A0A096NJG3_PAPAN Loading...

Putative E3 ubiquitin-protein ligase UBR7

E3 ubiquitin-protein ligase which is a component of the N-end rule pathway. Recognizes and binds to proteins bearing specific N-terminal residues that are destabilizing according to the N-end rule, leading to their ubiquitination and subsequent degradation.

AlphaFold DB (A0A2K6A6V7), UniProt , Accession A0A096NJG3, Species PAPAN (Papio anubis, Olive baboon), Gene UBR7, Length 425 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	35.7	Very low	33.7	Very low	247 Å²	247	138.5 Å²	138.5	100%	1.217	87%	0.873	S	S	*	*				0	148	0	-74.2	-174.9	171.4	0	0	107.9
2	A	34.7	Very low	34.4	Very low	110 Å²	110	135 Å²	135	91%	0.909	86%	0.857	S	S	*	*			trans	-75	145.4	-174.8	0	0	0	0	0	112.1
3	G	31.8	Very low	35.3	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	86%	0.857	S	S	*	*			trans	-131.8	115.7	159.3	0	0	0	0	0	106.4
4	A	34.3	Very low	36	Very low	104 Å²	104	140.4 Å²	140.4	86%	0.86	86%	0.856	S	S	*	*			trans	-85.7	128.9	-172.8	0	0	0	0	0	111	G6	A4-G6 PolarHBondContact O-N 3.01Å
5	E	34.6	Very low	36.7	Very low	196 Å²	196	142.7 Å²	142.7	92%	0.916	85%	0.854	S	S	*	*			trans	-79.1	110.1	166.9	-67	-178.9	144.4	0	0	108.7	S7	E5-S7 PolarHBondContact O-N 2.92Å
6	G	30.5	Very low	37.4	Very low	78 Å²	78	141.1 Å²	141.1	80%	0.804	85%	0.847	S	S	*	*			trans	-77.6	107.2	175.9	0	0	0	0	0	110.9	A4 A8	A4-G6 PolarHBondContact O-N 3.01Å; G6-A8 PolarHBondContact O-N 3.01Å; G6-A8 VanDerWaalsContact O-N 3.16Å
7	S	34	Very low	38.5	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	84%	0.844	S	S	*	*			trans	-62.8	112.9	170.3	-177.4	0	0	0	0	110.1	E5 G9	E5-S7 PolarHBondContact O-N 2.92Å; S7-G9 VanDerWaalsContact C-N 3.31Å; S7-G9 PolarHBondContact O-N 2.95Å
8	A	34.9	Very low	39.9	Very low	101 Å²	101	136 Å²	136	84%	0.835	82%	0.817	S	S	*	*			trans	-72.8	88.1	171.7	0	0	0	0	0	109.2	G6 R10	G6-A8 PolarHBondContact O-N 3.01Å; G6-A8 VanDerWaalsContact O-N 3.16Å; A8-R10 PolarHBondContact O-N 3.23Å
9	G	33.1	Very low	41.5	Very low	64 Å²	64	130.2 Å²	130.2	66%	0.66	78%	0.784	S	S	*	*			trans	-60.1	107.2	173.8	0	0	0	0	0	110.4	S7 Q11	S7-G9 VanDerWaalsContact C-N 3.31Å; S7-G9 PolarHBondContact O-N 2.95Å; G9-Q11 VanDerWaalsContact C-N 3.35Å; G9-Q11 PolarHBondContact O-N 3Å
10	R	33.5	Very low	42.8	Very low	242 Å²	242	124.6 Å²	124.6	91%	0.913	75%	0.749	S	S	*	*			trans	-64.9	95.2	169.7	-173.8	177.7	-172.7	174	0.5	107.9	A8 S12	A8-R10 PolarHBondContact O-N 3.23Å; R10-S12 PolarHBondContact O-N 2.87Å
11	Q	33.3	Very low	44.1	Very low	185 Å²	185	120.5 Å²	120.5	86%	0.864	73%	0.725	S	S	*	*			trans	-60.2	110.2	168.2	-75.3	177.9	-31.5	0	0	107	G9 E13	G9-Q11 VanDerWaalsContact C-N 3.35Å; G9-Q11 PolarHBondContact O-N 3Å; Q11-E13 PolarHBondContact O-N 3.41Å
12	S	42.6	Very low	45.8	Very low	96 Å²	96	112.2 Å²	112.2	67%	0.671	69%	0.686	S	S	*	*			trans	-66.2	119.9	161.5	-168.1	0	0	0	0	105.8	R10 L14	R10-S12 PolarHBondContact O-N 2.87Å; S12-L14 PolarHBondContact O-N 2.84Å; S12-L14 VanDerWaalsContact O-N 3.09Å
13	E	45.8	Very low	47.7	Very low	185 Å²	185	107.4 Å²	107.4	86%	0.864	65%	0.645	S	S	*	*			trans	-56.4	116.7	160.7	-67.7	171.7	158.2	0	0	105.8	Q11 E15	Q11-E13 PolarHBondContact O-N 3.41Å; E13-E15 PolarHBondContact O-N 3.26Å
14	L	44.8	Very low	49.6	Very low	160 Å²	160	105 Å²	105	84%	0.838	61%	0.614	S	S	*	*			trans	-78.1	113.9	174	-71.3	168.4	0	0	0	105.7	S12	S12-L14 PolarHBondContact O-N 2.84Å; S12-L14 VanDerWaalsContact O-N 3.09Å
15	E	46.3	Very low	51.7	Low	176 Å²	176	104.9 Å²	104.9	82%	0.822	60%	0.596	S	S	*	*			trans	-55.1	135.1	171.3	-69.3	-174	150.7	0	0	108.9	E13 V17	E13-E15 PolarHBondContact O-N 3.26Å; E15-V17 PolarHBondContact O-N 2.71Å
16	P	49.2	Very low	53.7	Low	116 Å²	116	101 Å²	101	75%	0.753	58%	0.577	S	S	*	*			trans	-62.2	124.5	-179.5	24.8	-32.8	0	0	0	109.6	V18	P16-V18 PolarHBondContact O-N 3.2Å
17	V	55.7	Low	55.9	Low	131 Å²	131	100.9 Å²	100.9	79%	0.794	56%	0.558	S	S	*	*			trans	-76.4	94.4	176.9	-178.2	0	0	0	0	108.3	E15	E15-V17 PolarHBondContact O-N 2.71Å
18	V	63.2	Low	58.2	Low	60 Å²	60	97.7 Å²	97.7	36%	0.364	53%	0.53	S	S	.	.			trans	-74.6	132.1	173.1	-171.1	0	0	0	0	109.2	P16 D22 V23 N377	P16-V18 PolarHBondContact O-N 3.2Å; V18-D22 HydrophobicContact CG1-CB 3.8Å; V18-V23 HydrophobicContact CG1-CG2 3.79Å; V18-N377 PolarHBondContact O-ND2 3.49Å; V18-N377 VanDerWaalsContact O-ND2 3.14Å
19	S	71.3	Confident	60.5	Low	26 Å²	26	99.4 Å²	99.4	18%	0.182	52%	0.521	C	S	.	.			trans	-81	155.2	177.1	116.7	0	0	0	0	111.1	V21 D22 V23	S19-V21 PolarHBondContact O-N 3.48Å; S19-V21 PolarHBondContact OG-N 3.17Å; S19-V21 VanDerWaalsContact OG-N 3.13Å; S19-D22 WeakPolarHBondContact CB-OD1 3.45Å; S19-D22 VanDerWaalsContact CB-OD2 3.31Å; S19-D22 WeakPolarHBondContact CB-OD2 3.29Å; S19-D22 PolarHBondContact N-OD2 2.87Å; S19-D22 WeakPolarHBondContact O-CB 3.32Å; S19-D22 PolarHBondContact O-N 3.32Å; S19-D22 VanDerWaalsContact O-N 3.15Å; S19-D22 PolarHBondContact OG-N 2.92Å; S19-D22 PolarHBondContact OG-OD1 3.41Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.22Å
20	L	66.3	Low	62.8	Low	17 Å²	17	100.9 Å²	100.9	9%	0.089	51%	0.513	C	S	.	.	H	α-helix	trans	-65.3	-28.8	175.3	179.3	61.1	0	0	0	111.2	L24 L361 L372 I373 Y376	L20-L24 HydrophobicContact CD1-CD1 4.13Å; L20-L24 HydrophobicContact CD1-CG 4.2Å; L20-L24 HydrophobicContact CG-CD1 3.96Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 WeakPolarHBondContact O-CD1 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.34Å; L20-L24 PolarHBondContact O-N 3.37Å; L20-L361 HydrophobicContact CD2-CD1 4.46Å; L20-L361 HydrophobicContact CD2-CD2 4.34Å; L20-L372 HydrophobicContact CD2-CD2 4.07Å; L20-L372 HydrophobicContact CD2-CG 4.11Å; L20-I373 HydrophobicContact CB-CB 4.44Å; L20-I373 HydrophobicContact CB-CG1 3.55Å; L20-Y376 HydrophobicContact CD1-CD1 3.84Å; L20-Y376 HydrophobicContact CD1-CD2 4.12Å; L20-Y376 HydrophobicContact CD1-CE1 3.9Å; L20-Y376 HydrophobicContact CD1-CE2 4.17Å; L20-Y376 HydrophobicContact CD1-CG 3.96Å
21	V	70.8	Confident	65.2	Low	40 Å²	40	95.3 Å²	95.3	24%	0.242	50%	0.498	C	S	.	.	H	α-helix	trans	-66.5	-46.2	172.2	-178.9	0	0	0	0	108.7	S19 V23 L24 E25	S19-V21 PolarHBondContact O-N 3.48Å; S19-V21 PolarHBondContact OG-N 3.17Å; S19-V21 VanDerWaalsContact OG-N 3.13Å; V21-V23 VanDerWaalsContact C-N 3.31Å; V21-V23 PolarHBondContact O-N 3.28Å; V21-L24 PolarHBondContact O-N 2.71Å; V21-L24 VanDerWaalsContact O-N 3.11Å; V21-E25 HydrophobicContact CG1-CG 4.23Å; V21-E25 WeakPolarHBondContact CG1-OE1 3.33Å; V21-E25 WeakPolarHBondContact O-CB 3.3Å; V21-E25 WeakPolarHBondContact O-CG 3.41Å; V21-E25 PolarHBondContact O-N 3.32Å
22	D	72.1	Confident	67.5	Low	72 Å²	72	88.2 Å²	88.2	39%	0.385	47%	0.465	S	S	.	.	H	α-helix	trans	-60.7	-39.5	177.9	-35.9	-9.8	0	0	0	111.3	V18 S19 E26	V18-D22 HydrophobicContact CG1-CB 3.8Å; S19-D22 WeakPolarHBondContact CB-OD1 3.45Å; S19-D22 VanDerWaalsContact CB-OD2 3.31Å; S19-D22 WeakPolarHBondContact CB-OD2 3.29Å; S19-D22 PolarHBondContact N-OD2 2.87Å; S19-D22 WeakPolarHBondContact O-CB 3.32Å; S19-D22 PolarHBondContact O-N 3.32Å; S19-D22 VanDerWaalsContact O-N 3.15Å; S19-D22 PolarHBondContact OG-N 2.92Å; S19-D22 PolarHBondContact OG-OD1 3.41Å; D22-E26 VanDerWaalsContact O-CB 3.29Å; D22-E26 WeakPolarHBondContact O-CB 3.43Å; D22-E26 PolarHBondContact O-N 3.38Å
23	V	72.8	Confident	69.5	Low	9 Å²	9	90 Å²	90	6%	0.055	46%	0.463	C	S	.	.	H	α-helix	trans	-66	-40.2	175.3	173.2	0	0	0	0	111.8	V18 S19 V21 E26 D27	V18-V23 HydrophobicContact CG1-CG2 3.79Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.22Å; V21-V23 VanDerWaalsContact C-N 3.31Å; V21-V23 PolarHBondContact O-N 3.28Å; V23-E26 PolarHBondContact O-N 3.17Å; V23-D27 WeakPolarHBondContact O-CB 3.19Å; V23-D27 PolarHBondContact O-N 2.94Å
24	L	73.1	Confident	71.3	Confident	27 Å²	27	83.5 Å²	83.5	14%	0.141	44%	0.441	C	S	.	.	H	α-helix	trans	-77.1	-29.9	179.8	-69.3	168.5	0	0	0	112.3	L20 V21 E28 L357 M358 L361	L20-L24 HydrophobicContact CD1-CD1 4.13Å; L20-L24 HydrophobicContact CD1-CG 4.2Å; L20-L24 HydrophobicContact CG-CD1 3.96Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.38Å; L20-L24 WeakPolarHBondContact O-CD1 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.34Å; L20-L24 PolarHBondContact O-N 3.37Å; V21-L24 PolarHBondContact O-N 2.71Å; V21-L24 VanDerWaalsContact O-N 3.11Å; L24-E28 WeakPolarHBondContact O-CB 3.28Å; L24-E28 PolarHBondContact O-N 2.62Å; L24-L357 HydrophobicContact CD1-CD2 4.23Å; L24-L357 HydrophobicContact CD1-CG 4.48Å; L24-L357 HydrophobicContact CD2-CD2 4.29Å; L24-M358 HydrophobicContact CB-CE 4.09Å; L24-M358 HydrophobicContact CB-SD 3.55Å; L24-M358 VanDerWaalsContact CB-SD 3.55Å; L24-M358 HydrophobicContact CD1-SD 3.7Å; L24-M358 HydrophobicContact CG-SD 4.24Å; L24-L361 HydrophobicContact CD1-CD1 3.21Å
25	E	77.2	Confident	73.3	Confident	101 Å²	101	77.9 Å²	77.9	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-43.4	167.9	-72.8	175.8	175.3	0	0	110.4	V21 E28 E29 M358	V21-E25 HydrophobicContact CG1-CG 4.23Å; V21-E25 WeakPolarHBondContact CG1-OE1 3.33Å; V21-E25 WeakPolarHBondContact O-CB 3.3Å; V21-E25 WeakPolarHBondContact O-CG 3.41Å; V21-E25 PolarHBondContact O-N 3.32Å; E25-E28 PolarHBondContact O-N 2.71Å; E25-E29 WeakPolarHBondContact O-CB 3.38Å; E25-E29 WeakPolarHBondContact O-CG 3.33Å; E25-E29 PolarHBondContact O-N 2.83Å; E25-M358 HydrophobicContact CG-CE 4.14Å
26	E	77.4	Confident	75.1	Confident	113 Å²	113	69.8 Å²	69.8	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-46.7	173.6	-175.5	178.7	-163.7	0	0	112.1	D22 V23 E29 L30	D22-E26 VanDerWaalsContact O-CB 3.29Å; D22-E26 WeakPolarHBondContact O-CB 3.43Å; D22-E26 PolarHBondContact O-N 3.38Å; V23-E26 PolarHBondContact O-N 3.17Å; E26-E29 PolarHBondContact O-N 3.15Å; E26-L30 HydrophobicContact CG-CD1 4.28Å; E26-L30 WeakPolarHBondContact O-CB 2.99Å; E26-L30 VanDerWaalsContact O-CG 3.25Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 3.13Å
27	D	76.6	Confident	77	Confident	76 Å²	76	66.5 Å²	66.5	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-42.6	175	-77.7	-24.5	0	0	0	110.9	V23 L30 E31	V23-D27 WeakPolarHBondContact O-CB 3.19Å; V23-D27 PolarHBondContact O-N 2.94Å; D27-L30 PolarHBondContact O-N 2.89Å; D27-E31 WeakPolarHBondContact O-CG 3.27Å; D27-E31 PolarHBondContact O-N 3.45Å
28	E	81.3	Confident	78.6	Confident	55 Å²	55	61.9 Å²	61.9	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-40.9	175.9	176.4	164.5	-114	0	0	111.8	L24 E25 E31 N32 R353	L24-E28 WeakPolarHBondContact O-CB 3.28Å; L24-E28 PolarHBondContact O-N 2.62Å; E25-E28 PolarHBondContact O-N 2.71Å; E28-E31 PolarHBondContact O-N 3.39Å; E28-N32 VanDerWaalsContact CG-ND2 3.27Å; E28-N32 WeakPolarHBondContact CG-ND2 3.46Å; E28-N32 WeakPolarHBondContact O-CB 3.47Å; E28-N32 PolarHBondContact O-N 2.79Å; E28-N32 PolarHBondContact O-ND2 3.21Å; E28-R353 IonicContact OE1-CZ 3.38Å; E28-R353 IonicContact OE1-NE 2.59Å; E28-R353 PolarHBondContact OE1-NE 3.31Å; E28-R353 IonicContact OE1-NH2 2.69Å; E28-R353 PolarHBondContact OE1-NH2 3.29Å; E28-R353 IonicContact OE2-CZ 2.66Å; E28-R353 IonicContact OE2-NH2 3.39Å; E28-R353 PolarHBondContact OE2-NH2 2.85Å
29	E	83.8	Confident	79.6	Confident	136 Å²	136	59 Å²	59	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-60.3	-47.1	173.7	-78.1	-176.4	172.2	0	0	111.2	E25 E26 E31 N32 E33	E25-E29 WeakPolarHBondContact O-CB 3.38Å; E25-E29 WeakPolarHBondContact O-CG 3.33Å; E25-E29 PolarHBondContact O-N 2.83Å; E26-E29 PolarHBondContact O-N 3.15Å; E29-E31 PolarHBondContact O-N 2.94Å; E29-N32 PolarHBondContact O-N 3.17Å; E29-E33 WeakPolarHBondContact O-CG 3.42Å; E29-E33 PolarHBondContact O-N 3.46Å
30	L	82.4	Confident	79.9	Confident	96 Å²	96	59.5 Å²	59.5	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-41.8	175.9	-71.8	169.3	0	0	0	112.5	E26 D27 E33 A34	E26-L30 HydrophobicContact CG-CD1 4.28Å; E26-L30 WeakPolarHBondContact O-CB 2.99Å; E26-L30 VanDerWaalsContact O-CG 3.25Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 3.13Å; D27-L30 PolarHBondContact O-N 2.89Å; L30-E33 PolarHBondContact O-N 3.31Å; L30-A34 WeakPolarHBondContact O-CB 3.46Å; L30-A34 PolarHBondContact O-N 2.83Å
31	E	82.8	Confident	80.8	Confident	125 Å²	125	60 Å²	60	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-65.2	-41.1	173.9	-75	-168.5	177.9	0	0	112.2	D27 E28 E29 E33 A34 C35	D27-E31 WeakPolarHBondContact O-CG 3.27Å; D27-E31 PolarHBondContact O-N 3.45Å; E28-E31 PolarHBondContact O-N 3.39Å; E29-E31 PolarHBondContact O-N 2.94Å; E31-E33 VanDerWaalsContact C-N 3.34Å; E31-E33 PolarHBondContact O-N 3.34Å; E31-A34 PolarHBondContact O-N 3.21Å; E31-C35 VanDerWaalsContact O-CB 3.32Å; E31-C35 WeakPolarHBondContact O-CB 3.49Å; E31-C35 PolarHBondContact O-N 3.25Å; E31-C35 PolarHBondContact O-SG 3.47Å
32	N	82.3	Confident	81.5	Confident	35 Å²	35	60.6 Å²	60.6	19%	0.187	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-38.3	176.1	-77.7	-69.5	0	0	0	112.2	E28 E29 A36 Q349	E28-N32 VanDerWaalsContact CG-ND2 3.27Å; E28-N32 WeakPolarHBondContact CG-ND2 3.46Å; E28-N32 WeakPolarHBondContact O-CB 3.47Å; E28-N32 PolarHBondContact O-N 2.79Å; E28-N32 PolarHBondContact O-ND2 3.21Å; E29-N32 PolarHBondContact O-N 3.17Å; N32-A36 WeakPolarHBondContact O-CB 3.2Å; N32-A36 PolarHBondContact O-N 3.36Å; N32-A36 VanDerWaalsContact O-N 3.07Å; N32-Q349 VanDerWaalsContact CA-OE1 3.29Å; N32-Q349 PolarHBondContact OD1-OE1 3.47Å; N32-Q349 VanDerWaalsContact OD1-OE1 3.11Å
33	E	84.8	Confident	82.3	Confident	133 Å²	133	60.1 Å²	60.1	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-68	-47	173.4	-71.8	-167.5	167.4	0	0	112	E29 L30 E31 C35 A36 V37	E29-E33 WeakPolarHBondContact O-CG 3.42Å; E29-E33 PolarHBondContact O-N 3.46Å; L30-E33 PolarHBondContact O-N 3.31Å; E31-E33 VanDerWaalsContact C-N 3.34Å; E31-E33 PolarHBondContact O-N 3.34Å; E33-C35 PolarHBondContact O-N 2.79Å; E33-A36 WeakPolarHBondContact O-CB 3.44Å; E33-A36 PolarHBondContact O-N 3.49Å; E33-V37 WeakPolarHBondContact O-CG2 3.43Å; E33-V37 PolarHBondContact O-N 3.3Å
34	A	84.1	Confident	83.2	Confident	49 Å²	49	66.1 Å²	66.1	41%	0.405	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-46.5	176.6	0	0	0	0	0	111.6	L30 E31 A36 V37 L38	L30-A34 WeakPolarHBondContact O-CB 3.46Å; L30-A34 PolarHBondContact O-N 2.83Å; E31-A34 PolarHBondContact O-N 3.21Å; A34-A36 VanDerWaalsContact C-N 3.3Å; A34-A36 PolarHBondContact O-N 3.09Å; A34-V37 PolarHBondContact O-N 3.04Å; A34-L38 VanDerWaalsContact O-CB 3.32Å; A34-L38 WeakPolarHBondContact O-CB 3.48Å; A34-L38 VanDerWaalsContact O-CG 3.23Å; A34-L38 WeakPolarHBondContact O-CG 3.4Å; A34-L38 PolarHBondContact O-N 3.42Å
35	C	84.9	Confident	84.2	Confident	42 Å²	42	70.4 Å²	70.4	28%	0.284	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-37.5	176.7	-80.4	0	0	0	0	112.3	E31 E33 G39 G345 Q349	E31-C35 VanDerWaalsContact O-CB 3.32Å; E31-C35 WeakPolarHBondContact O-CB 3.49Å; E31-C35 PolarHBondContact O-N 3.25Å; E31-C35 PolarHBondContact O-SG 3.47Å; E33-C35 PolarHBondContact O-N 2.79Å; C35-G39 PolarHBondContact O-N 2.93Å; C35-G345 VanDerWaalsContact O-CA 3.25Å; C35-G345 WeakPolarHBondContact O-CA 3.03Å; C35-Q349 HydrophobicContact CB-CB 4.06Å; C35-Q349 HydrophobicContact CB-CG 4.34Å; C35-Q349 VanDerWaalsContact SG-CD 3.57Å
36	A	85.6	Confident	85.2	Confident	6 Å²	6	65.9 Å²	65.9	5%	0.05	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-55.6	172.9	0	0	0	0	0	111.7	N32 E33 A34 L38 G39 E342 K346	N32-A36 WeakPolarHBondContact O-CB 3.2Å; N32-A36 PolarHBondContact O-N 3.36Å; N32-A36 VanDerWaalsContact O-N 3.07Å; E33-A36 WeakPolarHBondContact O-CB 3.44Å; E33-A36 PolarHBondContact O-N 3.49Å; A34-A36 VanDerWaalsContact C-N 3.3Å; A34-A36 PolarHBondContact O-N 3.09Å; A36-L38 PolarHBondContact O-N 3.46Å; A36-G39 PolarHBondContact O-N 3.08Å; A36-E342 HydrophobicContact CB-CB 4.1Å; A36-E342 HydrophobicContact CB-CG 4.3Å; A36-E342 WeakPolarHBondContact O-CA 3.29Å; A36-K346 HydrophobicContact CB-CD 4.3Å; A36-K346 VanDerWaalsContact CB-CE 3.43Å; A36-K346 HydrophobicContact CB-CG 3.91Å
37	V	87.9	Confident	86.1	Confident	47 Å²	47	60.9 Å²	60.9	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-31.4	-179.5	173.4	0	0	0	0	112.2	E33 A34 Y92 Y341	E33-V37 WeakPolarHBondContact O-CG2 3.43Å; E33-V37 PolarHBondContact O-N 3.3Å; A34-V37 PolarHBondContact O-N 3.04Å; V37-Y92 HydrophobicContact CG1-CD1 3.83Å; V37-Y92 HydrophobicContact CG1-CE1 4.09Å; V37-Y341 WeakPolarHBondContact O-CE1 3.41Å
38	L	89.1	Confident	87	Confident	34 Å²	34	58 Å²	58	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-85.4	-10.4	175.9	-63.5	178.3	0	0	0	114.1	A34 A36 G40 S41 A57 Y59 L76 Y341	A34-L38 VanDerWaalsContact O-CB 3.32Å; A34-L38 WeakPolarHBondContact O-CB 3.48Å; A34-L38 VanDerWaalsContact O-CG 3.23Å; A34-L38 WeakPolarHBondContact O-CG 3.4Å; A34-L38 PolarHBondContact O-N 3.42Å; A36-L38 PolarHBondContact O-N 3.46Å; L38-G40 PolarHBondContact O-N 3.04Å; L38-S41 WeakPolarHBondContact O-CB 3.34Å; L38-S41 PolarHBondContact O-N 3.02Å; L38-S41 PolarHBondContact O-OG 2.92Å; L38-A57 HydrophobicContact CD2-CB 3.87Å; L38-Y59 WeakPolarHBondContact CD2-OH 3.3Å; L38-L76 HydrophobicContact CD1-CD1 4.3Å; L38-L76 HydrophobicContact CD1-CD2 3.99Å; L38-L76 HydrophobicContact CD2-CD1 3.74Å; L38-L76 HydrophobicContact CD2-CD2 4.12Å; L38-L76 HydrophobicContact CG-CD2 4.45Å; L38-Y341 PolarHBondContact O-OH 3.23Å
39	G	84.3	Confident	87.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	29.6	171.9	0	0	0	0	0	115.9	C35 A36 Y341 K344	C35-G39 PolarHBondContact O-N 2.93Å; A36-G39 PolarHBondContact O-N 3.08Å; G39-Y341 VanDerWaalsContact CA-O 3.23Å; G39-Y341 WeakPolarHBondContact CA-O 3.21Å; G39-K344 PolarHBondContact O-NZ 3.4Å
40	G	77.4	Confident	88.2	Confident	37 Å²	37	58.6 Å²	58.6	38%	0.381	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	44.8	-172.1	0	0	0	0	0	112.6	L38 K344	L38-G40 PolarHBondContact O-N 3.04Å; G40-K344 PolarHBondContact O-NZ 2.84Å; G40-K344 VanDerWaalsContact O-NZ 3.09Å
41	S	85.3	Confident	88.7	Confident	28 Å²	28	54.8 Å²	54.8	20%	0.196	31%	0.31	C	S	.	.			trans	-74.9	135.9	167.2	-64.2	0	0	0	0	109.8	L38 S43 Y341	L38-S41 WeakPolarHBondContact O-CB 3.34Å; L38-S41 PolarHBondContact O-N 3.02Å; L38-S41 PolarHBondContact O-OG 2.92Å; S41-S43 PolarHBondContact O-N 3.47Å; S41-Y341 PolarHBondContact OG-OH 3.06Å
42	D	86.4	Confident	89.3	Confident	52 Å²	52	52 Å²	52	28%	0.278	30%	0.303	S	S	.	.			trans	-69.9	126.3	177.4	-168.5	-40.5	0	0	0	109.6	E44 K45 A77	D42-E44 WeakPolarHBondContact OD1-CA 3.48Å; D42-E44 PolarHBondContact OD1-N 2.81Å; D42-K45 PolarHBondContact OD1-N 2.84Å; D42-K45 IonicContact OD1-NZ 2.96Å; D42-K45 WeakPolarHBondContact OD2-CB 3.32Å; D42-K45 WeakPolarHBondContact OD2-CD 3.49Å; D42-K45 WeakPolarHBondContact OD2-CG 3.4Å; D42-K45 IonicContact OD2-NZ 2.71Å; D42-K45 PolarHBondContact OD2-NZ 2.96Å; D42-A77 PolarHBondContact O-N 3.25Å
43	S	88.4	Confident	89.8	Confident	62 Å²	62	51.6 Å²	51.6	43%	0.434	30%	0.302	S	S	.	.	S	Bend	trans	-88.9	-13.1	180	52.3	0	0	0	0	113.4	S41 A77	S41-S43 PolarHBondContact O-N 3.47Å; S43-A77 VanDerWaalsContact C-CB 3.45Å; S43-A77 VanDerWaalsContact O-CA 3.24Å; S43-A77 WeakPolarHBondContact O-CA 3.41Å; S43-A77 VanDerWaalsContact O-CB 3.3Å; S43-A77 WeakPolarHBondContact O-CB 3.49Å
44	E	91.1	Very high	90.2	Very high	135 Å²	135	50.4 Å²	50.4	63%	0.631	30%	0.295	S	S	*	.	S	Bend	trans	-105	-31.8	-178.4	-57.3	-176.7	148.5	0	0	112.5	D42 L113	D42-E44 WeakPolarHBondContact OD1-CA 3.48Å; D42-E44 PolarHBondContact OD1-N 2.81Å; E44-L113 WeakPolarHBondContact O-CD1 3.39Å; E44-L113 WeakPolarHBondContact O-CD2 3.46Å
45	K	95	Very high	90.6	Very high	116 Å²	116	48.9 Å²	48.9	50%	0.504	28%	0.279	S	S	.	.	S	Bend	trans	-113.5	130.5	-170.3	-53.7	-179.5	-159.5	76.3	0	112.1	D42 S47 A77	D42-K45 PolarHBondContact OD1-N 2.84Å; D42-K45 IonicContact OD1-NZ 2.96Å; D42-K45 WeakPolarHBondContact OD2-CB 3.32Å; D42-K45 WeakPolarHBondContact OD2-CD 3.49Å; D42-K45 WeakPolarHBondContact OD2-CG 3.4Å; D42-K45 IonicContact OD2-NZ 2.71Å; D42-K45 PolarHBondContact OD2-NZ 2.96Å; K45-S47 PolarHBondContact O-N 3.11Å; K45-A77 WeakPolarHBondContact O-CB 3.32Å
46	C	97.3	Very high	91.1	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.041	27%	0.267	C	S	.	.			trans	-62.7	123.1	175.2	-175.1	0	0	0	0	111.5	Y48 S49 L113 L114 K117	C46-Y48 PolarHBondContact O-N 3.4Å; C46-S49 PolarHBondContact O-OG 3.18Å; C46-L113 HydrophobicContact CB-CB 3.88Å; C46-L113 HydrophobicContact CB-CD1 4.45Å; C46-L114 HydrophobicContact CB-CB 4.05Å; C46-K117 PolarHBondContact SG-NZ 3.46Å
47	S	96.6	Very high	91.5	Very high	8 Å²	8	46.9 Å²	46.9	6%	0.056	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65.2	-9.2	-178.4	69.6	0	0	0	0	115	K45 S49 Q50 Q56 C75	K45-S47 PolarHBondContact O-N 3.11Å; S47-S49 PolarHBondContact O-N 2.94Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-Q50 VanDerWaalsContact O-CB 3.28Å; S47-Q50 WeakPolarHBondContact O-CB 3.44Å; S47-Q50 PolarHBondContact O-N 2.96Å; S47-Q56 VanDerWaalsContact CB-OE1 3.31Å; S47-Q56 PolarHBondContact OG-OE1 3.08Å; S47-C75 PolarHBondContact N-SG 3.45Å; S47-C75 WeakPolarHBondContact OG-CB 3.33Å
48	Y	97.1	Very high	91.9	Very high	17 Å²	17	44.7 Å²	44.7	7%	0.067	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32.5	-178.1	177.3	-83.9	0	0	0	113.3	C46 Q50 G51 R98 C99 L114 K117 A118 N121	C46-Y48 PolarHBondContact O-N 3.4Å; Y48-Q50 PolarHBondContact O-N 3.2Å; Y48-G51 PolarHBondContact O-N 2.85Å; Y48-R98 HydrophobicContact CD2-CG 3.61Å; Y48-R98 HydrophobicContact CE2-CG 4.02Å; Y48-R98 HydrophobicContact CG-CG 4.27Å; Y48-R98 PolarHBondContact O-NE 2.91Å; Y48-R98 PolarHBondContact O-NH2 2.65Å; Y48-R98 PolarHBondContact OH-NH1 3.09Å; Y48-C99 WeakPolarHBondContact CD2-O 3.48Å; Y48-L114 HydrophobicContact CD1-CD2 3.45Å; Y48-L114 VanDerWaalsContact CD1-CD2 3.45Å; Y48-L114 HydrophobicContact CE1-CD2 4.37Å; Y48-L114 HydrophobicContact CG-CD2 4.11Å; Y48-K117 HydrophobicContact CD1-CD 4.26Å; Y48-K117 HydrophobicContact CD1-CG 3.82Å; Y48-K117 HydrophobicContact CD2-CB 4.41Å; Y48-K117 HydrophobicContact CD2-CD 3.74Å; Y48-K117 HydrophobicContact CD2-CG 3.98Å; Y48-K117 HydrophobicContact CE1-CB 4.1Å; Y48-K117 HydrophobicContact CE1-CG 3.8Å; Y48-K117 HydrophobicContact CE2-CB 3.94Å; Y48-K117 HydrophobicContact CE2-CD 4.11Å; Y48-K117 HydrophobicContact CE2-CG 3.98Å; Y48-K117 HydrophobicContact CG-CD 3.83Å; Y48-K117 HydrophobicContact CG-CG 3.92Å; Y48-A118 WeakPolarHBondContact OH-CB 3.14Å; Y48-A118 PolarHBondContact OH-N 3.41Å; Y48-N121 WeakPolarHBondContact CE2-OD1 3.4Å
49	S	94.3	Very high	92.3	Very high	87 Å²	87	44 Å²	44	61%	0.608	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-65.4	-26.8	175.8	54.7	0	0	0	0	113	C46 S47 G51	C46-S49 PolarHBondContact O-OG 3.18Å; S47-S49 PolarHBondContact O-N 2.94Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S49-G51 PolarHBondContact O-N 3.16Å
50	Q	94.4	Very high	92.9	Very high	115 Å²	115	44 Å²	44	54%	0.537	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-78.2	-5	177.4	-50.2	178	18.3	0	0	112.8	S47 Y48 V53	S47-Q50 VanDerWaalsContact O-CB 3.28Å; S47-Q50 WeakPolarHBondContact O-CB 3.44Å; S47-Q50 PolarHBondContact O-N 2.96Å; Y48-Q50 PolarHBondContact O-N 3.2Å; Q50-V53 HydrophobicContact CB-CG2 3.82Å
51	G	94.4	Very high	93.9	Very high	17 Å²	17	42.2 Å²	42.2	18%	0.175	23%	0.228	C	C	.	.			trans	79.9	-145.4	-179.3	0	0	0	0	0	112.9	Y48 S49 V53 R98	Y48-G51 PolarHBondContact O-N 2.85Å; S49-G51 PolarHBondContact O-N 3.16Å; G51-V53 PolarHBondContact O-N 3.21Å; G51-R98 WeakPolarHBondContact O-CB 3.22Å; G51-R98 WeakPolarHBondContact O-CG 3.42Å
52	S	94	Very high	94.3	Very high	65 Å²	65	42.3 Å²	42.3	46%	0.455	23%	0.229	S	C	.	.	S	Bend	trans	-79.6	97.9	170.2	-82.1	0	0	0	0	109.1	N96	S52-N96 WeakPolarHBondContact CB-O 3.49Å; S52-N96 PolarHBondContact OG-O 3.05Å
53	V	93.1	Very high	94.7	Very high	27 Å²	27	43.6 Å²	43.6	16%	0.164	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.8	-178.2	-172.3	0	0	0	0	109.4	Q50 G51 R55 Q56 N96 F97	Q50-V53 HydrophobicContact CB-CG2 3.82Å; G51-V53 PolarHBondContact O-N 3.21Å; V53-R55 VanDerWaalsContact C-N 3.29Å; V53-R55 WeakPolarHBondContact CG1-O 3.34Å; V53-R55 PolarHBondContact O-N 3.01Å; V53-Q56 HydrophobicContact CB-CB 4.47Å; V53-Q56 HydrophobicContact CG1-CB 4.39Å; V53-N96 WeakPolarHBondContact O-CA 3.36Å; V53-N96 PolarHBondContact O-N 2.87Å; V53-F97 PolarHBondContact N-O 3.17Å; V53-F97 VanDerWaalsContact N-O 3.08Å; V53-F97 PolarHBondContact O-N 3.3Å
54	K	92.2	Very high	95.1	Very high	109 Å²	109	41.8 Å²	41.8	47%	0.474	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.5	-51.7	-179.9	-86.8	-159.7	177.5	-167.2	0	112.2	R95 N96 D333	K54-R95 WeakPolarHBondContact O-CA 3.27Å; K54-R95 WeakPolarHBondContact O-CB 3.43Å; K54-R95 WeakPolarHBondContact O-CG 3.28Å; K54-N96 PolarHBondContact O-N 2.91Å; K54-D333 IonicContact NZ-OD1 3.92Å; K54-D333 IonicContact NZ-OD2 2.67Å; K54-D333 PolarHBondContact NZ-OD2 3.44Å
55	R	94.4	Very high	95.3	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.06	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.9	172.3	-87	-171.5	168.1	-83.1	1.8	110	V53 T93 K94 R95 D336 Y341	V53-R55 VanDerWaalsContact C-N 3.29Å; V53-R55 WeakPolarHBondContact CG1-O 3.34Å; V53-R55 PolarHBondContact O-N 3.01Å; R55-T93 WeakPolarHBondContact CB-OG1 3.38Å; R55-T93 WeakPolarHBondContact CD-OG1 3.41Å; R55-T93 VanDerWaalsContact NH1-CG2 3.26Å; R55-T93 PolarHBondContact NH1-O 2.91Å; R55-T93 PolarHBondContact NH1-OG1 2.9Å; R55-K94 WeakPolarHBondContact CA-O 3.42Å; R55-R95 HydrophobicContact CG-CG 3.59Å; R55-D336 PolarHBondContact NE-O 3.17Å; R55-D336 PolarHBondContact NH2-O 2.83Å; R55-Y341 HydrophobicContact CB-CD2 3.47Å; R55-Y341 VanDerWaalsContact CB-CD2 3.47Å; R55-Y341 HydrophobicContact CB-CE2 4.02Å; R55-Y341 HydrophobicContact CB-CG 4.1Å
56	Q	94	Very high	95.2	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.033	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.3	171.8	69.6	-178.4	-71.1	0	0	110.7	S47 V53 L58 C75 T93 K94 F97	S47-Q56 VanDerWaalsContact CB-OE1 3.31Å; S47-Q56 PolarHBondContact OG-OE1 3.08Å; V53-Q56 HydrophobicContact CB-CB 4.47Å; V53-Q56 HydrophobicContact CG1-CB 4.39Å; Q56-L58 HydrophobicContact CG-CD2 3.68Å; Q56-L58 HydrophobicContact CG-CG 4.06Å; Q56-C75 VanDerWaalsContact OE1-CB 3.27Å; Q56-T93 WeakPolarHBondContact O-CA 3.38Å; Q56-K94 PolarHBondContact N-O 2.84Å; Q56-K94 PolarHBondContact O-N 3.02Å; Q56-K94 VanDerWaalsContact O-N 3.08Å; Q56-F97 PolarHBondContact NE2-O 3.08Å
57	A	94.3	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.4	170.6	0	0	0	0	0	109.5	L38 Y341	L38-A57 HydrophobicContact CD2-CB 3.87Å; A57-Y341 WeakPolarHBondContact CB-OH 3.49Å; A57-Y341 PolarHBondContact N-OH 2.9Å
58	L	96.6	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.1	-179.7	-68	-175	0	0	0	112.3	Q56 I74 L91 Y92 K94 F97	Q56-L58 HydrophobicContact CG-CD2 3.68Å; Q56-L58 HydrophobicContact CG-CG 4.06Å; L58-I74 WeakPolarHBondContact CA-O 3.16Å; L58-L91 HydrophobicContact CB-CB 4.26Å; L58-L91 HydrophobicContact CB-CD1 4.3Å; L58-L91 WeakPolarHBondContact O-CA 3.41Å; L58-L91 WeakPolarHBondContact O-CB 3.3Å; L58-L91 PolarHBondContact O-N 2.99Å; L58-Y92 PolarHBondContact N-O 2.87Å; L58-K94 HydrophobicContact CB-CG 4.43Å; L58-K94 HydrophobicContact CD1-CB 3.6Å; L58-K94 HydrophobicContact CD1-CG 3.88Å; L58-K94 HydrophobicContact CG-CB 4.24Å; L58-K94 HydrophobicContact CG-CG 4.44Å; L58-F97 HydrophobicContact CD1-CB 3.73Å; L58-F97 HydrophobicContact CD1-CD1 3.36Å; L58-F97 HydrophobicContact CD1-CD2 3.65Å; L58-F97 HydrophobicContact CD1-CE1 3.82Å; L58-F97 HydrophobicContact CD1-CE2 4.07Å; L58-F97 HydrophobicContact CD1-CG 3.28Å; L58-F97 HydrophobicContact CD1-CZ 4.15Å; L58-F97 HydrophobicContact CD2-CD1 3.76Å; L58-F97 HydrophobicContact CD2-CE1 4.23Å; L58-F97 HydrophobicContact CD2-CG 4.41Å; L58-F97 HydrophobicContact CG-CD1 4.24Å; L58-F97 HydrophobicContact CG-CG 4.45Å
59	Y	97.8	Very high	94.3	Very high	19 Å²	19	46.6 Å²	46.6	8%	0.075	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.3	173.4	-54.5	-90.2	0	0	0	109.2	L38 G73 I74 L76 F89 E90	L38-Y59 WeakPolarHBondContact CD2-OH 3.3Å; Y59-G73 WeakPolarHBondContact O-CA 3.37Å; Y59-I74 PolarHBondContact N-O 3.36Å; Y59-I74 WeakPolarHBondContact O-CG1 3.2Å; Y59-I74 PolarHBondContact O-N 3.4Å; Y59-L76 HydrophobicContact CE2-CB 4.44Å; Y59-L76 HydrophobicContact CE2-CD1 3.9Å; Y59-F89 CarbonylContact C-O 3.58Å; Y59-F89 WeakPolarHBondContact CA-O 3.34Å; Y59-E90 HydrophobicContact CD1-CB 3.98Å; Y59-E90 HydrophobicContact CD1-CG 4.23Å; Y59-E90 HydrophobicContact CE1-CB 3.78Å; Y59-E90 HydrophobicContact CE1-CG 3.64Å; Y59-E90 WeakPolarHBondContact CE1-OE1 3.46Å; Y59-E90 VanDerWaalsContact CZ-OE1 3.27Å; Y59-E90 PolarHBondContact OH-OE1 3.43Å
60	A	97.7	Very high	94.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.4	162.9	0	0	0	0	0	109.6	L88 F89 L91 F130	A60-L88 CarbonylContact O-C 3.58Å; A60-L88 VanDerWaalsContact O-CA 3.27Å; A60-L88 WeakPolarHBondContact O-CA 3.39Å; A60-F89 HydrophobicContact CB-CB 4.47Å; A60-F89 HydrophobicContact CB-CD2 4.43Å; A60-F89 PolarHBondContact N-O 3.17Å; A60-F89 PolarHBondContact O-N 2.94Å; A60-L91 HydrophobicContact CB-CD1 4.05Å; A60-L91 HydrophobicContact CB-CD2 4.21Å; A60-L91 HydrophobicContact CB-CG 4.37Å; A60-F130 HydrophobicContact CB-CB 4.26Å; A60-F130 HydrophobicContact CB-CD1 4.26Å; A60-F130 VanDerWaalsContact CB-O 3.24Å; A60-F130 WeakPolarHBondContact CB-O 3.28Å
61	C	96.8	Very high	94.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	92.9	-175.5	-177.8	0	0	0	0	111.1	T63 C64 T65 I74 H83 H86 L88	C61-T63 PolarHBondContact O-N 2.86Å; C61-T63 VanDerWaalsContact O-N 3.09Å; C61-C64 HydrophobicContact CB-CB 4.21Å; C61-C64 PolarHBondContact O-N 2.76Å; C61-C64 PolarHBondContact SG-SG 2.93Å; C61-T65 PolarHBondContact O-N 3.02Å; C61-T65 PolarHBondContact O-OG1 3.36Å; C61-I74 HydrophobicContact CB-CD1 4.5Å; C61-H83 PolarHBondContact SG-ND1 3.03Å; C61-H86 VanDerWaalsContact SG-CB 3.56Å; C61-L88 HydrophobicContact CB-CD2 3.52Å
62	S	95.1	Very high	94.5	Very high	29 Å²	29	43 Å²	43	20%	0.203	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.6	-177.8	66.4	0	0	0	0	113.5	P66 K87	S62-P66 WeakPolarHBondContact O-CA 3.38Å; S62-K87 PolarHBondContact N-O 3.23Å; S62-K87 WeakPolarHBondContact OG-CB 3.45Å; S62-K87 WeakPolarHBondContact OG-CG 3.4Å; S62-K87 PolarHBondContact OG-O 3.08Å; S62-K87 VanDerWaalsContact OG-O 3.1Å
63	T	95.3	Very high	94.7	Very high	79 Å²	79	39.9 Å²	39.9	49%	0.485	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-29.6	173.2	-52.2	0	0	0	0	112.9	C61 H86 K87	C61-T63 PolarHBondContact O-N 2.86Å; C61-T63 VanDerWaalsContact O-N 3.09Å; T63-H86 HydrophobicContact CG2-CB 4.43Å; T63-K87 PolarHBondContact OG1-N 2.61Å
64	C	95.4	Very high	94.9	Very high	25 Å²	25	38.6 Å²	38.6	17%	0.169	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-36.2	-178.2	-64.1	0	0	0	0	112.8	C61 P66 H83 F106	C61-C64 HydrophobicContact CB-CB 4.21Å; C61-C64 PolarHBondContact O-N 2.76Å; C61-C64 PolarHBondContact SG-SG 2.93Å; C64-P66 WeakPolarHBondContact O-CD 3.42Å; C64-H83 VanDerWaalsContact SG-CE1 3.57Å; C64-F106 HydrophobicContact CB-CD1 3.69Å; C64-F106 HydrophobicContact CB-CE1 3.73Å
65	T	94.9	Very high	95.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	20%	0.195	C	C	.	.	S	Bend	trans	-124.2	71.1	176.6	57.4	0	0	0	0	109.3	C61 E70 A72	C61-T65 PolarHBondContact O-N 3.02Å; C61-T65 PolarHBondContact O-OG1 3.36Å; T65-E70 WeakPolarHBondContact CB-O 3.46Å; T65-E70 VanDerWaalsContact CG2-O 3.32Å; T65-E70 WeakPolarHBondContact CG2-O 3.39Å; T65-A72 HydrophobicContact CG2-CB 3.75Å
66	P	93.9	Very high	95.2	Very high	59 Å²	59	33 Å²	33	38%	0.383	19%	0.193	S	C	.	.			trans	-64.5	171.7	171.9	28.6	-36.8	0	0	0	111.9	S62 C64 G68 E69	S62-P66 WeakPolarHBondContact O-CA 3.38Å; C64-P66 WeakPolarHBondContact O-CD 3.42Å; P66-G68 PolarHBondContact O-N 3.37Å; P66-E69 HydrophobicContact CG-CG 3.87Å; P66-E69 WeakPolarHBondContact O-CB 3.34Å; P66-E69 PolarHBondContact O-N 3.44Å; P66-E69 VanDerWaalsContact O-N 3.11Å
67	E	89.7	Confident	95.3	Very high	171 Å²	171	32.7 Å²	32.7	80%	0.799	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.5	175.1	-169.3	-178.2	177.5	0	0	111.7
68	G	89.3	Confident	95.5	Very high	76 Å²	76	32.7 Å²	32.7	78%	0.784	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	-13.4	-176.2	0	0	0	0	0	115.2	P66	P66-G68 PolarHBondContact O-N 3.37Å
69	E	93.3	Very high	95.5	Very high	75 Å²	75	32.9 Å²	32.9	35%	0.35	19%	0.193	S	C	.	.	S	Bend	trans	-86.6	172.2	168	-59.8	-68.1	155.2	0	0	111.5	P66 K107 F131	P66-E69 HydrophobicContact CG-CG 3.87Å; P66-E69 WeakPolarHBondContact O-CB 3.34Å; P66-E69 PolarHBondContact O-N 3.44Å; P66-E69 VanDerWaalsContact O-N 3.11Å; E69-K107 IonicContact OE1-NZ 2.94Å; E69-K107 PolarHBondContact OE1-NZ 3.42Å; E69-K107 WeakPolarHBondContact OE2-CE 3.32Å; E69-K107 IonicContact OE2-NZ 3.03Å; E69-K107 PolarHBondContact OE2-NZ 2.77Å; E69-F131 WeakPolarHBondContact O-CZ 3.4Å
70	E	93.9	Very high	95.1	Very high	114 Å²	114	37.9 Å²	37.9	53%	0.533	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-69.1	137.6	171.5	-69.6	-164.5	-177.3	0	0	111.6	T65 K105	T65-E70 WeakPolarHBondContact CB-O 3.46Å; T65-E70 VanDerWaalsContact CG2-O 3.32Å; T65-E70 WeakPolarHBondContact CG2-O 3.39Å; E70-K105 HydrophobicContact CB-CG 4.44Å; E70-K105 IonicContact OE2-NZ 2.62Å; E70-K105 PolarHBondContact OE2-NZ 3.13Å
71	P	96.3	Very high	95.1	Very high	28 Å²	28	42.6 Å²	42.6	18%	0.182	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-68.4	145.7	175.4	29.7	-33.8	0	0	0	110.9	K105 Y126 F130 F131	P71-K105 WeakPolarHBondContact O-CD 3.21Å; P71-K105 WeakPolarHBondContact O-CE 3.31Å; P71-K105 PolarHBondContact O-NZ 2.96Å; P71-Y126 HydrophobicContact CB-CD1 3.83Å; P71-Y126 HydrophobicContact CB-CG 4.1Å; P71-Y126 HydrophobicContact CG-CD1 3.93Å; P71-Y126 HydrophobicContact CG-CD2 4.36Å; P71-Y126 HydrophobicContact CG-CG 3.72Å; P71-Y126 WeakPolarHBondContact O-CE1 3.49Å; P71-F130 HydrophobicContact CB-CB 3.76Å; P71-F130 HydrophobicContact CB-CG 4.32Å; P71-F131 HydrophobicContact CB-CE2 4Å; P71-F131 HydrophobicContact CB-CZ 3.82Å; P71-F131 HydrophobicContact CG-CE2 4.3Å; P71-F131 HydrophobicContact CG-CZ 4.17Å
72	A	97.4	Very high	95	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	24%	0.238	C	C	.	.			trans	-142.3	142.5	178.4	0	0	0	0	0	110.9	T65 D100 K105 F106	T65-A72 HydrophobicContact CG2-CB 3.75Å; A72-D100 HydrophobicContact CB-CB 3.97Å; A72-K105 HydrophobicContact CB-CB 4.06Å; A72-K105 HydrophobicContact CB-CD 3.86Å; A72-F106 HydrophobicContact CB-CE2 3.69Å; A72-F106 HydrophobicContact CB-CZ 3.61Å
73	G	97.6	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.			trans	-113.5	134.7	174.5	0	0	0	0	0	112.3	Y59 D100	Y59-G73 WeakPolarHBondContact O-CA 3.37Å; G73-D100 PolarHBondContact N-OD2 3.05Å; G73-D100 WeakPolarHBondContact O-CB 3.16Å; G73-D100 PolarHBondContact O-N 3.32Å
74	I	98.1	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.8	176.4	70.2	177.8	0	0	0	110.4	L58 Y59 C61 C78 H83 L88 C101 F106	L58-I74 WeakPolarHBondContact CA-O 3.16Å; Y59-I74 PolarHBondContact N-O 3.36Å; Y59-I74 WeakPolarHBondContact O-CG1 3.2Å; Y59-I74 PolarHBondContact O-N 3.4Å; C61-I74 HydrophobicContact CB-CD1 4.5Å; I74-C78 HydrophobicContact CB-CB 4.09Å; I74-H83 HydrophobicContact CD1-CB 3.8Å; I74-H83 WeakPolarHBondContact CD1-CD2 3.24Å; I74-L88 HydrophobicContact CD1-CD2 4.08Å; I74-C101 HydrophobicContact CB-CB 4.19Å; I74-C101 HydrophobicContact CG2-CB 3.68Å; I74-F106 HydrophobicContact CG2-CE1 4.36Å; I74-F106 HydrophobicContact CG2-CZ 3.75Å
75	C	97.7	Very high	94.5	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	166.2	176	67.6	0	0	0	0	112.1	S47 Q56 A77 C78 S79 C99	S47-C75 PolarHBondContact N-SG 3.45Å; S47-C75 WeakPolarHBondContact OG-CB 3.33Å; Q56-C75 VanDerWaalsContact OE1-CB 3.27Å; C75-A77 PolarHBondContact O-N 3.39Å; C75-C78 WeakPolarHBondContact O-CA 3.33Å; C75-C78 WeakPolarHBondContact O-CB 3.49Å; C75-C78 PolarHBondContact O-N 3.46Å; C75-C78 VanDerWaalsContact SG-SG 3.69Å; C75-S79 PolarHBondContact O-N 3.37Å; C75-C99 HydrophobicContact CB-CB 3.99Å; C75-C99 PolarHBondContact N-SG 2.64Å; C75-C99 VanDerWaalsContact N-SG 3.42Å
76	L	95.4	Very high	94.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-43.7	-59.7	177.8	-173.2	65.1	0	0	0	114.1	L38 Y59 C78 S79 Y80	L38-L76 HydrophobicContact CD1-CD1 4.3Å; L38-L76 HydrophobicContact CD1-CD2 3.99Å; L38-L76 HydrophobicContact CD2-CD1 3.74Å; L38-L76 HydrophobicContact CD2-CD2 4.12Å; L38-L76 HydrophobicContact CG-CD2 4.45Å; Y59-L76 HydrophobicContact CE2-CB 4.44Å; Y59-L76 HydrophobicContact CE2-CD1 3.9Å; L76-C78 PolarHBondContact O-N 3.45Å; L76-S79 PolarHBondContact O-N 3.45Å; L76-S79 PolarHBondContact O-OG 3.08Å; L76-Y80 HydrophobicContact CD1-CD2 4.41Å; L76-Y80 HydrophobicContact CD1-CE2 3.5Å; L76-Y80 WeakPolarHBondContact CD1-OH 3.27Å; L76-Y80 HydrophobicContact CD2-CE2 4.42Å; L76-Y80 HydrophobicContact CG-CD2 4.39Å; L76-Y80 HydrophobicContact CG-CE2 3.73Å; L76-Y80 PolarHBondContact O-N 3.35Å
77	A	95.4	Very high	94.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-30.6	179.3	0	0	0	0	0	114.5	D42 S43 K45 C75 E81 L113	D42-A77 PolarHBondContact O-N 3.25Å; S43-A77 VanDerWaalsContact C-CB 3.45Å; S43-A77 VanDerWaalsContact O-CA 3.24Å; S43-A77 WeakPolarHBondContact O-CA 3.41Å; S43-A77 VanDerWaalsContact O-CB 3.3Å; S43-A77 WeakPolarHBondContact O-CB 3.49Å; K45-A77 WeakPolarHBondContact O-CB 3.32Å; C75-A77 PolarHBondContact O-N 3.39Å; A77-E81 WeakPolarHBondContact O-CB 3.47Å; A77-E81 PolarHBondContact O-N 2.96Å; A77-E81 VanDerWaalsContact O-N 3.08Å; A77-L113 HydrophobicContact CB-CD1 3.57Å; A77-L113 WeakPolarHBondContact O-CD1 3.37Å
78	C	97.6	Very high	94.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-79.8	-29.5	176.6	-69.7	0	0	0	0	113.1	I74 C75 L76 Y80 C82 H83 C101 C111	I74-C78 HydrophobicContact CB-CB 4.09Å; C75-C78 WeakPolarHBondContact O-CA 3.33Å; C75-C78 WeakPolarHBondContact O-CB 3.49Å; C75-C78 PolarHBondContact O-N 3.46Å; C75-C78 VanDerWaalsContact SG-SG 3.69Å; L76-C78 PolarHBondContact O-N 3.45Å; C78-Y80 VanDerWaalsContact C-N 3.3Å; C78-C82 WeakPolarHBondContact O-CA 3.16Å; C78-C82 WeakPolarHBondContact O-CB 3.21Å; C78-C82 PolarHBondContact O-N 2.88Å; C78-H83 PolarHBondContact O-CD2 2.59Å; C78-H83 PolarHBondContact O-N 3.13Å; C78-H83 VanDerWaalsContact O-N 3.09Å; C78-C101 HydrophobicContact CB-CB 3.85Å; C78-C111 VanDerWaalsContact SG-SG 3.66Å
79	S	96.6	Very high	94.9	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.028	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.9	64.3	0	0	0	0	110.7	C75 L76 H83 G84	C75-S79 PolarHBondContact O-N 3.37Å; L76-S79 PolarHBondContact O-N 3.45Å; L76-S79 PolarHBondContact O-OG 3.08Å; S79-H83 CarbonylContact O-C 3Å; S79-H83 WeakPolarHBondContact O-CA 3.37Å; S79-H83 PolarHBondContact O-N 2.89Å; S79-G84 WeakPolarHBondContact O-CA 3.36Å; S79-G84 PolarHBondContact O-N 2.85Å
80	Y	91	Very high	95	Very high	125 Å²	125	43.9 Å²	43.9	49%	0.49	23%	0.233	S	C	.	.	H	α-helix	trans	-72.3	-64.6	173.1	-54.2	-43.6	0	0	0	112.4	L76 C78 C82 G84	L76-Y80 HydrophobicContact CD1-CD2 4.41Å; L76-Y80 HydrophobicContact CD1-CE2 3.5Å; L76-Y80 WeakPolarHBondContact CD1-OH 3.27Å; L76-Y80 HydrophobicContact CD2-CE2 4.42Å; L76-Y80 HydrophobicContact CG-CD2 4.39Å; L76-Y80 HydrophobicContact CG-CE2 3.73Å; L76-Y80 PolarHBondContact O-N 3.35Å; C78-Y80 VanDerWaalsContact C-N 3.3Å; Y80-C82 PolarHBondContact O-N 3.11Å; Y80-G84 WeakPolarHBondContact O-CA 3.49Å; Y80-G84 PolarHBondContact O-N 3.04Å; Y80-G84 VanDerWaalsContact O-N 3.08Å
81	E	96.2	Very high	95	Very high	99 Å²	99	38.4 Å²	38.4	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-72.3	-36.5	-166.1	-75.2	-63.5	142.2	0	0	114.2	A77 K112 L113	A77-E81 WeakPolarHBondContact O-CB 3.47Å; A77-E81 PolarHBondContact O-N 2.96Å; A77-E81 VanDerWaalsContact O-N 3.08Å; E81-K112 WeakPolarHBondContact O-CD 3.47Å; E81-K112 VanDerWaalsContact O-CE 3.28Å; E81-K112 WeakPolarHBondContact O-CE 3.29Å; E81-K112 PolarHBondContact O-NZ 3.34Å; E81-L113 HydrophobicContact CB-CD1 3.98Å; E81-L113 HydrophobicContact CB-CD2 4.32Å; E81-L113 HydrophobicContact CB-CG 4.07Å; E81-L113 HydrophobicContact CG-CD1 4.15Å; E81-L113 HydrophobicContact CG-CD2 4.13Å; E81-L113 HydrophobicContact CG-CG 4.34Å
82	C	95.8	Very high	94.8	Very high	11 Å²	11	41.7 Å²	41.7	7%	0.074	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-26.6	-175.1	-60.2	0	0	0	0	112.5	C78 Y80 K112	C78-C82 WeakPolarHBondContact O-CA 3.16Å; C78-C82 WeakPolarHBondContact O-CB 3.21Å; C78-C82 PolarHBondContact O-N 2.88Å; Y80-C82 PolarHBondContact O-N 3.11Å; C82-K112 PolarHBondContact SG-N 2.92Å; C82-K112 VanDerWaalsContact SG-N 3.37Å
83	H	94.7	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	14.5	-172.2	-59.4	-99.2	0	0	0	115.1	C61 C64 I74 C78 S79 S85 H86 L88 C101 F106	C61-H83 PolarHBondContact SG-ND1 3.03Å; C64-H83 VanDerWaalsContact SG-CE1 3.57Å; I74-H83 HydrophobicContact CD1-CB 3.8Å; I74-H83 WeakPolarHBondContact CD1-CD2 3.24Å; C78-H83 PolarHBondContact O-CD2 2.59Å; C78-H83 PolarHBondContact O-N 3.13Å; C78-H83 VanDerWaalsContact O-N 3.09Å; S79-H83 CarbonylContact O-C 3Å; S79-H83 WeakPolarHBondContact O-CA 3.37Å; S79-H83 PolarHBondContact O-N 2.89Å; H83-S85 PolarHBondContact O-N 3.22Å; H83-H86 WeakPolarHBondContact CA-ND1 3.5Å; H83-H86 HydrophobicContact CB-CB 4.24Å; H83-H86 AromaticContact CG-ND1 3.64Å; H83-H86 AromaticContact ND1-CE1 3.92Å; H83-H86 AromaticContact ND1-ND1 3.17Å; H83-H86 PolarHBondContact ND1-ND1 3.33Å; H83-H86 VanDerWaalsContact ND1-ND1 3.17Å; H83-H86 WeakPolarHBondContact O-CB 3.43Å; H83-H86 PolarHBondContact O-N 3.1Å; H83-L88 HydrophobicContact CB-CD1 4.43Å; H83-L88 HydrophobicContact CB-CD2 3.99Å; H83-C101 PolarHBondContact NE2-SG 2.84Å; H83-F106 AromaticContact CE1-CD1 3.89Å; H83-F106 AromaticContact CE1-CE1 3.48Å; H83-F106 VanDerWaalsContact CE1-CE1 3.48Å; H83-F106 WeakPolarHBondContact CE1-CE1 3.44Å; H83-F106 AromaticContact NE2-CE1 3.94Å
84	G	88.8	Confident	94.6	Very high	61 Å²	61	42.1 Å²	42.1	63%	0.629	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13	-173.1	0	0	0	0	0	116.3	S79 Y80	S79-G84 WeakPolarHBondContact O-CA 3.36Å; S79-G84 PolarHBondContact O-N 2.85Å; Y80-G84 WeakPolarHBondContact O-CA 3.49Å; Y80-G84 PolarHBondContact O-N 3.04Å; Y80-G84 VanDerWaalsContact O-N 3.08Å
85	S	90.9	Very high	94.5	Very high	114 Å²	114	43.3 Å²	43.3	80%	0.797	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	5.6	173	59.6	0	0	0	0	114.1	H83	H83-S85 PolarHBondContact O-N 3.22Å
86	H	93.6	Very high	94.4	Very high	56 Å²	56	46.8 Å²	46.8	26%	0.259	24%	0.242	S	C	.	.	S	Bend	trans	-98.4	158.9	-178.9	-63.7	146	0	0	0	112	C61 T63 H83 L88	C61-H86 VanDerWaalsContact SG-CB 3.56Å; T63-H86 HydrophobicContact CG2-CB 4.43Å; H83-H86 WeakPolarHBondContact CA-ND1 3.5Å; H83-H86 HydrophobicContact CB-CB 4.24Å; H83-H86 AromaticContact CG-ND1 3.64Å; H83-H86 AromaticContact ND1-CE1 3.92Å; H83-H86 AromaticContact ND1-ND1 3.17Å; H83-H86 PolarHBondContact ND1-ND1 3.33Å; H83-H86 VanDerWaalsContact ND1-ND1 3.17Å; H83-H86 WeakPolarHBondContact O-CB 3.43Å; H83-H86 PolarHBondContact O-N 3.1Å; H86-L88 HydrophobicContact CB-CD2 4.45Å; H86-L88 PolarHBondContact O-N 2.84Å
87	K	94.1	Very high	94.5	Very high	136 Å²	136	46.8 Å²	46.8	59%	0.591	24%	0.241	S	C	*	.			trans	-76.7	115.7	170.2	-176	178.2	178.9	-179.1	0	108.8	S62 T63	S62-K87 PolarHBondContact N-O 3.23Å; S62-K87 WeakPolarHBondContact OG-CB 3.45Å; S62-K87 WeakPolarHBondContact OG-CG 3.4Å; S62-K87 PolarHBondContact OG-O 3.08Å; S62-K87 VanDerWaalsContact OG-O 3.1Å; T63-K87 PolarHBondContact OG1-N 2.61Å
88	L	94.6	Very high	94.6	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.257	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.4	179.2	-60	-174.8	0	0	0	111.3	A60 C61 I74 H83 H86	A60-L88 CarbonylContact O-C 3.58Å; A60-L88 VanDerWaalsContact O-CA 3.27Å; A60-L88 WeakPolarHBondContact O-CA 3.39Å; C61-L88 HydrophobicContact CB-CD2 3.52Å; I74-L88 HydrophobicContact CD1-CD2 4.08Å; H83-L88 HydrophobicContact CB-CD1 4.43Å; H83-L88 HydrophobicContact CB-CD2 3.99Å; H86-L88 HydrophobicContact CB-CD2 4.45Å; H86-L88 PolarHBondContact O-N 2.84Å
89	F	94.7	Very high	94.6	Very high	40 Å²	40	49.9 Å²	49.9	18%	0.175	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.2	162.9	-56.2	-54.9	0	0	0	108.1	Y59 A60 L91 F131	Y59-F89 CarbonylContact C-O 3.58Å; Y59-F89 WeakPolarHBondContact CA-O 3.34Å; A60-F89 HydrophobicContact CB-CB 4.47Å; A60-F89 HydrophobicContact CB-CD2 4.43Å; A60-F89 PolarHBondContact N-O 3.17Å; A60-F89 PolarHBondContact O-N 2.94Å; F89-L91 HydrophobicContact CB-CD2 4.32Å; F89-F131 VanDerWaalsContact CE2-C 3.4Å; F89-F131 WeakPolarHBondContact CE2-O 3.24Å
90	E	94	Very high	94.7	Very high	76 Å²	76	49.7 Å²	49.7	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.9	170.9	-177.2	151.2	-131.3	0	0	109.7	Y59 Y92	Y59-E90 HydrophobicContact CD1-CB 3.98Å; Y59-E90 HydrophobicContact CD1-CG 4.23Å; Y59-E90 HydrophobicContact CE1-CB 3.78Å; Y59-E90 HydrophobicContact CE1-CG 3.64Å; Y59-E90 WeakPolarHBondContact CE1-OE1 3.46Å; Y59-E90 VanDerWaalsContact CZ-OE1 3.27Å; Y59-E90 PolarHBondContact OH-OE1 3.43Å; E90-Y92 HydrophobicContact CG-CD2 4.36Å; E90-Y92 HydrophobicContact CG-CE2 4.5Å
91	L	94.1	Very high	95	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	1.3	-178.1	-50.7	-177.5	0	0	0	112.2	L58 A60 F89 K94 N129 F130	L58-L91 HydrophobicContact CB-CB 4.26Å; L58-L91 HydrophobicContact CB-CD1 4.3Å; L58-L91 WeakPolarHBondContact O-CA 3.41Å; L58-L91 WeakPolarHBondContact O-CB 3.3Å; L58-L91 PolarHBondContact O-N 2.99Å; A60-L91 HydrophobicContact CB-CD1 4.05Å; A60-L91 HydrophobicContact CB-CD2 4.21Å; A60-L91 HydrophobicContact CB-CG 4.37Å; F89-L91 HydrophobicContact CB-CD2 4.32Å; L91-K94 HydrophobicContact CB-CG 4.41Å; L91-K94 WeakPolarHBondContact O-CE 3.4Å; L91-N129 HydrophobicContact CD2-CB 3.96Å; L91-N129 VanDerWaalsContact CD2-O 3.28Å; L91-N129 WeakPolarHBondContact CD2-O 3.4Å; L91-F130 HydrophobicContact CD1-CD1 3.57Å; L91-F130 HydrophobicContact CD1-CD2 4.12Å; L91-F130 HydrophobicContact CD1-CE1 3.47Å; L91-F130 VanDerWaalsContact CD1-CE1 3.47Å; L91-F130 HydrophobicContact CD1-CE2 4.04Å; L91-F130 HydrophobicContact CD1-CG 3.93Å; L91-F130 HydrophobicContact CD1-CZ 3.72Å
92	Y	93.2	Very high	95	Very high	97 Å²	97	40 Å²	40	38%	0.38	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.9	-154.5	-168.9	-62.4	-99.6	0	0	0	111.4	V37 L58 E90 W161	V37-Y92 HydrophobicContact CG1-CD1 3.83Å; V37-Y92 HydrophobicContact CG1-CE1 4.09Å; L58-Y92 PolarHBondContact N-O 2.87Å; E90-Y92 HydrophobicContact CG-CD2 4.36Å; E90-Y92 HydrophobicContact CG-CE2 4.5Å; Y92-W161 HydrophobicContact CD1-CZ2 4.36Å; Y92-W161 AromaticContact CD2-CE2 3.89Å; Y92-W161 HydrophobicContact CD2-CH2 4.26Å; Y92-W161 AromaticContact CD2-CZ2 3.41Å; Y92-W161 HydrophobicContact CD2-CZ2 3.41Å; Y92-W161 VanDerWaalsContact CD2-CZ2 3.41Å; Y92-W161 AromaticContact CD2-NE1 3.96Å; Y92-W161 HydrophobicContact CE2-CH2 4.49Å; Y92-W161 AromaticContact CE2-CZ2 3.96Å; Y92-W161 HydrophobicContact CE2-CZ2 3.96Å; Y92-W161 HydrophobicContact CG-CH2 4.37Å; Y92-W161 AromaticContact CG-CZ2 3.64Å; Y92-W161 HydrophobicContact CG-CZ2 3.64Å
93	T	94.1	Very high	94.9	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.6	-179.1	174.6	0	0	0	0	112.8	R55 Q56 V338 Y341	R55-T93 WeakPolarHBondContact CB-OG1 3.38Å; R55-T93 WeakPolarHBondContact CD-OG1 3.41Å; R55-T93 VanDerWaalsContact NH1-CG2 3.26Å; R55-T93 PolarHBondContact NH1-O 2.91Å; R55-T93 PolarHBondContact NH1-OG1 2.9Å; Q56-T93 WeakPolarHBondContact O-CA 3.38Å; T93-V338 HydrophobicContact CG2-CG1 4.01Å; T93-V338 HydrophobicContact CG2-CG2 4.21Å; T93-Y341 HydrophobicContact CG2-CD1 3.72Å; T93-Y341 HydrophobicContact CG2-CE1 3.86Å; T93-Y341 HydrophobicContact CG2-CG 4.43Å
94	K	95.7	Very high	94.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.017	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.7	179.9	-63.9	-72	-170.3	161.8	0	111.4	R55 Q56 L58 L91 N129 E159	R55-K94 WeakPolarHBondContact CA-O 3.42Å; Q56-K94 PolarHBondContact N-O 2.84Å; Q56-K94 PolarHBondContact O-N 3.02Å; Q56-K94 VanDerWaalsContact O-N 3.08Å; L58-K94 HydrophobicContact CB-CG 4.43Å; L58-K94 HydrophobicContact CD1-CB 3.6Å; L58-K94 HydrophobicContact CD1-CG 3.88Å; L58-K94 HydrophobicContact CG-CB 4.24Å; L58-K94 HydrophobicContact CG-CG 4.44Å; L91-K94 HydrophobicContact CB-CG 4.41Å; L91-K94 WeakPolarHBondContact O-CE 3.4Å; K94-N129 PolarHBondContact NZ-ND2 3.2Å; K94-E159 HydrophobicContact CD-CB 3.8Å; K94-E159 HydrophobicContact CD-CG 4.45Å; K94-E159 VanDerWaalsContact CD-OE2 3.28Å; K94-E159 WeakPolarHBondContact CD-OE2 3.29Å; K94-E159 PolarHBondContact NZ-O 3.13Å
95	R	96	Very high	95.2	Very high	24 Å²	24	41.8 Å²	41.8	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146.6	-171.6	-74.5	170.6	-65.9	-159.4	2.9	116.2	K54 R55 F97 V156 E159 D336	K54-R95 WeakPolarHBondContact O-CA 3.27Å; K54-R95 WeakPolarHBondContact O-CB 3.43Å; K54-R95 WeakPolarHBondContact O-CG 3.28Å; R55-R95 HydrophobicContact CG-CG 3.59Å; R95-F97 PolarHBondContact O-N 2.89Å; R95-V156 VanDerWaalsContact CZ-O 3.3Å; R95-V156 PolarHBondContact NH1-O 3.2Å; R95-V156 PolarHBondContact NH2-O 3.46Å; R95-E159 WeakPolarHBondContact CB-OE1 3.36Å; R95-E159 VanDerWaalsContact CG-OE1 3.26Å; R95-E159 WeakPolarHBondContact CG-OE1 3.35Å; R95-E159 IonicContact CZ-OE1 3.66Å; R95-E159 PolarHBondContact N-OE1 3Å; R95-E159 PolarHBondContact N-OE2 2.82Å; R95-E159 IonicContact NE-OE1 2.84Å; R95-E159 PolarHBondContact NE-OE1 3.11Å; R95-E159 VanDerWaalsContact NH2-CG 3.33Å; R95-E159 IonicContact NH2-OE1 3.18Å; R95-E159 PolarHBondContact NH2-OE1 3.07Å; R95-D336 VanDerWaalsContact CD-OD1 3.3Å; R95-D336 WeakPolarHBondContact CD-OD1 3.29Å; R95-D336 WeakPolarHBondContact CD-OD2 3.32Å; R95-D336 IonicContact CZ-OD1 3.9Å; R95-D336 IonicContact NE-OD1 2.62Å; R95-D336 IonicContact NH1-OD1 3.15Å; R95-D336 PolarHBondContact NH1-OD1 3.47Å
96	N	96.1	Very high	95.4	Very high	77 Å²	77	37 Å²	37	41%	0.412	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.6	25.8	173.3	-62.3	-51.9	0	0	0	114.6	S52 V53 K54	S52-N96 WeakPolarHBondContact CB-O 3.49Å; S52-N96 PolarHBondContact OG-O 3.05Å; V53-N96 WeakPolarHBondContact O-CA 3.36Å; V53-N96 PolarHBondContact O-N 2.87Å; K54-N96 PolarHBondContact O-N 2.91Å
97	F	97.1	Very high	95.1	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.6	-173	-158.7	-84.3	0	0	0	111.4	V53 Q56 L58 R95 D100 N124 Y126 F130	V53-F97 PolarHBondContact N-O 3.17Å; V53-F97 VanDerWaalsContact N-O 3.08Å; V53-F97 PolarHBondContact O-N 3.3Å; Q56-F97 PolarHBondContact NE2-O 3.08Å; L58-F97 HydrophobicContact CD1-CB 3.73Å; L58-F97 HydrophobicContact CD1-CD1 3.36Å; L58-F97 HydrophobicContact CD1-CD2 3.65Å; L58-F97 HydrophobicContact CD1-CE1 3.82Å; L58-F97 HydrophobicContact CD1-CE2 4.07Å; L58-F97 HydrophobicContact CD1-CG 3.28Å; L58-F97 HydrophobicContact CD1-CZ 4.15Å; L58-F97 HydrophobicContact CD2-CD1 3.76Å; L58-F97 HydrophobicContact CD2-CE1 4.23Å; L58-F97 HydrophobicContact CD2-CG 4.41Å; L58-F97 HydrophobicContact CG-CD1 4.24Å; L58-F97 HydrophobicContact CG-CG 4.45Å; R95-F97 PolarHBondContact O-N 2.89Å; F97-D100 VanDerWaalsContact CZ-OD2 3.31Å; F97-D100 WeakPolarHBondContact CZ-OD2 3.41Å; F97-N124 HydrophobicContact CD2-CB 3.98Å; F97-N124 VanDerWaalsContact CE1-ND2 3.27Å; F97-N124 WeakPolarHBondContact CE1-ND2 3.33Å; F97-N124 HydrophobicContact CE2-CB 3.66Å; F97-N124 HydrophobicContact CZ-CB 4.04Å; F97-N124 WeakPolarHBondContact CZ-ND2 3.47Å; F97-Y126 HydrophobicContact CE2-CD1 4.25Å; F97-Y126 AromaticContact CE2-CE1 3.86Å; F97-Y126 HydrophobicContact CE2-CE1 3.86Å; F97-Y126 HydrophobicContact CZ-CD1 4.44Å; F97-Y126 AromaticContact CZ-CE1 3.72Å; F97-Y126 HydrophobicContact CZ-CE1 3.72Å; F97-F130 HydrophobicContact CD2-CZ 4.45Å; F97-F130 AromaticContact CE2-CE1 3.87Å; F97-F130 HydrophobicContact CE2-CE1 3.87Å; F97-F130 AromaticContact CE2-CZ 3.7Å; F97-F130 HydrophobicContact CE2-CZ 3.7Å; F97-F130 AromaticContact CZ-CE1 3.92Å; F97-F130 HydrophobicContact CZ-CE1 3.92Å; F97-F130 HydrophobicContact CZ-CZ 4.24Å
98	R	97.3	Very high	94.7	Very high	65 Å²	65	41.6 Å²	41.6	25%	0.245	21%	0.212	C	C	.	.			trans	-127.5	127.4	175.3	-172.2	170.4	-165.5	-162.7	10.1	110.7	Y48 G51 D100 N121 N124	Y48-R98 HydrophobicContact CD2-CG 3.61Å; Y48-R98 HydrophobicContact CE2-CG 4.02Å; Y48-R98 HydrophobicContact CG-CG 4.27Å; Y48-R98 PolarHBondContact O-NE 2.91Å; Y48-R98 PolarHBondContact O-NH2 2.65Å; Y48-R98 PolarHBondContact OH-NH1 3.09Å; G51-R98 WeakPolarHBondContact O-CB 3.22Å; G51-R98 WeakPolarHBondContact O-CG 3.42Å; R98-D100 PolarHBondContact O-N 3.03Å; R98-N121 WeakPolarHBondContact CD-OD1 3.34Å; R98-N121 PolarHBondContact O-ND2 2.99Å; R98-N124 PolarHBondContact N-OD1 2.66Å; R98-N124 PolarHBondContact O-ND2 2.86Å
99	C	97.8	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.			trans	-55.8	120	-172.6	176.1	0	0	0	0	113.7	Y48 C75 C101	Y48-C99 WeakPolarHBondContact CD2-O 3.48Å; C75-C99 HydrophobicContact CB-CB 3.99Å; C75-C99 PolarHBondContact N-SG 2.64Å; C75-C99 VanDerWaalsContact N-SG 3.42Å; C99-C101 VanDerWaalsContact SG-CB 3.59Å
100	D	98.1	Very high	94.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.			trans	-80.4	-16.4	-179	-67.8	-56.7	0	0	0	114.3	A72 G73 F97 R98 G102 N103 K105 F106 N121 N124 Y126	A72-D100 HydrophobicContact CB-CB 3.97Å; G73-D100 PolarHBondContact N-OD2 3.05Å; G73-D100 WeakPolarHBondContact O-CB 3.16Å; G73-D100 PolarHBondContact O-N 3.32Å; F97-D100 VanDerWaalsContact CZ-OD2 3.31Å; F97-D100 WeakPolarHBondContact CZ-OD2 3.41Å; R98-D100 PolarHBondContact O-N 3.03Å; D100-G102 PolarHBondContact O-N 2.79Å; D100-N103 WeakPolarHBondContact CA-ND2 3.44Å; D100-N103 WeakPolarHBondContact CB-ND2 3.22Å; D100-N103 VanDerWaalsContact O-CB 3.29Å; D100-N103 WeakPolarHBondContact O-CB 3.49Å; D100-N103 PolarHBondContact O-N 3.09Å; D100-N103 PolarHBondContact O-ND2 2.95Å; D100-N103 PolarHBondContact O-OD1 3.36Å; D100-N103 PolarHBondContact OD1-ND2 3.45Å; D100-K105 HydrophobicContact CB-CD 4.31Å; D100-F106 VanDerWaalsContact C-CE2 3.49Å; D100-F106 HydrophobicContact CB-CE2 3.91Å; D100-F106 WeakPolarHBondContact O-CD2 3.32Å; D100-F106 WeakPolarHBondContact O-CE2 3.23Å; D100-N121 PolarHBondContact OD1-ND2 2.87Å; D100-N124 PolarHBondContact OD1-ND2 2.71Å; D100-N124 PolarHBondContact OD2-ND2 3.05Å; D100-Y126 PolarHBondContact OD1-OH 2.86Å; D100-Y126 PolarHBondContact OD2-OH 3.07Å
101	C	97.8	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	122.6	-173.2	175.4	0	0	0	0	112	I74 C78 H83 C99 N103 C111 K117	I74-C101 HydrophobicContact CB-CB 4.19Å; I74-C101 HydrophobicContact CG2-CB 3.68Å; C78-C101 HydrophobicContact CB-CB 3.85Å; H83-C101 PolarHBondContact NE2-SG 2.84Å; C99-C101 VanDerWaalsContact SG-CB 3.59Å; C101-N103 VanDerWaalsContact C-N 3.32Å; C101-N103 PolarHBondContact O-N 3.37Å; C101-C111 HydrophobicContact CB-CB 4.48Å; C101-C111 WeakPolarHBondContact O-CB 3.4Å; C101-C111 VanDerWaalsContact SG-SG 3.69Å; C101-K117 VanDerWaalsContact O-CD 3.3Å; C101-K117 WeakPolarHBondContact O-CD 3.3Å; C101-K117 WeakPolarHBondContact O-CE 3.35Å; C101-K117 PolarHBondContact O-NZ 2.74Å
102	G	95.8	Very high	94.9	Very high	20 Å²	20	50 Å²	50	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	5.8	179.1	0	0	0	0	0	117	D100 F106 L109	D100-G102 PolarHBondContact O-N 2.79Å; G102-F106 VanDerWaalsContact N-CD2 3.34Å; G102-L109 WeakPolarHBondContact CA-O 3.48Å
103	N	95.5	Very high	95.1	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.043	25%	0.245	C	C	.	.	S	Bend	trans	-80.5	-174.6	168.2	81.8	11.2	0	0	0	111.5	D100 C101 K105 F106 A118 K119 N121	D100-N103 WeakPolarHBondContact CA-ND2 3.44Å; D100-N103 WeakPolarHBondContact CB-ND2 3.22Å; D100-N103 VanDerWaalsContact O-CB 3.29Å; D100-N103 WeakPolarHBondContact O-CB 3.49Å; D100-N103 PolarHBondContact O-N 3.09Å; D100-N103 PolarHBondContact O-ND2 2.95Å; D100-N103 PolarHBondContact O-OD1 3.36Å; D100-N103 PolarHBondContact OD1-ND2 3.45Å; C101-N103 VanDerWaalsContact C-N 3.32Å; C101-N103 PolarHBondContact O-N 3.37Å; N103-K105 PolarHBondContact O-N 3.1Å; N103-K105 VanDerWaalsContact OD1-CB 3.27Å; N103-K105 WeakPolarHBondContact OD1-CB 3.44Å; N103-K105 WeakPolarHBondContact OD1-CG 3.37Å; N103-K105 PolarHBondContact OD1-N 3.12Å; N103-F106 PolarHBondContact O-N 3.27Å; N103-A118 WeakPolarHBondContact CB-O 3.41Å; N103-K119 VanDerWaalsContact CB-O 3.32Å; N103-K119 WeakPolarHBondContact CB-O 3.33Å; N103-K119 VanDerWaalsContact CG-O 3.3Å; N103-N121 PolarHBondContact ND2-ND2 3.18Å
104	S	94.8	Very high	95.2	Very high	77 Å²	77	50.2 Å²	50.2	54%	0.538	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-2.3	-172.3	67.2	0	0	0	0	115.4	F106 K119	S104-F106 VanDerWaalsContact C-N 3.26Å; S104-K119 PolarHBondContact N-O 3.19Å; S104-K119 PolarHBondContact OG-O 2.78Å
105	K	94.3	Very high	95	Very high	25 Å²	25	54 Å²	54	11%	0.109	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16	168.4	-63	171.6	166.9	-68.6	0	112.5	E70 P71 A72 D100 N103 Y126	E70-K105 HydrophobicContact CB-CG 4.44Å; E70-K105 IonicContact OE2-NZ 2.62Å; E70-K105 PolarHBondContact OE2-NZ 3.13Å; P71-K105 WeakPolarHBondContact O-CD 3.21Å; P71-K105 WeakPolarHBondContact O-CE 3.31Å; P71-K105 PolarHBondContact O-NZ 2.96Å; A72-K105 HydrophobicContact CB-CB 4.06Å; A72-K105 HydrophobicContact CB-CD 3.86Å; D100-K105 HydrophobicContact CB-CD 4.31Å; N103-K105 PolarHBondContact O-N 3.1Å; N103-K105 VanDerWaalsContact OD1-CB 3.27Å; N103-K105 WeakPolarHBondContact OD1-CB 3.44Å; N103-K105 WeakPolarHBondContact OD1-CG 3.37Å; N103-K105 PolarHBondContact OD1-N 3.12Å; K105-Y126 WeakPolarHBondContact CE-OH 3.2Å
106	F	93.9	Very high	94.8	Very high	14 Å²	14	59.8 Å²	59.8	6%	0.061	31%	0.314	C	S	.	.	S	Bend	trans	-104.7	119.4	179	-62.8	-93.8	0	0	0	109.5	C64 A72 I74 H83 D100 G102 N103 S104 L109	C64-F106 HydrophobicContact CB-CD1 3.69Å; C64-F106 HydrophobicContact CB-CE1 3.73Å; A72-F106 HydrophobicContact CB-CE2 3.69Å; A72-F106 HydrophobicContact CB-CZ 3.61Å; I74-F106 HydrophobicContact CG2-CE1 4.36Å; I74-F106 HydrophobicContact CG2-CZ 3.75Å; H83-F106 AromaticContact CE1-CD1 3.89Å; H83-F106 AromaticContact CE1-CE1 3.48Å; H83-F106 VanDerWaalsContact CE1-CE1 3.48Å; H83-F106 WeakPolarHBondContact CE1-CE1 3.44Å; H83-F106 AromaticContact NE2-CE1 3.94Å; D100-F106 VanDerWaalsContact C-CE2 3.49Å; D100-F106 HydrophobicContact CB-CE2 3.91Å; D100-F106 WeakPolarHBondContact O-CD2 3.32Å; D100-F106 WeakPolarHBondContact O-CE2 3.23Å; G102-F106 VanDerWaalsContact N-CD2 3.34Å; N103-F106 PolarHBondContact O-N 3.27Å; S104-F106 VanDerWaalsContact C-N 3.26Å; F106-L109 HydrophobicContact CB-CB 4.37Å; F106-L109 WeakPolarHBondContact CB-O 3.26Å; F106-L109 HydrophobicContact CD1-CD2 4.13Å; F106-L109 HydrophobicContact CG-CD2 4.48Å
107	K	87.4	Confident	94.8	Very high	147 Å²	147	57.7 Å²	57.7	64%	0.639	30%	0.301	S	S	*	.	S	Bend	trans	-70.6	-41	-170.4	-65.9	179.3	-178.9	175.5	0	114.2	E69	E69-K107 IonicContact OE1-NZ 2.94Å; E69-K107 PolarHBondContact OE1-NZ 3.42Å; E69-K107 WeakPolarHBondContact OE2-CE 3.32Å; E69-K107 IonicContact OE2-NZ 3.03Å; E69-K107 PolarHBondContact OE2-NZ 2.77Å
108	T	85.7	Confident	94.7	Very high	142 Å²	142	59.8 Å²	59.8	87%	0.871	32%	0.318	S	S	*	.	S	Bend	trans	-136.7	-2.6	-172.5	54.7	0	0	0	0	113.5
109	L	93.7	Very high	94.5	Very high	32 Å²	32	64.4 Å²	64.4	17%	0.168	34%	0.34	C	S	.	.			trans	-101.8	123.5	-178.1	-179.7	148.1	0	0	0	109	G102 F106	G102-L109 WeakPolarHBondContact CA-O 3.48Å; F106-L109 HydrophobicContact CB-CB 4.37Å; F106-L109 WeakPolarHBondContact CB-O 3.26Å; F106-L109 HydrophobicContact CD1-CD2 4.13Å; F106-L109 HydrophobicContact CG-CD2 4.48Å
110	E	95.5	Very high	94.4	Very high	157 Å²	157	68.1 Å²	68.1	73%	0.734	36%	0.363	S	S	*	.			trans	-101.6	153.7	171	-64.9	-179.3	173.9	0	0	109.9	K112	E110-K112 PolarHBondContact O-N 3.06Å
111	C	97.4	Very high	94.3	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.014	37%	0.367	C	S	.	.			trans	-81.8	109.1	-179.7	-174.4	0	0	0	0	110.6	C78 C101 L113 L114 K117	C78-C111 VanDerWaalsContact SG-SG 3.66Å; C101-C111 HydrophobicContact CB-CB 4.48Å; C101-C111 WeakPolarHBondContact O-CB 3.4Å; C101-C111 VanDerWaalsContact SG-SG 3.69Å; C111-L113 PolarHBondContact O-N 3.1Å; C111-L113 VanDerWaalsContact O-N 3.17Å; C111-L114 WeakPolarHBondContact CB-O 3.48Å; C111-L114 CarbonylContact O-C 3.52Å; C111-L114 PolarHBondContact O-N 2.74Å; C111-K117 PolarHBondContact SG-NZ 3.42Å
112	K	96.9	Very high	94.1	Very high	151 Å²	151	74.9 Å²	74.9	66%	0.657	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.4	178.4	-58.1	-179.6	-171.6	167.8	0	113.5	E81 C82 E110	E81-K112 WeakPolarHBondContact O-CD 3.47Å; E81-K112 VanDerWaalsContact O-CE 3.28Å; E81-K112 WeakPolarHBondContact O-CE 3.29Å; E81-K112 PolarHBondContact O-NZ 3.34Å; C82-K112 PolarHBondContact SG-N 2.92Å; C82-K112 VanDerWaalsContact SG-N 3.37Å; E110-K112 PolarHBondContact O-N 3.06Å
113	L	96.7	Very high	94	Very high	56 Å²	56	76.1 Å²	76.1	29%	0.293	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-26.7	-174.8	-65.3	179.3	0	0	0	114	E44 C46 A77 E81 C111	E44-L113 WeakPolarHBondContact O-CD1 3.39Å; E44-L113 WeakPolarHBondContact O-CD2 3.46Å; C46-L113 HydrophobicContact CB-CB 3.88Å; C46-L113 HydrophobicContact CB-CD1 4.45Å; A77-L113 HydrophobicContact CB-CD1 3.57Å; A77-L113 WeakPolarHBondContact O-CD1 3.37Å; E81-L113 HydrophobicContact CB-CD1 3.98Å; E81-L113 HydrophobicContact CB-CD2 4.32Å; E81-L113 HydrophobicContact CB-CG 4.07Å; E81-L113 HydrophobicContact CG-CD1 4.15Å; E81-L113 HydrophobicContact CG-CD2 4.13Å; E81-L113 HydrophobicContact CG-CG 4.34Å; C111-L113 PolarHBondContact O-N 3.1Å; C111-L113 VanDerWaalsContact O-N 3.17Å
114	L	95.9	Very high	94.1	Very high	51 Å²	51	76.4 Å²	76.4	27%	0.267	42%	0.424	S	S	.	.			trans	-159.6	89.7	178.1	-168.4	76.4	0	0	0	110.2	C46 Y48 C111 K117	C46-L114 HydrophobicContact CB-CB 4.05Å; Y48-L114 HydrophobicContact CD1-CD2 3.45Å; Y48-L114 VanDerWaalsContact CD1-CD2 3.45Å; Y48-L114 HydrophobicContact CE1-CD2 4.37Å; Y48-L114 HydrophobicContact CG-CD2 4.11Å; C111-L114 WeakPolarHBondContact CB-O 3.48Å; C111-L114 CarbonylContact O-C 3.52Å; C111-L114 PolarHBondContact O-N 2.74Å; L114-K117 WeakPolarHBondContact O-CE 3.47Å
115	P	92	Very high	94.2	Very high	83 Å²	83	78.7 Å²	78.7	54%	0.539	42%	0.424	S	S	.	.			trans	-65.1	-39.4	-178.2	-23.8	34.7	0	0	0	113.4	K117	P115-K117 PolarHBondContact O-N 3.26Å
116	D	92	Very high	94.3	Very high	145 Å²	145	80.8 Å²	80.8	78%	0.775	43%	0.431	S	S	*	.			trans	-77.3	92.2	-172.5	-68.9	-51.7	0	0	0	112.7
117	K	95.4	Very high	94.4	Very high	34 Å²	34	81.7 Å²	81.7	15%	0.148	44%	0.437	C	S	.	.			trans	-126.3	155.6	178.8	-61.7	-172.6	179.5	178.1	0	112.9	C46 Y48 C101 C111 L114 P115	C46-K117 PolarHBondContact SG-NZ 3.46Å; Y48-K117 HydrophobicContact CD1-CD 4.26Å; Y48-K117 HydrophobicContact CD1-CG 3.82Å; Y48-K117 HydrophobicContact CD2-CB 4.41Å; Y48-K117 HydrophobicContact CD2-CD 3.74Å; Y48-K117 HydrophobicContact CD2-CG 3.98Å; Y48-K117 HydrophobicContact CE1-CB 4.1Å; Y48-K117 HydrophobicContact CE1-CG 3.8Å; Y48-K117 HydrophobicContact CE2-CB 3.94Å; Y48-K117 HydrophobicContact CE2-CD 4.11Å; Y48-K117 HydrophobicContact CE2-CG 3.98Å; Y48-K117 HydrophobicContact CG-CD 3.83Å; Y48-K117 HydrophobicContact CG-CG 3.92Å; C101-K117 VanDerWaalsContact O-CD 3.3Å; C101-K117 WeakPolarHBondContact O-CD 3.3Å; C101-K117 WeakPolarHBondContact O-CE 3.35Å; C101-K117 PolarHBondContact O-NZ 2.74Å; C111-K117 PolarHBondContact SG-NZ 3.42Å; L114-K117 WeakPolarHBondContact O-CE 3.47Å; P115-K117 PolarHBondContact O-N 3.26Å
118	A	94.7	Very high	94.8	Very high	46 Å²	46	77.8 Å²	77.8	38%	0.38	42%	0.423	S	S	.	.			trans	-67.1	145.4	166.5	0	0	0	0	0	109.1	Y48 N103 V120	Y48-A118 WeakPolarHBondContact OH-CB 3.14Å; Y48-A118 PolarHBondContact OH-N 3.41Å; N103-A118 WeakPolarHBondContact CB-O 3.41Å; A118-V120 VanDerWaalsContact C-N 3.26Å; A118-V120 PolarHBondContact O-N 3.12Å
119	K	94.1	Very high	95.3	Very high	163 Å²	163	71 Å²	71	71%	0.709	38%	0.381	S	S	*	.	S	Bend	trans	-55.3	-41.1	-176.6	-65.2	-173.2	177.7	-173.9	0	112.8	N103 S104	N103-K119 VanDerWaalsContact CB-O 3.32Å; N103-K119 WeakPolarHBondContact CB-O 3.33Å; N103-K119 VanDerWaalsContact CG-O 3.3Å; S104-K119 PolarHBondContact N-O 3.19Å; S104-K119 PolarHBondContact OG-O 2.78Å
120	V	94.3	Very high	95.5	Very high	78 Å²	78	69.6 Å²	69.6	47%	0.473	37%	0.374	S	S	.	.			trans	-139.2	146.6	-179.6	-66	0	0	0	0	111.2	A118	A118-V120 VanDerWaalsContact C-N 3.26Å; A118-V120 PolarHBondContact O-N 3.12Å
121	N	96.1	Very high	95.6	Very high	14 Å²	14	64.6 Å²	64.6	8%	0.075	35%	0.35	C	S	.	.			trans	-100.5	91	174.4	-68.7	-54.2	0	0	0	109.7	Y48 R98 D100 N103 G123 N124	Y48-N121 WeakPolarHBondContact CE2-OD1 3.4Å; R98-N121 WeakPolarHBondContact CD-OD1 3.34Å; R98-N121 PolarHBondContact O-ND2 2.99Å; D100-N121 PolarHBondContact OD1-ND2 2.87Å; N103-N121 PolarHBondContact ND2-ND2 3.18Å; N121-G123 PolarHBondContact O-N 2.9Å; N121-N124 HydrophobicContact CB-CB 4.31Å; N121-N124 VanDerWaalsContact CB-ND2 3.34Å; N121-N124 WeakPolarHBondContact CB-ND2 3.32Å; N121-N124 WeakPolarHBondContact O-CB 3.49Å; N121-N124 PolarHBondContact O-N 3.04Å; N121-N124 VanDerWaalsContact O-N 3.13Å
122	S	94	Very high	95.5	Very high	127 Å²	127	64.7 Å²	64.7	89%	0.888	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.6	-173.6	55.4	0	0	0	0	115.5
123	G	94.4	Very high	95.4	Very high	47 Å²	47	60 Å²	60	49%	0.485	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.1	174.3	0	0	0	0	0	114.6	N121	N121-G123 PolarHBondContact O-N 2.9Å
124	N	97.1	Very high	95.4	Very high	14 Å²	14	58 Å²	58	8%	0.075	32%	0.321	C	S	.	.			trans	-69.7	138.9	179.6	-73.9	1.1	0	0	0	110.6	F97 R98 D100 N121 Y126	F97-N124 HydrophobicContact CD2-CB 3.98Å; F97-N124 VanDerWaalsContact CE1-ND2 3.27Å; F97-N124 WeakPolarHBondContact CE1-ND2 3.33Å; F97-N124 HydrophobicContact CE2-CB 3.66Å; F97-N124 HydrophobicContact CZ-CB 4.04Å; F97-N124 WeakPolarHBondContact CZ-ND2 3.47Å; R98-N124 PolarHBondContact N-OD1 2.66Å; R98-N124 PolarHBondContact O-ND2 2.86Å; D100-N124 PolarHBondContact OD1-ND2 2.71Å; D100-N124 PolarHBondContact OD2-ND2 3.05Å; N121-N124 HydrophobicContact CB-CB 4.31Å; N121-N124 VanDerWaalsContact CB-ND2 3.34Å; N121-N124 WeakPolarHBondContact CB-ND2 3.32Å; N121-N124 WeakPolarHBondContact O-CB 3.49Å; N121-N124 PolarHBondContact O-N 3.04Å; N121-N124 VanDerWaalsContact O-N 3.13Å; N124-Y126 HydrophobicContact CB-CE1 4.3Å; N124-Y126 HydrophobicContact CB-CE2 3.6Å; N124-Y126 VanDerWaalsContact CB-CZ 3.46Å; N124-Y126 WeakPolarHBondContact CB-OH 3.33Å; N124-Y126 PolarHBondContact ND2-OH 3.18Å; N124-Y126 VanDerWaalsContact ND2-OH 3.16Å
125	K	96.1	Very high	95.4	Very high	124 Å²	124	55.6 Å²	55.6	54%	0.539	31%	0.309	S	S	.	.			trans	-109.5	138	173.5	-60.8	179	-169.7	175.2	0	108.8	D327	K125-D327 VanDerWaalsContact NZ-CG 3.25Å; K125-D327 IonicContact NZ-OD1 2.67Å; K125-D327 PolarHBondContact NZ-OD1 2.82Å; K125-D327 VanDerWaalsContact NZ-OD1 3.17Å; K125-D327 IonicContact NZ-OD2 3.02Å; K125-D327 PolarHBondContact NZ-OD2 3.39Å
126	Y	96.5	Very high	95.6	Very high	69 Å²	69	56.8 Å²	56.8	27%	0.271	31%	0.309	S	S	.	.			trans	-127.3	143.7	-177.3	-50.8	-91.9	0	0	0	109.4	P71 F97 D100 K105 N124 F130	P71-Y126 HydrophobicContact CB-CD1 3.83Å; P71-Y126 HydrophobicContact CB-CG 4.1Å; P71-Y126 HydrophobicContact CG-CD1 3.93Å; P71-Y126 HydrophobicContact CG-CD2 4.36Å; P71-Y126 HydrophobicContact CG-CG 3.72Å; P71-Y126 WeakPolarHBondContact O-CE1 3.49Å; F97-Y126 HydrophobicContact CE2-CD1 4.25Å; F97-Y126 AromaticContact CE2-CE1 3.86Å; F97-Y126 HydrophobicContact CE2-CE1 3.86Å; F97-Y126 HydrophobicContact CZ-CD1 4.44Å; F97-Y126 AromaticContact CZ-CE1 3.72Å; F97-Y126 HydrophobicContact CZ-CE1 3.72Å; D100-Y126 PolarHBondContact OD1-OH 2.86Å; D100-Y126 PolarHBondContact OD2-OH 3.07Å; K105-Y126 WeakPolarHBondContact CE-OH 3.2Å; N124-Y126 HydrophobicContact CB-CE1 4.3Å; N124-Y126 HydrophobicContact CB-CE2 3.6Å; N124-Y126 VanDerWaalsContact CB-CZ 3.46Å; N124-Y126 WeakPolarHBondContact CB-OH 3.33Å; N124-Y126 PolarHBondContact ND2-OH 3.18Å; N124-Y126 VanDerWaalsContact ND2-OH 3.16Å; Y126-F130 AromaticContact CD1-CD1 3.79Å; Y126-F130 HydrophobicContact CD1-CD1 3.79Å; Y126-F130 HydrophobicContact CD1-CD2 4.39Å; Y126-F130 AromaticContact CD1-CE1 3.68Å; Y126-F130 HydrophobicContact CD1-CE1 3.68Å; Y126-F130 HydrophobicContact CD1-CE2 4.3Å; Y126-F130 HydrophobicContact CD1-CG 4.14Å; Y126-F130 AromaticContact CD1-CZ 3.94Å; Y126-F130 HydrophobicContact CD1-CZ 3.94Å; Y126-F130 HydrophobicContact CE1-CD1 4.43Å; Y126-F130 HydrophobicContact CE1-CE1 4.14Å
127	N	95.9	Very high	95.7	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.182	29%	0.286	C	S	.	.			trans	-135.1	-178.5	173.6	65.6	-8.3	0	0	0	109.2	N129 F130 D160	N127-N129 PolarHBondContact ND2-OD1 3.38Å; N127-N129 PolarHBondContact O-N 3.46Å; N127-N129 VanDerWaalsContact O-N 3.11Å; N127-N129 WeakPolarHBondContact OD1-CB 3.37Å; N127-N129 PolarHBondContact OD1-OD1 3.03Å; N127-N129 VanDerWaalsContact OD1-OD1 3.12Å; N127-F130 WeakPolarHBondContact O-CD2 3.28Å; N127-F130 PolarHBondContact O-N 2.9Å; N127-F130 VanDerWaalsContact O-N 3.13Å; N127-F130 WeakPolarHBondContact OD1-CD2 3.26Å; N127-D160 WeakPolarHBondContact ND2-CA 3.35Å
128	D	96.3	Very high	95.7	Very high	64 Å²	64	54.4 Å²	54.4	34%	0.342	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-66.8	-17.5	-171.8	-51.6	-48.2	0	0	0	113.4	F130 F131 G132 L133 K138	D128-F130 PolarHBondContact O-N 3.09Å; D128-F130 VanDerWaalsContact O-N 3.09Å; D128-F131 PolarHBondContact O-N 2.87Å; D128-G132 PolarHBondContact O-N 3.31Å; D128-L133 CarbonylContact C-O 3.4Å; D128-L133 HydrophobicContact CB-CB 4.09Å; D128-L133 PolarHBondContact O-N 2.97Å; D128-K138 HydrophobicContact CB-CD 4.34Å; D128-K138 WeakPolarHBondContact OD2-CE 3.38Å; D128-K138 IonicContact OD2-NZ 2.98Å; D128-K138 PolarHBondContact OD2-NZ 3.05Å
129	N	96.8	Very high	95.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-52.9	-32.2	172.3	-50.5	33.8	0	0	0	112.1	L91 K94 N127 F131 G132 L133 Y134 E159 D160 W161	L91-N129 HydrophobicContact CD2-CB 3.96Å; L91-N129 VanDerWaalsContact CD2-O 3.28Å; L91-N129 WeakPolarHBondContact CD2-O 3.4Å; K94-N129 PolarHBondContact NZ-ND2 3.2Å; N127-N129 PolarHBondContact ND2-OD1 3.38Å; N127-N129 PolarHBondContact O-N 3.46Å; N127-N129 VanDerWaalsContact O-N 3.11Å; N127-N129 WeakPolarHBondContact OD1-CB 3.37Å; N127-N129 PolarHBondContact OD1-OD1 3.03Å; N127-N129 VanDerWaalsContact OD1-OD1 3.12Å; N129-F131 PolarHBondContact O-N 3.19Å; N129-G132 WeakPolarHBondContact O-CA 3.34Å; N129-G132 PolarHBondContact O-N 3.26Å; N129-L133 WeakPolarHBondContact CA-O 3.31Å; N129-L133 PolarHBondContact N-O 3.17Å; N129-L133 VanDerWaalsContact N-O 3.07Å; N129-Y134 HydrophobicContact CB-CD1 4.08Å; N129-Y134 HydrophobicContact CB-CE1 3.74Å; N129-E159 PolarHBondContact ND2-O 2.71Å; N129-D160 PolarHBondContact OD1-OD1 3.12Å; N129-W161 VanDerWaalsContact ND2-CD1 3.3Å
130	F	97.4	Very high	95.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-69	-12.6	179.7	-71.1	-102.8	0	0	0	113	A60 P71 L91 F97 Y126 N127 D128	A60-F130 HydrophobicContact CB-CB 4.26Å; A60-F130 HydrophobicContact CB-CD1 4.26Å; A60-F130 VanDerWaalsContact CB-O 3.24Å; A60-F130 WeakPolarHBondContact CB-O 3.28Å; P71-F130 HydrophobicContact CB-CB 3.76Å; P71-F130 HydrophobicContact CB-CG 4.32Å; L91-F130 HydrophobicContact CD1-CD1 3.57Å; L91-F130 HydrophobicContact CD1-CD2 4.12Å; L91-F130 HydrophobicContact CD1-CE1 3.47Å; L91-F130 VanDerWaalsContact CD1-CE1 3.47Å; L91-F130 HydrophobicContact CD1-CE2 4.04Å; L91-F130 HydrophobicContact CD1-CG 3.93Å; L91-F130 HydrophobicContact CD1-CZ 3.72Å; F97-F130 HydrophobicContact CD2-CZ 4.45Å; F97-F130 AromaticContact CE2-CE1 3.87Å; F97-F130 HydrophobicContact CE2-CE1 3.87Å; F97-F130 AromaticContact CE2-CZ 3.7Å; F97-F130 HydrophobicContact CE2-CZ 3.7Å; F97-F130 AromaticContact CZ-CE1 3.92Å; F97-F130 HydrophobicContact CZ-CE1 3.92Å; F97-F130 HydrophobicContact CZ-CZ 4.24Å; Y126-F130 AromaticContact CD1-CD1 3.79Å; Y126-F130 HydrophobicContact CD1-CD1 3.79Å; Y126-F130 HydrophobicContact CD1-CD2 4.39Å; Y126-F130 AromaticContact CD1-CE1 3.68Å; Y126-F130 HydrophobicContact CD1-CE1 3.68Å; Y126-F130 HydrophobicContact CD1-CE2 4.3Å; Y126-F130 HydrophobicContact CD1-CG 4.14Å; Y126-F130 AromaticContact CD1-CZ 3.94Å; Y126-F130 HydrophobicContact CD1-CZ 3.94Å; Y126-F130 HydrophobicContact CE1-CD1 4.43Å; Y126-F130 HydrophobicContact CE1-CE1 4.14Å; N127-F130 WeakPolarHBondContact O-CD2 3.28Å; N127-F130 PolarHBondContact O-N 2.9Å; N127-F130 VanDerWaalsContact O-N 3.13Å; N127-F130 WeakPolarHBondContact OD1-CD2 3.26Å; D128-F130 PolarHBondContact O-N 3.09Å; D128-F130 VanDerWaalsContact O-N 3.09Å
131	F	96.9	Very high	95.3	Very high	53 Å²	53	52.4 Å²	52.4	23%	0.232	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-105.6	7.7	169	-59	-70.3	0	0	0	112.5	E69 P71 F89 D128 N129 L133	E69-F131 WeakPolarHBondContact O-CZ 3.4Å; P71-F131 HydrophobicContact CB-CE2 4Å; P71-F131 HydrophobicContact CB-CZ 3.82Å; P71-F131 HydrophobicContact CG-CE2 4.3Å; P71-F131 HydrophobicContact CG-CZ 4.17Å; F89-F131 VanDerWaalsContact CE2-C 3.4Å; F89-F131 WeakPolarHBondContact CE2-O 3.24Å; D128-F131 PolarHBondContact O-N 2.87Å; N129-F131 PolarHBondContact O-N 3.19Å; F131-L133 VanDerWaalsContact C-N 3.32Å
132	G	95.3	Very high	94.9	Very high	3 Å²	3	57 Å²	57	3%	0.031	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	22	-176.7	0	0	0	0	0	113.6	D128 N129 Y134 P140	D128-G132 PolarHBondContact O-N 3.31Å; N129-G132 WeakPolarHBondContact O-CA 3.34Å; N129-G132 PolarHBondContact O-N 3.26Å; G132-Y134 WeakPolarHBondContact O-CE2 3.3Å; G132-P140 WeakPolarHBondContact O-CA 3.32Å
133	L	96.3	Very high	94.6	Very high	52 Å²	52	52 Å²	52	27%	0.272	27%	0.268	S	S	.	.			trans	-109.4	132.2	177	-59.1	179.1	0	0	0	110	D128 N129 F131	D128-L133 CarbonylContact C-O 3.4Å; D128-L133 HydrophobicContact CB-CB 4.09Å; D128-L133 PolarHBondContact O-N 2.97Å; N129-L133 WeakPolarHBondContact CA-O 3.31Å; N129-L133 PolarHBondContact N-O 3.17Å; N129-L133 VanDerWaalsContact N-O 3.07Å; F131-L133 VanDerWaalsContact C-N 3.32Å
134	Y	95.9	Very high	94.4	Very high	15 Å²	15	55.5 Å²	55.5	6%	0.059	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-127.3	163.4	-171.5	-53.2	-80.2	0	0	0	112.3	N129 G132 K138 R139 M152 W161	N129-Y134 HydrophobicContact CB-CD1 4.08Å; N129-Y134 HydrophobicContact CB-CE1 3.74Å; G132-Y134 WeakPolarHBondContact O-CE2 3.3Å; Y134-K138 WeakPolarHBondContact O-CA 3.32Å; Y134-K138 PolarHBondContact O-N 3.1Å; Y134-K138 VanDerWaalsContact O-N 3.13Å; Y134-R139 PolarHBondContact N-O 3.25Å; Y134-R139 PolarHBondContact O-N 2.82Å; Y134-M152 HydrophobicContact CG-CE 4.48Å; Y134-M152 HydrophobicContact CG-SD 4.3Å; Y134-W161 HydrophobicContact CD1-CB 4.07Å; Y134-W161 HydrophobicContact CD1-CG 4.47Å
135	C	96.1	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-177	172.9	-167	0	0	0	0	113.3	C137 K138 M152 D160 W161 F162 H166	C135-C137 PolarHBondContact O-N 2.99Å; C135-K138 WeakPolarHBondContact O-CD 3.46Å; C135-K138 VanDerWaalsContact O-CE 3.25Å; C135-K138 WeakPolarHBondContact O-CE 2.8Å; C135-K138 PolarHBondContact O-NZ 3.39Å; C135-M152 HydrophobicContact CB-CE 4.01Å; C135-D160 PolarHBondContact N-OD1 3.03Å; C135-W161 WeakPolarHBondContact CA-O 3.27Å; C135-W161 WeakPolarHBondContact CB-O 3.41Å; C135-W161 PolarHBondContact N-O 3.34Å; C135-F162 HydrophobicContact CB-CD1 4.48Å; C135-H166 VanDerWaalsContact SG-CB 3.53Å; C135-H166 PolarHBondContact SG-ND1 3.44Å
136	I	95.6	Very high	93.6	Very high	108 Å²	108	58.4 Å²	58.4	55%	0.554	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.7	172.1	61.9	175.4	0	0	0	112.7	F162 H166	I136-F162 HydrophobicContact CG2-CD1 4.37Å; I136-F162 HydrophobicContact CG2-CE1 3.91Å; I136-H166 HydrophobicContact CD1-CB 4.07Å; I136-H166 HydrophobicContact CG1-CB 4.01Å
137	C	95	Very high	93.1	Very high	43 Å²	43	64.1 Å²	64.1	29%	0.291	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.5	179.3	57.5	0	0	0	0	113.8	C135 R139 H163	C135-C137 PolarHBondContact O-N 2.99Å; C137-R139 VanDerWaalsContact C-N 3.29Å; C137-R139 HydrophobicContact CB-CG 4.08Å; C137-R139 PolarHBondContact O-N 2.86Å; C137-H163 PolarHBondContact SG-ND1 3.42Å
138	K	95.6	Very high	92.6	Very high	86 Å²	86	67.5 Å²	67.5	37%	0.374	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	46.1	-179.1	-53.1	-59.8	165.5	-162.5	0	112.6	D128 Y134 C135 D160	D128-K138 HydrophobicContact CB-CD 4.34Å; D128-K138 WeakPolarHBondContact OD2-CE 3.38Å; D128-K138 IonicContact OD2-NZ 2.98Å; D128-K138 PolarHBondContact OD2-NZ 3.05Å; Y134-K138 WeakPolarHBondContact O-CA 3.32Å; Y134-K138 PolarHBondContact O-N 3.1Å; Y134-K138 VanDerWaalsContact O-N 3.13Å; C135-K138 WeakPolarHBondContact O-CD 3.46Å; C135-K138 VanDerWaalsContact O-CE 3.25Å; C135-K138 WeakPolarHBondContact O-CE 2.8Å; C135-K138 PolarHBondContact O-NZ 3.39Å; K138-D160 IonicContact NZ-OD2 3.7Å
139	R	94	Very high	91.9	Very high	81 Å²	81	70.4 Å²	70.4	31%	0.306	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-109.2	153	178.2	-66.9	-166.2	67.1	107.3	23.1	110.2	Y134 C137 D143 E145	Y134-R139 PolarHBondContact N-O 3.25Å; Y134-R139 PolarHBondContact O-N 2.82Å; C137-R139 VanDerWaalsContact C-N 3.29Å; C137-R139 HydrophobicContact CB-CG 4.08Å; C137-R139 PolarHBondContact O-N 2.86Å; R139-D143 WeakPolarHBondContact CB-OD2 3.3Å; R139-D143 IonicContact CZ-OD2 3.43Å; R139-D143 IonicContact NE-OD2 3.85Å; R139-D143 PolarHBondContact NE-OD2 3.38Å; R139-D143 IonicContact NH2-OD1 3.82Å; R139-D143 PolarHBondContact NH2-OD1 2.69Å; R139-D143 VanDerWaalsContact NH2-OD1 3.15Å; R139-D143 IonicContact NH2-OD2 2.91Å; R139-D143 PolarHBondContact NH2-OD2 3Å; R139-E145 IonicContact CZ-OE2 3.67Å; R139-E145 IonicContact NH1-OE2 2.82Å; R139-E145 IonicContact NH2-OE2 3.98Å; R139-E145 PolarHBondContact NH2-OE2 2.84Å
140	P	92.9	Very high	91.1	Very high	51 Å²	51	71.9 Å²	71.9	33%	0.331	38%	0.376	S	S	.	.			trans	-67.4	170.2	175.5	29.9	-36.1	0	0	0	112.3	G132 D143	G132-P140 WeakPolarHBondContact O-CA 3.32Å; P140-D143 WeakPolarHBondContact CD-OD2 3.45Å; P140-D143 HydrophobicContact CG-CB 4.32Å
141	Y	87.7	Confident	90.5	Very high	114 Å²	114	79 Å²	79	45%	0.447	41%	0.408	S	S	.	.	S	Bend	trans	-142.3	131.2	169.5	-172.3	-92.4	0	0	0	110.3	M152	Y141-M152 HydrophobicContact CD1-SD 4.3Å; Y141-M152 HydrophobicContact CD2-CG 3.7Å; Y141-M152 HydrophobicContact CD2-SD 3.52Å; Y141-M152 VanDerWaalsContact CD2-SD 3.52Å; Y141-M152 HydrophobicContact CE2-CG 3.71Å; Y141-M152 HydrophobicContact CE2-SD 4.17Å; Y141-M152 HydrophobicContact CG-CG 4.18Å; Y141-M152 HydrophobicContact CG-SD 3.59Å; Y141-M152 VanDerWaalsContact CG-SD 3.59Å
142	P	87.3	Confident	90.3	Very high	110 Å²	110	77.6 Å²	77.6	71%	0.714	40%	0.403	S	S	*	.	S	Bend	cis	-61.8	145.9	-13	29.1	-35.5	0	0	0	111
143	D	88.7	Confident	90.3	Very high	21 Å²	21	78.7 Å²	78.7	11%	0.112	41%	0.408	C	S	.	.			trans	-94.7	118.6	178.9	-165.8	-36.9	0	0	0	110.7	R139 P140 E145 D146	R139-D143 WeakPolarHBondContact CB-OD2 3.3Å; R139-D143 IonicContact CZ-OD2 3.43Å; R139-D143 IonicContact NE-OD2 3.85Å; R139-D143 PolarHBondContact NE-OD2 3.38Å; R139-D143 IonicContact NH2-OD1 3.82Å; R139-D143 PolarHBondContact NH2-OD1 2.69Å; R139-D143 VanDerWaalsContact NH2-OD1 3.15Å; R139-D143 IonicContact NH2-OD2 2.91Å; R139-D143 PolarHBondContact NH2-OD2 3Å; P140-D143 WeakPolarHBondContact CD-OD2 3.45Å; P140-D143 HydrophobicContact CG-CB 4.32Å; D143-E145 PolarHBondContact O-N 2.69Å; D143-E145 WeakPolarHBondContact OD1-CB 3.43Å; D143-E145 PolarHBondContact OD1-N 3.34Å; D143-D146 HydrophobicContact CB-CB 3.79Å; D143-D146 PolarHBondContact O-N 2.74Å
144	P	88.7	Confident	90.2	Very high	122 Å²	122	77 Å²	77	79%	0.792	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.3	-180	31.3	-37	0	0	0	114.3
145	E	90.3	Very high	90.3	Very high	150 Å²	150	76.3 Å²	76.3	70%	0.701	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-6.3	176.4	-55	178.2	169.3	0	0	113.1	R139 D143	R139-E145 IonicContact CZ-OE2 3.67Å; R139-E145 IonicContact NH1-OE2 2.82Å; R139-E145 IonicContact NH2-OE2 3.98Å; R139-E145 PolarHBondContact NH2-OE2 2.84Å; D143-E145 PolarHBondContact O-N 2.69Å; D143-E145 WeakPolarHBondContact OD1-CB 3.43Å; D143-E145 PolarHBondContact OD1-N 3.34Å
146	D	87.1	Confident	90.4	Very high	48 Å²	48	76.6 Å²	76.6	26%	0.257	40%	0.398	S	S	.	.			trans	-100.7	102.8	179.5	-157.6	-34.5	0	0	0	110.3	D143 I148 R165	D143-D146 HydrophobicContact CB-CB 3.79Å; D143-D146 PolarHBondContact O-N 2.74Å; D146-I148 PolarHBondContact O-N 2.98Å; D146-I148 PolarHBondContact OD1-N 2.93Å; D146-I148 VanDerWaalsContact OD1-N 3.1Å; D146-R165 IonicContact OD1-CZ 3.42Å; D146-R165 IonicContact OD1-NH2 2.92Å; D146-R165 PolarHBondContact OD1-NH2 3.36Å; D146-R165 IonicContact OD2-CZ 2.86Å; D146-R165 IonicContact OD2-NH2 2.58Å; D146-R165 PolarHBondContact OD2-NH2 3.35Å
147	E	86.2	Confident	90.5	Very high	189 Å²	189	72 Å²	72	88%	0.883	38%	0.375	S	S	*	.			trans	-71.7	-6.6	-180	-61.2	-178.8	172	0	0	113.3	P149	E147-P149 VanDerWaalsContact O-CD 3.22Å; E147-P149 WeakPolarHBondContact O-CD 3.43Å
148	I	85.7	Confident	90.6	Very high	105 Å²	105	72.3 Å²	72.3	54%	0.538	38%	0.377	S	S	.	.	S	Bend	trans	-100.9	99.7	-175.8	-50	176.3	0	0	0	110.1	D146 D150 R165	D146-I148 PolarHBondContact O-N 2.98Å; D146-I148 PolarHBondContact OD1-N 2.93Å; D146-I148 VanDerWaalsContact OD1-N 3.1Å; I148-D150 PolarHBondContact O-N 2.89Å; I148-R165 VanDerWaalsContact CG2-NH1 3.32Å; I148-R165 PolarHBondContact O-NH1 3.2Å; I148-R165 PolarHBondContact O-NH2 2.98Å
149	P	80.3	Confident	90.7	Very high	125 Å²	125	69.4 Å²	69.4	81%	0.812	37%	0.365	S	S	*	.			trans	-60.4	137.9	174.8	27.5	-35.1	0	0	0	110.4	E147	E147-P149 VanDerWaalsContact O-CD 3.22Å; E147-P149 WeakPolarHBondContact O-CD 3.43Å
150	D	81.4	Confident	90.9	Very high	32 Å²	32	66.3 Å²	66.3	17%	0.171	35%	0.354	C	S	.	.			trans	-156.5	127.4	-174.9	-166.1	-24.6	0	0	0	109.3	I148 M152 G164 R165	I148-D150 PolarHBondContact O-N 2.89Å; D150-M152 PolarHBondContact O-N 3.41Å; D150-G164 PolarHBondContact OD1-N 2.98Å; D150-G164 PolarHBondContact OD2-N 2.99Å; D150-R165 WeakPolarHBondContact OD2-CG 3.49Å; D150-R165 IonicContact OD2-CZ 3.57Å; D150-R165 PolarHBondContact OD2-N 3.32Å; D150-R165 IonicContact OD2-NE 3.44Å; D150-R165 IonicContact OD2-NH1 3.95Å; D150-R165 PolarHBondContact OD2-NH1 3.15Å
151	E	84.6	Confident	91.1	Very high	150 Å²	150	65.9 Å²	65.9	70%	0.701	35%	0.346	S	S	*	.			trans	-75.6	116.8	177.6	-68.5	176.3	-174	0	0	109.2
152	M	92.1	Very high	91.5	Very high	24 Å²	24	61 Å²	61	12%	0.118	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	136	178.4	-56.1	-155.3	81.7	0	0	111	Y134 C135 Y141 D150 W161 F162	Y134-M152 HydrophobicContact CG-CE 4.48Å; Y134-M152 HydrophobicContact CG-SD 4.3Å; C135-M152 HydrophobicContact CB-CE 4.01Å; Y141-M152 HydrophobicContact CD1-SD 4.3Å; Y141-M152 HydrophobicContact CD2-CG 3.7Å; Y141-M152 HydrophobicContact CD2-SD 3.52Å; Y141-M152 VanDerWaalsContact CD2-SD 3.52Å; Y141-M152 HydrophobicContact CE2-CG 3.71Å; Y141-M152 HydrophobicContact CE2-SD 4.17Å; Y141-M152 HydrophobicContact CG-CG 4.18Å; Y141-M152 HydrophobicContact CG-SD 3.59Å; Y141-M152 VanDerWaalsContact CG-SD 3.59Å; D150-M152 PolarHBondContact O-N 3.41Å; M152-W161 HydrophobicContact CB-CB 4.22Å; M152-W161 HydrophobicContact CB-CE3 3.9Å; M152-W161 HydrophobicContact CE-CB 4.05Å; M152-W161 WeakPolarHBondContact O-CZ3 3.35Å; M152-W161 HydrophobicContact SD-CB 4.16Å; M152-F162 CarbonylContact C-O 3.53Å; M152-F162 WeakPolarHBondContact CA-O 3.49Å
153	I	94.2	Very high	91.8	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.138	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.5	178.4	-51.4	174.8	0	0	0	109.4	F162 L167 P171 F177 M180 Y304	I153-F162 PolarHBondContact N-O 2.91Å; I153-F162 PolarHBondContact O-N 3.43Å; I153-L167 HydrophobicContact CB-CD1 4.44Å; I153-L167 HydrophobicContact CD1-CD1 4.13Å; I153-P171 HydrophobicContact CD1-CB 3.94Å; I153-P171 HydrophobicContact CD1-CG 3.91Å; I153-F177 HydrophobicContact CD1-CZ 4Å; I153-F177 HydrophobicContact CG2-CE2 4.07Å; I153-F177 HydrophobicContact CG2-CZ 4.33Å; I153-M180 HydrophobicContact CB-CE 3.94Å; I153-M180 HydrophobicContact CG2-CB 3.63Å; I153-M180 HydrophobicContact CG2-CE 3.75Å; I153-M180 HydrophobicContact CG2-CG 4.05Å; I153-M180 VanDerWaalsContact O-CE 3.22Å; I153-M180 WeakPolarHBondContact O-CE 3.23Å; I153-Y304 HydrophobicContact CD1-CE1 4.04Å
154	Q	96	Very high	92	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.075	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.8	177.5	-165.6	-177	95	0	0	111.2	W161	Q154-W161 HydrophobicContact CB-CD2 3.81Å; Q154-W161 HydrophobicContact CB-CE3 3.71Å; Q154-W161 HydrophobicContact CB-CH2 3.89Å; Q154-W161 HydrophobicContact CB-CZ2 3.96Å; Q154-W161 HydrophobicContact CB-CZ3 3.76Å; Q154-W161 HydrophobicContact CG-CD2 4.23Å; Q154-W161 HydrophobicContact CG-CZ2 4.37Å; Q154-W161 VanDerWaalsContact N-CE3 3.25Å
155	C	97.9	Very high	92.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-78.4	120.6	170.1	174.6	0	0	0	0	110.9	V157 C158 E159 D160 F162 M180 C182	C155-V157 PolarHBondContact O-N 3.42Å; C155-C158 PolarHBondContact O-N 2.94Å; C155-E159 VanDerWaalsContact O-CA 3.3Å; C155-E159 WeakPolarHBondContact O-CA 3.47Å; C155-E159 PolarHBondContact O-N 3.02Å; C155-D160 PolarHBondContact N-O 2.87Å; C155-F162 HydrophobicContact CB-CD2 4.08Å; C155-F162 HydrophobicContact CB-CE2 3.63Å; C155-M180 CarbonylContact C-O 3.57Å; C155-M180 WeakPolarHBondContact CA-O 3.45Å; C155-M180 HydrophobicContact CB-CE 4.08Å; C155-M180 HydrophobicContact CB-SD 4.34Å; C155-C182 HydrophobicContact CB-CB 4.01Å; C155-C182 PolarHBondContact SG-N 3.01Å
156	V	97.4	Very high	92.3	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.036	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	2.1	-176.1	-51.3	0	0	0	0	114.8	R95 E179 M180 V181 F330	R95-V156 VanDerWaalsContact CZ-O 3.3Å; R95-V156 PolarHBondContact NH1-O 3.2Å; R95-V156 PolarHBondContact NH2-O 3.46Å; V156-E179 HydrophobicContact CB-CB 4.49Å; V156-E179 HydrophobicContact CG1-CB 3.67Å; V156-E179 HydrophobicContact CG1-CG 3.82Å; V156-E179 HydrophobicContact CG2-CB 4.12Å; V156-M180 PolarHBondContact N-O 3.49Å; V156-V181 HydrophobicContact CG2-CG2 3.83Å; V156-F330 WeakPolarHBondContact O-CE2 3.36Å
157	V	97.9	Very high	92.6	Very high	12 Å²	12	47.3 Å²	47.3	7%	0.073	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-40.3	176.7	174.3	0	0	0	0	113	C155 V181 C185 V328 L331	C155-V157 PolarHBondContact O-N 3.42Å; V157-V181 HydrophobicContact CB-CG1 4.43Å; V157-V181 HydrophobicContact CG2-CG1 3.86Å; V157-V181 HydrophobicContact CG2-CG2 4.07Å; V157-C185 HydrophobicContact CB-CB 3.77Å; V157-C185 HydrophobicContact CG1-CB 3.83Å; V157-C185 VanDerWaalsContact CG1-SG 3.6Å; V157-C185 HydrophobicContact CG2-CB 4.39Å; V157-V328 HydrophobicContact CG1-CG1 4.15Å; V157-L331 HydrophobicContact CG2-CD2 4.32Å
158	C	97.6	Very high	92.8	Very high	50 Å²	50	41 Å²	41	34%	0.338	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-5.6	179.5	62.3	0	0	0	0	114.4	C155 D160 C185	C155-C158 PolarHBondContact O-N 2.94Å; C158-D160 PolarHBondContact O-N 2.91Å; C158-C185 VanDerWaalsContact SG-SG 3.69Å
159	E	97.3	Very high	92.8	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	21%	0.21	C	C	.	.			trans	56.4	15.6	-176.9	-51.3	-173.3	144.9	0	0	114.6	K94 R95 N129 C155	K94-E159 HydrophobicContact CD-CB 3.8Å; K94-E159 HydrophobicContact CD-CG 4.45Å; K94-E159 VanDerWaalsContact CD-OE2 3.28Å; K94-E159 WeakPolarHBondContact CD-OE2 3.29Å; K94-E159 PolarHBondContact NZ-O 3.13Å; R95-E159 WeakPolarHBondContact CB-OE1 3.36Å; R95-E159 VanDerWaalsContact CG-OE1 3.26Å; R95-E159 WeakPolarHBondContact CG-OE1 3.35Å; R95-E159 IonicContact CZ-OE1 3.66Å; R95-E159 PolarHBondContact N-OE1 3Å; R95-E159 PolarHBondContact N-OE2 2.82Å; R95-E159 IonicContact NE-OE1 2.84Å; R95-E159 PolarHBondContact NE-OE1 3.11Å; R95-E159 VanDerWaalsContact NH2-CG 3.33Å; R95-E159 IonicContact NH2-OE1 3.18Å; R95-E159 PolarHBondContact NH2-OE1 3.07Å; N129-E159 PolarHBondContact ND2-O 2.71Å; C155-E159 VanDerWaalsContact O-CA 3.3Å; C155-E159 WeakPolarHBondContact O-CA 3.47Å; C155-E159 PolarHBondContact O-N 3.02Å
160	D	97.7	Very high	93.1	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.091	21%	0.207	C	C	.	.			trans	-80.8	148.9	170	-167.4	-4.8	0	0	0	109.4	N127 N129 C135 K138 C155 C158 F162	N127-D160 WeakPolarHBondContact ND2-CA 3.35Å; N129-D160 PolarHBondContact OD1-OD1 3.12Å; C135-D160 PolarHBondContact N-OD1 3.03Å; K138-D160 IonicContact NZ-OD2 3.7Å; C155-D160 PolarHBondContact N-O 2.87Å; C158-D160 PolarHBondContact O-N 2.91Å; D160-F162 HydrophobicContact CB-CE2 3.7Å; D160-F162 HydrophobicContact CB-CZ 3.93Å; D160-F162 WeakPolarHBondContact O-CD2 3.43Å; D160-F162 WeakPolarHBondContact O-CE2 3.38Å
161	W	96.7	Very high	93.5	Very high	42 Å²	42	38.4 Å²	38.4	16%	0.159	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.6	-179.1	-73	105.4	0	0	0	109.7	Y92 N129 Y134 C135 M152 Q154	Y92-W161 HydrophobicContact CD1-CZ2 4.36Å; Y92-W161 AromaticContact CD2-CE2 3.89Å; Y92-W161 HydrophobicContact CD2-CH2 4.26Å; Y92-W161 AromaticContact CD2-CZ2 3.41Å; Y92-W161 HydrophobicContact CD2-CZ2 3.41Å; Y92-W161 VanDerWaalsContact CD2-CZ2 3.41Å; Y92-W161 AromaticContact CD2-NE1 3.96Å; Y92-W161 HydrophobicContact CE2-CH2 4.49Å; Y92-W161 AromaticContact CE2-CZ2 3.96Å; Y92-W161 HydrophobicContact CE2-CZ2 3.96Å; Y92-W161 HydrophobicContact CG-CH2 4.37Å; Y92-W161 AromaticContact CG-CZ2 3.64Å; Y92-W161 HydrophobicContact CG-CZ2 3.64Å; N129-W161 VanDerWaalsContact ND2-CD1 3.3Å; Y134-W161 HydrophobicContact CD1-CB 4.07Å; Y134-W161 HydrophobicContact CD1-CG 4.47Å; C135-W161 WeakPolarHBondContact CA-O 3.27Å; C135-W161 WeakPolarHBondContact CB-O 3.41Å; C135-W161 PolarHBondContact N-O 3.34Å; M152-W161 HydrophobicContact CB-CB 4.22Å; M152-W161 HydrophobicContact CB-CE3 3.9Å; M152-W161 HydrophobicContact CE-CB 4.05Å; M152-W161 WeakPolarHBondContact O-CZ3 3.35Å; M152-W161 HydrophobicContact SD-CB 4.16Å; Q154-W161 HydrophobicContact CB-CD2 3.81Å; Q154-W161 HydrophobicContact CB-CE3 3.71Å; Q154-W161 HydrophobicContact CB-CH2 3.89Å; Q154-W161 HydrophobicContact CB-CZ2 3.96Å; Q154-W161 HydrophobicContact CB-CZ3 3.76Å; Q154-W161 HydrophobicContact CG-CD2 4.23Å; Q154-W161 HydrophobicContact CG-CZ2 4.37Å; Q154-W161 VanDerWaalsContact N-CE3 3.25Å
162	F	96.5	Very high	93.7	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.5	-176.7	-63.1	-97.4	0	0	0	111.5	C135 I136 M152 I153 C155 D160 L167 M180 C182	C135-F162 HydrophobicContact CB-CD1 4.48Å; I136-F162 HydrophobicContact CG2-CD1 4.37Å; I136-F162 HydrophobicContact CG2-CE1 3.91Å; M152-F162 CarbonylContact C-O 3.53Å; M152-F162 WeakPolarHBondContact CA-O 3.49Å; I153-F162 PolarHBondContact N-O 2.91Å; I153-F162 PolarHBondContact O-N 3.43Å; C155-F162 HydrophobicContact CB-CD2 4.08Å; C155-F162 HydrophobicContact CB-CE2 3.63Å; D160-F162 HydrophobicContact CB-CE2 3.7Å; D160-F162 HydrophobicContact CB-CZ 3.93Å; D160-F162 WeakPolarHBondContact O-CD2 3.43Å; D160-F162 WeakPolarHBondContact O-CE2 3.38Å; F162-L167 HydrophobicContact CB-CD1 4.35Å; F162-L167 HydrophobicContact CB-CD2 3.56Å; F162-L167 HydrophobicContact CB-CG 3.96Å; F162-L167 HydrophobicContact CD1-CD2 4.21Å; F162-L167 HydrophobicContact CD2-CD2 4.43Å; F162-L167 HydrophobicContact CG-CD2 3.83Å; F162-M180 HydrophobicContact CB-CE 4.4Å; F162-M180 HydrophobicContact CD2-CE 4Å; F162-C182 HydrophobicContact CD2-CB 4.21Å; F162-C182 HydrophobicContact CE1-CB 4.24Å; F162-C182 HydrophobicContact CE2-CB 3.82Å; F162-C182 HydrophobicContact CZ-CB 3.86Å
163	H	94.3	Very high	93.4	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	136	163.6	-61.9	111.9	0	0	0	110.1	C137 R165 H166	C137-H163 PolarHBondContact SG-ND1 3.42Å; H163-R165 HydrophobicContact CB-CG 4.14Å; H163-R165 PolarHBondContact O-N 3.09Å; H163-H166 HydrophobicContact CB-CB 4.41Å; H163-H166 AromaticContact ND1-ND1 3.69Å; H163-H166 PolarHBondContact O-N 3.12Å
164	G	91.8	Very high	92.4	Very high	4 Å²	4	41 Å²	41	4%	0.041	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-54.5	-41.7	-179.5	0	0	0	0	0	112.2	D150 H166 L167	D150-G164 PolarHBondContact OD1-N 2.98Å; D150-G164 PolarHBondContact OD2-N 2.99Å; G164-H166 PolarHBondContact O-N 2.95Å; G164-H166 VanDerWaalsContact O-N 3.16Å; G164-L167 PolarHBondContact O-N 3.43Å
165	R	91.8	Very high	91.5	Very high	89 Å²	89	43.5 Å²	43.5	34%	0.336	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.4	177.4	65.6	-179.2	159.6	-101.1	15.4	115.1	D146 I148 D150 H163	D146-R165 IonicContact OD1-CZ 3.42Å; D146-R165 IonicContact OD1-NH2 2.92Å; D146-R165 PolarHBondContact OD1-NH2 3.36Å; D146-R165 IonicContact OD2-CZ 2.86Å; D146-R165 IonicContact OD2-NH2 2.58Å; D146-R165 PolarHBondContact OD2-NH2 3.35Å; I148-R165 VanDerWaalsContact CG2-NH1 3.32Å; I148-R165 PolarHBondContact O-NH1 3.2Å; I148-R165 PolarHBondContact O-NH2 2.98Å; D150-R165 WeakPolarHBondContact OD2-CG 3.49Å; D150-R165 IonicContact OD2-CZ 3.57Å; D150-R165 PolarHBondContact OD2-N 3.32Å; D150-R165 IonicContact OD2-NE 3.44Å; D150-R165 IonicContact OD2-NH1 3.95Å; D150-R165 PolarHBondContact OD2-NH1 3.15Å; H163-R165 HydrophobicContact CB-CG 4.14Å; H163-R165 PolarHBondContact O-N 3.09Å
166	H	93.6	Very high	90.9	Very high	60 Å²	60	47.5 Å²	47.5	28%	0.278	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-100	7.5	-176.5	-65.4	153	0	0	0	114.1	C135 I136 H163 G164	C135-H166 VanDerWaalsContact SG-CB 3.53Å; C135-H166 PolarHBondContact SG-ND1 3.44Å; I136-H166 HydrophobicContact CD1-CB 4.07Å; I136-H166 HydrophobicContact CG1-CB 4.01Å; H163-H166 HydrophobicContact CB-CB 4.41Å; H163-H166 AromaticContact ND1-ND1 3.69Å; H163-H166 PolarHBondContact O-N 3.12Å; G164-H166 PolarHBondContact O-N 2.95Å; G164-H166 VanDerWaalsContact O-N 3.16Å
167	L	93.2	Very high	90.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	29%	0.292	C	S	.	.	S	Bend	trans	-89.4	-3.3	-179.2	-72.9	170.9	0	0	0	114.4	I153 F162 G164 A169 M180 C182 A302 Y304	I153-L167 HydrophobicContact CB-CD1 4.44Å; I153-L167 HydrophobicContact CD1-CD1 4.13Å; F162-L167 HydrophobicContact CB-CD1 4.35Å; F162-L167 HydrophobicContact CB-CD2 3.56Å; F162-L167 HydrophobicContact CB-CG 3.96Å; F162-L167 HydrophobicContact CD1-CD2 4.21Å; F162-L167 HydrophobicContact CD2-CD2 4.43Å; F162-L167 HydrophobicContact CG-CD2 3.83Å; G164-L167 PolarHBondContact O-N 3.43Å; L167-A169 PolarHBondContact O-N 3.31Å; L167-A169 VanDerWaalsContact O-N 3.15Å; L167-M180 HydrophobicContact CD1-CE 3.99Å; L167-M180 HydrophobicContact CD1-CG 4.46Å; L167-M180 HydrophobicContact CD1-SD 4.38Å; L167-M180 HydrophobicContact CD2-CE 3.73Å; L167-M180 HydrophobicContact CD2-SD 3.8Å; L167-C182 HydrophobicContact CD2-CB 4.23Å; L167-A302 HydrophobicContact CB-CB 3.76Å; L167-A302 HydrophobicContact CD2-CB 3.75Å; L167-A302 HydrophobicContact CG-CB 4.23Å; L167-A302 WeakPolarHBondContact O-CB 3.02Å; L167-A302 PolarHBondContact O-N 3.47Å; L167-Y304 HydrophobicContact CD1-CE1 4.39Å; L167-Y304 VanDerWaalsContact CD1-OH 3.29Å; L167-Y304 WeakPolarHBondContact CD1-OH 3.4Å
168	G	89.8	Confident	90.4	Very high	55 Å²	55	52 Å²	52	57%	0.567	30%	0.304	S	S	*	.	S	Bend	trans	71	-0	-178.7	0	0	0	0	0	114.7	T301	G168-T301 WeakPolarHBondContact O-CG2 3.37Å
169	A	86.4	Confident	90.3	Very high	33 Å²	33	50 Å²	50	27%	0.273	29%	0.29	S	S	.	.	S	Bend	trans	-143.5	140.9	173.2	0	0	0	0	0	108.6	L167 P171 T301 Y304	L167-A169 PolarHBondContact O-N 3.31Å; L167-A169 VanDerWaalsContact O-N 3.15Å; A169-P171 WeakPolarHBondContact O-CD 3.4Å; A169-T301 HydrophobicContact CB-CG2 4.46Å; A169-Y304 HydrophobicContact CB-CE2 4.31Å; A169-Y304 PolarHBondContact O-OH 2.86Å
170	I	87.7	Confident	90.3	Very high	144 Å²	144	48.9 Å²	48.9	74%	0.738	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-62.4	126.3	174.5	-57.2	173.5	0	0	0	108
171	P	89.8	Confident	90.3	Very high	32 Å²	32	48 Å²	48	21%	0.208	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-55.6	142.7	173.4	-24.4	33.1	0	0	0	112.3	I153 A169 K203 Y304	I153-P171 HydrophobicContact CD1-CB 3.94Å; I153-P171 HydrophobicContact CD1-CG 3.91Å; A169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-K203 PolarHBondContact O-NZ 3.46Å; P171-Y304 HydrophobicContact CB-CE1 4.2Å
172	P	88.9	Confident	90.4	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.065	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-56.7	169.5	160.6	-20.2	33.3	0	0	0	111	D176 F177 V201 Y304	P172-D176 HydrophobicContact CB-CB 3.58Å; P172-F177 HydrophobicContact CB-CD1 3.88Å; P172-F177 HydrophobicContact CG-CD1 4.07Å; P172-V201 HydrophobicContact CB-CG1 3.91Å; P172-V201 HydrophobicContact CG-CB 4.18Å; P172-V201 HydrophobicContact CG-CG1 3.74Å; P172-Y304 VanDerWaalsContact CD-CD2 3.49Å; P172-Y304 VanDerWaalsContact CD-CG 3.42Å; P172-Y304 HydrophobicContact CG-CD1 4.35Å; P172-Y304 HydrophobicContact CG-CD2 4Å; P172-Y304 HydrophobicContact CG-CG 3.82Å
173	E	83.9	Confident	90.4	Very high	131 Å²	131	48.9 Å²	48.9	61%	0.612	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-69.6	157.1	176.9	-62.8	-178	-172.5	0	0	110.3	G175 D176	E173-G175 PolarHBondContact O-N 3.42Å; E173-D176 PolarHBondContact N-OD2 3.33Å; E173-D176 WeakPolarHBondContact O-CB 3.34Å; E173-D176 PolarHBondContact O-N 2.78Å
174	S	74	Confident	90.5	Very high	114 Å²	114	51.9 Å²	51.9	80%	0.797	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	126.3	179.4	-166.6	0	0	0	0	109.3
175	G	77.8	Confident	90.8	Very high	69 Å²	69	52.1 Å²	52.1	71%	0.711	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-20.2	-172.1	0	0	0	0	0	115.8	E173 F177	E173-G175 PolarHBondContact O-N 3.42Å; G175-F177 PolarHBondContact O-N 3.2Å
176	D	84.7	Confident	91.1	Very high	83 Å²	83	47.9 Å²	47.9	44%	0.444	30%	0.297	S	S	.	.	S	Bend	trans	-67.8	-23.3	176.4	-78.5	-22.5	0	0	0	112.9	P172 E173 V201	P172-D176 HydrophobicContact CB-CB 3.58Å; E173-D176 PolarHBondContact N-OD2 3.33Å; E173-D176 WeakPolarHBondContact O-CB 3.34Å; E173-D176 PolarHBondContact O-N 2.78Å; D176-V201 HydrophobicContact CB-CG1 4.19Å; D176-V201 WeakPolarHBondContact O-CG2 3.37Å
177	F	92.4	Very high	91.2	Very high	44 Å²	44	52.3 Å²	52.3	19%	0.193	32%	0.316	C	S	.	.			trans	-136.8	154	-175.1	72.9	-78.4	0	0	0	111.4	I153 P172 G175 M180 V201 Y304	I153-F177 HydrophobicContact CD1-CZ 4Å; I153-F177 HydrophobicContact CG2-CE2 4.07Å; I153-F177 HydrophobicContact CG2-CZ 4.33Å; P172-F177 HydrophobicContact CB-CD1 3.88Å; P172-F177 HydrophobicContact CG-CD1 4.07Å; G175-F177 PolarHBondContact O-N 3.2Å; F177-M180 HydrophobicContact CE2-CB 4.42Å; F177-V201 HydrophobicContact CB-CB 4.44Å; F177-V201 HydrophobicContact CB-CG2 3.97Å; F177-Y304 HydrophobicContact CD1-CD1 4.39Å; F177-Y304 AromaticContact CD2-CD1 3.8Å; F177-Y304 HydrophobicContact CD2-CD1 3.8Å; F177-Y304 HydrophobicContact CE1-CD1 4.41Å; F177-Y304 AromaticContact CE2-CD1 3.84Å; F177-Y304 HydrophobicContact CE2-CD1 3.84Å; F177-Y304 HydrophobicContact CE2-CE1 4.41Å; F177-Y304 HydrophobicContact CG-CD1 4.08Å; F177-Y304 HydrophobicContact CZ-CD1 4.15Å; F177-Y304 HydrophobicContact CZ-CE1 4.44Å
178	Q	92.5	Very high	91.4	Very high	69 Å²	69	57.4 Å²	57.4	32%	0.322	34%	0.335	S	S	.	.	S	Bend	trans	-105.1	-35.2	-178.6	-174.2	59.1	75.6	0	0	113.2	W305 L307	Q178-W305 PolarHBondContact N-O 3.44Å; Q178-L307 HydrophobicContact CB-CB 4.45Å; Q178-L307 HydrophobicContact CG-CD1 4.03Å
179	E	95.9	Very high	91.8	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.033	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.8	-175.4	-66.1	-160.2	125.9	0	0	111.3	V156 W305 W309 R310	V156-E179 HydrophobicContact CB-CB 4.49Å; V156-E179 HydrophobicContact CG1-CB 3.67Å; V156-E179 HydrophobicContact CG1-CG 3.82Å; V156-E179 HydrophobicContact CG2-CB 4.12Å; E179-W305 HydrophobicContact CB-CB 4.45Å; E179-W305 PolarHBondContact N-O 2.92Å; E179-W305 PolarHBondContact O-N 2.93Å; E179-W309 PolarHBondContact OE2-NE1 2.94Å; E179-R310 IonicContact OE1-CZ 3.99Å; E179-R310 IonicContact OE1-NE 3.87Å; E179-R310 PolarHBondContact OE1-NE 3.33Å; E179-R310 IonicContact OE1-NH2 2.64Å; E179-R310 PolarHBondContact OE1-NH2 2.93Å; E179-R310 IonicContact OE2-CZ 3.57Å; E179-R310 IonicContact OE2-NE 3.81Å; E179-R310 PolarHBondContact OE2-NE 3.41Å; E179-R310 IonicContact OE2-NH2 3.17Å; E179-R310 PolarHBondContact OE2-NH2 3.03Å
180	M	96.9	Very high	92.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138	176.7	-177.5	-82.2	-71.9	0	0	110.6	I153 C155 V156 F162 L167 F177 C182 A302 Y304	I153-M180 HydrophobicContact CB-CE 3.94Å; I153-M180 HydrophobicContact CG2-CB 3.63Å; I153-M180 HydrophobicContact CG2-CE 3.75Å; I153-M180 HydrophobicContact CG2-CG 4.05Å; I153-M180 VanDerWaalsContact O-CE 3.22Å; I153-M180 WeakPolarHBondContact O-CE 3.23Å; C155-M180 CarbonylContact C-O 3.57Å; C155-M180 WeakPolarHBondContact CA-O 3.45Å; C155-M180 HydrophobicContact CB-CE 4.08Å; C155-M180 HydrophobicContact CB-SD 4.34Å; V156-M180 PolarHBondContact N-O 3.49Å; F162-M180 HydrophobicContact CB-CE 4.4Å; F162-M180 HydrophobicContact CD2-CE 4Å; L167-M180 HydrophobicContact CD1-CE 3.99Å; L167-M180 HydrophobicContact CD1-CG 4.46Å; L167-M180 HydrophobicContact CD1-SD 4.38Å; L167-M180 HydrophobicContact CD2-CE 3.73Å; L167-M180 HydrophobicContact CD2-SD 3.8Å; F177-M180 HydrophobicContact CE2-CB 4.42Å; M180-C182 HydrophobicContact SD-CB 4.05Å; M180-C182 PolarHBondContact SD-N 2.8Å; M180-A302 HydrophobicContact CG-CB 4.45Å; M180-A302 HydrophobicContact SD-CB 4.14Å; M180-Y304 HydrophobicContact CB-CD1 4.06Å; M180-Y304 HydrophobicContact CB-CE1 4.26Å; M180-Y304 HydrophobicContact CG-CD1 3.82Å; M180-Y304 HydrophobicContact CG-CE1 3.64Å
181	V	98.3	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	169.8	-175.4	0	0	0	0	108.7	V156 V157 C185 M186 L192 A302 T303	V156-V181 HydrophobicContact CG2-CG2 3.83Å; V157-V181 HydrophobicContact CB-CG1 4.43Å; V157-V181 HydrophobicContact CG2-CG1 3.86Å; V157-V181 HydrophobicContact CG2-CG2 4.07Å; V181-C185 HydrophobicContact CG1-CB 3.52Å; V181-M186 HydrophobicContact CB-CG 4.03Å; V181-M186 HydrophobicContact CB-SD 3.77Å; V181-M186 HydrophobicContact CG1-CG 3.75Å; V181-M186 HydrophobicContact CG1-SD 3.66Å; V181-L192 HydrophobicContact CG1-CD1 4.19Å; V181-L192 HydrophobicContact CG2-CD1 4.41Å; V181-A302 WeakPolarHBondContact O-CA 3.22Å; V181-T303 PolarHBondContact N-O 3.48Å; V181-T303 PolarHBondContact O-N 2.91Å
182	C	98	Very high	93	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.027	27%	0.269	C	S	.	.			trans	-68.5	159.7	-175.9	73.8	0	0	0	0	111.9	C155 F162 L167 M180 A184 C185 M186	C155-C182 HydrophobicContact CB-CB 4.01Å; C155-C182 PolarHBondContact SG-N 3.01Å; F162-C182 HydrophobicContact CD2-CB 4.21Å; F162-C182 HydrophobicContact CE1-CB 4.24Å; F162-C182 HydrophobicContact CE2-CB 3.82Å; F162-C182 HydrophobicContact CZ-CB 3.86Å; L167-C182 HydrophobicContact CD2-CB 4.23Å; M180-C182 HydrophobicContact SD-CB 4.05Å; M180-C182 PolarHBondContact SD-N 2.8Å; C182-A184 VanDerWaalsContact C-N 3.32Å; C182-A184 PolarHBondContact O-N 2.96Å; C182-C185 CarbonylContact O-C 3.6Å; C182-C185 WeakPolarHBondContact O-CA 3.32Å; C182-C185 PolarHBondContact O-N 3.43Å; C182-C185 VanDerWaalsContact SG-SG 3.67Å; C182-M186 PolarHBondContact O-N 3.31Å
183	Q	96.3	Very high	93.3	Very high	67 Å²	67	48 Å²	48	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-46.4	-49.9	-179.7	179.6	-172.1	-1.6	0	0	113.4	C185 M186 K187 D300	Q183-C185 VanDerWaalsContact C-N 3.32Å; Q183-C185 PolarHBondContact O-N 2.98Å; Q183-M186 PolarHBondContact O-N 3.4Å; Q183-K187 WeakPolarHBondContact O-CB 3.13Å; Q183-K187 PolarHBondContact O-N 3.21Å; Q183-D300 WeakPolarHBondContact CG-OD1 3.35Å; Q183-D300 PolarHBondContact NE2-O 3.45Å; Q183-D300 PolarHBondContact NE2-OD1 2.88Å; Q183-D300 PolarHBondContact NE2-OD2 3.48Å
184	A	96.9	Very high	93.9	Very high	70 Å²	70	41.9 Å²	41.9	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-62	-39.2	179.5	0	0	0	0	0	112.4	C182 K187 R188	C182-A184 VanDerWaalsContact C-N 3.32Å; C182-A184 PolarHBondContact O-N 2.96Å; A184-K187 PolarHBondContact O-N 3.33Å; A184-R188 WeakPolarHBondContact O-CB 3.25Å; A184-R188 PolarHBondContact O-N 2.89Å
185	C	98.2	Very high	95	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.054	20%	0.203	C	C	.	.	H	α-helix	trans	-73.7	-34.7	176.9	-73.3	0	0	0	0	112.8	V157 C158 V181 C182 Q183 K187 R188 C189	V157-C185 HydrophobicContact CB-CB 3.77Å; V157-C185 HydrophobicContact CG1-CB 3.83Å; V157-C185 VanDerWaalsContact CG1-SG 3.6Å; V157-C185 HydrophobicContact CG2-CB 4.39Å; C158-C185 VanDerWaalsContact SG-SG 3.69Å; V181-C185 HydrophobicContact CG1-CB 3.52Å; C182-C185 CarbonylContact O-C 3.6Å; C182-C185 WeakPolarHBondContact O-CA 3.32Å; C182-C185 PolarHBondContact O-N 3.43Å; C182-C185 VanDerWaalsContact SG-SG 3.67Å; Q183-C185 VanDerWaalsContact C-N 3.32Å; Q183-C185 PolarHBondContact O-N 2.98Å; C185-K187 VanDerWaalsContact C-N 3.32Å; C185-R188 PolarHBondContact O-N 3.03Å; C185-C189 VanDerWaalsContact O-CB 3.26Å; C185-C189 WeakPolarHBondContact O-CB 3.46Å; C185-C189 PolarHBondContact O-N 2.95Å
186	M	97.4	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-32	171.2	-73.4	-59.6	-66.7	0	0	112.4	V181 C182 Q183 C189 S190 L192 W193 A196 T303 W305	V181-M186 HydrophobicContact CB-CG 4.03Å; V181-M186 HydrophobicContact CB-SD 3.77Å; V181-M186 HydrophobicContact CG1-CG 3.75Å; V181-M186 HydrophobicContact CG1-SD 3.66Å; C182-M186 PolarHBondContact O-N 3.31Å; Q183-M186 PolarHBondContact O-N 3.4Å; M186-C189 CarbonylContact O-C 3.59Å; M186-S190 WeakPolarHBondContact O-CA 3.2Å; M186-S190 PolarHBondContact O-N 3.18Å; M186-L192 HydrophobicContact CE-CB 3.67Å; M186-L192 HydrophobicContact SD-CB 3.81Å; M186-L192 HydrophobicContact SD-CD1 3.78Å; M186-L192 HydrophobicContact SD-CG 4.46Å; M186-W193 HydrophobicContact CB-CH2 4.19Å; M186-W193 HydrophobicContact CB-CZ2 3.45Å; M186-W193 VanDerWaalsContact CB-CZ2 3.45Å; M186-W193 HydrophobicContact CE-CD2 3.61Å; M186-W193 HydrophobicContact CE-CE3 3.76Å; M186-W193 HydrophobicContact CE-CG 4.17Å; M186-W193 HydrophobicContact CE-CH2 3.87Å; M186-W193 HydrophobicContact CE-CZ2 3.78Å; M186-W193 HydrophobicContact CE-CZ3 3.87Å; M186-W193 HydrophobicContact CG-CH2 4.37Å; M186-W193 HydrophobicContact CG-CZ2 4.09Å; M186-W193 PolarHBondContact O-NE1 3.3Å; M186-A196 HydrophobicContact CE-CB 4.33Å; M186-T303 HydrophobicContact CE-CG2 4.31Å; M186-T303 WeakPolarHBondContact CE-OG1 3.39Å; M186-W305 HydrophobicContact CE-CZ2 4.13Å; M186-W305 HydrophobicContact SD-CZ2 4.03Å
187	K	96.1	Very high	96.2	Very high	154 Å²	154	32.6 Å²	32.6	67%	0.67	18%	0.175	S	C	*	.	H	α-helix	trans	-69.3	-44	172.5	-172.1	172.7	-176.2	170	0	111.7	Q183 A184 C185	Q183-K187 WeakPolarHBondContact O-CB 3.13Å; Q183-K187 PolarHBondContact O-N 3.21Å; A184-K187 PolarHBondContact O-N 3.33Å; C185-K187 VanDerWaalsContact C-N 3.32Å
188	R	97.2	Very high	96.1	Very high	110 Å²	110	35.1 Å²	35.1	42%	0.415	19%	0.187	S	C	.	.	H	α-helix	trans	-64.7	-54	175.7	-170.7	177.4	80	85	-5.6	111.6	A184 C185 S190 L326 V328	A184-R188 WeakPolarHBondContact O-CB 3.25Å; A184-R188 PolarHBondContact O-N 2.89Å; C185-R188 PolarHBondContact O-N 3.03Å; R188-S190 PolarHBondContact O-N 3.33Å; R188-S190 VanDerWaalsContact O-N 3.1Å; R188-L326 PolarHBondContact NH1-O 2.72Å; R188-V328 VanDerWaalsContact NH2-CG1 3.28Å
189	C	97.6	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	50.3	-179.3	-54.7	0	0	0	0	110.8	C185 M186 F191 L192	C185-C189 VanDerWaalsContact O-CB 3.26Å; C185-C189 WeakPolarHBondContact O-CB 3.46Å; C185-C189 PolarHBondContact O-N 2.95Å; M186-C189 CarbonylContact O-C 3.59Å; C189-F191 HydrophobicContact CB-CD1 4.31Å; C189-F191 HydrophobicContact CB-CE1 3.83Å; C189-F191 HydrophobicContact CB-CZ 4.43Å; C189-F191 PolarHBondContact O-N 3.07Å; C189-L192 HydrophobicContact CB-CD1 3.66Å; C189-L192 HydrophobicContact CB-CG 4.06Å; C189-L192 WeakPolarHBondContact O-CB 3.27Å; C189-L192 WeakPolarHBondContact O-CG 3.4Å; C189-L192 PolarHBondContact O-N 2.97Å
190	S	95.9	Very high	96.1	Very high	55 Å²	55	34.6 Å²	34.6	39%	0.385	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-8.6	-168	69.8	0	0	0	0	116	M186 R188 L192	M186-S190 WeakPolarHBondContact O-CA 3.2Å; M186-S190 PolarHBondContact O-N 3.18Å; R188-S190 PolarHBondContact O-N 3.33Å; R188-S190 VanDerWaalsContact O-N 3.1Å; S190-L192 VanDerWaalsContact C-N 3.25Å
191	F	96.2	Very high	95.9	Very high	7 Å²	7	36.2 Å²	36.2	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.7	168.5	73.1	-95.9	0	0	0	112.6	C189 W193 A194 Y195 L288 L313 M322 Y323 L326 V328 L331	C189-F191 HydrophobicContact CB-CD1 4.31Å; C189-F191 HydrophobicContact CB-CE1 3.83Å; C189-F191 HydrophobicContact CB-CZ 4.43Å; C189-F191 PolarHBondContact O-N 3.07Å; F191-W193 PolarHBondContact O-N 3.39Å; F191-A194 WeakPolarHBondContact O-CB 3.43Å; F191-A194 PolarHBondContact O-N 3.49Å; F191-Y195 HydrophobicContact CD2-CD2 4.27Å; F191-Y195 HydrophobicContact CD2-CE2 4.03Å; F191-Y195 HydrophobicContact CE2-CE2 4.45Å; F191-L288 HydrophobicContact CB-CD1 4.21Å; F191-L288 HydrophobicContact CB-CD2 4.06Å; F191-L313 HydrophobicContact CE2-CD2 4.35Å; F191-M322 HydrophobicContact CB-CE 3.87Å; F191-M322 HydrophobicContact CB-SD 4.08Å; F191-M322 HydrophobicContact CD1-CE 3.76Å; F191-M322 HydrophobicContact CD1-SD 4.26Å; F191-M322 HydrophobicContact CD2-CE 4.08Å; F191-M322 HydrophobicContact CE1-CE 4.32Å; F191-M322 HydrophobicContact CG-CE 3.63Å; F191-M322 HydrophobicContact CG-SD 4.31Å; F191-Y323 AromaticContact CD2-CE1 3.89Å; F191-Y323 HydrophobicContact CD2-CE1 3.89Å; F191-Y323 HydrophobicContact CE1-CD1 4.01Å; F191-Y323 HydrophobicContact CE1-CE1 4.08Å; F191-Y323 HydrophobicContact CE2-CD1 4.08Å; F191-Y323 AromaticContact CE2-CE1 3.39Å; F191-Y323 HydrophobicContact CE2-CE1 3.39Å; F191-Y323 HydrophobicContact CG-CE1 4.44Å; F191-Y323 AromaticContact CZ-CD1 3.68Å; F191-Y323 HydrophobicContact CZ-CD1 3.68Å; F191-Y323 AromaticContact CZ-CE1 3.5Å; F191-Y323 HydrophobicContact CZ-CE1 3.5Å; F191-Y323 VanDerWaalsContact CZ-CE1 3.5Å; F191-L326 HydrophobicContact CD1-CD1 3.73Å; F191-L326 HydrophobicContact CE1-CD1 3.74Å; F191-V328 HydrophobicContact CE1-CG2 4.2Å; F191-V328 HydrophobicContact CZ-CG2 4.31Å; F191-L331 HydrophobicContact CZ-CD1 4.23Å
192	L	97.3	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-29.3	-179.9	-70.8	175.8	0	0	0	112.3	V181 M186 C189 S190 A194 Y195 A196 W305 W309 L313	V181-L192 HydrophobicContact CG1-CD1 4.19Å; V181-L192 HydrophobicContact CG2-CD1 4.41Å; M186-L192 HydrophobicContact CE-CB 3.67Å; M186-L192 HydrophobicContact SD-CB 3.81Å; M186-L192 HydrophobicContact SD-CD1 3.78Å; M186-L192 HydrophobicContact SD-CG 4.46Å; C189-L192 HydrophobicContact CB-CD1 3.66Å; C189-L192 HydrophobicContact CB-CG 4.06Å; C189-L192 WeakPolarHBondContact O-CB 3.27Å; C189-L192 WeakPolarHBondContact O-CG 3.4Å; C189-L192 PolarHBondContact O-N 2.97Å; S190-L192 VanDerWaalsContact C-N 3.25Å; L192-A194 PolarHBondContact O-N 2.96Å; L192-Y195 CarbonylContact O-C 3.59Å; L192-Y195 WeakPolarHBondContact O-CA 3.32Å; L192-Y195 WeakPolarHBondContact O-CB 3.44Å; L192-Y195 PolarHBondContact O-N 2.85Å; L192-A196 PolarHBondContact O-N 3.45Å; L192-W305 HydrophobicContact CB-CH2 4.19Å; L192-W305 HydrophobicContact CB-CZ2 4.02Å; L192-W305 HydrophobicContact CD1-CZ2 4.49Å; L192-W305 HydrophobicContact CD2-CH2 4.27Å; L192-W305 HydrophobicContact CD2-CZ2 4.23Å; L192-W305 HydrophobicContact CG-CZ2 4.49Å; L192-W309 HydrophobicContact CD2-CH2 3.88Å; L192-W309 HydrophobicContact CD2-CZ3 3.65Å; L192-L313 HydrophobicContact CD2-CD2 4.37Å
193	W	96.3	Very high	93.7	Very high	16 Å²	16	45 Å²	45	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-31.3	176.8	-69.1	112.3	0	0	0	114.2	M186 F191 Y195 A196 A197 F296 K298 K299	M186-W193 HydrophobicContact CB-CH2 4.19Å; M186-W193 HydrophobicContact CB-CZ2 3.45Å; M186-W193 VanDerWaalsContact CB-CZ2 3.45Å; M186-W193 HydrophobicContact CE-CD2 3.61Å; M186-W193 HydrophobicContact CE-CE3 3.76Å; M186-W193 HydrophobicContact CE-CG 4.17Å; M186-W193 HydrophobicContact CE-CH2 3.87Å; M186-W193 HydrophobicContact CE-CZ2 3.78Å; M186-W193 HydrophobicContact CE-CZ3 3.87Å; M186-W193 HydrophobicContact CG-CH2 4.37Å; M186-W193 HydrophobicContact CG-CZ2 4.09Å; M186-W193 PolarHBondContact O-NE1 3.3Å; F191-W193 PolarHBondContact O-N 3.39Å; W193-Y195 VanDerWaalsContact C-N 3.28Å; W193-Y195 PolarHBondContact O-N 3.38Å; W193-A196 HydrophobicContact CE3-CB 4.22Å; W193-A197 PolarHBondContact O-N 3.5Å; W193-F296 HydrophobicContact CB-CD2 3.64Å; W193-F296 HydrophobicContact CB-CE2 3.49Å; W193-F296 VanDerWaalsContact CB-CE2 3.49Å; W193-K298 HydrophobicContact CB-CG 4.1Å; W193-K298 HydrophobicContact CD2-CB 4.17Å; W193-K298 HydrophobicContact CD2-CG 4.18Å; W193-K298 HydrophobicContact CG-CB 4.25Å; W193-K298 HydrophobicContact CG-CD 4.36Å; W193-K298 HydrophobicContact CG-CG 3.74Å; W193-K299 HydrophobicContact CH2-CB 4.13Å; W193-K299 WeakPolarHBondContact CH2-O 3.35Å; W193-K299 WeakPolarHBondContact CZ2-O 3.41Å; W193-K299 HydrophobicContact CZ3-CB 4.18Å
194	A	95.8	Very high	91.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-69.9	-26.6	176.1	0	0	0	0	0	112.4	F191 L192 L288 L291 K292 F296	F191-A194 WeakPolarHBondContact O-CB 3.43Å; F191-A194 PolarHBondContact O-N 3.49Å; L192-A194 PolarHBondContact O-N 2.96Å; A194-L288 HydrophobicContact CB-CD1 3.99Å; A194-L291 HydrophobicContact CB-CB 3.92Å; A194-K292 HydrophobicContact CB-CG 3.97Å; A194-F296 HydrophobicContact CB-CD1 4.38Å; A194-F296 HydrophobicContact CB-CE1 4.16Å; A194-F296 HydrophobicContact CB-CZ 4.43Å
195	Y	96.5	Very high	88.5	Confident	1 Å²	1	50 Å²	50	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-84.9	-43.7	172.8	-67.4	-77.4	0	0	0	111.9	F191 L192 W193 A197 Q198 L199 L288 L291 K312 L313 C314	F191-Y195 HydrophobicContact CD2-CD2 4.27Å; F191-Y195 HydrophobicContact CD2-CE2 4.03Å; F191-Y195 HydrophobicContact CE2-CE2 4.45Å; L192-Y195 CarbonylContact O-C 3.59Å; L192-Y195 WeakPolarHBondContact O-CA 3.32Å; L192-Y195 WeakPolarHBondContact O-CB 3.44Å; L192-Y195 PolarHBondContact O-N 2.85Å; W193-Y195 VanDerWaalsContact C-N 3.28Å; W193-Y195 PolarHBondContact O-N 3.38Å; Y195-A197 PolarHBondContact O-N 3.11Å; Y195-Q198 PolarHBondContact O-N 3.43Å; Y195-L199 HydrophobicContact CD1-CD1 4.18Å; Y195-L199 WeakPolarHBondContact O-CB 3.24Å; Y195-L199 PolarHBondContact O-N 3.32Å; Y195-L288 HydrophobicContact CD2-CD1 4.35Å; Y195-L288 HydrophobicContact CE2-CD1 3.67Å; Y195-L291 HydrophobicContact CD1-CD1 3.39Å; Y195-L291 HydrophobicContact CE1-CD1 3.28Å; Y195-L291 HydrophobicContact CG-CD1 4.11Å; Y195-K312 VanDerWaalsContact CE1-O 3.26Å; Y195-K312 WeakPolarHBondContact CE1-O 3.42Å; Y195-L313 HydrophobicContact CD1-CD2 4.17Å; Y195-L313 HydrophobicContact CD2-CD2 3.64Å; Y195-L313 HydrophobicContact CE1-CD2 4.05Å; Y195-L313 HydrophobicContact CE2-CD2 3.48Å; Y195-L313 VanDerWaalsContact CE2-CD2 3.48Å; Y195-L313 HydrophobicContact CG-CD2 3.99Å; Y195-C314 VanDerWaalsContact OH-CB 3.24Å; Y195-C314 WeakPolarHBondContact OH-CB 3.43Å; Y195-C314 PolarHBondContact OH-N 3Å
196	A	95.4	Very high	85.5	Confident	11 Å²	11	55.1 Å²	55.1	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-55	-38.7	-177.7	0	0	0	0	0	112.1	M186 L192 W193 Q198 L199 A200 T303 W305	M186-A196 HydrophobicContact CE-CB 4.33Å; L192-A196 PolarHBondContact O-N 3.45Å; W193-A196 HydrophobicContact CE3-CB 4.22Å; A196-Q198 PolarHBondContact O-N 2.82Å; A196-L199 PolarHBondContact O-N 2.85Å; A196-A200 HydrophobicContact CB-CB 4.1Å; A196-A200 WeakPolarHBondContact O-CB 3.27Å; A196-A200 PolarHBondContact O-N 3.17Å; A196-T303 HydrophobicContact CB-CG2 3.9Å; A196-W305 HydrophobicContact CB-CH2 3.8Å; A196-W305 HydrophobicContact CB-CZ2 4.27Å; A196-W305 HydrophobicContact CB-CZ3 4.42Å
197	A	92.5	Very high	82.9	Confident	59 Å²	59	64.1 Å²	64.1	49%	0.488	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-10.6	177.6	0	0	0	0	0	115.7	W193 Y195 F296	W193-A197 PolarHBondContact O-N 3.5Å; Y195-A197 PolarHBondContact O-N 3.11Å; A197-F296 HydrophobicContact CB-CB 3.65Å
198	Q	91.8	Very high	79.9	Confident	97 Å²	97	64.6 Å²	64.6	45%	0.453	35%	0.354	S	S	.	.	H	α-helix	trans	-127.6	-14.9	177.1	-86.5	155.5	86.3	0	0	113.7	Y195 A196 L291	Y195-Q198 PolarHBondContact O-N 3.43Å; A196-Q198 PolarHBondContact O-N 2.82Å; Q198-L291 VanDerWaalsContact OE1-CD2 3.32Å
199	L	94.4	Very high	76.9	Confident	41 Å²	41	66.7 Å²	66.7	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-126.1	-17.7	-171	-58.4	-179.9	0	0	0	114.3	Y195 A196 W305 P306 K312	Y195-L199 HydrophobicContact CD1-CD1 4.18Å; Y195-L199 WeakPolarHBondContact O-CB 3.24Å; Y195-L199 PolarHBondContact O-N 3.32Å; A196-L199 PolarHBondContact O-N 2.85Å; L199-W305 HydrophobicContact CB-CE3 4.38Å; L199-W305 HydrophobicContact CB-CZ3 4.23Å; L199-P306 WeakPolarHBondContact O-CD 3.34Å; L199-P306 VanDerWaalsContact O-CG 3.31Å; L199-P306 WeakPolarHBondContact O-CG 3.41Å; L199-K312 HydrophobicContact CD1-CB 3.56Å; L199-K312 HydrophobicContact CD1-CG 3.92Å; L199-K312 HydrophobicContact CD2-CG 4.3Å
200	A	94	Very high	74.1	Confident	25 Å²	25	69.4 Å²	69.4	21%	0.207	40%	0.401	C	S	.	.	S	Bend	trans	-68.7	142.2	-175.9	0	0	0	0	0	111.4	A196 T202 T303 Y304	A196-A200 HydrophobicContact CB-CB 4.1Å; A196-A200 WeakPolarHBondContact O-CB 3.27Å; A196-A200 PolarHBondContact O-N 3.17Å; A200-T202 PolarHBondContact O-N 3.34Å; A200-T303 HydrophobicContact CB-CG2 3.66Å; A200-Y304 WeakPolarHBondContact CA-O 3.27Å
201	V	92.6	Very high	71.1	Confident	34 Å²	34	74.7 Å²	74.7	21%	0.206	42%	0.424	C	S	.	.			trans	-70.6	120.6	171.9	-175.1	0	0	0	0	108.1	P172 D176 F177 Y304 P306	P172-V201 HydrophobicContact CB-CG1 3.91Å; P172-V201 HydrophobicContact CG-CB 4.18Å; P172-V201 HydrophobicContact CG-CG1 3.74Å; D176-V201 HydrophobicContact CB-CG1 4.19Å; D176-V201 WeakPolarHBondContact O-CG2 3.37Å; F177-V201 HydrophobicContact CB-CB 4.44Å; F177-V201 HydrophobicContact CB-CG2 3.97Å; V201-Y304 PolarHBondContact N-O 3.42Å; V201-P306 HydrophobicContact CG2-CB 4.14Å
202	T	83.6	Confident	68	Low	94 Å²	94	81 Å²	81	58%	0.577	46%	0.463	S	S	*	.			trans	-120.6	120.1	174.5	54.2	0	0	0	0	109.1	A200 I204	A200-T202 PolarHBondContact O-N 3.34Å; T202-I204 PolarHBondContact O-N 2.82Å; T202-I204 VanDerWaalsContact O-N 3.09Å
203	K	66	Low	64.7	Low	95 Å²	95	92 Å²	92	41%	0.413	51%	0.505	S	S	.	.			trans	-56.4	117	162.1	-86.7	179.1	160.5	161.8	0	108	P171 S205	P171-K203 PolarHBondContact O-NZ 3.46Å; K203-S205 PolarHBondContact O-N 3.48Å; K203-S205 VanDerWaalsContact O-N 3.08Å
204	I	45.9	Very low	61.4	Low	152 Å²	152	98.3 Å²	98.3	78%	0.779	54%	0.54	S	S	*	.			trans	-77.1	88	164.3	-56.6	176	0	0	0	105.1	T202 T206	T202-I204 PolarHBondContact O-N 2.82Å; T202-I204 VanDerWaalsContact O-N 3.09Å; I204-T206 VanDerWaalsContact C-N 3.34Å; I204-T206 PolarHBondContact O-N 3.26Å
205	S	38.1	Very low	58.5	Low	90 Å²	90	106.2 Å²	106.2	63%	0.629	58%	0.58	S	S	*	*			trans	-64.5	102.6	159.4	47.4	0	0	0	0	107	K203 E207	K203-S205 PolarHBondContact O-N 3.48Å; K203-S205 VanDerWaalsContact O-N 3.08Å; S205-E207 PolarHBondContact O-N 2.9Å
206	T	34	Very low	55.2	Low	115 Å²	115	113.7 Å²	113.7	71%	0.706	62%	0.62	S	S	*	*	S	Bend	trans	-48.8	136.6	147.9	46	0	0	0	0	107.1	I204	I204-T206 VanDerWaalsContact C-N 3.34Å; I204-T206 PolarHBondContact O-N 3.26Å
207	E	43.6	Very low	51.9	Low	190 Å²	190	116 Å²	116	89%	0.888	65%	0.645	S	S	*	*			trans	85.8	58.5	-169.8	-49	169.6	-131.3	0	0	116.1	S205	S205-E207 PolarHBondContact O-N 2.9Å
208	D	32.9	Very low	48.9	Very low	163 Å²	163	122.1 Å²	122.1	87%	0.872	67%	0.668	S	S	*	*				-155	149.3	119	-160.6	10.1	0	0	0	110.1
209	D	34.9	Very low	45.8	Very low	155 Å²	155	120.2 Å²	120.2	83%	0.829	67%	0.674	S	S	*	*			trans	-111.3	154.8	-155.2	-164.5	13.5	0	0	0	114.9
210	G	39.1	Very low	42.7	Very low	57 Å²	57	125.9 Å²	125.9	59%	0.588	71%	0.705	S	S	*	*			trans	65.7	90.5	150	0	0	0	0	0	119.4
211	L	32.4	Very low	39.6	Very low	165 Å²	165	133.6 Å²	133.6	86%	0.864	74%	0.736	S	S	*	*			trans	-164.5	62.6	140.6	-110.4	170.6	0	0	0	114
212	V	30.9	Very low	36.4	Very low	140 Å²	140	139.5 Å²	139.5	85%	0.848	76%	0.762	S	S	*	*			trans	-104.7	119.5	160.2	-176.5	0	0	0	0	108.6
213	R	28.7	Very low	33.7	Very low	231 Å²	231	142.1 Å²	142.1	87%	0.872	78%	0.777	S	S	*	*			trans	-79.1	128	174.9	-96.6	-179.8	158.1	144.2	-4.7	110.3
214	N	26.5	Very low	31.8	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	79%	0.789	S	S	*	*			trans	-56.9	142.8	174.1	-57.9	-47.1	0	0	0	112.7
215	I	34.5	Very low	30.9	Very low	167 Å²	167	146.2 Å²	146.2	86%	0.856	79%	0.794	S	S	*	*			trans	-133	127	143.7	-67.5	-175.2	0	0	0	106.5
216	D	28.3	Very low	30.2	Very low	157 Å²	157	145.5 Å²	145.5	84%	0.84	79%	0.794	S	S	*	*			trans	-63.4	159.6	177.3	-45.2	-81	0	0	0	111.5
217	G	25.6	Very low	29.7	Very low	61 Å²	61	147.9 Å²	147.9	63%	0.629	80%	0.797	S	S	*	*			cis	163.5	-167.1	6.9	0	0	0	0	0	109
218	I	29.7	Very low	28.8	Very low	187 Å²	187	146.5 Å²	146.5	96%	0.959	80%	0.796	S	S	*	*			trans	77	120.6	-174.8	-47.8	162.2	0	0	0	112.9
219	G	26.2	Very low	28.4	Very low	57 Å²	57	142 Å²	142	59%	0.588	79%	0.787	S	S	*	*			cis	161.3	126.7	-6.3	0	0	0	0	0	111.7
220	D	28.3	Very low	27.9	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	79%	0.792	S	S	*	*			trans	56.5	147.8	162.4	-44.6	-25.8	0	0	0	117.9
221	Q	29.3	Very low	27.3	Very low	186 Å²	186	149.4 Å²	149.4	87%	0.869	80%	0.802	S	S	*	*			cis	-156.4	150	22.8	-161.9	162.2	61.9	0	0	111.6
222	E	25.4	Very low	27	Very low	159 Å²	159	150.3 Å²	150.3	74%	0.743	80%	0.801	S	S	*	*			trans	-72.7	150	177.3	-53.9	170.5	122.4	0	0	113.3
223	V	26.9	Very low	26.6	Very low	148 Å²	148	150.4 Å²	150.4	90%	0.897	80%	0.797	S	S	*	*			trans	-139.8	112.2	140.1	-176.7	0	0	0	0	109.7
224	I	26.9	Very low	26.6	Very low	130 Å²	130	143.5 Å²	143.5	67%	0.667	78%	0.784	S	S	*	*			trans	-84.7	141.1	173.3	-63.4	168.2	0	0	0	109.9
225	K	26.1	Very low	26.5	Very low	204 Å²	204	142 Å²	142	89%	0.887	78%	0.781	S	S	*	*			trans	-159.2	119.6	142.8	-114.1	167.9	-171.2	-179	0	114.2
226	A	23.3	Very low	26.1	Very low	75 Å²	75	141.3 Å²	141.3	62%	0.62	78%	0.778	S	S	*	*			trans	-74	176.1	165	0	0	0	0	0	110.5
227	E	24.8	Very low	26	Very low	164 Å²	164	142.9 Å²	142.9	77%	0.766	78%	0.777	S	S	*	*			cis	-171.6	175.7	-1.8	-130.3	162.3	-157.7	0	0	108.6
228	N	24.9	Very low	26	Very low	161 Å²	161	148 Å²	148	86%	0.861	79%	0.785	S	S	*	*			trans	70.2	157.8	173.1	-43.6	-48.5	0	0	0	115.2
229	G	23	Very low	25.7	Very low	68 Å²	68	146.9 Å²	146.9	70%	0.701	78%	0.781	S	S	*	*			cis	159.2	151.7	1.5	0	0	0	0	0	107.8
230	E	24.3	Very low	25.8	Very low	196 Å²	196	149.4 Å²	149.4	92%	0.916	79%	0.785	S	S	*	*			cis	-150.4	-157.1	3.7	-68.1	-171	58.8	0	0	111.7
231	H	26.6	Very low	25.8	Very low	173 Å²	173	147.9 Å²	147.9	80%	0.801	78%	0.784	S	S	*	*			trans	-61.4	173.8	-174.5	-100.3	-46.4	0	0	0	122.2
232	Q	26	Very low	25.5	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	78%	0.781	S	S	*	*			trans	79.6	150.7	159.8	-73	166.5	44.6	0	0	118.5
233	D	24.2	Very low	25.6	Very low	142 Å²	142	149.3 Å²	149.3	76%	0.759	79%	0.79	S	S	*	*			cis	-169.1	161.6	-25.1	-178.2	28.9	0	0	0	109.5
234	S	27.3	Very low	25.5	Very low	87 Å²	87	145.4 Å²	145.4	61%	0.608	78%	0.78	S	S	*	*			trans	79.8	124.9	150.8	75.4	0	0	0	0	123.9
235	T	24.4	Very low	25.5	Very low	118 Å²	118	148.1 Å²	148.1	72%	0.724	79%	0.787	S	S	*	*			trans	70.2	112.4	137.6	45.3	0	0	0	0	124.9
236	L	27.5	Very low	25.5	Very low	151 Å²	151	144 Å²	144	79%	0.791	78%	0.775	S	S	*	*				44.3	120.2	122.7	-55.5	172.7	0	0	0	120.7
237	K	25.5	Very low	25.6	Very low	190 Å²	190	148.2 Å²	148.2	83%	0.826	79%	0.787	S	S	*	*				179.6	164.3	94	-94.7	-163.3	177.1	-167.1	0	113.9
238	E	25.8	Very low	25.7	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	79%	0.788	S	S	*	*			trans	-63	159.1	174.7	-58	145.4	111.3	0	0	113
239	D	23.5	Very low	25.7	Very low	164 Å²	164	148.6 Å²	148.6	88%	0.877	79%	0.792	S	S	*	*				-163.4	154.9	116	-115.6	-40.4	0	0	0	113.8
240	V	28.7	Very low	25.6	Very low	111 Å²	111	153 Å²	153	67%	0.673	79%	0.794	S	S	*	*			trans	-94.1	161.8	-174.1	177.1	0	0	0	0	110.8	E242	V240-E242 HydrophobicContact CG1-CG 4.49Å
241	P	26.6	Very low	25.7	Very low	128 Å²	128	149.2 Å²	149.2	83%	0.831	78%	0.784	S	S	*	*				-140.9	130.6	121.6	28.7	-11.6	0	0	0	115
242	E	24.5	Very low	25.5	Very low	172 Å²	172	150 Å²	150	80%	0.804	79%	0.785	S	S	*	*			trans	-79.1	157.1	159.8	-68.7	-167.3	126.2	0	0	111.6	V240	V240-E242 HydrophobicContact CG1-CG 4.49Å
243	Q	27.3	Very low	25.5	Very low	202 Å²	202	145.2 Å²	145.2	94%	0.944	78%	0.777	S	S	*	*			trans	161.3	132.8	133.1	-89.5	165.5	10.9	0	0	109.1
244	G	25.4	Very low	25.4	Very low	66 Å²	66	145.8 Å²	145.8	68%	0.68	78%	0.775	S	S	*	*			cis	174	165.2	-8.1	0	0	0	0	0	110.7
245	K	26	Very low	25.3	Very low	187 Å²	187	149.1 Å²	149.1	81%	0.813	78%	0.781	S	S	*	*			trans	41.5	144.3	136.6	-65.4	-169.9	163.7	-142.9	0	121.1
246	D	26.2	Very low	25.2	Very low	119 Å²	119	149.7 Å²	149.7	64%	0.636	78%	0.78	S	S	*	*			cis	-157	156.6	-2.9	-92.1	-35.1	0	0	0	106.4
247	D	25	Very low	25.2	Very low	163 Å²	163	147.3 Å²	147.3	87%	0.872	78%	0.776	S	S	*	*				160.7	139.1	116.6	-102.5	-43.1	0	0	0	113.3
248	V	27.6	Very low	25.2	Very low	130 Å²	130	147 Å²	147	79%	0.788	78%	0.778	S	S	*	*			trans	-120.3	140.5	178.4	172.6	0	0	0	0	108.5
249	Q	23.7	Very low	25.5	Very low	202 Å²	202	144.5 Å²	144.5	94%	0.944	78%	0.776	S	S	*	*			trans	-139.6	127.7	154.9	-140.5	172.3	25.6	0	0	112.7
250	E	22.3	Very low	25.4	Very low	162 Å²	162	142.7 Å²	142.7	76%	0.757	78%	0.775	S	S	*	*			trans	-113.5	145	-175.6	-177.1	-161.8	-163.6	0	0	108.5
251	V	25.1	Very low	25.1	Very low	115 Å²	115	141.5 Å²	141.5	70%	0.697	78%	0.776	S	S	*	*				175.5	127.4	126.1	-87.6	0	0	0	0	115.1
252	K	24.1	Very low	25.1	Very low	189 Å²	189	140.9 Å²	140.9	82%	0.822	78%	0.775	S	S	*	*			trans	62.9	117.2	133.5	-64.9	179.8	179.1	-177.5	0	120.2
253	A	24.3	Very low	25.2	Very low	84 Å²	84	138 Å²	138	69%	0.694	77%	0.774	S	S	*	*				100.4	149.8	82.4	0	0	0	0	0	111
254	E	22.9	Very low	25.2	Very low	153 Å²	153	133.3 Å²	133.3	72%	0.715	76%	0.763	S	S	*	*			cis	-167.9	156.9	7.4	-132.2	174.8	-123	0	0	110.7
255	Q	25.4	Very low	25.3	Very low	157 Å²	157	135 Å²	135	73%	0.734	76%	0.764	S	S	*	*			trans	65.6	152.7	157.2	-55	-179.2	34.2	0	0	119
256	N	23	Very low	25.3	Very low	130 Å²	130	134 Å²	134	70%	0.695	76%	0.763	S	S	*	*			cis	-160.2	168	-0.1	-140.2	-26.1	0	0	0	113
257	S	25.6	Very low	25.4	Very low	102 Å²	102	134 Å²	134	71%	0.713	77%	0.772	S	S	*	*			trans	74.9	111.9	149.8	-53	0	0	0	0	123.6
258	E	26.6	Very low	25.4	Very low	184 Å²	184	132.4 Å²	132.4	86%	0.86	76%	0.763	S	S	*	*			trans	-66.1	167.9	139.1	-83.1	-164.1	158.6	0	0	111.3
259	P	32	Very low	25.4	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	77%	0.768	S	S	*	*			cis	-152.4	169.4	36.1	44.2	-22.5	0	0	0	120.8
260	C	21.4	Very low	25.7	Very low	126 Å²	126	131.8 Å²	131.8	85%	0.851	76%	0.756	S	S	*	*			trans	35.1	137	145.1	-110.3	0	0	0	0	126
261	A	22.2	Very low	25.8	Very low	85 Å²	85	131 Å²	131	70%	0.702	76%	0.763	S	S	*	*			trans	95.2	140.4	131.9	0	0	0	0	0	123
262	S	26.9	Very low	26	Very low	116 Å²	116	129.2 Å²	129.2	81%	0.811	75%	0.752	S	S	*	*			trans	62	112	168.3	49.1	0	0	0	0	117.9
263	S	26.4	Very low	26.2	Very low	110 Å²	110	128.6 Å²	128.6	77%	0.769	75%	0.75	S	S	*	*				70.6	111.9	76.8	176.1	0	0	0	0	114.7
264	S	26.6	Very low	26.3	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	76%	0.758	S	S	*	*				171.7	126.2	125	-72.4	0	0	0	0	113.5
265	S	27.4	Very low	26.7	Very low	101 Å²	101	133.5 Å²	133.5	71%	0.706	76%	0.76	S	S	*	*			trans	41.7	111.7	143.5	62.2	0	0	0	0	121.1
266	E	27.5	Very low	26.9	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	77%	0.768	S	S	*	*				81.7	124.1	92.4	-71.5	-55.2	149.8	0	0	115.6
267	S	28.5	Very low	27.7	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	77%	0.773	S	S	*	*			trans	-153.2	119.1	144.7	34.6	0	0	0	0	111.3
268	D	24.7	Very low	28.2	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	78%	0.781	S	S	*	*			trans	-52	152.4	-179.1	-70.5	-84.5	0	0	0	115.7
269	L	27	Very low	29	Very low	168 Å²	168	135.2 Å²	135.2	88%	0.88	77%	0.774	S	S	*	*				-159	106.1	108.5	-105.3	168.6	0	0	0	112.3
270	Q	29.5	Very low	29.2	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	78%	0.775	S	S	*	*			trans	-70.6	146.4	162.8	-80.2	-179.4	-16.7	0	0	111.3	V272	Q270-V272 HydrophobicContact CB-CG2 4.16Å; Q270-V272 HydrophobicContact CG-CG2 4.43Å
271	T	25.7	Very low	30.4	Very low	145 Å²	145	135.3 Å²	135.3	89%	0.89	77%	0.768	S	S	*	*			trans	-144.4	132.3	144.2	-55.9	0	0	0	0	107.8
272	V	29.3	Very low	31.6	Very low	78 Å²	78	136.1 Å²	136.1	47%	0.473	77%	0.768	S	S	.	*			trans	-134.9	151.8	-163.6	-156.4	0	0	0	0	111.6	Q270	Q270-V272 HydrophobicContact CB-CG2 4.16Å; Q270-V272 HydrophobicContact CG-CG2 4.43Å
273	F	28.1	Very low	32.7	Very low	177 Å²	177	140.4 Å²	140.4	78%	0.776	77%	0.772	S	S	*	*			trans	77.1	140.6	169.3	-46.7	-68	0	0	0	115.9
274	K	26.4	Very low	34.3	Very low	199 Å²	199	139.6 Å²	139.6	87%	0.865	77%	0.767	S	S	*	*			cis	-135.9	155.7	25.8	-75.9	175.9	176.2	174.2	0	115.4
275	N	30.8	Very low	37.1	Very low	140 Å²	140	136.9 Å²	136.9	75%	0.749	76%	0.755	S	S	*	*			trans	-38.4	137.6	165.1	-47.4	-7.4	0	0	0	115.1
276	E	28.8	Very low	40.4	Very low	195 Å²	195	133.1 Å²	133.1	91%	0.911	73%	0.728	S	S	*	*				-127.4	140.1	128.8	-75.1	-163.5	129.8	0	0	109.1	L278	E276-L278 PolarHBondContact O-N 3.37Å
277	S	41.2	Very low	43.6	Very low	114 Å²	114	129.4 Å²	129.4	80%	0.797	71%	0.707	S	S	*	*			trans	-75.5	121.1	-177	-56.7	0	0	0	0	111
278	L	36.2	Very low	46.8	Very low	169 Å²	169	123.9 Å²	123.9	89%	0.885	67%	0.668	S	S	*	*			trans	-117.6	101.6	151.3	-74.1	178.2	0	0	0	108.8	E276 A280	E276-L278 PolarHBondContact O-N 3.37Å; L278-A280 PolarHBondContact O-N 3.4Å
279	N	41.7	Very low	50.2	Low	132 Å²	132	122.7 Å²	122.7	71%	0.706	66%	0.659	S	S	*	*			trans	-69.4	78.5	174.9	-162.4	41.6	0	0	0	109.1	E281	N279-E281 PolarHBondContact O-N 2.99Å
280	A	37.5	Very low	53.4	Low	93 Å²	93	119.8 Å²	119.8	77%	0.769	64%	0.641	S	S	*	*			trans	-81.3	63.6	174	0	0	0	0	0	110	L278 S282	L278-A280 PolarHBondContact O-N 3.4Å; A280-S282 PolarHBondContact O-N 2.92Å
281	E	45.9	Very low	56.5	Low	150 Å²	150	113.1 Å²	113.1	70%	0.701	61%	0.61	S	S	*	*			trans	-61.8	86.1	157.7	-76.1	179.5	171.2	0	0	107.8	N279 K283	N279-E281 PolarHBondContact O-N 2.99Å; E281-K283 PolarHBondContact O-N 3.39Å
282	S	46.5	Very low	59.7	Low	102 Å²	102	109.9 Å²	109.9	71%	0.713	58%	0.583	S	S	*	*			trans	-59.4	109.3	168	-178.3	0	0	0	0	107.6	A280 S284	A280-S282 PolarHBondContact O-N 2.92Å; S282-S284 PolarHBondContact O-N 3.44Å
283	K	50.4	Low	62.7	Low	205 Å²	205	110.4 Å²	110.4	89%	0.891	60%	0.595	S	S	*	*			trans	-70.3	67.2	170.8	-74.5	-179.9	171.8	176.1	0	110.1	E281 G285	E281-K283 PolarHBondContact O-N 3.39Å; K283-G285 PolarHBondContact O-N 3.43Å
284	S	60.1	Low	65.6	Low	94 Å²	94	107.3 Å²	107.3	66%	0.657	58%	0.582	S	S	*	*			trans	-72.3	108	156.1	52	0	0	0	0	107.5	S282	S282-S284 PolarHBondContact O-N 3.44Å
285	G	86.3	Confident	68.4	Low	46 Å²	46	107.2 Å²	107.2	47%	0.474	59%	0.585	S	S	.	*			trans	-56	141.9	178.1	0	0	0	0	0	111.3	K283 R287 E290	K283-G285 PolarHBondContact O-N 3.43Å; G285-R287 PolarHBondContact O-N 3.13Å; G285-E290 WeakPolarHBondContact CA-OE1 3.19Å
286	C	95.5	Very high	71.1	Confident	23 Å²	23	103.2 Å²	103.2	16%	0.155	56%	0.561	C	S	.	*			trans	-72.1	101.3	172.3	179.4	0	0	0	0	108.5	L288 Q289 E290 C316 C319	C286-L288 PolarHBondContact O-N 3.19Å; C286-Q289 HydrophobicContact CB-CB 4.16Å; C286-Q289 HydrophobicContact CB-CG 3.8Å; C286-Q289 WeakPolarHBondContact O-CA 3.21Å; C286-Q289 WeakPolarHBondContact O-CB 3.25Å; C286-Q289 PolarHBondContact O-N 2.98Å; C286-E290 PolarHBondContact O-N 2.65Å; C286-C316 PolarHBondContact SG-SG 2.8Å; C286-C319 PolarHBondContact SG-SG 3.07Å
287	R	95.6	Very high	73.8	Confident	90 Å²	90	100.2 Å²	100.2	34%	0.34	55%	0.549	S	S	.	.	H	α-helix	trans	-48.4	-36.7	177.5	-179.1	-179	-179.6	174.4	3.9	112.8	G285 Q289 E290 L291 K312 C314	G285-R287 PolarHBondContact O-N 3.13Å; R287-Q289 VanDerWaalsContact C-N 3.35Å; R287-Q289 PolarHBondContact O-N 3.45Å; R287-E290 PolarHBondContact O-N 3.39Å; R287-L291 HydrophobicContact CG-CD1 4.02Å; R287-L291 HydrophobicContact CG-CG 4.31Å; R287-L291 WeakPolarHBondContact O-CB 3.5Å; R287-L291 WeakPolarHBondContact O-CG 3.39Å; R287-L291 PolarHBondContact O-N 2.99Å; R287-K312 VanDerWaalsContact CZ-O 3.26Å; R287-K312 PolarHBondContact NE-O 3.31Å; R287-K312 PolarHBondContact NH1-O 2.95Å; R287-C314 HydrophobicContact CB-CB 4.08Å
288	L	95.9	Very high	76.1	Confident	1 Å²	1	100.7 Å²	100.7	1%	0.005	54%	0.537	C	S	.	.	H	α-helix	trans	-63.4	-38.8	175.4	177	57	0	0	0	112.5	F191 A194 Y195 C286 L291 K292 C314 M322	F191-L288 HydrophobicContact CB-CD1 4.21Å; F191-L288 HydrophobicContact CB-CD2 4.06Å; A194-L288 HydrophobicContact CB-CD1 3.99Å; Y195-L288 HydrophobicContact CD2-CD1 4.35Å; Y195-L288 HydrophobicContact CE2-CD1 3.67Å; C286-L288 PolarHBondContact O-N 3.19Å; L288-L291 PolarHBondContact O-N 3.42Å; L288-K292 HydrophobicContact CD1-CD 4.2Å; L288-K292 HydrophobicContact CD1-CG 4.17Å; L288-K292 HydrophobicContact CG-CD 4.09Å; L288-K292 WeakPolarHBondContact O-CB 3.43Å; L288-K292 VanDerWaalsContact O-CG 3.24Å; L288-K292 WeakPolarHBondContact O-CG 3.47Å; L288-K292 PolarHBondContact O-N 2.92Å; L288-C314 HydrophobicContact CB-CB 4.23Å; L288-M322 HydrophobicContact CD2-CE 3.42Å; L288-M322 VanDerWaalsContact CD2-CE 3.42Å; L288-M322 HydrophobicContact CD2-SD 4.07Å
289	Q	95.4	Very high	78.4	Confident	105 Å²	105	98.6 Å²	98.6	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-71.6	-37.8	177	-57.8	-62.4	-3.4	0	0	111.5	C286 R287 L291 K292 A293	C286-Q289 HydrophobicContact CB-CB 4.16Å; C286-Q289 HydrophobicContact CB-CG 3.8Å; C286-Q289 WeakPolarHBondContact O-CA 3.21Å; C286-Q289 WeakPolarHBondContact O-CB 3.25Å; C286-Q289 PolarHBondContact O-N 2.98Å; R287-Q289 VanDerWaalsContact C-N 3.35Å; R287-Q289 PolarHBondContact O-N 3.45Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 2.85Å; Q289-K292 PolarHBondContact O-N 3.45Å; Q289-A293 WeakPolarHBondContact O-CB 3.47Å; Q289-A293 PolarHBondContact O-N 3.1Å
290	E	94.8	Very high	80.5	Confident	107 Å²	107	97.4 Å²	97.4	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-42.1	172.3	-64.7	166	-167.4	0	0	111.8	G285 C286 R287 A293	G285-E290 WeakPolarHBondContact CA-OE1 3.19Å; C286-E290 PolarHBondContact O-N 2.65Å; R287-E290 PolarHBondContact O-N 3.39Å; E290-A293 PolarHBondContact O-N 2.78Å
291	L	94.6	Very high	83.2	Confident	10 Å²	10	94.2 Å²	94.2	5%	0.052	49%	0.485	C	S	.	.	H	α-helix	trans	-68.3	-39.4	174.7	-67.5	171.1	0	0	0	112	A194 Y195 Q198 R287 L288 Q289 A293 K294	A194-L291 HydrophobicContact CB-CB 3.92Å; Y195-L291 HydrophobicContact CD1-CD1 3.39Å; Y195-L291 HydrophobicContact CE1-CD1 3.28Å; Y195-L291 HydrophobicContact CG-CD1 4.11Å; Q198-L291 VanDerWaalsContact OE1-CD2 3.32Å; R287-L291 HydrophobicContact CG-CD1 4.02Å; R287-L291 HydrophobicContact CG-CG 4.31Å; R287-L291 WeakPolarHBondContact O-CB 3.5Å; R287-L291 WeakPolarHBondContact O-CG 3.39Å; R287-L291 PolarHBondContact O-N 2.99Å; L288-L291 PolarHBondContact O-N 3.42Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-L291 PolarHBondContact O-N 2.85Å; L291-A293 VanDerWaalsContact C-N 3.29Å; L291-A293 PolarHBondContact O-N 2.88Å; L291-K294 WeakPolarHBondContact O-CB 3.5Å; L291-K294 PolarHBondContact O-N 3.45Å
292	K	92.6	Very high	85.6	Confident	78 Å²	78	87.2 Å²	87.2	34%	0.339	45%	0.453	S	S	.	.	H	α-helix	trans	-67.8	-24.8	176	-78.9	172	176.7	174.1	0	113.8	A194 L288 Q289 K294 F296	A194-K292 HydrophobicContact CB-CG 3.97Å; L288-K292 HydrophobicContact CD1-CD 4.2Å; L288-K292 HydrophobicContact CD1-CG 4.17Å; L288-K292 HydrophobicContact CG-CD 4.09Å; L288-K292 WeakPolarHBondContact O-CB 3.43Å; L288-K292 VanDerWaalsContact O-CG 3.24Å; L288-K292 WeakPolarHBondContact O-CG 3.47Å; L288-K292 PolarHBondContact O-N 2.92Å; Q289-K292 PolarHBondContact O-N 3.45Å; K292-K294 VanDerWaalsContact C-N 3.29Å; K292-F296 HydrophobicContact CG-CE1 4.48Å
293	A	91.6	Very high	88	Confident	88 Å²	88	82.8 Å²	82.8	73%	0.727	42%	0.422	S	S	*	.	H	α-helix	trans	-73.7	-21.3	175.3	0	0	0	0	0	112.7	Q289 E290 L291	Q289-A293 WeakPolarHBondContact O-CB 3.47Å; Q289-A293 PolarHBondContact O-N 3.1Å; E290-A293 PolarHBondContact O-N 2.78Å; L291-A293 VanDerWaalsContact C-N 3.29Å; L291-A293 PolarHBondContact O-N 2.88Å
294	K	90.5	Very high	90.2	Very high	113 Å²	113	73.4 Å²	73.4	49%	0.491	38%	0.381	S	S	.	.	S	Bend	trans	-77.9	146.8	168.2	-57.7	179.4	-174.2	-177.4	0	109.4	L291 K292 F296	L291-K294 WeakPolarHBondContact O-CB 3.5Å; L291-K294 PolarHBondContact O-N 3.45Å; K292-K294 VanDerWaalsContact C-N 3.29Å; K294-F296 WeakPolarHBondContact O-CD1 3.26Å; K294-F296 PolarHBondContact O-N 2.98Å
295	Q	84.3	Confident	91.9	Very high	197 Å²	197	68.9 Å²	68.9	92%	0.921	35%	0.349	S	S	*	.			trans	-71.8	130.9	172.9	-169.7	172.5	8.1	0	0	110
296	F	87.7	Confident	92.3	Very high	56 Å²	56	68.7 Å²	68.7	25%	0.246	34%	0.34	C	S	.	.			trans	-136.3	150	175.4	60	-89.7	0	0	0	110.6	W193 A194 A197 K292 K294 K298	W193-F296 HydrophobicContact CB-CD2 3.64Å; W193-F296 HydrophobicContact CB-CE2 3.49Å; W193-F296 VanDerWaalsContact CB-CE2 3.49Å; A194-F296 HydrophobicContact CB-CD1 4.38Å; A194-F296 HydrophobicContact CB-CE1 4.16Å; A194-F296 HydrophobicContact CB-CZ 4.43Å; A197-F296 HydrophobicContact CB-CB 3.65Å; K292-F296 HydrophobicContact CG-CE1 4.48Å; K294-F296 WeakPolarHBondContact O-CD1 3.26Å; K294-F296 PolarHBondContact O-N 2.98Å; F296-K298 HydrophobicContact CD2-CG 4.36Å; F296-K298 HydrophobicContact CE2-CG 4.06Å
297	I	85.9	Confident	92.1	Very high	132 Å²	132	72.3 Å²	72.3	68%	0.677	36%	0.357	S	S	*	.			trans	-96.4	128.1	178.5	-60.1	173.8	0	0	0	108.5	K299	I297-K299 HydrophobicContact CG2-CG 4.37Å
298	K	88.8	Confident	91.8	Very high	124 Å²	124	72.2 Å²	72.2	54%	0.539	36%	0.363	S	S	.	.			trans	-85	111.6	166.7	-58.7	-175.5	180	176.1	0	107.5	W193 F296	W193-K298 HydrophobicContact CB-CG 4.1Å; W193-K298 HydrophobicContact CD2-CB 4.17Å; W193-K298 HydrophobicContact CD2-CG 4.18Å; W193-K298 HydrophobicContact CG-CB 4.25Å; W193-K298 HydrophobicContact CG-CD 4.36Å; W193-K298 HydrophobicContact CG-CG 3.74Å; F296-K298 HydrophobicContact CD2-CG 4.36Å; F296-K298 HydrophobicContact CE2-CG 4.06Å
299	K	84.5	Confident	91.7	Very high	125 Å²	125	72.4 Å²	72.4	54%	0.543	36%	0.364	S	S	.	.			trans	-84.9	142.1	171.4	-62.2	-174.9	178.6	-176.3	0	107.9	W193 I297 T301	W193-K299 HydrophobicContact CH2-CB 4.13Å; W193-K299 WeakPolarHBondContact CH2-O 3.35Å; W193-K299 WeakPolarHBondContact CZ2-O 3.41Å; W193-K299 HydrophobicContact CZ3-CB 4.18Å; I297-K299 HydrophobicContact CG2-CG 4.37Å; K299-T301 HydrophobicContact CB-CG2 4.22Å; K299-T301 WeakPolarHBondContact CB-OG1 3.46Å; K299-T301 PolarHBondContact O-N 2.99Å
300	D	87	Confident	91.8	Very high	106 Å²	106	67.6 Å²	67.6	57%	0.567	34%	0.341	S	S	*	.	S	Bend	trans	-87.1	54.7	177.4	-156.4	18.2	0	0	0	110.3	Q183	Q183-D300 WeakPolarHBondContact CG-OD1 3.35Å; Q183-D300 PolarHBondContact NE2-O 3.45Å; Q183-D300 PolarHBondContact NE2-OD1 2.88Å; Q183-D300 PolarHBondContact NE2-OD2 3.48Å
301	T	93.5	Very high	91.8	Very high	26 Å²	26	65.5 Å²	65.5	16%	0.16	34%	0.338	C	S	.	.	S	Bend	trans	-139.6	168.5	-169.8	68.6	0	0	0	0	110.7	G168 A169 K299	G168-T301 WeakPolarHBondContact O-CG2 3.37Å; A169-T301 HydrophobicContact CB-CG2 4.46Å; K299-T301 HydrophobicContact CB-CG2 4.22Å; K299-T301 WeakPolarHBondContact CB-OG1 3.46Å; K299-T301 PolarHBondContact O-N 2.99Å
302	A	96.1	Very high	91.9	Very high	3 Å²	3	69 Å²	69	3%	0.025	35%	0.353	C	S	.	.			trans	-61.8	164.6	163	0	0	0	0	0	112.1	L167 M180 V181	L167-A302 HydrophobicContact CB-CB 3.76Å; L167-A302 HydrophobicContact CD2-CB 3.75Å; L167-A302 HydrophobicContact CG-CB 4.23Å; L167-A302 WeakPolarHBondContact O-CB 3.02Å; L167-A302 PolarHBondContact O-N 3.47Å; M180-A302 HydrophobicContact CG-CB 4.45Å; M180-A302 HydrophobicContact SD-CB 4.14Å; V181-A302 WeakPolarHBondContact O-CA 3.22Å
303	T	96.9	Very high	92.1	Very high	9 Å²	9	65.8 Å²	65.8	6%	0.055	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.2	175.4	-61.6	0	0	0	0	109.8	V181 M186 A196 A200 W305	V181-T303 PolarHBondContact N-O 3.48Å; V181-T303 PolarHBondContact O-N 2.91Å; M186-T303 HydrophobicContact CE-CG2 4.31Å; M186-T303 WeakPolarHBondContact CE-OG1 3.39Å; A196-T303 HydrophobicContact CB-CG2 3.9Å; A200-T303 HydrophobicContact CB-CG2 3.66Å; T303-W305 HydrophobicContact CG2-CD2 4.27Å; T303-W305 HydrophobicContact CG2-CH2 4.4Å; T303-W305 HydrophobicContact CG2-CZ2 3.7Å; T303-W305 PolarHBondContact O-NE1 3.17Å
304	Y	96.8	Very high	92.4	Very high	8 Å²	8	62.1 Å²	62.1	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.6	179.9	-54.3	-88.3	0	0	0	109.2	I153 L167 A169 P171 P172 F177 M180 A200 V201	I153-Y304 HydrophobicContact CD1-CE1 4.04Å; L167-Y304 HydrophobicContact CD1-CE1 4.39Å; L167-Y304 VanDerWaalsContact CD1-OH 3.29Å; L167-Y304 WeakPolarHBondContact CD1-OH 3.4Å; A169-Y304 HydrophobicContact CB-CE2 4.31Å; A169-Y304 PolarHBondContact O-OH 2.86Å; P171-Y304 HydrophobicContact CB-CE1 4.2Å; P172-Y304 VanDerWaalsContact CD-CD2 3.49Å; P172-Y304 VanDerWaalsContact CD-CG 3.42Å; P172-Y304 HydrophobicContact CG-CD1 4.35Å; P172-Y304 HydrophobicContact CG-CD2 4Å; P172-Y304 HydrophobicContact CG-CG 3.82Å; F177-Y304 HydrophobicContact CD1-CD1 4.39Å; F177-Y304 AromaticContact CD2-CD1 3.8Å; F177-Y304 HydrophobicContact CD2-CD1 3.8Å; F177-Y304 HydrophobicContact CE1-CD1 4.41Å; F177-Y304 AromaticContact CE2-CD1 3.84Å; F177-Y304 HydrophobicContact CE2-CD1 3.84Å; F177-Y304 HydrophobicContact CE2-CE1 4.41Å; F177-Y304 HydrophobicContact CG-CD1 4.08Å; F177-Y304 HydrophobicContact CZ-CD1 4.15Å; F177-Y304 HydrophobicContact CZ-CE1 4.44Å; M180-Y304 HydrophobicContact CB-CD1 4.06Å; M180-Y304 HydrophobicContact CB-CE1 4.26Å; M180-Y304 HydrophobicContact CG-CD1 3.82Å; M180-Y304 HydrophobicContact CG-CE1 3.64Å; A200-Y304 WeakPolarHBondContact CA-O 3.27Å; V201-Y304 PolarHBondContact N-O 3.42Å
305	W	96.3	Very high	92.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.4	-169.9	-58.5	88.9	0	0	0	111.1	Q178 E179 M186 L192 A196 L199 T303 W309	Q178-W305 PolarHBondContact N-O 3.44Å; E179-W305 HydrophobicContact CB-CB 4.45Å; E179-W305 PolarHBondContact N-O 2.92Å; E179-W305 PolarHBondContact O-N 2.93Å; M186-W305 HydrophobicContact CE-CZ2 4.13Å; M186-W305 HydrophobicContact SD-CZ2 4.03Å; L192-W305 HydrophobicContact CB-CH2 4.19Å; L192-W305 HydrophobicContact CB-CZ2 4.02Å; L192-W305 HydrophobicContact CD1-CZ2 4.49Å; L192-W305 HydrophobicContact CD2-CH2 4.27Å; L192-W305 HydrophobicContact CD2-CZ2 4.23Å; L192-W305 HydrophobicContact CG-CZ2 4.49Å; A196-W305 HydrophobicContact CB-CH2 3.8Å; A196-W305 HydrophobicContact CB-CZ2 4.27Å; A196-W305 HydrophobicContact CB-CZ3 4.42Å; L199-W305 HydrophobicContact CB-CE3 4.38Å; L199-W305 HydrophobicContact CB-CZ3 4.23Å; T303-W305 HydrophobicContact CG2-CD2 4.27Å; T303-W305 HydrophobicContact CG2-CH2 4.4Å; T303-W305 HydrophobicContact CG2-CZ2 3.7Å; T303-W305 PolarHBondContact O-NE1 3.17Å; W305-W309 HydrophobicContact CB-CB 4.19Å; W305-W309 VanDerWaalsContact CB-CD1 3.44Å; W305-W309 HydrophobicContact CB-CD2 3.88Å; W305-W309 HydrophobicContact CB-CG 3.57Å; W305-W309 AromaticContact CD2-CD2 3.74Å; W305-W309 HydrophobicContact CD2-CD2 3.74Å; W305-W309 AromaticContact CD2-CE3 3.74Å; W305-W309 HydrophobicContact CD2-CE3 3.74Å; W305-W309 HydrophobicContact CD2-CG 4.22Å; W305-W309 HydrophobicContact CD2-CH2 4.44Å; W305-W309 HydrophobicContact CD2-CZ2 4.46Å; W305-W309 HydrophobicContact CD2-CZ3 4.09Å; W305-W309 HydrophobicContact CE3-CB 4.18Å; W305-W309 AromaticContact CE3-CD2 3.66Å; W305-W309 HydrophobicContact CE3-CD2 3.66Å; W305-W309 AromaticContact CE3-CE3 3.38Å; W305-W309 HydrophobicContact CE3-CE3 3.38Å; W305-W309 HydrophobicContact CE3-CG 4.02Å; W305-W309 HydrophobicContact CE3-CZ3 4Å; W305-W309 AromaticContact CG-CD2 3.87Å; W305-W309 HydrophobicContact CG-CD2 3.87Å; W305-W309 AromaticContact CG-CE2 3.88Å; W305-W309 HydrophobicContact CG-CE3 4.35Å; W305-W309 HydrophobicContact CG-CG 4.09Å; W305-W309 HydrophobicContact CG-CZ2 4.37Å; W305-W309 HydrophobicContact CH2-CE3 4.32Å; W305-W309 HydrophobicContact CH2-CZ3 4.21Å; W305-W309 HydrophobicContact CZ2-CZ3 4.31Å; W305-W309 HydrophobicContact CZ3-CD2 4.43Å; W305-W309 AromaticContact CZ3-CE3 3.71Å; W305-W309 HydrophobicContact CZ3-CE3 3.71Å; W305-W309 HydrophobicContact CZ3-CZ3 4.06Å
306	P	94.1	Very high	93.4	Very high	42 Å²	42	53.7 Å²	53.7	27%	0.273	28%	0.281	S	S	.	.			trans	-74.8	169.3	178.6	33.2	-37.2	0	0	0	111.2	L199 V201 W309	L199-P306 WeakPolarHBondContact O-CD 3.34Å; L199-P306 VanDerWaalsContact O-CG 3.31Å; L199-P306 WeakPolarHBondContact O-CG 3.41Å; V201-P306 HydrophobicContact CG2-CB 4.14Å; P306-W309 HydrophobicContact CG-CB 4.4Å; P306-W309 WeakPolarHBondContact O-CB 3.44Å; P306-W309 VanDerWaalsContact O-CD1 3.31Å; P306-W309 PolarHBondContact O-N 2.7Å
307	L	90.7	Very high	93.9	Very high	99 Å²	99	59.1 Å²	59.1	52%	0.518	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	142.4	172.3	-174.9	65.2	0	0	0	111.7	Q178 W309 L339	Q178-L307 HydrophobicContact CB-CB 4.45Å; Q178-L307 HydrophobicContact CG-CD1 4.03Å; L307-W309 PolarHBondContact O-N 2.73Å; L307-L339 HydrophobicContact CD1-CD2 3.86Å
308	N	89.3	Confident	94.5	Very high	87 Å²	87	58.3 Å²	58.3	47%	0.465	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	21.3	179.3	-52.8	-43.9	0	0	0	115.6	R310 S311	N308-R310 VanDerWaalsContact C-N 3.26Å; N308-R310 PolarHBondContact O-N 2.86Å; N308-S311 WeakPolarHBondContact O-CB 3.29Å; N308-S311 PolarHBondContact O-N 2.91Å; N308-S311 PolarHBondContact O-OG 3.06Å
309	W	95.2	Very high	94.9	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.019	28%	0.28	C	S	.	.			trans	-63.6	-31.7	176.2	78.3	-82.9	0	0	0	112.8	E179 L192 W305 P306 L307 S311 K312 L313 L331	E179-W309 PolarHBondContact OE2-NE1 2.94Å; L192-W309 HydrophobicContact CD2-CH2 3.88Å; L192-W309 HydrophobicContact CD2-CZ3 3.65Å; W305-W309 HydrophobicContact CB-CB 4.19Å; W305-W309 VanDerWaalsContact CB-CD1 3.44Å; W305-W309 HydrophobicContact CB-CD2 3.88Å; W305-W309 HydrophobicContact CB-CG 3.57Å; W305-W309 AromaticContact CD2-CD2 3.74Å; W305-W309 HydrophobicContact CD2-CD2 3.74Å; W305-W309 AromaticContact CD2-CE3 3.74Å; W305-W309 HydrophobicContact CD2-CE3 3.74Å; W305-W309 HydrophobicContact CD2-CG 4.22Å; W305-W309 HydrophobicContact CD2-CH2 4.44Å; W305-W309 HydrophobicContact CD2-CZ2 4.46Å; W305-W309 HydrophobicContact CD2-CZ3 4.09Å; W305-W309 HydrophobicContact CE3-CB 4.18Å; W305-W309 AromaticContact CE3-CD2 3.66Å; W305-W309 HydrophobicContact CE3-CD2 3.66Å; W305-W309 AromaticContact CE3-CE3 3.38Å; W305-W309 HydrophobicContact CE3-CE3 3.38Å; W305-W309 HydrophobicContact CE3-CG 4.02Å; W305-W309 HydrophobicContact CE3-CZ3 4Å; W305-W309 AromaticContact CG-CD2 3.87Å; W305-W309 HydrophobicContact CG-CD2 3.87Å; W305-W309 AromaticContact CG-CE2 3.88Å; W305-W309 HydrophobicContact CG-CE3 4.35Å; W305-W309 HydrophobicContact CG-CG 4.09Å; W305-W309 HydrophobicContact CG-CZ2 4.37Å; W305-W309 HydrophobicContact CH2-CE3 4.32Å; W305-W309 HydrophobicContact CH2-CZ3 4.21Å; W305-W309 HydrophobicContact CZ2-CZ3 4.31Å; W305-W309 HydrophobicContact CZ3-CD2 4.43Å; W305-W309 AromaticContact CZ3-CE3 3.71Å; W305-W309 HydrophobicContact CZ3-CE3 3.71Å; W305-W309 HydrophobicContact CZ3-CZ3 4.06Å; P306-W309 HydrophobicContact CG-CB 4.4Å; P306-W309 WeakPolarHBondContact O-CB 3.44Å; P306-W309 VanDerWaalsContact O-CD1 3.31Å; P306-W309 PolarHBondContact O-N 2.7Å; L307-W309 PolarHBondContact O-N 2.73Å; W309-S311 VanDerWaalsContact C-N 3.33Å; W309-S311 PolarHBondContact O-N 2.86Å; W309-K312 VanDerWaalsContact O-CB 3.28Å; W309-K312 WeakPolarHBondContact O-CB 3.31Å; W309-K312 PolarHBondContact O-N 2.94Å; W309-L313 HydrophobicContact CE3-CD2 4.46Å; W309-L313 HydrophobicContact CH2-CD1 4.43Å; W309-L313 HydrophobicContact CZ3-CD1 4.08Å; W309-L313 HydrophobicContact CZ3-CD2 3.98Å; W309-L313 HydrophobicContact CZ3-CG 4.22Å; W309-L331 HydrophobicContact CH2-CD1 4.47Å; W309-L331 HydrophobicContact CH2-CD2 4.02Å; W309-L331 HydrophobicContact CZ2-CD2 4.06Å
310	R	96.5	Very high	95.6	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.019	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.6	-44.5	176.4	-68.2	-173.4	-179.3	-150.6	4.7	111.4	E179 N308 K312 L313 F330 L331 D333 E334 D336	E179-R310 IonicContact OE1-CZ 3.99Å; E179-R310 IonicContact OE1-NE 3.87Å; E179-R310 PolarHBondContact OE1-NE 3.33Å; E179-R310 IonicContact OE1-NH2 2.64Å; E179-R310 PolarHBondContact OE1-NH2 2.93Å; E179-R310 IonicContact OE2-CZ 3.57Å; E179-R310 IonicContact OE2-NE 3.81Å; E179-R310 PolarHBondContact OE2-NE 3.41Å; E179-R310 IonicContact OE2-NH2 3.17Å; E179-R310 PolarHBondContact OE2-NH2 3.03Å; N308-R310 VanDerWaalsContact C-N 3.26Å; N308-R310 PolarHBondContact O-N 2.86Å; R310-K312 PolarHBondContact O-N 3.44Å; R310-L313 VanDerWaalsContact O-CB 3.31Å; R310-L313 WeakPolarHBondContact O-CB 3.25Å; R310-L313 WeakPolarHBondContact O-CG 3.42Å; R310-L313 PolarHBondContact O-N 2.95Å; R310-F330 PolarHBondContact NH1-O 2.81Å; R310-L331 VanDerWaalsContact CB-O 3.25Å; R310-L331 WeakPolarHBondContact CB-O 3.49Å; R310-L331 WeakPolarHBondContact CD-O 3.45Å; R310-L331 WeakPolarHBondContact CG-O 3.25Å; R310-D333 PolarHBondContact NH1-O 2.67Å; R310-E334 WeakPolarHBondContact CB-OE1 3.42Å; R310-D336 IonicContact CZ-OD1 3.64Å; R310-D336 IonicContact NH1-OD1 2.67Å; R310-D336 PolarHBondContact NH1-OD1 3.17Å; R310-D336 IonicContact NH2-OD1 2.77Å; R310-D336 PolarHBondContact NH2-OD1 3.49Å
311	S	95.4	Very high	96.1	Very high	62 Å²	62	50.9 Å²	50.9	43%	0.434	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-54.6	-15.9	172.1	79.1	0	0	0	0	115.5	N308 W309 E334	N308-S311 WeakPolarHBondContact O-CB 3.29Å; N308-S311 PolarHBondContact O-N 2.91Å; N308-S311 PolarHBondContact O-OG 3.06Å; W309-S311 VanDerWaalsContact C-N 3.33Å; W309-S311 PolarHBondContact O-N 2.86Å; S311-E334 WeakPolarHBondContact CA-OE1 3.34Å; S311-E334 WeakPolarHBondContact CB-OE1 3.27Å; S311-E334 PolarHBondContact N-OE1 3.38Å
312	K	96.3	Very high	96.4	Very high	83 Å²	83	51.7 Å²	51.7	36%	0.361	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-92.7	-11	179.2	-48.4	-50.4	176.3	-150.2	0	112.9	Y195 L199 R287 W309 R310	Y195-K312 VanDerWaalsContact CE1-O 3.26Å; Y195-K312 WeakPolarHBondContact CE1-O 3.42Å; L199-K312 HydrophobicContact CD1-CB 3.56Å; L199-K312 HydrophobicContact CD1-CG 3.92Å; L199-K312 HydrophobicContact CD2-CG 4.3Å; R287-K312 VanDerWaalsContact CZ-O 3.26Å; R287-K312 PolarHBondContact NE-O 3.31Å; R287-K312 PolarHBondContact NH1-O 2.95Å; W309-K312 VanDerWaalsContact O-CB 3.28Å; W309-K312 WeakPolarHBondContact O-CB 3.31Å; W309-K312 PolarHBondContact O-N 2.94Å; R310-K312 PolarHBondContact O-N 3.44Å
313	L	97.3	Very high	96.5	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.058	27%	0.27	C	S	.	.	S	Bend	trans	-63.7	153	173.9	-64.8	-179.5	0	0	0	111.3	F191 L192 Y195 W309 R310 L331 T332	F191-L313 HydrophobicContact CE2-CD2 4.35Å; L192-L313 HydrophobicContact CD2-CD2 4.37Å; Y195-L313 HydrophobicContact CD1-CD2 4.17Å; Y195-L313 HydrophobicContact CD2-CD2 3.64Å; Y195-L313 HydrophobicContact CE1-CD2 4.05Å; Y195-L313 HydrophobicContact CE2-CD2 3.48Å; Y195-L313 VanDerWaalsContact CE2-CD2 3.48Å; Y195-L313 HydrophobicContact CG-CD2 3.99Å; W309-L313 HydrophobicContact CE3-CD2 4.46Å; W309-L313 HydrophobicContact CH2-CD1 4.43Å; W309-L313 HydrophobicContact CZ3-CD1 4.08Å; W309-L313 HydrophobicContact CZ3-CD2 3.98Å; W309-L313 HydrophobicContact CZ3-CG 4.22Å; R310-L313 VanDerWaalsContact O-CB 3.31Å; R310-L313 WeakPolarHBondContact O-CB 3.25Å; R310-L313 WeakPolarHBondContact O-CG 3.42Å; R310-L313 PolarHBondContact O-N 2.95Å; L313-L331 HydrophobicContact CD1-CB 3.81Å; L313-L331 WeakPolarHBondContact CD1-O 3.21Å; L313-T332 HydrophobicContact CB-CG2 4.32Å; L313-T332 HydrophobicContact CD1-CG2 4.31Å
314	C	97.9	Very high	96.5	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.074	28%	0.284	C	S	.	.			trans	-90.7	125.7	-177.4	-175.2	0	0	0	0	109.4	Y195 R287 L288 C319 Y323	Y195-C314 VanDerWaalsContact OH-CB 3.24Å; Y195-C314 WeakPolarHBondContact OH-CB 3.43Å; Y195-C314 PolarHBondContact OH-N 3Å; R287-C314 HydrophobicContact CB-CB 4.08Å; L288-C314 HydrophobicContact CB-CB 4.23Å; C314-C319 HydrophobicContact CB-CB 4.29Å; C314-C319 WeakPolarHBondContact O-CB 3.15Å; C314-Y323 PolarHBondContact N-OH 2.89Å; C314-Y323 VanDerWaalsContact O-CE2 3.27Å; C314-Y323 WeakPolarHBondContact O-CE2 3.45Å; C314-Y323 PolarHBondContact O-OH 3Å
315	T	97.8	Very high	96.6	Very high	99 Å²	99	58.1 Å²	58.1	61%	0.607	31%	0.314	S	S	*	.			trans	-103	18.8	-176.9	51.2	0	0	0	0	113.4	M320 T332	T315-M320 HydrophobicContact CG2-SD 4.15Å; T315-M320 WeakPolarHBondContact O-CG 3.46Å; T315-T332 HydrophobicContact CG2-CG2 4.29Å
316	C	97.9	Very high	96.7	Very high	34 Å²	34	60.4 Å²	60.4	23%	0.23	33%	0.326	C	S	.	.	S	Bend	trans	-66.4	160.5	173.2	78.1	0	0	0	0	111.5	C286 D318 C319 M320	C286-C316 PolarHBondContact SG-SG 2.8Å; C316-D318 VanDerWaalsContact C-N 3.3Å; C316-D318 PolarHBondContact O-N 3.24Å; C316-C319 PolarHBondContact O-N 2.94Å; C316-C319 VanDerWaalsContact SG-SG 3.62Å; C316-M320 WeakPolarHBondContact O-CG 3.45Å; C316-M320 PolarHBondContact O-N 2.91Å
317	Q	97.9	Very high	96.8	Very high	170 Å²	170	62.8 Å²	62.8	79%	0.794	34%	0.336	S	S	*	.	H	α-helix	trans	-52.7	-43.2	-174.6	-172.2	175	4.4	0	0	113.5	K321	Q317-K321 WeakPolarHBondContact O-CB 3.48Å; Q317-K321 PolarHBondContact O-N 3.45Å
318	D	97.9	Very high	97.2	Very high	116 Å²	116	58.1 Å²	58.1	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-64.8	-40.5	178.2	-64.1	-36.9	0	0	0	112.8	C316 M322	C316-D318 VanDerWaalsContact C-N 3.3Å; C316-D318 PolarHBondContact O-N 3.24Å; D318-M322 WeakPolarHBondContact O-CB 3.21Å; D318-M322 PolarHBondContact O-N 2.92Å
319	C	98.3	Very high	97.6	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-70.3	-44.9	178.1	-71.8	0	0	0	0	111.3	C286 C314 C316 K321 M322 Y323	C286-C319 PolarHBondContact SG-SG 3.07Å; C314-C319 HydrophobicContact CB-CB 4.29Å; C314-C319 WeakPolarHBondContact O-CB 3.15Å; C316-C319 PolarHBondContact O-N 2.94Å; C316-C319 VanDerWaalsContact SG-SG 3.62Å; C319-K321 VanDerWaalsContact C-N 3.31Å; C319-K321 PolarHBondContact O-N 3.18Å; C319-M322 PolarHBondContact O-N 2.94Å; C319-Y323 HydrophobicContact CB-CE2 4.06Å; C319-Y323 WeakPolarHBondContact O-CD1 3.29Å; C319-Y323 VanDerWaalsContact O-CD2 3.32Å; C319-Y323 WeakPolarHBondContact O-CD2 3.5Å; C319-Y323 PolarHBondContact O-N 3.4Å
320	M	98.3	Very high	97.6	Very high	61 Å²	61	59 Å²	59	30%	0.3	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-40.4	176.5	-64.7	-56.4	-70	0	0	111.4	T315 C316 Y323 G324 L329 T332	T315-M320 HydrophobicContact CG2-SD 4.15Å; T315-M320 WeakPolarHBondContact O-CG 3.46Å; C316-M320 WeakPolarHBondContact O-CG 3.45Å; C316-M320 PolarHBondContact O-N 2.91Å; M320-Y323 PolarHBondContact O-N 3.34Å; M320-Y323 HydrophobicContact SD-CD2 3.93Å; M320-Y323 HydrophobicContact SD-CE2 4.24Å; M320-G324 PolarHBondContact O-N 2.95Å; M320-L329 HydrophobicContact CE-CD2 3.72Å; M320-T332 HydrophobicContact SD-CG2 4.26Å
321	K	98.3	Very high	97.7	Very high	135 Å²	135	58.8 Å²	58.8	59%	0.587	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-50.5	172.1	-173.2	-171.4	171.5	-171	0	111.3	Q317 C319 Y323 G324 D325	Q317-K321 WeakPolarHBondContact O-CB 3.48Å; Q317-K321 PolarHBondContact O-N 3.45Å; C319-K321 VanDerWaalsContact C-N 3.31Å; C319-K321 PolarHBondContact O-N 3.18Å; K321-Y323 VanDerWaalsContact C-N 3.3Å; K321-Y323 PolarHBondContact O-N 3.45Å; K321-G324 CarbonylContact O-C 3.58Å; K321-G324 WeakPolarHBondContact O-CA 3.33Å; K321-G324 PolarHBondContact O-N 3.39Å; K321-D325 PolarHBondContact O-N 2.58Å
322	M	98.4	Very high	97.7	Very high	43 Å²	43	57.8 Å²	57.8	21%	0.212	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-37.6	177.9	-179.6	-165.3	63.5	0	0	112.6	F191 L288 D318 C319 G324 L326	F191-M322 HydrophobicContact CB-CE 3.87Å; F191-M322 HydrophobicContact CB-SD 4.08Å; F191-M322 HydrophobicContact CD1-CE 3.76Å; F191-M322 HydrophobicContact CD1-SD 4.26Å; F191-M322 HydrophobicContact CD2-CE 4.08Å; F191-M322 HydrophobicContact CE1-CE 4.32Å; F191-M322 HydrophobicContact CG-CE 3.63Å; F191-M322 HydrophobicContact CG-SD 4.31Å; L288-M322 HydrophobicContact CD2-CE 3.42Å; L288-M322 VanDerWaalsContact CD2-CE 3.42Å; L288-M322 HydrophobicContact CD2-SD 4.07Å; D318-M322 WeakPolarHBondContact O-CB 3.21Å; D318-M322 PolarHBondContact O-N 2.92Å; C319-M322 PolarHBondContact O-N 2.94Å; M322-G324 VanDerWaalsContact C-N 3.34Å; M322-L326 HydrophobicContact CG-CD1 4.14Å; M322-L326 WeakPolarHBondContact O-CB 3.4Å; M322-L326 WeakPolarHBondContact O-CG 3.34Å; M322-L326 PolarHBondContact O-N 2.98Å
323	Y	98.6	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-34.4	174.4	-57.4	-26.5	0	0	0	111.9	F191 C314 C319 M320 K321 D327 V328 L329 T332	F191-Y323 AromaticContact CD2-CE1 3.89Å; F191-Y323 HydrophobicContact CD2-CE1 3.89Å; F191-Y323 HydrophobicContact CE1-CD1 4.01Å; F191-Y323 HydrophobicContact CE1-CE1 4.08Å; F191-Y323 HydrophobicContact CE2-CD1 4.08Å; F191-Y323 AromaticContact CE2-CE1 3.39Å; F191-Y323 HydrophobicContact CE2-CE1 3.39Å; F191-Y323 HydrophobicContact CG-CE1 4.44Å; F191-Y323 AromaticContact CZ-CD1 3.68Å; F191-Y323 HydrophobicContact CZ-CD1 3.68Å; F191-Y323 AromaticContact CZ-CE1 3.5Å; F191-Y323 HydrophobicContact CZ-CE1 3.5Å; F191-Y323 VanDerWaalsContact CZ-CE1 3.5Å; C314-Y323 PolarHBondContact N-OH 2.89Å; C314-Y323 VanDerWaalsContact O-CE2 3.27Å; C314-Y323 WeakPolarHBondContact O-CE2 3.45Å; C314-Y323 PolarHBondContact O-OH 3Å; C319-Y323 HydrophobicContact CB-CE2 4.06Å; C319-Y323 WeakPolarHBondContact O-CD1 3.29Å; C319-Y323 VanDerWaalsContact O-CD2 3.32Å; C319-Y323 WeakPolarHBondContact O-CD2 3.5Å; C319-Y323 PolarHBondContact O-N 3.4Å; M320-Y323 PolarHBondContact O-N 3.34Å; M320-Y323 HydrophobicContact SD-CD2 3.93Å; M320-Y323 HydrophobicContact SD-CE2 4.24Å; K321-Y323 VanDerWaalsContact C-N 3.3Å; K321-Y323 PolarHBondContact O-N 3.45Å; Y323-D327 PolarHBondContact O-N 3.24Å; Y323-D327 VanDerWaalsContact O-N 3.1Å; Y323-V328 HydrophobicContact CD1-CG2 4.49Å; Y323-V328 PolarHBondContact O-N 3.03Å; Y323-L329 PolarHBondContact O-N 3.37Å; Y323-T332 HydrophobicContact CD2-CG2 3.82Å; Y323-T332 HydrophobicContact CE2-CG2 3.65Å
324	G	98.2	Very high	97.5	Very high	33 Å²	33	58.3 Å²	58.3	34%	0.34	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-49.5	172	0	0	0	0	0	112.6	M320 K321 M322 L326 D327	M320-G324 PolarHBondContact O-N 2.95Å; K321-G324 CarbonylContact O-C 3.58Å; K321-G324 WeakPolarHBondContact O-CA 3.33Å; K321-G324 PolarHBondContact O-N 3.39Å; M322-G324 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 2.92Å; G324-D327 PolarHBondContact O-N 3.44Å
325	D	98.3	Very high	97.3	Very high	122 Å²	122	66.5 Å²	66.5	65%	0.652	34%	0.341	S	S	*	.	H	α-helix	trans	-60.1	-27.6	177	-65.8	-22.9	0	0	0	112.1	K321	K321-D325 PolarHBondContact O-N 2.58Å
326	L	98.1	Very high	97.1	Very high	48 Å²	48	62 Å²	62	25%	0.251	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	0.2	174.5	-71.1	173.9	0	0	0	114.2	R188 F191 M322 G324 V328	R188-L326 PolarHBondContact NH1-O 2.72Å; F191-L326 HydrophobicContact CD1-CD1 3.73Å; F191-L326 HydrophobicContact CE1-CD1 3.74Å; M322-L326 HydrophobicContact CG-CD1 4.14Å; M322-L326 WeakPolarHBondContact O-CB 3.4Å; M322-L326 WeakPolarHBondContact O-CG 3.34Å; M322-L326 PolarHBondContact O-N 2.98Å; G324-L326 PolarHBondContact O-N 2.92Å; L326-V328 VanDerWaalsContact C-N 3.32Å; L326-V328 HydrophobicContact CB-CG2 3.83Å; L326-V328 PolarHBondContact O-N 2.89Å
327	D	96.9	Very high	96.9	Very high	92 Å²	92	61.1 Å²	61.1	49%	0.492	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	47.3	-178.1	-177.9	35	0	0	0	112.5	K125 Y323 G324 F330	K125-D327 VanDerWaalsContact NZ-CG 3.25Å; K125-D327 IonicContact NZ-OD1 2.67Å; K125-D327 PolarHBondContact NZ-OD1 2.82Å; K125-D327 VanDerWaalsContact NZ-OD1 3.17Å; K125-D327 IonicContact NZ-OD2 3.02Å; K125-D327 PolarHBondContact NZ-OD2 3.39Å; Y323-D327 PolarHBondContact O-N 3.24Å; Y323-D327 VanDerWaalsContact O-N 3.1Å; G324-D327 PolarHBondContact O-N 3.44Å; D327-F330 WeakPolarHBondContact O-CE1 3.38Å
328	V	98	Very high	96.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.			trans	-136.3	23.7	179.6	-63.3	0	0	0	0	114	V157 R188 F191 Y323 L326 F330 L331	V157-V328 HydrophobicContact CG1-CG1 4.15Å; R188-V328 VanDerWaalsContact NH2-CG1 3.28Å; F191-V328 HydrophobicContact CE1-CG2 4.2Å; F191-V328 HydrophobicContact CZ-CG2 4.31Å; Y323-V328 HydrophobicContact CD1-CG2 4.49Å; Y323-V328 PolarHBondContact O-N 3.03Å; L326-V328 VanDerWaalsContact C-N 3.32Å; L326-V328 HydrophobicContact CB-CG2 3.83Å; L326-V328 PolarHBondContact O-N 2.89Å; V328-F330 HydrophobicContact CB-CE1 4.24Å; V328-F330 HydrophobicContact CB-CZ 4.2Å; V328-F330 HydrophobicContact CG1-CE1 4.15Å; V328-F330 HydrophobicContact CG1-CZ 3.98Å; V328-F330 PolarHBondContact O-N 3.47Å; V328-F330 VanDerWaalsContact O-N 3.11Å; V328-L331 HydrophobicContact CB-CD1 3.82Å; V328-L331 HydrophobicContact CB-CG 4.13Å; V328-L331 HydrophobicContact CG1-CD1 4.44Å; V328-L331 HydrophobicContact CG2-CD1 4.11Å; V328-L331 WeakPolarHBondContact O-CB 3.37Å; V328-L331 PolarHBondContact O-N 3.49Å
329	L	97.5	Very high	96.4	Very high	83 Å²	83	51.6 Å²	51.6	44%	0.435	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31.2	174.8	-79.4	164.7	0	0	0	113.3	M320 Y323 L331 T332	M320-L329 HydrophobicContact CE-CD2 3.72Å; Y323-L329 PolarHBondContact O-N 3.37Å; L329-L331 PolarHBondContact O-N 3.24Å; L329-L331 VanDerWaalsContact O-N 3.13Å; L329-T332 PolarHBondContact O-N 2.88Å; L329-T332 PolarHBondContact O-OG1 2.84Å
330	F	96.7	Very high	96.1	Very high	29 Å²	29	52.8 Å²	52.8	13%	0.127	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.8	-24.5	176.1	63.9	-106.5	0	0	0	113.7	V156 R310 D327 V328 T332 D333 D336	V156-F330 WeakPolarHBondContact O-CE2 3.36Å; R310-F330 PolarHBondContact NH1-O 2.81Å; D327-F330 WeakPolarHBondContact O-CE1 3.38Å; V328-F330 HydrophobicContact CB-CE1 4.24Å; V328-F330 HydrophobicContact CB-CZ 4.2Å; V328-F330 HydrophobicContact CG1-CE1 4.15Å; V328-F330 HydrophobicContact CG1-CZ 3.98Å; V328-F330 PolarHBondContact O-N 3.47Å; V328-F330 VanDerWaalsContact O-N 3.11Å; F330-T332 PolarHBondContact O-N 3.03Å; F330-T332 VanDerWaalsContact O-N 3.12Å; F330-D333 PolarHBondContact O-N 3.02Å; F330-D336 HydrophobicContact CB-CB 4.5Å; F330-D336 WeakPolarHBondContact CD2-OD1 3.5Å
331	L	97.4	Very high	95.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.8	-16.3	176.7	-67.6	178.1	0	0	0	113.2	V157 F191 W309 R310 L313 V328 L329	V157-L331 HydrophobicContact CG2-CD2 4.32Å; F191-L331 HydrophobicContact CZ-CD1 4.23Å; W309-L331 HydrophobicContact CH2-CD1 4.47Å; W309-L331 HydrophobicContact CH2-CD2 4.02Å; W309-L331 HydrophobicContact CZ2-CD2 4.06Å; R310-L331 VanDerWaalsContact CB-O 3.25Å; R310-L331 WeakPolarHBondContact CB-O 3.49Å; R310-L331 WeakPolarHBondContact CD-O 3.45Å; R310-L331 WeakPolarHBondContact CG-O 3.25Å; L313-L331 HydrophobicContact CD1-CB 3.81Å; L313-L331 WeakPolarHBondContact CD1-O 3.21Å; V328-L331 HydrophobicContact CB-CD1 3.82Å; V328-L331 HydrophobicContact CB-CG 4.13Å; V328-L331 HydrophobicContact CG1-CD1 4.44Å; V328-L331 HydrophobicContact CG2-CD1 4.11Å; V328-L331 WeakPolarHBondContact O-CB 3.37Å; V328-L331 PolarHBondContact O-N 3.49Å; L329-L331 PolarHBondContact O-N 3.24Å; L329-L331 VanDerWaalsContact O-N 3.13Å
332	T	96.6	Very high	95.6	Very high	41 Å²	41	46.6 Å²	46.6	25%	0.252	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-95.9	-1.8	174.3	59.3	0	0	0	0	113.8	L313 T315 M320 Y323 L329 F330	L313-T332 HydrophobicContact CB-CG2 4.32Å; L313-T332 HydrophobicContact CD1-CG2 4.31Å; T315-T332 HydrophobicContact CG2-CG2 4.29Å; M320-T332 HydrophobicContact SD-CG2 4.26Å; Y323-T332 HydrophobicContact CD2-CG2 3.82Å; Y323-T332 HydrophobicContact CE2-CG2 3.65Å; L329-T332 PolarHBondContact O-N 2.88Å; L329-T332 PolarHBondContact O-OG1 2.84Å; F330-T332 PolarHBondContact O-N 3.03Å; F330-T332 VanDerWaalsContact O-N 3.12Å
333	D	95.4	Very high	95.2	Very high	41 Å²	41	47.8 Å²	47.8	22%	0.219	25%	0.251	C	S	.	.			trans	-97.8	117.3	174.9	-169.8	-5.6	0	0	0	109.4	K54 R310 F330 Y335 D336	K54-D333 IonicContact NZ-OD1 3.92Å; K54-D333 IonicContact NZ-OD2 2.67Å; K54-D333 PolarHBondContact NZ-OD2 3.44Å; R310-D333 PolarHBondContact NH1-O 2.67Å; F330-D333 PolarHBondContact O-N 3.02Å; D333-Y335 VanDerWaalsContact C-N 3.3Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.41Å; D333-Y335 WeakPolarHBondContact OD1-CD2 3.17Å; D333-Y335 PolarHBondContact OD1-N 2.85Å; D333-D336 HydrophobicContact CB-CB 3.87Å; D333-D336 WeakPolarHBondContact O-CB 3.38Å; D333-D336 PolarHBondContact O-N 3.36Å
334	E	93.8	Very high	94.8	Very high	63 Å²	63	53.2 Å²	53.2	29%	0.294	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-73.6	-25	176.7	-62.9	-70.4	-175.5	0	0	111.5	R310 S311 D336 T337 A340	R310-E334 WeakPolarHBondContact CB-OE1 3.42Å; S311-E334 WeakPolarHBondContact CA-OE1 3.34Å; S311-E334 WeakPolarHBondContact CB-OE1 3.27Å; S311-E334 PolarHBondContact N-OE1 3.38Å; E334-D336 PolarHBondContact O-N 2.67Å; E334-T337 WeakPolarHBondContact O-CG2 3.48Å; E334-T337 PolarHBondContact O-N 2.83Å; E334-T337 PolarHBondContact O-OG1 3.17Å; E334-A340 WeakPolarHBondContact O-CB 3.27Å
335	Y	92.2	Very high	94.2	Very high	183 Å²	183	51.7 Å²	51.7	72%	0.718	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-78.2	-0.9	176	-57.4	-80.3	0	0	0	113.4	D333	D333-Y335 VanDerWaalsContact C-N 3.3Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.41Å; D333-Y335 WeakPolarHBondContact OD1-CD2 3.17Å; D333-Y335 PolarHBondContact OD1-N 2.85Å
336	D	94.6	Very high	93.6	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.027	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-95.6	-2.9	175.7	178.8	-93	0	0	0	112.8	R55 R95 R310 F330 D333 E334	R55-D336 PolarHBondContact NE-O 3.17Å; R55-D336 PolarHBondContact NH2-O 2.83Å; R95-D336 VanDerWaalsContact CD-OD1 3.3Å; R95-D336 WeakPolarHBondContact CD-OD1 3.29Å; R95-D336 WeakPolarHBondContact CD-OD2 3.32Å; R95-D336 IonicContact CZ-OD1 3.9Å; R95-D336 IonicContact NE-OD1 2.62Å; R95-D336 IonicContact NH1-OD1 3.15Å; R95-D336 PolarHBondContact NH1-OD1 3.47Å; R310-D336 IonicContact CZ-OD1 3.64Å; R310-D336 IonicContact NH1-OD1 2.67Å; R310-D336 PolarHBondContact NH1-OD1 3.17Å; R310-D336 IonicContact NH2-OD1 2.77Å; R310-D336 PolarHBondContact NH2-OD1 3.49Å; F330-D336 HydrophobicContact CB-CB 4.5Å; F330-D336 WeakPolarHBondContact CD2-OD1 3.5Å; D333-D336 HydrophobicContact CB-CB 3.87Å; D333-D336 WeakPolarHBondContact O-CB 3.38Å; D333-D336 PolarHBondContact O-N 3.36Å; E334-D336 PolarHBondContact O-N 2.67Å
337	T	93.9	Very high	92.9	Very high	15 Å²	15	53.7 Å²	53.7	9%	0.092	26%	0.264	C	S	.	.	S	Bend	trans	-67.6	154.6	173.8	58.7	0	0	0	0	111.5	E334 L339 A340 Y341	E334-T337 WeakPolarHBondContact O-CG2 3.48Å; E334-T337 PolarHBondContact O-N 2.83Å; E334-T337 PolarHBondContact O-OG1 3.17Å; T337-L339 VanDerWaalsContact C-N 3.3Å; T337-A340 PolarHBondContact O-N 2.96Å; T337-A340 WeakPolarHBondContact OG1-CB 3.23Å; T337-A340 PolarHBondContact OG1-N 2.85Å; T337-Y341 PolarHBondContact O-N 3.47Å
338	V	92.4	Very high	92.1	Very high	37 Å²	37	51.6 Å²	51.6	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-43.3	170.9	176.5	0	0	0	0	109.8	T93 A340 Y341 E342	T93-V338 HydrophobicContact CG2-CG1 4.01Å; T93-V338 HydrophobicContact CG2-CG2 4.21Å; V338-A340 PolarHBondContact O-N 2.98Å; V338-Y341 CarbonylContact O-C 3.02Å; V338-Y341 WeakPolarHBondContact O-CA 3.42Å; V338-Y341 WeakPolarHBondContact O-CB 3.38Å; V338-Y341 PolarHBondContact O-N 3.2Å; V338-E342 HydrophobicContact CG1-CG 4.28Å; V338-E342 VanDerWaalsContact CG1-OE1 3.29Å; V338-E342 WeakPolarHBondContact CG1-OE1 3.29Å; V338-E342 WeakPolarHBondContact O-CG 3.3Å; V338-E342 PolarHBondContact O-N 3.47Å
339	L	91.7	Very high	90.9	Very high	49 Å²	49	52.5 Å²	52.5	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-56.9	-43.4	176.1	178.9	63.6	0	0	0	113.6	L307 T337 Y341 E342 N343	L307-L339 HydrophobicContact CD1-CD2 3.86Å; T337-L339 VanDerWaalsContact C-N 3.3Å; L339-Y341 VanDerWaalsContact C-N 3.26Å; L339-Y341 PolarHBondContact O-N 3.28Å; L339-E342 PolarHBondContact O-N 3.34Å; L339-N343 WeakPolarHBondContact O-CB 3.49Å; L339-N343 PolarHBondContact O-N 3.47Å; L339-N343 PolarHBondContact O-ND2 3.08Å
340	A	92.9	Very high	89.6	Confident	28 Å²	28	51.3 Å²	51.3	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-33.4	177.1	0	0	0	0	0	112.3	E334 T337 V338 K344	E334-A340 WeakPolarHBondContact O-CB 3.27Å; T337-A340 PolarHBondContact O-N 2.96Å; T337-A340 WeakPolarHBondContact OG1-CB 3.23Å; T337-A340 PolarHBondContact OG1-N 2.85Å; V338-A340 PolarHBondContact O-N 2.98Å; A340-K344 PolarHBondContact O-N 3.49Å
341	Y	93.6	Very high	88.1	Confident	10 Å²	10	55.6 Å²	55.6	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-41.4	174.6	169.5	-89.7	0	0	0	112	V37 L38 G39 S41 R55 A57 T93 T337 V338 L339 K344 G345	V37-Y341 WeakPolarHBondContact O-CE1 3.41Å; L38-Y341 PolarHBondContact O-OH 3.23Å; G39-Y341 VanDerWaalsContact CA-O 3.23Å; G39-Y341 WeakPolarHBondContact CA-O 3.21Å; S41-Y341 PolarHBondContact OG-OH 3.06Å; R55-Y341 HydrophobicContact CB-CD2 3.47Å; R55-Y341 VanDerWaalsContact CB-CD2 3.47Å; R55-Y341 HydrophobicContact CB-CE2 4.02Å; R55-Y341 HydrophobicContact CB-CG 4.1Å; A57-Y341 WeakPolarHBondContact CB-OH 3.49Å; A57-Y341 PolarHBondContact N-OH 2.9Å; T93-Y341 HydrophobicContact CG2-CD1 3.72Å; T93-Y341 HydrophobicContact CG2-CE1 3.86Å; T93-Y341 HydrophobicContact CG2-CG 4.43Å; T337-Y341 PolarHBondContact O-N 3.47Å; V338-Y341 CarbonylContact O-C 3.02Å; V338-Y341 WeakPolarHBondContact O-CA 3.42Å; V338-Y341 WeakPolarHBondContact O-CB 3.38Å; V338-Y341 PolarHBondContact O-N 3.2Å; L339-Y341 VanDerWaalsContact C-N 3.26Å; L339-Y341 PolarHBondContact O-N 3.28Å; Y341-K344 WeakPolarHBondContact O-CB 3.2Å; Y341-K344 PolarHBondContact O-N 2.74Å; Y341-G345 PolarHBondContact O-N 3.15Å
342	E	92.4	Very high	86.4	Confident	56 Å²	56	62.8 Å²	62.8	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.6	-74.4	166.7	176.2	0	0	112.4	A36 V338 L339 K344 G345 K346	A36-E342 HydrophobicContact CB-CB 4.1Å; A36-E342 HydrophobicContact CB-CG 4.3Å; A36-E342 WeakPolarHBondContact O-CA 3.29Å; V338-E342 HydrophobicContact CG1-CG 4.28Å; V338-E342 VanDerWaalsContact CG1-OE1 3.29Å; V338-E342 WeakPolarHBondContact CG1-OE1 3.29Å; V338-E342 WeakPolarHBondContact O-CG 3.3Å; V338-E342 PolarHBondContact O-N 3.47Å; L339-E342 PolarHBondContact O-N 3.34Å; E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 PolarHBondContact O-N 2.97Å; E342-G345 WeakPolarHBondContact O-CA 3.45Å; E342-G345 PolarHBondContact O-N 2.77Å; E342-K346 PolarHBondContact O-N 3.19Å
343	N	90.9	Very high	84.6	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-34.5	176.3	-72.7	-25.2	0	0	0	112.1	L339 G345 K346 I347	L339-N343 WeakPolarHBondContact O-CB 3.49Å; L339-N343 PolarHBondContact O-N 3.47Å; L339-N343 PolarHBondContact O-ND2 3.08Å; N343-G345 VanDerWaalsContact C-N 3.28Å; N343-G345 PolarHBondContact O-N 2.67Å; N343-K346 PolarHBondContact O-N 3.26Å; N343-I347 WeakPolarHBondContact O-CB 3.49Å; N343-I347 WeakPolarHBondContact O-CD1 3.45Å; N343-I347 WeakPolarHBondContact O-CG1 3.5Å; N343-I347 PolarHBondContact O-N 3.13Å
344	K	89.8	Confident	82.6	Confident	114 Å²	114	68.9 Å²	68.9	50%	0.496	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-38.5	172	176.1	-180	167.6	-92.6	0	111.7	G39 G40 A340 Y341 E342 A348	G39-K344 PolarHBondContact O-NZ 3.4Å; G40-K344 PolarHBondContact O-NZ 2.84Å; G40-K344 VanDerWaalsContact O-NZ 3.09Å; A340-K344 PolarHBondContact O-N 3.49Å; Y341-K344 WeakPolarHBondContact O-CB 3.2Å; Y341-K344 PolarHBondContact O-N 2.74Å; E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 PolarHBondContact O-N 2.97Å; K344-A348 WeakPolarHBondContact O-CB 3.46Å; K344-A348 PolarHBondContact O-N 3.39Å; K344-A348 VanDerWaalsContact O-N 3.13Å
345	G	85.4	Confident	81.2	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-52.3	174.8	0	0	0	0	0	112.7	C35 Y341 E342 N343 I347 A348 Q349	C35-G345 VanDerWaalsContact O-CA 3.25Å; C35-G345 WeakPolarHBondContact O-CA 3.03Å; Y341-G345 PolarHBondContact O-N 3.15Å; E342-G345 WeakPolarHBondContact O-CA 3.45Å; E342-G345 PolarHBondContact O-N 2.77Å; N343-G345 VanDerWaalsContact C-N 3.28Å; N343-G345 PolarHBondContact O-N 2.67Å; G345-I347 VanDerWaalsContact C-N 3.3Å; G345-I347 PolarHBondContact O-N 3.27Å; G345-A348 PolarHBondContact O-N 2.9Å; G345-A348 VanDerWaalsContact O-N 3.12Å; G345-Q349 PolarHBondContact O-N 3.46Å; G345-Q349 VanDerWaalsContact O-N 3.1Å
346	K	84.3	Confident	79.8	Confident	99 Å²	99	64.6 Å²	64.6	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-56.9	-40.9	177.3	-63.8	-177.3	179.4	-173.2	0	112.6	A36 E342 N343 A350	A36-K346 HydrophobicContact CB-CD 4.3Å; A36-K346 VanDerWaalsContact CB-CE 3.43Å; A36-K346 HydrophobicContact CB-CG 3.91Å; E342-K346 PolarHBondContact O-N 3.19Å; N343-K346 PolarHBondContact O-N 3.26Å; K346-A350 VanDerWaalsContact O-CB 3.32Å; K346-A350 WeakPolarHBondContact O-CB 3.5Å; K346-A350 PolarHBondContact O-N 3.21Å
347	I	84.9	Confident	78.4	Confident	114 Å²	114	68.6 Å²	68.6	59%	0.585	38%	0.38	S	S	*	.	H	α-helix	trans	-66.2	-42.1	176.9	-68.9	164.1	0	0	0	111.6	N343 G345 A350 T351	N343-I347 WeakPolarHBondContact O-CB 3.49Å; N343-I347 WeakPolarHBondContact O-CD1 3.45Å; N343-I347 WeakPolarHBondContact O-CG1 3.5Å; N343-I347 PolarHBondContact O-N 3.13Å; G345-I347 VanDerWaalsContact C-N 3.3Å; G345-I347 PolarHBondContact O-N 3.27Å; I347-A350 PolarHBondContact O-N 2.85Å; I347-T351 PolarHBondContact O-N 3.29Å; I347-T351 PolarHBondContact O-OG1 3.47Å
348	A	79.3	Confident	77.1	Confident	47 Å²	47	69.4 Å²	69.4	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-41.2	-179.7	0	0	0	0	0	112.1	K344 G345 T351	K344-A348 WeakPolarHBondContact O-CB 3.46Å; K344-A348 PolarHBondContact O-N 3.39Å; K344-A348 VanDerWaalsContact O-N 3.13Å; G345-A348 PolarHBondContact O-N 2.9Å; G345-A348 VanDerWaalsContact O-N 3.12Å; A348-T351 PolarHBondContact O-N 3.35Å; A348-T351 PolarHBondContact O-OG1 2.88Å
349	Q	72.6	Confident	76.1	Confident	19 Å²	19	73 Å²	73	9%	0.089	40%	0.401	C	S	.	.	H	α-helix	trans	-67	-43.2	174.2	-169.7	-170	7.6	0	0	111.6	N32 C35 G345 T351 D352 R353	N32-Q349 VanDerWaalsContact CA-OE1 3.29Å; N32-Q349 PolarHBondContact OD1-OE1 3.47Å; N32-Q349 VanDerWaalsContact OD1-OE1 3.11Å; C35-Q349 HydrophobicContact CB-CB 4.06Å; C35-Q349 HydrophobicContact CB-CG 4.34Å; C35-Q349 VanDerWaalsContact SG-CD 3.57Å; G345-Q349 PolarHBondContact O-N 3.46Å; G345-Q349 VanDerWaalsContact O-N 3.1Å; Q349-T351 PolarHBondContact O-N 2.88Å; Q349-T351 VanDerWaalsContact O-N 3.12Å; Q349-D352 PolarHBondContact O-N 3.03Å; Q349-R353 HydrophobicContact CG-CG 4.25Å; Q349-R353 WeakPolarHBondContact O-CG 3.12Å; Q349-R353 PolarHBondContact O-N 2.95Å
350	A	70.3	Confident	75.2	Confident	59 Å²	59	73.8 Å²	73.8	49%	0.488	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-23.3	177.4	0	0	0	0	0	113.8	K346 I347	K346-A350 VanDerWaalsContact O-CB 3.32Å; K346-A350 WeakPolarHBondContact O-CB 3.5Å; K346-A350 PolarHBondContact O-N 3.21Å; I347-A350 PolarHBondContact O-N 2.85Å
351	T	64.6	Low	73.9	Confident	119 Å²	119	72.7 Å²	72.7	73%	0.73	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15	172.4	47.6	0	0	0	0	115	I347 A348 Q349	I347-T351 PolarHBondContact O-N 3.29Å; I347-T351 PolarHBondContact O-OG1 3.47Å; A348-T351 PolarHBondContact O-N 3.35Å; A348-T351 PolarHBondContact O-OG1 2.88Å; Q349-T351 PolarHBondContact O-N 2.88Å; Q349-T351 VanDerWaalsContact O-N 3.12Å
352	D	63.5	Low	72.8	Confident	151 Å²	151	76.7 Å²	76.7	81%	0.807	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-14.4	176.5	-125.8	3.9	0	0	0	112.1	Q349 S354	Q349-D352 PolarHBondContact O-N 3.03Å; D352-S354 PolarHBondContact O-N 2.85Å
353	R	57.6	Low	72.1	Confident	117 Å²	117	78.7 Å²	78.7	44%	0.442	45%	0.448	S	S	.	.			trans	-74.6	82.3	-178.2	-80.9	175.6	68.7	-156.3	-4.1	113.4	E28 Q349	E28-R353 IonicContact OE1-CZ 3.38Å; E28-R353 IonicContact OE1-NE 2.59Å; E28-R353 PolarHBondContact OE1-NE 3.31Å; E28-R353 IonicContact OE1-NH2 2.69Å; E28-R353 PolarHBondContact OE1-NH2 3.29Å; E28-R353 IonicContact OE2-CZ 2.66Å; E28-R353 IonicContact OE2-NH2 3.39Å; E28-R353 PolarHBondContact OE2-NH2 2.85Å; Q349-R353 HydrophobicContact CG-CG 4.25Å; Q349-R353 WeakPolarHBondContact O-CG 3.12Å; Q349-R353 PolarHBondContact O-N 2.95Å
354	S	54.3	Low	71.4	Confident	92 Å²	92	78.5 Å²	78.5	64%	0.643	45%	0.445	S	S	*	.			trans	-119	91.1	139	77.5	0	0	0	0	108.5	D352 P356	D352-S354 PolarHBondContact O-N 2.85Å; S354-P356 WeakPolarHBondContact O-CD 3.41Å
355	D	62.9	Low	71	Confident	69 Å²	69	77 Å²	77	37%	0.369	44%	0.443	S	S	.	.			trans	-76.4	108.6	171.8	178.5	12.9	0	0	0	109.3	L357 M358 D359	D355-L357 PolarHBondContact O-N 2.95Å; D355-L357 VanDerWaalsContact OD1-CB 3.27Å; D355-L357 WeakPolarHBondContact OD1-CB 3.38Å; D355-L357 PolarHBondContact OD1-N 2.92Å; D355-M358 PolarHBondContact O-N 3.17Å; D355-M358 WeakPolarHBondContact OD2-CG 3.41Å; D355-M358 PolarHBondContact OD2-N 2.88Å; D355-D359 PolarHBondContact O-N 3.24Å
356	P	63.6	Low	70.2	Confident	88 Å²	88	86.8 Å²	86.8	57%	0.571	48%	0.48	S	S	*	.	H	α-helix	trans	-68.8	-16.9	-178.3	-13.3	31.4	0	0	0	112	S354 T360	S354-P356 WeakPolarHBondContact O-CD 3.41Å; P356-T360 WeakPolarHBondContact O-CB 3.33Å; P356-T360 PolarHBondContact O-N 3.38Å; P356-T360 VanDerWaalsContact O-N 3.07Å; P356-T360 PolarHBondContact O-OG1 2.8Å
357	L	65.7	Low	69.9	Low	88 Å²	88	86.6 Å²	86.6	46%	0.461	49%	0.486	S	S	.	.	H	α-helix	trans	-72.4	-48.4	178.3	-176.7	61.1	0	0	0	111.1	L24 D355 D359 T360 L361	L24-L357 HydrophobicContact CD1-CD2 4.23Å; L24-L357 HydrophobicContact CD1-CG 4.48Å; L24-L357 HydrophobicContact CD2-CD2 4.29Å; D355-L357 PolarHBondContact O-N 2.95Å; D355-L357 VanDerWaalsContact OD1-CB 3.27Å; D355-L357 WeakPolarHBondContact OD1-CB 3.38Å; D355-L357 PolarHBondContact OD1-N 2.92Å; L357-D359 PolarHBondContact O-N 3.38Å; L357-T360 WeakPolarHBondContact O-CB 3.4Å; L357-T360 PolarHBondContact O-N 3.47Å; L357-T360 VanDerWaalsContact O-N 3.17Å; L357-L361 HydrophobicContact CD1-CD1 4.33Å; L357-L361 HydrophobicContact CD1-CG 4.38Å; L357-L361 HydrophobicContact CG-CD1 4.08Å; L357-L361 VanDerWaalsContact O-CG 3.3Å; L357-L361 WeakPolarHBondContact O-CG 3.24Å; L357-L361 PolarHBondContact O-N 3.07Å
358	M	67	Low	69.4	Low	32 Å²	32	85.5 Å²	85.5	16%	0.158	48%	0.479	C	S	.	.	H	α-helix	trans	-64.7	-38.4	177.9	-73.6	-62.8	-90.4	0	0	112.9	L24 E25 D355 L361 S362	L24-M358 HydrophobicContact CB-CE 4.09Å; L24-M358 HydrophobicContact CB-SD 3.55Å; L24-M358 VanDerWaalsContact CB-SD 3.55Å; L24-M358 HydrophobicContact CD1-SD 3.7Å; L24-M358 HydrophobicContact CG-SD 4.24Å; E25-M358 HydrophobicContact CG-CE 4.14Å; D355-M358 PolarHBondContact O-N 3.17Å; D355-M358 WeakPolarHBondContact OD2-CG 3.41Å; D355-M358 PolarHBondContact OD2-N 2.88Å; M358-L361 PolarHBondContact O-N 3.06Å; M358-L361 HydrophobicContact SD-CD1 4.23Å; M358-S362 VanDerWaalsContact O-CB 3.29Å; M358-S362 WeakPolarHBondContact O-CB 3.49Å; M358-S362 PolarHBondContact O-N 3.49Å; M358-S362 PolarHBondContact O-OG 2.93Å
359	D	70.4	Confident	69	Low	112 Å²	112	85.4 Å²	85.4	60%	0.599	47%	0.471	S	S	*	.	H	α-helix	trans	-61.3	-44.7	170.9	-80.9	-19.7	0	0	0	111.3	D355 L357 S362 S363	D355-D359 PolarHBondContact O-N 3.24Å; L357-D359 PolarHBondContact O-N 3.38Å; D359-S362 PolarHBondContact O-N 2.81Å; D359-S363 PolarHBondContact O-N 3.24Å
360	T	72.8	Confident	68.9	Low	66 Å²	66	88 Å²	88	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-46.6	178.3	-64.7	0	0	0	0	111.5	P356 L357 S363 M364	P356-T360 WeakPolarHBondContact O-CB 3.33Å; P356-T360 PolarHBondContact O-N 3.38Å; P356-T360 VanDerWaalsContact O-N 3.07Å; P356-T360 PolarHBondContact O-OG1 2.8Å; L357-T360 WeakPolarHBondContact O-CB 3.4Å; L357-T360 PolarHBondContact O-N 3.47Å; L357-T360 VanDerWaalsContact O-N 3.17Å; T360-S363 PolarHBondContact O-N 3.3Å; T360-S363 PolarHBondContact O-OG 2.93Å; T360-M364 HydrophobicContact CG2-CE 3.88Å; T360-M364 WeakPolarHBondContact O-CG 3.47Å; T360-M364 PolarHBondContact O-N 3.02Å
361	L	66.9	Low	69.2	Low	6 Å²	6	90.9 Å²	90.9	3%	0.031	49%	0.491	C	S	.	.	H	α-helix	trans	-63.6	-42.5	178.6	-70.2	170.4	0	0	0	112	L20 L24 L357 M358 S363 M364 Q369 L372	L20-L361 HydrophobicContact CD2-CD1 4.46Å; L20-L361 HydrophobicContact CD2-CD2 4.34Å; L24-L361 HydrophobicContact CD1-CD1 3.21Å; L357-L361 HydrophobicContact CD1-CD1 4.33Å; L357-L361 HydrophobicContact CD1-CG 4.38Å; L357-L361 HydrophobicContact CG-CD1 4.08Å; L357-L361 VanDerWaalsContact O-CG 3.3Å; L357-L361 WeakPolarHBondContact O-CG 3.24Å; L357-L361 PolarHBondContact O-N 3.07Å; M358-L361 PolarHBondContact O-N 3.06Å; M358-L361 HydrophobicContact SD-CD1 4.23Å; L361-S363 PolarHBondContact O-N 3.01Å; L361-M364 HydrophobicContact CD2-SD 4.35Å; L361-M364 WeakPolarHBondContact O-CB 3.22Å; L361-M364 PolarHBondContact O-N 3.46Å; L361-M364 VanDerWaalsContact O-N 3.13Å; L361-Q369 PolarHBondContact O-NE2 2.73Å; L361-L372 HydrophobicContact CD2-CD2 3.39Å
362	S	69.6	Low	69.6	Low	94 Å²	94	88.5 Å²	88.5	66%	0.657	47%	0.473	S	S	*	.	H	α-helix	trans	-62.7	-29.2	175.3	-61.9	0	0	0	0	112.8	M358 D359	M358-S362 VanDerWaalsContact O-CB 3.29Å; M358-S362 WeakPolarHBondContact O-CB 3.49Å; M358-S362 PolarHBondContact O-N 3.49Å; M358-S362 PolarHBondContact O-OG 2.93Å; D359-S362 PolarHBondContact O-N 2.81Å
363	S	76.8	Confident	70	Confident	98 Å²	98	82.3 Å²	82.3	69%	0.685	44%	0.44	S	S	*	.	H	α-helix	trans	-80.3	-16.4	174.8	80.8	0	0	0	0	114.9	D359 T360 L361	D359-S363 PolarHBondContact O-N 3.24Å; T360-S363 PolarHBondContact O-N 3.3Å; T360-S363 PolarHBondContact O-OG 2.93Å; L361-S363 PolarHBondContact O-N 3.01Å
364	M	77.4	Confident	70.7	Confident	63 Å²	63	80 Å²	80	31%	0.31	44%	0.441	S	S	.	.	S	Bend	trans	-76	152.4	178.8	-73.2	180	177.6	0	0	111.8	T360 L361 Q368 Q369 L372	T360-M364 HydrophobicContact CG2-CE 3.88Å; T360-M364 WeakPolarHBondContact O-CG 3.47Å; T360-M364 PolarHBondContact O-N 3.02Å; L361-M364 HydrophobicContact CD2-SD 4.35Å; L361-M364 WeakPolarHBondContact O-CB 3.22Å; L361-M364 PolarHBondContact O-N 3.46Å; L361-M364 VanDerWaalsContact O-N 3.13Å; M364-Q368 HydrophobicContact CB-CB 4.26Å; M364-Q369 HydrophobicContact CB-CG 4.01Å; M364-Q369 PolarHBondContact O-NE2 2.88Å; M364-L372 HydrophobicContact SD-CD2 4.28Å
365	N	80.4	Confident	71.9	Confident	84 Å²	84	78.8 Å²	78.8	45%	0.449	43%	0.425	S	S	.	.			trans	-76.9	156.3	173.9	78.1	59.4	0	0	0	111.3	V367 Q368 Q369	N365-V367 PolarHBondContact O-N 2.94Å; N365-V367 VanDerWaalsContact O-N 3.07Å; N365-V367 WeakPolarHBondContact OD1-CA 3.43Å; N365-V367 WeakPolarHBondContact OD1-CB 3.17Å; N365-V367 PolarHBondContact OD1-N 3.4Å; N365-Q368 VanDerWaalsContact ND2-CD 3.27Å; N365-Q368 PolarHBondContact ND2-OE1 3.39Å; N365-Q368 WeakPolarHBondContact O-CB 3.24Å; N365-Q368 PolarHBondContact O-N 3.39Å; N365-Q368 PolarHBondContact OD1-N 2.77Å; N365-Q368 VanDerWaalsContact OD1-N 3.1Å; N365-Q369 PolarHBondContact O-N 3.35Å
366	R	69.3	Low	72.6	Confident	206 Å²	206	79.3 Å²	79.3	78%	0.777	42%	0.422	S	S	*	.	H	α-helix	trans	-57.7	-26.7	-175.1	-172.5	169	179.1	148.9	3	114.6	V370	R366-V370 WeakPolarHBondContact O-CB 3.26Å; R366-V370 VanDerWaalsContact O-CG2 3.26Å; R366-V370 WeakPolarHBondContact O-CG2 3.42Å; R366-V370 PolarHBondContact O-N 3.11Å; R366-V370 VanDerWaalsContact O-N 3.09Å
367	V	78.3	Confident	73.1	Confident	94 Å²	94	77 Å²	77	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-72.5	-46.2	175.3	-176.9	0	0	0	0	110.1	N365 Q369 V370 E371	N365-V367 PolarHBondContact O-N 2.94Å; N365-V367 VanDerWaalsContact O-N 3.07Å; N365-V367 WeakPolarHBondContact OD1-CA 3.43Å; N365-V367 WeakPolarHBondContact OD1-CB 3.17Å; N365-V367 PolarHBondContact OD1-N 3.4Å; V367-Q369 VanDerWaalsContact C-N 3.34Å; V367-Q369 PolarHBondContact O-N 3.21Å; V367-V370 PolarHBondContact O-N 3Å; V367-E371 WeakPolarHBondContact O-CG 3.43Å; V367-E371 PolarHBondContact O-N 3.34Å
368	Q	74.2	Confident	73.9	Confident	92 Å²	92	75.5 Å²	75.5	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-40.3	175.7	-67.6	173.1	-49.5	0	0	112.3	M364 N365 E371 L372	M364-Q368 HydrophobicContact CB-CB 4.26Å; N365-Q368 VanDerWaalsContact ND2-CD 3.27Å; N365-Q368 PolarHBondContact ND2-OE1 3.39Å; N365-Q368 WeakPolarHBondContact O-CB 3.24Å; N365-Q368 PolarHBondContact O-N 3.39Å; N365-Q368 PolarHBondContact OD1-N 2.77Å; N365-Q368 VanDerWaalsContact OD1-N 3.1Å; Q368-E371 PolarHBondContact O-N 2.94Å; Q368-L372 VanDerWaalsContact O-CB 3.29Å; Q368-L372 WeakPolarHBondContact O-CB 3.28Å; Q368-L372 PolarHBondContact O-N 3.14Å
369	Q	71.1	Confident	74.7	Confident	45 Å²	45	76.3 Å²	76.3	21%	0.21	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-52	172.8	-69.8	173.2	-12	0	0	110.5	L361 M364 N365 V367 E371 L372 I373	L361-Q369 PolarHBondContact O-NE2 2.73Å; M364-Q369 HydrophobicContact CB-CG 4.01Å; M364-Q369 PolarHBondContact O-NE2 2.88Å; N365-Q369 PolarHBondContact O-N 3.35Å; V367-Q369 VanDerWaalsContact C-N 3.34Å; V367-Q369 PolarHBondContact O-N 3.21Å; Q369-E371 PolarHBondContact O-N 2.63Å; Q369-L372 PolarHBondContact O-N 2.89Å; Q369-I373 WeakPolarHBondContact O-CB 3.45Å; Q369-I373 WeakPolarHBondContact O-CD1 3.31Å; Q369-I373 WeakPolarHBondContact O-CG1 3.47Å; Q369-I373 PolarHBondContact O-N 3.19Å
370	V	69.8	Low	75.2	Confident	72 Å²	72	75.8 Å²	75.8	44%	0.436	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-42.3	179.4	170	0	0	0	0	112.4	R366 V367 L372 I373 C374	R366-V370 WeakPolarHBondContact O-CB 3.26Å; R366-V370 VanDerWaalsContact O-CG2 3.26Å; R366-V370 WeakPolarHBondContact O-CG2 3.42Å; R366-V370 PolarHBondContact O-N 3.11Å; R366-V370 VanDerWaalsContact O-N 3.09Å; V367-V370 PolarHBondContact O-N 3Å; V370-L372 PolarHBondContact O-N 3.41Å; V370-I373 PolarHBondContact O-N 3.15Å; V370-C374 PolarHBondContact O-N 3.13Å; V370-C374 PolarHBondContact O-SG 2.98Å; V370-C374 VanDerWaalsContact O-SG 3.34Å
371	E	77	Confident	75.6	Confident	120 Å²	120	76.5 Å²	76.5	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-59.9	-45.2	174.7	-75.2	177.7	177.4	0	0	111.6	V367 Q368 Q369 C374 E375	V367-E371 WeakPolarHBondContact O-CG 3.43Å; V367-E371 PolarHBondContact O-N 3.34Å; Q368-E371 PolarHBondContact O-N 2.94Å; Q369-E371 PolarHBondContact O-N 2.63Å; E371-C374 PolarHBondContact O-N 3.48Å; E371-E375 WeakPolarHBondContact O-CB 3.34Å; E371-E375 WeakPolarHBondContact O-CG 3.41Å; E371-E375 PolarHBondContact O-N 3.41Å
372	L	73.6	Confident	76.5	Confident	70 Å²	70	78.8 Å²	78.8	37%	0.366	41%	0.41	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177.7	-173.9	66.4	0	0	0	112.2	L20 L361 M364 Q368 Q369 V370 E375 Y376	L20-L372 HydrophobicContact CD2-CD2 4.07Å; L20-L372 HydrophobicContact CD2-CG 4.11Å; L361-L372 HydrophobicContact CD2-CD2 3.39Å; M364-L372 HydrophobicContact SD-CD2 4.28Å; Q368-L372 VanDerWaalsContact O-CB 3.29Å; Q368-L372 WeakPolarHBondContact O-CB 3.28Å; Q368-L372 PolarHBondContact O-N 3.14Å; Q369-L372 PolarHBondContact O-N 2.89Å; V370-L372 PolarHBondContact O-N 3.41Å; L372-E375 PolarHBondContact O-N 2.89Å; L372-Y376 VanDerWaalsContact O-CB 3.27Å; L372-Y376 WeakPolarHBondContact O-CB 3.4Å; L372-Y376 PolarHBondContact O-N 2.78Å
373	I	70.9	Confident	77.2	Confident	21 Å²	21	76.6 Å²	76.6	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-49.1	175	-68.2	163.5	0	0	0	110.7	L20 Q369 V370 E375 Y376 N377	L20-I373 HydrophobicContact CB-CB 4.44Å; L20-I373 HydrophobicContact CB-CG1 3.55Å; Q369-I373 WeakPolarHBondContact O-CB 3.45Å; Q369-I373 WeakPolarHBondContact O-CD1 3.31Å; Q369-I373 WeakPolarHBondContact O-CG1 3.47Å; Q369-I373 PolarHBondContact O-N 3.19Å; V370-I373 PolarHBondContact O-N 3.15Å; I373-E375 VanDerWaalsContact C-N 3.35Å; I373-E375 PolarHBondContact O-N 3.39Å; I373-Y376 PolarHBondContact O-N 2.62Å; I373-N377 WeakPolarHBondContact O-CB 3.35Å; I373-N377 PolarHBondContact O-N 3.33Å
374	C	73	Confident	77.4	Confident	69 Å²	69	79.2 Å²	79.2	47%	0.466	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-44.9	177.8	-71.1	0	0	0	0	111.3	V370 E371 N377 D378	V370-C374 PolarHBondContact O-N 3.13Å; V370-C374 PolarHBondContact O-SG 2.98Å; V370-C374 VanDerWaalsContact O-SG 3.34Å; E371-C374 PolarHBondContact O-N 3.48Å; C374-N377 PolarHBondContact O-N 2.87Å; C374-D378 WeakPolarHBondContact O-CB 3.44Å; C374-D378 PolarHBondContact O-N 3.22Å
375	E	79.9	Confident	77.7	Confident	66 Å²	66	80.6 Å²	80.6	31%	0.308	40%	0.398	S	S	.	.	H	α-helix	trans	-67.5	-35.4	178.8	-71.3	-77.6	-172.8	0	0	113.1	E371 L372 I373 L379 K413	E371-E375 WeakPolarHBondContact O-CB 3.34Å; E371-E375 WeakPolarHBondContact O-CG 3.41Å; E371-E375 PolarHBondContact O-N 3.41Å; L372-E375 PolarHBondContact O-N 2.89Å; I373-E375 VanDerWaalsContact C-N 3.35Å; I373-E375 PolarHBondContact O-N 3.39Å; E375-L379 VanDerWaalsContact O-CB 3.32Å; E375-L379 WeakPolarHBondContact O-CB 3.4Å; E375-L379 PolarHBondContact O-N 2.94Å; E375-K413 VanDerWaalsContact CD-CE 3.43Å; E375-K413 WeakPolarHBondContact OE1-CE 3.17Å; E375-K413 IonicContact OE1-NZ 2.87Å; E375-K413 PolarHBondContact OE1-NZ 3.08Å; E375-K413 WeakPolarHBondContact OE2-CD 3.29Å; E375-K413 WeakPolarHBondContact OE2-CE 3.44Å; E375-K413 IonicContact OE2-NZ 2.92Å; E375-K413 PolarHBondContact OE2-NZ 2.94Å
376	Y	77	Confident	78	Confident	79 Å²	79	77.7 Å²	77.7	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-67.9	-45.6	173	175.7	-94.7	0	0	0	111.8	L20 L372 I373 L379 K380	L20-Y376 HydrophobicContact CD1-CD1 3.84Å; L20-Y376 HydrophobicContact CD1-CD2 4.12Å; L20-Y376 HydrophobicContact CD1-CE1 3.9Å; L20-Y376 HydrophobicContact CD1-CE2 4.17Å; L20-Y376 HydrophobicContact CD1-CG 3.96Å; L372-Y376 VanDerWaalsContact O-CB 3.27Å; L372-Y376 WeakPolarHBondContact O-CB 3.4Å; L372-Y376 PolarHBondContact O-N 2.78Å; I373-Y376 PolarHBondContact O-N 2.62Å; Y376-L379 WeakPolarHBondContact O-CB 3.09Å; Y376-L379 PolarHBondContact O-N 3.09Å; Y376-K380 HydrophobicContact CE1-CD 3.84Å; Y376-K380 VanDerWaalsContact O-CB 3.29Å; Y376-K380 WeakPolarHBondContact O-CB 3.46Å; Y376-K380 PolarHBondContact O-N 3.25Å
377	N	75.2	Confident	78.7	Confident	39 Å²	39	70.8 Å²	70.8	21%	0.209	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-37	178.7	-78.1	-25.4	0	0	0	112	V18 I373 C374 K380 T381	V18-N377 PolarHBondContact O-ND2 3.49Å; V18-N377 VanDerWaalsContact O-ND2 3.14Å; I373-N377 WeakPolarHBondContact O-CB 3.35Å; I373-N377 PolarHBondContact O-N 3.33Å; C374-N377 PolarHBondContact O-N 2.87Å; N377-K380 PolarHBondContact O-N 3.44Å; N377-T381 VanDerWaalsContact O-CB 3.31Å; N377-T381 WeakPolarHBondContact O-CB 3.36Å; N377-T381 PolarHBondContact O-N 3.49Å; N377-T381 PolarHBondContact O-OG1 3.49Å
378	D	82.1	Confident	78.8	Confident	58 Å²	58	72 Å²	72	31%	0.31	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-46.5	169.6	-95.4	31	0	0	0	111.5	C374 E382 F409 R416	C374-D378 WeakPolarHBondContact O-CB 3.44Å; C374-D378 PolarHBondContact O-N 3.22Å; D378-E382 WeakPolarHBondContact O-CB 3.45Å; D378-E382 WeakPolarHBondContact O-CG 3.35Å; D378-E382 PolarHBondContact O-N 3.22Å; D378-F409 HydrophobicContact CB-CZ 4.45Å; D378-R416 IonicContact OD2-CZ 2.85Å; D378-R416 IonicContact OD2-NH1 2.7Å; D378-R416 PolarHBondContact OD2-NH1 3.03Å; D378-R416 IonicContact OD2-NH2 3.44Å
379	L	83.9	Confident	79.2	Confident	48 Å²	48	74.9 Å²	74.9	25%	0.251	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-48.1	177	176.7	64.3	0	0	0	111.9	E375 Y376 T381 L383 F405 F406 F409	E375-L379 VanDerWaalsContact O-CB 3.32Å; E375-L379 WeakPolarHBondContact O-CB 3.4Å; E375-L379 PolarHBondContact O-N 2.94Å; Y376-L379 WeakPolarHBondContact O-CB 3.09Å; Y376-L379 PolarHBondContact O-N 3.09Å; L379-T381 VanDerWaalsContact C-N 3.32Å; L379-T381 PolarHBondContact O-N 2.88Å; L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 PolarHBondContact O-N 2.84Å; L379-F405 HydrophobicContact CD1-CE1 3.73Å; L379-F405 HydrophobicContact CD1-CZ 3.99Å; L379-F406 HydrophobicContact CD1-CD1 4.49Å; L379-F406 HydrophobicContact CD1-CE1 3.82Å; L379-F409 HydrophobicContact CB-CE1 4.2Å; L379-F409 HydrophobicContact CB-CE2 4.38Å; L379-F409 HydrophobicContact CB-CZ 3.77Å; L379-F409 HydrophobicContact CD1-CD1 4.07Å; L379-F409 HydrophobicContact CD1-CD2 4.49Å; L379-F409 HydrophobicContact CD1-CE1 3.88Å; L379-F409 HydrophobicContact CD1-CE2 4.32Å; L379-F409 HydrophobicContact CD1-CG 4.38Å; L379-F409 HydrophobicContact CD1-CZ 4.02Å
380	K	79.6	Confident	79.8	Confident	101 Å²	101	74.1 Å²	74.1	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-58.7	-43.5	179.1	-177.3	173	-179.8	172.3	0	111.1	Y376 N377 K384	Y376-K380 HydrophobicContact CE1-CD 3.84Å; Y376-K380 VanDerWaalsContact O-CB 3.29Å; Y376-K380 WeakPolarHBondContact O-CB 3.46Å; Y376-K380 PolarHBondContact O-N 3.25Å; N377-K380 PolarHBondContact O-N 3.44Å; K380-K384 WeakPolarHBondContact O-CB 3.38Å; K380-K384 PolarHBondContact O-N 2.94Å
381	T	81.1	Confident	80.1	Confident	81 Å²	81	74.4 Å²	74.4	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-69.4	-53.2	179.9	-54.3	0	0	0	0	111.6	N377 L379 L383 K384 D385	N377-T381 VanDerWaalsContact O-CB 3.31Å; N377-T381 WeakPolarHBondContact O-CB 3.36Å; N377-T381 PolarHBondContact O-N 3.49Å; N377-T381 PolarHBondContact O-OG1 3.49Å; L379-T381 VanDerWaalsContact C-N 3.32Å; L379-T381 PolarHBondContact O-N 2.88Å; T381-L383 VanDerWaalsContact C-N 3.31Å; T381-L383 PolarHBondContact O-N 3.47Å; T381-K384 PolarHBondContact O-N 3Å; T381-D385 PolarHBondContact O-N 3.1Å
382	E	86.7	Confident	80.2	Confident	54 Å²	54	74.4 Å²	74.4	25%	0.252	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-37.3	179.6	-77.9	-96.7	-170.3	0	0	111.9	D378 Y386 F405 F409 K412	D378-E382 WeakPolarHBondContact O-CB 3.45Å; D378-E382 WeakPolarHBondContact O-CG 3.35Å; D378-E382 PolarHBondContact O-N 3.22Å; E382-Y386 VanDerWaalsContact O-CB 3.27Å; E382-Y386 WeakPolarHBondContact O-CB 3.43Å; E382-Y386 PolarHBondContact O-N 3.07Å; E382-F405 HydrophobicContact CB-CE2 3.99Å; E382-F405 HydrophobicContact CB-CZ 4.13Å; E382-F405 WeakPolarHBondContact O-CE2 3.31Å; E382-F409 HydrophobicContact CB-CD2 4Å; E382-F409 HydrophobicContact CB-CE2 3.97Å; E382-F409 HydrophobicContact CG-CD2 4.29Å; E382-F409 HydrophobicContact CG-CE2 4.1Å; E382-K412 IonicContact OE1-NZ 3.94Å; E382-K412 PolarHBondContact OE1-NZ 3.41Å; E382-K412 IonicContact OE2-NZ 2.73Å; E382-K412 PolarHBondContact OE2-NZ 3.29Å
383	L	84	Confident	80.5	Confident	48 Å²	48	77.8 Å²	77.8	25%	0.251	39%	0.388	S	S	.	.	H	α-helix	trans	-68.3	-42.9	176	-178.9	60.8	0	0	0	111.8	L379 T381 Y386 L387 F405	L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 PolarHBondContact O-N 2.84Å; T381-L383 VanDerWaalsContact C-N 3.31Å; T381-L383 PolarHBondContact O-N 3.47Å; L383-Y386 PolarHBondContact O-N 3.4Å; L383-L387 HydrophobicContact CD1-CD1 3.9Å; L383-L387 HydrophobicContact CD1-CG 4.02Å; L383-L387 HydrophobicContact CG-CD1 3.92Å; L383-L387 HydrophobicContact CG-CG 4.41Å; L383-L387 WeakPolarHBondContact O-CB 3.33Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 2.95Å; L383-L387 PolarHBondContact O-N 3.21Å; L383-F405 HydrophobicContact CB-CE1 3.92Å; L383-F405 HydrophobicContact CB-CE2 4.28Å; L383-F405 HydrophobicContact CB-CZ 3.65Å; L383-F405 HydrophobicContact CD1-CD1 3.8Å; L383-F405 HydrophobicContact CD1-CE1 3.76Å; L383-F405 HydrophobicContact CD1-CG 4.22Å; L383-F405 HydrophobicContact CD1-CZ 4.15Å; L383-F405 HydrophobicContact CG-CE1 4.35Å; L383-F405 HydrophobicContact CG-CZ 4.49Å
384	K	81.3	Confident	80.6	Confident	154 Å²	154	80.1 Å²	80.1	67%	0.67	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-45.1	176.4	-176.6	178.7	178.5	-177.1	0	111.3	K380 T381 L387 K388	K380-K384 WeakPolarHBondContact O-CB 3.38Å; K380-K384 PolarHBondContact O-N 2.94Å; T381-K384 PolarHBondContact O-N 3Å; K384-L387 PolarHBondContact O-N 2.85Å; K384-K388 VanDerWaalsContact O-CB 3.29Å; K384-K388 WeakPolarHBondContact O-CB 2.91Å; K384-K388 PolarHBondContact O-N 2.73Å
385	D	82.8	Confident	80.8	Confident	91 Å²	91	79.9 Å²	79.9	49%	0.487	41%	0.413	S	S	.	.	H	α-helix	trans	-68.5	-31.6	176.9	-83.5	-6.2	0	0	0	113.3	T381	T381-D385 PolarHBondContact O-N 3.1Å
386	Y	86.5	Confident	80.8	Confident	24 Å²	24	82.7 Å²	82.7	9%	0.094	44%	0.435	C	S	.	.	H	α-helix	trans	-67.1	-53	172.7	-175.2	-95.2	0	0	0	110.9	E382 L383 K388 R389 F390 D401 F405	E382-Y386 VanDerWaalsContact O-CB 3.27Å; E382-Y386 WeakPolarHBondContact O-CB 3.43Å; E382-Y386 PolarHBondContact O-N 3.07Å; L383-Y386 PolarHBondContact O-N 3.4Å; Y386-K388 VanDerWaalsContact C-N 3.34Å; Y386-K388 PolarHBondContact O-N 2.92Å; Y386-R389 PolarHBondContact O-N 3.05Å; Y386-F390 AromaticContact CD1-CE2 3.83Å; Y386-F390 HydrophobicContact CD1-CE2 3.83Å; Y386-F390 AromaticContact CE1-CE2 3.44Å; Y386-F390 HydrophobicContact CE1-CE2 3.44Å; Y386-F390 VanDerWaalsContact CE1-CE2 3.44Å; Y386-F390 AromaticContact CE1-CZ 3.82Å; Y386-F390 HydrophobicContact CE1-CZ 3.82Å; Y386-F390 AromaticContact CZ-CE2 3.84Å; Y386-F390 AromaticContact CZ-CZ 3.95Å; Y386-F390 WeakPolarHBondContact O-CD2 3.35Å; Y386-D401 HydrophobicContact CE1-CB 4.32Å; Y386-D401 PolarHBondContact OH-O 3.08Å; Y386-D401 VanDerWaalsContact OH-O 3.05Å; Y386-F405 HydrophobicContact CD1-CB 3.97Å; Y386-F405 HydrophobicContact CD1-CD2 4.11Å; Y386-F405 HydrophobicContact CD1-CG 4.26Å; Y386-F405 HydrophobicContact CD2-CB 4.33Å; Y386-F405 AromaticContact CD2-CD2 3.9Å; Y386-F405 HydrophobicContact CD2-CD2 3.9Å; Y386-F405 HydrophobicContact CE1-CB 3.88Å; Y386-F405 HydrophobicContact CE2-CB 4.25Å; Y386-F405 HydrophobicContact CG-CB 4.21Å; Y386-F405 AromaticContact CG-CD2 3.64Å; Y386-F405 HydrophobicContact CG-CD2 3.64Å; Y386-F405 HydrophobicContact CG-CE2 4.47Å; Y386-F405 HydrophobicContact CG-CG 4.23Å
387	L	83.9	Confident	81	Confident	61 Å²	61	81.6 Å²	81.6	32%	0.319	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-32.5	-178.2	-68	174.6	0	0	0	113.2	L383 K384 R389 F390 A391 V397 I402	L383-L387 HydrophobicContact CD1-CD1 3.9Å; L383-L387 HydrophobicContact CD1-CG 4.02Å; L383-L387 HydrophobicContact CG-CD1 3.92Å; L383-L387 HydrophobicContact CG-CG 4.41Å; L383-L387 WeakPolarHBondContact O-CB 3.33Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 2.95Å; L383-L387 PolarHBondContact O-N 3.21Å; K384-L387 PolarHBondContact O-N 2.85Å; L387-R389 PolarHBondContact O-N 3.26Å; L387-F390 PolarHBondContact O-N 3.16Å; L387-F390 VanDerWaalsContact O-N 3.09Å; L387-A391 PolarHBondContact O-N 2.98Å; L387-V397 HydrophobicContact CD2-CG1 3.98Å; L387-V397 HydrophobicContact CD2-CG2 3.97Å; L387-I402 HydrophobicContact CD2-CD1 3.89Å
388	K	81.3	Confident	81.5	Confident	119 Å²	119	86 Å²	86	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-55.8	-35	177.7	-176.9	175.4	177.6	-178.6	0	112.9	K384 Y386 F390 A391 D392	K384-K388 VanDerWaalsContact O-CB 3.29Å; K384-K388 WeakPolarHBondContact O-CB 2.91Å; K384-K388 PolarHBondContact O-N 2.73Å; Y386-K388 VanDerWaalsContact C-N 3.34Å; Y386-K388 PolarHBondContact O-N 2.92Å; K388-F390 VanDerWaalsContact C-N 3.29Å; K388-F390 PolarHBondContact O-N 3.1Å; K388-A391 WeakPolarHBondContact O-CB 3.44Å; K388-A391 PolarHBondContact O-N 3.02Å; K388-A391 VanDerWaalsContact O-N 3.15Å; K388-D392 PolarHBondContact O-N 3.15Å
389	R	83.1	Confident	81.5	Confident	152 Å²	152	92.7 Å²	92.7	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-60.7	-39.4	178.4	-59.4	175	-169.2	-178.4	2.2	112.1	Y386 L387 D392 E393	Y386-R389 PolarHBondContact O-N 3.05Å; L387-R389 PolarHBondContact O-N 3.26Å; R389-D392 PolarHBondContact O-N 3.29Å; R389-E393 VanDerWaalsContact O-CB 3.31Å; R389-E393 WeakPolarHBondContact O-CB 3.29Å; R389-E393 VanDerWaalsContact O-CG 3.27Å; R389-E393 WeakPolarHBondContact O-CG 3.47Å; R389-E393 PolarHBondContact O-N 3.25Å
390	F	83.9	Confident	81.6	Confident	29 Å²	29	96 Å²	96	13%	0.127	49%	0.488	C	S	.	.	H	α-helix	trans	-69.9	-35.8	177.8	-60.9	-99.3	0	0	0	111.6	Y386 L387 K388 G394 T395 V397 D401	Y386-F390 AromaticContact CD1-CE2 3.83Å; Y386-F390 HydrophobicContact CD1-CE2 3.83Å; Y386-F390 AromaticContact CE1-CE2 3.44Å; Y386-F390 HydrophobicContact CE1-CE2 3.44Å; Y386-F390 VanDerWaalsContact CE1-CE2 3.44Å; Y386-F390 AromaticContact CE1-CZ 3.82Å; Y386-F390 HydrophobicContact CE1-CZ 3.82Å; Y386-F390 AromaticContact CZ-CE2 3.84Å; Y386-F390 AromaticContact CZ-CZ 3.95Å; Y386-F390 WeakPolarHBondContact O-CD2 3.35Å; L387-F390 PolarHBondContact O-N 3.16Å; L387-F390 VanDerWaalsContact O-N 3.09Å; K388-F390 VanDerWaalsContact C-N 3.29Å; K388-F390 PolarHBondContact O-N 3.1Å; F390-G394 PolarHBondContact O-N 3.32Å; F390-T395 WeakPolarHBondContact CA-OG1 3.38Å; F390-T395 WeakPolarHBondContact CD1-OG1 3.35Å; F390-T395 PolarHBondContact O-N 3.28Å; F390-T395 PolarHBondContact O-OG1 3.25Å; F390-V397 HydrophobicContact CB-CG2 3.66Å; F390-V397 HydrophobicContact CD1-CG2 3.98Å; F390-V397 HydrophobicContact CD2-CG2 4.21Å; F390-V397 HydrophobicContact CG-CG2 3.7Å; F390-D401 HydrophobicContact CE1-CB 4.08Å; F390-D401 HydrophobicContact CZ-CB 3.82Å
391	A	74.6	Confident	81.8	Confident	78 Å²	78	92.7 Å²	92.7	65%	0.645	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-44.4	172.8	0	0	0	0	0	112.1	L387 K388 G394	L387-A391 PolarHBondContact O-N 2.98Å; K388-A391 WeakPolarHBondContact O-CB 3.44Å; K388-A391 PolarHBondContact O-N 3.02Å; K388-A391 VanDerWaalsContact O-N 3.15Å; A391-G394 PolarHBondContact O-N 2.87Å
392	D	78.9	Confident	82.1	Confident	121 Å²	121	91.6 Å²	91.6	65%	0.647	47%	0.466	S	S	*	.	H	α-helix	trans	-67	-33.9	178.1	-68.4	-21	0	0	0	112.1	K388 R389	K388-D392 PolarHBondContact O-N 3.15Å; R389-D392 PolarHBondContact O-N 3.29Å
393	E	81.3	Confident	82	Confident	141 Å²	141	94.2 Å²	94.2	66%	0.659	48%	0.478	S	S	*	.	H	α-helix	trans	-86.1	-9.7	177.2	-69.5	176.1	-169.6	0	0	114.1	R389 T395	R389-E393 VanDerWaalsContact O-CB 3.31Å; R389-E393 WeakPolarHBondContact O-CB 3.29Å; R389-E393 VanDerWaalsContact O-CG 3.27Å; R389-E393 WeakPolarHBondContact O-CG 3.47Å; R389-E393 PolarHBondContact O-N 3.25Å; E393-T395 VanDerWaalsContact C-N 3.29Å; E393-T395 HydrophobicContact CB-CG2 4.04Å; E393-T395 PolarHBondContact O-N 2.83Å
394	G	71.8	Confident	82.2	Confident	70 Å²	70	96.4 Å²	96.4	72%	0.722	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	25.7	-175.2	0	0	0	0	0	114.1	F390 A391	F390-G394 PolarHBondContact O-N 3.32Å; A391-G394 PolarHBondContact O-N 2.87Å
395	T	78	Confident	82.7	Confident	64 Å²	64	89.4 Å²	89.4	39%	0.393	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-97.5	143.6	-176.1	52.5	0	0	0	0	111.9	F390 E393	F390-T395 WeakPolarHBondContact CA-OG1 3.38Å; F390-T395 WeakPolarHBondContact CD1-OG1 3.35Å; F390-T395 PolarHBondContact O-N 3.28Å; F390-T395 PolarHBondContact O-OG1 3.25Å; E393-T395 VanDerWaalsContact C-N 3.29Å; E393-T395 HydrophobicContact CB-CG2 4.04Å; E393-T395 PolarHBondContact O-N 2.83Å
396	V	79.7	Confident	83.1	Confident	125 Å²	125	89 Å²	89	76%	0.758	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-82.9	119.4	178.8	-179.6	0	0	0	0	109.6
397	V	80.8	Confident	83.2	Confident	56 Å²	56	93.2 Å²	93.2	34%	0.339	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62.6	133	174.7	-177	0	0	0	0	110.6	L387 F390 D401 I402	L387-V397 HydrophobicContact CD2-CG1 3.98Å; L387-V397 HydrophobicContact CD2-CG2 3.97Å; F390-V397 HydrophobicContact CB-CG2 3.66Å; F390-V397 HydrophobicContact CD1-CG2 3.98Å; F390-V397 HydrophobicContact CD2-CG2 4.21Å; F390-V397 HydrophobicContact CG-CG2 3.7Å; V397-D401 HydrophobicContact CG1-CB 4.4Å; V397-I402 HydrophobicContact CG1-CD1 3.8Å; V397-I402 HydrophobicContact CG1-CG1 4.01Å
398	K	85.6	Confident	83.4	Confident	132 Å²	132	94.3 Å²	94.3	57%	0.574	48%	0.475	S	S	*	.			trans	-113.6	172.4	178.6	-54.8	173.4	-172.3	160.3	0	111.3	E400 D401 I402	K398-E400 VanDerWaalsContact C-N 3.26Å; K398-E400 VanDerWaalsContact CB-OE2 3.3Å; K398-E400 WeakPolarHBondContact CB-OE2 3.46Å; K398-E400 PolarHBondContact O-N 2.85Å; K398-D401 WeakPolarHBondContact CA-OD2 3.47Å; K398-D401 WeakPolarHBondContact CB-OD2 3.44Å; K398-D401 PolarHBondContact N-OD2 3.24Å; K398-D401 PolarHBondContact O-N 3.22Å; K398-I402 PolarHBondContact O-N 3.48Å
399	R	82.8	Confident	83.6	Confident	197 Å²	197	89.9 Å²	89.9	74%	0.743	46%	0.456	S	S	*	.	H	α-helix	trans	-59.9	-40.2	176.5	178.4	-177	-67.8	160	-1.1	111.5	D401 I402 Q403	R399-D401 VanDerWaalsContact C-N 3.3Å; R399-D401 PolarHBondContact O-N 3.44Å; R399-I402 PolarHBondContact O-N 3.46Å; R399-Q403 WeakPolarHBondContact O-CB 3.49Å; R399-Q403 PolarHBondContact O-N 3.19Å
400	E	87.1	Confident	83.6	Confident	117 Å²	117	87.4 Å²	87.4	55%	0.547	45%	0.451	S	S	.	.	H	α-helix	trans	-64.3	-37.4	-176.6	-62.6	69.1	-149.6	0	0	111.2	K398 Q403 Q404	K398-E400 VanDerWaalsContact C-N 3.26Å; K398-E400 VanDerWaalsContact CB-OE2 3.3Å; K398-E400 WeakPolarHBondContact CB-OE2 3.46Å; K398-E400 PolarHBondContact O-N 2.85Å; E400-Q403 PolarHBondContact O-N 3.33Å; E400-Q404 WeakPolarHBondContact O-CB 3.42Å; E400-Q404 PolarHBondContact O-N 2.91Å
401	D	83.3	Confident	83.6	Confident	33 Å²	33	88.8 Å²	88.8	18%	0.176	46%	0.464	C	S	.	.	H	α-helix	trans	-66.1	-45.5	178	-50.9	-46.5	0	0	0	110.9	Y386 F390 V397 K398 R399 Q403 Q404 F405	Y386-D401 HydrophobicContact CE1-CB 4.32Å; Y386-D401 PolarHBondContact OH-O 3.08Å; Y386-D401 VanDerWaalsContact OH-O 3.05Å; F390-D401 HydrophobicContact CE1-CB 4.08Å; F390-D401 HydrophobicContact CZ-CB 3.82Å; V397-D401 HydrophobicContact CG1-CB 4.4Å; K398-D401 WeakPolarHBondContact CA-OD2 3.47Å; K398-D401 WeakPolarHBondContact CB-OD2 3.44Å; K398-D401 PolarHBondContact N-OD2 3.24Å; K398-D401 PolarHBondContact O-N 3.22Å; R399-D401 VanDerWaalsContact C-N 3.3Å; R399-D401 PolarHBondContact O-N 3.44Å; D401-Q403 VanDerWaalsContact C-N 3.34Å; D401-Q403 PolarHBondContact O-N 3.46Å; D401-Q404 PolarHBondContact O-N 2.89Å; D401-F405 PolarHBondContact O-N 3.46Å
402	I	85.9	Confident	83.8	Confident	57 Å²	57	89 Å²	89	29%	0.292	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.8	-59.5	-60.1	0	0	0	111.2	L387 V397 K398 R399 F405 F406	L387-I402 HydrophobicContact CD2-CD1 3.89Å; V397-I402 HydrophobicContact CG1-CD1 3.8Å; V397-I402 HydrophobicContact CG1-CG1 4.01Å; K398-I402 PolarHBondContact O-N 3.48Å; R399-I402 PolarHBondContact O-N 3.46Å; I402-F405 WeakPolarHBondContact O-CB 2.94Å; I402-F405 PolarHBondContact O-N 2.98Å; I402-F406 HydrophobicContact CG2-CD2 3.92Å; I402-F406 HydrophobicContact CG2-CE2 3.74Å; I402-F406 VanDerWaalsContact O-CD2 3.26Å; I402-F406 WeakPolarHBondContact O-CD2 3.31Å; I402-F406 PolarHBondContact O-N 3.25Å
403	Q	85.8	Confident	83.7	Confident	109 Å²	109	87.1 Å²	87.1	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-43.8	178.1	-174.4	172.6	-17.7	0	0	111.5	R399 E400 D401 F405 F406 E407	R399-Q403 WeakPolarHBondContact O-CB 3.49Å; R399-Q403 PolarHBondContact O-N 3.19Å; E400-Q403 PolarHBondContact O-N 3.33Å; D401-Q403 VanDerWaalsContact C-N 3.34Å; D401-Q403 PolarHBondContact O-N 3.46Å; Q403-F405 VanDerWaalsContact C-N 3.33Å; Q403-F405 PolarHBondContact O-N 2.96Å; Q403-F406 PolarHBondContact O-N 2.79Å; Q403-E407 PolarHBondContact NE2-OE1 2.83Å; Q403-E407 VanDerWaalsContact NE2-OE1 3.08Å; Q403-E407 WeakPolarHBondContact O-CG 3.37Å; Q403-E407 PolarHBondContact O-N 2.94Å
404	Q	88.7	Confident	83.3	Confident	95 Å²	95	88.7 Å²	88.7	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-59.2	-43.7	174.5	-178.9	178.3	-17	0	0	111.5	E400 D401 F406 E407 E408	E400-Q404 WeakPolarHBondContact O-CB 3.42Å; E400-Q404 PolarHBondContact O-N 2.91Å; D401-Q404 PolarHBondContact O-N 2.89Å; Q404-F406 PolarHBondContact O-N 3.31Å; Q404-E407 PolarHBondContact O-N 2.56Å; Q404-E408 HydrophobicContact CG-CG 4.39Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.14Å; Q404-E408 PolarHBondContact NE2-OE1 3.43Å; Q404-E408 WeakPolarHBondContact O-CG 3.44Å; Q404-E408 PolarHBondContact O-N 3.09Å
405	F	91.2	Very high	83	Confident	6 Å²	6	95.1 Å²	95.1	3%	0.026	44%	0.439	C	S	.	.	H	α-helix	trans	-54.5	-49.7	175.4	168.4	-96.6	0	0	0	112	L379 E382 L383 Y386 D401 I402 Q403 E407 E408 F409	L379-F405 HydrophobicContact CD1-CE1 3.73Å; L379-F405 HydrophobicContact CD1-CZ 3.99Å; E382-F405 HydrophobicContact CB-CE2 3.99Å; E382-F405 HydrophobicContact CB-CZ 4.13Å; E382-F405 WeakPolarHBondContact O-CE2 3.31Å; L383-F405 HydrophobicContact CB-CE1 3.92Å; L383-F405 HydrophobicContact CB-CE2 4.28Å; L383-F405 HydrophobicContact CB-CZ 3.65Å; L383-F405 HydrophobicContact CD1-CD1 3.8Å; L383-F405 HydrophobicContact CD1-CE1 3.76Å; L383-F405 HydrophobicContact CD1-CG 4.22Å; L383-F405 HydrophobicContact CD1-CZ 4.15Å; L383-F405 HydrophobicContact CG-CE1 4.35Å; L383-F405 HydrophobicContact CG-CZ 4.49Å; Y386-F405 HydrophobicContact CD1-CB 3.97Å; Y386-F405 HydrophobicContact CD1-CD2 4.11Å; Y386-F405 HydrophobicContact CD1-CG 4.26Å; Y386-F405 HydrophobicContact CD2-CB 4.33Å; Y386-F405 AromaticContact CD2-CD2 3.9Å; Y386-F405 HydrophobicContact CD2-CD2 3.9Å; Y386-F405 HydrophobicContact CE1-CB 3.88Å; Y386-F405 HydrophobicContact CE2-CB 4.25Å; Y386-F405 HydrophobicContact CG-CB 4.21Å; Y386-F405 AromaticContact CG-CD2 3.64Å; Y386-F405 HydrophobicContact CG-CD2 3.64Å; Y386-F405 HydrophobicContact CG-CE2 4.47Å; Y386-F405 HydrophobicContact CG-CG 4.23Å; D401-F405 PolarHBondContact O-N 3.46Å; I402-F405 WeakPolarHBondContact O-CB 2.94Å; I402-F405 PolarHBondContact O-N 2.98Å; Q403-F405 VanDerWaalsContact C-N 3.33Å; Q403-F405 PolarHBondContact O-N 2.96Å; F405-E407 PolarHBondContact O-N 2.81Å; F405-E408 PolarHBondContact O-N 3.09Å; F405-F409 HydrophobicContact CE1-CB 4.45Å; F405-F409 HydrophobicContact CZ-CB 4.32Å; F405-F409 HydrophobicContact CZ-CD2 4.07Å; F405-F409 HydrophobicContact CZ-CG 4.32Å; F405-F409 VanDerWaalsContact O-CB 3.24Å; F405-F409 WeakPolarHBondContact O-CB 3.5Å; F405-F409 PolarHBondContact O-N 2.91Å
406	F	90.5	Very high	82.5	Confident	82 Å²	82	98.7 Å²	98.7	36%	0.36	45%	0.445	S	S	.	.	H	α-helix	trans	-67.3	-34.7	-179.7	-78.8	-70.1	0	0	0	113	L379 I402 Q403 Q404 Q410	L379-F406 HydrophobicContact CD1-CD1 4.49Å; L379-F406 HydrophobicContact CD1-CE1 3.82Å; I402-F406 HydrophobicContact CG2-CD2 3.92Å; I402-F406 HydrophobicContact CG2-CE2 3.74Å; I402-F406 VanDerWaalsContact O-CD2 3.26Å; I402-F406 WeakPolarHBondContact O-CD2 3.31Å; I402-F406 PolarHBondContact O-N 3.25Å; Q403-F406 PolarHBondContact O-N 2.79Å; Q404-F406 PolarHBondContact O-N 3.31Å; F406-Q410 WeakPolarHBondContact O-CB 3.26Å; F406-Q410 VanDerWaalsContact O-CG 3.29Å; F406-Q410 WeakPolarHBondContact O-CG 3.49Å; F406-Q410 PolarHBondContact O-N 3.02Å
407	E	89.9	Confident	81.5	Confident	113 Å²	113	97.6 Å²	97.6	53%	0.528	44%	0.439	S	S	.	.	H	α-helix	trans	-66.2	-41.8	174.4	-71.8	177.9	-162.7	0	0	111.9	Q403 Q404 F405 S411	Q403-E407 PolarHBondContact NE2-OE1 2.83Å; Q403-E407 VanDerWaalsContact NE2-OE1 3.08Å; Q403-E407 WeakPolarHBondContact O-CG 3.37Å; Q403-E407 PolarHBondContact O-N 2.94Å; Q404-E407 PolarHBondContact O-N 2.56Å; F405-E407 PolarHBondContact O-N 2.81Å; E407-S411 VanDerWaalsContact O-CB 3.3Å; E407-S411 WeakPolarHBondContact O-CB 3.34Å; E407-S411 PolarHBondContact O-N 3.34Å; E407-S411 VanDerWaalsContact O-N 3.1Å; E407-S411 PolarHBondContact O-OG 2.98Å
408	E	86.8	Confident	80.1	Confident	85 Å²	85	102 Å²	102	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-66.8	-44.7	173.9	-73.5	-175.2	-159.4	0	0	112	Q404 F405 S411 K412	Q404-E408 HydrophobicContact CG-CG 4.39Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.14Å; Q404-E408 PolarHBondContact NE2-OE1 3.43Å; Q404-E408 WeakPolarHBondContact O-CG 3.44Å; Q404-E408 PolarHBondContact O-N 3.09Å; F405-E408 PolarHBondContact O-N 3.09Å; E408-S411 WeakPolarHBondContact O-CB 3.36Å; E408-S411 PolarHBondContact O-N 3.32Å; E408-K412 WeakPolarHBondContact O-CG 3.48Å; E408-K412 PolarHBondContact O-N 3.5Å
409	F	86.1	Confident	78.3	Confident	25 Å²	25	98.7 Å²	98.7	11%	0.11	46%	0.463	C	S	.	.	H	α-helix	trans	-62.4	-47.2	179.5	-173.4	-96.4	0	0	0	111.7	D378 L379 E382 F405 S411 K412 K413	D378-F409 HydrophobicContact CB-CZ 4.45Å; L379-F409 HydrophobicContact CB-CE1 4.2Å; L379-F409 HydrophobicContact CB-CE2 4.38Å; L379-F409 HydrophobicContact CB-CZ 3.77Å; L379-F409 HydrophobicContact CD1-CD1 4.07Å; L379-F409 HydrophobicContact CD1-CD2 4.49Å; L379-F409 HydrophobicContact CD1-CE1 3.88Å; L379-F409 HydrophobicContact CD1-CE2 4.32Å; L379-F409 HydrophobicContact CD1-CG 4.38Å; L379-F409 HydrophobicContact CD1-CZ 4.02Å; E382-F409 HydrophobicContact CB-CD2 4Å; E382-F409 HydrophobicContact CB-CE2 3.97Å; E382-F409 HydrophobicContact CG-CD2 4.29Å; E382-F409 HydrophobicContact CG-CE2 4.1Å; F405-F409 HydrophobicContact CE1-CB 4.45Å; F405-F409 HydrophobicContact CZ-CB 4.32Å; F405-F409 HydrophobicContact CZ-CD2 4.07Å; F405-F409 HydrophobicContact CZ-CG 4.32Å; F405-F409 VanDerWaalsContact O-CB 3.24Å; F405-F409 WeakPolarHBondContact O-CB 3.5Å; F405-F409 PolarHBondContact O-N 2.91Å; F409-S411 VanDerWaalsContact C-N 3.28Å; F409-S411 PolarHBondContact O-N 2.96Å; F409-K412 PolarHBondContact O-N 3.34Å; F409-K413 WeakPolarHBondContact O-CB 3.15Å; F409-K413 PolarHBondContact O-N 3.2Å
410	Q	83.1	Confident	76.6	Confident	101 Å²	101	95.1 Å²	95.1	47%	0.472	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-38	173.2	-73	-177.5	33.4	0	0	112.2	F406 K413 R414	F406-Q410 WeakPolarHBondContact O-CB 3.26Å; F406-Q410 VanDerWaalsContact O-CG 3.29Å; F406-Q410 WeakPolarHBondContact O-CG 3.49Å; F406-Q410 PolarHBondContact O-N 3.02Å; Q410-K413 PolarHBondContact O-N 2.85Å; Q410-R414 WeakPolarHBondContact O-CG 3.48Å; Q410-R414 PolarHBondContact O-N 3.02Å
411	S	82.9	Confident	74.4	Confident	58 Å²	58	96.7 Å²	96.7	41%	0.406	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-38.8	177.5	-63.2	0	0	0	0	112.5	E407 E408 F409 R415	E407-S411 VanDerWaalsContact O-CB 3.3Å; E407-S411 WeakPolarHBondContact O-CB 3.34Å; E407-S411 PolarHBondContact O-N 3.34Å; E407-S411 VanDerWaalsContact O-N 3.1Å; E407-S411 PolarHBondContact O-OG 2.98Å; E408-S411 WeakPolarHBondContact O-CB 3.36Å; E408-S411 PolarHBondContact O-N 3.32Å; F409-S411 VanDerWaalsContact C-N 3.28Å; F409-S411 PolarHBondContact O-N 2.96Å; S411-R415 WeakPolarHBondContact O-CG 3.22Å; S411-R415 PolarHBondContact O-N 3.35Å
412	K	80.1	Confident	72.3	Confident	81 Å²	81	104.6 Å²	104.6	35%	0.352	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-49	170.8	-71.9	176	179.3	-173.1	0	110.9	E382 E408 F409 R414 R415 R416	E382-K412 IonicContact OE1-NZ 3.94Å; E382-K412 PolarHBondContact OE1-NZ 3.41Å; E382-K412 IonicContact OE2-NZ 2.73Å; E382-K412 PolarHBondContact OE2-NZ 3.29Å; E408-K412 WeakPolarHBondContact O-CG 3.48Å; E408-K412 PolarHBondContact O-N 3.5Å; F409-K412 PolarHBondContact O-N 3.34Å; K412-R414 PolarHBondContact O-N 3.01Å; K412-R415 PolarHBondContact O-N 3.24Å; K412-R416 PolarHBondContact O-N 2.89Å
413	K	76.1	Confident	70.1	Confident	82 Å²	82	111.2 Å²	111.2	36%	0.357	52%	0.515	S	S	.	.	H	α-helix	trans	-58.7	-47.7	-179.3	-177	168.6	178.1	162.7	0	112.2	E375 F409 Q410 R415 R416 V417	E375-K413 VanDerWaalsContact CD-CE 3.43Å; E375-K413 WeakPolarHBondContact OE1-CE 3.17Å; E375-K413 IonicContact OE1-NZ 2.87Å; E375-K413 PolarHBondContact OE1-NZ 3.08Å; E375-K413 WeakPolarHBondContact OE2-CD 3.29Å; E375-K413 WeakPolarHBondContact OE2-CE 3.44Å; E375-K413 IonicContact OE2-NZ 2.92Å; E375-K413 PolarHBondContact OE2-NZ 2.94Å; F409-K413 WeakPolarHBondContact O-CB 3.15Å; F409-K413 PolarHBondContact O-N 3.2Å; Q410-K413 PolarHBondContact O-N 2.85Å; K413-R415 VanDerWaalsContact C-N 3.28Å; K413-R415 PolarHBondContact O-N 3.23Å; K413-R416 PolarHBondContact O-N 3.09Å; K413-R416 VanDerWaalsContact O-N 3.08Å; K413-V417 PolarHBondContact O-N 3.49Å
414	R	72.9	Confident	67.6	Low	174 Å²	174	112.1 Å²	112.1	66%	0.657	53%	0.532	S	S	*	.	H	α-helix	trans	-55.5	-41.1	175.9	-72.3	177.3	-168.7	177.7	8.5	112.5	Q410 K412 R416 V417 D418	Q410-R414 WeakPolarHBondContact O-CG 3.48Å; Q410-R414 PolarHBondContact O-N 3.02Å; K412-R414 PolarHBondContact O-N 3.01Å; R414-R416 PolarHBondContact O-N 3.34Å; R414-V417 PolarHBondContact O-N 3.02Å; R414-D418 PolarHBondContact O-N 3.03Å
415	R	66.8	Low	65.4	Low	205 Å²	205	116.4 Å²	116.4	77%	0.774	57%	0.573	S	S	*	*	H	α-helix	trans	-69.1	-28.6	178.2	-69	175.2	-175	-179.4	4.5	114	S411 K412 K413	S411-R415 WeakPolarHBondContact O-CG 3.22Å; S411-R415 PolarHBondContact O-N 3.35Å; K412-R415 PolarHBondContact O-N 3.24Å; K413-R415 VanDerWaalsContact C-N 3.28Å; K413-R415 PolarHBondContact O-N 3.23Å
416	R	65.7	Low	64.1	Low	139 Å²	139	121.9 Å²	121.9	53%	0.525	60%	0.6	S	S	.	*	H	α-helix	trans	-72.3	-42	175.4	-68.6	-178	-176.1	171.6	-0.1	111.5	D378 K412 K413 R414 G419	D378-R416 IonicContact OD2-CZ 2.85Å; D378-R416 IonicContact OD2-NH1 2.7Å; D378-R416 PolarHBondContact OD2-NH1 3.03Å; D378-R416 IonicContact OD2-NH2 3.44Å; K412-R416 PolarHBondContact O-N 2.89Å; K413-R416 PolarHBondContact O-N 3.09Å; K413-R416 VanDerWaalsContact O-N 3.08Å; R414-R416 PolarHBondContact O-N 3.34Å; R416-G419 PolarHBondContact O-N 3.09Å
417	V	59.7	Low	62.7	Low	103 Å²	103	124 Å²	124	62%	0.624	61%	0.613	S	S	*	*	H	α-helix	trans	-67.8	-39.2	-179	179.5	0	0	0	0	112.1	K413 R414 G419 M420	K413-V417 PolarHBondContact O-N 3.49Å; R414-V417 PolarHBondContact O-N 3.02Å; V417-G419 PolarHBondContact O-N 2.95Å; V417-M420 PolarHBondContact O-N 2.93Å
418	D	51.3	Low	61.2	Low	148 Å²	148	124.6 Å²	124.6	79%	0.791	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-13.9	-177.5	-137.1	19.7	0	0	0	113.8	R414	R414-D418 PolarHBondContact O-N 3.03Å
419	G	47.1	Very low	59.6	Low	62 Å²	62	126.9 Å²	126.9	64%	0.639	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-8	179.4	0	0	0	0	0	115.3	R416 V417 Q421	R416-G419 PolarHBondContact O-N 3.09Å; V417-G419 PolarHBondContact O-N 2.95Å; G419-Q421 VanDerWaalsContact C-N 3.33Å; G419-Q421 PolarHBondContact O-N 3.32Å; G419-Q421 VanDerWaalsContact O-N 3.09Å
420	M	47.9	Very low	58	Low	123 Å²	123	133.3 Å²	133.3	61%	0.606	66%	0.663	S	S	*	*			trans	-89.3	52.4	-167.1	-138.1	82.9	155.8	0	0	113.3	V417 Y422	V417-M420 PolarHBondContact O-N 2.93Å; M420-Y422 HydrophobicContact CB-CE2 4.28Å; M420-Y422 WeakPolarHBondContact CE-OH 3.33Å; M420-Y422 HydrophobicContact CG-CD2 4.3Å; M420-Y422 HydrophobicContact CG-CE2 3.49Å; M420-Y422 VanDerWaalsContact CG-CE2 3.49Å; M420-Y422 WeakPolarHBondContact O-CD2 3.44Å; M420-Y422 PolarHBondContact O-N 3.16Å; M420-Y422 VanDerWaalsContact O-N 3.08Å
421	Q	40.4	Very low	56.3	Low	150 Å²	150	135.5 Å²	135.5	70%	0.701	68%	0.676	S	S	*	*			trans	-77.6	90.9	174.5	-77	-174.3	-13.6	0	0	111.5	G419 Y423	G419-Q421 VanDerWaalsContact C-N 3.33Å; G419-Q421 PolarHBondContact O-N 3.32Å; G419-Q421 VanDerWaalsContact O-N 3.09Å; Q421-Y423 HydrophobicContact CB-CE2 4.27Å; Q421-Y423 PolarHBondContact O-N 3.41Å; Q421-Y423 VanDerWaalsContact O-N 3.09Å
422	Y	40.1	Very low	54.4	Low	198 Å²	198	141 Å²	141	78%	0.776	70%	0.695	S	S	*	*			trans	-68	101.7	171.9	-65.7	-83.2	0	0	0	111.4	M420	M420-Y422 HydrophobicContact CB-CE2 4.28Å; M420-Y422 WeakPolarHBondContact CE-OH 3.33Å; M420-Y422 HydrophobicContact CG-CD2 4.3Å; M420-Y422 HydrophobicContact CG-CE2 3.49Å; M420-Y422 VanDerWaalsContact CG-CE2 3.49Å; M420-Y422 WeakPolarHBondContact O-CD2 3.44Å; M420-Y422 PolarHBondContact O-N 3.16Å; M420-Y422 VanDerWaalsContact O-N 3.08Å
423	Y	39.1	Very low	52.5	Low	196 Å²	196	145.6 Å²	145.6	77%	0.769	72%	0.721	S	S	*	*			trans	-83.3	116.8	163.3	-78.7	-87.1	0	0	0	109.8	Q421	Q421-Y423 HydrophobicContact CB-CE2 4.27Å; Q421-Y423 PolarHBondContact O-N 3.41Å; Q421-Y423 VanDerWaalsContact O-N 3.09Å
424	C	33.7	Very low	50.5	Low	128 Å²	128	150.9 Å²	150.9	87%	0.865	75%	0.752	S	S	*	*			trans	-76	139.4	166.8	-165	0	0	0	0	109.5
425	S	41.1	Very low	48.4	Very low	185 Å²	185	148.8 Å²	148.8	100%	1.294	76%	0.76	S	S	*	*			trans	-133.2	0	173.7	-65.2	0	0	0	0	109.6

Retrieved 425 of 425 residues in 685.3 ms (Link to these results)

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