	S	*	*	H	α-helix	trans	-70.9	-30.1	174.8	-86.8	179.7	176.9	174.3	0	113.6	A55 E56 N57 K63	A55-K59 PolarHBondContact O-N 3.38Å; E56-K59 PolarHBondContact O-N 3.44Å; N57-K59 VanDerWaalsContact C-N 3.3Å; N57-K59 PolarHBondContact O-N 3.48Å; K59-K63 PolarHBondContact O-N 3.41Å
60	V	49.3	Very low	45.6	Very low	76 Å²	76	122.6 Å²	122.6	46%	0.461	61%	0.608	S	S	.	*	H	α-helix	trans	-80.1	-41.2	176.5	173.9	0	0	0	0	110.6	E56 N57 K63 M64	E56-V60 WeakPolarHBondContact O-CG2 3.4Å; E56-V60 PolarHBondContact O-N 3.14Å; N57-V60 PolarHBondContact O-N 3.04Å; V60-K63 PolarHBondContact O-N 3.01Å; V60-M64 WeakPolarHBondContact O-CG 3.27Å; V60-M64 PolarHBondContact O-N 2.98Å
61	E	45.4	Very low	44.3	Very low	137 Å²	137	120.8 Å²	120.8	64%	0.64	61%	0.613	S	S	*	*	H	α-helix	trans	-65.8	-39.2	173.8	-83.7	-172.5	146.6	0	0	111.8	N57 K63 M64 A65	N57-E61 WeakPolarHBondContact O-CB 3.47Å; N57-E61 PolarHBondContact O-N 2.94Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 3.29Å; E61-M64 CarbonylContact O-C 3.53Å; E61-M64 PolarHBondContact O-N 3.31Å; E61-M64 VanDerWaalsContact O-N 3.13Å; E61-A65 VanDerWaalsContact O-CB 3.22Å; E61-A65 WeakPolarHBondContact O-CB 3.31Å; E61-A65 PolarHBondContact O-N 2.71Å
62	Q	46.7	Very low	43.2	Very low	129 Å²	129	123.7 Å²	123.7	60%	0.603	63%	0.629	S	S	*	*	H	α-helix	trans	-67.2	-33.7	177.2	-165.3	157.6	20.6	0	0	112.2	E58 E66	E58-Q62 WeakPolarHBondContact O-CB 3.49Å; E58-Q62 PolarHBondContact O-N 2.93Å; Q62-E66 WeakPolarHBondContact O-CG 3.48Å; Q62-E66 PolarHBondContact O-N 3.44Å
63	K	43.1	Very low	42.2	Very low	167 Å²	167	130 Å²	130	73%	0.726	65%	0.653	S	S	*	*	H	α-helix	trans	-72.3	-27.2	170.9	-83.3	-175.6	173.7	-178.8	0	113.7	K59 V60 E61	K59-K63 PolarHBondContact O-N 3.41Å; V60-K63 PolarHBondContact O-N 3.01Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 3.29Å
64	M	40.2	Very low	41.1	Very low	124 Å²	124	128 Å²	128	61%	0.611	66%	0.66	S	S	*	*	H	α-helix	trans	-83.9	-31.6	174.7	-75.6	-165.6	175.9	0	0	112.5	V60 E61 S67 W68	V60-M64 WeakPolarHBondContact O-CG 3.27Å; V60-M64 PolarHBondContact O-N 2.98Å; E61-M64 CarbonylContact O-C 3.53Å; E61-M64 PolarHBondContact O-N 3.31Å; E61-M64 VanDerWaalsContact O-N 3.13Å; M64-S67 PolarHBondContact O-N 2.8Å; M64-W68 PolarHBondContact O-N 3.26Å
65	A	43.4	Very low	40.1	Very low	48 Å²	48	130.7 Å²	130.7	40%	0.397	68%	0.676	S	S	.	*	H	α-helix	trans	-68.4	-39.5	178	0	0	0	0	0	111.8	E61 S67 W68 E69	E61-A65 VanDerWaalsContact O-CB 3.22Å; E61-A65 WeakPolarHBondContact O-CB 3.31Å; E61-A65 PolarHBondContact O-N 2.71Å; A65-S67 PolarHBondContact O-N 3.49Å; A65-S67 VanDerWaalsContact O-N 3.14Å; A65-W68 PolarHBondContact O-N 2.82Å; A65-E69 PolarHBondContact O-N 3.43Å
66	E	39.3	Very low	38.9	Very low	152 Å²	152	133 Å²	133	71%	0.71	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	173.1	-72.8	178.4	178.3	0	0	113.2	Q62	Q62-E66 WeakPolarHBondContact O-CG 3.48Å; Q62-E66 PolarHBondContact O-N 3.44Å
67	S	38	Very low	37.9	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-5.4	179.3	-171.9	0	0	0	0	114.1	M64 A65	M64-S67 PolarHBondContact O-N 2.8Å; A65-S67 PolarHBondContact O-N 3.49Å; A65-S67 VanDerWaalsContact O-N 3.14Å
68	W	37.4	Very low	37.2	Very low	206 Å²	206	132.3 Å²	132.3	78%	0.78	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	8.6	-176.5	-75.3	99.8	0	0	0	114.6	M64 A65 E70	M64-W68 PolarHBondContact O-N 3.26Å; A65-W68 PolarHBondContact O-N 2.82Å; W68-E70 PolarHBondContact O-N 2.92Å; W68-E70 VanDerWaalsContact O-N 3.1Å
69	E	34.4	Very low	36.3	Very low	171 Å²	171	131.3 Å²	131.3	80%	0.799	71%	0.714	S	S	*	*			trans	-80.6	38.1	167.4	-79.4	-178.4	156.5	0	0	113.4	A65	A65-E69 PolarHBondContact O-N 3.43Å
70	E	35.5	Very low	35.4	Very low	171 Å²	171	131.6 Å²	131.6	80%	0.799	72%	0.722	S	S	*	*	S	Bend	trans	-123.9	101.1	151.2	-87.3	-169.7	165.8	0	0	106.9	W68	W68-E70 PolarHBondContact O-N 2.92Å; W68-E70 VanDerWaalsContact O-N 3.1Å
71	L	31.2	Very low	34.7	Very low	165 Å²	165	136.1 Å²	136.1	86%	0.864	74%	0.743	S	S	*	*	S	Bend	trans	127.5	114	162.3	-64.9	164.3	0	0	0	113.5
72	S	27	Very low	34.3	Very low	120 Å²	120	140.3 Å²	140.3	84%	0.839	75%	0.753	S	S	*	*			trans	87.8	85.9	158.4	72.4	0	0	0	0	118.9
73	L	28.6	Very low	33.9	Very low	170 Å²	170	144.5 Å²	144.5	89%	0.89	77%	0.769	S	S	*	*			trans	-55.3	135.2	141.6	-68.2	157	0	0	0	109.9
74	V	29	Very low	33.5	Very low	132 Å²	132	138.9 Å²	138.9	80%	0.8	76%	0.758	S	S	*	*				172.7	117.1	123.5	158.6	0	0	0	0	110.5
75	S	26.1	Very low	33.6	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	76%	0.758	S	S	*	*			trans	-3.2	140.3	158.2	61.6	0	0	0	0	121.4
76	A	25.1	Very low	33.2	Very low	99 Å²	99	143.5 Å²	143.5	82%	0.818	77%	0.773	S	S	*	*				176.4	137.6	89.5	0	0	0	0	0	112.6
77	S	27.1	Very low	32.9	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	77%	0.773	S	S	*	*			trans	-90.5	163.9	166.7	-161.8	0	0	0	0	109.6
78	P	33.9	Very low	33.1	Very low	125 Å²	125	142.3 Å²	142.3	81%	0.812	77%	0.767	S	S	*	*				-146.5	144.2	84.9	33.5	-13.6	0	0	0	116.2
79	T	30.9	Very low	33.3	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.693	75%	0.753	S	S	*	*			trans	-61.6	145.6	154.6	46.6	0	0	0	0	112.7
80	L	31.9	Very low	33.6	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	75%	0.749	S	S	*	*			trans	155.1	101.3	134.1	-84.8	169	0	0	0	110.6
81	L	35.1	Very low	33.8	Very low	172 Å²	172	134.5 Å²	134.5	90%	0.901	74%	0.744	S	S	*	*			trans	-177.4	75.4	155.5	-99.5	169.8	0	0	0	109.7
82	R	36.6	Very low	34.4	Very low	225 Å²	225	132.8 Å²	132.8	85%	0.849	73%	0.731	S	S	*	*			trans	-137.5	20.7	176.2	-149.2	-174.3	173.8	171.6	0.1	115.4
83	K	38.9	Very low	35.2	Very low	216 Å²	216	131.4 Å²	131.4	94%	0.939	72%	0.717	S	S	*	*	S	Bend	trans	-125.4	12	178.8	-84.2	-171.5	173.6	-178	0	116
84	G	34.4	Very low	35.8	Very low	49 Å²	49	126.3 Å²	126.3	51%	0.505	70%	0.696	S	S	.	*	S	Bend	trans	-110.9	-11.4	178.1	0	0	0	0	0	116
85	I	42.2	Very low	36.3	Very low	119 Å²	119	127 Å²	127	61%	0.61	69%	0.688	S	S	*	*	S	Bend	trans	-95.3	-29.1	-166.2	-62.2	172.1	0	0	0	112.2	D87 V89	I85-D87 PolarHBondContact O-N 3.3Å; I85-V89 HydrophobicContact CG2-CG2 4.21Å; I85-V89 VanDerWaalsContact O-CG2 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.48Å; I85-V89 PolarHBondContact O-N 3.06Å
86	E	35	Very low	37.1	Very low	151 Å²	151	124.7 Å²	124.7	71%	0.706	68%	0.676	S	S	*	*	H	α-helix	trans	-70.5	-33.6	-176.2	-72.2	176.1	167.5	0	0	113.2
87	D	33.3	Very low	37.9	Very low	135 Å²	135	124.3 Å²	124.3	72%	0.722	66%	0.663	S	S	*	*	H	α-helix	trans	-81.9	-21.3	-177.9	-105.3	0.2	0	0	0	114	I85	I85-D87 PolarHBondContact O-N 3.3Å
88	V	42.3	Very low	38.5	Very low	80 Å²	80	127.5 Å²	127.5	49%	0.485	66%	0.664	S	S	.	*	H	α-helix	trans	-82.8	-39	178.4	177.7	0	0	0	0	110.3	M90 K91 H92	V88-M90 PolarHBondContact O-N 3.31Å; V88-K91 PolarHBondContact O-N 2.83Å; V88-H92 PolarHBondContact O-CD2 3.3Å; V88-H92 PolarHBondContact O-N 2.85Å
89	V	40.9	Very low	38.8	Very low	81 Å²	81	127.4 Å²	127.4	49%	0.491	65%	0.653	S	S	.	*	H	α-helix	trans	-67.5	-38.2	-178.7	176.3	0	0	0	0	111.9	I85 K91 H92 V93	I85-V89 HydrophobicContact CG2-CG2 4.21Å; I85-V89 VanDerWaalsContact O-CG2 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.48Å; I85-V89 PolarHBondContact O-N 3.06Å; V89-K91 VanDerWaalsContact C-N 3.33Å; V89-K91 PolarHBondContact O-N 3.34Å; V89-H92 PolarHBondContact O-N 3.4Å; V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.34Å
90	M	40.9	Very low	39.1	Very low	146 Å²	146	129.1 Å²	129.1	72%	0.719	65%	0.653	S	S	*	*	H	α-helix	trans	-66.8	-29.1	178.8	-79.4	-88.9	-94.3	0	0	114	V88 S94	V88-M90 PolarHBondContact O-N 3.31Å; M90-S94 PolarHBondContact O-OG 3.28Å
91	K	40.2	Very low	39.4	Very low	158 Å²	158	129.5 Å²	129.5	69%	0.687	65%	0.648	S	S	*	*	H	α-helix	trans	-82.2	-25.6	178.1	-83.4	178.1	177.9	168.9	0	113.8	V88 V89 S94	V88-K91 PolarHBondContact O-N 2.83Å; V89-K91 VanDerWaalsContact C-N 3.33Å; V89-K91 PolarHBondContact O-N 3.34Å; K91-S94 PolarHBondContact O-OG 3.21Å
92	H	43.1	Very low	39.4	Very low	129 Å²	129	123.9 Å²	123.9	60%	0.597	63%	0.626	S	S	*	*	H	α-helix	trans	-80.4	-37.2	177	-76.1	-67	0	0	0	112.5	V88 V89 K95 A96	V88-H92 PolarHBondContact O-CD2 3.3Å; V88-H92 PolarHBondContact O-N 2.85Å; V89-H92 PolarHBondContact O-N 3.4Å; H92-K95 PolarHBondContact O-N 3.13Å; H92-A96 PolarHBondContact O-N 2.75Å; H92-A96 VanDerWaalsContact O-N 3.14Å
93	V	43.1	Very low	39.4	Very low	90 Å²	90	119 Å²	119	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-65	-42.9	176.9	176.5	0	0	0	0	111	V89 K95 A96 T97	V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.34Å; V93-K95 VanDerWaalsContact C-N 3.33Å; V93-K95 PolarHBondContact O-N 3.18Å; V93-A96 PolarHBondContact O-N 3.02Å; V93-T97 PolarHBondContact O-N 3.01Å; V93-T97 PolarHBondContact O-OG1 3.44Å
94	S	42	Very low	39.3	Very low	63 Å²	63	116 Å²	116	44%	0.441	61%	0.61	S	S	.	*	H	α-helix	trans	-71.4	-21.9	-179.4	48.1	0	0	0	0	114.7	M90 K91	M90-S94 PolarHBondContact O-OG 3.28Å; K91-S94 PolarHBondContact O-OG 3.21Å
95	K	39.6	Very low	39.3	Very low	148 Å²	148	119 Å²	119	64%	0.643	62%	0.622	S	S	*	*	H	α-helix	trans	-79.7	-41.2	171	-106	-177.4	174.7	-177	0	112.1	H92 V93 T97 K98 Q99	H92-K95 PolarHBondContact O-N 3.13Å; V93-K95 VanDerWaalsContact C-N 3.33Å; V93-K95 PolarHBondContact O-N 3.18Å; K95-T97 PolarHBondContact O-N 3.33Å; K95-K98 PolarHBondContact O-N 2.58Å; K95-Q99 PolarHBondContact O-N 2.89Å
96	A	42.9	Very low	38.7	Very low	56 Å²	56	120.7 Å²	120.7	46%	0.463	63%	0.628	S	S	.	*	H	α-helix	trans	-62	-40.7	178.7	0	0	0	0	0	112.4	H92 V93 K98 Q99 Q100	H92-A96 PolarHBondContact O-N 2.75Å; H92-A96 VanDerWaalsContact O-N 3.14Å; V93-A96 PolarHBondContact O-N 3.02Å; A96-K98 VanDerWaalsContact C-N 3.32Å; A96-K98 PolarHBondContact O-N 2.69Å; A96-Q99 PolarHBondContact O-N 3.26Å; A96-Q100 PolarHBondContact O-N 2.92Å
97	T	40.6	Very low	38.5	Very low	90 Å²	90	121 Å²	121	55%	0.552	63%	0.634	S	S	*	*	H	α-helix	trans	-71.4	-23.8	-179.8	-29.9	0	0	0	0	113.6	V93 K95	V93-T97 PolarHBondContact O-N 3.01Å; V93-T97 PolarHBondContact O-OG1 3.44Å; K95-T97 PolarHBondContact O-N 3.33Å
98	K	41.1	Very low	38.2	Very low	168 Å²	168	123.1 Å²	123.1	73%	0.73	64%	0.644	S	S	*	*	H	α-helix	trans	-83.3	-30.6	175.9	-76.1	-177.6	178.6	179.5	0	112.6	K95 A96 A102	K95-K98 PolarHBondContact O-N 2.58Å; A96-K98 VanDerWaalsContact C-N 3.32Å; A96-K98 PolarHBondContact O-N 2.69Å; K98-A102 PolarHBondContact O-N 3.44Å
99	Q	38.9	Very low	37.5	Very low	124 Å²	124	128.3 Å²	128.3	58%	0.579	66%	0.664	S	S	*	*	H	α-helix	trans	-73.3	-40.8	178.5	-132	136.9	-13.7	0	0	111.4	K95 A96 K101 A102 D103	K95-Q99 PolarHBondContact O-N 2.89Å; A96-Q99 PolarHBondContact O-N 3.26Å; Q99-K101 PolarHBondContact O-N 3.02Å; Q99-A102 PolarHBondContact O-N 3.43Å; Q99-A102 VanDerWaalsContact O-N 3.1Å; Q99-D103 PolarHBondContact O-N 3.5Å
100	Q	38.4	Very low	36.8	Very low	148 Å²	148	131.2 Å²	131.2	69%	0.692	68%	0.681	S	S	*	*	H	α-helix	trans	-66.2	-23.7	178.8	-135	174.4	-2.7	0	0	114	A96	A96-Q100 PolarHBondContact O-N 2.92Å
101	K	37	Very low	36.2	Very low	171 Å²	171	129.9 Å²	129.9	74%	0.743	68%	0.683	S	S	*	*	H	α-helix	trans	-87.6	-17.6	176.5	-153.6	176.4	-175.9	178.1	0	113	Q99	Q99-K101 PolarHBondContact O-N 3.02Å
102	A	35.9	Very low	35.6	Very low	55 Å²	55	127.7 Å²	127.7	46%	0.455	69%	0.688	S	S	.	*	H	α-helix	trans	-87.3	-31.6	178.5	0	0	0	0	0	112.4	K98 Q99 L104 C105	K98-A102 PolarHBondContact O-N 3.44Å; Q99-A102 PolarHBondContact O-N 3.43Å; Q99-A102 VanDerWaalsContact O-N 3.1Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 2.73Å; A102-C105 PolarHBondContact O-N 2.85Å
103	D	35.6	Very low	34.8	Very low	122 Å²	122	127.5 Å²	127.5	65%	0.652	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-10.2	-179.9	-70.3	-20.9	0	0	0	114.1	Q99	Q99-D103 PolarHBondContact O-N 3.5Å
104	L	38	Very low	34.1	Very low	153 Å²	153	132 Å²	132	80%	0.801	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-2.6	175.7	-77.6	163.2	0	0	0	114	A102	A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 2.73Å
105	C	33.3	Very low	33.5	Very low	111 Å²	111	135.4 Å²	135.4	75%	0.75	73%	0.734	S	S	*	*	S	Bend	trans	-114.4	7.2	-176.4	-76.9	0	0	0	0	114.7	A102	A102-C105 PolarHBondContact O-N 2.85Å
106	Q	31.4	Very low	33	Very low	156 Å²	156	137 Å²	137	73%	0.729	74%	0.744	S	S	*	*			trans	-114	93.3	173.3	-75.9	-176.7	-6.8	0	0	110.2
107	N	29.9	Very low	32.7	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	76%	0.755	S	S	*	*			trans	172.1	92.3	134.8	-85.9	-33	0	0	0	108.3
108	L	27.8	Very low	32.3	Very low	178 Å²	178	144.3 Å²	144.3	93%	0.932	77%	0.768	S	S	*	*			trans	-170.1	80.3	154.1	-99	154	0	0	0	107.9
109	E	26	Very low	31.7	Very low	190 Å²	190	145 Å²	145	89%	0.888	77%	0.774	S	S	*	*			trans	-116	114.8	164.6	-80	-171.4	161.9	0	0	109.4
110	V	27.8	Very low	31.6	Very low	141 Å²	141	148.1 Å²	148.1	86%	0.855	79%	0.788	S	S	*	*			trans	-155.5	153.4	147.3	-131.3	0	0	0	0	107.8
111	P	27.8	Very low	31.3	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	80%	0.795	S	S	*	*			trans	-103.9	162.2	-131	12.1	12.2	0	0	0	113.7
112	S	26.8	Very low	31.3	Very low	112 Å²	112	147.5 Å²	147.5	78%	0.783	80%	0.802	S	S	*	*			trans	-64.6	141.6	176.4	53.6	0	0	0	0	114.3
113	S	26.1	Very low	31.5	Very low	124 Å²	124	149.2 Å²	149.2	87%	0.867	81%	0.811	S	S	*	*			trans	-149.3	118.6	143.8	-77.2	0	0	0	0	111.5
114	E	28.9	Very low	31.6	Very low	184 Å²	184	153.7 Å²	153.7	86%	0.86	82%	0.824	S	S	*	*			trans	6.6	151.4	159	-53.1	-174.8	145.8	0	0	125.4
115	V	28.9	Very low	31.7	Very low	136 Å²	136	158.3 Å²	158.3	82%	0.824	83%	0.831	S	S	*	*			trans	95.4	119.4	150.2	-155.5	0	0	0	0	119.2
116	Q	29.1	Very low	31.9	Very low	180 Å²	180	157.2 Å²	157.2	84%	0.841	83%	0.825	S	S	*	*			trans	-66.5	-176.5	173.6	-65.9	-173.9	-29.8	0	0	113.8
117	P	36.8	Very low	32.4	Very low	107 Å²	107	158.2 Å²	158.2	70%	0.695	83%	0.83	S	S	*	*			cis	-136.6	170.2	-2.2	21.2	5	0	0	0	117
118	K	32.5	Very low	33.1	Very low	194 Å²	194	159.2 Å²	159.2	84%	0.843	83%	0.834	S	S	*	*			trans	53	112.7	152.3	-73	178.3	178.2	178.4	0	119.1
119	H	28.2	Very low	34.2	Very low	183 Å²	183	155.5 Å²	155.5	85%	0.847	82%	0.822	S	S	*	*				-154.9	145	129.1	-109	-77.5	0	0	0	111.2	A121	H119-A121 PolarHBondContact O-N 3.45Å
120	E	37.4	Very low	36.5	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	81%	0.814	S	S	*	*			trans	-56.2	117.9	179.3	-63.7	161.3	143.8	0	0	111.9
121	A	32.6	Very low	39.1	Very low	100 Å²	100	147.1 Å²	147.1	83%	0.826	79%	0.79	S	S	*	*			trans	-135.4	53.6	162.4	0	0	0	0	0	109.4	H119	H119-A121 PolarHBondContact O-N 3.45Å
122	K	37	Very low	42.2	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.896	77%	0.774	S	S	*	*			trans	-72.7	131.9	156.8	-82.6	-178.3	176.1	177.8	0	107.4
123	S	39.8	Very low	45.3	Very low	91 Å²	91	140.6 Å²	140.6	64%	0.636	74%	0.742	S	S	*	*			trans	88.4	59.7	164.5	-156.6	0	0	0	0	118.4
124	K	37.5	Very low	48.6	Very low	216 Å²	216	135.9 Å²	135.9	94%	0.939	71%	0.707	S	S	*	*	S	Bend	trans	-128.8	32.4	144.6	-74.3	-168.3	179.6	-178.6	0	112
125	R	41.1	Very low	51.7	Low	250 Å²	250	131.4 Å²	131.4	94%	0.943	69%	0.686	S	S	*	*			trans	-127.2	33.3	176.3	-145.9	-179.7	-168.8	174.6	3.4	111.5
126	S	36.9	Very low	54.7	Low	88 Å²	88	128.3 Å²	128.3	62%	0.615	66%	0.659	S	S	*	*			trans	-115.3	121.6	179.9	-58.7	0	0	0	0	108.1
127	Q	41.3	Very low	57.9	Low	178 Å²	178	119.8 Å²	119.8	83%	0.832	62%	0.619	S	S	*	*			trans	85.4	65.9	174.9	-58.6	172.6	-13.9	0	0	116.2	C129	Q127-C129 PolarHBondContact O-N 2.91Å; Q127-C129 VanDerWaalsContact O-N 3.13Å
128	L	45.3	Very low	60.7	Low	178 Å²	178	119.5 Å²	119.5	93%	0.932	61%	0.609	S	S	*	*			trans	-67.9	93.8	141.6	-77.8	157.3	0	0	0	105.9	A130	L128-A130 PolarHBondContact O-N 2.96Å
129	C	51.4	Low	63.6	Low	101 Å²	101	115.4 Å²	115.4	68%	0.682	59%	0.593	S	S	*	*			trans	-57.6	111.8	167.4	-79.7	0	0	0	0	107.1	Q127 L131	Q127-C129 PolarHBondContact O-N 2.91Å; Q127-C129 VanDerWaalsContact O-N 3.13Å; C129-L131 PolarHBondContact O-N 2.61Å
130	A	72.8	Confident	66.8	Low	87 Å²	87	107 Å²	107	72%	0.719	55%	0.554	S	S	*	*			trans	-62.8	107.4	167.7	0	0	0	0	0	106.1	L128 T132	L128-A130 PolarHBondContact O-N 2.96Å; A130-T132 PolarHBondContact O-N 3.06Å
131	L	83.3	Confident	69.6	Low	67 Å²	67	100.8 Å²	100.8	35%	0.351	52%	0.523	S	S	.	.			trans	-54.5	137.9	177.2	-65.4	172.1	0	0	0	108.8	C129 E135 R136 Q139	C129-L131 PolarHBondContact O-N 2.61Å; L131-E135 WeakPolarHBondContact CA-OE2 3.41Å; L131-E135 HydrophobicContact CB-CB 4.27Å; L131-E135 HydrophobicContact CD2-CB 4.25Å; L131-R136 HydrophobicContact CB-CG 3.76Å; L131-R136 HydrophobicContact CD1-CG 4.36Å; L131-R136 PolarHBondContact O-NE 3.5Å; L131-R136 VanDerWaalsContact O-NE 3.07Å; L131-R136 PolarHBondContact O-NH2 3.44Å; L131-Q139 VanDerWaalsContact CD1-OE1 3.32Å
132	T	92	Very high	72.6	Confident	73 Å²	73	100 Å²	100	45%	0.448	51%	0.511	S	S	.	.			trans	-65.3	158.6	170.6	61	0	0	0	0	110.1	A130 Q134 E135 R136	A130-T132 PolarHBondContact O-N 3.06Å; T132-Q134 PolarHBondContact O-N 3.41Å; T132-E135 PolarHBondContact N-OE2 2.9Å; T132-E135 PolarHBondContact O-N 2.87Å; T132-E135 VanDerWaalsContact O-N 3.16Å; T132-E135 VanDerWaalsContact OG1-CD 3.24Å; T132-E135 VanDerWaalsContact OG1-CG 3.25Å; T132-E135 WeakPolarHBondContact OG1-CG 3.28Å; T132-E135 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact OG1-OE2 3.34Å; T132-R136 WeakPolarHBondContact O-CG 3.33Å; T132-R136 PolarHBondContact O-N 3.39Å
133	L	92.8	Very high	75.3	Confident	22 Å²	22	94 Å²	94	12%	0.115	49%	0.494	C	S	.	.	H	α-helix	trans	-57	-40.5	176.5	178.2	57.6	0	0	0	111.2	E135 R136 L137 D408 F411 Q412 P460 L464	L133-E135 PolarHBondContact O-N 3.13Å; L133-R136 PolarHBondContact O-N 3.39Å; L133-L137 HydrophobicContact CD1-CD1 4.31Å; L133-L137 HydrophobicContact CD1-CG 4.15Å; L133-L137 HydrophobicContact CG-CD1 4.06Å; L133-L137 HydrophobicContact CG-CG 4.37Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 3.13Å; L133-D408 HydrophobicContact CB-CB 4.17Å; L133-D408 HydrophobicContact CD2-CB 4.09Å; L133-D408 HydrophobicContact CG-CB 3.98Å; L133-F411 HydrophobicContact CD2-CD1 4.49Å; L133-Q412 HydrophobicContact CD2-CG 3.84Å; L133-P460 HydrophobicContact CD1-CB 3.9Å; L133-P460 HydrophobicContact CD1-CG 3.76Å; L133-P460 HydrophobicContact CD2-CB 4.43Å; L133-P460 HydrophobicContact CD2-CG 4.15Å; L133-L464 HydrophobicContact CD1-CD1 4.24Å
134	Q	94.4	Very high	77.8	Confident	25 Å²	25	94.9 Å²	94.9	12%	0.117	48%	0.484	C	S	.	.	H	α-helix	trans	-54.3	-50.4	174.6	-177.9	66.5	3.1	0	0	112.6	T132 R136 L137 Q138 K404 D408	T132-Q134 PolarHBondContact O-N 3.41Å; Q134-R136 VanDerWaalsContact C-N 3.33Å; Q134-R136 PolarHBondContact O-N 3.28Å; Q134-L137 PolarHBondContact O-N 3.15Å; Q134-Q138 WeakPolarHBondContact O-CG 3.45Å; Q134-Q138 PolarHBondContact O-N 2.88Å; Q134-Q138 VanDerWaalsContact O-N 3.12Å; Q134-K404 PolarHBondContact NE2-O 3.27Å; Q134-D408 HydrophobicContact CB-CB 4.11Å
135	E	93.8	Very high	80.4	Confident	90 Å²	90	84.6 Å²	84.6	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-64.9	-37.8	178.5	-70.9	162.3	155.9	0	0	111.7	L131 T132 L133 Q138 Q139	L131-E135 WeakPolarHBondContact CA-OE2 3.41Å; L131-E135 HydrophobicContact CB-CB 4.27Å; L131-E135 HydrophobicContact CD2-CB 4.25Å; T132-E135 PolarHBondContact N-OE2 2.9Å; T132-E135 PolarHBondContact O-N 2.87Å; T132-E135 VanDerWaalsContact O-N 3.16Å; T132-E135 VanDerWaalsContact OG1-CD 3.24Å; T132-E135 VanDerWaalsContact OG1-CG 3.25Å; T132-E135 WeakPolarHBondContact OG1-CG 3.28Å; T132-E135 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact OG1-OE2 3.34Å; L133-E135 PolarHBondContact O-N 3.13Å; E135-Q138 PolarHBondContact O-N 3.5Å; E135-Q139 WeakPolarHBondContact O-CB 3.43Å; E135-Q139 PolarHBondContact O-N 3.13Å
136	R	93.8	Very high	83	Confident	71 Å²	71	75.8 Å²	75.8	27%	0.268	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-41.1	176.8	-67.6	179.6	-165.5	165.4	-1.5	112.4	L131 T132 L133 Q134 Q138 Q139 Y140 D461 L464	L131-R136 HydrophobicContact CB-CG 3.76Å; L131-R136 HydrophobicContact CD1-CG 4.36Å; L131-R136 PolarHBondContact O-NE 3.5Å; L131-R136 VanDerWaalsContact O-NE 3.07Å; L131-R136 PolarHBondContact O-NH2 3.44Å; T132-R136 WeakPolarHBondContact O-CG 3.33Å; T132-R136 PolarHBondContact O-N 3.39Å; L133-R136 PolarHBondContact O-N 3.39Å; Q134-R136 VanDerWaalsContact C-N 3.33Å; Q134-R136 PolarHBondContact O-N 3.28Å; R136-Q138 VanDerWaalsContact C-N 3.31Å; R136-Q138 PolarHBondContact O-N 3.31Å; R136-Q139 PolarHBondContact O-N 3.45Å; R136-Y140 VanDerWaalsContact O-CB 3.27Å; R136-Y140 WeakPolarHBondContact O-CB 3.39Å; R136-Y140 PolarHBondContact O-N 3.39Å; R136-D461 WeakPolarHBondContact CD-OD1 3.37Å; R136-D461 IonicContact CZ-OD1 3.25Å; R136-D461 IonicContact CZ-OD2 2.8Å; R136-D461 IonicContact NE-OD1 2.76Å; R136-D461 IonicContact NE-OD2 3.33Å; R136-D461 IonicContact NH1-OD1 3.06Å; R136-D461 PolarHBondContact NH1-OD1 3.43Å; R136-D461 IonicContact NH1-OD2 2.78Å; R136-D461 PolarHBondContact NH1-OD2 2.86Å; R136-L464 HydrophobicContact CB-CD1 4.14Å
137	L	95.9	Very high	85.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-62.7	-40.2	175.5	-72.7	170.1	0	0	0	111.3	L133 Q134 Y140 Y141 I369 L407 D408 F411 L464	L133-L137 HydrophobicContact CD1-CD1 4.31Å; L133-L137 HydrophobicContact CD1-CG 4.15Å; L133-L137 HydrophobicContact CG-CD1 4.06Å; L133-L137 HydrophobicContact CG-CG 4.37Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 3.13Å; Q134-L137 PolarHBondContact O-N 3.15Å; L137-Y140 PolarHBondContact O-N 3.25Å; L137-Y141 VanDerWaalsContact O-CB 3.32Å; L137-Y141 WeakPolarHBondContact O-CB 3.4Å; L137-Y141 PolarHBondContact O-N 3.01Å; L137-I369 HydrophobicContact CD2-CG2 4.09Å; L137-L407 HydrophobicContact CB-CD2 4.14Å; L137-L407 HydrophobicContact CD1-CG 4.34Å; L137-D408 HydrophobicContact CD1-CB 4.18Å; L137-F411 HydrophobicContact CD1-CB 3.8Å; L137-F411 HydrophobicContact CD1-CD1 4.24Å; L137-F411 HydrophobicContact CD1-CG 3.98Å; L137-F411 HydrophobicContact CD2-CD1 4.06Å; L137-F411 HydrophobicContact CD2-CD2 3.87Å; L137-F411 HydrophobicContact CD2-CE1 4.14Å; L137-F411 HydrophobicContact CD2-CE2 3.98Å; L137-F411 HydrophobicContact CD2-CG 3.91Å; L137-F411 HydrophobicContact CD2-CZ 4.11Å; L137-L464 HydrophobicContact CD2-CD1 3.93Å; L137-L464 HydrophobicContact CD2-CD2 3.83Å; L137-L464 HydrophobicContact CG-CD1 4.39Å
138	Q	94.5	Very high	88.1	Confident	102 Å²	102	65.3 Å²	65.3	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-41.6	174.8	-68.8	175.6	10.5	0	0	112.1	Q134 E135 R136 Y141 S142	Q134-Q138 WeakPolarHBondContact O-CG 3.45Å; Q134-Q138 PolarHBondContact O-N 2.88Å; Q134-Q138 VanDerWaalsContact O-N 3.12Å; E135-Q138 PolarHBondContact O-N 3.5Å; R136-Q138 VanDerWaalsContact C-N 3.31Å; R136-Q138 PolarHBondContact O-N 3.31Å; Q138-Y141 PolarHBondContact O-N 2.93Å; Q138-S142 WeakPolarHBondContact O-CB 3.4Å; Q138-S142 PolarHBondContact O-N 3.39Å; Q138-S142 PolarHBondContact O-OG 2.71Å
139	Q	94.4	Very high	90.3	Very high	108 Å²	108	61.3 Å²	61.3	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-43.4	174.7	-174.6	179.3	-5.6	0	0	111.3	L131 E135 R136 S142 S143	L131-Q139 VanDerWaalsContact CD1-OE1 3.32Å; E135-Q139 WeakPolarHBondContact O-CB 3.43Å; E135-Q139 PolarHBondContact O-N 3.13Å; R136-Q139 PolarHBondContact O-N 3.45Å; Q139-S142 WeakPolarHBondContact CA-OG 3.33Å; Q139-S142 PolarHBondContact O-N 2.82Å; Q139-S142 PolarHBondContact O-OG 3.37Å; Q139-S142 VanDerWaalsContact O-OG 3.1Å; Q139-S143 VanDerWaalsContact O-CB 3.26Å; Q139-S143 WeakPolarHBondContact O-CB 3.5Å; Q139-S143 PolarHBondContact O-N 2.54Å; Q139-S143 PolarHBondContact O-OG 3.27Å
140	Y	95.6	Very high	92.2	Very high	7 Å²	7	63 Å²	63	3%	0.027	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-46.5	175.9	-179.1	-101.6	0	0	0	110.8	R136 L137 S142 S143 R144 V145 I369 A372 V373 L376 L464	R136-Y140 VanDerWaalsContact O-CB 3.27Å; R136-Y140 WeakPolarHBondContact O-CB 3.39Å; R136-Y140 PolarHBondContact O-N 3.39Å; L137-Y140 PolarHBondContact O-N 3.25Å; Y140-S142 PolarHBondContact O-N 2.95Å; Y140-S143 PolarHBondContact O-N 3.34Å; Y140-R144 HydrophobicContact CD2-CB 4.35Å; Y140-R144 HydrophobicContact CE2-CB 4.22Å; Y140-R144 PolarHBondContact O-N 3.2Å; Y140-V145 HydrophobicContact CD1-CG2 3.54Å; Y140-V145 HydrophobicContact CE1-CG2 3.43Å; Y140-V145 VanDerWaalsContact CE1-CG2 3.43Å; Y140-V145 HydrophobicContact CG-CG2 4.47Å; Y140-V145 PolarHBondContact O-N 2.73Å; Y140-I369 HydrophobicContact CD1-CG2 4.29Å; Y140-I369 HydrophobicContact CE1-CG2 4.36Å; Y140-A372 HydrophobicContact CE1-CB 4.04Å; Y140-V373 HydrophobicContact CE1-CG2 4.12Å; Y140-V373 PolarHBondContact OH-N 3.14Å; Y140-L376 HydrophobicContact CE2-CD1 4.43Å; Y140-L464 HydrophobicContact CD1-CD2 3.92Å; Y140-L464 HydrophobicContact CD2-CB 3.92Å; Y140-L464 HydrophobicContact CD2-CD2 4.22Å; Y140-L464 WeakPolarHBondContact CD2-O 3.22Å; Y140-L464 HydrophobicContact CE1-CD2 4.24Å; Y140-L464 HydrophobicContact CE2-CB 4.37Å; Y140-L464 HydrophobicContact CG-CB 4.28Å; Y140-L464 HydrophobicContact CG-CD2 3.91Å
141	Y	95.8	Very high	93.1	Very high	57 Å²	57	62 Å²	62	22%	0.224	32%	0.323	C	S	.	.	I	π-helix	trans	-57.1	-52.5	177.4	-177.2	-109.3	0	0	0	111.9	L137 Q138 S143 V145 V146 L365 K368 I369	L137-Y141 VanDerWaalsContact O-CB 3.32Å; L137-Y141 WeakPolarHBondContact O-CB 3.4Å; L137-Y141 PolarHBondContact O-N 3.01Å; Q138-Y141 PolarHBondContact O-N 2.93Å; Y141-S143 PolarHBondContact O-N 3.31Å; Y141-V145 HydrophobicContact CD2-CB 3.63Å; Y141-V145 HydrophobicContact CD2-CG1 3.62Å; Y141-V145 HydrophobicContact CD2-CG2 4.25Å; Y141-V145 HydrophobicContact CE2-CB 4.18Å; Y141-V145 HydrophobicContact CE2-CG1 3.79Å; Y141-V145 HydrophobicContact CG-CB 4.39Å; Y141-V145 WeakPolarHBondContact O-CB 3.26Å; Y141-V145 PolarHBondContact O-N 2.88Å; Y141-V145 VanDerWaalsContact O-N 3.12Å; Y141-V146 HydrophobicContact CD1-CG2 3.45Å; Y141-V146 VanDerWaalsContact CD1-CG2 3.45Å; Y141-V146 HydrophobicContact CD2-CG2 4.04Å; Y141-V146 HydrophobicContact CE1-CG2 3.06Å; Y141-V146 HydrophobicContact CE2-CG2 3.69Å; Y141-V146 HydrophobicContact CG-CG2 3.93Å; Y141-V146 WeakPolarHBondContact O-CG2 3.37Å; Y141-V146 PolarHBondContact O-N 3.06Å; Y141-L365 HydrophobicContact CD1-CD1 3.69Å; Y141-L365 HydrophobicContact CD2-CD1 3.33Å; Y141-L365 HydrophobicContact CE1-CD1 3.56Å; Y141-L365 HydrophobicContact CE2-CD1 3.23Å; Y141-L365 HydrophobicContact CG-CD1 3.57Å; Y141-K368 HydrophobicContact CE2-CB 4.09Å; Y141-K368 HydrophobicContact CE2-CD 4.24Å; Y141-K368 PolarHBondContact OH-NZ 3.48Å; Y141-I369 HydrophobicContact CD2-CG1 4.05Å
142	S	94.8	Very high	93.6	Very high	83 Å²	83	60 Å²	60	58%	0.58	31%	0.314	S	S	*	.	I	π-helix	trans	-69.1	-30.3	-177.9	52.4	0	0	0	0	114.4	Q138 Q139 Y140	Q138-S142 WeakPolarHBondContact O-CB 3.4Å; Q138-S142 PolarHBondContact O-N 3.39Å; Q138-S142 PolarHBondContact O-OG 2.71Å; Q139-S142 WeakPolarHBondContact CA-OG 3.33Å; Q139-S142 PolarHBondContact O-N 2.82Å; Q139-S142 PolarHBondContact O-OG 3.37Å; Q139-S142 VanDerWaalsContact O-OG 3.1Å; Y140-S142 PolarHBondContact O-N 2.95Å
143	S	93.3	Very high	93.7	Very high	79 Å²	79	62.8 Å²	62.8	55%	0.552	32%	0.321	S	S	*	.	I	π-helix	trans	-93.4	-28.2	-176.3	61.2	0	0	0	0	114.7	Q139 Y140 Y141	Q139-S143 VanDerWaalsContact O-CB 3.26Å; Q139-S143 WeakPolarHBondContact O-CB 3.5Å; Q139-S143 PolarHBondContact O-N 2.54Å; Q139-S143 PolarHBondContact O-OG 3.27Å; Y140-S143 PolarHBondContact O-N 3.34Å; Y141-S143 PolarHBondContact O-N 3.31Å
144	R	92.3	Very high	93.6	Very high	111 Å²	111	67.7 Å²	67.7	42%	0.419	34%	0.342	S	S	.	.	I	π-helix	trans	-130.9	-21.3	-170.2	-66.1	-174.8	175.7	-134.1	5	115.5	Y140 V195 L376 I465	Y140-R144 HydrophobicContact CD2-CB 4.35Å; Y140-R144 HydrophobicContact CE2-CB 4.22Å; Y140-R144 PolarHBondContact O-N 3.2Å; R144-V195 WeakPolarHBondContact O-CA 3.26Å; R144-L376 HydrophobicContact CB-CD1 4.34Å; R144-I465 VanDerWaalsContact CZ-C 3.47Å; R144-I465 PolarHBondContact NH1-O 3.28Å; R144-I465 PolarHBondContact NH1-OXT 3.1Å; R144-I465 PolarHBondContact NH2-OXT 3.2Å
145	V	94	Very high	93.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.34	C	S	.	.	I	π-helix	trans	-100.1	-48.4	-172.8	-174.6	0	0	0	0	111.6	Y140 Y141 L147 V194 V195 K368 A372	Y140-V145 HydrophobicContact CD1-CG2 3.54Å; Y140-V145 HydrophobicContact CE1-CG2 3.43Å; Y140-V145 VanDerWaalsContact CE1-CG2 3.43Å; Y140-V145 HydrophobicContact CG-CG2 4.47Å; Y140-V145 PolarHBondContact O-N 2.73Å; Y141-V145 HydrophobicContact CD2-CB 3.63Å; Y141-V145 HydrophobicContact CD2-CG1 3.62Å; Y141-V145 HydrophobicContact CD2-CG2 4.25Å; Y141-V145 HydrophobicContact CE2-CB 4.18Å; Y141-V145 HydrophobicContact CE2-CG1 3.79Å; Y141-V145 HydrophobicContact CG-CB 4.39Å; Y141-V145 WeakPolarHBondContact O-CB 3.26Å; Y141-V145 PolarHBondContact O-N 2.88Å; Y141-V145 VanDerWaalsContact O-N 3.12Å; V145-L147 PolarHBondContact O-N 2.87Å; V145-V194 HydrophobicContact CG1-CB 4.02Å; V145-V194 HydrophobicContact CG1-CG1 3.65Å; V145-V195 PolarHBondContact O-N 3.39Å; V145-K368 HydrophobicContact CG1-CB 3.75Å; V145-K368 WeakPolarHBondContact CG1-O 3.39Å; V145-A372 HydrophobicContact CB-CB 4.2Å; V145-A372 HydrophobicContact CG1-CB 4.02Å; V145-A372 HydrophobicContact CG2-CB 3.54Å
146	V	93.8	Very high	93.6	Very high	65 Å²	65	64.9 Å²	64.9	39%	0.394	33%	0.33	S	S	.	.	S	Bend	trans	-66.1	128.1	-177.2	174	0	0	0	0	110.1	Y141	Y141-V146 HydrophobicContact CD1-CG2 3.45Å; Y141-V146 VanDerWaalsContact CD1-CG2 3.45Å; Y141-V146 HydrophobicContact CD2-CG2 4.04Å; Y141-V146 HydrophobicContact CE1-CG2 3.06Å; Y141-V146 HydrophobicContact CE2-CG2 3.69Å; Y141-V146 HydrophobicContact CG-CG2 3.93Å; Y141-V146 WeakPolarHBondContact O-CG2 3.37Å; Y141-V146 PolarHBondContact O-N 3.06Å
147	L	93	Very high	93.7	Very high	14 Å²	14	64 Å²	64	7%	0.073	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-81.3	143.8	170.6	-57.1	-179.3	0	0	0	109.8	V145 V152 Q193 V195 S196 A197	V145-L147 PolarHBondContact O-N 2.87Å; L147-V152 HydrophobicContact CB-CG2 3.55Å; L147-V152 HydrophobicContact CD1-CG2 3.89Å; L147-V152 HydrophobicContact CG-CG2 4.38Å; L147-Q193 HydrophobicContact CD1-CB 3.95Å; L147-Q193 HydrophobicContact CD1-CG 4.1Å; L147-V195 VanDerWaalsContact CD2-C 3.49Å; L147-S196 VanDerWaalsContact CD2-CA 3.47Å; L147-S196 VanDerWaalsContact CD2-N 3.31Å; L147-A197 HydrophobicContact CD1-CB 4.25Å
148	A	92.4	Very high	93.6	Very high	32 Å²	32	65.6 Å²	65.6	26%	0.264	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-69.9	135.7	174.8	0	0	0	0	0	109.7	H150 E151 V152	A148-H150 VanDerWaalsContact C-N 3.25Å; A148-H150 WeakPolarHBondContact CB-CE1 3.42Å; A148-H150 PolarHBondContact O-N 3.19Å; A148-H150 VanDerWaalsContact O-N 3.17Å; A148-E151 HydrophobicContact CB-CB 4.32Å; A148-E151 WeakPolarHBondContact O-CB 3.1Å; A148-E151 PolarHBondContact O-N 2.88Å; A148-V152 PolarHBondContact O-N 3.4Å
149	P	92.8	Very high	93.6	Very high	93 Å²	93	60.8 Å²	60.8	60%	0.604	32%	0.321	S	S	*	.	H	α-helix	trans	-55.1	-39.6	-176	-28.7	34.9	0	0	0	113.7	E151 V152 E153	P149-E151 VanDerWaalsContact C-N 3.31Å; P149-E151 PolarHBondContact O-N 3.4Å; P149-V152 PolarHBondContact O-N 3.42Å; P149-E153 WeakPolarHBondContact O-CB 3.42Å; P149-E153 WeakPolarHBondContact O-CG 3.4Å; P149-E153 PolarHBondContact O-N 2.92Å
150	H	91.3	Very high	93.7	Very high	137 Å²	137	59.7 Å²	59.7	63%	0.634	32%	0.318	S	S	*	.	H	α-helix	trans	-65.3	-31.9	177.9	68.5	-90.3	0	0	0	113.2	A148 K154	A148-H150 VanDerWaalsContact C-N 3.25Å; A148-H150 WeakPolarHBondContact CB-CE1 3.42Å; A148-H150 PolarHBondContact O-N 3.19Å; A148-H150 VanDerWaalsContact O-N 3.17Å; H150-K154 WeakPolarHBondContact O-CB 3.48Å; H150-K154 PolarHBondContact O-N 3.12Å
151	E	91	Very high	93.7	Very high	66 Å²	66	62.9 Å²	62.9	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-69.6	-43.8	176.4	-171.9	-166.8	160.7	0	0	110	A148 P149 K154 A155 A197	A148-E151 HydrophobicContact CB-CB 4.32Å; A148-E151 WeakPolarHBondContact O-CB 3.1Å; A148-E151 PolarHBondContact O-N 2.88Å; P149-E151 VanDerWaalsContact C-N 3.31Å; P149-E151 PolarHBondContact O-N 3.4Å; E151-K154 PolarHBondContact O-N 3.42Å; E151-A155 WeakPolarHBondContact O-CB 3.48Å; E151-A155 PolarHBondContact O-N 3.03Å; E151-A197 HydrophobicContact CG-CB 3.96Å; E151-A197 PolarHBondContact OE1-N 3.12Å
152	V	93.4	Very high	93.7	Very high	26 Å²	26	60.2 Å²	60.2	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-48.4	177.1	177.4	0	0	0	0	110.9	L147 A148 P149 K154 A155 Q156 L188	L147-V152 HydrophobicContact CB-CG2 3.55Å; L147-V152 HydrophobicContact CD1-CG2 3.89Å; L147-V152 HydrophobicContact CG-CG2 4.38Å; A148-V152 PolarHBondContact O-N 3.4Å; P149-V152 PolarHBondContact O-N 3.42Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 3.04Å; V152-A155 PolarHBondContact O-N 2.97Å; V152-Q156 HydrophobicContact CG1-CG 4.26Å; V152-Q156 WeakPolarHBondContact O-CB 3.46Å; V152-Q156 VanDerWaalsContact O-CG 3.28Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 3.49Å; V152-L188 HydrophobicContact CG1-CD1 3.99Å
153	E	93.8	Very high	93.7	Very high	130 Å²	130	56.4 Å²	56.4	61%	0.607	30%	0.299	S	S	*	.	H	α-helix	trans	-60.7	-41.7	177.8	-73.9	172.7	-171.2	0	0	111.7	P149 Q156 S157	P149-E153 WeakPolarHBondContact O-CB 3.42Å; P149-E153 WeakPolarHBondContact O-CG 3.4Å; P149-E153 PolarHBondContact O-N 2.92Å; E153-Q156 PolarHBondContact O-N 3.09Å; E153-S157 WeakPolarHBondContact O-CB 3.31Å; E153-S157 PolarHBondContact O-N 3.24Å; E153-S157 PolarHBondContact O-OG 3.37Å
154	K	91.9	Very high	93.9	Very high	126 Å²	126	56.6 Å²	56.6	55%	0.548	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-45.2	175.1	-176	-179	178.1	-177.1	0	112	H150 E151 V152 S157 L158	H150-K154 WeakPolarHBondContact O-CB 3.48Å; H150-K154 PolarHBondContact O-N 3.12Å; E151-K154 PolarHBondContact O-N 3.42Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 3.04Å; K154-S157 WeakPolarHBondContact CA-OG 3.39Å; K154-S157 PolarHBondContact O-OG 2.88Å; K154-L158 VanDerWaalsContact O-CB 3.26Å; K154-L158 WeakPolarHBondContact O-CB 3.49Å; K154-L158 PolarHBondContact O-N 3.06Å
155	A	93.3	Very high	94	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-40.4	178.6	0	0	0	0	0	112.1	E151 V152 A159 L188 A197 L311	E151-A155 WeakPolarHBondContact O-CB 3.48Å; E151-A155 PolarHBondContact O-N 3.03Å; V152-A155 PolarHBondContact O-N 2.97Å; A155-A159 VanDerWaalsContact O-CB 3.29Å; A155-A159 WeakPolarHBondContact O-CB 3.24Å; A155-A159 PolarHBondContact O-N 2.99Å; A155-L188 HydrophobicContact CB-CD1 4.48Å; A155-L188 HydrophobicContact CB-CD2 4Å; A155-A197 HydrophobicContact CB-CB 3.81Å; A155-L311 HydrophobicContact CB-CD2 4.4Å
156	Q	95.3	Very high	94.1	Very high	48 Å²	48	54.8 Å²	54.8	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-67.7	-45.8	177.7	-73.4	-179.7	1.3	0	0	112.1	V152 E153 A159 L160 L184 L188	V152-Q156 HydrophobicContact CG1-CG 4.26Å; V152-Q156 WeakPolarHBondContact O-CB 3.46Å; V152-Q156 VanDerWaalsContact O-CG 3.28Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 3.49Å; E153-Q156 PolarHBondContact O-N 3.09Å; Q156-A159 PolarHBondContact O-N 2.93Å; Q156-L160 WeakPolarHBondContact O-CB 3.34Å; Q156-L160 WeakPolarHBondContact O-CG 3.48Å; Q156-L160 PolarHBondContact O-N 3.16Å; Q156-L184 HydrophobicContact CB-CD1 4.25Å; Q156-L184 HydrophobicContact CG-CD1 4.39Å; Q156-L188 HydrophobicContact CG-CD2 3.82Å; Q156-L188 HydrophobicContact CG-CG 3.86Å; Q156-L188 PolarHBondContact NE2-O 3.27Å; Q156-L188 VanDerWaalsContact NE2-O 3.13Å
157	S	94.3	Very high	94.1	Very high	53 Å²	53	53.7 Å²	53.7	37%	0.371	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-48.8	176.4	48.6	0	0	0	0	111.2	E153 K154 A159 L160 D161	E153-S157 WeakPolarHBondContact O-CB 3.31Å; E153-S157 PolarHBondContact O-N 3.24Å; E153-S157 PolarHBondContact O-OG 3.37Å; K154-S157 WeakPolarHBondContact CA-OG 3.39Å; K154-S157 PolarHBondContact O-OG 2.88Å; S157-A159 VanDerWaalsContact C-N 3.32Å; S157-A159 PolarHBondContact O-N 3.39Å; S157-L160 WeakPolarHBondContact O-CB 3.45Å; S157-L160 PolarHBondContact O-N 3.17Å; S157-D161 VanDerWaalsContact O-CG 3.26Å; S157-D161 PolarHBondContact O-N 3.15Å
158	L	93.9	Very high	94.2	Very high	33 Å²	33	55 Å²	55	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-41.1	176.8	-176.3	56.9	0	0	0	112.7	K154 L160 D161 I162 I298 L311	K154-L158 VanDerWaalsContact O-CB 3.26Å; K154-L158 WeakPolarHBondContact O-CB 3.49Å; K154-L158 PolarHBondContact O-N 3.06Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-D161 PolarHBondContact O-N 2.68Å; L158-I162 HydrophobicContact CD1-CD1 4.21Å; L158-I162 HydrophobicContact CG-CD1 4.23Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 3.13Å; L158-I298 HydrophobicContact CD2-CG2 3.74Å; L158-I298 HydrophobicContact CG-CG2 4.41Å; L158-L311 HydrophobicContact CD2-CD2 4.03Å; L158-L311 HydrophobicContact CG-CD2 4.42Å
159	A	95.5	Very high	94.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-36.1	175.9	0	0	0	0	0	112.5	A155 Q156 S157 C163 L184 A200 I313	A155-A159 VanDerWaalsContact O-CB 3.29Å; A155-A159 WeakPolarHBondContact O-CB 3.24Å; A155-A159 PolarHBondContact O-N 2.99Å; Q156-A159 PolarHBondContact O-N 2.93Å; S157-A159 VanDerWaalsContact C-N 3.32Å; S157-A159 PolarHBondContact O-N 3.39Å; A159-C163 VanDerWaalsContact O-CB 3.23Å; A159-C163 WeakPolarHBondContact O-CB 3.36Å; A159-C163 PolarHBondContact O-N 3.46Å; A159-L184 HydrophobicContact CB-CD1 4.29Å; A159-L184 HydrophobicContact CB-CD2 3.67Å; A159-A200 HydrophobicContact CB-CB 3.89Å; A159-I313 HydrophobicContact CB-CD1 3.86Å; A159-I313 HydrophobicContact CB-CG1 4.45Å
160	L	96.3	Very high	94.4	Very high	85 Å²	85	50.9 Å²	50.9	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-43.7	173.9	-75	168.6	0	0	0	111.7	Q156 S157 L158 I162 C163 T164 L184	Q156-L160 WeakPolarHBondContact O-CB 3.34Å; Q156-L160 WeakPolarHBondContact O-CG 3.48Å; Q156-L160 PolarHBondContact O-N 3.16Å; S157-L160 WeakPolarHBondContact O-CB 3.45Å; S157-L160 PolarHBondContact O-N 3.17Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L160-I162 PolarHBondContact O-N 3.19Å; L160-C163 CarbonylContact O-C 3.28Å; L160-C163 WeakPolarHBondContact O-CA 3.21Å; L160-C163 WeakPolarHBondContact O-CB 3.33Å; L160-C163 PolarHBondContact O-N 3.3Å; L160-C163 VanDerWaalsContact O-N 3.09Å; L160-T164 WeakPolarHBondContact O-CG2 3.48Å; L160-T164 PolarHBondContact O-N 3.33Å; L160-L184 HydrophobicContact CD1-CD1 4.42Å; L160-L184 HydrophobicContact CD2-CD1 4.02Å; L160-L184 HydrophobicContact CD2-CD2 4.32Å; L160-L184 HydrophobicContact CD2-CG 3.72Å; L160-L184 HydrophobicContact CG-CD1 3.78Å; L160-L184 HydrophobicContact CG-CG 4.01Å
161	D	95.6	Very high	94.4	Very high	75 Å²	75	48.6 Å²	48.6	40%	0.401	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-47	178.8	-64.2	-26.6	0	0	0	110.3	S157 L158 C163 T164 E165 L281	S157-D161 VanDerWaalsContact O-CG 3.26Å; S157-D161 PolarHBondContact O-N 3.15Å; L158-D161 PolarHBondContact O-N 2.68Å; D161-C163 VanDerWaalsContact C-N 3.29Å; D161-C163 PolarHBondContact O-N 2.86Å; D161-T164 PolarHBondContact O-N 3.44Å; D161-T164 VanDerWaalsContact O-N 3.12Å; D161-T164 PolarHBondContact O-OG1 3.34Å; D161-E165 PolarHBondContact O-N 3.31Å; D161-L281 HydrophobicContact CB-CD2 3.79Å
162	I	95.1	Very high	94.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-39.5	173.6	-69.1	169.3	0	0	0	111.4	L158 L160 T164 E165 I166 L202 L281 V285 L296 I298 I313	L158-I162 HydrophobicContact CD1-CD1 4.21Å; L158-I162 HydrophobicContact CG-CD1 4.23Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 3.13Å; L160-I162 PolarHBondContact O-N 3.19Å; I162-T164 VanDerWaalsContact C-N 3.33Å; I162-T164 PolarHBondContact O-N 3.07Å; I162-E165 PolarHBondContact O-N 2.98Å; I162-I166 HydrophobicContact CG2-CD1 3.62Å; I162-I166 HydrophobicContact CG2-CG1 4.3Å; I162-I166 WeakPolarHBondContact O-CB 3.45Å; I162-I166 VanDerWaalsContact O-CG1 3.26Å; I162-I166 WeakPolarHBondContact O-CG1 3.35Å; I162-I166 PolarHBondContact O-N 3.09Å; I162-L202 HydrophobicContact CG2-CD1 4.39Å; I162-L281 HydrophobicContact CD1-CD1 4.5Å; I162-L281 HydrophobicContact CG1-CD1 3.55Å; I162-V285 HydrophobicContact CD1-CG2 4.04Å; I162-V285 HydrophobicContact CG1-CG2 4.49Å; I162-L296 HydrophobicContact CG2-CD1 3.86Å; I162-I298 HydrophobicContact CD1-CD1 4.19Å; I162-I298 HydrophobicContact CD1-CG1 3.6Å; I162-I313 HydrophobicContact CB-CD1 4.27Å; I162-I313 HydrophobicContact CD1-CD1 3.6Å; I162-I313 HydrophobicContact CG2-CD1 4.31Å
163	C	96.3	Very high	94.4	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-44.5	174.9	-171.4	0	0	0	0	111.4	A159 L160 D161 Q167 M182 L202	A159-C163 VanDerWaalsContact O-CB 3.23Å; A159-C163 WeakPolarHBondContact O-CB 3.36Å; A159-C163 PolarHBondContact O-N 3.46Å; L160-C163 CarbonylContact O-C 3.28Å; L160-C163 WeakPolarHBondContact O-CA 3.21Å; L160-C163 WeakPolarHBondContact O-CB 3.33Å; L160-C163 PolarHBondContact O-N 3.3Å; L160-C163 VanDerWaalsContact O-N 3.09Å; D161-C163 VanDerWaalsContact C-N 3.29Å; D161-C163 PolarHBondContact O-N 2.86Å; C163-Q167 WeakPolarHBondContact O-CB 3.42Å; C163-Q167 PolarHBondContact O-N 2.85Å; C163-M182 WeakPolarHBondContact SG-CB 3.47Å; C163-L202 HydrophobicContact CB-CD1 4.12Å; C163-L202 HydrophobicContact CB-CD2 3.83Å
164	T	95.8	Very high	94.2	Very high	83 Å²	83	52.2 Å²	52.2	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-40.1	178.1	62.7	0	0	0	0	112.7	L160 D161 I162 Q167 G168	L160-T164 WeakPolarHBondContact O-CG2 3.48Å; L160-T164 PolarHBondContact O-N 3.33Å; D161-T164 PolarHBondContact O-N 3.44Å; D161-T164 VanDerWaalsContact O-N 3.12Å; D161-T164 PolarHBondContact O-OG1 3.34Å; I162-T164 VanDerWaalsContact C-N 3.33Å; I162-T164 PolarHBondContact O-N 3.07Å; T164-Q167 PolarHBondContact O-N 2.9Å; T164-G168 PolarHBondContact O-N 3.05Å
165	E	95.6	Very high	94.1	Very high	71 Å²	71	54.4 Å²	54.4	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-45.9	176.9	-73.9	-60.7	144.6	0	0	111.9	D161 I162 G168 F169 I277	D161-E165 PolarHBondContact O-N 3.31Å; I162-E165 PolarHBondContact O-N 2.98Å; E165-G168 PolarHBondContact O-N 2.85Å; E165-F169 WeakPolarHBondContact O-CB 3.39Å; E165-F169 PolarHBondContact O-N 3.05Å; E165-I277 HydrophobicContact CB-CD1 4.5Å; E165-I277 HydrophobicContact CB-CG2 4.29Å; E165-I277 HydrophobicContact CG-CG2 4.27Å
166	I	95.3	Very high	94	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-44.1	177.1	-66.7	168.3	0	0	0	110.6	I162 F169 L170 M182 L202 V268 W274 L296 M315	I162-I166 HydrophobicContact CG2-CD1 3.62Å; I162-I166 HydrophobicContact CG2-CG1 4.3Å; I162-I166 WeakPolarHBondContact O-CB 3.45Å; I162-I166 VanDerWaalsContact O-CG1 3.26Å; I162-I166 WeakPolarHBondContact O-CG1 3.35Å; I162-I166 PolarHBondContact O-N 3.09Å; I166-F169 PolarHBondContact O-N 2.75Å; I166-L170 HydrophobicContact CG2-CD1 3.95Å; I166-L170 HydrophobicContact CG2-CG 4.43Å; I166-L170 WeakPolarHBondContact O-CB 3.49Å; I166-L170 WeakPolarHBondContact O-CG 3.46Å; I166-L170 PolarHBondContact O-N 2.79Å; I166-M182 HydrophobicContact CB-CE 4.22Å; I166-M182 HydrophobicContact CG2-CE 3.82Å; I166-M182 HydrophobicContact CG2-SD 4.26Å; I166-L202 HydrophobicContact CD1-CD1 4.01Å; I166-V268 HydrophobicContact CG1-CG1 4.4Å; I166-V268 HydrophobicContact CG2-CG1 4.04Å; I166-V268 HydrophobicContact CG2-CG2 4.41Å; I166-W274 HydrophobicContact CD1-CH2 3.94Å; I166-W274 HydrophobicContact CD1-CZ3 4.45Å; I166-W274 HydrophobicContact CG1-CH2 3.87Å; I166-W274 HydrophobicContact CG1-CZ3 4.27Å; I166-L296 HydrophobicContact CD1-CD1 3.87Å; I166-M315 HydrophobicContact CD1-CE 4.43Å; I166-M315 HydrophobicContact CD1-SD 3.79Å; I166-M315 HydrophobicContact CG2-CE 3.63Å; I166-M315 HydrophobicContact CG2-SD 4.28Å
167	Q	95.3	Very high	94	Very high	43 Å²	43	56.6 Å²	56.6	20%	0.201	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-46.8	177.3	-173.4	170.9	-21.2	0	0	110.4	C163 T164 F169 L170 H171 M182	C163-Q167 WeakPolarHBondContact O-CB 3.42Å; C163-Q167 PolarHBondContact O-N 2.85Å; T164-Q167 PolarHBondContact O-N 2.9Å; Q167-F169 PolarHBondContact O-N 3.44Å; Q167-L170 PolarHBondContact O-N 3.02Å; Q167-H171 WeakPolarHBondContact CG-CE1 3.21Å; Q167-H171 WeakPolarHBondContact CG-ND1 3.43Å; Q167-H171 PolarHBondContact O-N 3.38Å; Q167-H171 PolarHBondContact O-ND1 3.12Å; Q167-M182 HydrophobicContact CB-SD 3.87Å; Q167-M182 HydrophobicContact CG-SD 4.34Å
168	G	94.3	Very high	94.1	Very high	40 Å²	40	55.5 Å²	55.5	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.3	0	0	0	0	0	112.9	T164 E165 H171 S172	T164-G168 PolarHBondContact O-N 3.05Å; E165-G168 PolarHBondContact O-N 2.85Å; G168-H171 PolarHBondContact O-N 3.09Å; G168-S172 WeakPolarHBondContact O-CB 3.29Å; G168-S172 PolarHBondContact O-N 2.74Å; G168-S172 PolarHBondContact O-OG 2.88Å
169	F	94.6	Very high	94.2	Very high	36 Å²	36	54.9 Å²	54.9	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-50.7	174.6	170.7	-102.3	0	0	0	111.8	E165 I166 Q167 H171 S172 R173 V267 A272	E165-F169 WeakPolarHBondContact O-CB 3.39Å; E165-F169 PolarHBondContact O-N 3.05Å; I166-F169 PolarHBondContact O-N 2.75Å; Q167-F169 PolarHBondContact O-N 3.44Å; F169-H171 PolarHBondContact O-N 3.19Å; F169-S172 PolarHBondContact O-N 3.1Å; F169-S172 PolarHBondContact O-OG 3.06Å; F169-R173 HydrophobicContact CD2-CG 4.02Å; F169-R173 HydrophobicContact CE2-CG 3.68Å; F169-R173 HydrophobicContact CZ-CG 4.12Å; F169-R173 PolarHBondContact O-N 2.8Å; F169-V267 HydrophobicContact CE1-CG1 3.91Å; F169-V267 WeakPolarHBondContact CE1-O 3.42Å; F169-A272 HydrophobicContact CD1-CB 4.45Å; F169-A272 HydrophobicContact CE1-CB 4.22Å; F169-A272 HydrophobicContact CE2-CB 4.38Å; F169-A272 HydrophobicContact CZ-CB 4.18Å
170	L	94.4	Very high	94.1	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-45.1	179.1	-72.5	171	0	0	0	111.7	I166 Q167 S172 R173 H174 L179 M182 F264 V267 V268	I166-L170 HydrophobicContact CG2-CD1 3.95Å; I166-L170 HydrophobicContact CG2-CG 4.43Å; I166-L170 WeakPolarHBondContact O-CB 3.49Å; I166-L170 WeakPolarHBondContact O-CG 3.46Å; I166-L170 PolarHBondContact O-N 2.79Å; Q167-L170 PolarHBondContact O-N 3.02Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 3.25Å; L170-R173 PolarHBondContact O-N 3.11Å; L170-H174 CarbonylContact O-C 3.53Å; L170-H174 VanDerWaalsContact O-CA 3.32Å; L170-H174 WeakPolarHBondContact O-CA 3.42Å; L170-H174 WeakPolarHBondContact O-CB 3.28Å; L170-H174 PolarHBondContact O-N 2.8Å; L170-L179 HydrophobicContact CB-CD1 4.34Å; L170-L179 HydrophobicContact CD1-CD1 3.85Å; L170-M182 HydrophobicContact CD1-SD 4.16Å; L170-F264 HydrophobicContact CD1-CE1 4.09Å; L170-F264 HydrophobicContact CD2-CE1 4.43Å; L170-V267 HydrophobicContact CD2-CG1 3.71Å; L170-V268 HydrophobicContact CD1-CG2 4.35Å; L170-V268 HydrophobicContact CD2-CG2 3.79Å; L170-V268 HydrophobicContact CG-CG2 4.25Å
171	H	92.6	Very high	94	Very high	90 Å²	90	58.9 Å²	58.9	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-35.4	177	-74.8	84.1	0	0	0	112.3	Q167 G168 F169 Q175	Q167-H171 WeakPolarHBondContact CG-CE1 3.21Å; Q167-H171 WeakPolarHBondContact CG-ND1 3.43Å; Q167-H171 PolarHBondContact O-N 3.38Å; Q167-H171 PolarHBondContact O-ND1 3.12Å; G168-H171 PolarHBondContact O-N 3.09Å; F169-H171 PolarHBondContact O-N 3.19Å; H171-Q175 WeakPolarHBondContact O-CG 3.16Å
172	S	92.8	Very high	94.1	Very high	68 Å²	68	56 Å²	56	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-74.2	-38.1	-179.6	75.1	0	0	0	0	113.5	G168 F169 L170	G168-S172 WeakPolarHBondContact O-CB 3.29Å; G168-S172 PolarHBondContact O-N 2.74Å; G168-S172 PolarHBondContact O-OG 2.88Å; F169-S172 PolarHBondContact O-N 3.1Å; F169-S172 PolarHBondContact O-OG 3.06Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 3.25Å
173	R	91.3	Very high	94.1	Very high	182 Å²	182	59.1 Å²	59.1	69%	0.687	30%	0.303	S	S	*	.	H	α-helix	trans	-95.6	-26.5	-174.9	-65	-57	-168.4	-162.9	0.3	113.8	F169 L170	F169-R173 HydrophobicContact CD2-CG 4.02Å; F169-R173 HydrophobicContact CE2-CG 3.68Å; F169-R173 HydrophobicContact CZ-CG 4.12Å; F169-R173 PolarHBondContact O-N 2.8Å; L170-R173 PolarHBondContact O-N 3.11Å
174	H	89.7	Confident	94.1	Very high	48 Å²	48	59.8 Å²	59.8	22%	0.222	31%	0.307	C	S	.	.			trans	-131.6	58	-175	-60.8	-74.2	0	0	0	111	L170 D176 M177 V267	L170-H174 CarbonylContact O-C 3.53Å; L170-H174 VanDerWaalsContact O-CA 3.32Å; L170-H174 WeakPolarHBondContact O-CA 3.42Å; L170-H174 WeakPolarHBondContact O-CB 3.28Å; L170-H174 PolarHBondContact O-N 2.8Å; H174-D176 PolarHBondContact O-N 3.25Å; H174-D176 VanDerWaalsContact O-N 3.09Å; H174-M177 HydrophobicContact CB-CB 3.98Å; H174-M177 HydrophobicContact CB-CE 3.99Å; H174-M177 VanDerWaalsContact O-CB 3.29Å; H174-M177 WeakPolarHBondContact O-CB 3.35Å; H174-M177 PolarHBondContact O-N 3.47Å; H174-V267 WeakPolarHBondContact NE2-CG1 3.43Å
175	Q	88.6	Confident	93.9	Very high	171 Å²	171	56.3 Å²	56.3	80%	0.799	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	-178.7	-69.1	177.2	7.4	0	0	114	H171	H171-Q175 WeakPolarHBondContact O-CG 3.16Å
176	D	92.3	Very high	93.8	Very high	87 Å²	87	53.9 Å²	53.9	47%	0.465	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.2	179	65.4	-33.4	0	0	0	113.6	H174 P178 Y245 R248	H174-D176 PolarHBondContact O-N 3.25Å; H174-D176 VanDerWaalsContact O-N 3.09Å; D176-P178 WeakPolarHBondContact O-CD 3.37Å; D176-Y245 HydrophobicContact CB-CD2 4.32Å; D176-Y245 HydrophobicContact CB-CE2 4.44Å; D176-Y245 VanDerWaalsContact O-CD2 3.22Å; D176-Y245 WeakPolarHBondContact O-CD2 3.45Å; D176-Y245 WeakPolarHBondContact OD2-CE2 3.41Å; D176-R248 IonicContact OD2-CZ 2.76Å; D176-R248 IonicContact OD2-NH1 3.03Å; D176-R248 PolarHBondContact OD2-NH1 3.07Å; D176-R248 IonicContact OD2-NH2 3.93Å; D176-R248 PolarHBondContact OD2-NH2 3.09Å
177	M	95.4	Very high	93.7	Very high	15 Å²	15	55 Å²	55	7%	0.074	29%	0.289	C	S	.	.	S	Bend	trans	-77.1	118.9	-179.4	-171	-174.1	-68.9	0	0	110.6	H174 L179 Y245 W246 M263 F264	H174-M177 HydrophobicContact CB-CB 3.98Å; H174-M177 HydrophobicContact CB-CE 3.99Å; H174-M177 VanDerWaalsContact O-CB 3.29Å; H174-M177 WeakPolarHBondContact O-CB 3.35Å; H174-M177 PolarHBondContact O-N 3.47Å; M177-L179 HydrophobicContact CG-CD1 4.3Å; M177-L179 HydrophobicContact CG-CD2 4.01Å; M177-L179 HydrophobicContact CG-CG 3.81Å; M177-L179 PolarHBondContact O-N 3.43Å; M177-L179 HydrophobicContact SD-CD1 3.57Å; M177-L179 VanDerWaalsContact SD-CD1 3.57Å; M177-L179 HydrophobicContact SD-CD2 3.78Å; M177-L179 HydrophobicContact SD-CG 3.69Å; M177-Y245 HydrophobicContact CB-CE1 4.08Å; M177-Y245 HydrophobicContact CB-CE2 3.98Å; M177-Y245 HydrophobicContact CE-CE1 4.28Å; M177-Y245 WeakPolarHBondContact CE-OH 3.43Å; M177-Y245 HydrophobicContact CG-CD1 4.29Å; M177-Y245 HydrophobicContact CG-CE1 3.64Å; M177-Y245 HydrophobicContact CG-CE2 4.46Å; M177-W246 HydrophobicContact CG-CH2 4.07Å; M177-M263 HydrophobicContact CE-CE 3.72Å; M177-M263 HydrophobicContact CE-SD 3.66Å; M177-M263 HydrophobicContact SD-CE 4.33Å; M177-F264 HydrophobicContact SD-CE1 4.24Å; M177-F264 HydrophobicContact SD-CZ 4.22Å
178	P	95.6	Very high	93.6	Very high	30 Å²	30	53.3 Å²	53.3	20%	0.195	28%	0.281	C	S	.	.			trans	-82.3	86.3	-177.3	34.2	-35.2	0	0	0	110.7	D176 Q207 Y245 W246	D176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-Q207 HydrophobicContact CB-CB 4.22Å; P178-Q207 WeakPolarHBondContact O-CB 3.29Å; P178-Q207 PolarHBondContact O-N 2.65Å; P178-Y245 VanDerWaalsContact CD-CG 3.48Å; P178-Y245 HydrophobicContact CG-CG 4.4Å; P178-W246 HydrophobicContact CG-CZ2 3.76Å; P178-W246 VanDerWaalsContact CG-NE1 3.34Å; P178-W246 WeakPolarHBondContact O-CZ2 3.22Å
179	L	95.4	Very high	93.6	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-104.1	144.4	174.8	-60.8	-177.8	0	0	0	111.3	L170 M177 V204 P205 L206 W246 F264	L170-L179 HydrophobicContact CB-CD1 4.34Å; L170-L179 HydrophobicContact CD1-CD1 3.85Å; M177-L179 HydrophobicContact CG-CD1 4.3Å; M177-L179 HydrophobicContact CG-CD2 4.01Å; M177-L179 HydrophobicContact CG-CG 3.81Å; M177-L179 PolarHBondContact O-N 3.43Å; M177-L179 HydrophobicContact SD-CD1 3.57Å; M177-L179 VanDerWaalsContact SD-CD1 3.57Å; M177-L179 HydrophobicContact SD-CD2 3.78Å; M177-L179 HydrophobicContact SD-CG 3.69Å; L179-V204 HydrophobicContact CD1-CG1 4.37Å; L179-V204 HydrophobicContact CD2-CG1 4.14Å; L179-P205 WeakPolarHBondContact CA-O 3.35Å; L179-L206 HydrophobicContact CD2-CD2 3.56Å; L179-W246 HydrophobicContact CD2-CH2 4.11Å; L179-W246 HydrophobicContact CD2-CZ2 4.43Å; L179-F264 HydrophobicContact CD2-CZ 4.18Å
180	G	94.3	Very high	93.6	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	29%	0.29	C	S	.	.			trans	-79.5	175.7	161.4	0	0	0	0	0	111.6	M182 P205	G180-M182 PolarHBondContact O-N 2.97Å; G180-P205 PolarHBondContact N-O 3.04Å
181	E	94.9	Very high	93.6	Very high	159 Å²	159	60.3 Å²	60.3	74%	0.743	31%	0.311	S	S	*	.			trans	-62	126	174.2	-65.7	-178	169.3	0	0	110.5	P205	E181-P205 WeakPolarHBondContact O-CD 3.49Å; E181-P205 WeakPolarHBondContact O-CG 3.47Å
182	M	96.4	Very high	93.8	Very high	14 Å²	14	56.3 Å²	56.3	7%	0.069	29%	0.292	C	S	.	.			trans	-71.5	142.7	176.4	-65.7	176.3	47.5	0	0	109.3	C163 I166 Q167 L170 G180 L202 L203 V204 M315	C163-M182 WeakPolarHBondContact SG-CB 3.47Å; I166-M182 HydrophobicContact CB-CE 4.22Å; I166-M182 HydrophobicContact CG2-CE 3.82Å; I166-M182 HydrophobicContact CG2-SD 4.26Å; Q167-M182 HydrophobicContact CB-SD 3.87Å; Q167-M182 HydrophobicContact CG-SD 4.34Å; L170-M182 HydrophobicContact CD1-SD 4.16Å; G180-M182 PolarHBondContact O-N 2.97Å; M182-L202 HydrophobicContact CE-CD1 4.47Å; M182-L203 WeakPolarHBondContact CA-O 3.43Å; M182-V204 HydrophobicContact CE-CG2 3.95Å; M182-V204 HydrophobicContact CG-CG1 4.39Å; M182-V204 HydrophobicContact CG-CG2 4.48Å; M182-V204 HydrophobicContact SD-CG1 4.46Å; M182-V204 HydrophobicContact SD-CG2 4.37Å; M182-M315 HydrophobicContact CE-CE 4.32Å
183	N	95.3	Very high	93.9	Very high	65 Å²	65	53.4 Å²	53.4	35%	0.348	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.5	-179.7	54.8	39.2	0	0	0	112.8	L203	N183-L203 PolarHBondContact N-O 3.48Å; N183-L203 PolarHBondContact O-N 3.42Å; N183-L203 WeakPolarHBondContact OD1-CB 3.5Å
184	L	95.7	Very high	94.1	Very high	19 Å²	19	45 Å²	45	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	147.4	172.9	-60.5	-169.7	0	0	0	110.6	Q156 A159 L160 L189 C201 L202	Q156-L184 HydrophobicContact CB-CD1 4.25Å; Q156-L184 HydrophobicContact CG-CD1 4.39Å; A159-L184 HydrophobicContact CB-CD1 4.29Å; A159-L184 HydrophobicContact CB-CD2 3.67Å; L160-L184 HydrophobicContact CD1-CD1 4.42Å; L160-L184 HydrophobicContact CD2-CD1 4.02Å; L160-L184 HydrophobicContact CD2-CD2 4.32Å; L160-L184 HydrophobicContact CD2-CG 3.72Å; L160-L184 HydrophobicContact CG-CD1 3.78Å; L160-L184 HydrophobicContact CG-CG 4.01Å; L184-L189 HydrophobicContact CB-CD2 4.33Å; L184-L189 VanDerWaalsContact O-CD2 3.31Å; L184-L189 WeakPolarHBondContact O-CD2 3.43Å; L184-C201 CarbonylContact C-O 3.48Å; L184-C201 WeakPolarHBondContact CA-O 3.13Å; L184-L202 HydrophobicContact CD2-CD2 3.26Å
185	G	92.8	Very high	94.3	Very high	9 Å²	9	44.8 Å²	44.8	9%	0.093	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-178.5	169.1	0	0	0	0	0	111.8	C201	G185-C201 PolarHBondContact N-O 2.92Å; G185-C201 WeakPolarHBondContact O-CB 3.36Å; G185-C201 PolarHBondContact O-N 2.95Å
186	G	91.9	Very high	94.4	Very high	20 Å²	20	37.1 Å²	37.1	21%	0.206	21%	0.207	C	C	.	.	S	Bend	trans	82.1	-170.3	177	0	0	0	0	0	113.7	L188 L189 D190 Y345	G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 2.94Å; G186-L189 PolarHBondContact O-N 3.24Å; G186-D190 PolarHBondContact O-N 3.29Å; G186-Y345 PolarHBondContact O-OH 2.98Å
187	S	93.8	Very high	94.4	Very high	25 Å²	25	33.4 Å²	33.4	18%	0.175	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.3	-163.3	58.7	0	0	0	0	115.5	D191 L192 Q193 Y345	S187-D191 PolarHBondContact O-N 3.25Å; S187-L192 PolarHBondContact O-N 3.46Å; S187-Q193 PolarHBondContact O-N 3.02Å; S187-Y345 WeakPolarHBondContact CA-OH 3.43Å; S187-Y345 PolarHBondContact N-OH 3.38Å
188	L	93.9	Very high	94.3	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-42.4	176	-174.3	61	0	0	0	111.2	V152 A155 Q156 G186 A197 A200	V152-L188 HydrophobicContact CG1-CD1 3.99Å; A155-L188 HydrophobicContact CB-CD1 4.48Å; A155-L188 HydrophobicContact CB-CD2 4Å; Q156-L188 HydrophobicContact CG-CD2 3.82Å; Q156-L188 HydrophobicContact CG-CG 3.86Å; Q156-L188 PolarHBondContact NE2-O 3.27Å; Q156-L188 VanDerWaalsContact NE2-O 3.13Å; G186-L188 VanDerWaalsContact C-N 3.29Å; G186-L188 PolarHBondContact O-N 2.94Å; L188-A197 HydrophobicContact CD1-CB 4.04Å; L188-A200 HydrophobicContact CD2-CB 3.81Å
189	L	94.3	Very high	94.3	Very high	88 Å²	88	36 Å²	36	46%	0.461	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-37	-179	-175	66.3	0	0	0	111.4	L184 G186 D191	L184-L189 HydrophobicContact CB-CD2 4.33Å; L184-L189 VanDerWaalsContact O-CD2 3.31Å; L184-L189 WeakPolarHBondContact O-CD2 3.43Å; G186-L189 PolarHBondContact O-N 3.24Å; L189-D191 VanDerWaalsContact C-N 3.27Å; L189-D191 PolarHBondContact O-N 2.99Å
190	D	94.2	Very high	94.3	Very high	54 Å²	54	35.2 Å²	35.2	29%	0.289	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9.6	-176.6	-64.4	-46.6	0	0	0	114.2	G186 L192 Y345 R364	G186-D190 PolarHBondContact O-N 3.29Å; D190-L192 HydrophobicContact CB-CD1 4.24Å; D190-L192 HydrophobicContact CB-CG 4.24Å; D190-L192 PolarHBondContact O-N 2.99Å; D190-Y345 WeakPolarHBondContact OD2-CE1 3.34Å; D190-Y345 PolarHBondContact OD2-OH 3.49Å; D190-R364 PolarHBondContact O-NH2 3.3Å
191	D	94.8	Very high	94.4	Very high	85 Å²	85	35.3 Å²	35.3	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.6	-174.6	-178.8	38.1	0	0	0	113.2	S187 L189 K368	S187-D191 PolarHBondContact O-N 3.25Å; L189-D191 VanDerWaalsContact C-N 3.27Å; L189-D191 PolarHBondContact O-N 2.99Å; D191-K368 VanDerWaalsContact CG-NZ 3.33Å; D191-K368 WeakPolarHBondContact O-CD 3.14Å; D191-K368 WeakPolarHBondContact O-CE 3.29Å; D191-K368 PolarHBondContact O-NZ 3.26Å; D191-K368 IonicContact OD1-NZ 2.87Å; D191-K368 PolarHBondContact OD1-NZ 2.79Å; D191-K368 IonicContact OD2-NZ 3.2Å; D191-K368 PolarHBondContact OD2-NZ 3.29Å
192	L	96.1	Very high	94.5	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	16%	0.159	C	C	.	.			trans	-112.3	-5	178.2	-66.1	-179.9	0	0	0	112.8	S187 D190 T349 R364 L367 K371	S187-L192 PolarHBondContact O-N 3.46Å; D190-L192 HydrophobicContact CB-CD1 4.24Å; D190-L192 HydrophobicContact CB-CG 4.24Å; D190-L192 PolarHBondContact O-N 2.99Å; L192-T349 HydrophobicContact CD1-CG2 3.53Å; L192-R364 HydrophobicContact CD2-CB 4.31Å; L192-R364 HydrophobicContact CD2-CG 4.32Å; L192-L367 HydrophobicContact CD1-CD2 4.29Å; L192-L367 HydrophobicContact CD2-CD2 4.16Å; L192-K371 WeakPolarHBondContact O-CE 3.27Å; L192-K371 PolarHBondContact O-NZ 3.25Å
193	Q	95.1	Very high	94.5	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.037	16%	0.162	C	C	.	.			trans	-74.5	152	174.8	-166.2	161.9	14.8	0	0	111.1	L147 S187 S196 D198 H199	L147-Q193 HydrophobicContact CD1-CB 3.95Å; L147-Q193 HydrophobicContact CD1-CG 4.1Å; S187-Q193 PolarHBondContact O-N 3.02Å; Q193-S196 WeakPolarHBondContact CG-O 3.17Å; Q193-D198 PolarHBondContact NE2-OD1 2.96Å; Q193-H199 PolarHBondContact NE2-O 3.35Å; Q193-H199 PolarHBondContact OE1-O 2.91Å; Q193-H199 VanDerWaalsContact OE1-O 3.06Å
194	V	95.2	Very high	94.6	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.03	15%	0.146	C	C	.	.			trans	-144.5	156.5	-169.4	-60.6	0	0	0	0	111.2	V145 S196 K368 K371 A372 K375	V145-V194 HydrophobicContact CG1-CB 4.02Å; V145-V194 HydrophobicContact CG1-CG1 3.65Å; V194-S196 PolarHBondContact O-N 3.04Å; V194-K368 HydrophobicContact CG1-CB 3.69Å; V194-K368 HydrophobicContact CG1-CG 3.91Å; V194-K368 WeakPolarHBondContact CG1-O 3.38Å; V194-K371 HydrophobicContact CG1-CB 4.37Å; V194-K371 HydrophobicContact CG2-CB 3.74Å; V194-A372 HydrophobicContact CB-CB 4.22Å; V194-A372 HydrophobicContact CG2-CB 4.16Å; V194-K375 HydrophobicContact CG2-CD 4.5Å; V194-K375 PolarHBondContact O-NZ 2.84Å
195	V	93.3	Very high	94.7	Very high	44 Å²	44	25.1 Å²	25.1	27%	0.267	15%	0.146	S	C	.	.	S	Bend	trans	70.1	-51.9	178.9	-177.2	0	0	0	0	114	R144 V145 L147 A372 K375 L376	R144-V195 WeakPolarHBondContact O-CA 3.26Å; V145-V195 PolarHBondContact O-N 3.39Å; L147-V195 VanDerWaalsContact CD2-C 3.49Å; V195-A372 HydrophobicContact CG2-CB 3.96Å; V195-K375 HydrophobicContact CB-CD 3.99Å; V195-K375 HydrophobicContact CG2-CB 4.42Å; V195-K375 HydrophobicContact CG2-CD 4.05Å; V195-K375 HydrophobicContact CG2-CG 4.37Å; V195-L376 HydrophobicContact CG1-CD2 3.82Å; V195-L376 HydrophobicContact CG2-CD1 4.11Å; V195-L376 HydrophobicContact CG2-CD2 4.13Å; V195-L376 HydrophobicContact CG2-CG 3.92Å
196	S	91.6	Very high	94.9	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.063	14%	0.144	C	C	.	.	S	Bend	trans	-151.9	150.8	176.6	50.4	0	0	0	0	110.5	L147 Q193 V194 D198 Q309 K375	L147-S196 VanDerWaalsContact CD2-CA 3.47Å; L147-S196 VanDerWaalsContact CD2-N 3.31Å; Q193-S196 WeakPolarHBondContact CG-O 3.17Å; V194-S196 PolarHBondContact O-N 3.04Å; S196-D198 PolarHBondContact O-N 3.34Å; S196-D198 PolarHBondContact OG-OD2 3.34Å; S196-Q309 VanDerWaalsContact CB-OE1 3.27Å; S196-Q309 PolarHBondContact OG-OE1 3.34Å; S196-K375 PolarHBondContact OG-NZ 3.49Å; S196-K375 VanDerWaalsContact OG-NZ 3.09Å
197	A	93	Very high	95.1	Very high	10 Å²	10	29.4 Å²	29.4	8%	0.083	16%	0.159	C	C	.	.			trans	-81.1	62.8	171.3	0	0	0	0	0	110.6	L147 E151 A155 L188 L311	L147-A197 HydrophobicContact CD1-CB 4.25Å; E151-A197 HydrophobicContact CG-CB 3.96Å; E151-A197 PolarHBondContact OE1-N 3.12Å; A155-A197 HydrophobicContact CB-CB 3.81Å; L188-A197 HydrophobicContact CD1-CB 4.04Å; A197-L311 WeakPolarHBondContact O-CD1 3.31Å
198	D	92.6	Very high	95.2	Very high	40 Å²	40	30.1 Å²	30.1	21%	0.214	16%	0.16	C	C	.	.			trans	-96.3	-3.8	-169.6	61.5	-14.2	0	0	0	115	Q193 S196 F312 K375	Q193-D198 PolarHBondContact NE2-OD1 2.96Å; S196-D198 PolarHBondContact O-N 3.34Å; S196-D198 PolarHBondContact OG-OD2 3.34Å; D198-F312 PolarHBondContact O-N 2.81Å; D198-K375 IonicContact OD1-NZ 3.21Å; D198-K375 PolarHBondContact OD1-NZ 3.21Å; D198-K375 VanDerWaalsContact OD2-CE 3.31Å; D198-K375 WeakPolarHBondContact OD2-CE 3.47Å; D198-K375 IonicContact OD2-NZ 2.77Å; D198-K375 PolarHBondContact OD2-NZ 3.4Å
199	H	95	Very high	95.3	Very high	59 Å²	59	32.3 Å²	32.3	27%	0.273	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	134.5	-176.4	-175.7	-96.6	0	0	0	112.4	Q193 F312 S314	Q193-H199 PolarHBondContact NE2-O 3.35Å; Q193-H199 PolarHBondContact OE1-O 2.91Å; Q193-H199 VanDerWaalsContact OE1-O 3.06Å; H199-F312 CarbonylContact C-O 3.54Å; H199-F312 VanDerWaalsContact CA-O 3.23Å; H199-F312 WeakPolarHBondContact CA-O 3.41Å; H199-S314 PolarHBondContact NE2-OG 2.93Å
200	A	95.6	Very high	95.2	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.7	166.6	0	0	0	0	0	110.6	A159 L188 F312 I313 S314	A159-A200 HydrophobicContact CB-CB 3.89Å; L188-A200 HydrophobicContact CD2-CB 3.81Å; A200-F312 PolarHBondContact N-O 3.38Å; A200-I313 HydrophobicContact CB-CG1 4.3Å; A200-I313 WeakPolarHBondContact O-CA 3.33Å; A200-S314 PolarHBondContact O-N 3.36Å
201	C	96.1	Very high	95.2	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.088	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.5	176.4	-173.3	0	0	0	0	110.4	L184 G185 S314	L184-C201 CarbonylContact C-O 3.48Å; L184-C201 WeakPolarHBondContact CA-O 3.13Å; G185-C201 PolarHBondContact N-O 2.92Å; G185-C201 WeakPolarHBondContact O-CB 3.36Å; G185-C201 PolarHBondContact O-N 2.95Å; C201-S314 CarbonylContact C-O 3.42Å; C201-S314 WeakPolarHBondContact CA-O 3.42Å
202	L	97.4	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.9	169.6	-55.1	-175.1	0	0	0	108.6	I162 C163 I166 M182 L184 I313 S314 M315 L316	I162-L202 HydrophobicContact CG2-CD1 4.39Å; C163-L202 HydrophobicContact CB-CD1 4.12Å; C163-L202 HydrophobicContact CB-CD2 3.83Å; I166-L202 HydrophobicContact CD1-CD1 4.01Å; M182-L202 HydrophobicContact CE-CD1 4.47Å; L184-L202 HydrophobicContact CD2-CD2 3.26Å; L202-I313 HydrophobicContact CD1-CG2 3.6Å; L202-I313 HydrophobicContact CD2-CG2 4.12Å; L202-I313 HydrophobicContact CG-CG2 3.42Å; L202-I313 VanDerWaalsContact CG-CG2 3.42Å; L202-S314 PolarHBondContact N-O 2.89Å; L202-M315 HydrophobicContact CB-CG 4.35Å; L202-M315 HydrophobicContact CD1-CG 4.25Å; L202-M315 CarbonylContact O-C 3.5Å; L202-M315 WeakPolarHBondContact O-CA 3.49Å; L202-L316 PolarHBondContact O-N 3.33Å
203	L	97.5	Very high	95.3	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.141	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.2	173.5	-51.4	-178.7	0	0	0	108.5	M182 N183 P205 L316 V318 R320	M182-L203 WeakPolarHBondContact CA-O 3.43Å; N183-L203 PolarHBondContact N-O 3.48Å; N183-L203 PolarHBondContact O-N 3.42Å; N183-L203 WeakPolarHBondContact OD1-CB 3.5Å; L203-P205 WeakPolarHBondContact O-CD 3.23Å; L203-L316 HydrophobicContact CD2-CB 4.25Å; L203-L316 HydrophobicContact CD2-CD2 4.1Å; L203-V318 HydrophobicContact CB-CG1 4.39Å; L203-V318 HydrophobicContact CB-CG2 4.25Å; L203-V318 HydrophobicContact CD2-CG1 4.06Å; L203-R320 VanDerWaalsContact CD1-NH2 3.26Å
204	V	97.5	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	91.7	179.3	-173.5	0	0	0	0	108.3	L179 M182 L206 F264 M315 L316 P317 V318	L179-V204 HydrophobicContact CD1-CG1 4.37Å; L179-V204 HydrophobicContact CD2-CG1 4.14Å; M182-V204 HydrophobicContact CE-CG2 3.95Å; M182-V204 HydrophobicContact CG-CG1 4.39Å; M182-V204 HydrophobicContact CG-CG2 4.48Å; M182-V204 HydrophobicContact SD-CG1 4.46Å; M182-V204 HydrophobicContact SD-CG2 4.37Å; V204-L206 HydrophobicContact CG1-CD2 4.25Å; V204-L206 PolarHBondContact O-N 3.48Å; V204-F264 HydrophobicContact CG1-CE1 3.97Å; V204-F264 HydrophobicContact CG1-CE2 4.47Å; V204-F264 HydrophobicContact CG1-CZ 3.69Å; V204-M315 HydrophobicContact CG2-CE 4Å; V204-L316 PolarHBondContact N-O 3.13Å; V204-P317 WeakPolarHBondContact O-CA 3.27Å; V204-V318 PolarHBondContact O-N 3.25Å
205	P	97.3	Very high	95.4	Very high	17 Å²	17	35.7 Å²	35.7	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.2	-173.6	-15.2	32.2	0	0	0	110.8	L179 G180 E181 L203 V318	L179-P205 WeakPolarHBondContact CA-O 3.35Å; G180-P205 PolarHBondContact N-O 3.04Å; E181-P205 WeakPolarHBondContact O-CD 3.49Å; E181-P205 WeakPolarHBondContact O-CG 3.47Å; L203-P205 WeakPolarHBondContact O-CD 3.23Å; P205-V318 WeakPolarHBondContact CA-O 3.46Å; P205-V318 HydrophobicContact CB-CG2 4.08Å; P205-V318 HydrophobicContact CG-CG2 4.2Å
206	L	97.5	Very high	95.6	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.052	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-89.6	131.5	175.4	-39.7	-179.3	0	0	0	108.8	L179 V204 W246 V260 F264 P317 V318 L319 W340	L179-L206 HydrophobicContact CD2-CD2 3.56Å; V204-L206 HydrophobicContact CG1-CD2 4.25Å; V204-L206 PolarHBondContact O-N 3.48Å; L206-W246 HydrophobicContact CB-CH2 4.05Å; L206-W246 HydrophobicContact CB-CZ2 3.72Å; L206-W246 HydrophobicContact CD1-CH2 4.18Å; L206-W246 HydrophobicContact CD1-CZ3 4.28Å; L206-W246 HydrophobicContact CD2-CH2 3.75Å; L206-W246 HydrophobicContact CD2-CZ2 4.24Å; L206-W246 HydrophobicContact CD2-CZ3 4.46Å; L206-W246 HydrophobicContact CG-CH2 4.21Å; L206-W246 HydrophobicContact CG-CZ2 4.38Å; L206-V260 HydrophobicContact CD1-CG1 3.88Å; L206-F264 HydrophobicContact CD2-CE2 3.9Å; L206-F264 HydrophobicContact CD2-CZ 3.89Å; L206-P317 HydrophobicContact CD1-CB 4.2Å; L206-P317 HydrophobicContact CD2-CB 4.35Å; L206-P317 HydrophobicContact CG-CB 4.43Å; L206-V318 PolarHBondContact N-O 3.19Å; L206-L319 HydrophobicContact CB-CD2 3.76Å; L206-L319 HydrophobicContact CD1-CD2 4.32Å; L206-L319 HydrophobicContact CG-CD2 4.4Å; L206-W340 HydrophobicContact CD1-CH2 3.66Å; L206-W340 HydrophobicContact CD1-CZ3 4.42Å
207	Q	96.2	Very high	95.8	Very high	109 Å²	109	35 Å²	35	51%	0.509	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-93.7	116.8	177.4	-64.4	179.4	-7.7	0	0	109.5	P178 W246	P178-Q207 HydrophobicContact CB-CB 4.22Å; P178-Q207 WeakPolarHBondContact O-CB 3.29Å; P178-Q207 PolarHBondContact O-N 2.65Å; Q207-W246 PolarHBondContact O-NE1 3.47Å
208	L	95.6	Very high	96	Very high	40 Å²	40	34.5 Å²	34.5	21%	0.209	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-100.2	139.7	174.6	-62.3	-174.1	0	0	0	110.2	W213 L215 V231 W246 L255 L319	L208-W213 HydrophobicContact CB-CB 4.15Å; L208-W213 HydrophobicContact CB-CG 3.98Å; L208-W213 HydrophobicContact CD1-CB 3.97Å; L208-W213 HydrophobicContact CD1-CG 4.06Å; L208-W213 HydrophobicContact CD2-CD2 4.3Å; L208-W213 HydrophobicContact CD2-CG 4.2Å; L208-W213 HydrophobicContact CG-CG 4.3Å; L208-L215 HydrophobicContact CD1-CD1 4.4Å; L208-V231 HydrophobicContact CD1-CG1 3.79Å; L208-W246 HydrophobicContact CD2-CD2 4.46Å; L208-W246 HydrophobicContact CD2-CG 3.92Å; L208-L255 HydrophobicContact CD2-CD2 3.94Å; L208-L319 HydrophobicContact CD1-CD1 3.94Å; L208-L319 HydrophobicContact CD1-CD2 3.5Å; L208-L319 HydrophobicContact CD1-CG 4.33Å; L208-L319 HydrophobicContact CD2-CD2 4.08Å; L208-L319 HydrophobicContact CG-CD2 3.53Å
209	E	95.6	Very high	96	Very high	53 Å²	53	37.4 Å²	37.4	25%	0.248	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-71.4	119.9	173.6	-52.5	91.1	151.4	0	0	109.9	S211 L212 W213 S244	E209-S211 PolarHBondContact O-N 3.31Å; E209-L212 HydrophobicContact CB-CB 4.15Å; E209-L212 HydrophobicContact CB-CD1 3.92Å; E209-L212 HydrophobicContact CB-CG 3.93Å; E209-L212 HydrophobicContact CG-CD1 4.12Å; E209-L212 PolarHBondContact O-N 2.81Å; E209-W213 VanDerWaalsContact O-CD1 3.31Å; E209-W213 PolarHBondContact O-N 3.26Å; E209-W213 PolarHBondContact OE2-NE1 3.2Å; E209-S244 VanDerWaalsContact CD-OG 3.24Å; E209-S244 WeakPolarHBondContact OE1-CA 3.23Å; E209-S244 WeakPolarHBondContact OE1-CB 3.29Å; E209-S244 PolarHBondContact OE1-OG 3.45Å; E209-S244 PolarHBondContact OE2-OG 3.02Å
210	P	92.1	Very high	96.1	Very high	125 Å²	125	41.4 Å²	41.4	81%	0.812	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.1	-170.1	24.3	-34.8	0	0	0	113.5
211	S	93.6	Very high	96	Very high	64 Å²	64	42.5 Å²	42.5	45%	0.448	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.4	177	59.5	0	0	0	0	114.1	E209 N235	E209-S211 PolarHBondContact O-N 3.31Å; S211-N235 PolarHBondContact O-ND2 3.25Å
212	L	96.9	Very high	95.8	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-20.7	-174.6	-57	-174.4	0	0	0	112.9	E209 R233 I234 F239	E209-L212 HydrophobicContact CB-CB 4.15Å; E209-L212 HydrophobicContact CB-CD1 3.92Å; E209-L212 HydrophobicContact CB-CG 3.93Å; E209-L212 HydrophobicContact CG-CD1 4.12Å; E209-L212 PolarHBondContact O-N 2.81Å; L212-R233 WeakPolarHBondContact O-CD 3.14Å; L212-I234 VanDerWaalsContact O-CG1 3.24Å; L212-I234 WeakPolarHBondContact O-CG1 3.5Å; L212-I234 PolarHBondContact O-N 2.83Å; L212-F239 HydrophobicContact CD2-CB 3.64Å; L212-F239 HydrophobicContact CD2-CD1 4.49Å; L212-F239 HydrophobicContact CD2-CD2 3.69Å; L212-F239 HydrophobicContact CD2-CE2 4.48Å; L212-F239 HydrophobicContact CD2-CG 3.69Å
213	W	97.1	Very high	95.5	Very high	12 Å²	12	52 Å²	52	5%	0.045	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.2	-174.1	-56.5	96	0	0	0	111.8	L208 E209 V231 R232 R233 S244 W246 L250 L255	L208-W213 HydrophobicContact CB-CB 4.15Å; L208-W213 HydrophobicContact CB-CG 3.98Å; L208-W213 HydrophobicContact CD1-CB 3.97Å; L208-W213 HydrophobicContact CD1-CG 4.06Å; L208-W213 HydrophobicContact CD2-CD2 4.3Å; L208-W213 HydrophobicContact CD2-CG 4.2Å; L208-W213 HydrophobicContact CG-CG 4.3Å; E209-W213 VanDerWaalsContact O-CD1 3.31Å; E209-W213 PolarHBondContact O-N 3.26Å; E209-W213 PolarHBondContact OE2-NE1 3.2Å; W213-V231 HydrophobicContact CE3-CG1 4Å; W213-R232 WeakPolarHBondContact CA-O 3.36Å; W213-R233 HydrophobicContact CE3-CB 4.24Å; W213-R233 HydrophobicContact CH2-CB 4.3Å; W213-R233 HydrophobicContact CH2-CG 4.44Å; W213-R233 HydrophobicContact CZ3-CB 3.84Å; W213-R233 HydrophobicContact CZ3-CG 4.42Å; W213-S244 PolarHBondContact NE1-OG 2.99Å; W213-W246 HydrophobicContact CH2-CB 3.89Å; W213-W246 HydrophobicContact CZ2-CB 3.5Å; W213-W246 VanDerWaalsContact CZ2-CB 3.5Å; W213-W246 HydrophobicContact CZ2-CG 4.47Å; W213-L250 HydrophobicContact CH2-CD2 3.65Å; W213-L250 HydrophobicContact CH2-CG 4.25Å; W213-L250 HydrophobicContact CZ3-CD2 3.65Å; W213-L255 HydrophobicContact CE3-CB 4.27Å; W213-L255 HydrophobicContact CH2-CB 4.27Å; W213-L255 HydrophobicContact CZ3-CB 3.66Å
214	H	96.1	Very high	95.2	Very high	92 Å²	92	55.8 Å²	55.8	43%	0.426	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.3	175.2	-177.6	48.5	0	0	0	110.2	R232 I234	H214-R232 PolarHBondContact N-O 3.35Å; H214-R232 PolarHBondContact O-N 3.44Å; H214-I234 HydrophobicContact CB-CD1 4.41Å; H214-I234 HydrophobicContact CB-CG2 3.88Å
215	L	96.8	Very high	95.1	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.4	176.1	-80.8	61.2	0	0	0	109.1	L208 W229 V231 E321 L326	L208-L215 HydrophobicContact CD1-CD1 4.4Å; L215-W229 HydrophobicContact CB-CE3 4.01Å; L215-W229 HydrophobicContact CB-CZ3 4.11Å; L215-V231 HydrophobicContact CD1-CG1 4.35Å; L215-V231 HydrophobicContact CG-CG2 4.37Å; L215-E321 WeakPolarHBondContact CB-OE2 3.31Å; L215-E321 WeakPolarHBondContact CD1-OE2 3.44Å; L215-E321 HydrophobicContact CD2-CB 3.87Å; L215-E321 WeakPolarHBondContact CD2-OE2 3.26Å; L215-L326 HydrophobicContact CD2-CD1 3.56Å; L215-L326 HydrophobicContact CD2-CG 4.18Å; L215-L326 HydrophobicContact CG-CD1 3.89Å
216	I	96.8	Very high	95	Very high	20 Å²	20	58.7 Å²	58.7	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.4	-177.3	-53.3	174.3	0	0	0	108.3	G218 E220 T221 W229 M230 R232 Y254	I216-G218 PolarHBondContact O-N 3.41Å; I216-E220 HydrophobicContact CG2-CB 4.24Å; I216-T221 HydrophobicContact CB-CG2 4.4Å; I216-T221 HydrophobicContact CG2-CG2 3.65Å; I216-W229 WeakPolarHBondContact O-CA 3.42Å; I216-M230 HydrophobicContact CB-CB 4.42Å; I216-M230 PolarHBondContact N-O 3.29Å; I216-M230 PolarHBondContact O-N 3.05Å; I216-R232 HydrophobicContact CD1-CB 3.77Å; I216-R232 HydrophobicContact CD1-CG 4.43Å; I216-Y254 HydrophobicContact CD1-CE1 4.49Å
217	P	96.7	Very high	94.9	Very high	17 Å²	17	59.1 Å²	59.1	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	136.6	172.9	-20.8	30.4	0	0	0	111.2	E219 E220 W229	P217-E219 HydrophobicContact CB-CG 3.71Å; P217-E219 PolarHBondContact O-N 3.1Å; P217-E220 HydrophobicContact CB-CG 4.31Å; P217-E220 HydrophobicContact CG-CG 4.42Å; P217-E220 WeakPolarHBondContact O-CB 3.19Å; P217-E220 PolarHBondContact O-N 3.48Å; P217-W229 HydrophobicContact CB-CD2 4.48Å; P217-W229 HydrophobicContact CB-CH2 4.18Å; P217-W229 HydrophobicContact CB-CZ2 4.1Å; P217-W229 HydrophobicContact CB-CZ3 4.37Å; P217-W229 HydrophobicContact CG-CE3 4.3Å; P217-W229 HydrophobicContact CG-CH2 3.63Å; P217-W229 HydrophobicContact CG-CZ2 4.04Å; P217-W229 HydrophobicContact CG-CZ3 3.76Å
218	G	95.2	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-61.8	-28.1	-178.5	0	0	0	0	0	113.3	I216 E220 T221 T224 H228	I216-G218 PolarHBondContact O-N 3.41Å; G218-E220 PolarHBondContact O-N 3.01Å; G218-T221 PolarHBondContact O-N 3.3Å; G218-T221 PolarHBondContact O-OG1 3.46Å; G218-T224 WeakPolarHBondContact O-CA 3.21Å; G218-T224 PolarHBondContact O-N 2.78Å; G218-H228 WeakPolarHBondContact CA-O 3.28Å; G218-H228 PolarHBondContact N-O 2.99Å
219	E	94.6	Very high	95	Very high	101 Å²	101	53.5 Å²	53.5	47%	0.472	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.8	-26.6	171.7	58.1	-159.9	144.2	0	0	113.6	P217 K432	P217-E219 HydrophobicContact CB-CG 3.71Å; P217-E219 PolarHBondContact O-N 3.1Å; E219-K432 IonicContact OE1-NZ 3.5Å; E219-K432 PolarHBondContact OE1-NZ 3.1Å
220	E	95.6	Very high	95.1	Very high	143 Å²	143	51.9 Å²	51.9	67%	0.668	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-91.4	0.9	175.8	-60.6	-179.9	-168.8	0	0	113	I216 P217 G218	I216-E220 HydrophobicContact CG2-CB 4.24Å; P217-E220 HydrophobicContact CB-CG 4.31Å; P217-E220 HydrophobicContact CG-CG 4.42Å; P217-E220 WeakPolarHBondContact O-CB 3.19Å; P217-E220 PolarHBondContact O-N 3.48Å; G218-E220 PolarHBondContact O-N 3.01Å
221	T	94.3	Very high	95.4	Very high	27 Å²	27	45.9 Å²	45.9	17%	0.166	24%	0.239	C	C	.	.	S	Bend	trans	-112.6	173.9	-179.4	74.4	0	0	0	0	111.1	I216 G218 L223 T224 M230	I216-T221 HydrophobicContact CB-CG2 4.4Å; I216-T221 HydrophobicContact CG2-CG2 3.65Å; G218-T221 PolarHBondContact O-N 3.3Å; G218-T221 PolarHBondContact O-OG1 3.46Å; T221-L223 PolarHBondContact O-N 2.9Å; T221-L223 VanDerWaalsContact O-N 3.09Å; T221-L223 VanDerWaalsContact OG1-CB 3.3Å; T221-L223 WeakPolarHBondContact OG1-CB 3.39Å; T221-L223 WeakPolarHBondContact OG1-CG 3.38Å; T221-L223 PolarHBondContact OG1-N 3.45Å; T221-L223 VanDerWaalsContact OG1-N 3.14Å; T221-T224 WeakPolarHBondContact O-CG2 3.34Å; T221-T224 PolarHBondContact O-N 2.81Å; T221-T224 VanDerWaalsContact O-N 3.09Å; T221-M230 HydrophobicContact CG2-CB 4.38Å; T221-M230 HydrophobicContact CG2-CG 3.95Å
222	L	91.9	Very high	95.6	Very high	180 Å²	180	48.9 Å²	48.9	94%	0.942	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.5	171.9	-60.8	177.3	0	0	0	113.5	T224	L222-T224 VanDerWaalsContact C-N 3.32Å
223	L	90.9	Very high	95.6	Very high	31 Å²	31	48.9 Å²	48.9	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-34.6	174.4	-57	-179.7	0	0	0	111.5	T221 H225 H228 M230 W336 A339	T221-L223 PolarHBondContact O-N 2.9Å; T221-L223 VanDerWaalsContact O-N 3.09Å; T221-L223 VanDerWaalsContact OG1-CB 3.3Å; T221-L223 WeakPolarHBondContact OG1-CB 3.39Å; T221-L223 WeakPolarHBondContact OG1-CG 3.38Å; T221-L223 PolarHBondContact OG1-N 3.45Å; T221-L223 VanDerWaalsContact OG1-N 3.14Å; L223-H225 PolarHBondContact O-N 3.49Å; L223-H228 HydrophobicContact CD1-CB 4.09Å; L223-M230 HydrophobicContact CD1-CG 3.93Å; L223-M230 HydrophobicContact CD1-SD 3.67Å; L223-W336 HydrophobicContact CD2-CB 4.21Å; L223-W336 HydrophobicContact CD2-CD2 4.14Å; L223-W336 HydrophobicContact CD2-CG 3.58Å; L223-A339 HydrophobicContact CD1-CB 4.03Å
224	T	92.1	Very high	95.6	Very high	108 Å²	108	50.5 Å²	50.5	66%	0.663	25%	0.249	S	C	*	.			trans	52.7	17.1	-175.8	61.4	0	0	0	0	114.8	G218 T221 L222	G218-T224 WeakPolarHBondContact O-CA 3.21Å; G218-T224 PolarHBondContact O-N 2.78Å; T221-T224 WeakPolarHBondContact O-CG2 3.34Å; T221-T224 PolarHBondContact O-N 2.81Å; T221-T224 VanDerWaalsContact O-N 3.09Å; L222-T224 VanDerWaalsContact C-N 3.32Å
225	H	94.4	Very high	95.5	Very high	61 Å²	61	49.8 Å²	49.8	28%	0.282	25%	0.248	S	C	.	.			trans	-101.3	123.9	-172.9	-168.6	-55.6	0	0	0	111.4	L223 L227 H228	L223-H225 PolarHBondContact O-N 3.49Å; H225-L227 PolarHBondContact ND1-N 2.82Å; H225-L227 VanDerWaalsContact ND1-N 3.16Å; H225-L227 PolarHBondContact O-N 3.07Å; H225-H228 HydrophobicContact CB-CB 4.05Å; H225-H228 AromaticContact CD2-CE1 3.57Å; H225-H228 AromaticContact CD2-ND1 3.55Å; H225-H228 AromaticContact CE1-CE1 3.63Å; H225-H228 AromaticContact CE1-ND1 3.36Å; H225-H228 PolarHBondContact CE1-ND1 3.43Å; H225-H228 AromaticContact CG-CE1 3.59Å; H225-H228 AromaticContact CG-CG 3.89Å; H225-H228 AromaticContact CG-ND1 3.06Å; H225-H228 AromaticContact ND1-CE1 3.62Å; H225-H228 AromaticContact ND1-CG 3.96Å; H225-H228 AromaticContact ND1-ND1 2.92Å; H225-H228 PolarHBondContact ND1-ND1 2.82Å; H225-H228 AromaticContact NE2-CE1 3.6Å; H225-H228 AromaticContact NE2-ND1 3.72Å; H225-H228 PolarHBondContact O-N 2.8Å; H225-H228 VanDerWaalsContact O-N 3.1Å
226	P	94.5	Very high	95.4	Very high	17 Å²	17	52.4 Å²	52.4	11%	0.11	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.8	-171.1	25.4	-37.1	0	0	0	115.6	K432 A434 V435	P226-K432 HydrophobicContact CB-CD 4.47Å; P226-A434 HydrophobicContact CB-CB 4.47Å; P226-A434 HydrophobicContact CG-CB 4.11Å; P226-V435 HydrophobicContact CB-CG2 4.09Å; P226-V435 HydrophobicContact CG-CG2 3.45Å; P226-V435 VanDerWaalsContact CG-CG2 3.45Å
227	L	96	Very high	95.2	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.094	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.4	173.2	-58.1	-174.8	0	0	0	115	H225 H341 L342 L344 K432 V435	H225-L227 PolarHBondContact ND1-N 2.82Å; H225-L227 VanDerWaalsContact ND1-N 3.16Å; H225-L227 PolarHBondContact O-N 3.07Å; L227-H341 CarbonylContact O-C 3.57Å; L227-H341 WeakPolarHBondContact O-CA 3.37Å; L227-L342 HydrophobicContact CD2-CD2 4.48Å; L227-L342 PolarHBondContact O-N 3.23Å; L227-L344 HydrophobicContact CD2-CD1 3.79Å; L227-L344 HydrophobicContact CD2-CD2 4.43Å; L227-L344 HydrophobicContact CD2-CG 4.04Å; L227-K432 HydrophobicContact CD2-CB 4.39Å; L227-K432 HydrophobicContact CD2-CG 4.22Å; L227-V435 HydrophobicContact CD1-CG1 3.71Å; L227-V435 HydrophobicContact CD1-CG2 3.99Å; L227-V435 HydrophobicContact CD2-CG2 3.82Å; L227-V435 HydrophobicContact CG-CG1 4.23Å; L227-V435 HydrophobicContact CG-CG2 3.54Å
228	H	96.6	Very high	95.1	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.019	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.2	178.2	-69.2	59.5	0	0	0	109.1	G218 L223 H225 L332 T333 W336 A339 W340	G218-H228 WeakPolarHBondContact CA-O 3.28Å; G218-H228 PolarHBondContact N-O 2.99Å; L223-H228 HydrophobicContact CD1-CB 4.09Å; H225-H228 HydrophobicContact CB-CB 4.05Å; H225-H228 AromaticContact CD2-CE1 3.57Å; H225-H228 AromaticContact CD2-ND1 3.55Å; H225-H228 AromaticContact CE1-CE1 3.63Å; H225-H228 AromaticContact CE1-ND1 3.36Å; H225-H228 PolarHBondContact CE1-ND1 3.43Å; H225-H228 AromaticContact CG-CE1 3.59Å; H225-H228 AromaticContact CG-CG 3.89Å; H225-H228 AromaticContact CG-ND1 3.06Å; H225-H228 AromaticContact ND1-CE1 3.62Å; H225-H228 AromaticContact ND1-CG 3.96Å; H225-H228 AromaticContact ND1-ND1 2.92Å; H225-H228 PolarHBondContact ND1-ND1 2.82Å; H225-H228 AromaticContact NE2-CE1 3.6Å; H225-H228 AromaticContact NE2-ND1 3.72Å; H225-H228 PolarHBondContact O-N 2.8Å; H225-H228 VanDerWaalsContact O-N 3.1Å; H228-L332 PolarHBondContact NE2-O 2.81Å; H228-T333 VanDerWaalsContact NE2-CA 3.35Å; H228-T333 WeakPolarHBondContact NE2-CA 3.49Å; H228-W336 AromaticContact CD2-CE3 3.67Å; H228-W336 AromaticContact NE2-CE3 3.29Å; H228-W336 VanDerWaalsContact NE2-CE3 3.29Å; H228-W336 AromaticContact NE2-CZ3 3.5Å; H228-W336 WeakPolarHBondContact NE2-CZ3 3.33Å; H228-A339 HydrophobicContact CB-CB 4.24Å; H228-W340 CarbonylContact C-O 3.6Å; H228-W340 WeakPolarHBondContact CA-O 3.39Å
229	W	97.8	Very high	95.2	Very high	28 Å²	28	72.1 Å²	72.1	11%	0.106	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.5	177	-76.7	66.6	0	0	0	109.5	L215 I216 P217 V324 L326 A339 W340	L215-W229 HydrophobicContact CB-CE3 4.01Å; L215-W229 HydrophobicContact CB-CZ3 4.11Å; I216-W229 WeakPolarHBondContact O-CA 3.42Å; P217-W229 HydrophobicContact CB-CD2 4.48Å; P217-W229 HydrophobicContact CB-CH2 4.18Å; P217-W229 HydrophobicContact CB-CZ2 4.1Å; P217-W229 HydrophobicContact CB-CZ3 4.37Å; P217-W229 HydrophobicContact CG-CE3 4.3Å; P217-W229 HydrophobicContact CG-CH2 3.63Å; P217-W229 HydrophobicContact CG-CZ2 4.04Å; P217-W229 HydrophobicContact CG-CZ3 3.76Å; W229-V324 HydrophobicContact CE3-CG1 4.49Å; W229-V324 HydrophobicContact CH2-CG1 4.11Å; W229-V324 HydrophobicContact CH2-CG2 4.05Å; W229-V324 HydrophobicContact CZ2-CG1 4.21Å; W229-V324 HydrophobicContact CZ2-CG2 4.47Å; W229-V324 HydrophobicContact CZ3-CG1 4.27Å; W229-L326 HydrophobicContact CB-CD1 3.67Å; W229-L326 HydrophobicContact CB-CD2 3.69Å; W229-L326 HydrophobicContact CB-CG 4.33Å; W229-L326 HydrophobicContact CD2-CD1 4.46Å; W229-L326 HydrophobicContact CD2-CD2 3.82Å; W229-L326 HydrophobicContact CE3-CD1 4.45Å; W229-L326 HydrophobicContact CE3-CD2 4.43Å; W229-L326 HydrophobicContact CG-CD1 4.18Å; W229-L326 HydrophobicContact CG-CD2 3.45Å; W229-L326 VanDerWaalsContact CG-CD2 3.45Å; W229-L326 HydrophobicContact CG-CG 4.47Å; W229-A339 WeakPolarHBondContact O-CA 3.32Å; W229-W340 PolarHBondContact N-O 2.9Å; W229-W340 PolarHBondContact O-N 3.27Å
230	M	97.6	Very high	95.1	Very high	18 Å²	18	70.5 Å²	70.5	9%	0.089	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.4	176.5	-64	-67.4	-70.8	0	0	109.1	I216 T221 L223 Y254 N338 A339	I216-M230 HydrophobicContact CB-CB 4.42Å; I216-M230 PolarHBondContact N-O 3.29Å; I216-M230 PolarHBondContact O-N 3.05Å; T221-M230 HydrophobicContact CG2-CB 4.38Å; T221-M230 HydrophobicContact CG2-CG 3.95Å; L223-M230 HydrophobicContact CD1-CG 3.93Å; L223-M230 HydrophobicContact CD1-SD 3.67Å; M230-Y254 HydrophobicContact CB-CD1 3.89Å; M230-Y254 HydrophobicContact CB-CE1 4.01Å; M230-Y254 HydrophobicContact CE-CD1 3.62Å; M230-Y254 HydrophobicContact CE-CD2 3.86Å; M230-Y254 HydrophobicContact CE-CE1 3.99Å; M230-Y254 HydrophobicContact CE-CE2 4.22Å; M230-Y254 HydrophobicContact CE-CG 3.54Å; M230-N338 HydrophobicContact CE-CB 3.54Å; M230-N338 HydrophobicContact SD-CB 4.06Å; M230-A339 HydrophobicContact SD-CB 4.27Å
231	V	97.8	Very high	95.1	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	99.4	179.3	-178.9	0	0	0	0	108.1	L208 W213 L215 Y254 L255 L319 L326 W340	L208-V231 HydrophobicContact CD1-CG1 3.79Å; W213-V231 HydrophobicContact CE3-CG1 4Å; L215-V231 HydrophobicContact CD1-CG1 4.35Å; L215-V231 HydrophobicContact CG-CG2 4.37Å; V231-Y254 CarbonylContact O-C 3.58Å; V231-Y254 WeakPolarHBondContact O-CA 3.35Å; V231-L255 HydrophobicContact CB-CB 4.05Å; V231-L255 HydrophobicContact CG1-CB 3.94Å; V231-L255 HydrophobicContact CG1-CD2 4.18Å; V231-L255 PolarHBondContact O-N 3.39Å; V231-L319 HydrophobicContact CG1-CD1 4.33Å; V231-L319 HydrophobicContact CG2-CD1 3.66Å; V231-L326 HydrophobicContact CG2-CD1 4.18Å; V231-W340 HydrophobicContact CG2-CD2 4.36Å; V231-W340 HydrophobicContact CG2-CG 4Å
232	R	97.3	Very high	95	Very high	126 Å²	126	73.3 Å²	73.3	48%	0.475	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.8	-171.5	-171.3	177.7	-179	-174.6	2.2	111.4	W213 H214 I216 I234 Y254	W213-R232 WeakPolarHBondContact CA-O 3.36Å; H214-R232 PolarHBondContact N-O 3.35Å; H214-R232 PolarHBondContact O-N 3.44Å; I216-R232 HydrophobicContact CD1-CB 3.77Å; I216-R232 HydrophobicContact CD1-CG 4.43Å; R232-I234 HydrophobicContact CG-CG2 4.4Å; R232-Y254 HydrophobicContact CB-CD1 3.83Å; R232-Y254 HydrophobicContact CB-CE1 3.72Å; R232-Y254 HydrophobicContact CG-CD1 4.19Å; R232-Y254 HydrophobicContact CG-CE1 3.83Å
233	R	97.7	Very high	95.1	Very high	9 Å²	9	73.2 Å²	73.2	3%	0.034	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.4	167	-174.4	62.3	168.5	75.2	8.2	110.1	L212 W213 M236 F239 P240 D247 L250 G253	L212-R233 WeakPolarHBondContact O-CD 3.14Å; W213-R233 HydrophobicContact CE3-CB 4.24Å; W213-R233 HydrophobicContact CH2-CB 4.3Å; W213-R233 HydrophobicContact CH2-CG 4.44Å; W213-R233 HydrophobicContact CZ3-CB 3.84Å; W213-R233 HydrophobicContact CZ3-CG 4.42Å; R233-M236 HydrophobicContact CG-CG 3.93Å; R233-M236 HydrophobicContact CG-SD 3.49Å; R233-M236 WeakPolarHBondContact CG-SD 3.35Å; R233-F239 PolarHBondContact NH1-O 3.47Å; R233-F239 PolarHBondContact NH2-O 3.12Å; R233-P240 PolarHBondContact NH2-O 2.87Å; R233-D247 WeakPolarHBondContact CD-OD1 3.26Å; R233-D247 IonicContact CZ-OD1 2.75Å; R233-D247 IonicContact NE-OD1 2.58Å; R233-D247 PolarHBondContact NE-OD1 2.94Å; R233-D247 IonicContact NE-OD2 2.69Å; R233-D247 IonicContact NH2-OD1 3.34Å; R233-D247 IonicContact NH2-OD2 3.14Å; R233-D247 PolarHBondContact NH2-OD2 2.78Å; R233-L250 HydrophobicContact CB-CD1 4.29Å; R233-L250 HydrophobicContact CB-CD2 3.92Å; R233-L250 HydrophobicContact CG-CD1 4.15Å; R233-G253 WeakPolarHBondContact CB-O 3.32Å; R233-G253 PolarHBondContact N-O 3.02Å
234	I	97.2	Very high	95.4	Very high	47 Å²	47	71.9 Å²	71.9	24%	0.241	35%	0.345	C	S	.	.			trans	-110.2	168.9	-178.5	59.3	164.5	0	0	0	111.5	L212 H214 R232 M236	L212-I234 VanDerWaalsContact O-CG1 3.24Å; L212-I234 WeakPolarHBondContact O-CG1 3.5Å; L212-I234 PolarHBondContact O-N 2.83Å; H214-I234 HydrophobicContact CB-CD1 4.41Å; H214-I234 HydrophobicContact CB-CG2 3.88Å; R232-I234 HydrophobicContact CG-CG2 4.4Å; I234-M236 VanDerWaalsContact C-N 3.25Å; I234-M236 PolarHBondContact O-N 3.38Å
235	N	94.6	Very high	95.6	Very high	76 Å²	76	67.8 Å²	67.8	41%	0.406	32%	0.317	S	S	.	.			trans	57.9	31.5	175.6	-58.7	-35.1	0	0	0	115	S211 E237 Y238 F239	S211-N235 PolarHBondContact O-ND2 3.25Å; N235-E237 PolarHBondContact O-N 3.43Å; N235-Y238 PolarHBondContact O-N 3.36Å; N235-F239 HydrophobicContact CB-CD2 4.02Å; N235-F239 PolarHBondContact O-N 3.01Å
236	M	94	Very high	95.7	Very high	69 Å²	69	64.9 Å²	64.9	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.7	-179	-76.1	-75.9	-64.6	0	0	114.1	R233 I234 F239 R241	R233-M236 HydrophobicContact CG-CG 3.93Å; R233-M236 HydrophobicContact CG-SD 3.49Å; R233-M236 WeakPolarHBondContact CG-SD 3.35Å; I234-M236 VanDerWaalsContact C-N 3.25Å; I234-M236 PolarHBondContact O-N 3.38Å; M236-F239 CarbonylContact O-C 3.59Å; M236-R241 HydrophobicContact CE-CG 3.36Å; M236-R241 HydrophobicContact SD-CG 4.14Å
237	E	93.3	Very high	95.8	Very high	177 Å²	177	64.8 Å²	64.8	83%	0.827	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-38.3	177	-63.9	176.2	-177.1	0	0	112	N235	N235-E237 PolarHBondContact O-N 3.43Å
238	Y	94.3	Very high	95.8	Very high	183 Å²	183	71 Å²	71	72%	0.718	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-37.4	-179.3	-63.8	-82.7	0	0	0	112.1	N235	N235-Y238 PolarHBondContact O-N 3.36Å
239	F	96.1	Very high	95.8	Very high	91 Å²	91	72.6 Å²	72.6	40%	0.399	33%	0.33	S	S	.	.	S	Bend	trans	-120.5	88.4	-180	-58.9	-74.2	0	0	0	109.5	L212 R233 N235 M236 R243	L212-F239 HydrophobicContact CD2-CB 3.64Å; L212-F239 HydrophobicContact CD2-CD1 4.49Å; L212-F239 HydrophobicContact CD2-CD2 3.69Å; L212-F239 HydrophobicContact CD2-CE2 4.48Å; L212-F239 HydrophobicContact CD2-CG 3.69Å; R233-F239 PolarHBondContact NH1-O 3.47Å; R233-F239 PolarHBondContact NH2-O 3.12Å; N235-F239 HydrophobicContact CB-CD2 4.02Å; N235-F239 PolarHBondContact O-N 3.01Å; M236-F239 CarbonylContact O-C 3.59Å; F239-R243 HydrophobicContact CB-CB 4.46Å; F239-R243 HydrophobicContact CB-CG 4.44Å
240	P	94.3	Very high	95.8	Very high	68 Å²	68	72.6 Å²	72.6	44%	0.442	33%	0.332	S	S	.	.			trans	-65.8	171.2	-177.6	28.4	-36.1	0	0	0	112.1	R233 R243	R233-P240 PolarHBondContact NH2-O 2.87Å; P240-R243 WeakPolarHBondContact O-CB 3.23Å; P240-R243 VanDerWaalsContact O-CG 3.27Å; P240-R243 WeakPolarHBondContact O-CG 3.36Å; P240-R243 PolarHBondContact O-N 2.9Å
241	R	94.4	Very high	95.7	Very high	162 Å²	162	74.5 Å²	74.5	61%	0.611	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	142.6	177.3	-63.8	-170.9	175.2	165.8	-0.1	111.7	M236 D247	M236-R241 HydrophobicContact CE-CG 3.36Å; M236-R241 HydrophobicContact SD-CG 4.14Å; R241-D247 WeakPolarHBondContact CA-OD2 3.49Å
242	G	92.6	Very high	95.4	Very high	66 Å²	66	77.9 Å²	77.9	68%	0.68	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-1.5	-176.6	0	0	0	0	0	113.3	D247	G242-D247 PolarHBondContact N-OD2 3.46Å
243	R	94.3	Very high	95.3	Very high	178 Å²	178	72.9 Å²	72.9	67%	0.672	37%	0.368	S	S	*	.	S	Bend	trans	-81.9	-26.8	172.5	-70.2	-63.5	-171.5	-178.2	0.7	112.7	F239 P240 D247	F239-R243 HydrophobicContact CB-CB 4.46Å; F239-R243 HydrophobicContact CB-CG 4.44Å; P240-R243 WeakPolarHBondContact O-CB 3.23Å; P240-R243 VanDerWaalsContact O-CG 3.27Å; P240-R243 WeakPolarHBondContact O-CG 3.36Å; P240-R243 PolarHBondContact O-N 2.9Å; R243-D247 PolarHBondContact N-OD2 2.7Å
244	S	96.3	Very high	95.3	Very high	4 Å²	4	75.5 Å²	75.5	3%	0.028	38%	0.378	C	S	.	.	S	Bend	trans	-107.4	144	168.7	179.8	0	0	0	0	109.9	E209 W213 W246 D247	E209-S244 VanDerWaalsContact CD-OG 3.24Å; E209-S244 WeakPolarHBondContact OE1-CA 3.23Å; E209-S244 WeakPolarHBondContact OE1-CB 3.29Å; E209-S244 PolarHBondContact OE1-OG 3.45Å; E209-S244 PolarHBondContact OE2-OG 3.02Å; W213-S244 PolarHBondContact NE1-OG 2.99Å; S244-W246 PolarHBondContact O-N 3.36Å; S244-W246 PolarHBondContact OG-N 2.94Å; S244-D247 PolarHBondContact N-OD2 2.9Å; S244-D247 VanDerWaalsContact N-OD2 3.1Å; S244-D247 WeakPolarHBondContact O-CB 3.31Å; S244-D247 PolarHBondContact O-N 2.97Å
245	Y	96.4	Very high	95.4	Very high	21 Å²	21	73.3 Å²	73.3	8%	0.082	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-55.1	-39.5	171.7	178.9	-89.1	0	0	0	111.3	D176 M177 P178 D247 R248 Y249	D176-Y245 HydrophobicContact CB-CD2 4.32Å; D176-Y245 HydrophobicContact CB-CE2 4.44Å; D176-Y245 VanDerWaalsContact O-CD2 3.22Å; D176-Y245 WeakPolarHBondContact O-CD2 3.45Å; D176-Y245 WeakPolarHBondContact OD2-CE2 3.41Å; M177-Y245 HydrophobicContact CB-CE1 4.08Å; M177-Y245 HydrophobicContact CB-CE2 3.98Å; M177-Y245 HydrophobicContact CE-CE1 4.28Å; M177-Y245 WeakPolarHBondContact CE-OH 3.43Å; M177-Y245 HydrophobicContact CG-CD1 4.29Å; M177-Y245 HydrophobicContact CG-CE1 3.64Å; M177-Y245 HydrophobicContact CG-CE2 4.46Å; P178-Y245 VanDerWaalsContact CD-CG 3.48Å; P178-Y245 HydrophobicContact CG-CG 4.4Å; Y245-D247 PolarHBondContact O-N 3.04Å; Y245-R248 WeakPolarHBondContact O-CG 3.04Å; Y245-Y249 HydrophobicContact CD1-CE2 4.29Å; Y245-Y249 AromaticContact CE1-CE2 3.75Å; Y245-Y249 HydrophobicContact CE1-CE2 3.75Å
246	W	97.1	Very high	95.5	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-73.3	-7.9	-175.4	-54.3	111.4	0	0	0	113.9	M177 P178 L179 L206 Q207 L208 W213 S244 R248 Y249 L255 M263	M177-W246 HydrophobicContact CG-CH2 4.07Å; P178-W246 HydrophobicContact CG-CZ2 3.76Å; P178-W246 VanDerWaalsContact CG-NE1 3.34Å; P178-W246 WeakPolarHBondContact O-CZ2 3.22Å; L179-W246 HydrophobicContact CD2-CH2 4.11Å; L179-W246 HydrophobicContact CD2-CZ2 4.43Å; L206-W246 HydrophobicContact CB-CH2 4.05Å; L206-W246 HydrophobicContact CB-CZ2 3.72Å; L206-W246 HydrophobicContact CD1-CH2 4.18Å; L206-W246 HydrophobicContact CD1-CZ3 4.28Å; L206-W246 HydrophobicContact CD2-CH2 3.75Å; L206-W246 HydrophobicContact CD2-CZ2 4.24Å; L206-W246 HydrophobicContact CD2-CZ3 4.46Å; L206-W246 HydrophobicContact CG-CH2 4.21Å; L206-W246 HydrophobicContact CG-CZ2 4.38Å; Q207-W246 PolarHBondContact O-NE1 3.47Å; L208-W246 HydrophobicContact CD2-CD2 4.46Å; L208-W246 HydrophobicContact CD2-CG 3.92Å; W213-W246 HydrophobicContact CH2-CB 3.89Å; W213-W246 HydrophobicContact CZ2-CB 3.5Å; W213-W246 VanDerWaalsContact CZ2-CB 3.5Å; W213-W246 HydrophobicContact CZ2-CG 4.47Å; S244-W246 PolarHBondContact O-N 3.36Å; S244-W246 PolarHBondContact OG-N 2.94Å; W246-R248 PolarHBondContact O-N 2.93Å; W246-Y249 AromaticContact CE3-CD2 3.9Å; W246-Y249 HydrophobicContact CE3-CD2 3.9Å; W246-Y249 HydrophobicContact CE3-CE2 4.17Å; W246-Y249 HydrophobicContact CZ3-CD2 4.45Å; W246-Y249 HydrophobicContact CZ3-CE2 4.41Å; W246-Y249 PolarHBondContact O-N 2.88Å; W246-L255 HydrophobicContact CB-CD1 4.03Å; W246-L255 HydrophobicContact CB-CD2 4.45Å; W246-M263 HydrophobicContact CZ3-CE 4.23Å
247	D	97	Very high	95.6	Very high	15 Å²	15	66.4 Å²	66.4	8%	0.08	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-59.2	-20.7	175.1	-72.1	-27.7	0	0	0	112.4	R233 R241 G242 R243 S244 Y245 Y249 L250	R233-D247 WeakPolarHBondContact CD-OD1 3.26Å; R233-D247 IonicContact CZ-OD1 2.75Å; R233-D247 IonicContact NE-OD1 2.58Å; R233-D247 PolarHBondContact NE-OD1 2.94Å; R233-D247 IonicContact NE-OD2 2.69Å; R233-D247 IonicContact NH2-OD1 3.34Å; R233-D247 IonicContact NH2-OD2 3.14Å; R233-D247 PolarHBondContact NH2-OD2 2.78Å; R241-D247 WeakPolarHBondContact CA-OD2 3.49Å; G242-D247 PolarHBondContact N-OD2 3.46Å; R243-D247 PolarHBondContact N-OD2 2.7Å; S244-D247 PolarHBondContact N-OD2 2.9Å; S244-D247 VanDerWaalsContact N-OD2 3.1Å; S244-D247 WeakPolarHBondContact O-CB 3.31Å; S244-D247 PolarHBondContact O-N 2.97Å; Y245-D247 PolarHBondContact O-N 3.04Å; D247-Y249 VanDerWaalsContact C-N 3.25Å; D247-Y249 PolarHBondContact O-N 2.81Å; D247-L250 HydrophobicContact CB-CD1 4.2Å
248	R	95.7	Very high	95.7	Very high	149 Å²	149	61.3 Å²	61.3	56%	0.562	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-67.8	-21.4	176.3	-59.1	173.8	-171.3	174.4	7.5	113.6	D176 Y245 W246	D176-R248 IonicContact OD2-CZ 2.76Å; D176-R248 IonicContact OD2-NH1 3.03Å; D176-R248 PolarHBondContact OD2-NH1 3.07Å; D176-R248 IonicContact OD2-NH2 3.93Å; D176-R248 PolarHBondContact OD2-NH2 3.09Å; Y245-R248 WeakPolarHBondContact O-CG 3.04Å; W246-R248 PolarHBondContact O-N 2.93Å
249	Y	96.7	Very high	95.9	Very high	37 Å²	37	54.3 Å²	54.3	15%	0.145	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-115.2	24.9	-173.8	-49.3	-70.3	0	0	0	111.5	Y245 W246 D247 S256 T259 V260 M263	Y245-Y249 HydrophobicContact CD1-CE2 4.29Å; Y245-Y249 AromaticContact CE1-CE2 3.75Å; Y245-Y249 HydrophobicContact CE1-CE2 3.75Å; W246-Y249 AromaticContact CE3-CD2 3.9Å; W246-Y249 HydrophobicContact CE3-CD2 3.9Å; W246-Y249 HydrophobicContact CE3-CE2 4.17Å; W246-Y249 HydrophobicContact CZ3-CD2 4.45Å; W246-Y249 HydrophobicContact CZ3-CE2 4.41Å; W246-Y249 PolarHBondContact O-N 2.88Å; D247-Y249 VanDerWaalsContact C-N 3.25Å; D247-Y249 PolarHBondContact O-N 2.81Å; Y249-S256 PolarHBondContact O-N 3.16Å; Y249-S256 VanDerWaalsContact O-N 3.12Å; Y249-T259 WeakPolarHBondContact CB-OG1 3.02Å; Y249-T259 PolarHBondContact O-OG1 3.49Å; Y249-T259 VanDerWaalsContact O-OG1 3.1Å; Y249-V260 HydrophobicContact CG-CG2 4.31Å; Y249-M263 HydrophobicContact CD1-CB 4.21Å; Y249-M263 HydrophobicContact CE1-CB 3.57Å; Y249-M263 HydrophobicContact CE1-CG 3.64Å; Y249-M263 HydrophobicContact CE2-CE 4.45Å; Y249-M263 WeakPolarHBondContact OH-CG 3.34Å
250	L	96.3	Very high	95.9	Very high	28 Å²	28	50 Å²	50	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	133.4	175.9	-74.3	176.4	0	0	0	111.8	W213 R233 D247 Y254	W213-L250 HydrophobicContact CH2-CD2 3.65Å; W213-L250 HydrophobicContact CH2-CG 4.25Å; W213-L250 HydrophobicContact CZ3-CD2 3.65Å; R233-L250 HydrophobicContact CB-CD1 4.29Å; R233-L250 HydrophobicContact CB-CD2 3.92Å; R233-L250 HydrophobicContact CG-CD1 4.15Å; D247-L250 HydrophobicContact CB-CD1 4.2Å; L250-Y254 WeakPolarHBondContact CA-O 3.26Å; L250-Y254 VanDerWaalsContact CD2-C 3.48Å; L250-Y254 WeakPolarHBondContact CD2-O 3.44Å
251	V	96	Very high	96	Very high	58 Å²	58	47 Å²	47	35%	0.352	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115	169.8	178.2	0	0	0	0	107.7	G253 Y254 T259 N338	V251-G253 PolarHBondContact O-N 2.81Å; V251-Y254 PolarHBondContact N-O 2.75Å; V251-Y254 PolarHBondContact O-N 3.05Å; V251-Y254 VanDerWaalsContact O-N 3.16Å; V251-T259 HydrophobicContact CG2-CG2 3.75Å; V251-N338 VanDerWaalsContact CB-OD1 3.26Å; V251-N338 WeakPolarHBondContact CB-OD1 3.25Å; V251-N338 WeakPolarHBondContact CG1-OD1 3.49Å; V251-N338 PolarHBondContact O-ND2 2.91Å; V251-N338 VanDerWaalsContact O-ND2 3.09Å
252	G	92.9	Very high	96	Very high	72 Å²	72	42.8 Å²	42.8	74%	0.742	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	22.6	-179	0	0	0	0	0	115.1	Y254	G252-Y254 WeakPolarHBondContact O-CD2 3.45Å
253	G	95	Very high	96.1	Very high	21 Å²	21	40.3 Å²	40.3	22%	0.216	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	7	-178.1	0	0	0	0	0	114.9	R233 V251	R233-G253 WeakPolarHBondContact CB-O 3.32Å; R233-G253 PolarHBondContact N-O 3.02Å; V251-G253 PolarHBondContact O-N 2.81Å
254	Y	97.5	Very high	96.2	Very high	64 Å²	64	31.9 Å²	31.9	25%	0.251	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.6	173.9	-59.4	-89.6	0	0	0	110.4	I216 M230 V231 R232 L250 V251 G252 S256	I216-Y254 HydrophobicContact CD1-CE1 4.49Å; M230-Y254 HydrophobicContact CB-CD1 3.89Å; M230-Y254 HydrophobicContact CB-CE1 4.01Å; M230-Y254 HydrophobicContact CE-CD1 3.62Å; M230-Y254 HydrophobicContact CE-CD2 3.86Å; M230-Y254 HydrophobicContact CE-CE1 3.99Å; M230-Y254 HydrophobicContact CE-CE2 4.22Å; M230-Y254 HydrophobicContact CE-CG 3.54Å; V231-Y254 CarbonylContact O-C 3.58Å; V231-Y254 WeakPolarHBondContact O-CA 3.35Å; R232-Y254 HydrophobicContact CB-CD1 3.83Å; R232-Y254 HydrophobicContact CB-CE1 3.72Å; R232-Y254 HydrophobicContact CG-CD1 4.19Å; R232-Y254 HydrophobicContact CG-CE1 3.83Å; L250-Y254 WeakPolarHBondContact CA-O 3.26Å; L250-Y254 VanDerWaalsContact CD2-C 3.48Å; L250-Y254 WeakPolarHBondContact CD2-O 3.44Å; V251-Y254 PolarHBondContact N-O 2.75Å; V251-Y254 PolarHBondContact O-N 3.05Å; V251-Y254 VanDerWaalsContact O-N 3.16Å; G252-Y254 WeakPolarHBondContact O-CD2 3.45Å; Y254-S256 PolarHBondContact O-N 3.04Å
255	L	97.9	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	112.4	171.6	178.1	61.3	0	0	0	108.6	L208 W213 V231 W246 V260 W340	L208-L255 HydrophobicContact CD2-CD2 3.94Å; W213-L255 HydrophobicContact CE3-CB 4.27Å; W213-L255 HydrophobicContact CH2-CB 4.27Å; W213-L255 HydrophobicContact CZ3-CB 3.66Å; V231-L255 HydrophobicContact CB-CB 4.05Å; V231-L255 HydrophobicContact CG1-CB 3.94Å; V231-L255 HydrophobicContact CG1-CD2 4.18Å; V231-L255 PolarHBondContact O-N 3.39Å; W246-L255 HydrophobicContact CB-CD1 4.03Å; W246-L255 HydrophobicContact CB-CD2 4.45Å; L255-V260 HydrophobicContact CD1-CG2 3.81Å; L255-V260 HydrophobicContact CG-CG2 4.29Å; L255-W340 HydrophobicContact CD2-CZ2 3.99Å; L255-W340 HydrophobicContact CG-CZ2 4.06Å; L255-W340 PolarHBondContact O-NE1 2.6Å
256	S	97.4	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.			trans	-83.8	122.6	-175.8	157.9	0	0	0	0	111.6	Y249 Y254 E258 T259 V260 V337 N338	Y249-S256 PolarHBondContact O-N 3.16Å; Y249-S256 VanDerWaalsContact O-N 3.12Å; Y254-S256 PolarHBondContact O-N 3.04Å; S256-E258 VanDerWaalsContact C-N 3.27Å; S256-E258 PolarHBondContact O-N 3.36Å; S256-E258 PolarHBondContact OG-N 3.43Å; S256-T259 VanDerWaalsContact CB-OG1 3.24Å; S256-T259 WeakPolarHBondContact CB-OG1 3.43Å; S256-T259 PolarHBondContact O-N 3.25Å; S256-T259 PolarHBondContact O-OG1 3.42Å; S256-T259 PolarHBondContact OG-N 2.99Å; S256-T259 VanDerWaalsContact OG-N 3.08Å; S256-T259 PolarHBondContact OG-OG1 2.8Å; S256-V260 WeakPolarHBondContact O-CG2 3.49Å; S256-V260 PolarHBondContact O-N 2.89Å; S256-V260 VanDerWaalsContact O-N 3.09Å; S256-V337 WeakPolarHBondContact CB-O 3.47Å; S256-V337 WeakPolarHBondContact OG-CG1 3.4Å; S256-V337 PolarHBondContact OG-O 2.81Å; S256-N338 WeakPolarHBondContact CB-OD1 3.33Å
257	A	96.6	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-42.4	173.8	0	0	0	0	0	111.6	V260 V261 A328 A339 W340	A257-V260 PolarHBondContact O-N 3.4Å; A257-V261 WeakPolarHBondContact O-CG2 3.32Å; A257-V261 PolarHBondContact O-N 2.86Å; A257-A328 HydrophobicContact CB-CB 4Å; A257-A339 WeakPolarHBondContact CB-O 3.38Å; A257-W340 HydrophobicContact CB-CD2 3.95Å; A257-W340 HydrophobicContact CB-CG 4.07Å; A257-W340 HydrophobicContact CB-CZ2 4.3Å
258	E	95.9	Very high	95.7	Very high	71 Å²	71	38.3 Å²	38.3	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-44.9	178.6	-170.6	-177.9	149.5	0	0	112.2	S256 V260 V261 N262 P330 V337	S256-E258 VanDerWaalsContact C-N 3.27Å; S256-E258 PolarHBondContact O-N 3.36Å; S256-E258 PolarHBondContact OG-N 3.43Å; E258-V260 VanDerWaalsContact C-N 3.28Å; E258-V260 PolarHBondContact O-N 3.32Å; E258-V261 PolarHBondContact O-N 3.26Å; E258-N262 VanDerWaalsContact O-CB 3.32Å; E258-N262 WeakPolarHBondContact O-CB 3.42Å; E258-N262 PolarHBondContact O-N 3.15Å; E258-N262 PolarHBondContact O-ND2 2.96Å; E258-P330 HydrophobicContact CB-CB 4.48Å; E258-P330 HydrophobicContact CB-CG 4.31Å; E258-P330 HydrophobicContact CG-CB 4.45Å; E258-P330 HydrophobicContact CG-CG 4.47Å; E258-V337 HydrophobicContact CB-CG1 3.87Å; E258-V337 HydrophobicContact CG-CG1 4.45Å; E258-V337 PolarHBondContact N-O 2.75Å; E258-V337 WeakPolarHBondContact OE2-CG1 3.47Å; E258-V337 VanDerWaalsContact OE2-CG2 3.28Å; E258-V337 WeakPolarHBondContact OE2-CG2 3.25Å
259	T	96.6	Very high	95.6	Very high	35 Å²	35	31.5 Å²	31.5	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-33.8	177.6	60.2	0	0	0	0	112.7	Y249 V251 S256 M263	Y249-T259 WeakPolarHBondContact CB-OG1 3.02Å; Y249-T259 PolarHBondContact O-OG1 3.49Å; Y249-T259 VanDerWaalsContact O-OG1 3.1Å; V251-T259 HydrophobicContact CG2-CG2 3.75Å; S256-T259 VanDerWaalsContact CB-OG1 3.24Å; S256-T259 WeakPolarHBondContact CB-OG1 3.43Å; S256-T259 PolarHBondContact O-N 3.25Å; S256-T259 PolarHBondContact O-OG1 3.42Å; S256-T259 PolarHBondContact OG-N 2.99Å; S256-T259 VanDerWaalsContact OG-N 3.08Å; S256-T259 PolarHBondContact OG-OG1 2.8Å; T259-M263 WeakPolarHBondContact O-CB 3.39Å; T259-M263 PolarHBondContact O-N 3.36Å
260	V	96.4	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-45.5	174.3	170.9	0	0	0	0	110.9	L206 Y249 L255 S256 A257 E258 N262 M263 F264 P317 W340	L206-V260 HydrophobicContact CD1-CG1 3.88Å; Y249-V260 HydrophobicContact CG-CG2 4.31Å; L255-V260 HydrophobicContact CD1-CG2 3.81Å; L255-V260 HydrophobicContact CG-CG2 4.29Å; S256-V260 WeakPolarHBondContact O-CG2 3.49Å; S256-V260 PolarHBondContact O-N 2.89Å; S256-V260 VanDerWaalsContact O-N 3.09Å; A257-V260 PolarHBondContact O-N 3.4Å; E258-V260 VanDerWaalsContact C-N 3.28Å; E258-V260 PolarHBondContact O-N 3.32Å; V260-N262 PolarHBondContact O-N 3.03Å; V260-M263 WeakPolarHBondContact O-CB 3.36Å; V260-M263 PolarHBondContact O-N 3.37Å; V260-F264 HydrophobicContact CG1-CD2 3.93Å; V260-F264 HydrophobicContact CG1-CE2 3.79Å; V260-F264 WeakPolarHBondContact O-CD2 3.26Å; V260-F264 PolarHBondContact O-N 2.76Å; V260-P317 HydrophobicContact CG1-CB 4.2Å; V260-P317 HydrophobicContact CG1-CG 4.42Å; V260-W340 HydrophobicContact CG1-CH2 4.45Å; V260-W340 HydrophobicContact CG2-CZ2 4.33Å
261	V	96.1	Very high	95.2	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-44.7	175.7	167.6	0	0	0	0	111	A257 E258 M263 F264 S265 L294 P317 A328 P330	A257-V261 WeakPolarHBondContact O-CG2 3.32Å; A257-V261 PolarHBondContact O-N 2.86Å; E258-V261 PolarHBondContact O-N 3.26Å; V261-M263 PolarHBondContact O-N 3.1Å; V261-F264 PolarHBondContact O-N 2.8Å; V261-F264 VanDerWaalsContact O-N 3.15Å; V261-S265 WeakPolarHBondContact O-CB 3.25Å; V261-S265 PolarHBondContact O-N 3.48Å; V261-L294 HydrophobicContact CG1-CD1 4.36Å; V261-L294 HydrophobicContact CG1-CD2 4.23Å; V261-L294 HydrophobicContact CG1-CG 4.07Å; V261-P317 HydrophobicContact CG2-CG 4.38Å; V261-A328 HydrophobicContact CG2-CB 3.65Å; V261-P330 HydrophobicContact CB-CG 4.15Å; V261-P330 HydrophobicContact CG1-CG 4.3Å; V261-P330 HydrophobicContact CG2-CG 4.04Å
262	N	95.3	Very high	95.1	Very high	73 Å²	73	36.4 Å²	36.4	39%	0.39	21%	0.209	S	C	.	.	H	α-helix	trans	-61.3	-33.8	176.1	-74	-25	0	0	0	112.4	E258 V260 K266	E258-N262 VanDerWaalsContact O-CB 3.32Å; E258-N262 WeakPolarHBondContact O-CB 3.42Å; E258-N262 PolarHBondContact O-N 3.15Å; E258-N262 PolarHBondContact O-ND2 2.96Å; V260-N262 PolarHBondContact O-N 3.03Å; N262-K266 WeakPolarHBondContact O-CG 3.47Å; N262-K266 PolarHBondContact O-N 3.04Å; N262-K266 VanDerWaalsContact O-N 3.12Å
263	M	95.1	Very high	95.1	Very high	13 Å²	13	37.8 Å²	37.8	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-51.1	172.4	174.4	-85.3	-70.6	0	0	111.4	M177 W246 Y249 T259 V260 V261 S265 K266 V267	M177-M263 HydrophobicContact CE-CE 3.72Å; M177-M263 HydrophobicContact CE-SD 3.66Å; M177-M263 HydrophobicContact SD-CE 4.33Å; W246-M263 HydrophobicContact CZ3-CE 4.23Å; Y249-M263 HydrophobicContact CD1-CB 4.21Å; Y249-M263 HydrophobicContact CE1-CB 3.57Å; Y249-M263 HydrophobicContact CE1-CG 3.64Å; Y249-M263 HydrophobicContact CE2-CE 4.45Å; Y249-M263 WeakPolarHBondContact OH-CG 3.34Å; T259-M263 WeakPolarHBondContact O-CB 3.39Å; T259-M263 PolarHBondContact O-N 3.36Å; V260-M263 WeakPolarHBondContact O-CB 3.36Å; V260-M263 PolarHBondContact O-N 3.37Å; V261-M263 PolarHBondContact O-N 3.1Å; M263-S265 VanDerWaalsContact C-N 3.27Å; M263-S265 PolarHBondContact O-N 3.45Å; M263-K266 PolarHBondContact O-N 3.46Å; M263-V267 HydrophobicContact CG-CG2 4.26Å; M263-V267 WeakPolarHBondContact O-CB 3.39Å; M263-V267 WeakPolarHBondContact O-CG2 3.5Å; M263-V267 PolarHBondContact O-N 3.33Å; M263-V267 HydrophobicContact SD-CB 4.45Å; M263-V267 HydrophobicContact SD-CG2 4.06Å
264	F	95.9	Very high	95.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-34.7	178.4	-80.4	-69.2	0	0	0	112.2	L170 M177 L179 V204 L206 V260 V261 V268 L294 P317	L170-F264 HydrophobicContact CD1-CE1 4.09Å; L170-F264 HydrophobicContact CD2-CE1 4.43Å; M177-F264 HydrophobicContact SD-CE1 4.24Å; M177-F264 HydrophobicContact SD-CZ 4.22Å; L179-F264 HydrophobicContact CD2-CZ 4.18Å; V204-F264 HydrophobicContact CG1-CE1 3.97Å; V204-F264 HydrophobicContact CG1-CE2 4.47Å; V204-F264 HydrophobicContact CG1-CZ 3.69Å; L206-F264 HydrophobicContact CD2-CE2 3.9Å; L206-F264 HydrophobicContact CD2-CZ 3.89Å; V260-F264 HydrophobicContact CG1-CD2 3.93Å; V260-F264 HydrophobicContact CG1-CE2 3.79Å; V260-F264 WeakPolarHBondContact O-CD2 3.26Å; V260-F264 PolarHBondContact O-N 2.76Å; V261-F264 PolarHBondContact O-N 2.8Å; V261-F264 VanDerWaalsContact O-N 3.15Å; F264-V268 HydrophobicContact CD1-CG2 4.14Å; F264-V268 WeakPolarHBondContact O-CA 3.2Å; F264-V268 VanDerWaalsContact O-CB 3.29Å; F264-V268 WeakPolarHBondContact O-CB 3.13Å; F264-V268 PolarHBondContact O-N 2.76Å; F264-L294 HydrophobicContact CB-CD1 3.53Å; F264-L294 HydrophobicContact CB-CD2 4.17Å; F264-L294 HydrophobicContact CG-CD1 4.32Å; F264-P317 HydrophobicContact CD2-CB 4.41Å; F264-P317 HydrophobicContact CD2-CG 3.69Å; F264-P317 HydrophobicContact CE2-CB 4.12Å; F264-P317 HydrophobicContact CE2-CG 3.88Å
265	S	95.3	Very high	94.8	Very high	31 Å²	31	39 Å²	39	22%	0.217	21%	0.21	C	C	.	.	I	π-helix	trans	-59.2	-51.9	174.5	-172.8	0	0	0	0	110.6	V261 M263 M269 E270 L294	V261-S265 WeakPolarHBondContact O-CB 3.25Å; V261-S265 PolarHBondContact O-N 3.48Å; M263-S265 VanDerWaalsContact C-N 3.27Å; M263-S265 PolarHBondContact O-N 3.45Å; S265-M269 VanDerWaalsContact O-CA 3.31Å; S265-M269 WeakPolarHBondContact O-CA 3.46Å; S265-M269 WeakPolarHBondContact O-CB 3.5Å; S265-M269 PolarHBondContact O-N 3.07Å; S265-E270 PolarHBondContact O-N 3.09Å; S265-E270 VanDerWaalsContact O-N 3.1Å; S265-L294 VanDerWaalsContact CA-CD2 3.49Å
266	K	93.7	Very high	94.5	Very high	125 Å²	125	41.7 Å²	41.7	54%	0.543	23%	0.229	S	C	.	.	I	π-helix	trans	-63	-49.7	177.5	-70	174.6	-178.3	-179.8	0	112.3	N262 M263 E270 T271	N262-K266 WeakPolarHBondContact O-CG 3.47Å; N262-K266 PolarHBondContact O-N 3.04Å; N262-K266 VanDerWaalsContact O-N 3.12Å; M263-K266 PolarHBondContact O-N 3.46Å; K266-E270 WeakPolarHBondContact O-CB 3.37Å; K266-T271 WeakPolarHBondContact O-CG2 3.38Å; K266-T271 PolarHBondContact O-N 2.85Å
267	V	93.7	Very high	94.3	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.115	23%	0.232	C	C	.	.	I	π-helix	trans	-68.6	-51.4	-174	168.7	0	0	0	0	111.1	F169 L170 H174 M263 T271	F169-V267 HydrophobicContact CE1-CG1 3.91Å; F169-V267 WeakPolarHBondContact CE1-O 3.42Å; L170-V267 HydrophobicContact CD2-CG1 3.71Å; H174-V267 WeakPolarHBondContact NE2-CG1 3.43Å; M263-V267 HydrophobicContact CG-CG2 4.26Å; M263-V267 WeakPolarHBondContact O-CB 3.39Å; M263-V267 WeakPolarHBondContact O-CG2 3.5Å; M263-V267 PolarHBondContact O-N 3.33Å; M263-V267 HydrophobicContact SD-CB 4.45Å; M263-V267 HydrophobicContact SD-CG2 4.06Å; V267-T271 PolarHBondContact O-OG1 3.47Å
268	V	93.9	Very high	94.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.238	C	C	.	.	I	π-helix	trans	-90.5	-50.8	-172.3	-178.7	0	0	0	0	110.8	I166 L170 F264 A272 W274 M315	I166-V268 HydrophobicContact CG1-CG1 4.4Å; I166-V268 HydrophobicContact CG2-CG1 4.04Å; I166-V268 HydrophobicContact CG2-CG2 4.41Å; L170-V268 HydrophobicContact CD1-CG2 4.35Å; L170-V268 HydrophobicContact CD2-CG2 3.79Å; L170-V268 HydrophobicContact CG-CG2 4.25Å; F264-V268 HydrophobicContact CD1-CG2 4.14Å; F264-V268 WeakPolarHBondContact O-CA 3.2Å; F264-V268 VanDerWaalsContact O-CB 3.29Å; F264-V268 WeakPolarHBondContact O-CB 3.13Å; F264-V268 PolarHBondContact O-N 2.76Å; V268-A272 WeakPolarHBondContact O-CB 3.45Å; V268-W274 HydrophobicContact CG1-CH2 3.91Å; V268-W274 HydrophobicContact CG1-CZ2 3.68Å; V268-W274 WeakPolarHBondContact O-CZ2 3.45Å; V268-W274 PolarHBondContact O-NE1 2.81Å; V268-M315 HydrophobicContact CB-CE 4.49Å; V268-M315 HydrophobicContact CB-SD 4.47Å; V268-M315 HydrophobicContact CG1-CE 4.07Å; V268-M315 HydrophobicContact CG1-SD 3.7Å; V268-M315 HydrophobicContact CG2-CE 4.24Å
269	M	93.9	Very high	93.8	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.03	25%	0.248	C	C	.	.	I	π-helix	trans	-72.9	-41.1	-173.3	-54.3	-61.2	160.3	0	0	112.3	S265 W274 P287 L289 L294 L296 M315	S265-M269 VanDerWaalsContact O-CA 3.31Å; S265-M269 WeakPolarHBondContact O-CA 3.46Å; S265-M269 WeakPolarHBondContact O-CB 3.5Å; S265-M269 PolarHBondContact O-N 3.07Å; M269-W274 PolarHBondContact O-NE1 3.33Å; M269-W274 VanDerWaalsContact O-NE1 3.11Å; M269-W274 HydrophobicContact SD-CZ2 4.37Å; M269-P287 HydrophobicContact CB-CB 3.94Å; M269-P287 HydrophobicContact CG-CB 4.44Å; M269-P287 WeakPolarHBondContact O-CG 3.49Å; M269-P287 HydrophobicContact SD-CB 3.76Å; M269-L289 HydrophobicContact CB-CD2 4.05Å; M269-L294 HydrophobicContact CE-CB 3.82Å; M269-L294 HydrophobicContact CE-CD2 4.47Å; M269-L294 HydrophobicContact CG-CD2 4.25Å; M269-L296 HydrophobicContact CE-CD2 4.01Å; M269-L296 HydrophobicContact CE-CG 4.26Å; M269-L296 HydrophobicContact SD-CD2 3.5Å; M269-L296 WeakPolarHBondContact SD-CD2 3.35Å; M269-L296 HydrophobicContact SD-CG 4.35Å; M269-M315 HydrophobicContact CE-CG 4.19Å; M269-M315 HydrophobicContact CE-SD 3.44Å; M269-M315 WeakPolarHBondContact CE-SD 3.42Å
270	E	93.1	Very high	93.6	Very high	123 Å²	123	45.9 Å²	45.9	58%	0.575	26%	0.262	S	S	*	.	I	π-helix	trans	-92.6	-33.2	-174.3	-60	175.5	-168	0	0	114.3	S265 K266 L289	S265-E270 PolarHBondContact O-N 3.09Å; S265-E270 VanDerWaalsContact O-N 3.1Å; K266-E270 WeakPolarHBondContact O-CB 3.37Å; E270-L289 HydrophobicContact CG-CD2 4.45Å
271	T	92.1	Very high	93.3	Very high	92 Å²	92	47.4 Å²	47.4	56%	0.564	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-12.9	-172	74.2	0	0	0	0	116	K266 V267	K266-T271 WeakPolarHBondContact O-CG2 3.38Å; K266-T271 PolarHBondContact O-N 2.85Å; V267-T271 PolarHBondContact O-OG1 3.47Å
272	A	92.9	Very high	92.9	Very high	11 Å²	11	52.9 Å²	52.9	9%	0.091	30%	0.299	C	S	.	.	S	Bend	trans	-68.8	145.8	175.5	0	0	0	0	0	111.3	F169 V268 W274	F169-A272 HydrophobicContact CD1-CB 4.45Å; F169-A272 HydrophobicContact CE1-CB 4.22Å; F169-A272 HydrophobicContact CE2-CB 4.38Å; F169-A272 HydrophobicContact CZ-CB 4.18Å; V268-A272 WeakPolarHBondContact O-CB 3.45Å; A272-W274 HydrophobicContact CB-CD2 4.25Å; A272-W274 HydrophobicContact CB-CZ2 3.96Å; A272-W274 PolarHBondContact O-N 2.84Å
273	N	92.8	Very high	92.7	Very high	101 Å²	101	49.8 Å²	49.8	54%	0.54	28%	0.284	S	S	.	.			trans	-82.9	69.5	177.5	-170.6	-2.8	0	0	0	110.6	P275 S276 I277	N273-P275 VanDerWaalsContact C-CD 3.42Å; N273-P275 VanDerWaalsContact C-N 3.3Å; N273-P275 WeakPolarHBondContact OD1-CD 3.41Å; N273-S276 VanDerWaalsContact CG-CB 3.49Å; N273-S276 WeakPolarHBondContact ND2-CB 3.31Å; N273-S276 WeakPolarHBondContact O-CB 3.34Å; N273-S276 PolarHBondContact O-N 3.06Å; N273-S276 PolarHBondContact OD1-N 3.41Å; N273-I277 PolarHBondContact O-N 3.38Å; N273-I277 VanDerWaalsContact O-N 3.11Å
274	W	94.2	Very high	92.5	Very high	13 Å²	13	53.9 Å²	53.9	5%	0.049	30%	0.302	C	S	.	.	H	α-helix	trans	-54.4	-35.7	179.9	-62	113.1	0	0	0	114.7	I166 V268 M269 A272 S276 I277 S278 V285 P287 L296	I166-W274 HydrophobicContact CD1-CH2 3.94Å; I166-W274 HydrophobicContact CD1-CZ3 4.45Å; I166-W274 HydrophobicContact CG1-CH2 3.87Å; I166-W274 HydrophobicContact CG1-CZ3 4.27Å; V268-W274 HydrophobicContact CG1-CH2 3.91Å; V268-W274 HydrophobicContact CG1-CZ2 3.68Å; V268-W274 WeakPolarHBondContact O-CZ2 3.45Å; V268-W274 PolarHBondContact O-NE1 2.81Å; M269-W274 PolarHBondContact O-NE1 3.33Å; M269-W274 VanDerWaalsContact O-NE1 3.11Å; M269-W274 HydrophobicContact SD-CZ2 4.37Å; A272-W274 HydrophobicContact CB-CD2 4.25Å; A272-W274 HydrophobicContact CB-CZ2 3.96Å; A272-W274 PolarHBondContact O-N 2.84Å; W274-S276 VanDerWaalsContact C-N 3.33Å; W274-S276 PolarHBondContact O-N 3.4Å; W274-I277 HydrophobicContact CE3-CB 4.46Å; W274-I277 HydrophobicContact CE3-CD1 3.74Å; W274-I277 HydrophobicContact CE3-CG2 4.49Å; W274-I277 HydrophobicContact CZ3-CD1 3.85Å; W274-I277 PolarHBondContact O-N 2.94Å; W274-S278 VanDerWaalsContact O-CB 3.28Å; W274-S278 WeakPolarHBondContact O-CB 3.43Å; W274-S278 PolarHBondContact O-N 3.14Å; W274-S278 PolarHBondContact O-OG 2.81Å; W274-V285 HydrophobicContact CE3-CB 4.49Å; W274-V285 HydrophobicContact CE3-CG1 3.73Å; W274-V285 HydrophobicContact CZ3-CG1 3.99Å; W274-P287 HydrophobicContact CG-CG 4.41Å; W274-L296 HydrophobicContact CH2-CD1 3.7Å; W274-L296 HydrophobicContact CH2-CD2 3.72Å; W274-L296 HydrophobicContact CH2-CG 4.37Å; W274-L296 HydrophobicContact CZ2-CD1 4.47Å; W274-L296 HydrophobicContact CZ2-CD2 3.67Å; W274-L296 HydrophobicContact CZ3-CD1 3.96Å; W274-L296 HydrophobicContact CZ3-CD2 4.23Å
275	P	92.8	Very high	92.5	Very high	97 Å²	97	54 Å²	54	63%	0.63	30%	0.304	S	S	*	.	H	α-helix	trans	-59.4	-40.3	172.1	-27.3	36	0	0	0	113.6	N273 S278 S279	N273-P275 VanDerWaalsContact C-CD 3.42Å; N273-P275 VanDerWaalsContact C-N 3.3Å; N273-P275 WeakPolarHBondContact OD1-CD 3.41Å; P275-S278 WeakPolarHBondContact O-CB 3.21Å; P275-S278 PolarHBondContact O-N 2.48Å; P275-S279 PolarHBondContact O-N 2.91Å; P275-S279 PolarHBondContact O-OG 3.24Å
276	S	92	Very high	92.4	Very high	56 Å²	56	56 Å²	56	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-38	177.4	-173.2	0	0	0	0	112.5	N273 W274 S278 S279 T280	N273-S276 VanDerWaalsContact CG-CB 3.49Å; N273-S276 WeakPolarHBondContact ND2-CB 3.31Å; N273-S276 WeakPolarHBondContact O-CB 3.34Å; N273-S276 PolarHBondContact O-N 3.06Å; N273-S276 PolarHBondContact OD1-N 3.41Å; W274-S276 VanDerWaalsContact C-N 3.33Å; W274-S276 PolarHBondContact O-N 3.4Å; S276-S278 VanDerWaalsContact C-N 3.34Å; S276-S279 WeakPolarHBondContact CA-OG 3.36Å; S276-S279 PolarHBondContact O-OG 3.1Å; S276-T280 PolarHBondContact O-N 3.34Å; S276-T280 VanDerWaalsContact O-N 3.16Å; S276-T280 PolarHBondContact O-OG1 3.27Å
277	I	91.8	Very high	92.4	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-44.1	174.3	-65.9	169.5	0	0	0	109.2	E165 N273 W274 S279 T280 L281	E165-I277 HydrophobicContact CB-CD1 4.5Å; E165-I277 HydrophobicContact CB-CG2 4.29Å; E165-I277 HydrophobicContact CG-CG2 4.27Å; N273-I277 PolarHBondContact O-N 3.38Å; N273-I277 VanDerWaalsContact O-N 3.11Å; W274-I277 HydrophobicContact CE3-CB 4.46Å; W274-I277 HydrophobicContact CE3-CD1 3.74Å; W274-I277 HydrophobicContact CE3-CG2 4.49Å; W274-I277 HydrophobicContact CZ3-CD1 3.85Å; W274-I277 PolarHBondContact O-N 2.94Å; I277-S279 PolarHBondContact O-N 2.91Å; I277-T280 WeakPolarHBondContact O-CB 3.24Å; I277-T280 PolarHBondContact O-N 2.88Å; I277-L281 HydrophobicContact CG2-CD1 3.72Å; I277-L281 HydrophobicContact CG2-CG 4.32Å; I277-L281 WeakPolarHBondContact O-CG 3.49Å; I277-L281 PolarHBondContact O-N 3.2Å
278	S	92.9	Very high	92.4	Very high	18 Å²	18	53 Å²	53	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-46	177.7	-62.9	0	0	0	0	112.1	W274 P275 S276 T280 L281 D282 C283 V285	W274-S278 VanDerWaalsContact O-CB 3.28Å; W274-S278 WeakPolarHBondContact O-CB 3.43Å; W274-S278 PolarHBondContact O-N 3.14Å; W274-S278 PolarHBondContact O-OG 2.81Å; P275-S278 WeakPolarHBondContact O-CB 3.21Å; P275-S278 PolarHBondContact O-N 2.48Å; S276-S278 VanDerWaalsContact C-N 3.34Å; S278-T280 VanDerWaalsContact C-N 3.25Å; S278-T280 PolarHBondContact O-N 3.33Å; S278-L281 PolarHBondContact O-N 2.86Å; S278-D282 PolarHBondContact O-N 3.46Å; S278-D282 VanDerWaalsContact O-N 3.12Å; S278-C283 CarbonylContact C-O 3.54Å; S278-C283 WeakPolarHBondContact CA-O 3.26Å; S278-C283 WeakPolarHBondContact CB-O 3.35Å; S278-C283 PolarHBondContact O-N 2.81Å; S278-C283 VanDerWaalsContact O-O 3.1Å; S278-C283 PolarHBondContact OG-O 2.84Å; S278-V285 PolarHBondContact OG-N 3.38Å; S278-V285 PolarHBondContact OG-O 3.3Å
279	S	90.5	Very high	92.2	Very high	77 Å²	77	58.2 Å²	58.2	54%	0.538	33%	0.326	S	S	.	.	H	α-helix	trans	-69.3	-21.1	176.8	59.9	0	0	0	0	114.2	P275 S276 I277	P275-S279 PolarHBondContact O-N 2.91Å; P275-S279 PolarHBondContact O-OG 3.24Å; S276-S279 WeakPolarHBondContact CA-OG 3.36Å; S276-S279 PolarHBondContact O-OG 3.1Å; I277-S279 PolarHBondContact O-N 2.91Å
280	T	91.1	Very high	91.4	Very high	84 Å²	84	62.4 Å²	62.4	52%	0.515	37%	0.371	S	S	.	.	H	α-helix	trans	-83.1	-32.6	178.2	-56.2	0	0	0	0	111	S276 I277 S278	S276-T280 PolarHBondContact O-N 3.34Å; S276-T280 VanDerWaalsContact O-N 3.16Å; S276-T280 PolarHBondContact O-OG1 3.27Å; I277-T280 WeakPolarHBondContact O-CB 3.24Å; I277-T280 PolarHBondContact O-N 2.88Å; S278-T280 VanDerWaalsContact C-N 3.25Å; S278-T280 PolarHBondContact O-N 3.33Å
281	L	89.3	Confident	90.8	Very high	33 Å²	33	58.6 Å²	58.6	17%	0.173	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6.1	-176.6	-60.2	-179.6	0	0	0	113.4	D161 I162 I277 S278 C283	D161-L281 HydrophobicContact CB-CD2 3.79Å; I162-L281 HydrophobicContact CD1-CD1 4.5Å; I162-L281 HydrophobicContact CG1-CD1 3.55Å; I277-L281 HydrophobicContact CG2-CD1 3.72Å; I277-L281 HydrophobicContact CG2-CG 4.32Å; I277-L281 WeakPolarHBondContact O-CG 3.49Å; I277-L281 PolarHBondContact O-N 3.2Å; S278-L281 PolarHBondContact O-N 2.86Å; L281-C283 VanDerWaalsContact CB-SG 3.55Å; L281-C283 PolarHBondContact O-N 3.01Å; L281-C283 VanDerWaalsContact O-N 3.09Å
282	D	89.2	Confident	90.3	Very high	121 Å²	121	57.9 Å²	57.9	65%	0.647	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	38.9	-175.8	-62.7	-27.6	0	0	0	113.1	S278	S278-D282 PolarHBondContact O-N 3.46Å; S278-D282 VanDerWaalsContact O-N 3.12Å
283	C	89.7	Confident	90.1	Very high	9 Å²	9	60.2 Å²	60.2	6%	0.061	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151	179.5	64.7	0	0	0	0	111.7	S278 L281 V285 I298	S278-C283 CarbonylContact C-O 3.54Å; S278-C283 WeakPolarHBondContact CA-O 3.26Å; S278-C283 WeakPolarHBondContact CB-O 3.35Å; S278-C283 PolarHBondContact O-N 2.81Å; S278-C283 VanDerWaalsContact O-O 3.1Å; S278-C283 PolarHBondContact OG-O 2.84Å; L281-C283 VanDerWaalsContact CB-SG 3.55Å; L281-C283 PolarHBondContact O-N 3.01Å; L281-C283 VanDerWaalsContact O-N 3.09Å; C283-V285 PolarHBondContact O-N 2.88Å; C283-I298 HydrophobicContact CB-CG2 4.2Å
284	Q	92.4	Very high	90.2	Very high	98 Å²	98	55.7 Å²	55.7	46%	0.458	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	105.4	175.4	-177.5	179.2	61.5	0	0	109.7	I298 R299	Q284-I298 WeakPolarHBondContact O-CA 3.43Å; Q284-R299 HydrophobicContact CB-CB 4.31Å; Q284-R299 PolarHBondContact N-O 3.23Å; Q284-R299 PolarHBondContact O-N 3.07Å
285	V	94.3	Very high	90.3	Very high	5 Å²	5	59 Å²	59	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125	173	-174.9	0	0	0	0	109.1	I162 W274 S278 C283 L296 I298	I162-V285 HydrophobicContact CD1-CG2 4.04Å; I162-V285 HydrophobicContact CG1-CG2 4.49Å; W274-V285 HydrophobicContact CE3-CB 4.49Å; W274-V285 HydrophobicContact CE3-CG1 3.73Å; W274-V285 HydrophobicContact CZ3-CG1 3.99Å; S278-V285 PolarHBondContact OG-N 3.38Å; S278-V285 PolarHBondContact OG-O 3.3Å; C283-V285 PolarHBondContact O-N 2.88Å; V285-L296 HydrophobicContact CG1-CD1 4.39Å; V285-I298 HydrophobicContact CG1-CG1 4.42Å; V285-I298 HydrophobicContact CG2-CG1 4.33Å; V285-I298 HydrophobicContact CG2-CG2 4.36Å
286	R	93.4	Very high	90.5	Very high	71 Å²	71	54.4 Å²	54.4	27%	0.268	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.6	175.9	55.9	-177.9	166	82.8	2	113.5	L296 E297	R286-L296 CarbonylContact O-C 3.48Å; R286-L296 WeakPolarHBondContact O-CA 3.49Å; R286-E297 HydrophobicContact CG-CB 4.12Å; R286-E297 WeakPolarHBondContact CG-O 3.44Å; R286-E297 IonicContact CZ-OE1 3.77Å; R286-E297 IonicContact CZ-OE2 2.66Å; R286-E297 PolarHBondContact N-O 3.2Å; R286-E297 VanDerWaalsContact NH1-CD 3.31Å; R286-E297 IonicContact NH1-OE1 3.34Å; R286-E297 IonicContact NH1-OE2 3.54Å; R286-E297 PolarHBondContact NH1-OE2 2.9Å; R286-E297 IonicContact NH2-OE1 3.61Å; R286-E297 PolarHBondContact NH2-OE1 3.35Å; R286-E297 IonicContact NH2-OE2 3.05Å; R286-E297 PolarHBondContact NH2-OE2 3.42Å; R286-E297 PolarHBondContact O-N 2.87Å
287	P	94.9	Very high	90.6	Very high	29 Å²	29	52.6 Å²	52.6	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139.7	172.9	31.2	-35.6	0	0	0	110.9	M269 W274 L289 L296	M269-P287 HydrophobicContact CB-CB 3.94Å; M269-P287 HydrophobicContact CG-CB 4.44Å; M269-P287 WeakPolarHBondContact O-CG 3.49Å; M269-P287 HydrophobicContact SD-CB 3.76Å; W274-P287 HydrophobicContact CG-CG 4.41Å; P287-L289 HydrophobicContact CB-CD2 4.08Å; P287-L289 HydrophobicContact CG-CD2 4.24Å; P287-L289 PolarHBondContact O-N 3.1Å; P287-L296 HydrophobicContact CB-CD2 4.02Å
288	V	93.1	Very high	90.7	Very high	54 Å²	54	52 Å²	52	33%	0.327	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	104.7	170.9	-176.7	0	0	0	0	107.4	R295 E297	V288-R295 HydrophobicContact CB-CB 4.25Å; V288-R295 WeakPolarHBondContact CB-O 3.38Å; V288-R295 HydrophobicContact CG2-CB 4.38Å; V288-R295 HydrophobicContact CG2-CG 4.41Å; V288-R295 PolarHBondContact N-O 3.4Å; V288-E297 HydrophobicContact CG2-CB 4.21Å
289	L	89.1	Confident	90.6	Very high	109 Å²	109	56.4 Å²	56.4	57%	0.571	33%	0.325	S	S	*	.			trans	-89.6	152.3	-176.3	-57.3	178.3	0	0	0	111.9	M269 E270 P287	M269-L289 HydrophobicContact CB-CD2 4.05Å; E270-L289 HydrophobicContact CG-CD2 4.45Å; P287-L289 HydrophobicContact CB-CD2 4.08Å; P287-L289 HydrophobicContact CG-CD2 4.24Å; P287-L289 PolarHBondContact O-N 3.1Å
290	G	78.8	Confident	90.1	Very high	94 Å²	94	55.3 Å²	55.3	97%	0.969	32%	0.317	S	S	*	.	S	Bend	trans	87.2	1.4	171.8	0	0	0	0	0	116.2
291	G	79.7	Confident	89.1	Confident	43 Å²	43	57.9 Å²	57.9	44%	0.443	32%	0.322	S	S	.	.	S	Bend	trans	-99.7	165.9	171.7	0	0	0	0	0	113.3	E293	G291-E293 PolarHBondContact O-N 3.34Å
292	P	81.8	Confident	87.9	Confident	77 Å²	77	60 Å²	60	50%	0.5	34%	0.341	S	S	.	.	S	Bend	trans	-74.3	-14.8	173.7	31.9	-35.3	0	0	0	113	E331	P292-E331 HydrophobicContact CG-CB 4.35Å
293	E	88.6	Confident	86.1	Confident	60 Å²	60	63.3 Å²	63.3	28%	0.28	35%	0.352	S	S	.	.	S	Bend	trans	-94.2	142.1	-179.1	-65.9	-174.8	-136.3	0	0	112.7	G291 R295 E331	G291-E293 PolarHBondContact O-N 3.34Å; E293-R295 PolarHBondContact O-N 3.49Å; E293-R295 VanDerWaalsContact O-N 3.13Å; E293-R295 IonicContact OE1-CZ 3.69Å; E293-R295 IonicContact OE1-NH2 3.67Å; E293-R295 PolarHBondContact OE1-NH2 2.92Å; E293-R295 IonicContact OE2-CZ 3.98Å; E293-R295 IonicContact OE2-NE 2.82Å; E293-R295 PolarHBondContact OE2-NE 2.92Å; E293-R295 IonicContact OE2-NH2 3.65Å; E293-R295 PolarHBondContact OE2-NH2 3.44Å; E293-E331 WeakPolarHBondContact CG-OE2 3.45Å
294	L	95.3	Very high	84.2	Confident	7 Å²	7	67 Å²	67	4%	0.037	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	84.3	171.6	-59.9	173.1	0	0	0	109.5	V261 F264 S265 M269 S314 M315 P317	V261-L294 HydrophobicContact CG1-CD1 4.36Å; V261-L294 HydrophobicContact CG1-CD2 4.23Å; V261-L294 HydrophobicContact CG1-CG 4.07Å; F264-L294 HydrophobicContact CB-CD1 3.53Å; F264-L294 HydrophobicContact CB-CD2 4.17Å; F264-L294 HydrophobicContact CG-CD1 4.32Å; S265-L294 VanDerWaalsContact CA-CD2 3.49Å; M269-L294 HydrophobicContact CE-CB 3.82Å; M269-L294 HydrophobicContact CE-CD2 4.47Å; M269-L294 HydrophobicContact CG-CD2 4.25Å; L294-S314 CarbonylContact O-C 3.52Å; L294-S314 WeakPolarHBondContact O-CA 3.28Å; L294-M315 HydrophobicContact CB-CB 3.88Å; L294-M315 HydrophobicContact CD1-CB 4.4Å; L294-M315 PolarHBondContact O-N 3.01Å; L294-P317 HydrophobicContact CD1-CG 4.2Å
295	R	96	Very high	82.1	Confident	82 Å²	82	67.7 Å²	67.7	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.7	-171.7	-164	-176.1	-70.1	-176.2	-5.8	112.4	V288 E293 F312 I313	V288-R295 HydrophobicContact CB-CB 4.25Å; V288-R295 WeakPolarHBondContact CB-O 3.38Å; V288-R295 HydrophobicContact CG2-CB 4.38Å; V288-R295 HydrophobicContact CG2-CG 4.41Å; V288-R295 PolarHBondContact N-O 3.4Å; E293-R295 PolarHBondContact O-N 3.49Å; E293-R295 VanDerWaalsContact O-N 3.13Å; E293-R295 IonicContact OE1-CZ 3.69Å; E293-R295 IonicContact OE1-NH2 3.67Å; E293-R295 PolarHBondContact OE1-NH2 2.92Å; E293-R295 IonicContact OE2-CZ 3.98Å; E293-R295 IonicContact OE2-NE 2.82Å; E293-R295 PolarHBondContact OE2-NE 2.92Å; E293-R295 IonicContact OE2-NH2 3.65Å; E293-R295 PolarHBondContact OE2-NH2 3.44Å; R295-F312 HydrophobicContact CG-CB 4.41Å; R295-F312 HydrophobicContact CG-CD1 4.15Å; R295-I313 CarbonylContact C-O 3.41Å; R295-I313 WeakPolarHBondContact CA-O 3.44Å
296	L	96.1	Very high	79.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.5	170.8	-57.3	175	0	0	0	109.2	I162 I166 M269 W274 V285 R286 P287 I298 F312 I313	I162-L296 HydrophobicContact CG2-CD1 3.86Å; I166-L296 HydrophobicContact CD1-CD1 3.87Å; M269-L296 HydrophobicContact CE-CD2 4.01Å; M269-L296 HydrophobicContact CE-CG 4.26Å; M269-L296 HydrophobicContact SD-CD2 3.5Å; M269-L296 WeakPolarHBondContact SD-CD2 3.35Å; M269-L296 HydrophobicContact SD-CG 4.35Å; W274-L296 HydrophobicContact CH2-CD1 3.7Å; W274-L296 HydrophobicContact CH2-CD2 3.72Å; W274-L296 HydrophobicContact CH2-CG 4.37Å; W274-L296 HydrophobicContact CZ2-CD1 4.47Å; W274-L296 HydrophobicContact CZ2-CD2 3.67Å; W274-L296 HydrophobicContact CZ3-CD1 3.96Å; W274-L296 HydrophobicContact CZ3-CD2 4.23Å; V285-L296 HydrophobicContact CG1-CD1 4.39Å; R286-L296 CarbonylContact O-C 3.48Å; R286-L296 WeakPolarHBondContact O-CA 3.49Å; P287-L296 HydrophobicContact CB-CD2 4.02Å; L296-I298 HydrophobicContact CB-CD1 4.09Å; L296-F312 CarbonylContact O-C 3.56Å; L296-F312 VanDerWaalsContact O-CA 3.3Å; L296-F312 WeakPolarHBondContact O-CA 3.37Å; L296-I313 HydrophobicContact CB-CB 4.34Å; L296-I313 PolarHBondContact N-O 3.37Å; L296-I313 PolarHBondContact O-N 3.23Å
297	E	95.4	Very high	77.7	Confident	18 Å²	18	74.7 Å²	74.7	8%	0.084	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.9	167.5	-169.9	174	157.2	0	0	109.3	R286 V288 R299 P310 F312	R286-E297 HydrophobicContact CG-CB 4.12Å; R286-E297 WeakPolarHBondContact CG-O 3.44Å; R286-E297 IonicContact CZ-OE1 3.77Å; R286-E297 IonicContact CZ-OE2 2.66Å; R286-E297 PolarHBondContact N-O 3.2Å; R286-E297 VanDerWaalsContact NH1-CD 3.31Å; R286-E297 IonicContact NH1-OE1 3.34Å; R286-E297 IonicContact NH1-OE2 3.54Å; R286-E297 PolarHBondContact NH1-OE2 2.9Å; R286-E297 IonicContact NH2-OE1 3.61Å; R286-E297 PolarHBondContact NH2-OE1 3.35Å; R286-E297 IonicContact NH2-OE2 3.05Å; R286-E297 PolarHBondContact NH2-OE2 3.42Å; R286-E297 PolarHBondContact O-N 2.87Å; V288-E297 HydrophobicContact CG2-CB 4.21Å; E297-R299 IonicContact OE1-CZ 3.49Å; E297-R299 IonicContact OE1-NE 3.32Å; E297-R299 PolarHBondContact OE1-NE 3.49Å; E297-R299 IonicContact OE1-NH2 3.42Å; E297-R299 PolarHBondContact OE1-NH2 3.23Å; E297-P310 HydrophobicContact CG-CB 3.66Å; E297-P310 VanDerWaalsContact OE1-CB 3.26Å; E297-P310 WeakPolarHBondContact OE1-CB 3.46Å; E297-F312 HydrophobicContact CB-CD1 3.97Å; E297-F312 HydrophobicContact CB-CE1 3.7Å; E297-F312 HydrophobicContact CG-CD1 4.03Å; E297-F312 HydrophobicContact CG-CE1 3.5Å; E297-F312 HydrophobicContact CG-CZ 3.89Å
298	I	94.1	Very high	76.2	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.021	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.4	-177.8	-53.9	84.4	0	0	0	108.5	L158 I162 C283 Q284 V285 L296 P310 L311 I313	L158-I298 HydrophobicContact CD2-CG2 3.74Å; L158-I298 HydrophobicContact CG-CG2 4.41Å; I162-I298 HydrophobicContact CD1-CD1 4.19Å; I162-I298 HydrophobicContact CD1-CG1 3.6Å; C283-I298 HydrophobicContact CB-CG2 4.2Å; Q284-I298 WeakPolarHBondContact O-CA 3.43Å; V285-I298 HydrophobicContact CG1-CG1 4.42Å; V285-I298 HydrophobicContact CG2-CG1 4.33Å; V285-I298 HydrophobicContact CG2-CG2 4.36Å; L296-I298 HydrophobicContact CB-CD1 4.09Å; I298-P310 WeakPolarHBondContact O-CA 3.3Å; I298-L311 HydrophobicContact CB-CB 4.33Å; I298-L311 HydrophobicContact CD1-CG 4.4Å; I298-L311 WeakPolarHBondContact CD1-O 3.43Å; I298-L311 PolarHBondContact N-O 3.31Å; I298-L311 PolarHBondContact O-N 3.01Å; I298-I313 HydrophobicContact CD1-CB 3.9Å; I298-I313 HydrophobicContact CD1-CD1 3.55Å; I298-I313 HydrophobicContact CD1-CG1 3.5Å; I298-I313 VanDerWaalsContact CD1-CG1 3.5Å; I298-I313 HydrophobicContact CG1-CD1 4.28Å
299	R	90.4	Very high	75.4	Confident	110 Å²	110	79.6 Å²	79.6	42%	0.415	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.3	175.6	-67.5	-173.1	177.6	172.5	-2.9	110.4	Q284 E297 P310	Q284-R299 HydrophobicContact CB-CB 4.31Å; Q284-R299 PolarHBondContact N-O 3.23Å; Q284-R299 PolarHBondContact O-N 3.07Å; E297-R299 IonicContact OE1-CZ 3.49Å; E297-R299 IonicContact OE1-NE 3.32Å; E297-R299 PolarHBondContact OE1-NE 3.49Å; E297-R299 IonicContact OE1-NH2 3.42Å; E297-R299 PolarHBondContact OE1-NH2 3.23Å; R299-P310 HydrophobicContact CG-CB 4.15Å
300	P	80.2	Confident	75.5	Confident	54 Å²	54	76 Å²	76	35%	0.351	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	146.6	170.4	26.8	-31.6	0	0	0	110.4	N308	P300-N308 HydrophobicContact CG-CB 3.8Å
301	E	69.3	Low	76.2	Confident	137 Å²	137	72.2 Å²	72.2	64%	0.64	41%	0.406	S	S	*	.	S	Bend	trans	-74.6	-26.9	-177.4	-168.5	171.6	-160.2	0	0	113.1	E303	E301-E303 PolarHBondContact O-N 2.91Å
302	S	63.4	Low	76.9	Confident	79 Å²	79	72.8 Å²	72.8	55%	0.552	40%	0.396	S	S	*	.			trans	-85.8	111.6	179.4	-171.3	0	0	0	0	111.9	A304	S302-A304 PolarHBondContact O-N 2.88Å; S302-A304 VanDerWaalsContact O-N 3.11Å; S302-A304 WeakPolarHBondContact OG-CB 3.5Å
303	E	51.6	Low	77.6	Confident	190 Å²	190	69.1 Å²	69.1	89%	0.888	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.1	172.4	-63.9	-173.2	162.4	0	0	113.8	E301 E305	E301-E303 PolarHBondContact O-N 2.91Å; E303-E305 PolarHBondContact O-N 2.73Å
304	A	49.6	Very low	78	Confident	86 Å²	86	67 Å²	67	71%	0.711	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.9	-176.9	0	0	0	0	0	114	S302	S302-A304 PolarHBondContact O-N 2.88Å; S302-A304 VanDerWaalsContact O-N 3.11Å; S302-A304 WeakPolarHBondContact OG-CB 3.5Å
305	E	49.6	Very low	78.1	Confident	113 Å²	113	66.9 Å²	66.9	53%	0.528	36%	0.364	S	S	.	.			trans	-114.7	78.3	175.2	-67.2	179.9	-177.1	0	0	109.5	E303 S307 N308	E303-E305 PolarHBondContact O-N 2.73Å; E305-S307 PolarHBondContact O-N 2.79Å; E305-N308 PolarHBondContact O-N 2.8Å; E305-N308 PolarHBondContact OE2-ND2 2.99Å
306	S	44	Very low	78.2	Confident	128 Å²	128	64.3 Å²	64.3	90%	0.895	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	9.8	178.4	55.4	0	0	0	0	115.3
307	S	50.7	Low	78.2	Confident	95 Å²	95	64.3 Å²	64.3	66%	0.664	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-7.7	-179.7	59	0	0	0	0	114.9	E305 Q309	E305-S307 PolarHBondContact O-N 2.79Å; S307-Q309 PolarHBondContact O-N 3.25Å; S307-Q309 VanDerWaalsContact O-N 3.1Å
308	N	63	Low	78.3	Confident	64 Å²	64	63.5 Å²	63.5	34%	0.342	35%	0.352	S	S	.	.			trans	-79.1	103.1	-174.6	-73	-17.4	0	0	0	111	P300 E305	P300-N308 HydrophobicContact CG-CB 3.8Å; E305-N308 PolarHBondContact O-N 2.8Å; E305-N308 PolarHBondContact OE2-ND2 2.99Å
309	Q	77.8	Confident	78.5	Confident	122 Å²	122	63.5 Å²	63.5	57%	0.57	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-55.9	143	168.9	-71.7	-174.1	-13.1	0	0	110	S196 S307	S196-Q309 VanDerWaalsContact CB-OE1 3.27Å; S196-Q309 PolarHBondContact OG-OE1 3.34Å; S307-Q309 PolarHBondContact O-N 3.25Å; S307-Q309 VanDerWaalsContact O-N 3.1Å
310	P	90.1	Very high	78.7	Confident	33 Å²	33	64 Å²	64	21%	0.214	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64.2	140.5	176	26.8	-33.4	0	0	0	110.7	E297 I298 R299 F312	E297-P310 HydrophobicContact CG-CB 3.66Å; E297-P310 VanDerWaalsContact OE1-CB 3.26Å; E297-P310 WeakPolarHBondContact OE1-CB 3.46Å; I298-P310 WeakPolarHBondContact O-CA 3.3Å; R299-P310 HydrophobicContact CG-CB 4.15Å; P310-F312 HydrophobicContact CB-CE2 4.19Å; P310-F312 HydrophobicContact CB-CZ 4.36Å; P310-F312 HydrophobicContact CG-CE2 3.73Å; P310-F312 HydrophobicContact CG-CZ 4Å
311	L	93.3	Very high	79.2	Confident	15 Å²	15	66.3 Å²	66.3	8%	0.079	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.5	166.1	170.5	65.7	0	0	0	108.1	A155 L158 A197 I298 I313	A155-L311 HydrophobicContact CB-CD2 4.4Å; L158-L311 HydrophobicContact CD2-CD2 4.03Å; L158-L311 HydrophobicContact CG-CD2 4.42Å; A197-L311 WeakPolarHBondContact O-CD1 3.31Å; I298-L311 HydrophobicContact CB-CB 4.33Å; I298-L311 HydrophobicContact CD1-CG 4.4Å; I298-L311 WeakPolarHBondContact CD1-O 3.43Å; I298-L311 PolarHBondContact N-O 3.31Å; I298-L311 PolarHBondContact O-N 3.01Å; L311-I313 HydrophobicContact CD2-CD1 4.32Å; L311-I313 HydrophobicContact CD2-CG1 4.33Å; L311-I313 HydrophobicContact CG-CG1 4.26Å
312	F	95.8	Very high	80	Confident	54 Å²	54	63.6 Å²	63.6	24%	0.237	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.3	171.2	-68.2	-82.2	0	0	0	110.7	D198 H199 A200 R295 L296 E297 P310	D198-F312 PolarHBondContact O-N 2.81Å; H199-F312 CarbonylContact C-O 3.54Å; H199-F312 VanDerWaalsContact CA-O 3.23Å; H199-F312 WeakPolarHBondContact CA-O 3.41Å; A200-F312 PolarHBondContact N-O 3.38Å; R295-F312 HydrophobicContact CG-CB 4.41Å; R295-F312 HydrophobicContact CG-CD1 4.15Å; L296-F312 CarbonylContact O-C 3.56Å; L296-F312 VanDerWaalsContact O-CA 3.3Å; L296-F312 WeakPolarHBondContact O-CA 3.37Å; E297-F312 HydrophobicContact CB-CD1 3.97Å; E297-F312 HydrophobicContact CB-CE1 3.7Å; E297-F312 HydrophobicContact CG-CD1 4.03Å; E297-F312 HydrophobicContact CG-CE1 3.5Å; E297-F312 HydrophobicContact CG-CZ 3.89Å; P310-F312 HydrophobicContact CB-CE2 4.19Å; P310-F312 HydrophobicContact CB-CZ 4.36Å; P310-F312 HydrophobicContact CG-CE2 3.73Å; P310-F312 HydrophobicContact CG-CZ 4Å
313	I	96.4	Very high	81.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.5	174.2	-66.1	177.5	0	0	0	108.8	A159 I162 A200 L202 R295 L296 I298 L311	A159-I313 HydrophobicContact CB-CD1 3.86Å; A159-I313 HydrophobicContact CB-CG1 4.45Å; I162-I313 HydrophobicContact CB-CD1 4.27Å; I162-I313 HydrophobicContact CD1-CD1 3.6Å; I162-I313 HydrophobicContact CG2-CD1 4.31Å; A200-I313 HydrophobicContact CB-CG1 4.3Å; A200-I313 WeakPolarHBondContact O-CA 3.33Å; L202-I313 HydrophobicContact CD1-CG2 3.6Å; L202-I313 HydrophobicContact CD2-CG2 4.12Å; L202-I313 HydrophobicContact CG-CG2 3.42Å; L202-I313 VanDerWaalsContact CG-CG2 3.42Å; R295-I313 CarbonylContact C-O 3.41Å; R295-I313 WeakPolarHBondContact CA-O 3.44Å; L296-I313 HydrophobicContact CB-CB 4.34Å; L296-I313 PolarHBondContact N-O 3.37Å; L296-I313 PolarHBondContact O-N 3.23Å; I298-I313 HydrophobicContact CD1-CB 3.9Å; I298-I313 HydrophobicContact CD1-CD1 3.55Å; I298-I313 HydrophobicContact CD1-CG1 3.5Å; I298-I313 VanDerWaalsContact CD1-CG1 3.5Å; I298-I313 HydrophobicContact CG1-CD1 4.28Å; L311-I313 HydrophobicContact CD2-CD1 4.32Å; L311-I313 HydrophobicContact CD2-CG1 4.33Å; L311-I313 HydrophobicContact CG-CG1 4.26Å
314	S	96.5	Very high	83.2	Confident	15 Å²	15	57.9 Å²	57.9	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.9	174.4	-62.6	0	0	0	0	110.3	H199 A200 C201 L202 L294	H199-S314 PolarHBondContact NE2-OG 2.93Å; A200-S314 PolarHBondContact O-N 3.36Å; C201-S314 CarbonylContact C-O 3.42Å; C201-S314 WeakPolarHBondContact CA-O 3.42Å; L202-S314 PolarHBondContact N-O 2.89Å; L294-S314 CarbonylContact O-C 3.52Å; L294-S314 WeakPolarHBondContact O-CA 3.28Å
315	M	97.1	Very high	85.4	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.4	170.1	-63.9	178.9	63.1	0	0	110.4	I166 M182 L202 V204 V268 M269 L294	I166-M315 HydrophobicContact CD1-CE 4.43Å; I166-M315 HydrophobicContact CD1-SD 3.79Å; I166-M315 HydrophobicContact CG2-CE 3.63Å; I166-M315 HydrophobicContact CG2-SD 4.28Å; M182-M315 HydrophobicContact CE-CE 4.32Å; L202-M315 HydrophobicContact CB-CG 4.35Å; L202-M315 HydrophobicContact CD1-CG 4.25Å; L202-M315 CarbonylContact O-C 3.5Å; L202-M315 WeakPolarHBondContact O-CA 3.49Å; V204-M315 HydrophobicContact CG2-CE 4Å; V268-M315 HydrophobicContact CB-CE 4.49Å; V268-M315 HydrophobicContact CB-SD 4.47Å; V268-M315 HydrophobicContact CG1-CE 4.07Å; V268-M315 HydrophobicContact CG1-SD 3.7Å; V268-M315 HydrophobicContact CG2-CE 4.24Å; M269-M315 HydrophobicContact CE-CG 4.19Å; M269-M315 HydrophobicContact CE-SD 3.44Å; M269-M315 WeakPolarHBondContact CE-SD 3.42Å; L294-M315 HydrophobicContact CB-CB 3.88Å; L294-M315 HydrophobicContact CD1-CB 4.4Å; L294-M315 PolarHBondContact O-N 3.01Å
316	L	97	Very high	87.7	Confident	27 Å²	27	49.5 Å²	49.5	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	105.1	-173.5	-168.8	61.5	0	0	0	110.6	L202 L203 V204 V318 T327 Q329	L202-L316 PolarHBondContact O-N 3.33Å; L203-L316 HydrophobicContact CD2-CB 4.25Å; L203-L316 HydrophobicContact CD2-CD2 4.1Å; V204-L316 PolarHBondContact N-O 3.13Å; L316-V318 HydrophobicContact CD2-CG1 4.49Å; L316-V318 HydrophobicContact CG-CG1 4.22Å; L316-V318 WeakPolarHBondContact O-CG1 3.46Å; L316-V318 PolarHBondContact O-N 3.37Å; L316-T327 HydrophobicContact CD2-CG2 3.6Å; L316-T327 HydrophobicContact CG-CG2 4.08Å; L316-Q329 HydrophobicContact CD1-CG 3.48Å; L316-Q329 VanDerWaalsContact CD1-CG 3.48Å
317	P	97.6	Very high	90.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.5	170.7	-20.1	32.2	0	0	0	110.6	V204 L206 V260 V261 F264 L294 A328	V204-P317 WeakPolarHBondContact O-CA 3.27Å; L206-P317 HydrophobicContact CD1-CB 4.2Å; L206-P317 HydrophobicContact CD2-CB 4.35Å; L206-P317 HydrophobicContact CG-CB 4.43Å; V260-P317 HydrophobicContact CG1-CB 4.2Å; V260-P317 HydrophobicContact CG1-CG 4.42Å; V261-P317 HydrophobicContact CG2-CG 4.38Å; F264-P317 HydrophobicContact CD2-CB 4.41Å; F264-P317 HydrophobicContact CD2-CG 3.69Å; F264-P317 HydrophobicContact CE2-CB 4.12Å; F264-P317 HydrophobicContact CE2-CG 3.88Å; L294-P317 HydrophobicContact CD1-CG 4.2Å; P317-A328 HydrophobicContact CB-CB 3.84Å; P317-A328 HydrophobicContact CG-CB 4.08Å; P317-A328 PolarHBondContact O-N 3.39Å
318	V	97.8	Very high	92.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141	-177.3	-58.3	0	0	0	0	112.9	L203 V204 P205 L206 L316 L326 T327	L203-V318 HydrophobicContact CB-CG1 4.39Å; L203-V318 HydrophobicContact CB-CG2 4.25Å; L203-V318 HydrophobicContact CD2-CG1 4.06Å; V204-V318 PolarHBondContact O-N 3.25Å; P205-V318 WeakPolarHBondContact CA-O 3.46Å; P205-V318 HydrophobicContact CB-CG2 4.08Å; P205-V318 HydrophobicContact CG-CG2 4.2Å; L206-V318 PolarHBondContact N-O 3.19Å; L316-V318 HydrophobicContact CD2-CG1 4.49Å; L316-V318 HydrophobicContact CG-CG1 4.22Å; L316-V318 WeakPolarHBondContact O-CG1 3.46Å; L316-V318 PolarHBondContact O-N 3.37Å; V318-L326 CarbonylContact C-O 3.45Å; V318-L326 VanDerWaalsContact CA-O 3.25Å; V318-L326 WeakPolarHBondContact CA-O 3.43Å; V318-T327 HydrophobicContact CG1-CG2 4.01Å
319	L	97.5	Very high	94	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.8	168.4	-65.5	172.7	0	0	0	109.1	L206 L208 V231 V325 L326 W340	L206-L319 HydrophobicContact CB-CD2 3.76Å; L206-L319 HydrophobicContact CD1-CD2 4.32Å; L206-L319 HydrophobicContact CG-CD2 4.4Å; L208-L319 HydrophobicContact CD1-CD1 3.94Å; L208-L319 HydrophobicContact CD1-CD2 3.5Å; L208-L319 HydrophobicContact CD1-CG 4.33Å; L208-L319 HydrophobicContact CD2-CD2 4.08Å; L208-L319 HydrophobicContact CG-CD2 3.53Å; V231-L319 HydrophobicContact CG1-CD1 4.33Å; V231-L319 HydrophobicContact CG2-CD1 3.66Å; L319-V325 WeakPolarHBondContact O-CA 3.42Å; L319-L326 HydrophobicContact CB-CB 4.21Å; L319-L326 PolarHBondContact N-O 2.93Å; L319-L326 PolarHBondContact O-N 3.47Å; L319-W340 HydrophobicContact CD1-CD2 3.81Å; L319-W340 HydrophobicContact CD1-CE3 3.75Å; L319-W340 HydrophobicContact CD1-CH2 3.76Å; L319-W340 HydrophobicContact CD1-CZ2 3.8Å; L319-W340 HydrophobicContact CD1-CZ3 3.72Å; L319-W340 HydrophobicContact CG-CE3 4.09Å; L319-W340 HydrophobicContact CG-CH2 3.95Å; L319-W340 HydrophobicContact CG-CZ2 4.47Å; L319-W340 HydrophobicContact CG-CZ3 3.71Å
320	R	94	Very high	94.7	Very high	120 Å²	120	33.5 Å²	33.5	45%	0.453	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.3	179.1	-63.8	-171.4	177.3	108	-4.9	110.2	L203 V324 V325	L203-R320 VanDerWaalsContact CD1-NH2 3.26Å; R320-V324 WeakPolarHBondContact CA-O 3.46Å; R320-V325 HydrophobicContact CG-CG2 4.38Å
321	E	90.4	Very high	94.8	Very high	103 Å²	103	35.8 Å²	35.8	48%	0.481	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	108.2	171	-171.8	172.7	-165.8	0	0	108.8	L215 N323 V324	L215-E321 WeakPolarHBondContact CB-OE2 3.31Å; L215-E321 WeakPolarHBondContact CD1-OE2 3.44Å; L215-E321 HydrophobicContact CD2-CB 3.87Å; L215-E321 WeakPolarHBondContact CD2-OE2 3.26Å; E321-N323 PolarHBondContact O-N 2.94Å; E321-N323 VanDerWaalsContact O-N 3.15Å; E321-V324 PolarHBondContact N-O 2.93Å; E321-V324 VanDerWaalsContact N-O 3.09Å; E321-V324 WeakPolarHBondContact O-CB 3.45Å; E321-V324 PolarHBondContact O-N 3.43Å
322	G	87.8	Confident	94.7	Very high	79 Å²	79	38.8 Å²	38.8	81%	0.814	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	-118.6	-172.5	0	0	0	0	0	112.1
323	N	87.6	Confident	94.6	Very high	119 Å²	119	36.3 Å²	36.3	64%	0.636	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.3	178	-71.2	-28.9	0	0	0	113.9	E321 W347	E321-N323 PolarHBondContact O-N 2.94Å; E321-N323 VanDerWaalsContact O-N 3.15Å; N323-W347 PolarHBondContact O-NE1 3.32Å
324	V	93.4	Very high	94.3	Very high	30 Å²	30	40.2 Å²	40.2	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.2	-179.2	-179.5	0	0	0	0	109.1	W229 R320 E321 L326 L342	W229-V324 HydrophobicContact CE3-CG1 4.49Å; W229-V324 HydrophobicContact CH2-CG1 4.11Å; W229-V324 HydrophobicContact CH2-CG2 4.05Å; W229-V324 HydrophobicContact CZ2-CG1 4.21Å; W229-V324 HydrophobicContact CZ2-CG2 4.47Å; W229-V324 HydrophobicContact CZ3-CG1 4.27Å; R320-V324 WeakPolarHBondContact CA-O 3.46Å; E321-V324 PolarHBondContact N-O 2.93Å; E321-V324 VanDerWaalsContact N-O 3.09Å; E321-V324 WeakPolarHBondContact O-CB 3.45Å; E321-V324 PolarHBondContact O-N 3.43Å; V324-L326 HydrophobicContact CG1-CD2 3.67Å; V324-L326 HydrophobicContact CG1-CG 4.02Å; V324-L342 HydrophobicContact CG1-CD1 3.88Å
325	V	96.2	Very high	94	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.139	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.5	175.1	-176.8	0	0	0	0	108.1	L319 R320 S343	L319-V325 WeakPolarHBondContact O-CA 3.42Å; R320-V325 HydrophobicContact CG-CG2 4.38Å; V325-S343 PolarHBondContact O-N 3.01Å
326	L	98.1	Very high	93.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.9	175.3	-49.9	-178.8	0	0	0	110.1	L215 W229 V231 V318 L319 V324 W340 H341 L342	L215-L326 HydrophobicContact CD2-CD1 3.56Å; L215-L326 HydrophobicContact CD2-CG 4.18Å; L215-L326 HydrophobicContact CG-CD1 3.89Å; W229-L326 HydrophobicContact CB-CD1 3.67Å; W229-L326 HydrophobicContact CB-CD2 3.69Å; W229-L326 HydrophobicContact CB-CG 4.33Å; W229-L326 HydrophobicContact CD2-CD1 4.46Å; W229-L326 HydrophobicContact CD2-CD2 3.82Å; W229-L326 HydrophobicContact CE3-CD1 4.45Å; W229-L326 HydrophobicContact CE3-CD2 4.43Å; W229-L326 HydrophobicContact CG-CD1 4.18Å; W229-L326 HydrophobicContact CG-CD2 3.45Å; W229-L326 VanDerWaalsContact CG-CD2 3.45Å; W229-L326 HydrophobicContact CG-CG 4.47Å; V231-L326 HydrophobicContact CG2-CD1 4.18Å; V318-L326 CarbonylContact C-O 3.45Å; V318-L326 VanDerWaalsContact CA-O 3.25Å; V318-L326 WeakPolarHBondContact CA-O 3.43Å; L319-L326 HydrophobicContact CB-CB 4.21Å; L319-L326 PolarHBondContact N-O 2.93Å; L319-L326 PolarHBondContact O-N 3.47Å; V324-L326 HydrophobicContact CG1-CD2 3.67Å; V324-L326 HydrophobicContact CG1-CG 4.02Å; L326-W340 HydrophobicContact CB-CB 4.01Å; L326-W340 HydrophobicContact CB-CE3 4.21Å; L326-W340 HydrophobicContact CD1-CB 4.14Å; L326-H341 CarbonylContact C-O 3.57Å; L326-H341 VanDerWaalsContact CA-O 3.25Å; L326-H341 WeakPolarHBondContact CA-O 3.47Å; L326-L342 HydrophobicContact CD2-CB 4.29Å; L326-L342 HydrophobicContact CD2-CD1 3.97Å
327	T	97.6	Very high	93.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.7	179.2	57.3	0	0	0	0	110	L316 V318 Q329 H341	L316-T327 HydrophobicContact CD2-CG2 3.6Å; L316-T327 HydrophobicContact CG-CG2 4.08Å; V318-T327 HydrophobicContact CG1-CG2 4.01Å; T327-Q329 PolarHBondContact O-N 2.82Å; T327-Q329 PolarHBondContact OG1-OE1 2.88Å; T327-H341 PolarHBondContact N-O 2.66Å; T327-H341 PolarHBondContact O-N 3.47Å; T327-H341 PolarHBondContact OG1-O 2.78Å
328	A	96.9	Very high	93.3	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.041	29%	0.287	C	S	.	.			trans	-85	91.7	173.3	0	0	0	0	0	109.7	A257 V261 P317 W340	A257-A328 HydrophobicContact CB-CB 4Å; V261-A328 HydrophobicContact CG2-CB 3.65Å; P317-A328 HydrophobicContact CB-CB 3.84Å; P317-A328 HydrophobicContact CG-CB 4.08Å; P317-A328 PolarHBondContact O-N 3.39Å; A328-W340 HydrophobicContact CB-CE3 4.07Å; A328-W340 HydrophobicContact CB-CH2 4Å; A328-W340 HydrophobicContact CB-CZ3 3.65Å
329	Q	94.6	Very high	93.2	Very high	45 Å²	45	51.4 Å²	51.4	21%	0.21	29%	0.287	C	S	.	.			trans	-127.8	84.1	178.5	-65	-179.3	-91.5	0	0	110.1	L316 T327 E331 L332 T333	L316-Q329 HydrophobicContact CD1-CG 3.48Å; L316-Q329 VanDerWaalsContact CD1-CG 3.48Å; T327-Q329 PolarHBondContact O-N 2.82Å; T327-Q329 PolarHBondContact OG1-OE1 2.88Å; Q329-E331 PolarHBondContact O-N 3.4Å; Q329-E331 VanDerWaalsContact O-N 3.09Å; Q329-L332 HydrophobicContact CB-CB 4.29Å; Q329-L332 HydrophobicContact CB-CD1 4.03Å; Q329-L332 HydrophobicContact CB-CG 4.11Å; Q329-L332 PolarHBondContact O-N 2.81Å; Q329-T333 PolarHBondContact O-N 3.11Å; Q329-T333 PolarHBondContact O-OG1 3.34Å
330	P	92.6	Very high	93.2	Very high	21 Å²	21	51.2 Å²	51.2	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-27.9	-174.9	-26.9	36.3	0	0	0	114	E258 V261 L332 T333 S334	E258-P330 HydrophobicContact CB-CB 4.48Å; E258-P330 HydrophobicContact CB-CG 4.31Å; E258-P330 HydrophobicContact CG-CB 4.45Å; E258-P330 HydrophobicContact CG-CG 4.47Å; V261-P330 HydrophobicContact CB-CG 4.15Å; V261-P330 HydrophobicContact CG1-CG 4.3Å; V261-P330 HydrophobicContact CG2-CG 4.04Å; P330-L332 VanDerWaalsContact C-N 3.33Å; P330-L332 PolarHBondContact O-N 2.89Å; P330-T333 WeakPolarHBondContact CA-OG1 3.5Å; P330-T333 CarbonylContact O-C 3.56Å; P330-T333 PolarHBondContact O-N 3.34Å; P330-S334 WeakPolarHBondContact O-CB 3.49Å; P330-S334 PolarHBondContact O-N 3Å
331	E	92.2	Very high	93.4	Very high	81 Å²	81	46.9 Å²	46.9	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-35.5	175.2	68.8	-162.9	169.2	0	0	113.3	P292 E293 Q329	P292-E331 HydrophobicContact CG-CB 4.35Å; E293-E331 WeakPolarHBondContact CG-OE2 3.45Å; Q329-E331 PolarHBondContact O-N 3.4Å; Q329-E331 VanDerWaalsContact O-N 3.09Å
332	L	92.4	Very high	93.7	Very high	78 Å²	78	42 Å²	42	41%	0.408	25%	0.248	S	C	.	.	H	α-helix	trans	-85.3	-16.6	178.6	-59.8	-177.6	0	0	0	112.2	H228 Q329 P330	H228-L332 PolarHBondContact NE2-O 2.81Å; Q329-L332 HydrophobicContact CB-CB 4.29Å; Q329-L332 HydrophobicContact CB-CD1 4.03Å; Q329-L332 HydrophobicContact CB-CG 4.11Å; Q329-L332 PolarHBondContact O-N 2.81Å; P330-L332 VanDerWaalsContact C-N 3.33Å; P330-L332 PolarHBondContact O-N 2.89Å
333	T	93.1	Very high	94.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-111.4	6.7	-178	66.9	0	0	0	0	113.9	H228 Q329 P330 W336 A339 H341	H228-T333 VanDerWaalsContact NE2-CA 3.35Å; H228-T333 WeakPolarHBondContact NE2-CA 3.49Å; Q329-T333 PolarHBondContact O-N 3.11Å; Q329-T333 PolarHBondContact O-OG1 3.34Å; P330-T333 WeakPolarHBondContact CA-OG1 3.5Å; P330-T333 CarbonylContact O-C 3.56Å; P330-T333 PolarHBondContact O-N 3.34Å; T333-W336 CarbonylContact O-C 3.57Å; T333-W336 VanDerWaalsContact O-CA 3.26Å; T333-W336 WeakPolarHBondContact O-CA 3.44Å; T333-W336 VanDerWaalsContact O-CB 3.32Å; T333-W336 WeakPolarHBondContact O-CB 3.26Å; T333-W336 VanDerWaalsContact O-CE3 3.29Å; T333-W336 PolarHBondContact O-N 2.97Å; T333-A339 HydrophobicContact CG2-CB 4.27Å; T333-A339 PolarHBondContact OG1-O 2.87Å; T333-H341 HydrophobicContact CG2-CB 3.93Å
334	S	89.1	Confident	94.6	Very high	83 Å²	83	34.1 Å²	34.1	58%	0.58	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	137.9	176.3	-176.8	0	0	0	0	110.7	P330 W336	P330-S334 WeakPolarHBondContact O-CB 3.49Å; P330-S334 PolarHBondContact O-N 3Å; S334-W336 WeakPolarHBondContact O-CZ3 3.47Å
335	P	90.5	Very high	94.7	Very high	97 Å²	97	35.9 Å²	35.9	63%	0.63	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	cis	-91.2	13.2	6.3	36.8	-36.8	0	0	0	114.6	V337	P335-V337 PolarHBondContact O-N 3.27Å
336	W	92.3	Very high	94.6	Very high	102 Å²	102	36.5 Å²	36.5	39%	0.386	20%	0.197	S	C	.	.			trans	-86.6	85.7	-174	-50.8	-75.8	0	0	0	112.5	L223 H228 T333 S334 N338 A339	L223-W336 HydrophobicContact CD2-CB 4.21Å; L223-W336 HydrophobicContact CD2-CD2 4.14Å; L223-W336 HydrophobicContact CD2-CG 3.58Å; H228-W336 AromaticContact CD2-CE3 3.67Å; H228-W336 AromaticContact NE2-CE3 3.29Å; H228-W336 VanDerWaalsContact NE2-CE3 3.29Å; H228-W336 AromaticContact NE2-CZ3 3.5Å; H228-W336 WeakPolarHBondContact NE2-CZ3 3.33Å; T333-W336 CarbonylContact O-C 3.57Å; T333-W336 VanDerWaalsContact O-CA 3.26Å; T333-W336 WeakPolarHBondContact O-CA 3.44Å; T333-W336 VanDerWaalsContact O-CB 3.32Å; T333-W336 WeakPolarHBondContact O-CB 3.26Å; T333-W336 VanDerWaalsContact O-CE3 3.29Å; T333-W336 PolarHBondContact O-N 2.97Å; S334-W336 WeakPolarHBondContact O-CZ3 3.47Å; W336-N338 PolarHBondContact O-N 3.44Å; W336-A339 HydrophobicContact CB-CB 3.85Å; W336-A339 WeakPolarHBondContact O-CB 3.22Å; W336-A339 PolarHBondContact O-N 2.88Å
337	V	90.1	Very high	94.5	Very high	57 Å²	57	39.7 Å²	39.7	35%	0.345	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-33.7	176.7	-179.2	0	0	0	0	114.6	S256 E258 P335	S256-V337 WeakPolarHBondContact CB-O 3.47Å; S256-V337 WeakPolarHBondContact OG-CG1 3.4Å; S256-V337 PolarHBondContact OG-O 2.81Å; E258-V337 HydrophobicContact CB-CG1 3.87Å; E258-V337 HydrophobicContact CG-CG1 4.45Å; E258-V337 PolarHBondContact N-O 2.75Å; E258-V337 WeakPolarHBondContact OE2-CG1 3.47Å; E258-V337 VanDerWaalsContact OE2-CG2 3.28Å; E258-V337 WeakPolarHBondContact OE2-CG2 3.25Å; P335-V337 PolarHBondContact O-N 3.27Å
338	N	94.2	Very high	94.5	Very high	28 Å²	28	40 Å²	40	15%	0.15	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.2	-175.7	-70.9	-5.4	0	0	0	114.2	M230 V251 S256 W336	M230-N338 HydrophobicContact CE-CB 3.54Å; M230-N338 HydrophobicContact SD-CB 4.06Å; V251-N338 VanDerWaalsContact CB-OD1 3.26Å; V251-N338 WeakPolarHBondContact CB-OD1 3.25Å; V251-N338 WeakPolarHBondContact CG1-OD1 3.49Å; V251-N338 PolarHBondContact O-ND2 2.91Å; V251-N338 VanDerWaalsContact O-ND2 3.09Å; S256-N338 WeakPolarHBondContact CB-OD1 3.33Å; W336-N338 PolarHBondContact O-N 3.44Å
339	A	96.8	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	145.1	-171.5	0	0	0	0	0	111.3	L223 H228 W229 M230 A257 T333 W336	L223-A339 HydrophobicContact CD1-CB 4.03Å; H228-A339 HydrophobicContact CB-CB 4.24Å; W229-A339 WeakPolarHBondContact O-CA 3.32Å; M230-A339 HydrophobicContact SD-CB 4.27Å; A257-A339 WeakPolarHBondContact CB-O 3.38Å; T333-A339 HydrophobicContact CG2-CB 4.27Å; T333-A339 PolarHBondContact OG1-O 2.87Å; W336-A339 HydrophobicContact CB-CB 3.85Å; W336-A339 WeakPolarHBondContact O-CB 3.22Å; W336-A339 PolarHBondContact O-N 2.88Å
340	W	98.1	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.5	170.9	-69.2	68.8	0	0	0	109.1	L206 H228 W229 V231 L255 A257 V260 L319 L326 A328	L206-W340 HydrophobicContact CD1-CH2 3.66Å; L206-W340 HydrophobicContact CD1-CZ3 4.42Å; H228-W340 CarbonylContact C-O 3.6Å; H228-W340 WeakPolarHBondContact CA-O 3.39Å; W229-W340 PolarHBondContact N-O 2.9Å; W229-W340 PolarHBondContact O-N 3.27Å; V231-W340 HydrophobicContact CG2-CD2 4.36Å; V231-W340 HydrophobicContact CG2-CG 4Å; L255-W340 HydrophobicContact CD2-CZ2 3.99Å; L255-W340 HydrophobicContact CG-CZ2 4.06Å; L255-W340 PolarHBondContact O-NE1 2.6Å; A257-W340 HydrophobicContact CB-CD2 3.95Å; A257-W340 HydrophobicContact CB-CG 4.07Å; A257-W340 HydrophobicContact CB-CZ2 4.3Å; V260-W340 HydrophobicContact CG1-CH2 4.45Å; V260-W340 HydrophobicContact CG2-CZ2 4.33Å; L319-W340 HydrophobicContact CD1-CD2 3.81Å; L319-W340 HydrophobicContact CD1-CE3 3.75Å; L319-W340 HydrophobicContact CD1-CH2 3.76Å; L319-W340 HydrophobicContact CD1-CZ2 3.8Å; L319-W340 HydrophobicContact CD1-CZ3 3.72Å; L319-W340 HydrophobicContact CG-CE3 4.09Å; L319-W340 HydrophobicContact CG-CH2 3.95Å; L319-W340 HydrophobicContact CG-CZ2 4.47Å; L319-W340 HydrophobicContact CG-CZ3 3.71Å; L326-W340 HydrophobicContact CB-CB 4.01Å; L326-W340 HydrophobicContact CB-CE3 4.21Å; L326-W340 HydrophobicContact CD1-CB 4.14Å; A328-W340 HydrophobicContact CB-CE3 4.07Å; A328-W340 HydrophobicContact CB-CH2 4Å; A328-W340 HydrophobicContact CB-CZ3 3.65Å
341	H	97.5	Very high	94.8	Very high	29 Å²	29	47.5 Å²	47.5	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.7	179.9	-176.1	76.8	0	0	0	110.6	L227 L326 T327 T333 S343	L227-H341 CarbonylContact O-C 3.57Å; L227-H341 WeakPolarHBondContact O-CA 3.37Å; L326-H341 CarbonylContact C-O 3.57Å; L326-H341 VanDerWaalsContact CA-O 3.25Å; L326-H341 WeakPolarHBondContact CA-O 3.47Å; T327-H341 PolarHBondContact N-O 2.66Å; T327-H341 PolarHBondContact O-N 3.47Å; T327-H341 PolarHBondContact OG1-O 2.78Å; T333-H341 HydrophobicContact CG2-CB 3.93Å; H341-S343 PolarHBondContact O-N 3.35Å
342	L	97.6	Very high	95	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113.2	171.4	177.5	65.8	0	0	0	109.7	L227 V324 L326 L344	L227-L342 HydrophobicContact CD2-CD2 4.48Å; L227-L342 PolarHBondContact O-N 3.23Å; V324-L342 HydrophobicContact CG1-CD1 3.88Å; L326-L342 HydrophobicContact CD2-CB 4.29Å; L326-L342 HydrophobicContact CD2-CD1 3.97Å; L342-L344 HydrophobicContact CD2-CD2 3.89Å; L342-L344 HydrophobicContact CG-CD2 4.09Å; L342-L344 PolarHBondContact O-N 3.21Å
343	S	96.4	Very high	95.2	Very high	20 Å²	20	41.9 Å²	41.9	14%	0.14	21%	0.213	C	C	.	.			trans	-78.7	113.7	175.6	-171.1	0	0	0	0	110.9	V325 H341	V325-S343 PolarHBondContact O-N 3.01Å; H341-S343 PolarHBondContact O-N 3.35Å
344	L	96.7	Very high	95.5	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.063	24%	0.236	C	C	.	.			trans	-85.2	-14.8	172.9	-60.1	-176.3	0	0	0	113.1	L227 L342 W347 E348 S429 F431 K432	L227-L344 HydrophobicContact CD2-CD1 3.79Å; L227-L344 HydrophobicContact CD2-CD2 4.43Å; L227-L344 HydrophobicContact CD2-CG 4.04Å; L342-L344 HydrophobicContact CD2-CD2 3.89Å; L342-L344 HydrophobicContact CG-CD2 4.09Å; L342-L344 PolarHBondContact O-N 3.21Å; L344-W347 HydrophobicContact CD2-CE3 4.15Å; L344-W347 HydrophobicContact CD2-CZ3 4.33Å; L344-W347 WeakPolarHBondContact O-CB 3.41Å; L344-W347 PolarHBondContact O-N 3.18Å; L344-E348 HydrophobicContact CB-CG 4.42Å; L344-E348 WeakPolarHBondContact O-CG 3.36Å; L344-E348 PolarHBondContact O-N 3.29Å; L344-S429 VanDerWaalsContact CD1-OG 3.25Å; L344-S429 WeakPolarHBondContact CD1-OG 3.41Å; L344-F431 HydrophobicContact CD2-CB 4.44Å; L344-K432 HydrophobicContact CD1-CB 4.24Å; L344-K432 HydrophobicContact CD1-CG 4.24Å; L344-K432 HydrophobicContact CD2-CG 4.11Å
345	Y	95.6	Very high	95.9	Very high	68 Å²	68	43.8 Å²	43.8	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-49.9	-47.8	-176.5	173.7	-91.6	0	0	0	113.6	G186 S187 D190 W347 E348 T349	G186-Y345 PolarHBondContact O-OH 2.98Å; S187-Y345 WeakPolarHBondContact CA-OH 3.43Å; S187-Y345 PolarHBondContact N-OH 3.38Å; D190-Y345 WeakPolarHBondContact OD2-CE1 3.34Å; D190-Y345 PolarHBondContact OD2-OH 3.49Å; Y345-W347 PolarHBondContact O-N 3.38Å; Y345-E348 PolarHBondContact O-N 3.06Å; Y345-T349 HydrophobicContact CD1-CG2 4.39Å; Y345-T349 HydrophobicContact CD2-CG2 3.93Å; Y345-T349 HydrophobicContact CE1-CG2 3.99Å; Y345-T349 HydrophobicContact CE2-CG2 3.5Å; Y345-T349 HydrophobicContact CG-CG2 4.36Å; Y345-T349 WeakPolarHBondContact O-CG2 3.41Å; Y345-T349 PolarHBondContact O-N 2.86Å; Y345-T349 PolarHBondContact O-OG1 3Å; Y345-T349 VanDerWaalsContact O-OG1 3.13Å
346	P	94.6	Very high	96.2	Very high	36 Å²	36	40.1 Å²	40.1	23%	0.234	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-26.7	179.3	-22	34.5	0	0	0	114	R350	P346-R350 WeakPolarHBondContact O-CB 3.39Å; P346-R350 PolarHBondContact O-N 2.88Å
347	W	95.8	Very high	96.4	Very high	67 Å²	67	39.5 Å²	39.5	25%	0.254	21%	0.205	S	C	.	.	H	α-helix	trans	-79	-42.8	178	-63.8	4.6	0	0	0	110.5	N323 L344 Y345 R351 F431	N323-W347 PolarHBondContact O-NE1 3.32Å; L344-W347 HydrophobicContact CD2-CE3 4.15Å; L344-W347 HydrophobicContact CD2-CZ3 4.33Å; L344-W347 WeakPolarHBondContact O-CB 3.41Å; L344-W347 PolarHBondContact O-N 3.18Å; Y345-W347 PolarHBondContact O-N 3.38Å; W347-R351 VanDerWaalsContact O-CB 3.26Å; W347-R351 WeakPolarHBondContact O-CB 3.05Å; W347-R351 PolarHBondContact O-N 2.8Å; W347-F431 HydrophobicContact CB-CD2 4.02Å; W347-F431 HydrophobicContact CB-CE1 4.37Å; W347-F431 HydrophobicContact CB-CE2 3.88Å; W347-F431 HydrophobicContact CB-CG 4.34Å; W347-F431 HydrophobicContact CB-CZ 4.06Å; W347-F431 HydrophobicContact CE3-CB 3.85Å; W347-F431 AromaticContact CE3-CD1 3.98Å; W347-F431 HydrophobicContact CE3-CD1 3.98Å; W347-F431 AromaticContact CE3-CG 3.88Å; W347-F431 HydrophobicContact CE3-CG 3.88Å; W347-F431 HydrophobicContact CZ3-CB 4.27Å
348	E	97.6	Very high	96.7	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-53.4	176.9	-70.8	171.5	170	0	0	112.4	L344 Y345 R350 R351 L352 T389 N390 L393 F431	L344-E348 HydrophobicContact CB-CG 4.42Å; L344-E348 WeakPolarHBondContact O-CG 3.36Å; L344-E348 PolarHBondContact O-N 3.29Å; Y345-E348 PolarHBondContact O-N 3.06Å; E348-R350 PolarHBondContact O-N 2.92Å; E348-R351 PolarHBondContact O-N 2.81Å; E348-L352 PolarHBondContact O-N 3.25Å; E348-T389 HydrophobicContact CB-CG2 3.74Å; E348-T389 HydrophobicContact CG-CG2 4.29Å; E348-N390 PolarHBondContact OE1-ND2 3.19Å; E348-L393 HydrophobicContact CB-CD1 4.46Å; E348-L393 HydrophobicContact CG-CD1 4.33Å; E348-F431 HydrophobicContact CB-CE2 4.5Å; E348-F431 HydrophobicContact CG-CD2 4Å; E348-F431 HydrophobicContact CG-CE2 3.96Å
349	T	96.2	Very high	96.8	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-67.9	-39.2	-178.4	59.4	0	0	0	0	112.1	L192 Y345 R351 L352 A353	L192-T349 HydrophobicContact CD1-CG2 3.53Å; Y345-T349 HydrophobicContact CD1-CG2 4.39Å; Y345-T349 HydrophobicContact CD2-CG2 3.93Å; Y345-T349 HydrophobicContact CE1-CG2 3.99Å; Y345-T349 HydrophobicContact CE2-CG2 3.5Å; Y345-T349 HydrophobicContact CG-CG2 4.36Å; Y345-T349 WeakPolarHBondContact O-CG2 3.41Å; Y345-T349 PolarHBondContact O-N 2.86Å; Y345-T349 PolarHBondContact O-OG1 3Å; Y345-T349 VanDerWaalsContact O-OG1 3.13Å; T349-R351 PolarHBondContact O-N 2.9Å; T349-L352 PolarHBondContact O-N 2.91Å; T349-A353 WeakPolarHBondContact O-CB 3.29Å; T349-A353 PolarHBondContact O-N 3.08Å
350	R	96.2	Very high	96.7	Very high	136 Å²	136	48.3 Å²	48.3	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-43.4	174.7	-177.5	-178.1	-63.2	158.1	0.8	111.4	P346 E348 A353 Q354	P346-R350 WeakPolarHBondContact O-CB 3.39Å; P346-R350 PolarHBondContact O-N 2.88Å; E348-R350 PolarHBondContact O-N 2.92Å; R350-A353 PolarHBondContact O-N 2.95Å; R350-Q354 HydrophobicContact CG-CG 4.46Å; R350-Q354 WeakPolarHBondContact O-CB 3.32Å; R350-Q354 VanDerWaalsContact O-CG 3.23Å; R350-Q354 WeakPolarHBondContact O-CG 3.15Å; R350-Q354 PolarHBondContact O-N 3.01Å
351	R	97.6	Very high	96.6	Very high	76 Å²	76	48.8 Å²	48.8	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-44.3	179.2	179.4	59.4	174.2	168.1	1.5	111.6	W347 E348 T349 A353 Q354 L355 L393 F431	W347-R351 VanDerWaalsContact O-CB 3.26Å; W347-R351 WeakPolarHBondContact O-CB 3.05Å; W347-R351 PolarHBondContact O-N 2.8Å; E348-R351 PolarHBondContact O-N 2.81Å; T349-R351 PolarHBondContact O-N 2.9Å; R351-A353 PolarHBondContact O-N 3.09Å; R351-Q354 PolarHBondContact O-N 3.1Å; R351-L355 HydrophobicContact CG-CD1 4.28Å; R351-L355 WeakPolarHBondContact O-CG 3.38Å; R351-L355 PolarHBondContact O-N 3.07Å; R351-L393 HydrophobicContact CB-CD2 4.14Å; R351-L393 HydrophobicContact CG-CD2 3.57Å; R351-F431 HydrophobicContact CB-CE2 4.44Å; R351-F431 HydrophobicContact CB-CZ 3.8Å; R351-F431 HydrophobicContact CG-CZ 4.1Å
352	L	97.3	Very high	96.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-46.6	173.6	-77.2	-179.8	0	0	0	112	E348 T349 Q354 L355 D356 R363 R364 L367 T389 I392 L393	E348-L352 PolarHBondContact O-N 3.25Å; T349-L352 PolarHBondContact O-N 2.91Å; L352-Q354 VanDerWaalsContact C-N 3.33Å; L352-Q354 PolarHBondContact O-N 3.45Å; L352-L355 PolarHBondContact O-N 3.48Å; L352-D356 PolarHBondContact O-N 3.39Å; L352-R363 HydrophobicContact CD2-CB 3.97Å; L352-R364 HydrophobicContact CB-CG 4.21Å; L352-L367 HydrophobicContact CD1-CD2 3.67Å; L352-T389 HydrophobicContact CD1-CG2 3.62Å; L352-T389 HydrophobicContact CG-CG2 4.27Å; L352-I392 HydrophobicContact CD2-CG2 3.76Å; L352-L393 HydrophobicContact CD2-CD2 3.71Å; L352-L393 HydrophobicContact CD2-CG 4.14Å; L352-L393 HydrophobicContact CG-CD2 3.97Å; L352-L393 HydrophobicContact CG-CG 4.38Å
353	A	97	Very high	96.6	Very high	40 Å²	40	47.8 Å²	47.8	33%	0.331	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-38.8	178.6	0	0	0	0	0	112.4	T349 R350 R351 A357	T349-A353 WeakPolarHBondContact O-CB 3.29Å; T349-A353 PolarHBondContact O-N 3.08Å; R350-A353 PolarHBondContact O-N 2.95Å; R351-A353 PolarHBondContact O-N 3.09Å; A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 2.88Å
354	Q	97.6	Very high	96.6	Very high	103 Å²	103	50.7 Å²	50.7	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-42.6	175.4	-76.4	171.6	-7.1	0	0	112.4	R350 R351 L352 S358	R350-Q354 HydrophobicContact CG-CG 4.46Å; R350-Q354 WeakPolarHBondContact O-CB 3.32Å; R350-Q354 VanDerWaalsContact O-CG 3.23Å; R350-Q354 WeakPolarHBondContact O-CG 3.15Å; R350-Q354 PolarHBondContact O-N 3.01Å; R351-Q354 PolarHBondContact O-N 3.1Å; L352-Q354 VanDerWaalsContact C-N 3.33Å; L352-Q354 PolarHBondContact O-N 3.45Å; Q354-S358 WeakPolarHBondContact O-CB 3.36Å; Q354-S358 PolarHBondContact O-N 2.87Å; Q354-S358 VanDerWaalsContact O-N 3.14Å
355	L	97.7	Very high	96.6	Very high	22 Å²	22	52 Å²	52	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-52.8	177.9	-71.1	171.8	0	0	0	110.4	R351 L352 A357 S358 D359 L393	R351-L355 HydrophobicContact CG-CD1 4.28Å; R351-L355 WeakPolarHBondContact O-CG 3.38Å; R351-L355 PolarHBondContact O-N 3.07Å; L352-L355 PolarHBondContact O-N 3.48Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.44Å; L355-S358 WeakPolarHBondContact O-CB 3.28Å; L355-S358 PolarHBondContact O-N 2.87Å; L355-S358 PolarHBondContact O-OG 2.79Å; L355-D359 PolarHBondContact O-N 3.39Å; L355-L393 HydrophobicContact CD1-CD2 4.13Å
356	D	97.3	Very high	96.8	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-34.9	179.1	-75.1	-11	0	0	0	112.6	L352 S358 D360 G361 R363 R364	L352-D356 PolarHBondContact O-N 3.39Å; D356-S358 PolarHBondContact O-N 3.38Å; D356-D360 WeakPolarHBondContact O-CA 3.33Å; D356-D360 PolarHBondContact O-N 3.37Å; D356-G361 PolarHBondContact O-N 2.83Å; D356-G361 VanDerWaalsContact OD1-C 3.28Å; D356-R363 WeakPolarHBondContact OD1-CB 3.29Å; D356-R363 WeakPolarHBondContact OD1-CD 3.13Å; D356-R363 VanDerWaalsContact OD1-CG 3.22Å; D356-R363 WeakPolarHBondContact OD1-CG 3.34Å; D356-R363 PolarHBondContact OD1-N 2.96Å; D356-R363 IonicContact OD1-NH1 3.93Å; D356-R363 PolarHBondContact OD1-NH1 2.82Å; D356-R363 VanDerWaalsContact OD1-NH1 3.14Å; D356-R363 PolarHBondContact OD2-N 2.94Å; D356-R364 WeakPolarHBondContact OD2-CB 3.41Å; D356-R364 VanDerWaalsContact OD2-CG 3.28Å; D356-R364 WeakPolarHBondContact OD2-CG 3.45Å; D356-R364 PolarHBondContact OD2-N 2.89Å
357	A	96.9	Very high	96.9	Very high	89 Å²	89	47.1 Å²	47.1	74%	0.736	25%	0.249	S	C	*	.	H	α-helix	trans	-68	-23.8	175.1	0	0	0	0	0	113.1	A353 L355	A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 2.88Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.44Å
358	S	96.6	Very high	97	Very high	93 Å²	93	44.3 Å²	44.3	65%	0.65	24%	0.238	S	C	*	.	H	α-helix	trans	-79.6	-28.7	-179.1	74.6	0	0	0	0	113.4	Q354 L355 D356	Q354-S358 WeakPolarHBondContact O-CB 3.36Å; Q354-S358 PolarHBondContact O-N 2.87Å; Q354-S358 VanDerWaalsContact O-N 3.14Å; L355-S358 WeakPolarHBondContact O-CB 3.28Å; L355-S358 PolarHBondContact O-N 2.87Å; L355-S358 PolarHBondContact O-OG 2.79Å; D356-S358 PolarHBondContact O-N 3.38Å
359	D	95.6	Very high	97	Very high	69 Å²	69	44 Å²	44	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-133	7.7	-172.5	62.5	7.8	0	0	0	115	L355 G361 R363	L355-D359 PolarHBondContact O-N 3.39Å; D359-G361 PolarHBondContact O-N 2.92Å; D359-G361 WeakPolarHBondContact OD1-CA 3.06Å; D359-G361 PolarHBondContact OD1-N 2.79Å; D359-R363 VanDerWaalsContact CG-NH1 3.34Å; D359-R363 IonicContact OD1-CZ 2.6Å; D359-R363 IonicContact OD1-NH1 3.58Å; D359-R363 PolarHBondContact OD1-NH1 2.98Å; D359-R363 IonicContact OD2-CZ 2.88Å; D359-R363 IonicContact OD2-NH1 2.87Å; D359-R363 PolarHBondContact OD2-NH1 3.24Å; D359-R363 IonicContact OD2-NH2 3.06Å; D359-R363 PolarHBondContact OD2-NH2 2.78Å
360	D	95.2	Very high	97.1	Very high	109 Å²	109	43.7 Å²	43.7	58%	0.583	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	38.2	-167.8	-171.2	44.8	0	0	0	112.2	D356 K404	D356-D360 WeakPolarHBondContact O-CA 3.33Å; D356-D360 PolarHBondContact O-N 3.37Å; D360-K404 IonicContact OD1-NZ 3.07Å; D360-K404 PolarHBondContact OD1-NZ 2.89Å; D360-K404 IonicContact OD2-NZ 2.7Å; D360-K404 PolarHBondContact OD2-NZ 3.27Å
361	G	95.9	Very high	97.1	Very high	9 Å²	9	38.7 Å²	38.7	9%	0.093	22%	0.216	C	C	.	.			trans	-68.4	165.1	-176.9	0	0	0	0	0	114.3	D356 D359 W402	D356-G361 PolarHBondContact O-N 2.83Å; D356-G361 VanDerWaalsContact OD1-C 3.28Å; D359-G361 PolarHBondContact O-N 2.92Å; D359-G361 WeakPolarHBondContact OD1-CA 3.06Å; D359-G361 PolarHBondContact OD1-N 2.79Å; G361-W402 CarbonylContact C-O 3.55Å; G361-W402 VanDerWaalsContact CA-O 3.28Å; G361-W402 WeakPolarHBondContact CA-O 3.21Å
362	C	96.4	Very high	97.1	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.203	C	C	.	.			trans	-104.6	23.4	-179.6	68.6	0	0	0	0	113.9	L365 M366 W402 K404 L407	C362-L365 HydrophobicContact CB-CB 4.18Å; C362-L365 HydrophobicContact CB-CD2 4.15Å; C362-L365 WeakPolarHBondContact O-CB 3.4Å; C362-L365 PolarHBondContact O-N 2.93Å; C362-M366 WeakPolarHBondContact O-CB 3.42Å; C362-M366 PolarHBondContact O-N 2.77Å; C362-W402 PolarHBondContact N-O 3.29Å; C362-W402 PolarHBondContact SG-O 3.19Å; C362-K404 HydrophobicContact CB-CG 4.39Å; C362-L407 HydrophobicContact CB-CD1 4.26Å
363	R	97.9	Very high	97	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-44.3	-175.1	-61.5	167.6	-174.9	85.8	-4.4	112.3	L352 D356 D359 L365 M366 L367 I392 S396 W402	L352-R363 HydrophobicContact CD2-CB 3.97Å; D356-R363 WeakPolarHBondContact OD1-CB 3.29Å; D356-R363 WeakPolarHBondContact OD1-CD 3.13Å; D356-R363 VanDerWaalsContact OD1-CG 3.22Å; D356-R363 WeakPolarHBondContact OD1-CG 3.34Å; D356-R363 PolarHBondContact OD1-N 2.96Å; D356-R363 IonicContact OD1-NH1 3.93Å; D356-R363 PolarHBondContact OD1-NH1 2.82Å; D356-R363 VanDerWaalsContact OD1-NH1 3.14Å; D356-R363 PolarHBondContact OD2-N 2.94Å; D359-R363 VanDerWaalsContact CG-NH1 3.34Å; D359-R363 IonicContact OD1-CZ 2.6Å; D359-R363 IonicContact OD1-NH1 3.58Å; D359-R363 PolarHBondContact OD1-NH1 2.98Å; D359-R363 IonicContact OD2-CZ 2.88Å; D359-R363 IonicContact OD2-NH1 2.87Å; D359-R363 PolarHBondContact OD2-NH1 3.24Å; D359-R363 IonicContact OD2-NH2 3.06Å; D359-R363 PolarHBondContact OD2-NH2 2.78Å; R363-L365 VanDerWaalsContact C-N 3.32Å; R363-L365 PolarHBondContact O-N 2.89Å; R363-M366 WeakPolarHBondContact O-CB 3.46Å; R363-M366 PolarHBondContact O-N 3.47Å; R363-L367 PolarHBondContact O-N 2.97Å; R363-I392 HydrophobicContact CB-CG2 3.78Å; R363-I392 HydrophobicContact CG-CG2 4.09Å; R363-S396 VanDerWaalsContact CD-OG 3.28Å; R363-S396 WeakPolarHBondContact CD-OG 3.19Å; R363-S396 PolarHBondContact NE-OG 2.95Å; R363-W402 HydrophobicContact CB-CE3 4.28Å; R363-W402 HydrophobicContact CB-CZ3 4.46Å; R363-W402 HydrophobicContact CG-CB 4.34Å; R363-W402 HydrophobicContact CG-CD2 3.48Å; R363-W402 VanDerWaalsContact CG-CD2 3.48Å; R363-W402 HydrophobicContact CG-CE3 3.38Å; R363-W402 HydrophobicContact CG-CG 3.93Å; R363-W402 HydrophobicContact CG-CH2 4.37Å; R363-W402 HydrophobicContact CG-CZ2 4.46Å; R363-W402 HydrophobicContact CG-CZ3 3.86Å; R363-W402 VanDerWaalsContact CZ-CD1 3.4Å
364	R	97.4	Very high	97	Very high	81 Å²	81	33.6 Å²	33.6	31%	0.306	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-36.9	174.6	-70.6	174.6	68.6	-152.7	0.8	111.8	D190 L192 L352 D356 L367 K368	D190-R364 PolarHBondContact O-NH2 3.3Å; L192-R364 HydrophobicContact CD2-CB 4.31Å; L192-R364 HydrophobicContact CD2-CG 4.32Å; L352-R364 HydrophobicContact CB-CG 4.21Å; D356-R364 WeakPolarHBondContact OD2-CB 3.41Å; D356-R364 VanDerWaalsContact OD2-CG 3.28Å; D356-R364 WeakPolarHBondContact OD2-CG 3.45Å; D356-R364 PolarHBondContact OD2-N 2.89Å; R364-L367 PolarHBondContact O-N 2.96Å; R364-K368 WeakPolarHBondContact O-CG 3.46Å; R364-K368 PolarHBondContact O-N 3.42Å
365	L	97.1	Very high	96.8	Very high	41 Å²	41	31.6 Å²	31.6	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-47.9	173.2	173.5	62.7	0	0	0	110.8	Y141 C362 R363 L367 K368 I369 L407	Y141-L365 HydrophobicContact CD1-CD1 3.69Å; Y141-L365 HydrophobicContact CD2-CD1 3.33Å; Y141-L365 HydrophobicContact CE1-CD1 3.56Å; Y141-L365 HydrophobicContact CE2-CD1 3.23Å; Y141-L365 HydrophobicContact CG-CD1 3.57Å; C362-L365 HydrophobicContact CB-CB 4.18Å; C362-L365 HydrophobicContact CB-CD2 4.15Å; C362-L365 WeakPolarHBondContact O-CB 3.4Å; C362-L365 PolarHBondContact O-N 2.93Å; R363-L365 VanDerWaalsContact C-N 3.32Å; R363-L365 PolarHBondContact O-N 2.89Å; L365-L367 VanDerWaalsContact C-N 3.34Å; L365-L367 PolarHBondContact O-N 3.41Å; L365-K368 PolarHBondContact O-N 3.46Å; L365-I369 HydrophobicContact CD1-CD1 4.25Å; L365-I369 HydrophobicContact CG-CD1 4.19Å; L365-I369 WeakPolarHBondContact O-CG1 3.35Å; L365-I369 PolarHBondContact O-N 3.09Å; L365-L407 HydrophobicContact CD2-CD1 4.11Å; L365-L407 HydrophobicContact CD2-CD2 4.07Å; L365-L407 HydrophobicContact CG-CD1 4.27Å
366	M	97.9	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-46.7	175.4	-176.4	56.3	69.6	0	0	111.6	C362 R363 K368 I369 L370 I392 W402 L407 R410 F411	C362-M366 WeakPolarHBondContact O-CB 3.42Å; C362-M366 PolarHBondContact O-N 2.77Å; R363-M366 WeakPolarHBondContact O-CB 3.46Å; R363-M366 PolarHBondContact O-N 3.47Å; M366-K368 VanDerWaalsContact C-N 3.32Å; M366-K368 PolarHBondContact O-N 3.47Å; M366-I369 PolarHBondContact O-N 3.13Å; M366-L370 HydrophobicContact CG-CD1 4.12Å; M366-L370 HydrophobicContact CG-CG 4.45Å; M366-L370 WeakPolarHBondContact O-CG 3.37Å; M366-L370 PolarHBondContact O-N 2.66Å; M366-L370 HydrophobicContact SD-CD1 4.33Å; M366-L370 HydrophobicContact SD-CG 4.19Å; M366-I392 HydrophobicContact CB-CD1 4.15Å; M366-I392 HydrophobicContact CG-CD1 3.93Å; M366-I392 HydrophobicContact CG-CG1 4.31Å; M366-W402 HydrophobicContact CB-CZ3 4.45Å; M366-L407 HydrophobicContact CE-CD1 3.55Å; M366-L407 HydrophobicContact CE-CG 4.27Å; M366-L407 VanDerWaalsContact CE-O 3.27Å; M366-L407 WeakPolarHBondContact CE-O 3.48Å; M366-R410 HydrophobicContact CE-CB 3.71Å; M366-F411 HydrophobicContact CE-CB 3.76Å; M366-F411 HydrophobicContact SD-CB 4.13Å; M366-F411 HydrophobicContact SD-CD2 3.94Å
367	L	98.1	Very high	96.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-44.7	177.4	179.6	58.6	0	0	0	111.4	L192 L352 R363 R364 L365 L370 K371 L388 T389 I392	L192-L367 HydrophobicContact CD1-CD2 4.29Å; L192-L367 HydrophobicContact CD2-CD2 4.16Å; L352-L367 HydrophobicContact CD1-CD2 3.67Å; R363-L367 PolarHBondContact O-N 2.97Å; R364-L367 PolarHBondContact O-N 2.96Å; L365-L367 VanDerWaalsContact C-N 3.34Å; L365-L367 PolarHBondContact O-N 3.41Å; L367-L370 PolarHBondContact O-N 3.06Å; L367-K371 HydrophobicContact CD1-CD 4.11Å; L367-K371 HydrophobicContact CD1-CG 4.04Å; L367-K371 HydrophobicContact CG-CD 4.01Å; L367-K371 HydrophobicContact CG-CG 4.35Å; L367-K371 WeakPolarHBondContact O-CB 3.4Å; L367-K371 VanDerWaalsContact O-CG 3.24Å; L367-K371 WeakPolarHBondContact O-CG 3.44Å; L367-K371 PolarHBondContact O-N 2.8Å; L367-L388 HydrophobicContact CD1-CB 3.71Å; L367-T389 WeakPolarHBondContact CD2-OG1 3.4Å; L367-I392 HydrophobicContact CB-CD1 3.63Å; L367-I392 HydrophobicContact CD1-CD1 4.16Å; L367-I392 HydrophobicContact CG-CD1 4.47Å
368	K	97.9	Very high	96.1	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-44.2	177.2	-71	174.3	82.8	161.2	0	111.3	Y141 V145 D191 V194 R364 L365 M366 K371 A372	Y141-K368 HydrophobicContact CE2-CB 4.09Å; Y141-K368 HydrophobicContact CE2-CD 4.24Å; Y141-K368 PolarHBondContact OH-NZ 3.48Å; V145-K368 HydrophobicContact CG1-CB 3.75Å; V145-K368 WeakPolarHBondContact CG1-O 3.39Å; D191-K368 VanDerWaalsContact CG-NZ 3.33Å; D191-K368 WeakPolarHBondContact O-CD 3.14Å; D191-K368 WeakPolarHBondContact O-CE 3.29Å; D191-K368 PolarHBondContact O-NZ 3.26Å; D191-K368 IonicContact OD1-NZ 2.87Å; D191-K368 PolarHBondContact OD1-NZ 2.79Å; D191-K368 IonicContact OD2-NZ 3.2Å; D191-K368 PolarHBondContact OD2-NZ 3.29Å; V194-K368 HydrophobicContact CG1-CB 3.69Å; V194-K368 HydrophobicContact CG1-CG 3.91Å; V194-K368 WeakPolarHBondContact CG1-O 3.38Å; R364-K368 WeakPolarHBondContact O-CG 3.46Å; R364-K368 PolarHBondContact O-N 3.42Å; L365-K368 PolarHBondContact O-N 3.46Å; M366-K368 VanDerWaalsContact C-N 3.32Å; M366-K368 PolarHBondContact O-N 3.47Å; K368-K371 PolarHBondContact O-N 3.11Å; K368-A372 WeakPolarHBondContact O-CB 3.38Å; K368-A372 PolarHBondContact O-N 2.85Å
369	I	97.6	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-52.6	176.4	-67.6	168.5	0	0	0	110.5	L137 Y140 Y141 L365 M366 K371 A372 V373 L407 F411	L137-I369 HydrophobicContact CD2-CG2 4.09Å; Y140-I369 HydrophobicContact CD1-CG2 4.29Å; Y140-I369 HydrophobicContact CE1-CG2 4.36Å; Y141-I369 HydrophobicContact CD2-CG1 4.05Å; L365-I369 HydrophobicContact CD1-CD1 4.25Å; L365-I369 HydrophobicContact CG-CD1 4.19Å; L365-I369 WeakPolarHBondContact O-CG1 3.35Å; L365-I369 PolarHBondContact O-N 3.09Å; M366-I369 PolarHBondContact O-N 3.13Å; I369-K371 VanDerWaalsContact C-N 3.35Å; I369-K371 PolarHBondContact O-N 2.83Å; I369-A372 PolarHBondContact O-N 3.21Å; I369-A372 VanDerWaalsContact O-N 3.13Å; I369-V373 WeakPolarHBondContact O-CG2 3.24Å; I369-V373 PolarHBondContact O-N 3.41Å; I369-L407 HydrophobicContact CD1-CD1 4.25Å; I369-L407 HydrophobicContact CD1-CD2 4.07Å; I369-F411 HydrophobicContact CG2-CD2 4.15Å; I369-F411 HydrophobicContact CG2-CE2 3.9Å
370	L	97.6	Very high	95.8	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.068	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-39.5	-179.2	-66.7	176.3	0	0	0	112.6	M366 L367 A372 V373 C374 L388 I392 F411 C414	M366-L370 HydrophobicContact CG-CD1 4.12Å; M366-L370 HydrophobicContact CG-CG 4.45Å; M366-L370 WeakPolarHBondContact O-CG 3.37Å; M366-L370 PolarHBondContact O-N 2.66Å; M366-L370 HydrophobicContact SD-CD1 4.33Å; M366-L370 HydrophobicContact SD-CG 4.19Å; L367-L370 PolarHBondContact O-N 3.06Å; L370-A372 VanDerWaalsContact C-N 3.31Å; L370-A372 PolarHBondContact O-N 3.05Å; L370-V373 PolarHBondContact O-N 3.19Å; L370-C374 PolarHBondContact O-N 2.6Å; L370-C374 PolarHBondContact O-SG 2.82Å; L370-L388 HydrophobicContact CB-CD1 4.09Å; L370-L388 HydrophobicContact CB-CD2 4.12Å; L370-L388 HydrophobicContact CD1-CD2 4.42Å; L370-I392 HydrophobicContact CD1-CD1 4.22Å; L370-I392 HydrophobicContact CD1-CG1 4.49Å; L370-F411 HydrophobicContact CD2-CD2 4.13Å; L370-F411 HydrophobicContact CD2-CE2 3.89Å; L370-C414 HydrophobicContact CD1-CB 3.99Å
371	K	97.3	Very high	95.6	Very high	30 Å²	30	28.5 Å²	28.5	13%	0.13	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-41.2	174.6	-76.7	179.6	68.2	174.5	0	111.6	L192 V194 L367 K368 I369 C374 K375 A385 L388	L192-K371 WeakPolarHBondContact O-CE 3.27Å; L192-K371 PolarHBondContact O-NZ 3.25Å; V194-K371 HydrophobicContact CG1-CB 4.37Å; V194-K371 HydrophobicContact CG2-CB 3.74Å; L367-K371 HydrophobicContact CD1-CD 4.11Å; L367-K371 HydrophobicContact CD1-CG 4.04Å; L367-K371 HydrophobicContact CG-CD 4.01Å; L367-K371 HydrophobicContact CG-CG 4.35Å; L367-K371 WeakPolarHBondContact O-CB 3.4Å; L367-K371 VanDerWaalsContact O-CG 3.24Å; L367-K371 WeakPolarHBondContact O-CG 3.44Å; L367-K371 PolarHBondContact O-N 2.8Å; K368-K371 PolarHBondContact O-N 3.11Å; I369-K371 VanDerWaalsContact C-N 3.35Å; I369-K371 PolarHBondContact O-N 2.83Å; K371-C374 PolarHBondContact O-N 3.07Å; K371-K375 WeakPolarHBondContact O-CB 3.34Å; K371-K375 PolarHBondContact O-N 2.81Å; K371-A385 HydrophobicContact CD-CB 4.09Å; K371-A385 HydrophobicContact CG-CB 4.43Å; K371-L388 HydrophobicContact CG-CD1 3.9Å
372	A	96.9	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-41.1	178.7	0	0	0	0	0	111.7	Y140 V145 V194 V195 K368 I369 L370 C374 K375 L376	Y140-A372 HydrophobicContact CE1-CB 4.04Å; V145-A372 HydrophobicContact CB-CB 4.2Å; V145-A372 HydrophobicContact CG1-CB 4.02Å; V145-A372 HydrophobicContact CG2-CB 3.54Å; V194-A372 HydrophobicContact CB-CB 4.22Å; V194-A372 HydrophobicContact CG2-CB 4.16Å; V195-A372 HydrophobicContact CG2-CB 3.96Å; K368-A372 WeakPolarHBondContact O-CB 3.38Å; K368-A372 PolarHBondContact O-N 2.85Å; I369-A372 PolarHBondContact O-N 3.21Å; I369-A372 VanDerWaalsContact O-N 3.13Å; L370-A372 VanDerWaalsContact C-N 3.31Å; L370-A372 PolarHBondContact O-N 3.05Å; A372-C374 VanDerWaalsContact C-N 3.29Å; A372-C374 PolarHBondContact O-N 3.34Å; A372-K375 PolarHBondContact O-N 3.37Å; A372-L376 WeakPolarHBondContact O-CB 3.45Å; A372-L376 WeakPolarHBondContact O-CG 3.25Å; A372-L376 PolarHBondContact O-N 3.44Å
373	V	96.1	Very high	95.3	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	15%	0.148	C	C	.	.	H	α-helix	trans	-54.9	-48.3	172.5	171.1	0	0	0	0	110.1	Y140 I369 L370 S377 L463 L464	Y140-V373 HydrophobicContact CE1-CG2 4.12Å; Y140-V373 PolarHBondContact OH-N 3.14Å; I369-V373 WeakPolarHBondContact O-CG2 3.24Å; I369-V373 PolarHBondContact O-N 3.41Å; L370-V373 PolarHBondContact O-N 3.19Å; V373-S377 WeakPolarHBondContact O-CB 3.48Å; V373-S377 PolarHBondContact O-N 2.93Å; V373-S377 PolarHBondContact O-OG 2.81Å; V373-L463 HydrophobicContact CG1-CB 3.84Å; V373-L463 HydrophobicContact CG1-CD1 4.38Å; V373-L463 HydrophobicContact CG1-CD2 3.91Å; V373-L463 HydrophobicContact CG1-CG 4.26Å; V373-L463 HydrophobicContact CG2-CB 4.34Å; V373-L464 HydrophobicContact CG2-CD2 4.38Å
374	C	95.6	Very high	95	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-38.9	179.9	-61.2	0	0	0	0	112.8	L370 K371 A372 M380 R381	L370-C374 PolarHBondContact O-N 2.6Å; L370-C374 PolarHBondContact O-SG 2.82Å; K371-C374 PolarHBondContact O-N 3.07Å; A372-C374 VanDerWaalsContact C-N 3.29Å; A372-C374 PolarHBondContact O-N 3.34Å; C374-M380 HydrophobicContact CB-CB 4.2Å; C374-M380 CarbonylContact O-C 3.52Å; C374-R381 VanDerWaalsContact O-CA 3.32Å; C374-R381 WeakPolarHBondContact O-CA 3.36Å; C374-R381 VanDerWaalsContact O-CG 3.32Å; C374-R381 WeakPolarHBondContact O-CG 3.37Å; C374-R381 PolarHBondContact O-N 2.94Å
375	K	94.3	Very high	94.8	Very high	61 Å²	61	34.7 Å²	34.7	27%	0.265	18%	0.179	S	C	.	.	H	α-helix	trans	-67.5	-42.2	178.8	-174	166.9	171.7	-179.2	0	111.8	V194 V195 S196 D198 K371 A372 R381	V194-K375 HydrophobicContact CG2-CD 4.5Å; V194-K375 PolarHBondContact O-NZ 2.84Å; V195-K375 HydrophobicContact CB-CD 3.99Å; V195-K375 HydrophobicContact CG2-CB 4.42Å; V195-K375 HydrophobicContact CG2-CD 4.05Å; V195-K375 HydrophobicContact CG2-CG 4.37Å; S196-K375 PolarHBondContact OG-NZ 3.49Å; S196-K375 VanDerWaalsContact OG-NZ 3.09Å; D198-K375 IonicContact OD1-NZ 3.21Å; D198-K375 PolarHBondContact OD1-NZ 3.21Å; D198-K375 VanDerWaalsContact OD2-CE 3.31Å; D198-K375 WeakPolarHBondContact OD2-CE 3.47Å; D198-K375 IonicContact OD2-NZ 2.77Å; D198-K375 PolarHBondContact OD2-NZ 3.4Å; K371-K375 WeakPolarHBondContact O-CB 3.34Å; K371-K375 PolarHBondContact O-N 2.81Å; A372-K375 PolarHBondContact O-N 3.37Å; K375-R381 PolarHBondContact O-NE 2.88Å
376	L	93.2	Very high	94.7	Very high	58 Å²	58	34.3 Å²	34.3	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-81.7	-29.4	-176.2	-66.4	176.5	0	0	0	113.2	Y140 R144 V195 A372 P378	Y140-L376 HydrophobicContact CE2-CD1 4.43Å; R144-L376 HydrophobicContact CB-CD1 4.34Å; V195-L376 HydrophobicContact CG1-CD2 3.82Å; V195-L376 HydrophobicContact CG2-CD1 4.11Å; V195-L376 HydrophobicContact CG2-CD2 4.13Å; V195-L376 HydrophobicContact CG2-CG 3.92Å; A372-L376 WeakPolarHBondContact O-CB 3.45Å; A372-L376 WeakPolarHBondContact O-CG 3.25Å; A372-L376 PolarHBondContact O-N 3.44Å; L376-P378 WeakPolarHBondContact O-CD 3.36Å
377	S	92.3	Very high	94.7	Very high	14 Å²	14	34.8 Å²	34.8	10%	0.098	19%	0.185	C	C	.	.	S	Bend	trans	-93.6	111.9	-178.4	-59	0	0	0	0	111.6	V373 P379 M380 R381	V373-S377 WeakPolarHBondContact O-CB 3.48Å; V373-S377 PolarHBondContact O-N 2.93Å; V373-S377 PolarHBondContact O-OG 2.81Å; S377-P379 VanDerWaalsContact C-CD 3.45Å; S377-M380 PolarHBondContact O-N 2.72Å; S377-R381 PolarHBondContact O-N 3.34Å
378	P	91.6	Very high	94.7	Very high	80 Å²	80	34.9 Å²	34.9	52%	0.519	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-49.5	-45.6	-177	-25.3	32.6	0	0	0	116.5	L376 M380 R381	L376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-M380 VanDerWaalsContact C-N 3.26Å; P378-M380 PolarHBondContact O-N 2.81Å; P378-R381 PolarHBondContact O-N 3.26Å
379	P	91.8	Very high	94.7	Very high	29 Å²	29	34.9 Å²	34.9	19%	0.188	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-72.2	-20.5	-178.6	28.7	-34.3	0	0	0	113	S377 P382 Q448 M449 M452	S377-P379 VanDerWaalsContact C-CD 3.45Å; P379-P382 WeakPolarHBondContact O-CD 3.47Å; P379-Q448 HydrophobicContact CB-CB 4.2Å; P379-M449 WeakPolarHBondContact O-CG 3.48Å; P379-M452 HydrophobicContact CG-CE 3.19Å; P379-M452 HydrophobicContact CG-SD 3.51Å; P379-M452 VanDerWaalsContact CG-SD 3.51Å
380	M	93	Very high	94.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-90.1	-11	178.7	-63.7	-64.2	-61.1	0	0	113.3	C374 S377 P378 P382 L383 L418 M449 M452 L453	C374-M380 HydrophobicContact CB-CB 4.2Å; C374-M380 CarbonylContact O-C 3.52Å; S377-M380 PolarHBondContact O-N 2.72Å; P378-M380 VanDerWaalsContact C-N 3.26Å; P378-M380 PolarHBondContact O-N 2.81Å; M380-P382 VanDerWaalsContact C-N 3.32Å; M380-L383 HydrophobicContact CE-CD2 3.98Å; M380-L383 WeakPolarHBondContact O-CB 3.46Å; M380-L383 PolarHBondContact O-N 2.78Å; M380-L418 HydrophobicContact CE-CD2 4.15Å; M380-M449 HydrophobicContact SD-CB 3.84Å; M380-M449 HydrophobicContact SD-CG 3.71Å; M380-M449 HydrophobicContact SD-SD 4.39Å; M380-M452 HydrophobicContact CG-SD 3.69Å; M380-M452 HydrophobicContact SD-SD 4.5Å; M380-L453 HydrophobicContact CE-CD1 4.14Å; M380-L453 HydrophobicContact CE-CD2 3.9Å; M380-L453 HydrophobicContact CE-CG 4.17Å; M380-L453 HydrophobicContact SD-CD1 4.39Å; M380-L453 HydrophobicContact SD-CD2 4.24Å; M380-L453 HydrophobicContact SD-CG 4.09Å
381	R	92.6	Very high	94.8	Very high	153 Å²	153	34.3 Å²	34.3	58%	0.577	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.7	-179.8	-71.9	-179.8	-170	154.8	4.9	115.6	C374 K375 S377 P378 L383	C374-R381 VanDerWaalsContact O-CA 3.32Å; C374-R381 WeakPolarHBondContact O-CA 3.36Å; C374-R381 VanDerWaalsContact O-CG 3.32Å; C374-R381 WeakPolarHBondContact O-CG 3.37Å; C374-R381 PolarHBondContact O-N 2.94Å; K375-R381 PolarHBondContact O-NE 2.88Å; S377-R381 PolarHBondContact O-N 3.34Å; P378-R381 PolarHBondContact O-N 3.26Å; R381-L383 PolarHBondContact O-N 2.81Å
382	P	93.4	Very high	94.8	Very high	39 Å²	39	32.9 Å²	32.9	25%	0.253	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.5	176.1	-25	36.3	0	0	0	113.3	P379 M380 Q384 L441 Q445	P379-P382 WeakPolarHBondContact O-CD 3.47Å; M380-P382 VanDerWaalsContact C-N 3.32Å; P382-Q384 PolarHBondContact O-N 2.83Å; P382-Q384 VanDerWaalsContact O-N 3.1Å; P382-L441 HydrophobicContact CB-CD2 3.61Å; P382-Q445 HydrophobicContact CB-CG 4.48Å; P382-Q445 HydrophobicContact CG-CG 4.04Å
383	L	92.8	Very high	94.9	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.177	C	C	.	.	S	Bend	trans	-77	99.3	179.9	-163.3	67.4	0	0	0	110.5	M380 R381 P387 L388 L418 L438 M449	M380-L383 HydrophobicContact CE-CD2 3.98Å; M380-L383 WeakPolarHBondContact O-CB 3.46Å; M380-L383 PolarHBondContact O-N 2.78Å; R381-L383 PolarHBondContact O-N 2.81Å; L383-P387 HydrophobicContact CD1-CB 3.61Å; L383-P387 HydrophobicContact CD1-CG 3.95Å; L383-P387 HydrophobicContact CG-CB 4.24Å; L383-L388 HydrophobicContact CD2-CD2 3.57Å; L383-L388 HydrophobicContact CD2-CG 4.27Å; L383-L388 HydrophobicContact CG-CD2 4.22Å; L383-L388 HydrophobicContact CG-CG 4.4Å; L383-L418 HydrophobicContact CD2-CD1 4.02Å; L383-L418 HydrophobicContact CD2-CD2 3.69Å; L383-L418 HydrophobicContact CD2-CG 4.48Å; L383-L438 HydrophobicContact CD1-CD2 4.09Å; L383-M449 HydrophobicContact CB-SD 4.07Å
384	Q	90.2	Very high	95	Very high	146 Å²	146	35.7 Å²	35.7	68%	0.682	19%	0.189	S	C	*	.			trans	-73	175.8	179.4	-60.1	-172.3	1.2	0	0	112.4	P382 A386 P387	P382-Q384 PolarHBondContact O-N 2.83Å; P382-Q384 VanDerWaalsContact O-N 3.1Å; Q384-A386 PolarHBondContact O-N 2.92Å; Q384-P387 WeakPolarHBondContact O-CD 3.41Å
385	A	94.1	Very high	95.1	Very high	37 Å²	37	35.8 Å²	35.8	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-66.8	-30	-175.7	0	0	0	0	0	114.6	K371 L388 T389	K371-A385 HydrophobicContact CD-CB 4.09Å; K371-A385 HydrophobicContact CG-CB 4.43Å; A385-L388 PolarHBondContact O-N 3.36Å; A385-T389 WeakPolarHBondContact O-CB 3.38Å; A385-T389 PolarHBondContact O-N 3.32Å; A385-T389 PolarHBondContact O-OG1 2.76Å
386	A	95.6	Very high	95.2	Very high	33 Å²	33	33.6 Å²	33.6	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-64.9	-50.1	-176.7	0	0	0	0	0	112.7	Q384 L388 T389 N390	Q384-A386 PolarHBondContact O-N 2.92Å; A386-L388 VanDerWaalsContact C-N 3.34Å; A386-L388 PolarHBondContact O-N 3.1Å; A386-T389 PolarHBondContact O-N 3.16Å; A386-N390 PolarHBondContact O-N 2.93Å; A386-N390 PolarHBondContact O-ND2 3.29Å
387	P	96.9	Very high	95.4	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.071	19%	0.193	C	C	.	.	H	α-helix	trans	-48.9	-50.8	169.8	-29.9	32.2	0	0	0	113.5	L383 Q384 T389 N390 L391 L427 L437 L438	L383-P387 HydrophobicContact CD1-CB 3.61Å; L383-P387 HydrophobicContact CD1-CG 3.95Å; L383-P387 HydrophobicContact CG-CB 4.24Å; Q384-P387 WeakPolarHBondContact O-CD 3.41Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 3.49Å; P387-N390 PolarHBondContact O-N 3.33Å; P387-L391 WeakPolarHBondContact O-CB 3.49Å; P387-L391 PolarHBondContact O-N 2.86Å; P387-L427 HydrophobicContact CB-CD2 3.91Å; P387-L427 WeakPolarHBondContact O-CD2 3.47Å; P387-L437 HydrophobicContact CG-CB 4.13Å; P387-L438 HydrophobicContact CB-CD2 4.49Å
388	L	98.1	Very high	95.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-38.3	-178.5	-61.4	176.3	0	0	0	112.7	L367 L370 K371 L383 A385 A386 I392	L367-L388 HydrophobicContact CD1-CB 3.71Å; L370-L388 HydrophobicContact CB-CD1 4.09Å; L370-L388 HydrophobicContact CB-CD2 4.12Å; L370-L388 HydrophobicContact CD1-CD2 4.42Å; K371-L388 HydrophobicContact CG-CD1 3.9Å; L383-L388 HydrophobicContact CD2-CD2 3.57Å; L383-L388 HydrophobicContact CD2-CG 4.27Å; L383-L388 HydrophobicContact CG-CD2 4.22Å; L383-L388 HydrophobicContact CG-CG 4.4Å; A385-L388 PolarHBondContact O-N 3.36Å; A386-L388 VanDerWaalsContact C-N 3.34Å; A386-L388 PolarHBondContact O-N 3.1Å; L388-I392 WeakPolarHBondContact O-CG1 3.36Å; L388-I392 PolarHBondContact O-N 3.49Å
389	T	98.3	Very high	95.6	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-45.5	178	-58.9	0	0	0	0	111.1	E348 L352 L367 A385 A386 P387 I392 L393	E348-T389 HydrophobicContact CB-CG2 3.74Å; E348-T389 HydrophobicContact CG-CG2 4.29Å; L352-T389 HydrophobicContact CD1-CG2 3.62Å; L352-T389 HydrophobicContact CG-CG2 4.27Å; L367-T389 WeakPolarHBondContact CD2-OG1 3.4Å; A385-T389 WeakPolarHBondContact O-CB 3.38Å; A385-T389 PolarHBondContact O-N 3.32Å; A385-T389 PolarHBondContact O-OG1 2.76Å; A386-T389 PolarHBondContact O-N 3.16Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 3.49Å; T389-I392 PolarHBondContact O-N 2.76Å; T389-L393 HydrophobicContact CG2-CD1 4.16Å; T389-L393 WeakPolarHBondContact O-CG 3.46Å; T389-L393 PolarHBondContact O-N 3Å
390	N	98.4	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-36	-179.7	-75.8	-94.4	0	0	0	112	E348 A386 P387 I392 L393 H394 S429 Y430 L437	E348-N390 PolarHBondContact OE1-ND2 3.19Å; A386-N390 PolarHBondContact O-N 2.93Å; A386-N390 PolarHBondContact O-ND2 3.29Å; P387-N390 PolarHBondContact O-N 3.33Å; N390-I392 VanDerWaalsContact C-N 3.34Å; N390-I392 PolarHBondContact O-N 3.01Å; N390-L393 PolarHBondContact O-N 2.86Å; N390-H394 PolarHBondContact O-CD2 3.47Å; N390-H394 PolarHBondContact O-N 3.49Å; N390-S429 WeakPolarHBondContact OD1-CA 3.14Å; N390-S429 PolarHBondContact OD1-OG 3.24Å; N390-Y430 WeakPolarHBondContact OD1-CB 3.44Å; N390-Y430 PolarHBondContact OD1-N 2.91Å; N390-L437 HydrophobicContact CB-CD1 3.59Å; N390-L437 VanDerWaalsContact CG-CD1 3.47Å; N390-L437 WeakPolarHBondContact ND2-CD1 3.32Å
391	L	98.2	Very high	95.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-54.2	-50.1	170.5	177.6	69.5	0	0	0	111.5	P387 L393 H394 L395 C414 E417 L418 L427	P387-L391 WeakPolarHBondContact O-CB 3.49Å; P387-L391 PolarHBondContact O-N 2.86Å; L391-L393 VanDerWaalsContact C-N 3.35Å; L391-L393 PolarHBondContact O-N 3.31Å; L391-H394 PolarHBondContact O-N 2.87Å; L391-L395 HydrophobicContact CD1-CD1 4.48Å; L391-L395 HydrophobicContact CG-CD1 4.34Å; L391-L395 WeakPolarHBondContact O-CB 3.28Å; L391-L395 PolarHBondContact O-N 3.31Å; L391-C414 HydrophobicContact CD2-CB 4.21Å; L391-E417 HydrophobicContact CD1-CB 3.7Å; L391-L418 HydrophobicContact CD2-CB 4.03Å; L391-L427 HydrophobicContact CB-CD2 4.47Å
392	I	98.3	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-38.2	179.4	-67.9	168	0	0	0	111.3	L352 R363 M366 L367 L370 L388 T389 N390 L395 S396 W402	L352-I392 HydrophobicContact CD2-CG2 3.76Å; R363-I392 HydrophobicContact CB-CG2 3.78Å; R363-I392 HydrophobicContact CG-CG2 4.09Å; M366-I392 HydrophobicContact CB-CD1 4.15Å; M366-I392 HydrophobicContact CG-CD1 3.93Å; M366-I392 HydrophobicContact CG-CG1 4.31Å; L367-I392 HydrophobicContact CB-CD1 3.63Å; L367-I392 HydrophobicContact CD1-CD1 4.16Å; L367-I392 HydrophobicContact CG-CD1 4.47Å; L370-I392 HydrophobicContact CD1-CD1 4.22Å; L370-I392 HydrophobicContact CD1-CG1 4.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.36Å; L388-I392 PolarHBondContact O-N 3.49Å; T389-I392 PolarHBondContact O-N 2.76Å; N390-I392 VanDerWaalsContact C-N 3.34Å; N390-I392 PolarHBondContact O-N 3.01Å; I392-L395 PolarHBondContact O-N 3.31Å; I392-S396 WeakPolarHBondContact O-CB 3.2Å; I392-S396 PolarHBondContact O-N 3.29Å; I392-S396 PolarHBondContact O-OG 3.09Å; I392-W402 HydrophobicContact CG2-CH2 3.84Å; I392-W402 HydrophobicContact CG2-CZ3 4.15Å
393	L	98.4	Very high	95.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-44.9	177.1	-72.1	173	0	0	0	111.9	E348 R351 L352 L355 T389 N390 L391 S396 D397 Y430 F431	E348-L393 HydrophobicContact CB-CD1 4.46Å; E348-L393 HydrophobicContact CG-CD1 4.33Å; R351-L393 HydrophobicContact CB-CD2 4.14Å; R351-L393 HydrophobicContact CG-CD2 3.57Å; L352-L393 HydrophobicContact CD2-CD2 3.71Å; L352-L393 HydrophobicContact CD2-CG 4.14Å; L352-L393 HydrophobicContact CG-CD2 3.97Å; L352-L393 HydrophobicContact CG-CG 4.38Å; L355-L393 HydrophobicContact CD1-CD2 4.13Å; T389-L393 HydrophobicContact CG2-CD1 4.16Å; T389-L393 WeakPolarHBondContact O-CG 3.46Å; T389-L393 PolarHBondContact O-N 3Å; N390-L393 PolarHBondContact O-N 2.86Å; L391-L393 VanDerWaalsContact C-N 3.35Å; L391-L393 PolarHBondContact O-N 3.31Å; L393-S396 WeakPolarHBondContact O-CB 3.35Å; L393-S396 PolarHBondContact O-N 2.97Å; L393-S396 VanDerWaalsContact O-N 3.15Å; L393-D397 PolarHBondContact O-N 3.49Å; L393-Y430 HydrophobicContact CB-CD2 3.62Å; L393-Y430 HydrophobicContact CB-CE2 4.08Å; L393-Y430 HydrophobicContact CB-CG 3.88Å; L393-Y430 HydrophobicContact CD1-CD1 4.38Å; L393-Y430 HydrophobicContact CD1-CG 4.16Å; L393-F431 HydrophobicContact CD1-CE2 4.15Å
394	H	97.9	Very high	96	Very high	61 Å²	61	42.2 Å²	42.2	28%	0.282	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-44.5	175.3	-71.3	-54.3	0	0	0	112	N390 L391 S396 D397 H428 Y430	N390-H394 PolarHBondContact O-CD2 3.47Å; N390-H394 PolarHBondContact O-N 3.49Å; L391-H394 PolarHBondContact O-N 2.87Å; H394-S396 PolarHBondContact O-N 3.47Å; H394-D397 PolarHBondContact O-N 2.95Å; H394-D397 VanDerWaalsContact O-N 3.13Å; H394-H428 PolarHBondContact NE2-O 2.99Å; H394-Y430 AromaticContact CE1-CD2 3.84Å; H394-Y430 AromaticContact ND1-CD2 3.63Å
395	L	97.5	Very high	96.1	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-30.5	173.6	-84	173.5	0	0	0	112.5	L391 I392 D397 S398 E399 W402 C414 E417	L391-L395 HydrophobicContact CD1-CD1 4.48Å; L391-L395 HydrophobicContact CG-CD1 4.34Å; L391-L395 WeakPolarHBondContact O-CB 3.28Å; L391-L395 PolarHBondContact O-N 3.31Å; I392-L395 PolarHBondContact O-N 3.31Å; L395-D397 PolarHBondContact O-N 3.2Å; L395-S398 PolarHBondContact O-N 3.35Å; L395-S398 PolarHBondContact O-OG 2.89Å; L395-S398 VanDerWaalsContact O-OG 3.13Å; L395-E399 VanDerWaalsContact O-CB 3.31Å; L395-E399 WeakPolarHBondContact O-CB 3.14Å; L395-E399 PolarHBondContact O-N 3.3Å; L395-W402 HydrophobicContact CB-CH2 4.22Å; L395-W402 HydrophobicContact CB-CZ2 3.9Å; L395-C414 HydrophobicContact CD1-CB 4.38Å; L395-C414 VanDerWaalsContact CD1-SG 3.55Å; L395-E417 HydrophobicContact CD1-CG 4.29Å; L395-E417 HydrophobicContact CD2-CG 3.69Å; L395-E417 HydrophobicContact CG-CG 4.18Å
396	S	97.3	Very high	96.2	Very high	15 Å²	15	40.8 Å²	40.8	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-71.2	-19.5	178.2	-62.2	0	0	0	0	113.5	R363 I392 L393 H394 W402	R363-S396 VanDerWaalsContact CD-OG 3.28Å; R363-S396 WeakPolarHBondContact CD-OG 3.19Å; R363-S396 PolarHBondContact NE-OG 2.95Å; I392-S396 WeakPolarHBondContact O-CB 3.2Å; I392-S396 PolarHBondContact O-N 3.29Å; I392-S396 PolarHBondContact O-OG 3.09Å; L393-S396 WeakPolarHBondContact O-CB 3.35Å; L393-S396 PolarHBondContact O-N 2.97Å; L393-S396 VanDerWaalsContact O-N 3.15Å; H394-S396 PolarHBondContact O-N 3.47Å; S396-W402 WeakPolarHBondContact OG-CZ2 3.44Å
397	D	96.1	Very high	96.2	Very high	99 Å²	99	39.4 Å²	39.4	53%	0.529	22%	0.224	S	C	.	.	H	α-helix	trans	-81.5	-28.5	175	-75.3	-6	0	0	0	111.7	L393 H394 L395 Y430	L393-D397 PolarHBondContact O-N 3.49Å; H394-D397 PolarHBondContact O-N 2.95Å; H394-D397 VanDerWaalsContact O-N 3.13Å; L395-D397 PolarHBondContact O-N 3.2Å; D397-Y430 PolarHBondContact OD1-OH 2.99Å; D397-Y430 WeakPolarHBondContact OD2-CE2 3.39Å; D397-Y430 PolarHBondContact OD2-OH 3.29Å; D397-Y430 VanDerWaalsContact OD2-OH 3.04Å
398	S	93.8	Very high	96.1	Very high	86 Å²	86	40.9 Å²	40.9	60%	0.601	23%	0.231	S	C	*	.	H	α-helix	trans	-92.2	-33.9	178.1	56.8	0	0	0	0	113.4	L395	L395-S398 PolarHBondContact O-N 3.35Å; L395-S398 PolarHBondContact O-OG 2.89Å; L395-S398 VanDerWaalsContact O-OG 3.13Å
399	E	95.1	Very high	96	Very high	56 Å²	56	43.9 Å²	43.9	26%	0.262	25%	0.249	S	C	.	.			trans	-109.3	127.3	-174.8	-67.5	-69.7	169.4	0	0	111.9	L395 W402 R410 Q413	L395-E399 VanDerWaalsContact O-CB 3.31Å; L395-E399 WeakPolarHBondContact O-CB 3.14Å; L395-E399 PolarHBondContact O-N 3.3Å; E399-W402 PolarHBondContact O-NE1 3.5Å; E399-R410 IonicContact OE1-NH1 3.77Å; E399-R410 IonicContact OE2-CZ 2.66Å; E399-R410 IonicContact OE2-NH1 3.89Å; E399-R410 PolarHBondContact OE2-NH1 3.34Å; E399-R410 IonicContact OE2-NH2 2.98Å; E399-R410 PolarHBondContact OE2-NH2 3.32Å; E399-Q413 PolarHBondContact OE1-NE2 3.48Å
400	S	89.9	Confident	95.9	Very high	108 Å²	108	44.1 Å²	44.1	76%	0.755	25%	0.249	S	C	*	.			trans	-92.1	-38	-177.8	52.7	0	0	0	0	113.6	W402	S400-W402 PolarHBondContact O-N 3.15Å
401	D	94.9	Very high	95.9	Very high	67 Å²	67	44.1 Å²	44.1	36%	0.358	25%	0.249	S	C	.	.			trans	-82.1	100.9	-178	177.3	18.9	0	0	0	111.2	S403 S406 R410	D401-S403 WeakPolarHBondContact OD1-CB 3.31Å; D401-S403 PolarHBondContact OD1-N 3.04Å; D401-S403 PolarHBondContact OD1-OG 3.3Å; D401-S406 WeakPolarHBondContact OD2-CB 3.38Å; D401-S406 PolarHBondContact OD2-OG 2.82Å; D401-R410 PolarHBondContact O-NE 3.37Å; D401-R410 PolarHBondContact O-NH2 2.94Å
402	W	97.4	Very high	95.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.008	27%	0.268	C	S	.	.			trans	-109.5	23.1	171.1	-73.6	83.3	0	0	0	112.1	G361 C362 R363 M366 I392 L395 S396 E399 S400 R410	G361-W402 CarbonylContact C-O 3.55Å; G361-W402 VanDerWaalsContact CA-O 3.28Å; G361-W402 WeakPolarHBondContact CA-O 3.21Å; C362-W402 PolarHBondContact N-O 3.29Å; C362-W402 PolarHBondContact SG-O 3.19Å; R363-W402 HydrophobicContact CB-CE3 4.28Å; R363-W402 HydrophobicContact CB-CZ3 4.46Å; R363-W402 HydrophobicContact CG-CB 4.34Å; R363-W402 HydrophobicContact CG-CD2 3.48Å; R363-W402 VanDerWaalsContact CG-CD2 3.48Å; R363-W402 HydrophobicContact CG-CE3 3.38Å; R363-W402 HydrophobicContact CG-CG 3.93Å; R363-W402 HydrophobicContact CG-CH2 4.37Å; R363-W402 HydrophobicContact CG-CZ2 4.46Å; R363-W402 HydrophobicContact CG-CZ3 3.86Å; R363-W402 VanDerWaalsContact CZ-CD1 3.4Å; M366-W402 HydrophobicContact CB-CZ3 4.45Å; I392-W402 HydrophobicContact CG2-CH2 3.84Å; I392-W402 HydrophobicContact CG2-CZ3 4.15Å; L395-W402 HydrophobicContact CB-CH2 4.22Å; L395-W402 HydrophobicContact CB-CZ2 3.9Å; S396-W402 WeakPolarHBondContact OG-CZ2 3.44Å; E399-W402 PolarHBondContact O-NE1 3.5Å; S400-W402 PolarHBondContact O-N 3.15Å; W402-R410 HydrophobicContact CE3-CG 4.14Å; W402-R410 HydrophobicContact CZ3-CB 4.2Å; W402-R410 HydrophobicContact CZ3-CG 4.25Å
403	S	95.8	Very high	95.7	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	28%	0.278	S	S	.	.			trans	-61.4	154.1	177.3	71.5	0	0	0	0	111.2	D401 N405 S406	D401-S403 WeakPolarHBondContact OD1-CB 3.31Å; D401-S403 PolarHBondContact OD1-N 3.04Å; D401-S403 PolarHBondContact OD1-OG 3.3Å; S403-N405 PolarHBondContact O-N 3.3Å; S403-S406 PolarHBondContact O-N 2.87Å
404	K	93.4	Very high	95.6	Very high	103 Å²	103	50.4 Å²	50.4	45%	0.448	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.3	-24.8	178.6	-69.1	165.3	-177	136	0	112.8	Q134 D360 C362 S406 L407	Q134-K404 PolarHBondContact NE2-O 3.27Å; D360-K404 IonicContact OD1-NZ 3.07Å; D360-K404 PolarHBondContact OD1-NZ 2.89Å; D360-K404 IonicContact OD2-NZ 2.7Å; D360-K404 PolarHBondContact OD2-NZ 3.27Å; C362-K404 HydrophobicContact CB-CG 4.39Å; K404-S406 VanDerWaalsContact C-N 3.3Å; K404-L407 WeakPolarHBondContact O-CB 3.4Å
405	N	93.7	Very high	95.6	Very high	135 Å²	135	47.7 Å²	47.7	72%	0.722	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-73.8	-21.9	-179.8	-66	-18.9	0	0	0	113.3	S403	S403-N405 PolarHBondContact O-N 3.3Å
406	S	94.3	Very high	95.6	Very high	19 Å²	19	50.3 Å²	50.3	13%	0.133	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-101.8	14.4	-177.2	-57.3	0	0	0	0	112.1	D401 S403 K404 D408 V409 R410	D401-S406 WeakPolarHBondContact OD2-CB 3.38Å; D401-S406 PolarHBondContact OD2-OG 2.82Å; S403-S406 PolarHBondContact O-N 2.87Å; K404-S406 VanDerWaalsContact C-N 3.3Å; S406-D408 VanDerWaalsContact C-N 3.34Å; S406-D408 PolarHBondContact O-N 3.38Å; S406-V409 PolarHBondContact O-N 3.12Å; S406-R410 VanDerWaalsContact O-CG 3.26Å; S406-R410 WeakPolarHBondContact O-CG 3.4Å; S406-R410 PolarHBondContact O-N 3.5Å
407	L	96	Very high	95.6	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-41.5	-175.7	177.9	76.3	0	0	0	111.9	L137 C362 L365 M366 I369 K404 R410 F411	L137-L407 HydrophobicContact CB-CD2 4.14Å; L137-L407 HydrophobicContact CD1-CG 4.34Å; C362-L407 HydrophobicContact CB-CD1 4.26Å; L365-L407 HydrophobicContact CD2-CD1 4.11Å; L365-L407 HydrophobicContact CD2-CD2 4.07Å; L365-L407 HydrophobicContact CG-CD1 4.27Å; M366-L407 HydrophobicContact CE-CD1 3.55Å; M366-L407 HydrophobicContact CE-CG 4.27Å; M366-L407 VanDerWaalsContact CE-O 3.27Å; M366-L407 WeakPolarHBondContact CE-O 3.48Å; I369-L407 HydrophobicContact CD1-CD1 4.25Å; I369-L407 HydrophobicContact CD1-CD2 4.07Å; K404-L407 WeakPolarHBondContact O-CB 3.4Å; L407-R410 PolarHBondContact O-N 3.27Å; L407-F411 VanDerWaalsContact O-CB 3.31Å; L407-F411 WeakPolarHBondContact O-CB 3.3Å; L407-F411 PolarHBondContact O-N 2.84Å
408	D	95.4	Very high	95.6	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-45	175.8	62.4	-26.3	0	0	0	113	L133 Q134 L137 S406 F411 Q412	L133-D408 HydrophobicContact CB-CB 4.17Å; L133-D408 HydrophobicContact CD2-CB 4.09Å; L133-D408 HydrophobicContact CG-CB 3.98Å; Q134-D408 HydrophobicContact CB-CB 4.11Å; L137-D408 HydrophobicContact CD1-CB 4.18Å; S406-D408 VanDerWaalsContact C-N 3.34Å; S406-D408 PolarHBondContact O-N 3.38Å; D408-F411 WeakPolarHBondContact O-CB 3.37Å; D408-F411 PolarHBondContact O-N 3.22Å; D408-Q412 WeakPolarHBondContact O-CG 3.27Å; D408-Q412 PolarHBondContact O-N 3.1Å
409	V	95.9	Very high	95.7	Very high	65 Å²	65	45.6 Å²	45.6	39%	0.394	25%	0.247	S	C	.	.	H	α-helix	trans	-62.1	-46.5	175.8	-179.5	0	0	0	0	110.5	S406 F411 Q412 Q413	S406-V409 PolarHBondContact O-N 3.12Å; V409-F411 VanDerWaalsContact C-N 3.31Å; V409-F411 PolarHBondContact O-N 2.91Å; V409-Q412 PolarHBondContact O-N 3.48Å; V409-Q413 WeakPolarHBondContact O-CG 3.24Å; V409-Q413 PolarHBondContact O-N 3.27Å
410	R	97.1	Very high	95.8	Very high	13 Å²	13	43.7 Å²	43.7	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-35.7	178	-65.3	-65.9	168.2	-113.1	4	111.9	M366 E399 D401 W402 S406 L407 Q413 C414	M366-R410 HydrophobicContact CE-CB 3.71Å; E399-R410 IonicContact OE1-NH1 3.77Å; E399-R410 IonicContact OE2-CZ 2.66Å; E399-R410 IonicContact OE2-NH1 3.89Å; E399-R410 PolarHBondContact OE2-NH1 3.34Å; E399-R410 IonicContact OE2-NH2 2.98Å; E399-R410 PolarHBondContact OE2-NH2 3.32Å; D401-R410 PolarHBondContact O-NE 3.37Å; D401-R410 PolarHBondContact O-NH2 2.94Å; W402-R410 HydrophobicContact CE3-CG 4.14Å; W402-R410 HydrophobicContact CZ3-CB 4.2Å; W402-R410 HydrophobicContact CZ3-CG 4.25Å; S406-R410 VanDerWaalsContact O-CG 3.26Å; S406-R410 WeakPolarHBondContact O-CG 3.4Å; S406-R410 PolarHBondContact O-N 3.5Å; L407-R410 PolarHBondContact O-N 3.27Å; R410-Q413 VanDerWaalsContact NH1-CD 3.34Å; R410-Q413 PolarHBondContact O-N 2.81Å; R410-C414 WeakPolarHBondContact O-CB 3.43Å; R410-C414 PolarHBondContact O-N 3Å; R410-C414 PolarHBondContact O-SG 2.95Å
411	F	97.2	Very high	96.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-46.8	176.1	-179.7	-102.7	0	0	0	111.1	L133 L137 M366 I369 L370 L407 D408 V409 Q413 C414 I415 P460 L463 L464	L133-F411 HydrophobicContact CD2-CD1 4.49Å; L137-F411 HydrophobicContact CD1-CB 3.8Å; L137-F411 HydrophobicContact CD1-CD1 4.24Å; L137-F411 HydrophobicContact CD1-CG 3.98Å; L137-F411 HydrophobicContact CD2-CD1 4.06Å; L137-F411 HydrophobicContact CD2-CD2 3.87Å; L137-F411 HydrophobicContact CD2-CE1 4.14Å; L137-F411 HydrophobicContact CD2-CE2 3.98Å; L137-F411 HydrophobicContact CD2-CG 3.91Å; L137-F411 HydrophobicContact CD2-CZ 4.11Å; M366-F411 HydrophobicContact CE-CB 3.76Å; M366-F411 HydrophobicContact SD-CB 4.13Å; M366-F411 HydrophobicContact SD-CD2 3.94Å; I369-F411 HydrophobicContact CG2-CD2 4.15Å; I369-F411 HydrophobicContact CG2-CE2 3.9Å; L370-F411 HydrophobicContact CD2-CD2 4.13Å; L370-F411 HydrophobicContact CD2-CE2 3.89Å; L407-F411 VanDerWaalsContact O-CB 3.31Å; L407-F411 WeakPolarHBondContact O-CB 3.3Å; L407-F411 PolarHBondContact O-N 2.84Å; D408-F411 WeakPolarHBondContact O-CB 3.37Å; D408-F411 PolarHBondContact O-N 3.22Å; V409-F411 VanDerWaalsContact C-N 3.31Å; V409-F411 PolarHBondContact O-N 2.91Å; F411-Q413 VanDerWaalsContact C-N 3.35Å; F411-Q413 PolarHBondContact O-N 3.26Å; F411-C414 WeakPolarHBondContact O-CB 3.35Å; F411-C414 PolarHBondContact O-N 3.09Å; F411-I415 HydrophobicContact CD1-CD1 3.87Å; F411-I415 HydrophobicContact CE1-CD1 3.38Å; F411-I415 HydrophobicContact CE1-CG1 4.44Å; F411-I415 HydrophobicContact CE2-CD1 4.48Å; F411-I415 HydrophobicContact CZ-CD1 3.74Å; F411-I415 WeakPolarHBondContact O-CG1 3.05Å; F411-I415 PolarHBondContact O-N 3.2Å; F411-P460 HydrophobicContact CE1-CB 4.32Å; F411-L463 HydrophobicContact CZ-CD1 4.21Å; F411-L464 HydrophobicContact CZ-CD2 4.15Å
412	Q	95.9	Very high	96.2	Very high	86 Å²	86	37.2 Å²	37.2	40%	0.402	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-38.9	176.6	-70.4	-178.6	-30.2	0	0	112.6	L133 D408 V409 I415 T416	L133-Q412 HydrophobicContact CD2-CG 3.84Å; D408-Q412 WeakPolarHBondContact O-CG 3.27Å; D408-Q412 PolarHBondContact O-N 3.1Å; V409-Q412 PolarHBondContact O-N 3.48Å; Q412-I415 PolarHBondContact O-N 2.85Å; Q412-T416 WeakPolarHBondContact O-CB 3.49Å; Q412-T416 PolarHBondContact O-N 3.14Å; Q412-T416 PolarHBondContact O-OG1 2.74Å
413	Q	96.6	Very high	96.1	Very high	47 Å²	47	42.7 Å²	42.7	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-44.6	173.9	-74.9	-178.9	-30.8	0	0	112	E399 V409 R410 F411 I415 T416 E417	E399-Q413 PolarHBondContact OE1-NE2 3.48Å; V409-Q413 WeakPolarHBondContact O-CG 3.24Å; V409-Q413 PolarHBondContact O-N 3.27Å; R410-Q413 VanDerWaalsContact NH1-CD 3.34Å; R410-Q413 PolarHBondContact O-N 2.81Å; F411-Q413 VanDerWaalsContact C-N 3.35Å; F411-Q413 PolarHBondContact O-N 3.26Å; Q413-I415 VanDerWaalsContact C-N 3.29Å; Q413-I415 PolarHBondContact O-N 3.03Å; Q413-T416 PolarHBondContact O-N 3.19Å; Q413-T416 VanDerWaalsContact O-N 3.12Å; Q413-E417 WeakPolarHBondContact O-CB 3.5Å; Q413-E417 WeakPolarHBondContact O-CG 3.5Å; Q413-E417 PolarHBondContact O-N 3.42Å
414	C	97.4	Very high	96.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-56.1	-43.4	174.1	-74.3	0	0	0	0	111.7	L370 L391 L395 R410 F411 L418	L370-C414 HydrophobicContact CD1-CB 3.99Å; L391-C414 HydrophobicContact CD2-CB 4.21Å; L395-C414 HydrophobicContact CD1-CB 4.38Å; L395-C414 VanDerWaalsContact CD1-SG 3.55Å; R410-C414 WeakPolarHBondContact O-CB 3.43Å; R410-C414 PolarHBondContact O-N 3Å; R410-C414 PolarHBondContact O-SG 2.95Å; F411-C414 WeakPolarHBondContact O-CB 3.35Å; F411-C414 PolarHBondContact O-N 3.09Å; C414-L418 WeakPolarHBondContact O-CB 3.29Å; C414-L418 PolarHBondContact O-N 2.83Å
415	I	96.9	Very high	96.1	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-46.5	175.8	-67.1	172.3	0	0	0	110.6	F411 Q412 Q413 L418 I419 L453 A456 M457 L463	F411-I415 HydrophobicContact CD1-CD1 3.87Å; F411-I415 HydrophobicContact CE1-CD1 3.38Å; F411-I415 HydrophobicContact CE1-CG1 4.44Å; F411-I415 HydrophobicContact CE2-CD1 4.48Å; F411-I415 HydrophobicContact CZ-CD1 3.74Å; F411-I415 WeakPolarHBondContact O-CG1 3.05Å; F411-I415 PolarHBondContact O-N 3.2Å; Q412-I415 PolarHBondContact O-N 2.85Å; Q413-I415 VanDerWaalsContact C-N 3.29Å; Q413-I415 PolarHBondContact O-N 3.03Å; I415-L418 PolarHBondContact O-N 2.91Å; I415-I419 HydrophobicContact CG2-CD1 3.93Å; I415-I419 VanDerWaalsContact O-CG1 3.27Å; I415-I419 WeakPolarHBondContact O-CG1 3.47Å; I415-I419 PolarHBondContact O-N 2.85Å; I415-L453 HydrophobicContact CG2-CB 4.29Å; I415-L453 HydrophobicContact CG2-CD2 4.18Å; I415-A456 HydrophobicContact CD1-CB 4.48Å; I415-M457 HydrophobicContact CB-SD 4.24Å; I415-M457 HydrophobicContact CG2-CG 4.09Å; I415-M457 HydrophobicContact CG2-SD 3.6Å; I415-M457 VanDerWaalsContact CG2-SD 3.6Å; I415-L463 HydrophobicContact CD1-CD1 3.54Å; I415-L463 HydrophobicContact CG1-CD1 4.19Å
416	T	97	Very high	96.2	Very high	65 Å²	65	43 Å²	43	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-48.2	-178.2	-55.5	0	0	0	0	111.8	Q412 Q413 I419 G420 M457	Q412-T416 WeakPolarHBondContact O-CB 3.49Å; Q412-T416 PolarHBondContact O-N 3.14Å; Q412-T416 PolarHBondContact O-OG1 2.74Å; Q413-T416 PolarHBondContact O-N 3.19Å; Q413-T416 VanDerWaalsContact O-N 3.12Å; T416-I419 WeakPolarHBondContact O-CB 3.45Å; T416-I419 PolarHBondContact O-N 3.39Å; T416-G420 PolarHBondContact O-N 3.46Å; T416-M457 VanDerWaalsContact OG1-CE 3.29Å; T416-M457 WeakPolarHBondContact OG1-CE 3.2Å
417	E	97.3	Very high	96.3	Very high	87 Å²	87	42.1 Å²	42.1	41%	0.407	22%	0.215	S	C	.	.	H	α-helix	trans	-66.1	-40	177.7	-70.7	-56.8	147.1	0	0	111.5	L391 L395 Q413 I419 G420 H421	L391-E417 HydrophobicContact CD1-CB 3.7Å; L395-E417 HydrophobicContact CD1-CG 4.29Å; L395-E417 HydrophobicContact CD2-CG 3.69Å; L395-E417 HydrophobicContact CG-CG 4.18Å; Q413-E417 WeakPolarHBondContact O-CB 3.5Å; Q413-E417 WeakPolarHBondContact O-CG 3.5Å; Q413-E417 PolarHBondContact O-N 3.42Å; E417-I419 VanDerWaalsContact C-N 3.31Å; E417-I419 PolarHBondContact O-N 2.78Å; E417-G420 PolarHBondContact O-N 2.94Å; E417-G420 VanDerWaalsContact O-N 3.1Å; E417-H421 PolarHBondContact O-CD2 3.02Å; E417-H421 PolarHBondContact O-N 2.78Å
418	L	97	Very high	96.4	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-40	176.4	-177.4	59.7	0	0	0	111.6	M380 L383 L391 C414 I415 H421 L422 L453	M380-L418 HydrophobicContact CE-CD2 4.15Å; L383-L418 HydrophobicContact CD2-CD1 4.02Å; L383-L418 HydrophobicContact CD2-CD2 3.69Å; L383-L418 HydrophobicContact CD2-CG 4.48Å; L391-L418 HydrophobicContact CD2-CB 4.03Å; C414-L418 WeakPolarHBondContact O-CB 3.29Å; C414-L418 PolarHBondContact O-N 2.83Å; I415-L418 PolarHBondContact O-N 2.91Å; L418-H421 PolarHBondContact O-N 3.2Å; L418-L422 HydrophobicContact CD1-CG 4.45Å; L418-L422 HydrophobicContact CG-CD1 4.21Å; L418-L422 WeakPolarHBondContact O-CB 3.42Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.34Å; L418-L422 PolarHBondContact O-N 3.39Å; L418-L453 HydrophobicContact CB-CD1 4.41Å; L418-L453 HydrophobicContact CD2-CD1 3.66Å; L418-L453 HydrophobicContact CD2-CD2 4.26Å; L418-L453 HydrophobicContact CG-CD1 3.78Å
419	I	96.4	Very high	96.5	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.046	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-50.1	171.3	-68.9	164.4	0	0	0	109.8	I415 T416 E417 H421 L422 E423 L453 Y454 M457	I415-I419 HydrophobicContact CG2-CD1 3.93Å; I415-I419 VanDerWaalsContact O-CG1 3.27Å; I415-I419 WeakPolarHBondContact O-CG1 3.47Å; I415-I419 PolarHBondContact O-N 2.85Å; T416-I419 WeakPolarHBondContact O-CB 3.45Å; T416-I419 PolarHBondContact O-N 3.39Å; E417-I419 VanDerWaalsContact C-N 3.31Å; E417-I419 PolarHBondContact O-N 2.78Å; I419-H421 VanDerWaalsContact C-N 3.31Å; I419-H421 PolarHBondContact O-N 3.21Å; I419-L422 PolarHBondContact O-N 3.3Å; I419-L422 VanDerWaalsContact O-N 3.14Å; I419-E423 HydrophobicContact CG2-CG 4.37Å; I419-E423 WeakPolarHBondContact O-CG 3.45Å; I419-E423 PolarHBondContact O-N 3.1Å; I419-L453 HydrophobicContact CD1-CB 3.89Å; I419-L453 HydrophobicContact CG1-CB 3.55Å; I419-L453 HydrophobicContact CG1-CD1 4.22Å; I419-Y454 HydrophobicContact CD1-CD1 4.35Å; I419-Y454 HydrophobicContact CD1-CG 4.47Å; I419-Y454 HydrophobicContact CG2-CD2 4.2Å; I419-Y454 HydrophobicContact CG2-CE1 3.99Å; I419-Y454 HydrophobicContact CG2-CE2 3.5Å; I419-Y454 WeakPolarHBondContact CG2-OH 3.35Å; I419-M457 HydrophobicContact CD1-CG 3.63Å; I419-M457 HydrophobicContact CD1-SD 4.27Å
420	G	96.9	Very high	96.6	Very high	16 Å²	16	43.6 Å²	43.6	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-41.5	178.9	0	0	0	0	0	113.3	T416 E417 E423 Q424	T416-G420 PolarHBondContact O-N 3.46Å; E417-G420 PolarHBondContact O-N 2.94Å; E417-G420 VanDerWaalsContact O-N 3.1Å; G420-E423 PolarHBondContact O-N 3.23Å; G420-Q424 WeakPolarHBondContact O-CB 3.32Å; G420-Q424 VanDerWaalsContact O-CG 3.26Å; G420-Q424 WeakPolarHBondContact O-CG 3.26Å; G420-Q424 PolarHBondContact O-N 3.32Å; G420-Q424 VanDerWaalsContact O-N 3.07Å
421	H	97.2	Very high	96.5	Very high	33 Å²	33	45.9 Å²	45.9	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-38.3	175.9	-74.2	-58.5	0	0	0	113.1	E417 L418 I419 Q424 E425 A426 L427 L438	E417-H421 PolarHBondContact O-CD2 3.02Å; E417-H421 PolarHBondContact O-N 2.78Å; L418-H421 PolarHBondContact O-N 3.2Å; I419-H421 VanDerWaalsContact C-N 3.31Å; I419-H421 PolarHBondContact O-N 3.21Å; H421-Q424 PolarHBondContact O-N 3.05Å; H421-E425 WeakPolarHBondContact O-CA 3.19Å; H421-E425 PolarHBondContact O-N 3.4Å; H421-A426 PolarHBondContact ND1-O 2.88Å; H421-A426 PolarHBondContact O-N 2.99Å; H421-L427 HydrophobicContact CB-CB 4.21Å; H421-L438 HydrophobicContact CB-CD1 4.24Å; H421-L438 WeakPolarHBondContact O-CD1 3.49Å
422	L	95.9	Very high	96.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-39.6	174.8	-72.8	168.9	0	0	0	111.4	L418 I419 Q424 E425 L438 L441 V446 M449 L453	L418-L422 HydrophobicContact CD1-CG 4.45Å; L418-L422 HydrophobicContact CG-CD1 4.21Å; L418-L422 WeakPolarHBondContact O-CB 3.42Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.34Å; L418-L422 PolarHBondContact O-N 3.39Å; I419-L422 PolarHBondContact O-N 3.3Å; I419-L422 VanDerWaalsContact O-N 3.14Å; L422-Q424 VanDerWaalsContact C-N 3.32Å; L422-Q424 PolarHBondContact O-N 3.12Å; L422-E425 PolarHBondContact O-N 2.96Å; L422-E425 VanDerWaalsContact O-N 3.1Å; L422-L438 HydrophobicContact CD2-CD1 4.27Å; L422-L441 HydrophobicContact CD2-CD1 4.48Å; L422-V446 HydrophobicContact CB-CG1 4.23Å; L422-V446 HydrophobicContact CD2-CG1 4.18Å; L422-V446 HydrophobicContact CD2-CG2 4.41Å; L422-M449 HydrophobicContact CD1-CB 4.07Å; L422-M449 HydrophobicContact CD2-CE 4.06Å; L422-L453 HydrophobicContact CD1-CD1 3.51Å
423	E	94.7	Very high	96.5	Very high	118 Å²	118	47.9 Å²	47.9	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-66.6	-33.7	176.3	-71.2	-172.6	148.6	0	0	113.5	I419 G420 Y454	I419-E423 HydrophobicContact CG2-CG 4.37Å; I419-E423 WeakPolarHBondContact O-CG 3.45Å; I419-E423 PolarHBondContact O-N 3.1Å; G420-E423 PolarHBondContact O-N 3.23Å; E423-Y454 PolarHBondContact OE1-OH 3.5Å
424	Q	95.1	Very high	96.4	Very high	140 Å²	140	49.9 Å²	49.9	65%	0.654	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.3	174.4	-66.8	170.2	32.3	0	0	112.3	G420 H421 L422 A426	G420-Q424 WeakPolarHBondContact O-CB 3.32Å; G420-Q424 VanDerWaalsContact O-CG 3.26Å; G420-Q424 WeakPolarHBondContact O-CG 3.26Å; G420-Q424 PolarHBondContact O-N 3.32Å; G420-Q424 VanDerWaalsContact O-N 3.07Å; H421-Q424 PolarHBondContact O-N 3.05Å; L422-Q424 VanDerWaalsContact C-N 3.32Å; L422-Q424 PolarHBondContact O-N 3.12Å; Q424-A426 HydrophobicContact CB-CB 4.35Å; Q424-A426 WeakPolarHBondContact O-CB 3.35Å; Q424-A426 PolarHBondContact O-N 2.74Å; Q424-A426 VanDerWaalsContact O-N 3.09Å
425	E	93.8	Very high	96.3	Very high	127 Å²	127	50.4 Å²	50.4	59%	0.593	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	25.4	-171	-60.9	175.1	-173.3	0	0	112.8	H421 L422 N436	H421-E425 WeakPolarHBondContact O-CA 3.19Å; H421-E425 PolarHBondContact O-N 3.4Å; L422-E425 PolarHBondContact O-N 2.96Å; L422-E425 VanDerWaalsContact O-N 3.1Å; E425-N436 PolarHBondContact O-ND2 2.71Å
426	A	95.7	Very high	96.3	Very high	19 Å²	19	51.4 Å²	51.4	16%	0.157	27%	0.274	C	S	.	.			trans	-141.8	114.5	-169.5	0	0	0	0	0	112.4	H421 Q424 N436	H421-A426 PolarHBondContact ND1-O 2.88Å; H421-A426 PolarHBondContact O-N 2.99Å; Q424-A426 HydrophobicContact CB-CB 4.35Å; Q424-A426 WeakPolarHBondContact O-CB 3.35Å; Q424-A426 PolarHBondContact O-N 2.74Å; Q424-A426 VanDerWaalsContact O-N 3.09Å; A426-N436 WeakPolarHBondContact CA-OD1 3.49Å
427	L	97.1	Very high	96.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.			trans	-127.8	105.3	163.5	177.2	58.3	0	0	0	108.7	P387 L391 H421 N436 L437 L438	P387-L427 HydrophobicContact CB-CD2 3.91Å; P387-L427 WeakPolarHBondContact O-CD2 3.47Å; L391-L427 HydrophobicContact CB-CD2 4.47Å; H421-L427 HydrophobicContact CB-CB 4.21Å; L427-N436 PolarHBondContact N-OD1 3.35Å; L427-N436 PolarHBondContact O-OD1 3.38Å; L427-L437 WeakPolarHBondContact O-CB 3.5Å; L427-L437 PolarHBondContact O-N 2.92Å; L427-L438 HydrophobicContact CB-CD1 3.87Å; L427-L438 HydrophobicContact CB-CD2 4.24Å; L427-L438 HydrophobicContact CB-CG 3.74Å
428	H	97.3	Very high	96.1	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.417	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-77.6	144.1	-177.4	-65.3	-74.1	0	0	0	111.8	H394 P433 V435	H394-H428 PolarHBondContact NE2-O 2.99Å; H428-P433 PolarHBondContact ND1-O 3.09Å; H428-V435 CarbonylContact C-O 3.33Å; H428-V435 VanDerWaalsContact CA-O 3.26Å; H428-V435 WeakPolarHBondContact CA-O 3.5Å
429	S	97.6	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.			trans	-64.5	137.4	171.3	172.9	0	0	0	0	111	L344 N390 F431 K432 P433 V435	L344-S429 VanDerWaalsContact CD1-OG 3.25Å; L344-S429 WeakPolarHBondContact CD1-OG 3.41Å; N390-S429 WeakPolarHBondContact OD1-CA 3.14Å; N390-S429 PolarHBondContact OD1-OG 3.24Å; S429-F431 VanDerWaalsContact C-N 3.35Å; S429-F431 PolarHBondContact O-N 2.86Å; S429-F431 PolarHBondContact OG-N 2.92Å; S429-K432 WeakPolarHBondContact CB-O 3.24Å; S429-K432 CarbonylContact O-C 3.59Å; S429-K432 PolarHBondContact OG-N 2.76Å; S429-P433 WeakPolarHBondContact O-CA 3.27Å; S429-V435 PolarHBondContact N-O 3.08Å
430	Y	97.7	Very high	95.4	Very high	50 Å²	50	55.3 Å²	55.3	20%	0.196	31%	0.313	C	S	.	.	S	Bend	trans	-59.3	-43	177.2	-170.9	-91.6	0	0	0	112.2	N390 L393 H394 D397	N390-Y430 WeakPolarHBondContact OD1-CB 3.44Å; N390-Y430 PolarHBondContact OD1-N 2.91Å; L393-Y430 HydrophobicContact CB-CD2 3.62Å; L393-Y430 HydrophobicContact CB-CE2 4.08Å; L393-Y430 HydrophobicContact CB-CG 3.88Å; L393-Y430 HydrophobicContact CD1-CD1 4.38Å; L393-Y430 HydrophobicContact CD1-CG 4.16Å; H394-Y430 AromaticContact CE1-CD2 3.84Å; H394-Y430 AromaticContact ND1-CD2 3.63Å; D397-Y430 PolarHBondContact OD1-OH 2.99Å; D397-Y430 WeakPolarHBondContact OD2-CE2 3.39Å; D397-Y430 PolarHBondContact OD2-OH 3.29Å; D397-Y430 VanDerWaalsContact OD2-OH 3.04Å
431	F	96.8	Very high	95.3	Very high	62 Å²	62	56 Å²	56	27%	0.272	31%	0.313	S	S	.	.	S	Bend	trans	-91.6	-22.1	-178	-65.7	-73.9	0	0	0	114	L344 W347 E348 R351 L393 S429	L344-F431 HydrophobicContact CD2-CB 4.44Å; W347-F431 HydrophobicContact CB-CD2 4.02Å; W347-F431 HydrophobicContact CB-CE1 4.37Å; W347-F431 HydrophobicContact CB-CE2 3.88Å; W347-F431 HydrophobicContact CB-CG 4.34Å; W347-F431 HydrophobicContact CB-CZ 4.06Å; W347-F431 HydrophobicContact CE3-CB 3.85Å; W347-F431 AromaticContact CE3-CD1 3.98Å; W347-F431 HydrophobicContact CE3-CD1 3.98Å; W347-F431 AromaticContact CE3-CG 3.88Å; W347-F431 HydrophobicContact CE3-CG 3.88Å; W347-F431 HydrophobicContact CZ3-CB 4.27Å; E348-F431 HydrophobicContact CB-CE2 4.5Å; E348-F431 HydrophobicContact CG-CD2 4Å; E348-F431 HydrophobicContact CG-CE2 3.96Å; R351-F431 HydrophobicContact CB-CE2 4.44Å; R351-F431 HydrophobicContact CB-CZ 3.8Å; R351-F431 HydrophobicContact CG-CZ 4.1Å; L393-F431 HydrophobicContact CD1-CE2 4.15Å; S429-F431 VanDerWaalsContact C-N 3.35Å; S429-F431 PolarHBondContact O-N 2.86Å; S429-F431 PolarHBondContact OG-N 2.92Å
432	K	96.3	Very high	95.1	Very high	39 Å²	39	57 Å²	57	17%	0.17	32%	0.323	C	S	.	.			trans	-132	78.9	176.8	-73.6	-68.2	-165.6	170.9	0	109.8	E219 P226 L227 L344 S429 A434 V435	E219-K432 IonicContact OE1-NZ 3.5Å; E219-K432 PolarHBondContact OE1-NZ 3.1Å; P226-K432 HydrophobicContact CB-CD 4.47Å; L227-K432 HydrophobicContact CD2-CB 4.39Å; L227-K432 HydrophobicContact CD2-CG 4.22Å; L344-K432 HydrophobicContact CD1-CB 4.24Å; L344-K432 HydrophobicContact CD1-CG 4.24Å; L344-K432 HydrophobicContact CD2-CG 4.11Å; S429-K432 WeakPolarHBondContact CB-O 3.24Å; S429-K432 CarbonylContact O-C 3.59Å; S429-K432 PolarHBondContact OG-N 2.76Å; K432-A434 PolarHBondContact O-N 3.38Å; K432-V435 HydrophobicContact CB-CB 4.46Å; K432-V435 HydrophobicContact CB-CG2 3.79Å; K432-V435 VanDerWaalsContact O-CB 3.31Å; K432-V435 WeakPolarHBondContact O-CB 3.48Å; K432-V435 PolarHBondContact O-N 3.4Å
433	P	95.2	Very high	95	Very high	89 Å²	89	63.6 Å²	63.6	58%	0.578	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25	-174	-28.1	36	0	0	0	115.2	H428 S429 V435	H428-P433 PolarHBondContact ND1-O 3.09Å; S429-P433 WeakPolarHBondContact O-CA 3.27Å; P433-V435 PolarHBondContact O-N 2.86Å
434	A	94.6	Very high	95	Very high	88 Å²	88	63.4 Å²	63.4	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12	174	0	0	0	0	0	114.1	P226 K432	P226-A434 HydrophobicContact CB-CB 4.47Å; P226-A434 HydrophobicContact CG-CB 4.11Å; K432-A434 PolarHBondContact O-N 3.38Å
435	V	95.9	Very high	94.9	Very high	13 Å²	13	59.8 Å²	59.8	8%	0.079	34%	0.34	C	S	.	.			trans	-96.3	119.7	-179.9	179.3	0	0	0	0	109.5	P226 L227 H428 S429 K432 P433 L437	P226-V435 HydrophobicContact CB-CG2 4.09Å; P226-V435 HydrophobicContact CG-CG2 3.45Å; P226-V435 VanDerWaalsContact CG-CG2 3.45Å; L227-V435 HydrophobicContact CD1-CG1 3.71Å; L227-V435 HydrophobicContact CD1-CG2 3.99Å; L227-V435 HydrophobicContact CD2-CG2 3.82Å; L227-V435 HydrophobicContact CG-CG1 4.23Å; L227-V435 HydrophobicContact CG-CG2 3.54Å; H428-V435 CarbonylContact C-O 3.33Å; H428-V435 VanDerWaalsContact CA-O 3.26Å; H428-V435 WeakPolarHBondContact CA-O 3.5Å; S429-V435 PolarHBondContact N-O 3.08Å; K432-V435 HydrophobicContact CB-CB 4.46Å; K432-V435 HydrophobicContact CB-CG2 3.79Å; K432-V435 VanDerWaalsContact O-CB 3.31Å; K432-V435 WeakPolarHBondContact O-CB 3.48Å; K432-V435 PolarHBondContact O-N 3.4Å; P433-V435 PolarHBondContact O-N 2.86Å; V435-L437 HydrophobicContact CG1-CD2 3.98Å
436	N	96.4	Very high	95	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.134	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-89.6	120.6	165.3	-177.6	12.3	0	0	0	110.4	E425 A426 L427 L438 N439	E425-N436 PolarHBondContact O-ND2 2.71Å; A426-N436 WeakPolarHBondContact CA-OD1 3.49Å; L427-N436 PolarHBondContact N-OD1 3.35Å; L427-N436 PolarHBondContact O-OD1 3.38Å; N436-L438 VanDerWaalsContact C-N 3.3Å; N436-L438 PolarHBondContact O-N 3.28Å; N436-L438 PolarHBondContact OD1-N 3.43Å; N436-L438 VanDerWaalsContact OD1-N 3.08Å; N436-N439 PolarHBondContact ND2-OD1 3.27Å
437	L	95.9	Very high	94.9	Very high	38 Å²	38	57.2 Å²	57.2	20%	0.199	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.2	-177.9	-59.2	174.3	0	0	0	113.2	P387 N390 L427 V435	P387-L437 HydrophobicContact CG-CB 4.13Å; N390-L437 HydrophobicContact CB-CD1 3.59Å; N390-L437 VanDerWaalsContact CG-CD1 3.47Å; N390-L437 WeakPolarHBondContact ND2-CD1 3.32Å; L427-L437 WeakPolarHBondContact O-CB 3.5Å; L427-L437 PolarHBondContact O-N 2.92Å; V435-L437 HydrophobicContact CG1-CD2 3.98Å
438	L	95.4	Very high	94.8	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.042	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-8.2	177.7	-56.6	-177.7	0	0	0	113.6	L383 P387 H421 L422 L427 N436 G440 L441	L383-L438 HydrophobicContact CD1-CD2 4.09Å; P387-L438 HydrophobicContact CB-CD2 4.49Å; H421-L438 HydrophobicContact CB-CD1 4.24Å; H421-L438 WeakPolarHBondContact O-CD1 3.49Å; L422-L438 HydrophobicContact CD2-CD1 4.27Å; L427-L438 HydrophobicContact CB-CD1 3.87Å; L427-L438 HydrophobicContact CB-CD2 4.24Å; L427-L438 HydrophobicContact CB-CG 3.74Å; N436-L438 VanDerWaalsContact C-N 3.3Å; N436-L438 PolarHBondContact O-N 3.28Å; N436-L438 PolarHBondContact OD1-N 3.43Å; N436-L438 VanDerWaalsContact OD1-N 3.08Å; L438-G440 PolarHBondContact O-N 2.83Å; L438-L441 HydrophobicContact CB-CD1 4.1Å; L438-L441 HydrophobicContact CD2-CD1 3.72Å; L438-L441 HydrophobicContact CG-CD1 4.44Å; L438-L441 WeakPolarHBondContact O-CB 3.38Å; L438-L441 PolarHBondContact O-N 3.01Å
439	N	91	Very high	94.6	Very high	125 Å²	125	58.1 Å²	58.1	67%	0.668	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.7	-176.3	-84.9	-0.3	0	0	0	114.7	N436 L441	N436-N439 PolarHBondContact ND2-OD1 3.27Å; N439-L441 VanDerWaalsContact C-N 3.32Å
440	G	87.4	Confident	94.5	Very high	76 Å²	76	58.7 Å²	58.7	78%	0.784	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-5.9	178.9	0	0	0	0	0	114.7	L438	L438-G440 PolarHBondContact O-N 2.83Å
441	L	93.4	Very high	94.2	Very high	32 Å²	32	62.9 Å²	62.9	17%	0.168	36%	0.358	C	S	.	.	S	Bend	trans	-89.2	141.4	-177.4	-60.9	169.1	0	0	0	110.8	P382 L422 L438 N439 V446 M449	P382-L441 HydrophobicContact CB-CD2 3.61Å; L422-L441 HydrophobicContact CD2-CD1 4.48Å; L438-L441 HydrophobicContact CB-CD1 4.1Å; L438-L441 HydrophobicContact CD2-CD1 3.72Å; L438-L441 HydrophobicContact CG-CD1 4.44Å; L438-L441 WeakPolarHBondContact O-CB 3.38Å; L438-L441 PolarHBondContact O-N 3.01Å; N439-L441 VanDerWaalsContact C-N 3.32Å; L441-V446 HydrophobicContact CB-CG2 3.93Å; L441-V446 HydrophobicContact CD1-CG2 4.42Å; L441-M449 HydrophobicContact CD1-CE 3.66Å; L441-M449 HydrophobicContact CD2-CE 3.97Å; L441-M449 HydrophobicContact CG-CE 4.31Å
442	S	94.3	Very high	94.1	Very high	54 Å²	54	61.8 Å²	61.8	38%	0.378	35%	0.354	S	S	.	.			trans	-80.2	157.5	171.3	71.5	0	0	0	0	111.7	D444 Q445 V446	S442-D444 VanDerWaalsContact C-N 3.26Å; S442-D444 PolarHBondContact O-N 3.37Å; S442-Q445 WeakPolarHBondContact O-CB 3.3Å; S442-Q445 PolarHBondContact O-N 3.36Å; S442-Q445 VanDerWaalsContact OG-CG 3.28Å; S442-Q445 WeakPolarHBondContact OG-CG 3.48Å; S442-Q445 PolarHBondContact OG-N 3.14Å; S442-V446 WeakPolarHBondContact O-CG2 3.42Å; S442-V446 PolarHBondContact O-N 3.48Å
443	E	93.3	Very high	94.1	Very high	143 Å²	143	60.1 Å²	60.1	67%	0.668	35%	0.347	S	S	*	.	H	α-helix	trans	-53.5	-44.3	175.5	-170.6	179.6	177.1	0	0	111.5	Q445 V446 D447	E443-Q445 VanDerWaalsContact C-N 3.31Å; E443-Q445 PolarHBondContact O-N 3.37Å; E443-V446 PolarHBondContact O-N 3.09Å; E443-D447 PolarHBondContact O-N 3.16Å
444	D	94	Very high	94.1	Very high	113 Å²	113	61 Å²	61	60%	0.604	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-38.2	176.1	-69	-31.8	0	0	0	112.9	S442 Q448	S442-D444 VanDerWaalsContact C-N 3.26Å; S442-D444 PolarHBondContact O-N 3.37Å; D444-Q448 WeakPolarHBondContact O-CB 3.48Å; D444-Q448 WeakPolarHBondContact O-CG 3.43Å; D444-Q448 PolarHBondContact O-N 3.18Å
445	Q	94.9	Very high	94	Very high	65 Å²	65	59 Å²	59	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-68.4	-44	177	-73.1	171.2	-16.9	0	0	110.4	P382 S442 E443 Q448 M449	P382-Q445 HydrophobicContact CB-CG 4.48Å; P382-Q445 HydrophobicContact CG-CG 4.04Å; S442-Q445 WeakPolarHBondContact O-CB 3.3Å; S442-Q445 PolarHBondContact O-N 3.36Å; S442-Q445 VanDerWaalsContact OG-CG 3.28Å; S442-Q445 WeakPolarHBondContact OG-CG 3.48Å; S442-Q445 PolarHBondContact OG-N 3.14Å; E443-Q445 VanDerWaalsContact C-N 3.31Å; E443-Q445 PolarHBondContact O-N 3.37Å; Q445-Q448 PolarHBondContact O-N 3.39Å; Q445-M449 HydrophobicContact CB-CE 4.25Å; Q445-M449 WeakPolarHBondContact O-CB 3.26Å; Q445-M449 WeakPolarHBondContact O-CE 3.32Å; Q445-M449 VanDerWaalsContact O-CG 3.28Å; Q445-M449 WeakPolarHBondContact O-CG 3.21Å; Q445-M449 PolarHBondContact O-N 3.39Å
446	V	94.8	Very high	93.8	Very high	22 Å²	22	58.4 Å²	58.4	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-47.4	177.1	174.2	0	0	0	0	110.7	L422 L441 S442 E443 M449 G450	L422-V446 HydrophobicContact CB-CG1 4.23Å; L422-V446 HydrophobicContact CD2-CG1 4.18Å; L422-V446 HydrophobicContact CD2-CG2 4.41Å; L441-V446 HydrophobicContact CB-CG2 3.93Å; L441-V446 HydrophobicContact CD1-CG2 4.42Å; S442-V446 WeakPolarHBondContact O-CG2 3.42Å; S442-V446 PolarHBondContact O-N 3.48Å; E443-V446 PolarHBondContact O-N 3.09Å; V446-M449 PolarHBondContact O-N 3.37Å; V446-G450 PolarHBondContact O-N 3.36Å
447	D	93.2	Very high	93.5	Very high	69 Å²	69	61.2 Å²	61.2	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-64	-42.3	179.1	-88.9	-12.5	0	0	0	112.1	R46 E443 F451	R46-D447 IonicContact NH1-OD1 3.88Å; R46-D447 IonicContact NH1-OD2 2.78Å; R46-D447 IonicContact NH2-OD1 3.19Å; E443-D447 PolarHBondContact O-N 3.16Å; D447-F451 WeakPolarHBondContact O-CB 3.43Å; D447-F451 PolarHBondContact O-N 3.41Å
448	Q	94.6	Very high	93.1	Very high	110 Å²	110	64.2 Å²	64.2	51%	0.514	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-43.2	177.5	-74.5	174.7	29.5	0	0	112.6	P379 D444 Q445 M452	P379-Q448 HydrophobicContact CB-CB 4.2Å; D444-Q448 WeakPolarHBondContact O-CB 3.48Å; D444-Q448 WeakPolarHBondContact O-CG 3.43Å; D444-Q448 PolarHBondContact O-N 3.18Å; Q445-Q448 PolarHBondContact O-N 3.39Å; Q448-M452 PolarHBondContact O-N 2.91Å; Q448-M452 VanDerWaalsContact O-N 3.13Å
449	M	95	Very high	92.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-47.4	175.9	-72.4	-173.6	-67.8	0	0	111	P379 M380 L383 L422 L441 Q445 V446 F451 M452 L453	P379-M449 WeakPolarHBondContact O-CG 3.48Å; M380-M449 HydrophobicContact SD-CB 3.84Å; M380-M449 HydrophobicContact SD-CG 3.71Å; M380-M449 HydrophobicContact SD-SD 4.39Å; L383-M449 HydrophobicContact CB-SD 4.07Å; L422-M449 HydrophobicContact CD1-CB 4.07Å; L422-M449 HydrophobicContact CD2-CE 4.06Å; L441-M449 HydrophobicContact CD1-CE 3.66Å; L441-M449 HydrophobicContact CD2-CE 3.97Å; L441-M449 HydrophobicContact CG-CE 4.31Å; Q445-M449 HydrophobicContact CB-CE 4.25Å; Q445-M449 WeakPolarHBondContact O-CB 3.26Å; Q445-M449 WeakPolarHBondContact O-CE 3.32Å; Q445-M449 VanDerWaalsContact O-CG 3.28Å; Q445-M449 WeakPolarHBondContact O-CG 3.21Å; Q445-M449 PolarHBondContact O-N 3.39Å; V446-M449 PolarHBondContact O-N 3.37Å; M449-F451 VanDerWaalsContact C-N 3.34Å; M449-F451 PolarHBondContact O-N 3.09Å; M449-M452 PolarHBondContact O-N 2.9Å; M449-L453 VanDerWaalsContact O-CG 3.31Å; M449-L453 WeakPolarHBondContact O-CG 3.36Å; M449-L453 PolarHBondContact O-N 3.17Å
450	G	94.3	Very high	92.8	Very high	12 Å²	12	62.3 Å²	62.3	12%	0.124	35%	0.345	C	S	.	.	H	α-helix	trans	-55.6	-48.5	177	0	0	0	0	0	111.5	V446 M452 L453 Y454	V446-G450 PolarHBondContact O-N 3.36Å; G450-M452 PolarHBondContact O-N 2.86Å; G450-L453 PolarHBondContact O-N 3.47Å; G450-Y454 WeakPolarHBondContact O-CB 3.28Å; G450-Y454 WeakPolarHBondContact O-CD2 3.34Å; G450-Y454 PolarHBondContact O-N 3.3Å
451	F	92.6	Very high	92.8	Very high	138 Å²	138	61 Å²	61	61%	0.605	32%	0.32	S	S	*	.	H	α-helix	trans	-57.4	-48.2	176.3	177.3	-99.5	0	0	0	112.5	D447 M449 L453 Y454 C455	D447-F451 WeakPolarHBondContact O-CB 3.43Å; D447-F451 PolarHBondContact O-N 3.41Å; M449-F451 VanDerWaalsContact C-N 3.34Å; M449-F451 PolarHBondContact O-N 3.09Å; F451-L453 PolarHBondContact O-N 2.91Å; F451-Y454 PolarHBondContact O-N 3.42Å; F451-C455 PolarHBondContact O-N 3.13Å; F451-C455 PolarHBondContact O-SG 2.83Å; F451-C455 VanDerWaalsContact O-SG 3.37Å
452	M	94.4	Very high	92.6	Very high	39 Å²	39	62.4 Å²	62.4	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-45	179.4	176.5	168.8	-81.3	0	0	112	P379 M380 Q448 M449 G450 C455 A456 L463	P379-M452 HydrophobicContact CG-CE 3.19Å; P379-M452 HydrophobicContact CG-SD 3.51Å; P379-M452 VanDerWaalsContact CG-SD 3.51Å; M380-M452 HydrophobicContact CG-SD 3.69Å; M380-M452 HydrophobicContact SD-SD 4.5Å; Q448-M452 PolarHBondContact O-N 2.91Å; Q448-M452 VanDerWaalsContact O-N 3.13Å; M449-M452 PolarHBondContact O-N 2.9Å; G450-M452 PolarHBondContact O-N 2.86Å; M452-C455 PolarHBondContact O-N 3.34Å; M452-A456 PolarHBondContact O-N 2.95Å; M452-L463 HydrophobicContact CG-CD2 3.82Å; M452-L463 HydrophobicContact SD-CD2 3.99Å
453	L	95.3	Very high	92.5	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-37.9	178.9	-66.8	169.3	0	0	0	111.7	M380 I415 L418 I419 L422 M449 G450 F451 C455 A456 M457 L463	M380-L453 HydrophobicContact CE-CD1 4.14Å; M380-L453 HydrophobicContact CE-CD2 3.9Å; M380-L453 HydrophobicContact CE-CG 4.17Å; M380-L453 HydrophobicContact SD-CD1 4.39Å; M380-L453 HydrophobicContact SD-CD2 4.24Å; M380-L453 HydrophobicContact SD-CG 4.09Å; I415-L453 HydrophobicContact CG2-CB 4.29Å; I415-L453 HydrophobicContact CG2-CD2 4.18Å; L418-L453 HydrophobicContact CB-CD1 4.41Å; L418-L453 HydrophobicContact CD2-CD1 3.66Å; L418-L453 HydrophobicContact CD2-CD2 4.26Å; L418-L453 HydrophobicContact CG-CD1 3.78Å; I419-L453 HydrophobicContact CD1-CB 3.89Å; I419-L453 HydrophobicContact CG1-CB 3.55Å; I419-L453 HydrophobicContact CG1-CD1 4.22Å; L422-L453 HydrophobicContact CD1-CD1 3.51Å; M449-L453 VanDerWaalsContact O-CG 3.31Å; M449-L453 WeakPolarHBondContact O-CG 3.36Å; M449-L453 PolarHBondContact O-N 3.17Å; G450-L453 PolarHBondContact O-N 3.47Å; F451-L453 PolarHBondContact O-N 2.91Å; L453-C455 PolarHBondContact O-N 3.09Å; L453-A456 WeakPolarHBondContact O-CA 3.46Å; L453-A456 WeakPolarHBondContact O-CB 3.32Å; L453-A456 PolarHBondContact O-N 3.03Å; L453-A456 VanDerWaalsContact O-N 3.1Å; L453-M457 PolarHBondContact O-N 3.18Å; L453-L463 HydrophobicContact CD2-CD1 4.29Å
454	Y	94.6	Very high	92.4	Very high	108 Å²	108	54.2 Å²	54.2	42%	0.424	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-40.5	173.5	-93.2	-62.6	0	0	0	112.7	I419 E423 G450 F451 A456 M457	I419-Y454 HydrophobicContact CD1-CD1 4.35Å; I419-Y454 HydrophobicContact CD1-CG 4.47Å; I419-Y454 HydrophobicContact CG2-CD2 4.2Å; I419-Y454 HydrophobicContact CG2-CE1 3.99Å; I419-Y454 HydrophobicContact CG2-CE2 3.5Å; I419-Y454 WeakPolarHBondContact CG2-OH 3.35Å; E423-Y454 PolarHBondContact OE1-OH 3.5Å; G450-Y454 WeakPolarHBondContact O-CB 3.28Å; G450-Y454 WeakPolarHBondContact O-CD2 3.34Å; G450-Y454 PolarHBondContact O-N 3.3Å; F451-Y454 PolarHBondContact O-N 3.42Å; Y454-A456 VanDerWaalsContact C-N 3.31Å; Y454-M457 PolarHBondContact O-N 3.28Å
455	C	93	Very high	91.6	Very high	44 Å²	44	55.1 Å²	55.1	30%	0.297	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-41.1	171.4	-67.7	0	0	0	0	111.4	F451 M452 L453 M457 S458 D459 I462	F451-C455 PolarHBondContact O-N 3.13Å; F451-C455 PolarHBondContact O-SG 2.83Å; F451-C455 VanDerWaalsContact O-SG 3.37Å; M452-C455 PolarHBondContact O-N 3.34Å; L453-C455 PolarHBondContact O-N 3.09Å; C455-M457 VanDerWaalsContact C-N 3.25Å; C455-M457 PolarHBondContact O-N 2.75Å; C455-S458 PolarHBondContact O-N 3.4Å; C455-S458 VanDerWaalsContact O-N 3.12Å; C455-D459 PolarHBondContact O-N 3.01Å; C455-D459 VanDerWaalsContact O-N 3.09Å; C455-I462 HydrophobicContact CB-CD1 4.18Å
456	A	92.8	Very high	91.4	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-24.8	179.8	0	0	0	0	0	114.1	I415 M452 L453 Y454 S458 D459 P460 L463	I415-A456 HydrophobicContact CD1-CB 4.48Å; M452-A456 PolarHBondContact O-N 2.95Å; L453-A456 WeakPolarHBondContact O-CA 3.46Å; L453-A456 WeakPolarHBondContact O-CB 3.32Å; L453-A456 PolarHBondContact O-N 3.03Å; L453-A456 VanDerWaalsContact O-N 3.1Å; Y454-A456 VanDerWaalsContact C-N 3.31Å; A456-S458 PolarHBondContact O-N 3.38Å; A456-D459 WeakPolarHBondContact CA-O 3.42Å; A456-D459 CarbonylContact O-C 3.49Å; A456-D459 VanDerWaalsContact O-C 3.28Å; A456-D459 PolarHBondContact O-N 3.13Å; A456-P460 WeakPolarHBondContact O-CA 3.32Å; A456-L463 HydrophobicContact CB-CD1 3.4Å; A456-L463 HydrophobicContact CB-CD2 4.17Å; A456-L463 HydrophobicContact CB-CG 3.52Å
457	M	90.1	Very high	91.3	Very high	83 Å²	83	56.4 Å²	56.4	41%	0.409	29%	0.294	S	S	.	.	H	α-helix	trans	-63.4	-31.1	173.5	-73.5	-60.9	-64.3	0	0	112.9	I415 T416 I419 L453 Y454 C455	I415-M457 HydrophobicContact CB-SD 4.24Å; I415-M457 HydrophobicContact CG2-CG 4.09Å; I415-M457 HydrophobicContact CG2-SD 3.6Å; I415-M457 VanDerWaalsContact CG2-SD 3.6Å; T416-M457 VanDerWaalsContact OG1-CE 3.29Å; T416-M457 WeakPolarHBondContact OG1-CE 3.2Å; I419-M457 HydrophobicContact CD1-CG 3.63Å; I419-M457 HydrophobicContact CD1-SD 4.27Å; L453-M457 PolarHBondContact O-N 3.18Å; Y454-M457 PolarHBondContact O-N 3.28Å; C455-M457 VanDerWaalsContact C-N 3.25Å; C455-M457 PolarHBondContact O-N 2.75Å
458	S	87.3	Confident	91.2	Very high	102 Å²	102	55.7 Å²	55.7	71%	0.713	29%	0.29	S	S	*	.	H	α-helix	trans	-89.4	-38	176.4	-59.9	0	0	0	0	112.1	C455 A456	C455-S458 PolarHBondContact O-N 3.4Å; C455-S458 VanDerWaalsContact O-N 3.12Å; A456-S458 PolarHBondContact O-N 3.38Å
459	D	89.7	Confident	91	Very high	72 Å²	72	52.5 Å²	52.5	39%	0.385	28%	0.277	S	S	.	.			trans	-136.8	90.4	179.5	-173.6	6.1	0	0	0	110.5	C455 A456 D461 I462	C455-D459 PolarHBondContact O-N 3.01Å; C455-D459 VanDerWaalsContact O-N 3.09Å; A456-D459 WeakPolarHBondContact CA-O 3.42Å; A456-D459 CarbonylContact O-C 3.49Å; A456-D459 VanDerWaalsContact O-C 3.28Å; A456-D459 PolarHBondContact O-N 3.13Å; D459-D461 PolarHBondContact O-N 3.38Å; D459-D461 VanDerWaalsContact O-N 3.15Å; D459-D461 WeakPolarHBondContact OD1-CB 3.49Å; D459-D461 PolarHBondContact OD1-N 3.46Å; D459-I462 HydrophobicContact CB-CD1 3.98Å; D459-I462 HydrophobicContact CB-CG1 4.25Å; D459-I462 WeakPolarHBondContact O-CG1 3.16Å; D459-I462 PolarHBondContact O-N 2.73Å
460	P	89.3	Confident	90.7	Very high	21 Å²	21	55.8 Å²	55.8	14%	0.136	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-66.5	-16.3	-175.6	25.8	-33.9	0	0	0	112.8	L133 F411 A456 I462 L463	L133-P460 HydrophobicContact CD1-CB 3.9Å; L133-P460 HydrophobicContact CD1-CG 3.76Å; L133-P460 HydrophobicContact CD2-CB 4.43Å; L133-P460 HydrophobicContact CD2-CG 4.15Å; F411-P460 HydrophobicContact CE1-CB 4.32Å; A456-P460 WeakPolarHBondContact O-CA 3.32Å; P460-I462 PolarHBondContact O-N 3.14Å; P460-L463 PolarHBondContact O-N 3.19Å; P460-L463 VanDerWaalsContact O-N 3.16Å
461	D	87.3	Confident	90.5	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.262	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.3	179.2	-65.8	-18.9	0	0	0	112.2	R136 D459 L463 L464 I465	R136-D461 WeakPolarHBondContact CD-OD1 3.37Å; R136-D461 IonicContact CZ-OD1 3.25Å; R136-D461 IonicContact CZ-OD2 2.8Å; R136-D461 IonicContact NE-OD1 2.76Å; R136-D461 IonicContact NE-OD2 3.33Å; R136-D461 IonicContact NH1-OD1 3.06Å; R136-D461 PolarHBondContact NH1-OD1 3.43Å; R136-D461 IonicContact NH1-OD2 2.78Å; R136-D461 PolarHBondContact NH1-OD2 2.86Å; D459-D461 PolarHBondContact O-N 3.38Å; D459-D461 VanDerWaalsContact O-N 3.15Å; D459-D461 WeakPolarHBondContact OD1-CB 3.49Å; D459-D461 PolarHBondContact OD1-N 3.46Å; D461-L463 PolarHBondContact O-N 3.29Å; D461-L463 VanDerWaalsContact O-N 3.17Å; D461-L464 PolarHBondContact O-N 3.19Å; D461-I465 VanDerWaalsContact O-CG1 3.28Å; D461-I465 WeakPolarHBondContact O-CG1 3.47Å; D461-I465 PolarHBondContact O-N 3.46Å
462	I	90.4	Very high	90.3	Very high	61 Å²	61	53 Å²	53	31%	0.313	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30.3	178.2	-63.1	172.2	0	0	0	111.6	C455 D459 P460	C455-I462 HydrophobicContact CB-CD1 4.18Å; D459-I462 HydrophobicContact CB-CD1 3.98Å; D459-I462 HydrophobicContact CB-CG1 4.25Å; D459-I462 WeakPolarHBondContact O-CG1 3.16Å; D459-I462 PolarHBondContact O-N 2.73Å; P460-I462 PolarHBondContact O-N 3.14Å
463	L	91.1	Very high	90	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-84.8	-17.7	177.4	-63.5	-179.6	0	0	0	113.2	V373 F411 I415 M452 L453 A456 P460 D461	V373-L463 HydrophobicContact CG1-CB 3.84Å; V373-L463 HydrophobicContact CG1-CD1 4.38Å; V373-L463 HydrophobicContact CG1-CD2 3.91Å; V373-L463 HydrophobicContact CG1-CG 4.26Å; V373-L463 HydrophobicContact CG2-CB 4.34Å; F411-L463 HydrophobicContact CZ-CD1 4.21Å; I415-L463 HydrophobicContact CD1-CD1 3.54Å; I415-L463 HydrophobicContact CG1-CD1 4.19Å; M452-L463 HydrophobicContact CG-CD2 3.82Å; M452-L463 HydrophobicContact SD-CD2 3.99Å; L453-L463 HydrophobicContact CD2-CD1 4.29Å; A456-L463 HydrophobicContact CB-CD1 3.4Å; A456-L463 HydrophobicContact CB-CD2 4.17Å; A456-L463 HydrophobicContact CB-CG 3.52Å; P460-L463 PolarHBondContact O-N 3.19Å; P460-L463 VanDerWaalsContact O-N 3.16Å; D461-L463 PolarHBondContact O-N 3.29Å; D461-L463 VanDerWaalsContact O-N 3.17Å
464	L	91	Very high	89.6	Confident	22 Å²	22	58.3 Å²	58.3	12%	0.115	31%	0.314	C	S	.	.			trans	-100.5	13.4	-174.4	-52.2	-178.5	0	0	0	112.5	L133 R136 L137 Y140 V373 F411 D461	L133-L464 HydrophobicContact CD1-CD1 4.24Å; R136-L464 HydrophobicContact CB-CD1 4.14Å; L137-L464 HydrophobicContact CD2-CD1 3.93Å; L137-L464 HydrophobicContact CD2-CD2 3.83Å; L137-L464 HydrophobicContact CG-CD1 4.39Å; Y140-L464 HydrophobicContact CD1-CD2 3.92Å; Y140-L464 HydrophobicContact CD2-CB 3.92Å; Y140-L464 HydrophobicContact CD2-CD2 4.22Å; Y140-L464 WeakPolarHBondContact CD2-O 3.22Å; Y140-L464 HydrophobicContact CE1-CD2 4.24Å; Y140-L464 HydrophobicContact CE2-CB 4.37Å; Y140-L464 HydrophobicContact CG-CB 4.28Å; Y140-L464 HydrophobicContact CG-CD2 3.91Å; V373-L464 HydrophobicContact CG2-CD2 4.38Å; F411-L464 HydrophobicContact CZ-CD2 4.15Å; D461-L464 PolarHBondContact O-N 3.19Å
465	I	78.3	Confident	89.1	Confident	132 Å²	132	53.7 Å²	53.7	68%	0.677	30%	0.304	S	S	*	.			trans	-70.1	0	-175.4	-62	-177	0	0	0	113.1	R144 D461	R144-I465 VanDerWaalsContact CZ-C 3.47Å; R144-I465 PolarHBondContact NH1-O 3.28Å; R144-I465 PolarHBondContact NH1-OXT 3.1Å; R144-I465 PolarHBondContact NH2-OXT 3.2Å; D461-I465 VanDerWaalsContact O-CG1 3.28Å; D461-I465 WeakPolarHBondContact O-CG1 3.47Å; D461-I465 PolarHBondContact O-N 3.46Å

Retrieved 465 of 465 residues in 231.5 ms (Link to these results)

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