A0A077ZLL9_TRITR Loading...

Carboxyl trans domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 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	71.7	Confident	94.9	Very high	183 Å²	183	118.2 Å²	118.2	90%	0.901	58%	0.583	S	S	*	*				0	121	0	-156.9	-175.6	-63.3	0	0	105.8	H5 I9	M1-H5 HydrophobicContact CG-CB 4.12Å; M1-I9 HydrophobicContact CE-CD1 4.38Å; M1-I9 HydrophobicContact SD-CD1 3.82Å
2	D	94.9	Very high	95	Very high	98 Å²	98	115.4 Å²	115.4	52%	0.524	57%	0.572	S	S	.	*			trans	-95.2	172.1	178.3	67	-6.3	0	0	0	110.6	K4 H5 A6	D2-K4 VanDerWaalsContact C-N 3.25Å; D2-K4 PolarHBondContact O-N 2.88Å; D2-H5 PolarHBondContact O-N 3.43Å; D2-H5 WeakPolarHBondContact OD1-CB 3.46Å; D2-H5 PolarHBondContact OD1-N 3.11Å; D2-A6 PolarHBondContact O-N 3.2Å
3	E	97	Very high	95.1	Very high	167 Å²	167	111.2 Å²	111.2	78%	0.78	57%	0.567	S	S	*	*	H	α-helix	trans	-59.6	-36.2	-179.7	-65.8	-177.4	157.1	0	0	112.4	A6 L7	E3-A6 PolarHBondContact O-N 3.03Å; E3-L7 WeakPolarHBondContact O-CG 3.47Å; E3-L7 PolarHBondContact O-N 3.25Å
4	K	97.6	Very high	95	Very high	168 Å²	168	110.4 Å²	110.4	73%	0.73	56%	0.563	S	S	*	*	H	α-helix	trans	-63.6	-44.6	178.4	-69.1	-177.8	-179.4	176.7	0	111.4	D2 L7 H8	D2-K4 VanDerWaalsContact C-N 3.25Å; D2-K4 PolarHBondContact O-N 2.88Å; K4-L7 PolarHBondContact O-N 3.48Å; K4-H8 PolarHBondContact O-N 2.95Å; K4-H8 VanDerWaalsContact O-N 3.1Å
5	H	97.8	Very high	94.8	Very high	91 Å²	91	108.6 Å²	108.6	42%	0.421	56%	0.564	S	S	.	*	H	α-helix	trans	-65.8	-39.5	176	-170.9	-175.2	0	0	0	111.3	M1 D2 L7 H8 I9	M1-H5 HydrophobicContact CG-CB 4.12Å; D2-H5 PolarHBondContact O-N 3.43Å; D2-H5 WeakPolarHBondContact OD1-CB 3.46Å; D2-H5 PolarHBondContact OD1-N 3.11Å; H5-L7 PolarHBondContact O-N 3.2Å; H5-H8 WeakPolarHBondContact O-CB 3.47Å; H5-H8 PolarHBondContact O-N 2.91Å; H5-I9 WeakPolarHBondContact O-CG1 3.38Å; H5-I9 PolarHBondContact O-N 3.17Å
6	A	98.1	Very high	94.7	Very high	48 Å²	48	109.8 Å²	109.8	40%	0.397	57%	0.571	S	S	.	*	H	α-helix	trans	-60	-44.2	175.8	0	0	0	0	0	112.6	D2 E3 H8 I9 A10	D2-A6 PolarHBondContact O-N 3.2Å; E3-A6 PolarHBondContact O-N 3.03Å; A6-H8 VanDerWaalsContact C-N 3.32Å; A6-H8 PolarHBondContact O-N 2.95Å; A6-I9 PolarHBondContact O-N 3.39Å; A6-A10 PolarHBondContact O-N 3.27Å
7	L	97.9	Very high	94.5	Very high	122 Å²	122	108.6 Å²	108.6	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-64.3	-35.4	175.4	-69.9	174.6	0	0	0	112.7	E3 K4 H5 A10 R11	E3-L7 WeakPolarHBondContact O-CG 3.47Å; E3-L7 PolarHBondContact O-N 3.25Å; K4-L7 PolarHBondContact O-N 3.48Å; H5-L7 PolarHBondContact O-N 3.2Å; L7-A10 PolarHBondContact O-N 3.04Å; L7-R11 WeakPolarHBondContact O-CG 3.31Å; L7-R11 PolarHBondContact O-N 3.22Å; L7-R11 VanDerWaalsContact O-N 3.11Å
8	H	97.2	Very high	94	Very high	103 Å²	103	111.2 Å²	111.2	48%	0.477	58%	0.58	S	S	.	*	H	α-helix	trans	-63.2	-47.8	174.4	179.4	72.1	0	0	0	111.5	K4 H5 A6 A10 R11 L12	K4-H8 PolarHBondContact O-N 2.95Å; K4-H8 VanDerWaalsContact O-N 3.1Å; H5-H8 WeakPolarHBondContact O-CB 3.47Å; H5-H8 PolarHBondContact O-N 2.91Å; A6-H8 VanDerWaalsContact C-N 3.32Å; A6-H8 PolarHBondContact O-N 2.95Å; H8-A10 VanDerWaalsContact C-N 3.31Å; H8-A10 PolarHBondContact O-N 2.93Å; H8-R11 PolarHBondContact O-N 3.48Å; H8-L12 WeakPolarHBondContact NE2-CD1 3.41Å; H8-L12 PolarHBondContact O-N 2.64Å
9	I	97.7	Very high	93	Very high	74 Å²	74	115.8 Å²	115.8	38%	0.379	59%	0.589	S	S	.	*	H	α-helix	trans	-60	-42.4	176.8	-65.8	167.1	0	0	0	110.6	M1 H5 A6 R11 L12 A13	M1-I9 HydrophobicContact CE-CD1 4.38Å; M1-I9 HydrophobicContact SD-CD1 3.82Å; H5-I9 WeakPolarHBondContact O-CG1 3.38Å; H5-I9 PolarHBondContact O-N 3.17Å; A6-I9 PolarHBondContact O-N 3.39Å; I9-R11 VanDerWaalsContact C-N 3.33Å; I9-R11 PolarHBondContact O-N 3.03Å; I9-L12 WeakPolarHBondContact O-CB 3.22Å; I9-L12 PolarHBondContact O-N 3.31Å; I9-A13 PolarHBondContact O-N 2.78Å
10	A	97.4	Very high	91.4	Very high	53 Å²	53	115.9 Å²	115.9	44%	0.438	60%	0.599	S	S	.	*	H	α-helix	trans	-59.4	-41.2	176.8	0	0	0	0	0	112.4	A6 L7 H8 A13 I14	A6-A10 PolarHBondContact O-N 3.27Å; L7-A10 PolarHBondContact O-N 3.04Å; H8-A10 VanDerWaalsContact C-N 3.31Å; H8-A10 PolarHBondContact O-N 2.93Å; A10-A13 PolarHBondContact O-N 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.47Å; A10-I14 PolarHBondContact O-N 2.9Å; A10-I14 VanDerWaalsContact O-N 3.14Å
11	R	96.7	Very high	89.7	Confident	193 Å²	193	119 Å²	119	73%	0.728	61%	0.611	S	S	*	*	H	α-helix	trans	-65.1	-40	175.8	-69.2	174.3	70	89.7	0.8	112.2	L7 H8 I9 A13 I14 S15	L7-R11 WeakPolarHBondContact O-CG 3.31Å; L7-R11 PolarHBondContact O-N 3.22Å; L7-R11 VanDerWaalsContact O-N 3.11Å; H8-R11 PolarHBondContact O-N 3.48Å; I9-R11 VanDerWaalsContact C-N 3.33Å; I9-R11 PolarHBondContact O-N 3.03Å; R11-A13 VanDerWaalsContact C-N 3.32Å; R11-I14 PolarHBondContact O-N 3.28Å; R11-S15 PolarHBondContact O-N 2.73Å
12	L	96.2	Very high	88.8	Confident	85 Å²	85	113.3 Å²	113.3	45%	0.445	59%	0.589	S	S	.	*	H	α-helix	trans	-63.2	-38	174.7	-70.1	175.9	0	0	0	111.9	H8 I9 S15 N16	H8-L12 WeakPolarHBondContact NE2-CD1 3.41Å; H8-L12 PolarHBondContact O-N 2.64Å; I9-L12 WeakPolarHBondContact O-CB 3.22Å; I9-L12 PolarHBondContact O-N 3.31Å; L12-S15 WeakPolarHBondContact CA-OG 3.25Å; L12-S15 PolarHBondContact O-N 3.29Å; L12-S15 PolarHBondContact O-OG 2.9Å; L12-N16 PolarHBondContact O-ND2 3.46Å
13	A	95.8	Very high	86.4	Confident	61 Å²	61	114.5 Å²	114.5	50%	0.504	60%	0.6	S	S	.	*	H	α-helix	trans	-62.6	-46.1	174.9	0	0	0	0	0	111.3	I9 A10 R11 S15 N16	I9-A13 PolarHBondContact O-N 2.78Å; A10-A13 PolarHBondContact O-N 3.24Å; R11-A13 VanDerWaalsContact C-N 3.32Å; A13-S15 PolarHBondContact O-N 2.84Å; A13-N16 PolarHBondContact O-N 3.38Å
14	I	93.9	Very high	84.1	Confident	100 Å²	100	108 Å²	108	51%	0.513	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-35.7	178.9	-63.6	-60.6	0	0	0	112.5	A10 R11 N16 L17	A10-I14 WeakPolarHBondContact O-CG1 3.47Å; A10-I14 PolarHBondContact O-N 2.9Å; A10-I14 VanDerWaalsContact O-N 3.14Å; R11-I14 PolarHBondContact O-N 3.28Å; I14-N16 PolarHBondContact O-N 3.23Å; I14-L17 HydrophobicContact CB-CD1 4.49Å; I14-L17 HydrophobicContact CD1-CD1 3.78Å; I14-L17 HydrophobicContact CG2-CD1 4.24Å; I14-L17 WeakPolarHBondContact O-CG 3.49Å; I14-L17 PolarHBondContact O-N 3.49Å
15	S	92.6	Very high	81.7	Confident	83 Å²	83	108.2 Å²	108.2	58%	0.58	58%	0.575	S	S	*	*	H	α-helix	trans	-65.9	-21.7	179.7	62	0	0	0	0	113.5	R11 L12 A13	R11-S15 PolarHBondContact O-N 2.73Å; L12-S15 WeakPolarHBondContact CA-OG 3.25Å; L12-S15 PolarHBondContact O-N 3.29Å; L12-S15 PolarHBondContact O-OG 2.9Å; A13-S15 PolarHBondContact O-N 2.84Å
16	N	93.1	Very high	79.5	Confident	127 Å²	127	104.8 Å²	104.8	68%	0.679	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	13.8	-177.1	-70.3	-72.9	0	0	0	113.9	L12 A13 I14 N18	L12-N16 PolarHBondContact O-ND2 3.46Å; A13-N16 PolarHBondContact O-N 3.38Å; I14-N16 PolarHBondContact O-N 3.23Å; N16-N18 PolarHBondContact O-N 2.95Å; N16-N18 VanDerWaalsContact O-N 3.15Å
17	L	90.5	Very high	77.2	Confident	91 Å²	91	106 Å²	106	48%	0.476	56%	0.563	S	S	.	*	S	Bend	trans	-72.5	-0.3	-178	-70.7	177.8	0	0	0	115.3	I14 R19	I14-L17 HydrophobicContact CB-CD1 4.49Å; I14-L17 HydrophobicContact CD1-CD1 3.78Å; I14-L17 HydrophobicContact CG2-CD1 4.24Å; I14-L17 WeakPolarHBondContact O-CG 3.49Å; I14-L17 PolarHBondContact O-N 3.49Å; L17-R19 HydrophobicContact CB-CG 4.02Å; L17-R19 PolarHBondContact O-N 3.39Å; L17-R19 VanDerWaalsContact O-N 3.14Å
18	N	86.9	Confident	75.2	Confident	154 Å²	154	103.8 Å²	103.8	82%	0.824	56%	0.557	S	S	*	*			trans	46	43.5	-172.3	-168.4	30.1	0	0	0	112.3	N16 C20	N16-N18 PolarHBondContact O-N 2.95Å; N16-N18 VanDerWaalsContact O-N 3.15Å; N18-C20 PolarHBondContact O-N 3.29Å
19	R	74	Confident	73.7	Confident	199 Å²	199	105.4 Å²	105.4	75%	0.751	56%	0.56	S	S	*	*			trans	-66.3	101.5	-178.4	-87.6	-177.4	170.7	-172.9	-2.1	109.2	L17 Q21	L17-R19 HydrophobicContact CB-CG 4.02Å; L17-R19 PolarHBondContact O-N 3.39Å; L17-R19 VanDerWaalsContact O-N 3.14Å; R19-Q21 PolarHBondContact O-N 2.9Å
20	C	61.9	Low	72.8	Confident	117 Å²	117	103.4 Å²	103.4	79%	0.791	56%	0.555	S	S	*	*			trans	-56.7	122.7	159.7	-115.1	0	0	0	0	107.3	N18 S22	N18-C20 PolarHBondContact O-N 3.29Å; C20-S22 VanDerWaalsContact C-N 3.3Å; C20-S22 PolarHBondContact O-N 3.41Å
21	Q	55.3	Low	72.4	Confident	181 Å²	181	108.3 Å²	108.3	85%	0.846	57%	0.569	S	S	*	*			trans	-58.9	105.9	162.9	-77.2	-174.7	-4.6	0	0	105.4	R19 T23	R19-Q21 PolarHBondContact O-N 2.9Å; Q21-T23 PolarHBondContact O-N 2.91Å
22	S	51.8	Low	72.2	Confident	65 Å²	65	102.5 Å²	102.5	46%	0.455	56%	0.555	S	S	.	*			trans	-43.8	112.2	-178.1	-165.8	0	0	0	0	108.1	C20 V24 K275	C20-S22 VanDerWaalsContact C-N 3.3Å; C20-S22 PolarHBondContact O-N 3.41Å; S22-V24 PolarHBondContact O-N 2.9Å; S22-V24 WeakPolarHBondContact OG-CG2 3.46Å; S22-K275 PolarHBondContact OG-O 3.39Å; S22-K275 VanDerWaalsContact OG-O 3.12Å
23	T	46.1	Very low	72.2	Confident	123 Å²	123	101.6 Å²	101.6	76%	0.755	55%	0.548	S	S	*	.			trans	-71.2	44.3	174.1	41.5	0	0	0	0	109.4	Q21 H25	Q21-T23 PolarHBondContact O-N 2.91Å; T23-H25 VanDerWaalsContact C-N 3.28Å; T23-H25 PolarHBondContact O-CD2 3.21Å; T23-H25 PolarHBondContact O-N 2.91Å
24	V	47.6	Very low	72.2	Confident	29 Å²	29	102.9 Å²	102.9	18%	0.176	55%	0.551	C	S	.	*			trans	-69.7	99.9	169.9	-152.2	0	0	0	0	105.7	S22 F26 K275	S22-V24 PolarHBondContact O-N 2.9Å; S22-V24 WeakPolarHBondContact OG-CG2 3.46Å; V24-F26 HydrophobicContact CB-CD2 3.8Å; V24-F26 HydrophobicContact CB-CE2 3.88Å; V24-F26 HydrophobicContact CG1-CD2 3.51Å; V24-F26 HydrophobicContact CG1-CE2 3.25Å; V24-F26 HydrophobicContact CG1-CZ 4.21Å; V24-F26 PolarHBondContact O-N 3.48Å; V24-K275 WeakPolarHBondContact CG2-O 3.38Å
25	H	47.8	Very low	72.4	Confident	174 Å²	174	99.4 Å²	99.4	81%	0.806	54%	0.535	S	S	*	.			trans	-61.3	71.5	166.4	-75	-81	0	0	0	108.9	T23	T23-H25 VanDerWaalsContact C-N 3.28Å; T23-H25 PolarHBondContact O-CD2 3.21Å; T23-H25 PolarHBondContact O-N 2.91Å
26	F	51.8	Low	72.6	Confident	18 Å²	18	102.6 Å²	102.6	8%	0.079	54%	0.539	C	S	.	.			trans	-72.8	136	156.7	-81.3	-81.8	0	0	0	107.5	V24 S28 N120 P122 P160 V274	V24-F26 HydrophobicContact CB-CD2 3.8Å; V24-F26 HydrophobicContact CB-CE2 3.88Å; V24-F26 HydrophobicContact CG1-CD2 3.51Å; V24-F26 HydrophobicContact CG1-CE2 3.25Å; V24-F26 HydrophobicContact CG1-CZ 4.21Å; V24-F26 PolarHBondContact O-N 3.48Å; F26-S28 PolarHBondContact O-N 3.13Å; F26-N120 WeakPolarHBondContact CE1-ND2 3.25Å; F26-N120 WeakPolarHBondContact CE1-O 3.37Å; F26-P122 HydrophobicContact CE1-CG 4.22Å; F26-P160 HydrophobicContact CZ-CG 4.41Å; F26-V274 HydrophobicContact CD2-CB 3.84Å; F26-V274 HydrophobicContact CE1-CG1 4.37Å; F26-V274 HydrophobicContact CE2-CB 3.57Å; F26-V274 HydrophobicContact CE2-CG1 4.28Å; F26-V274 WeakPolarHBondContact CE2-O 3.39Å; F26-V274 HydrophobicContact CG-CB 4.44Å; F26-V274 HydrophobicContact CZ-CB 3.94Å; F26-V274 HydrophobicContact CZ-CG1 4.17Å
27	P	49.7	Very low	72.8	Confident	75 Å²	75	99.6 Å²	99.6	49%	0.487	52%	0.522	S	S	.	.	S	Bend	trans	-64.7	111.4	-173.7	25.2	-31.6	0	0	0	109.4
28	S	55.1	Low	73.1	Confident	74 Å²	74	98.3 Å²	98.3	52%	0.517	52%	0.52	S	S	.	.			trans	51.1	96.9	168.9	170.5	0	0	0	0	114.3	F26 A30 R86	F26-S28 PolarHBondContact O-N 3.13Å; S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 3Å; S28-R86 PolarHBondContact O-NH1 3.14Å
29	Y	66	Low	73.6	Confident	137 Å²	137	92.4 Å²	92.4	54%	0.537	49%	0.489	S	S	.	.			trans	-58.8	100.3	148.5	-73.2	-87.5	0	0	0	106.7	I90	Y29-I90 HydrophobicContact CD1-CG1 3.93Å; Y29-I90 HydrophobicContact CE1-CD1 3.89Å; Y29-I90 HydrophobicContact CE1-CG1 3.53Å
30	A	79	Confident	74.6	Confident	32 Å²	32	88.1 Å²	88.1	26%	0.264	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-69.5	161.1	165.3	0	0	0	0	0	108.2	S28 V32 R86 G89	S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 3Å; A30-V32 PolarHBondContact O-N 3.34Å; A30-R86 VanDerWaalsContact CB-CZ 3.47Å; A30-R86 VanDerWaalsContact CB-NH1 3.27Å; A30-G89 PolarHBondContact N-O 3.46Å; A30-G89 WeakPolarHBondContact O-CA 3.41Å
31	Q	88.7	Confident	76.2	Confident	156 Å²	156	85.8 Å²	85.8	73%	0.729	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-54.9	129.7	168.9	-173.2	176.6	9.4	0	0	109.2	Q33	Q31-Q33 PolarHBondContact O-N 2.93Å
32	V	93.4	Very high	78.2	Confident	72 Å²	72	77.2 Å²	77.2	44%	0.436	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-62.8	124.8	176.5	179.3	0	0	0	0	108.5	A30 Y88	A30-V32 PolarHBondContact O-N 3.34Å; V32-Y88 HydrophobicContact CG1-CD1 3.78Å; V32-Y88 HydrophobicContact CG1-CE1 4.37Å; V32-Y88 HydrophobicContact CG1-CG 4.38Å; V32-Y88 HydrophobicContact CG2-CD1 4.45Å
33	Q	94.9	Very high	80.3	Confident	66 Å²	66	79.5 Å²	79.5	31%	0.308	42%	0.416	S	S	.	.			trans	-119.4	135.6	174.8	-64.8	-64.4	-21.4	0	0	109.2	Q31 D65 E66 R263	Q31-Q33 PolarHBondContact O-N 2.93Å; Q33-D65 HydrophobicContact CB-CB 4.37Å; Q33-D65 VanDerWaalsContact O-CA 3.29Å; Q33-D65 WeakPolarHBondContact O-CA 3.49Å; Q33-D65 VanDerWaalsContact O-CB 3.32Å; Q33-D65 WeakPolarHBondContact O-CB 3.31Å; Q33-D65 VanDerWaalsContact O-CG 3.24Å; Q33-E66 HydrophobicContact CB-CG 3.5Å; Q33-E66 VanDerWaalsContact CB-CG 3.5Å; Q33-E66 HydrophobicContact CG-CG 3.94Å; Q33-R263 PolarHBondContact O-NH2 3.33Å
34	P	96.3	Very high	82.6	Confident	87 Å²	87	76.1 Å²	76.1	57%	0.565	41%	0.406	S	S	*	.			trans	-65.5	157.9	175.8	29.2	-34.2	0	0	0	111.1	E66	P34-E66 WeakPolarHBondContact O-CA 3.16Å; P34-E66 PolarHBondContact O-N 3.39Å
35	P	97.7	Very high	84.8	Confident	28 Å²	28	75.9 Å²	75.9	18%	0.182	40%	0.403	C	S	.	.			trans	-60.2	153.3	166.4	-15	30.4	0	0	0	110	L37 R62 V64	P35-L37 VanDerWaalsContact C-N 3.34Å; P35-R62 VanDerWaalsContact CG-O 3.26Å; P35-R62 WeakPolarHBondContact CG-O 3.18Å; P35-V64 WeakPolarHBondContact CA-O 3.36Å; P35-V64 WeakPolarHBondContact CB-O 3.27Å
36	K	97.9	Very high	86.9	Confident	150 Å²	150	67.8 Å²	67.8	65%	0.652	37%	0.366	S	S	*	.	S	Bend	trans	-80.7	-18.4	175.6	-67.6	-179.2	179.3	-177.3	0	113.1	E66 S67	K36-E66 WeakPolarHBondContact CD-O 3.44Å; K36-E66 WeakPolarHBondContact CE-O 3.35Å; K36-E66 WeakPolarHBondContact CG-O 3.14Å; K36-S67 PolarHBondContact N-OG 3.26Å
37	L	97.4	Very high	88.6	Confident	64 Å²	64	68.2 Å²	68.2	34%	0.335	38%	0.375	S	S	.	.	S	Bend	trans	-107.8	141.8	-177.4	-57.2	177.6	0	0	0	109.8	P35 A61 R62	P35-L37 VanDerWaalsContact C-N 3.34Å; L37-A61 HydrophobicContact CD1-CB 3.73Å; L37-R62 HydrophobicContact CB-CG 3.64Å; L37-R62 HydrophobicContact CD1-CG 4.45Å
38	P	96.8	Very high	90.4	Very high	64 Å²	64	71.4 Å²	71.4	42%	0.416	39%	0.388	S	S	.	.			trans	-65.1	140.4	179.5	25.9	-31.2	0	0	0	110.8	E40 R62	P38-E40 VanDerWaalsContact C-N 3.29Å; P38-E40 WeakPolarHBondContact CB-OE2 3.35Å; P38-R62 WeakPolarHBondContact O-CD 3.39Å; P38-R62 WeakPolarHBondContact O-CG 3.36Å; P38-R62 PolarHBondContact O-NE 3.09Å
39	V	95.8	Very high	91.9	Very high	29 Å²	29	70.2 Å²	70.2	18%	0.176	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-77	-22.5	-175.5	74.2	0	0	0	0	111.5	D41 L42 A260	V39-D41 PolarHBondContact O-N 2.93Å; V39-L42 HydrophobicContact CG2-CD1 3.74Å; V39-L42 HydrophobicContact CG2-CG 4.49Å; V39-L42 VanDerWaalsContact O-CB 3.26Å; V39-L42 WeakPolarHBondContact O-CB 3.23Å; V39-L42 WeakPolarHBondContact O-CD1 3.41Å; V39-L42 WeakPolarHBondContact O-CG 3.38Å; V39-L42 PolarHBondContact O-N 3.33Å; V39-L42 VanDerWaalsContact O-N 3.17Å; V39-A260 HydrophobicContact CG1-CB 4.12Å; V39-A260 WeakPolarHBondContact CG2-O 3.42Å
40	E	95.9	Very high	92.8	Very high	110 Å²	110	66 Å²	66	51%	0.514	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-67.4	-24.9	179.5	-58.5	75.7	-165.7	0	0	112.2	P38 L42 Y43	P38-E40 VanDerWaalsContact C-N 3.29Å; P38-E40 WeakPolarHBondContact CB-OE2 3.35Å; E40-L42 PolarHBondContact O-N 2.95Å; E40-L42 VanDerWaalsContact O-N 3.1Å; E40-Y43 HydrophobicContact CB-CD2 4.49Å; E40-Y43 HydrophobicContact CB-CE2 4.35Å; E40-Y43 WeakPolarHBondContact O-CD2 3.43Å; E40-Y43 PolarHBondContact O-N 3.41Å
41	D	96.4	Very high	93	Very high	68 Å²	68	70.6 Å²	70.6	36%	0.364	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-59.2	-21.3	173.1	-79.6	0.1	0	0	0	112.7	V39 Y43 G44 I45 R62	V39-D41 PolarHBondContact O-N 2.93Å; D41-Y43 PolarHBondContact O-N 3.37Å; D41-Y43 VanDerWaalsContact O-N 3.15Å; D41-G44 PolarHBondContact O-N 2.95Å; D41-I45 HydrophobicContact CB-CD1 4.14Å; D41-I45 WeakPolarHBondContact O-CD1 3.29Å; D41-I45 WeakPolarHBondContact O-CG1 3.24Å; D41-I45 PolarHBondContact O-N 3.47Å; D41-I45 VanDerWaalsContact O-N 3.13Å; D41-R62 IonicContact OD2-CZ 2.77Å; D41-R62 IonicContact OD2-NE 3.2Å; D41-R62 PolarHBondContact OD2-NE 2.63Å; D41-R62 IonicContact OD2-NH2 3.03Å; D41-R62 PolarHBondContact OD2-NH2 2.64Å
42	L	96.3	Very high	92.9	Very high	1 Å²	1	70 Å²	70	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-56.1	-31.1	177.7	-69.4	178.6	0	0	0	112.1	V39 E40 G44 I45 V46 V59 R62 W190 P259	V39-L42 HydrophobicContact CG2-CD1 3.74Å; V39-L42 HydrophobicContact CG2-CG 4.49Å; V39-L42 VanDerWaalsContact O-CB 3.26Å; V39-L42 WeakPolarHBondContact O-CB 3.23Å; V39-L42 WeakPolarHBondContact O-CD1 3.41Å; V39-L42 WeakPolarHBondContact O-CG 3.38Å; V39-L42 PolarHBondContact O-N 3.33Å; V39-L42 VanDerWaalsContact O-N 3.17Å; E40-L42 PolarHBondContact O-N 2.95Å; E40-L42 VanDerWaalsContact O-N 3.1Å; L42-G44 VanDerWaalsContact C-N 3.31Å; L42-G44 PolarHBondContact O-N 3.48Å; L42-I45 HydrophobicContact CD2-CD1 4.46Å; L42-I45 PolarHBondContact O-N 2.95Å; L42-V46 PolarHBondContact O-N 3.3Å; L42-V59 HydrophobicContact CD2-CB 4.12Å; L42-V59 HydrophobicContact CD2-CG1 3.95Å; L42-V59 HydrophobicContact CD2-CG2 4.09Å; L42-R62 HydrophobicContact CD2-CB 4.05Å; L42-R62 HydrophobicContact CG-CB 4.28Å; L42-W190 HydrophobicContact CB-CH2 4.19Å; L42-W190 HydrophobicContact CD1-CH2 4.17Å; L42-W190 HydrophobicContact CD1-CZ2 4.12Å; L42-W190 HydrophobicContact CD2-CH2 4.24Å; L42-W190 HydrophobicContact CG-CH2 4.44Å; L42-P259 HydrophobicContact CB-CB 4.25Å; L42-P259 VanDerWaalsContact CD1-O 3.32Å; L42-P259 WeakPolarHBondContact CD1-O 3.31Å
43	Y	96.1	Very high	92.8	Very high	113 Å²	113	72.9 Å²	72.9	44%	0.443	40%	0.4	S	S	.	.	H	α-helix	trans	-59.5	-41.2	174.9	-57.2	-42.5	0	0	0	112.1	E40 D41 G47 D258 P259 A260	E40-Y43 HydrophobicContact CB-CD2 4.49Å; E40-Y43 HydrophobicContact CB-CE2 4.35Å; E40-Y43 WeakPolarHBondContact O-CD2 3.43Å; E40-Y43 PolarHBondContact O-N 3.41Å; D41-Y43 PolarHBondContact O-N 3.37Å; D41-Y43 VanDerWaalsContact O-N 3.15Å; Y43-G47 WeakPolarHBondContact O-CA 3.47Å; Y43-G47 PolarHBondContact O-N 3.43Å; Y43-D258 WeakPolarHBondContact CE1-OD1 3.32Å; Y43-D258 VanDerWaalsContact OH-CG 3.26Å; Y43-D258 PolarHBondContact OH-OD1 3.41Å; Y43-D258 PolarHBondContact OH-OD2 3.14Å; Y43-P259 HydrophobicContact CD1-CB 4.18Å; Y43-P259 HydrophobicContact CD1-CG 4.31Å; Y43-P259 HydrophobicContact CE1-CB 4.05Å; Y43-P259 HydrophobicContact CE1-CG 4.22Å; Y43-A260 HydrophobicContact CE1-CB 4.31Å; Y43-A260 HydrophobicContact CE2-CB 4.41Å; Y43-A260 WeakPolarHBondContact OH-CB 3.37Å
44	G	93.9	Very high	92.8	Very high	51 Å²	51	71.2 Å²	71.2	53%	0.526	39%	0.392	S	S	.	.	H	α-helix	trans	-84	-25	-177.7	0	0	0	0	0	114.6	D41 L42 R52	D41-G44 PolarHBondContact O-N 2.95Å; L42-G44 VanDerWaalsContact C-N 3.31Å; L42-G44 PolarHBondContact O-N 3.48Å; G44-R52 PolarHBondContact O-NH1 3.28Å
45	I	93.9	Very high	92.9	Very high	24 Å²	24	70.6 Å²	70.6	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-74.3	-56.6	-178.4	-68.7	159.2	0	0	0	110.8	D41 L42 F54 E58 V59	D41-I45 HydrophobicContact CB-CD1 4.14Å; D41-I45 WeakPolarHBondContact O-CD1 3.29Å; D41-I45 WeakPolarHBondContact O-CG1 3.24Å; D41-I45 PolarHBondContact O-N 3.47Å; D41-I45 VanDerWaalsContact O-N 3.13Å; L42-I45 HydrophobicContact CD2-CD1 4.46Å; L42-I45 PolarHBondContact O-N 2.95Å; I45-F54 HydrophobicContact CG2-CB 4.22Å; I45-F54 HydrophobicContact CG2-CD2 4.1Å; I45-F54 HydrophobicContact CG2-CG 4.34Å; I45-E58 HydrophobicContact CD1-CB 4.06Å; I45-E58 HydrophobicContact CG2-CB 4.02Å; I45-V59 HydrophobicContact CG2-CG2 4.19Å
46	V	91.8	Very high	92.9	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.03	38%	0.375	C	S	.	.	H	α-helix	trans	-84.5	-41.7	-176.1	179.5	0	0	0	0	110.5	L42 F54 V59 I166 W190	L42-V46 PolarHBondContact O-N 3.3Å; V46-F54 HydrophobicContact CB-CE1 4.25Å; V46-F54 HydrophobicContact CB-CZ 4.37Å; V46-F54 HydrophobicContact CG1-CE1 3.86Å; V46-F54 HydrophobicContact CG1-CZ 4.08Å; V46-F54 HydrophobicContact CG2-CD1 4.43Å; V46-F54 HydrophobicContact CG2-CD2 4.23Å; V46-F54 HydrophobicContact CG2-CE1 4.01Å; V46-F54 HydrophobicContact CG2-CE2 3.81Å; V46-F54 HydrophobicContact CG2-CZ 3.68Å; V46-V59 HydrophobicContact CG2-CG2 3.78Å; V46-I166 WeakPolarHBondContact CG1-O 3.42Å; V46-W190 HydrophobicContact CB-CE3 4.45Å; V46-W190 HydrophobicContact CB-CZ3 3.74Å; V46-W190 HydrophobicContact CG1-CE3 4.23Å; V46-W190 HydrophobicContact CG1-CZ3 3.96Å; V46-W190 HydrophobicContact CG2-CE3 4.49Å; V46-W190 HydrophobicContact CG2-CH2 4.08Å; V46-W190 HydrophobicContact CG2-CZ3 3.48Å; V46-W190 VanDerWaalsContact CG2-CZ3 3.48Å
47	G	88	Confident	92.9	Very high	26 Å²	26	63.7 Å²	63.7	27%	0.268	35%	0.354	S	S	.	.			trans	63.5	-163	-177.6	0	0	0	0	0	113.4	Y43	Y43-G47 WeakPolarHBondContact O-CA 3.47Å; Y43-G47 PolarHBondContact O-N 3.43Å
48	D	86.8	Confident	92.9	Very high	142 Å²	142	64.5 Å²	64.5	76%	0.759	36%	0.356	S	S	*	.	S	Bend	trans	-95.9	-24.4	179	59.3	-7.8	0	0	0	113.1	L50	D48-L50 PolarHBondContact O-N 3.42Å
49	S	86.8	Confident	93	Very high	49 Å²	49	61.4 Å²	61.4	34%	0.343	34%	0.336	S	S	.	.			trans	-84.4	111.9	-178.1	-176.5	0	0	0	0	112.9	T51 R52	S49-T51 PolarHBondContact O-N 2.95Å; S49-T51 PolarHBondContact OG-N 3.48Å; S49-T51 PolarHBondContact OG-OG1 3.02Å; S49-R52 PolarHBondContact O-N 3.03Å
50	L	84.8	Confident	93.1	Very high	49 Å²	49	60.1 Å²	60.1	26%	0.257	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.6	173.8	-64.3	173.7	0	0	0	114.4	D48 G167 K194	D48-L50 PolarHBondContact O-N 3.42Å; L50-G167 VanDerWaalsContact CD2-CA 3.43Å; L50-K194 HydrophobicContact CD1-CB 3.77Å; L50-K194 HydrophobicContact CD1-CD 3.56Å; L50-K194 HydrophobicContact CD1-CG 3.65Å
51	T	83.3	Confident	93.2	Very high	129 Å²	129	55.7 Å²	55.7	79%	0.791	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.6	176.3	62.8	0	0	0	0	112.9	S49 T53	S49-T51 PolarHBondContact O-N 2.95Å; S49-T51 PolarHBondContact OG-N 3.48Å; S49-T51 PolarHBondContact OG-OG1 3.02Å; T51-T53 PolarHBondContact O-N 2.96Å
52	R	87.2	Confident	93.3	Very high	142 Å²	142	53.4 Å²	53.4	54%	0.536	30%	0.297	S	S	.	.	S	Bend	trans	-74.3	125.6	177.6	-174.6	178.4	178.7	-160.3	-3.1	109.2	G44 S49	G44-R52 PolarHBondContact O-NH1 3.28Å; S49-R52 PolarHBondContact O-N 3.03Å
53	T	91.2	Very high	93.4	Very high	133 Å²	133	53.5 Å²	53.5	82%	0.816	30%	0.297	S	S	*	.			trans	-77.7	142.2	169.6	53.4	0	0	0	0	109.8	T51	T51-T53 PolarHBondContact O-N 2.96Å
54	F	95.3	Very high	93.5	Very high	32 Å²	32	48.1 Å²	48.1	14%	0.14	28%	0.276	C	S	.	.			trans	-144.2	159.3	172.4	62.6	-91.8	0	0	0	108.3	I45 V46 I56 V59 N98 N128 I166	I45-F54 HydrophobicContact CG2-CB 4.22Å; I45-F54 HydrophobicContact CG2-CD2 4.1Å; I45-F54 HydrophobicContact CG2-CG 4.34Å; V46-F54 HydrophobicContact CB-CE1 4.25Å; V46-F54 HydrophobicContact CB-CZ 4.37Å; V46-F54 HydrophobicContact CG1-CE1 3.86Å; V46-F54 HydrophobicContact CG1-CZ 4.08Å; V46-F54 HydrophobicContact CG2-CD1 4.43Å; V46-F54 HydrophobicContact CG2-CD2 4.23Å; V46-F54 HydrophobicContact CG2-CE1 4.01Å; V46-F54 HydrophobicContact CG2-CE2 3.81Å; V46-F54 HydrophobicContact CG2-CZ 3.68Å; F54-I56 HydrophobicContact CE2-CD1 4.07Å; F54-V59 HydrophobicContact CD2-CG2 4.31Å; F54-V59 HydrophobicContact CE2-CG2 3.88Å; F54-N98 PolarHBondContact O-OD1 3.5Å; F54-N98 VanDerWaalsContact O-OD1 3.14Å; F54-N128 VanDerWaalsContact CE1-ND2 3.3Å; F54-N128 WeakPolarHBondContact CE1-ND2 3.22Å; F54-N128 WeakPolarHBondContact CZ-ND2 3.45Å; F54-I166 HydrophobicContact CE2-CD1 4.16Å; F54-I166 HydrophobicContact CZ-CD1 3.95Å
55	D	96.8	Very high	93.6	Very high	73 Å²	73	46 Å²	46	39%	0.39	25%	0.253	S	S	.	.			trans	-82.3	118.7	174	-169.1	-23	0	0	0	109.8	T57 E58 N98	D55-T57 PolarHBondContact O-N 2.99Å; D55-T57 VanDerWaalsContact O-N 3.15Å; D55-T57 WeakPolarHBondContact OD1-CB 3.38Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.43Å; D55-T57 PolarHBondContact OD1-N 3.02Å; D55-T57 PolarHBondContact OD1-OG1 3.33Å; D55-T57 PolarHBondContact OD2-OG1 3.22Å; D55-E58 HydrophobicContact CB-CG 4.28Å; D55-E58 WeakPolarHBondContact O-CB 3.43Å; D55-E58 PolarHBondContact O-N 3.34Å; D55-E58 VanDerWaalsContact O-N 3.08Å; D55-N98 WeakPolarHBondContact CA-OD1 3.42Å
56	I	97.7	Very high	93.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-24.5	178.4	-168.5	58.7	0	0	0	112.9	F54 E58 V59 I60 V81 N98 L126 I166	F54-I56 HydrophobicContact CE2-CD1 4.07Å; I56-E58 PolarHBondContact O-N 3.27Å; I56-V59 HydrophobicContact CD1-CB 4.2Å; I56-V59 HydrophobicContact CD1-CG2 4.34Å; I56-V59 WeakPolarHBondContact O-CB 3.39Å; I56-V59 PolarHBondContact O-N 3Å; I56-V59 VanDerWaalsContact O-N 3.12Å; I56-I60 WeakPolarHBondContact O-CG1 3.39Å; I56-I60 PolarHBondContact O-N 3.45Å; I56-I60 VanDerWaalsContact O-N 3.07Å; I56-V81 HydrophobicContact CG2-CB 3.59Å; I56-V81 HydrophobicContact CG2-CG1 4.2Å; I56-V81 HydrophobicContact CG2-CG2 3.42Å; I56-V81 VanDerWaalsContact CG2-CG2 3.42Å; I56-N98 HydrophobicContact CB-CB 4.45Å; I56-N98 HydrophobicContact CG2-CB 3.78Å; I56-N98 PolarHBondContact N-OD1 3.25Å; I56-L126 HydrophobicContact CD1-CB 4.16Å; I56-L126 HydrophobicContact CD1-CD1 4.06Å; I56-L126 HydrophobicContact CG1-CD1 4.3Å; I56-I166 HydrophobicContact CD1-CD1 3.28Å
57	T	97.9	Very high	94.1	Very high	34 Å²	34	49.1 Å²	49.1	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-27.8	177.2	63.7	0	0	0	0	112.3	D55 V59 I60 A61 E71 V81	D55-T57 PolarHBondContact O-N 2.99Å; D55-T57 VanDerWaalsContact O-N 3.15Å; D55-T57 WeakPolarHBondContact OD1-CB 3.38Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.43Å; D55-T57 PolarHBondContact OD1-N 3.02Å; D55-T57 PolarHBondContact OD1-OG1 3.33Å; D55-T57 PolarHBondContact OD2-OG1 3.22Å; T57-V59 VanDerWaalsContact C-N 3.3Å; T57-V59 PolarHBondContact O-N 3.42Å; T57-I60 PolarHBondContact O-N 2.99Å; T57-A61 WeakPolarHBondContact O-CB 3.19Å; T57-A61 PolarHBondContact O-N 3.47Å; T57-E71 WeakPolarHBondContact CG2-OE1 3.46Å; T57-V81 HydrophobicContact CG2-CG1 4.15Å; T57-V81 HydrophobicContact CG2-CG2 4.33Å
58	E	98	Very high	94.6	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-34.7	173.9	-69.2	-63.7	145.3	0	0	112	I45 D55 I56 R62	I45-E58 HydrophobicContact CD1-CB 4.06Å; I45-E58 HydrophobicContact CG2-CB 4.02Å; D55-E58 HydrophobicContact CB-CG 4.28Å; D55-E58 WeakPolarHBondContact O-CB 3.43Å; D55-E58 PolarHBondContact O-N 3.34Å; D55-E58 VanDerWaalsContact O-N 3.08Å; I56-E58 PolarHBondContact O-N 3.27Å; E58-R62 PolarHBondContact O-NH1 3.13Å; E58-R62 IonicContact OE2-CZ 2.95Å; E58-R62 IonicContact OE2-NH1 2.63Å; E58-R62 PolarHBondContact OE2-NH1 3.13Å; E58-R62 IonicContact OE2-NH2 3.7Å
59	V	98.2	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.2	-46.6	173.2	177.8	0	0	0	0	110	L42 I45 V46 F54 I56 T57 A61 R62 I63 L126 I166 W190	L42-V59 HydrophobicContact CD2-CB 4.12Å; L42-V59 HydrophobicContact CD2-CG1 3.95Å; L42-V59 HydrophobicContact CD2-CG2 4.09Å; I45-V59 HydrophobicContact CG2-CG2 4.19Å; V46-V59 HydrophobicContact CG2-CG2 3.78Å; F54-V59 HydrophobicContact CD2-CG2 4.31Å; F54-V59 HydrophobicContact CE2-CG2 3.88Å; I56-V59 HydrophobicContact CD1-CB 4.2Å; I56-V59 HydrophobicContact CD1-CG2 4.34Å; I56-V59 WeakPolarHBondContact O-CB 3.39Å; I56-V59 PolarHBondContact O-N 3Å; I56-V59 VanDerWaalsContact O-N 3.12Å; T57-V59 VanDerWaalsContact C-N 3.3Å; T57-V59 PolarHBondContact O-N 3.42Å; V59-A61 VanDerWaalsContact C-N 3.33Å; V59-A61 PolarHBondContact O-N 3.37Å; V59-R62 PolarHBondContact O-N 2.85Å; V59-I63 HydrophobicContact CG1-CD1 3.73Å; V59-I63 WeakPolarHBondContact O-CG1 3.43Å; V59-I63 PolarHBondContact O-N 2.95Å; V59-L126 HydrophobicContact CG1-CD1 4.44Å; V59-I166 HydrophobicContact CG2-CD1 4.46Å; V59-W190 HydrophobicContact CG1-CH2 4.24Å
60	I	98.6	Very high	95.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-46.7	179.4	-65.5	171.5	0	0	0	110.6	I56 T57 R62 I63 V64 F69 V81 I94 L126	I56-I60 WeakPolarHBondContact O-CG1 3.39Å; I56-I60 PolarHBondContact O-N 3.45Å; I56-I60 VanDerWaalsContact O-N 3.07Å; T57-I60 PolarHBondContact O-N 2.99Å; I60-R62 PolarHBondContact O-N 3.19Å; I60-R62 VanDerWaalsContact O-N 3.12Å; I60-I63 PolarHBondContact O-N 3.47Å; I60-V64 HydrophobicContact CG2-CG1 3.85Å; I60-V64 HydrophobicContact CG2-CG2 4.27Å; I60-V64 WeakPolarHBondContact O-CG1 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 2.97Å; I60-F69 HydrophobicContact CD1-CE1 3.98Å; I60-F69 HydrophobicContact CD1-CE2 4.3Å; I60-F69 HydrophobicContact CD1-CZ 3.85Å; I60-F69 HydrophobicContact CG2-CB 4.08Å; I60-F69 HydrophobicContact CG2-CD1 4.26Å; I60-F69 HydrophobicContact CG2-CD2 3.8Å; I60-F69 HydrophobicContact CG2-CE2 4.21Å; I60-F69 HydrophobicContact CG2-CG 3.8Å; I60-V81 HydrophobicContact CD1-CG1 3.94Å; I60-I94 HydrophobicContact CD1-CG2 3.9Å; I60-I94 HydrophobicContact CG1-CG2 4.12Å; I60-I94 HydrophobicContact CG2-CD1 3.9Å; I60-L126 HydrophobicContact CD1-CD1 4.49Å; I60-L126 HydrophobicContact CG1-CD1 3.78Å
61	A	98.3	Very high	96.3	Very high	17 Å²	17	53.2 Å²	53.2	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-26.3	-178.2	0	0	0	0	0	113.5	L37 T57 V59 S67	L37-A61 HydrophobicContact CD1-CB 3.73Å; T57-A61 WeakPolarHBondContact O-CB 3.19Å; T57-A61 PolarHBondContact O-N 3.47Å; V59-A61 VanDerWaalsContact C-N 3.33Å; V59-A61 PolarHBondContact O-N 3.37Å; A61-S67 WeakPolarHBondContact O-CA 3.16Å; A61-S67 WeakPolarHBondContact O-CB 3.48Å; A61-S67 PolarHBondContact O-OG 3.07Å
62	R	98.3	Very high	97.1	Very high	20 Å²	20	48.6 Å²	48.6	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-91.4	-13	178.9	-73.1	165.9	177.8	83.1	-4	113.9	P35 L37 P38 D41 L42 E58 V59 I60	P35-R62 VanDerWaalsContact CG-O 3.26Å; P35-R62 WeakPolarHBondContact CG-O 3.18Å; L37-R62 HydrophobicContact CB-CG 3.64Å; L37-R62 HydrophobicContact CD1-CG 4.45Å; P38-R62 WeakPolarHBondContact O-CD 3.39Å; P38-R62 WeakPolarHBondContact O-CG 3.36Å; P38-R62 PolarHBondContact O-NE 3.09Å; D41-R62 IonicContact OD2-CZ 2.77Å; D41-R62 IonicContact OD2-NE 3.2Å; D41-R62 PolarHBondContact OD2-NE 2.63Å; D41-R62 IonicContact OD2-NH2 3.03Å; D41-R62 PolarHBondContact OD2-NH2 2.64Å; L42-R62 HydrophobicContact CD2-CB 4.05Å; L42-R62 HydrophobicContact CG-CB 4.28Å; E58-R62 PolarHBondContact O-NH1 3.13Å; E58-R62 IonicContact OE2-CZ 2.95Å; E58-R62 IonicContact OE2-NH1 2.63Å; E58-R62 PolarHBondContact OE2-NH1 3.13Å; E58-R62 IonicContact OE2-NH2 3.7Å; V59-R62 PolarHBondContact O-N 2.85Å; I60-R62 PolarHBondContact O-N 3.19Å; I60-R62 VanDerWaalsContact O-N 3.12Å
63	I	98	Very high	97.6	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-99.7	-35.8	-179.4	-65.9	174	0	0	0	111.3	V59 I60 L87 R263 L266	V59-I63 HydrophobicContact CG1-CD1 3.73Å; V59-I63 WeakPolarHBondContact O-CG1 3.43Å; V59-I63 PolarHBondContact O-N 2.95Å; I60-I63 PolarHBondContact O-N 3.47Å; I63-L87 HydrophobicContact CG2-CD1 3.96Å; I63-L87 WeakPolarHBondContact O-CD1 3.38Å; I63-R263 HydrophobicContact CG2-CB 4.45Å; I63-R263 WeakPolarHBondContact O-CD 3.28Å; I63-R263 PolarHBondContact O-NH1 2.9Å; I63-L266 HydrophobicContact CG2-CD1 4.25Å
64	V	98.1	Very high	97.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.207	C	C	.	.	S	Bend	trans	-89.9	154.4	-171	-55.7	0	0	0	0	113.7	P35 I60 E66 S67 K68 A85 R86 I94 R263	P35-V64 WeakPolarHBondContact CA-O 3.36Å; P35-V64 WeakPolarHBondContact CB-O 3.27Å; I60-V64 HydrophobicContact CG2-CG1 3.85Å; I60-V64 HydrophobicContact CG2-CG2 4.27Å; I60-V64 WeakPolarHBondContact O-CG1 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 2.97Å; V64-E66 PolarHBondContact O-N 3.42Å; V64-S67 PolarHBondContact O-N 3.17Å; V64-S67 VanDerWaalsContact O-N 3.16Å; V64-K68 WeakPolarHBondContact CG2-O 3.26Å; V64-A85 HydrophobicContact CB-CB 3.77Å; V64-A85 HydrophobicContact CG1-CB 3.51Å; V64-A85 HydrophobicContact CG2-CB 4.19Å; V64-R86 WeakPolarHBondContact CA-O 3.47Å; V64-R86 WeakPolarHBondContact CB-O 3.44Å; V64-I94 HydrophobicContact CG1-CD1 3.46Å; V64-I94 VanDerWaalsContact CG1-CD1 3.46Å; V64-R263 VanDerWaalsContact C-NH1 3.32Å
65	D	97.5	Very high	98	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.8	134.7	178.9	-66	8.3	0	0	0	111.1	Q33 S67 K68 R86 Y88 G89 R263	Q33-D65 HydrophobicContact CB-CB 4.37Å; Q33-D65 VanDerWaalsContact O-CA 3.29Å; Q33-D65 WeakPolarHBondContact O-CA 3.49Å; Q33-D65 VanDerWaalsContact O-CB 3.32Å; Q33-D65 WeakPolarHBondContact O-CB 3.31Å; Q33-D65 VanDerWaalsContact O-CG 3.24Å; D65-S67 PolarHBondContact O-N 2.92Å; D65-K68 PolarHBondContact O-N 2.62Å; D65-K68 VanDerWaalsContact O-N 3.07Å; D65-R86 HydrophobicContact CB-CB 3.99Å; D65-R86 PolarHBondContact N-O 2.99Å; D65-Y88 PolarHBondContact OD1-N 2.76Å; D65-Y88 PolarHBondContact OD2-N 3.45Å; D65-G89 PolarHBondContact OD2-N 3.25Å; D65-R263 IonicContact OD1-CZ 3.49Å; D65-R263 IonicContact OD1-NH1 2.84Å; D65-R263 PolarHBondContact OD1-NH1 3.25Å; D65-R263 IonicContact OD1-NH2 3.68Å; D65-R263 PolarHBondContact OD1-NH2 3.1Å
66	E	97.5	Very high	98.1	Very high	67 Å²	67	52.5 Å²	52.5	31%	0.313	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	54.8	12.5	-176.4	-58.7	-171.9	74	0	0	115.5	Q33 P34 K36 V64 K68	Q33-E66 HydrophobicContact CB-CG 3.5Å; Q33-E66 VanDerWaalsContact CB-CG 3.5Å; Q33-E66 HydrophobicContact CG-CG 3.94Å; P34-E66 WeakPolarHBondContact O-CA 3.16Å; P34-E66 PolarHBondContact O-N 3.39Å; K36-E66 WeakPolarHBondContact CD-O 3.44Å; K36-E66 WeakPolarHBondContact CE-O 3.35Å; K36-E66 WeakPolarHBondContact CG-O 3.14Å; V64-E66 PolarHBondContact O-N 3.42Å; E66-K68 HydrophobicContact CB-CB 4.42Å; E66-K68 HydrophobicContact CB-CD 3.9Å; E66-K68 HydrophobicContact CB-CG 3.83Å; E66-K68 VanDerWaalsContact CD-CE 3.5Å; E66-K68 PolarHBondContact O-N 3.23Å; E66-K68 VanDerWaalsContact O-N 3.16Å; E66-K68 VanDerWaalsContact OE1-CE 3.23Å; E66-K68 WeakPolarHBondContact OE1-CE 3.21Å; E66-K68 IonicContact OE1-NZ 2.73Å; E66-K68 PolarHBondContact OE1-NZ 3.44Å; E66-K68 WeakPolarHBondContact OE2-CE 3.46Å; E66-K68 IonicContact OE2-NZ 2.72Å; E66-K68 PolarHBondContact OE2-NZ 2.89Å
67	S	98.1	Very high	98.1	Very high	27 Å²	27	53.2 Å²	53.2	19%	0.189	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	54.3	25.5	-168.5	-54.3	0	0	0	0	113	K36 A61 V64 D65	K36-S67 PolarHBondContact N-OG 3.26Å; A61-S67 WeakPolarHBondContact O-CA 3.16Å; A61-S67 WeakPolarHBondContact O-CB 3.48Å; A61-S67 PolarHBondContact O-OG 3.07Å; V64-S67 PolarHBondContact O-N 3.17Å; V64-S67 VanDerWaalsContact O-N 3.16Å; D65-S67 PolarHBondContact O-N 2.92Å
68	K	97.9	Very high	98.1	Very high	112 Å²	112	55.6 Å²	55.6	49%	0.487	26%	0.258	S	S	.	.			trans	-90.3	122.4	-179	-74.4	178.9	-174.3	165	0	110.7	V64 D65 E66 A85	V64-K68 WeakPolarHBondContact CG2-O 3.26Å; D65-K68 PolarHBondContact O-N 2.62Å; D65-K68 VanDerWaalsContact O-N 3.07Å; E66-K68 HydrophobicContact CB-CB 4.42Å; E66-K68 HydrophobicContact CB-CD 3.9Å; E66-K68 HydrophobicContact CB-CG 3.83Å; E66-K68 VanDerWaalsContact CD-CE 3.5Å; E66-K68 PolarHBondContact O-N 3.23Å; E66-K68 VanDerWaalsContact O-N 3.16Å; E66-K68 VanDerWaalsContact OE1-CE 3.23Å; E66-K68 WeakPolarHBondContact OE1-CE 3.21Å; E66-K68 IonicContact OE1-NZ 2.73Å; E66-K68 PolarHBondContact OE1-NZ 3.44Å; E66-K68 WeakPolarHBondContact OE2-CE 3.46Å; E66-K68 IonicContact OE2-NZ 2.72Å; E66-K68 PolarHBondContact OE2-NZ 2.89Å; K68-A85 WeakPolarHBondContact O-CB 3.44Å
69	F	98.4	Very high	98.1	Very high	48 Å²	48	52.9 Å²	52.9	21%	0.211	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	123	177.3	-177.9	-123.8	0	0	0	109.9	I60 E71 V81 G83 A85 I94	I60-F69 HydrophobicContact CD1-CE1 3.98Å; I60-F69 HydrophobicContact CD1-CE2 4.3Å; I60-F69 HydrophobicContact CD1-CZ 3.85Å; I60-F69 HydrophobicContact CG2-CB 4.08Å; I60-F69 HydrophobicContact CG2-CD1 4.26Å; I60-F69 HydrophobicContact CG2-CD2 3.8Å; I60-F69 HydrophobicContact CG2-CE2 4.21Å; I60-F69 HydrophobicContact CG2-CG 3.8Å; F69-E71 HydrophobicContact CD1-CB 4.29Å; F69-E71 HydrophobicContact CD1-CG 4.32Å; F69-E71 HydrophobicContact CE1-CB 4.06Å; F69-E71 HydrophobicContact CE1-CG 3.66Å; F69-E71 HydrophobicContact CZ-CG 4.37Å; F69-V81 HydrophobicContact CE1-CG1 3.47Å; F69-V81 VanDerWaalsContact CE1-CG1 3.47Å; F69-V81 HydrophobicContact CZ-CG1 3.69Å; F69-G83 WeakPolarHBondContact CE2-O 3.5Å; F69-G83 VanDerWaalsContact CZ-CA 3.43Å; F69-A85 HydrophobicContact CD2-CB 4.08Å; F69-I94 HydrophobicContact CE2-CB 4.03Å; F69-I94 HydrophobicContact CE2-CD1 4.35Å
70	F	98.2	Very high	98.1	Very high	150 Å²	150	52.9 Å²	52.9	66%	0.658	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	102.1	175.9	-178.2	-95.7	0	0	0	109.5	F72 G83 F84	F70-F72 PolarHBondContact O-N 3.22Å; F70-G83 CarbonylContact O-C 3.57Å; F70-G83 WeakPolarHBondContact O-CA 3.37Å; F70-F84 HydrophobicContact CD1-CD2 4.38Å; F70-F84 PolarHBondContact N-O 3.41Å; F70-F84 PolarHBondContact O-N 2.86Å
71	E	98.6	Very high	98.1	Very high	41 Å²	41	53.1 Å²	53.1	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124	-171	-150.5	170.2	-118.7	0	0	111.8	T57 F69 Q74 V81 C82	T57-E71 WeakPolarHBondContact CG2-OE1 3.46Å; F69-E71 HydrophobicContact CD1-CB 4.29Å; F69-E71 HydrophobicContact CD1-CG 4.32Å; F69-E71 HydrophobicContact CE1-CB 4.06Å; F69-E71 HydrophobicContact CE1-CG 3.66Å; F69-E71 HydrophobicContact CZ-CG 4.37Å; E71-Q74 HydrophobicContact CB-CB 4.24Å; E71-Q74 HydrophobicContact CG-CB 4.3Å; E71-Q74 VanDerWaalsContact OE2-CB 3.3Å; E71-Q74 WeakPolarHBondContact OE2-CB 3.26Å; E71-Q74 VanDerWaalsContact OE2-CD 3.3Å; E71-Q74 WeakPolarHBondContact OE2-CG 3.23Å; E71-Q74 PolarHBondContact OE2-NE2 3.19Å; E71-V81 HydrophobicContact CG-CG1 4.27Å; E71-V81 VanDerWaalsContact OE1-CG1 3.27Å; E71-V81 WeakPolarHBondContact OE1-CG1 3.11Å; E71-C82 CarbonylContact C-O 3.56Å; E71-C82 WeakPolarHBondContact CG-O 3.31Å
72	F	98.7	Very high	98.1	Very high	33 Å²	33	52.3 Å²	52.3	15%	0.145	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.5	175.4	170.5	-105.2	0	0	0	109.6	F70 Q74 C82 K108 H111 F112 L115	F70-F72 PolarHBondContact O-N 3.22Å; F72-Q74 VanDerWaalsContact C-N 3.26Å; F72-Q74 PolarHBondContact O-N 3.42Å; F72-C82 HydrophobicContact CB-CB 4.38Å; F72-C82 HydrophobicContact CD1-CB 4.15Å; F72-C82 PolarHBondContact N-O 3.15Å; F72-K108 HydrophobicContact CD1-CG 4.28Å; F72-K108 HydrophobicContact CE1-CG 4.25Å; F72-K108 WeakPolarHBondContact O-CE 3.31Å; F72-H111 HydrophobicContact CZ-CB 4.41Å; F72-H111 AromaticContact CZ-CE1 3.95Å; F72-H111 AromaticContact CZ-CG 3.88Å; F72-H111 AromaticContact CZ-ND1 3.69Å; F72-F112 HydrophobicContact CB-CD2 3.71Å; F72-F112 HydrophobicContact CB-CE2 3.86Å; F72-F112 HydrophobicContact CD1-CB 3.87Å; F72-F112 AromaticContact CD1-CD2 3.56Å; F72-F112 HydrophobicContact CD1-CD2 3.56Å; F72-F112 HydrophobicContact CD1-CG 4.08Å; F72-F112 HydrophobicContact CD2-CD2 4.49Å; F72-F112 HydrophobicContact CE1-CB 3.94Å; F72-F112 HydrophobicContact CE1-CD2 4.25Å; F72-F112 AromaticContact CG-CD2 3.67Å; F72-F112 HydrophobicContact CG-CD2 3.67Å; F72-F112 HydrophobicContact CG-CE2 4.29Å; F72-L115 HydrophobicContact CD2-CD1 4.12Å; F72-L115 HydrophobicContact CE2-CD1 3.65Å; F72-L115 HydrophobicContact CZ-CD1 3.95Å
73	K	98.3	Very high	98.2	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	47.8	-179.5	-75.5	-172.3	169.6	-167.5	0	111.7	Y75 Y76 K108	K73-Y75 PolarHBondContact O-N 2.92Å; K73-Y76 HydrophobicContact CD-CD1 3.84Å; K73-Y76 HydrophobicContact CD-CE1 4.45Å; K73-Y76 PolarHBondContact O-N 3.18Å; K73-Y76 VanDerWaalsContact O-N 3.1Å; K73-K108 HydrophobicContact CB-CD 3.88Å; K73-K108 HydrophobicContact CB-CG 4.15Å; K73-K108 HydrophobicContact CD-CB 4.25Å; K73-K108 HydrophobicContact CD-CG 4.16Å; K73-K108 WeakPolarHBondContact O-CE 3.2Å; K73-K108 PolarHBondContact O-NZ 3.47Å
74	Q	97.8	Very high	98.2	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-47	-178.8	170.1	159.9	26.3	0	0	112.8	E71 F72 Y76	E71-Q74 HydrophobicContact CB-CB 4.24Å; E71-Q74 HydrophobicContact CG-CB 4.3Å; E71-Q74 VanDerWaalsContact OE2-CB 3.3Å; E71-Q74 WeakPolarHBondContact OE2-CB 3.26Å; E71-Q74 VanDerWaalsContact OE2-CD 3.3Å; E71-Q74 WeakPolarHBondContact OE2-CG 3.23Å; E71-Q74 PolarHBondContact OE2-NE2 3.19Å; F72-Q74 VanDerWaalsContact C-N 3.26Å; F72-Q74 PolarHBondContact O-N 3.42Å; Q74-Y76 PolarHBondContact O-N 2.92Å
75	Y	97.9	Very high	98.2	Very high	204 Å²	204	53.1 Å²	53.1	80%	0.8	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	12.1	-175.2	-49.4	-67.4	0	0	0	115.2	K73	K73-Y75 PolarHBondContact O-N 2.92Å
76	Y	98.4	Very high	98.1	Very high	88 Å²	88	56.6 Å²	56.6	35%	0.345	26%	0.26	S	S	.	.	S	Bend	trans	-128.5	131.1	-178.9	176.7	-89.6	0	0	0	109.9	K73 Q74 E104 K108	K73-Y76 HydrophobicContact CD-CD1 3.84Å; K73-Y76 HydrophobicContact CD-CE1 4.45Å; K73-Y76 PolarHBondContact O-N 3.18Å; K73-Y76 VanDerWaalsContact O-N 3.1Å; Q74-Y76 PolarHBondContact O-N 2.92Å; Y76-E104 HydrophobicContact CD1-CB 4.31Å; Y76-E104 HydrophobicContact CE1-CB 3.7Å; Y76-E104 HydrophobicContact CE1-CG 4.43Å; Y76-E104 WeakPolarHBondContact CE1-O 3.37Å; Y76-E104 HydrophobicContact CE2-CB 3.93Å; Y76-E104 HydrophobicContact CE2-CG 3.82Å; Y76-E104 VanDerWaalsContact CZ-CB 3.46Å; Y76-E104 WeakPolarHBondContact OH-CA 3.06Å; Y76-K108 HydrophobicContact CD1-CB 4.13Å; Y76-K108 HydrophobicContact CE1-CB 4.26Å; Y76-K108 WeakPolarHBondContact O-CD 3.35Å; Y76-K108 PolarHBondContact O-NZ 3.48Å; Y76-K108 VanDerWaalsContact O-NZ 3.15Å
77	G	97.2	Very high	98.1	Very high	14 Å²	14	53.5 Å²	53.5	14%	0.144	25%	0.246	C	C	.	.	S	Bend	trans	53.3	57.4	-176.4	0	0	0	0	0	111.8	T79 L80 S105	G77-T79 PolarHBondContact O-N 3.23Å; G77-L80 PolarHBondContact O-N 3.25Å; G77-L80 VanDerWaalsContact O-N 3.13Å; G77-L80 VanDerWaalsContact O-O 3.09Å; G77-S105 WeakPolarHBondContact CA-OG 3.47Å
78	T	97.9	Very high	97.9	Very high	85 Å²	85	56.2 Å²	56.2	52%	0.521	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.3	-169.6	52.7	0	0	0	0	114.1	L80	T78-L80 PolarHBondContact O-N 2.84Å
79	T	97.9	Very high	97.7	Very high	23 Å²	23	50.9 Å²	50.9	14%	0.141	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.2	174.3	62.2	0	0	0	0	113.4	G77 N98 I100 F102 S105	G77-T79 PolarHBondContact O-N 3.23Å; T79-N98 PolarHBondContact O-N 2.84Å; T79-I100 WeakPolarHBondContact CB-O 3.03Å; T79-I100 PolarHBondContact OG1-O 2.88Å; T79-F102 HydrophobicContact CG2-CD2 4.03Å; T79-F102 HydrophobicContact CG2-CE2 3.94Å; T79-S105 PolarHBondContact OG1-OG 3.04Å
80	L	98.6	Very high	97.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.6	168.1	-167.3	75.5	0	0	0	109.5	G77 T78 I95 S105 K108 L150 M177	G77-L80 PolarHBondContact O-N 3.25Å; G77-L80 VanDerWaalsContact O-N 3.13Å; G77-L80 VanDerWaalsContact O-O 3.09Å; T78-L80 PolarHBondContact O-N 2.84Å; L80-I95 HydrophobicContact CD1-CG2 3.68Å; L80-I95 HydrophobicContact CD2-CG2 3.94Å; L80-I95 HydrophobicContact CG-CG2 3.86Å; L80-S105 VanDerWaalsContact CD2-O 3.22Å; L80-S105 WeakPolarHBondContact CD2-O 3.4Å; L80-K108 WeakPolarHBondContact O-CE 3.49Å; L80-K108 PolarHBondContact O-NZ 3.35Å; L80-L150 HydrophobicContact CD2-CD2 4.48Å; L80-M177 HydrophobicContact CD1-CE 3.92Å; L80-M177 HydrophobicContact CD1-SD 3.59Å; L80-M177 VanDerWaalsContact CD1-SD 3.59Å
81	V	98.8	Very high	97.3	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.8	176.3	169.1	0	0	0	0	108.5	I56 T57 I60 F69 E71 I95 G96 N98	I56-V81 HydrophobicContact CG2-CB 3.59Å; I56-V81 HydrophobicContact CG2-CG1 4.2Å; I56-V81 HydrophobicContact CG2-CG2 3.42Å; I56-V81 VanDerWaalsContact CG2-CG2 3.42Å; T57-V81 HydrophobicContact CG2-CG1 4.15Å; T57-V81 HydrophobicContact CG2-CG2 4.33Å; I60-V81 HydrophobicContact CD1-CG1 3.94Å; F69-V81 HydrophobicContact CE1-CG1 3.47Å; F69-V81 VanDerWaalsContact CE1-CG1 3.47Å; F69-V81 HydrophobicContact CZ-CG1 3.69Å; E71-V81 HydrophobicContact CG-CG1 4.27Å; E71-V81 VanDerWaalsContact OE1-CG1 3.27Å; E71-V81 WeakPolarHBondContact OE1-CG1 3.11Å; V81-I95 CarbonylContact O-C 3.48Å; V81-I95 WeakPolarHBondContact O-CA 3.46Å; V81-G96 PolarHBondContact N-O 3.2Å; V81-G96 PolarHBondContact O-N 3.1Å; V81-N98 HydrophobicContact CG2-CB 4.1Å
82	C	98.9	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.5	176.6	-63.5	0	0	0	0	108.5	E71 F72 I94 K108 F112	E71-C82 CarbonylContact C-O 3.56Å; E71-C82 WeakPolarHBondContact CG-O 3.31Å; F72-C82 HydrophobicContact CB-CB 4.38Å; F72-C82 HydrophobicContact CD1-CB 4.15Å; F72-C82 PolarHBondContact N-O 3.15Å; C82-I94 CarbonylContact C-O 3.51Å; C82-I94 VanDerWaalsContact CA-O 3.28Å; C82-I94 WeakPolarHBondContact CA-O 3.21Å; C82-K108 HydrophobicContact CB-CG 4.44Å; C82-F112 HydrophobicContact CB-CB 4.03Å; C82-F112 HydrophobicContact CB-CD1 3.8Å; C82-F112 HydrophobicContact CB-CD2 3.98Å; C82-F112 HydrophobicContact CB-CE1 4.26Å; C82-F112 HydrophobicContact CB-CE2 4.43Å; C82-F112 HydrophobicContact CB-CG 3.65Å
83	G	98.7	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	172.4	175.6	0	0	0	0	0	113.8	F69 F70 I94 F112	F69-G83 WeakPolarHBondContact CE2-O 3.5Å; F69-G83 VanDerWaalsContact CZ-CA 3.43Å; F70-G83 CarbonylContact O-C 3.57Å; F70-G83 WeakPolarHBondContact O-CA 3.37Å; G83-I94 PolarHBondContact N-O 3.43Å; G83-I94 PolarHBondContact O-N 3.17Å; G83-F112 VanDerWaalsContact C-CZ 3.48Å; G83-F112 WeakPolarHBondContact O-CZ 3.14Å
84	F	98.5	Very high	97.3	Very high	32 Å²	32	36.4 Å²	36.4	14%	0.14	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.2	179.6	-61.3	-73.3	0	0	0	110.7	F70 V92 F112 L115 I121	F70-F84 HydrophobicContact CD1-CD2 4.38Å; F70-F84 PolarHBondContact N-O 3.41Å; F70-F84 PolarHBondContact O-N 2.86Å; F84-V92 WeakPolarHBondContact CA-O 3.26Å; F84-F112 HydrophobicContact CD1-CE2 4.26Å; F84-F112 HydrophobicContact CD1-CZ 4.04Å; F84-F112 HydrophobicContact CD2-CE2 4.06Å; F84-F112 AromaticContact CE1-CE2 3.81Å; F84-F112 HydrophobicContact CE1-CE2 3.81Å; F84-F112 AromaticContact CE1-CZ 3.8Å; F84-F112 HydrophobicContact CE1-CZ 3.8Å; F84-F112 HydrophobicContact CE2-CD2 4.48Å; F84-F112 AromaticContact CE2-CE2 3.59Å; F84-F112 HydrophobicContact CE2-CE2 3.59Å; F84-F112 HydrophobicContact CE2-CZ 4.32Å; F84-F112 HydrophobicContact CG-CE2 4.38Å; F84-F112 HydrophobicContact CG-CZ 4.39Å; F84-F112 HydrophobicContact CZ-CD2 4.28Å; F84-F112 AromaticContact CZ-CE2 3.45Å; F84-F112 HydrophobicContact CZ-CE2 3.45Å; F84-F112 VanDerWaalsContact CZ-CE2 3.45Å; F84-F112 AromaticContact CZ-CZ 3.96Å; F84-F112 HydrophobicContact CZ-CZ 3.96Å; F84-L115 HydrophobicContact CZ-CB 4.43Å; F84-I121 HydrophobicContact CD1-CD1 4.03Å; F84-I121 HydrophobicContact CD1-CG2 4.47Å; F84-I121 HydrophobicContact CE1-CD1 3.69Å; F84-I121 HydrophobicContact CE1-CG2 4.49Å
85	A	97.9	Very high	97.3	Very high	9 Å²	9	32 Å²	32	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-174.1	172	0	0	0	0	0	110.5	V64 K68 F69 T91 V92 I94	V64-A85 HydrophobicContact CB-CB 3.77Å; V64-A85 HydrophobicContact CG1-CB 3.51Å; V64-A85 HydrophobicContact CG2-CB 4.19Å; K68-A85 WeakPolarHBondContact O-CB 3.44Å; F69-A85 HydrophobicContact CD2-CB 4.08Å; A85-T91 WeakPolarHBondContact O-CA 3.38Å; A85-V92 HydrophobicContact CB-CG2 4.29Å; A85-V92 PolarHBondContact N-O 3.15Å; A85-V92 PolarHBondContact O-N 3.31Å; A85-I94 HydrophobicContact CB-CD1 3.92Å
86	R	96.5	Very high	97.3	Very high	79 Å²	79	22.2 Å²	22.2	30%	0.298	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.2	167	-69.2	-179.4	179.8	-94.8	5.4	110.4	S28 A30 V64 D65 G89 I90	S28-R86 PolarHBondContact O-NH1 3.14Å; A30-R86 VanDerWaalsContact CB-CZ 3.47Å; A30-R86 VanDerWaalsContact CB-NH1 3.27Å; V64-R86 WeakPolarHBondContact CA-O 3.47Å; V64-R86 WeakPolarHBondContact CB-O 3.44Å; D65-R86 HydrophobicContact CB-CB 3.99Å; D65-R86 PolarHBondContact N-O 2.99Å; R86-G89 PolarHBondContact NH1-O 3.06Å; R86-I90 CarbonylContact C-O 3.45Å; R86-I90 VanDerWaalsContact CA-O 3.23Å; R86-I90 WeakPolarHBondContact CA-O 3.3Å
87	L	96	Very high	97.3	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.3	172.8	-179.9	64.1	0	0	0	108.1	I63 G89 I90 V92 R263 L266 L270	I63-L87 HydrophobicContact CG2-CD1 3.96Å; I63-L87 WeakPolarHBondContact O-CD1 3.38Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 3.17Å; L87-I90 PolarHBondContact N-O 2.84Å; L87-I90 PolarHBondContact O-N 3.01Å; L87-I90 VanDerWaalsContact O-N 3.15Å; L87-V92 HydrophobicContact CB-CG1 4.19Å; L87-V92 HydrophobicContact CB-CG2 4.16Å; L87-R263 HydrophobicContact CD1-CG 4.1Å; L87-L266 HydrophobicContact CD2-CB 3.66Å; L87-L270 HydrophobicContact CB-CD2 4.2Å; L87-L270 HydrophobicContact CD2-CD2 4.2Å; L87-L270 HydrophobicContact CG-CD2 4.46Å
88	Y	94.9	Very high	97.3	Very high	84 Å²	84	20 Å²	20	33%	0.329	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	48	-172.6	-76.2	-91.3	0	0	0	112.2	V32 D65 I90 R263	V32-Y88 HydrophobicContact CG1-CD1 3.78Å; V32-Y88 HydrophobicContact CG1-CE1 4.37Å; V32-Y88 HydrophobicContact CG1-CG 4.38Å; V32-Y88 HydrophobicContact CG2-CD1 4.45Å; D65-Y88 PolarHBondContact OD1-N 2.76Å; D65-Y88 PolarHBondContact OD2-N 3.45Å; Y88-I90 PolarHBondContact O-N 2.91Å; Y88-I90 VanDerWaalsContact O-N 3.1Å; Y88-R263 HydrophobicContact CD2-CG 4.42Å; Y88-R263 HydrophobicContact CE2-CG 3.63Å; Y88-R263 VanDerWaalsContact CE2-O 3.31Å; Y88-R263 WeakPolarHBondContact CE2-O 3.46Å
89	G	93.2	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-14.5	178.7	0	0	0	0	0	114.9	A30 D65 R86 L87	A30-G89 PolarHBondContact N-O 3.46Å; A30-G89 WeakPolarHBondContact O-CA 3.41Å; D65-G89 PolarHBondContact OD2-N 3.25Å; R86-G89 PolarHBondContact NH1-O 3.06Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 3.17Å
90	I	93.2	Very high	97	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.051	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	129.7	-179.1	-57.6	168.2	0	0	0	109.5	Y29 R86 L87 Y88 V92 L270 V274	Y29-I90 HydrophobicContact CD1-CG1 3.93Å; Y29-I90 HydrophobicContact CE1-CD1 3.89Å; Y29-I90 HydrophobicContact CE1-CG1 3.53Å; R86-I90 CarbonylContact C-O 3.45Å; R86-I90 VanDerWaalsContact CA-O 3.23Å; R86-I90 WeakPolarHBondContact CA-O 3.3Å; L87-I90 PolarHBondContact N-O 2.84Å; L87-I90 PolarHBondContact O-N 3.01Å; L87-I90 VanDerWaalsContact O-N 3.15Å; Y88-I90 PolarHBondContact O-N 2.91Å; Y88-I90 VanDerWaalsContact O-N 3.1Å; I90-V92 PolarHBondContact O-N 2.99Å; I90-L270 HydrophobicContact CB-CD2 3.72Å; I90-L270 HydrophobicContact CB-CG 4.43Å; I90-L270 HydrophobicContact CD1-CB 4.47Å; I90-L270 HydrophobicContact CD1-CD2 3.85Å; I90-L270 HydrophobicContact CD1-CG 3.79Å; I90-L270 HydrophobicContact CG1-CD2 4.38Å; I90-L270 HydrophobicContact CG2-CD2 3.73Å; I90-L270 HydrophobicContact CG2-CG 4.15Å; I90-V274 HydrophobicContact CD1-CG2 4.21Å; I90-V274 HydrophobicContact CG2-CG1 4.41Å
91	T	95.7	Very high	96.9	Very high	30 Å²	30	19.1 Å²	19.1	18%	0.184	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.5	174.3	-57.2	0	0	0	0	110.1	A85 I121 P122	A85-T91 WeakPolarHBondContact O-CA 3.38Å; T91-I121 HydrophobicContact CG2-CD1 4.15Å; T91-I121 HydrophobicContact CG2-CG1 4.36Å; T91-I121 HydrophobicContact CG2-CG2 4.17Å; T91-P122 WeakPolarHBondContact O-CD 3.49Å
92	V	97.1	Very high	96.9	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.4	179.6	-65.8	0	0	0	0	110.9	F84 A85 L87 I90 I94 L270	F84-V92 WeakPolarHBondContact CA-O 3.26Å; A85-V92 HydrophobicContact CB-CG2 4.29Å; A85-V92 PolarHBondContact N-O 3.15Å; A85-V92 PolarHBondContact O-N 3.31Å; L87-V92 HydrophobicContact CB-CG1 4.19Å; L87-V92 HydrophobicContact CB-CG2 4.16Å; I90-V92 PolarHBondContact O-N 2.99Å; V92-I94 HydrophobicContact CG2-CD1 4.2Å; V92-I94 HydrophobicContact CG2-CG1 4.01Å; V92-L270 HydrophobicContact CG1-CD1 4.37Å; V92-L270 HydrophobicContact CG1-CD2 3.43Å; V92-L270 VanDerWaalsContact CG1-CD2 3.43Å
93	G	98.6	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127	163.1	0	0	0	0	0	108.9	I121 P122 I123 L124	G93-I121 VanDerWaalsContact N-CG2 3.33Å; G93-P122 PolarHBondContact N-O 3.22Å; G93-I123 CarbonylContact O-C 3.59Å; G93-I123 VanDerWaalsContact O-CA 3.26Å; G93-I123 WeakPolarHBondContact O-CA 3.21Å; G93-L124 PolarHBondContact O-N 2.76Å
94	I	98.9	Very high	96.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.2	179.6	-55.5	177.5	0	0	0	108.5	I60 V64 F69 C82 G83 A85 V92 L124 L126	I60-I94 HydrophobicContact CD1-CG2 3.9Å; I60-I94 HydrophobicContact CG1-CG2 4.12Å; I60-I94 HydrophobicContact CG2-CD1 3.9Å; V64-I94 HydrophobicContact CG1-CD1 3.46Å; V64-I94 VanDerWaalsContact CG1-CD1 3.46Å; F69-I94 HydrophobicContact CE2-CB 4.03Å; F69-I94 HydrophobicContact CE2-CD1 4.35Å; C82-I94 CarbonylContact C-O 3.51Å; C82-I94 VanDerWaalsContact CA-O 3.28Å; C82-I94 WeakPolarHBondContact CA-O 3.21Å; G83-I94 PolarHBondContact N-O 3.43Å; G83-I94 PolarHBondContact O-N 3.17Å; A85-I94 HydrophobicContact CB-CD1 3.92Å; V92-I94 HydrophobicContact CG2-CD1 4.2Å; V92-I94 HydrophobicContact CG2-CG1 4.01Å; I94-L124 WeakPolarHBondContact CA-O 3.22Å; I94-L124 HydrophobicContact CD1-CD2 4.48Å; I94-L124 HydrophobicContact CG1-CB 4.34Å; I94-L124 HydrophobicContact CG1-CD2 4.36Å; I94-L126 HydrophobicContact CG2-CD1 4.06Å; I94-L126 HydrophobicContact CG2-CG 4.28Å
95	I	98.8	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.5	171.4	-55.8	179	0	0	0	107.3	L80 V81 F112 V113 I123 L124 F125 L126 M177	L80-I95 HydrophobicContact CD1-CG2 3.68Å; L80-I95 HydrophobicContact CD2-CG2 3.94Å; L80-I95 HydrophobicContact CG-CG2 3.86Å; V81-I95 CarbonylContact O-C 3.48Å; V81-I95 WeakPolarHBondContact O-CA 3.46Å; I95-F112 HydrophobicContact CD1-CD1 3.94Å; I95-F112 HydrophobicContact CG1-CD1 3.64Å; I95-F112 HydrophobicContact CG1-CE1 3.98Å; I95-V113 HydrophobicContact CD1-CG2 3.55Å; I95-I123 HydrophobicContact CD1-CG2 4.02Å; I95-I123 HydrophobicContact CG1-CG2 4.21Å; I95-L124 PolarHBondContact N-O 3.17Å; I95-F125 HydrophobicContact CB-CD1 4.11Å; I95-F125 HydrophobicContact CB-CE1 4.36Å; I95-F125 HydrophobicContact CD1-CD1 4.31Å; I95-F125 HydrophobicContact CD1-CE1 3.7Å; I95-F125 HydrophobicContact CD1-CZ 4.17Å; I95-F125 HydrophobicContact CG2-CD1 4.46Å; I95-F125 CarbonylContact O-C 3.46Å; I95-F125 WeakPolarHBondContact O-CA 3.26Å; I95-L126 PolarHBondContact O-N 2.95Å; I95-M177 HydrophobicContact CB-CE 4.34Å; I95-M177 HydrophobicContact CG2-CE 3.65Å; I95-M177 HydrophobicContact CG2-SD 4.01Å; I95-M177 WeakPolarHBondContact O-CE 3.34Å
96	G	98.6	Very high	96.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.5	-178	0	0	0	0	0	112.5	V81	V81-G96 PolarHBondContact N-O 3.2Å; V81-G96 PolarHBondContact O-N 3.1Å
97	N	98.3	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.2	174.5	-59.2	111.9	0	0	0	110.8	L126 Q127 N128 V129 M177	N97-L126 PolarHBondContact N-O 2.67Å; N97-L126 PolarHBondContact OD1-O 2.87Å; N97-Q127 WeakPolarHBondContact OD1-CA 3.34Å; N97-N128 HydrophobicContact CB-CB 4.27Å; N97-N128 WeakPolarHBondContact CB-O 3.46Å; N97-N128 PolarHBondContact OD1-N 2.83Å; N97-N128 VanDerWaalsContact OD1-N 3.14Å; N97-V129 HydrophobicContact CB-CB 4.47Å; N97-M177 PolarHBondContact ND2-SD 3Å; N97-M177 VanDerWaalsContact ND2-SD 3.44Å; N97-M177 VanDerWaalsContact OD1-CE 3.25Å; N97-M177 WeakPolarHBondContact OD1-CE 3.24Å; N97-M177 WeakPolarHBondContact OD1-CG 3.36Å
98	N	96.9	Very high	97	Very high	54 Å²	54	22.2 Å²	22.2	29%	0.289	12%	0.115	S	C	.	.	S	Bend	trans	-120.2	26.6	173.8	-149.3	32.1	0	0	0	110.7	F54 D55 I56 T79 V81	F54-N98 PolarHBondContact O-OD1 3.5Å; F54-N98 VanDerWaalsContact O-OD1 3.14Å; D55-N98 WeakPolarHBondContact CA-OD1 3.42Å; I56-N98 HydrophobicContact CB-CB 4.45Å; I56-N98 HydrophobicContact CG2-CB 3.78Å; I56-N98 PolarHBondContact N-OD1 3.25Å; T79-N98 PolarHBondContact O-N 2.84Å; V81-N98 HydrophobicContact CG2-CB 4.1Å
99	G	94.5	Very high	97.2	Very high	28 Å²	28	18.2 Å²	18.2	29%	0.289	10%	0.099	S	C	.	.	S	Bend	trans	143.1	-162.1	-174.4	0	0	0	0	0	113.6
100	I	94.6	Very high	97.5	Very high	63 Å²	63	18.4 Å²	18.4	32%	0.323	10%	0.1	S	C	.	.	S	Bend	trans	-71.4	143.8	179.7	-60.8	166.9	0	0	0	110.4	T79 F102 T130 F132 M133	T79-I100 WeakPolarHBondContact CB-O 3.03Å; T79-I100 PolarHBondContact OG1-O 2.88Å; I100-F102 HydrophobicContact CB-CE2 4.46Å; I100-F102 WeakPolarHBondContact O-CD2 3.22Å; I100-F102 PolarHBondContact O-N 3.31Å; I100-T130 WeakPolarHBondContact CG1-OG1 3.43Å; I100-F132 VanDerWaalsContact CG2-C 3.45Å; I100-M133 HydrophobicContact CG2-CB 4.1Å; I100-M133 VanDerWaalsContact CG2-N 3.26Å
101	I	97.4	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-80.5	119.9	178.8	-57	177.2	0	0	0	110.7	A106 V129 G131 F132 M133 A176 M177	I101-A106 HydrophobicContact CG2-CB 4.17Å; I101-V129 HydrophobicContact CD1-CG2 3.79Å; I101-V129 HydrophobicContact CG1-CG2 4.02Å; I101-G131 PolarHBondContact N-O 2.93Å; I101-F132 HydrophobicContact CB-CD1 3.84Å; I101-F132 HydrophobicContact CB-CE1 3.91Å; I101-F132 HydrophobicContact CB-CG 4.24Å; I101-F132 HydrophobicContact CB-CZ 4.35Å; I101-F132 HydrophobicContact CD1-CE2 4.33Å; I101-F132 HydrophobicContact CD1-CZ 4.19Å; I101-F132 HydrophobicContact CG2-CD1 3.65Å; I101-F132 HydrophobicContact CG2-CE1 3.34Å; I101-F132 HydrophobicContact CG2-CZ 3.96Å; I101-F132 WeakPolarHBondContact O-CA 3.32Å; I101-M133 PolarHBondContact O-N 3.11Å; I101-A176 HydrophobicContact CD1-CB 3.99Å; I101-M177 HydrophobicContact CD1-CG 4.4Å
102	F	97.7	Very high	97.9	Very high	72 Å²	72	20.1 Å²	20.1	32%	0.316	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-96.5	170.7	169.1	-67.3	-94	0	0	0	112	T79 I100 E104 S105 A106 M133	T79-F102 HydrophobicContact CG2-CD2 4.03Å; T79-F102 HydrophobicContact CG2-CE2 3.94Å; I100-F102 HydrophobicContact CB-CE2 4.46Å; I100-F102 WeakPolarHBondContact O-CD2 3.22Å; I100-F102 PolarHBondContact O-N 3.31Å; F102-E104 VanDerWaalsContact C-N 3.3Å; F102-E104 WeakPolarHBondContact CB-OE2 3.49Å; F102-E104 PolarHBondContact O-N 2.64Å; F102-S105 WeakPolarHBondContact O-CB 3.14Å; F102-S105 PolarHBondContact O-N 2.91Å; F102-S105 VanDerWaalsContact O-N 3.08Å; F102-A106 PolarHBondContact O-N 3.11Å; F102-M133 HydrophobicContact CD1-CB 3.78Å; F102-M133 HydrophobicContact CD1-CG 4Å; F102-M133 HydrophobicContact CE1-CB 3.73Å; F102-M133 HydrophobicContact CE1-CG 3.52Å; F102-M133 HydrophobicContact CE1-SD 4.04Å; F102-M133 HydrophobicContact CG-CB 4.4Å; F102-M133 HydrophobicContact CZ-CB 4.31Å; F102-M133 HydrophobicContact CZ-CG 4.18Å; F102-M133 HydrophobicContact CZ-SD 4.14Å
103	S	97.6	Very high	98	Very high	2 Å²	2	20 Å²	20	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-52.3	-46.7	175.9	-66.7	0	0	0	0	112.2	S105 A106 L107 I143 H146	S103-S105 VanDerWaalsContact C-N 3.31Å; S103-S105 PolarHBondContact O-N 3.29Å; S103-A106 PolarHBondContact O-N 2.97Å; S103-L107 WeakPolarHBondContact O-CG 3.46Å; S103-L107 PolarHBondContact O-N 3.08Å; S103-I143 WeakPolarHBondContact OG-CA 3.35Å; S103-H146 PolarHBondContact OG-CD2 3.26Å
104	E	97.9	Very high	97.9	Very high	67 Å²	67	23.3 Å²	23.3	31%	0.313	12%	0.121	S	C	.	.	H	α-helix	trans	-63	-39.7	178.3	-59.2	90.9	155.8	0	0	111.6	Y76 F102 L107 K108	Y76-E104 HydrophobicContact CD1-CB 4.31Å; Y76-E104 HydrophobicContact CE1-CB 3.7Å; Y76-E104 HydrophobicContact CE1-CG 4.43Å; Y76-E104 WeakPolarHBondContact CE1-O 3.37Å; Y76-E104 HydrophobicContact CE2-CB 3.93Å; Y76-E104 HydrophobicContact CE2-CG 3.82Å; Y76-E104 VanDerWaalsContact CZ-CB 3.46Å; Y76-E104 WeakPolarHBondContact OH-CA 3.06Å; F102-E104 VanDerWaalsContact C-N 3.3Å; F102-E104 WeakPolarHBondContact CB-OE2 3.49Å; F102-E104 PolarHBondContact O-N 2.64Å; E104-L107 PolarHBondContact O-N 3.39Å; E104-K108 VanDerWaalsContact O-CB 3.27Å; E104-K108 WeakPolarHBondContact O-CB 3.38Å; E104-K108 PolarHBondContact O-N 3.28Å
105	S	98.2	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-44	178.3	-58.6	0	0	0	0	110.8	G77 T79 L80 F102 S103 K108 G109	G77-S105 WeakPolarHBondContact CA-OG 3.47Å; T79-S105 PolarHBondContact OG1-OG 3.04Å; L80-S105 VanDerWaalsContact CD2-O 3.22Å; L80-S105 WeakPolarHBondContact CD2-O 3.4Å; F102-S105 WeakPolarHBondContact O-CB 3.14Å; F102-S105 PolarHBondContact O-N 2.91Å; F102-S105 VanDerWaalsContact O-N 3.08Å; S103-S105 VanDerWaalsContact C-N 3.31Å; S103-S105 PolarHBondContact O-N 3.29Å; S105-K108 PolarHBondContact O-N 3.22Å; S105-G109 PolarHBondContact O-N 2.86Å
106	A	98.4	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-41.9	175.7	0	0	0	0	0	112.5	I101 F102 S103 G109 A110 F132 H146 L150	I101-A106 HydrophobicContact CG2-CB 4.17Å; F102-A106 PolarHBondContact O-N 3.11Å; S103-A106 PolarHBondContact O-N 2.97Å; A106-G109 PolarHBondContact O-N 3.14Å; A106-A110 WeakPolarHBondContact O-CB 3.38Å; A106-A110 PolarHBondContact O-N 3.38Å; A106-F132 HydrophobicContact CB-CE1 4.3Å; A106-H146 HydrophobicContact CB-CB 4.26Å; A106-H146 WeakPolarHBondContact CB-O 3.35Å; A106-L150 HydrophobicContact CB-CB 4.25Å; A106-L150 HydrophobicContact CB-CD2 4.48Å
107	L	98.5	Very high	97.7	Very high	50 Å²	50	25.6 Å²	25.6	26%	0.262	13%	0.134	S	C	.	.	H	α-helix	trans	-62.8	-42	174.7	-73.8	173.1	0	0	0	112.3	S103 E104 H111 H146 K149	S103-L107 WeakPolarHBondContact O-CG 3.46Å; S103-L107 PolarHBondContact O-N 3.08Å; E104-L107 PolarHBondContact O-N 3.39Å; L107-H111 WeakPolarHBondContact O-CB 3.32Å; L107-H111 PolarHBondContact O-N 3.2Å; L107-H111 VanDerWaalsContact O-N 3.11Å; L107-H146 WeakPolarHBondContact CD2-ND1 3.38Å; L107-H146 HydrophobicContact CG-CB 4.41Å; L107-K149 HydrophobicContact CD2-CD 3.59Å
108	K	98.7	Very high	97.5	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-50.4	173.9	169.6	173.9	173.7	179.8	0	111.1	F72 K73 Y76 L80 C82 E104 S105 H111 F112	F72-K108 HydrophobicContact CD1-CG 4.28Å; F72-K108 HydrophobicContact CE1-CG 4.25Å; F72-K108 WeakPolarHBondContact O-CE 3.31Å; K73-K108 HydrophobicContact CB-CD 3.88Å; K73-K108 HydrophobicContact CB-CG 4.15Å; K73-K108 HydrophobicContact CD-CB 4.25Å; K73-K108 HydrophobicContact CD-CG 4.16Å; K73-K108 WeakPolarHBondContact O-CE 3.2Å; K73-K108 PolarHBondContact O-NZ 3.47Å; Y76-K108 HydrophobicContact CD1-CB 4.13Å; Y76-K108 HydrophobicContact CE1-CB 4.26Å; Y76-K108 WeakPolarHBondContact O-CD 3.35Å; Y76-K108 PolarHBondContact O-NZ 3.48Å; Y76-K108 VanDerWaalsContact O-NZ 3.15Å; L80-K108 WeakPolarHBondContact O-CE 3.49Å; L80-K108 PolarHBondContact O-NZ 3.35Å; C82-K108 HydrophobicContact CB-CG 4.44Å; E104-K108 VanDerWaalsContact O-CB 3.27Å; E104-K108 WeakPolarHBondContact O-CB 3.38Å; E104-K108 PolarHBondContact O-N 3.28Å; S105-K108 PolarHBondContact O-N 3.22Å; K108-H111 PolarHBondContact O-N 2.72Å; K108-F112 WeakPolarHBondContact O-CB 3.39Å; K108-F112 PolarHBondContact O-N 3.12Å
109	G	98.7	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-48	178.4	0	0	0	0	0	111.9	S105 A106 H111 F112 V113	S105-G109 PolarHBondContact O-N 2.86Å; A106-G109 PolarHBondContact O-N 3.14Å; G109-H111 PolarHBondContact O-N 2.75Å; G109-F112 PolarHBondContact O-N 3.34Å; G109-F112 VanDerWaalsContact O-N 3.14Å; G109-V113 WeakPolarHBondContact O-CG2 3.43Å; G109-V113 PolarHBondContact O-N 3.44Å
110	A	98.7	Very high	97.3	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-45.1	180	0	0	0	0	0	112.2	A106 Q114 K149 A153	A106-A110 WeakPolarHBondContact O-CB 3.38Å; A106-A110 PolarHBondContact O-N 3.38Å; A110-Q114 WeakPolarHBondContact O-CG 3.26Å; A110-Q114 PolarHBondContact O-N 2.89Å; A110-Q114 VanDerWaalsContact O-N 3.13Å; A110-K149 HydrophobicContact CB-CB 4.08Å; A110-A153 HydrophobicContact CB-CB 4.32Å
111	H	98.8	Very high	97.3	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.356	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-43.5	175.7	-175.2	177.7	0	0	0	110.9	F72 L107 K108 G109 V113 Q114 L115	F72-H111 HydrophobicContact CZ-CB 4.41Å; F72-H111 AromaticContact CZ-CE1 3.95Å; F72-H111 AromaticContact CZ-CG 3.88Å; F72-H111 AromaticContact CZ-ND1 3.69Å; L107-H111 WeakPolarHBondContact O-CB 3.32Å; L107-H111 PolarHBondContact O-N 3.2Å; L107-H111 VanDerWaalsContact O-N 3.11Å; K108-H111 PolarHBondContact O-N 2.72Å; G109-H111 PolarHBondContact O-N 2.75Å; H111-V113 PolarHBondContact O-N 3.12Å; H111-Q114 WeakPolarHBondContact O-CB 3.44Å; H111-Q114 PolarHBondContact O-N 3.33Å; H111-Q114 VanDerWaalsContact O-N 3.15Å; H111-L115 PolarHBondContact O-N 3.15Å
112	F	98.8	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-40.9	-179.8	-171.7	-107.6	0	0	0	112.8	F72 C82 G83 F84 I95 K108 G109 Q114 L115 C116	F72-F112 HydrophobicContact CB-CD2 3.71Å; F72-F112 HydrophobicContact CB-CE2 3.86Å; F72-F112 HydrophobicContact CD1-CB 3.87Å; F72-F112 AromaticContact CD1-CD2 3.56Å; F72-F112 HydrophobicContact CD1-CD2 3.56Å; F72-F112 HydrophobicContact CD1-CG 4.08Å; F72-F112 HydrophobicContact CD2-CD2 4.49Å; F72-F112 HydrophobicContact CE1-CB 3.94Å; F72-F112 HydrophobicContact CE1-CD2 4.25Å; F72-F112 AromaticContact CG-CD2 3.67Å; F72-F112 HydrophobicContact CG-CD2 3.67Å; F72-F112 HydrophobicContact CG-CE2 4.29Å; C82-F112 HydrophobicContact CB-CB 4.03Å; C82-F112 HydrophobicContact CB-CD1 3.8Å; C82-F112 HydrophobicContact CB-CD2 3.98Å; C82-F112 HydrophobicContact CB-CE1 4.26Å; C82-F112 HydrophobicContact CB-CE2 4.43Å; C82-F112 HydrophobicContact CB-CG 3.65Å; G83-F112 VanDerWaalsContact C-CZ 3.48Å; G83-F112 WeakPolarHBondContact O-CZ 3.14Å; F84-F112 HydrophobicContact CD1-CE2 4.26Å; F84-F112 HydrophobicContact CD1-CZ 4.04Å; F84-F112 HydrophobicContact CD2-CE2 4.06Å; F84-F112 AromaticContact CE1-CE2 3.81Å; F84-F112 HydrophobicContact CE1-CE2 3.81Å; F84-F112 AromaticContact CE1-CZ 3.8Å; F84-F112 HydrophobicContact CE1-CZ 3.8Å; F84-F112 HydrophobicContact CE2-CD2 4.48Å; F84-F112 AromaticContact CE2-CE2 3.59Å; F84-F112 HydrophobicContact CE2-CE2 3.59Å; F84-F112 HydrophobicContact CE2-CZ 4.32Å; F84-F112 HydrophobicContact CG-CE2 4.38Å; F84-F112 HydrophobicContact CG-CZ 4.39Å; F84-F112 HydrophobicContact CZ-CD2 4.28Å; F84-F112 AromaticContact CZ-CE2 3.45Å; F84-F112 HydrophobicContact CZ-CE2 3.45Å; F84-F112 VanDerWaalsContact CZ-CE2 3.45Å; F84-F112 AromaticContact CZ-CZ 3.96Å; F84-F112 HydrophobicContact CZ-CZ 3.96Å; I95-F112 HydrophobicContact CD1-CD1 3.94Å; I95-F112 HydrophobicContact CG1-CD1 3.64Å; I95-F112 HydrophobicContact CG1-CE1 3.98Å; K108-F112 WeakPolarHBondContact O-CB 3.39Å; K108-F112 PolarHBondContact O-N 3.12Å; G109-F112 PolarHBondContact O-N 3.34Å; G109-F112 VanDerWaalsContact O-N 3.14Å; F112-Q114 VanDerWaalsContact C-N 3.33Å; F112-Q114 PolarHBondContact O-N 3.39Å; F112-L115 WeakPolarHBondContact O-CB 3.44Å; F112-L115 PolarHBondContact O-N 3.26Å; F112-C116 VanDerWaalsContact CE1-SG 3.59Å; F112-C116 PolarHBondContact O-N 3.07Å; F112-C116 PolarHBondContact O-SG 2.98Å
113	V	98.7	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-42.8	173.3	173.5	0	0	0	0	110.8	I95 G109 H111 L115 C116 S117 I123 L150 A153 V154 A157	I95-V113 HydrophobicContact CD1-CG2 3.55Å; G109-V113 WeakPolarHBondContact O-CG2 3.43Å; G109-V113 PolarHBondContact O-N 3.44Å; H111-V113 PolarHBondContact O-N 3.12Å; V113-L115 VanDerWaalsContact C-N 3.33Å; V113-L115 PolarHBondContact O-N 2.96Å; V113-C116 PolarHBondContact O-N 3.26Å; V113-S117 WeakPolarHBondContact O-CB 3.45Å; V113-S117 PolarHBondContact O-N 3.29Å; V113-S117 PolarHBondContact O-OG 3.22Å; V113-S117 VanDerWaalsContact O-OG 3.1Å; V113-I123 HydrophobicContact CB-CD1 4.38Å; V113-I123 HydrophobicContact CG1-CD1 3.96Å; V113-I123 HydrophobicContact CG2-CD1 4.25Å; V113-L150 HydrophobicContact CG2-CD1 4.5Å; V113-A153 HydrophobicContact CB-CB 3.86Å; V113-A153 HydrophobicContact CG1-CB 3.77Å; V113-A153 WeakPolarHBondContact CG1-O 3.44Å; V113-A153 HydrophobicContact CG2-CB 4.5Å; V113-V154 HydrophobicContact CG2-CG2 4.31Å; V113-A157 HydrophobicContact CG1-CB 3.85Å
114	Q	98.2	Very high	97.3	Very high	70 Å²	70	33.9 Å²	33.9	33%	0.327	15%	0.149	S	C	.	.	H	α-helix	trans	-60.9	-40.3	175.8	-70.2	173.3	40.5	0	0	112.4	A110 H111 F112 S117 R118 F283 F286	A110-Q114 WeakPolarHBondContact O-CG 3.26Å; A110-Q114 PolarHBondContact O-N 2.89Å; A110-Q114 VanDerWaalsContact O-N 3.13Å; H111-Q114 WeakPolarHBondContact O-CB 3.44Å; H111-Q114 PolarHBondContact O-N 3.33Å; H111-Q114 VanDerWaalsContact O-N 3.15Å; F112-Q114 VanDerWaalsContact C-N 3.33Å; F112-Q114 PolarHBondContact O-N 3.39Å; Q114-S117 PolarHBondContact O-N 3.08Å; Q114-R118 VanDerWaalsContact O-CB 3.3Å; Q114-R118 WeakPolarHBondContact O-CB 3.06Å; Q114-R118 PolarHBondContact O-N 2.85Å; Q114-F283 HydrophobicContact CB-CZ 4.42Å; Q114-F283 HydrophobicContact CG-CE1 4.29Å; Q114-F283 HydrophobicContact CG-CE2 4.06Å; Q114-F283 HydrophobicContact CG-CZ 3.86Å; Q114-F286 HydrophobicContact CG-CZ 4.45Å
115	L	98	Very high	97.4	Very high	36 Å²	36	30.7 Å²	30.7	19%	0.188	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-45.3	175.2	-69.8	174.8	0	0	0	111.7	F72 F84 H111 F112 V113 R118 R119	F72-L115 HydrophobicContact CD2-CD1 4.12Å; F72-L115 HydrophobicContact CE2-CD1 3.65Å; F72-L115 HydrophobicContact CZ-CD1 3.95Å; F84-L115 HydrophobicContact CZ-CB 4.43Å; H111-L115 PolarHBondContact O-N 3.15Å; F112-L115 WeakPolarHBondContact O-CB 3.44Å; F112-L115 PolarHBondContact O-N 3.26Å; V113-L115 VanDerWaalsContact C-N 3.33Å; V113-L115 PolarHBondContact O-N 2.96Å; L115-R118 PolarHBondContact O-N 2.82Å; L115-R119 WeakPolarHBondContact O-CB 3.37Å; L115-R119 VanDerWaalsContact O-CG 3.28Å; L115-R119 WeakPolarHBondContact O-CG 3.35Å; L115-R119 PolarHBondContact O-N 3.17Å; L115-R119 VanDerWaalsContact O-N 3.11Å
116	C	97.1	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-48.3	177.4	-64.1	0	0	0	0	111	F112 V113 R118 R119 N120 I121 I123	F112-C116 VanDerWaalsContact CE1-SG 3.59Å; F112-C116 PolarHBondContact O-N 3.07Å; F112-C116 PolarHBondContact O-SG 2.98Å; V113-C116 PolarHBondContact O-N 3.26Å; C116-R118 PolarHBondContact O-N 3.03Å; C116-R119 CarbonylContact O-C 3.5Å; C116-R119 PolarHBondContact O-N 3.02Å; C116-N120 PolarHBondContact O-N 3.45Å; C116-I121 HydrophobicContact CB-CB 4.28Å; C116-I121 PolarHBondContact O-N 3.03Å; C116-I123 HydrophobicContact CB-CD1 3.8Å; C116-I123 HydrophobicContact CB-CG1 3.72Å
117	S	95.8	Very high	97.4	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-59.7	-42.3	177.6	-67.5	0	0	0	0	112.8	V113 Q114 R119 N120 A157	V113-S117 WeakPolarHBondContact O-CB 3.45Å; V113-S117 PolarHBondContact O-N 3.29Å; V113-S117 PolarHBondContact O-OG 3.22Å; V113-S117 VanDerWaalsContact O-OG 3.1Å; Q114-S117 PolarHBondContact O-N 3.08Å; S117-R119 VanDerWaalsContact C-N 3.29Å; S117-R119 PolarHBondContact O-N 3Å; S117-N120 PolarHBondContact O-N 2.77Å; S117-A157 WeakPolarHBondContact OG-CB 3.32Å
118	R	95	Very high	97.3	Very high	204 Å²	204	29.8 Å²	29.8	77%	0.77	13%	0.13	S	C	*	.	H	α-helix	trans	-66.7	-32.6	178.3	-177	60.2	177.1	-175.6	2.8	112.4	Q114 L115 C116	Q114-R118 VanDerWaalsContact O-CB 3.3Å; Q114-R118 WeakPolarHBondContact O-CB 3.06Å; Q114-R118 PolarHBondContact O-N 2.85Å; L115-R118 PolarHBondContact O-N 2.82Å; C116-R118 PolarHBondContact O-N 3.03Å
119	R	94	Very high	97.2	Very high	138 Å²	138	29.7 Å²	29.7	52%	0.521	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3	-178.1	-64.5	173.1	-178.7	178.3	-0.6	113.3	L115 C116 S117 I121	L115-R119 WeakPolarHBondContact O-CB 3.37Å; L115-R119 VanDerWaalsContact O-CG 3.28Å; L115-R119 WeakPolarHBondContact O-CG 3.35Å; L115-R119 PolarHBondContact O-N 3.17Å; L115-R119 VanDerWaalsContact O-N 3.11Å; C116-R119 CarbonylContact O-C 3.5Å; C116-R119 PolarHBondContact O-N 3.02Å; S117-R119 VanDerWaalsContact C-N 3.29Å; S117-R119 PolarHBondContact O-N 3Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 HydrophobicContact CB-CD1 3.64Å; R119-I121 HydrophobicContact CB-CG1 3.79Å; R119-I121 HydrophobicContact CG-CD1 4.46Å; R119-I121 PolarHBondContact O-N 3Å
120	N	92.6	Very high	96.8	Very high	27 Å²	27	33.3 Å²	33.3	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.3	-172.8	-169.3	42.5	0	0	0	112.9	F26 C116 S117 S278	F26-N120 WeakPolarHBondContact CE1-ND2 3.25Å; F26-N120 WeakPolarHBondContact CE1-O 3.37Å; C116-N120 PolarHBondContact O-N 3.45Å; S117-N120 PolarHBondContact O-N 2.77Å; N120-S278 WeakPolarHBondContact ND2-CB 3.37Å; N120-S278 PolarHBondContact ND2-OG 3.17Å; N120-S278 PolarHBondContact OD1-OG 2.91Å
121	I	94.8	Very high	96.6	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.067	16%	0.155	C	C	.	.			trans	-98.8	124.5	178.3	-64.7	171.9	0	0	0	108.5	F84 T91 G93 C116 R119 V159	F84-I121 HydrophobicContact CD1-CD1 4.03Å; F84-I121 HydrophobicContact CD1-CG2 4.47Å; F84-I121 HydrophobicContact CE1-CD1 3.69Å; F84-I121 HydrophobicContact CE1-CG2 4.49Å; T91-I121 HydrophobicContact CG2-CD1 4.15Å; T91-I121 HydrophobicContact CG2-CG1 4.36Å; T91-I121 HydrophobicContact CG2-CG2 4.17Å; G93-I121 VanDerWaalsContact N-CG2 3.33Å; C116-I121 HydrophobicContact CB-CB 4.28Å; C116-I121 PolarHBondContact O-N 3.03Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 HydrophobicContact CB-CD1 3.64Å; R119-I121 HydrophobicContact CB-CG1 3.79Å; R119-I121 HydrophobicContact CG-CD1 4.46Å; R119-I121 PolarHBondContact O-N 3Å; I121-V159 WeakPolarHBondContact O-CB 3.15Å; I121-V159 WeakPolarHBondContact O-CG2 3.33Å
122	P	96.4	Very high	96.4	Very high	3 Å²	3	32 Å²	32	2%	0.019	15%	0.148	C	C	.	.			trans	-55.8	148.6	171.4	-26.4	35.1	0	0	0	113	F26 T91 G93 P160 L270 V274	F26-P122 HydrophobicContact CE1-CG 4.22Å; T91-P122 WeakPolarHBondContact O-CD 3.49Å; G93-P122 PolarHBondContact N-O 3.22Å; P122-P160 CarbonylContact C-O 3.51Å; P122-P160 VanDerWaalsContact CA-O 3.23Å; P122-P160 WeakPolarHBondContact CA-O 3.15Å; P122-P160 HydrophobicContact CB-CB 4.1Å; P122-P160 HydrophobicContact CG-CB 4.32Å; P122-P160 HydrophobicContact CG-CG 4.23Å; P122-L270 HydrophobicContact CB-CD1 3.59Å; P122-L270 HydrophobicContact CG-CD1 3.92Å; P122-V274 HydrophobicContact CG-CG1 3.73Å
123	I	98.4	Very high	96.2	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.7	-178	-51.7	173.5	0	0	0	110.3	G93 I95 V113 C116 F125 V159 P160 K161 L162	G93-I123 CarbonylContact O-C 3.59Å; G93-I123 VanDerWaalsContact O-CA 3.26Å; G93-I123 WeakPolarHBondContact O-CA 3.21Å; I95-I123 HydrophobicContact CD1-CG2 4.02Å; I95-I123 HydrophobicContact CG1-CG2 4.21Å; V113-I123 HydrophobicContact CB-CD1 4.38Å; V113-I123 HydrophobicContact CG1-CD1 3.96Å; V113-I123 HydrophobicContact CG2-CD1 4.25Å; C116-I123 HydrophobicContact CB-CD1 3.8Å; C116-I123 HydrophobicContact CB-CG1 3.72Å; I123-F125 HydrophobicContact CB-CE2 3.85Å; I123-F125 HydrophobicContact CB-CZ 4.35Å; I123-F125 HydrophobicContact CG2-CD2 3.87Å; I123-F125 HydrophobicContact CG2-CE1 4.26Å; I123-F125 HydrophobicContact CG2-CE2 3.35Å; I123-F125 HydrophobicContact CG2-CG 4.5Å; I123-F125 HydrophobicContact CG2-CZ 3.57Å; I123-V159 HydrophobicContact CD1-CG2 3.76Å; I123-V159 HydrophobicContact CG1-CG2 3.86Å; I123-P160 PolarHBondContact N-O 3.19Å; I123-K161 CarbonylContact O-C 3.46Å; I123-K161 WeakPolarHBondContact O-CA 3.23Å; I123-L162 PolarHBondContact O-N 3.35Å
124	L	98.8	Very high	95.8	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.3	169.6	173	61.7	0	0	0	109.6	G93 I94 I95 L126 L162 L266	G93-L124 PolarHBondContact O-N 2.76Å; I94-L124 WeakPolarHBondContact CA-O 3.22Å; I94-L124 HydrophobicContact CD1-CD2 4.48Å; I94-L124 HydrophobicContact CG1-CB 4.34Å; I94-L124 HydrophobicContact CG1-CD2 4.36Å; I95-L124 PolarHBondContact N-O 3.17Å; L124-L126 HydrophobicContact CD1-CD2 4.15Å; L124-L126 HydrophobicContact CD2-CD2 4.08Å; L124-L126 HydrophobicContact CG-CD2 3.99Å; L124-L126 HydrophobicContact CG-CG 4.42Å; L124-L162 CarbonylContact C-O 3.59Å; L124-L162 WeakPolarHBondContact CA-O 3.37Å; L124-L162 HydrophobicContact CD1-CB 4.01Å; L124-L266 HydrophobicContact CD1-CD1 3.93Å; L124-L266 HydrophobicContact CD1-CD2 3.81Å; L124-L266 HydrophobicContact CD2-CD1 3.92Å
125	F	98.9	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123	173.9	-64.1	-95.4	0	0	0	109.9	I95 I123 V154 K161 L162 T163 L164 M177 C178	I95-F125 HydrophobicContact CB-CD1 4.11Å; I95-F125 HydrophobicContact CB-CE1 4.36Å; I95-F125 HydrophobicContact CD1-CD1 4.31Å; I95-F125 HydrophobicContact CD1-CE1 3.7Å; I95-F125 HydrophobicContact CD1-CZ 4.17Å; I95-F125 HydrophobicContact CG2-CD1 4.46Å; I95-F125 CarbonylContact O-C 3.46Å; I95-F125 WeakPolarHBondContact O-CA 3.26Å; I123-F125 HydrophobicContact CB-CE2 3.85Å; I123-F125 HydrophobicContact CB-CZ 4.35Å; I123-F125 HydrophobicContact CG2-CD2 3.87Å; I123-F125 HydrophobicContact CG2-CE1 4.26Å; I123-F125 HydrophobicContact CG2-CE2 3.35Å; I123-F125 HydrophobicContact CG2-CG 4.5Å; I123-F125 HydrophobicContact CG2-CZ 3.57Å; F125-V154 HydrophobicContact CE1-CG2 3.88Å; F125-V154 HydrophobicContact CZ-CG1 4.34Å; F125-V154 HydrophobicContact CZ-CG2 3.91Å; F125-K161 HydrophobicContact CE2-CB 4.37Å; F125-K161 HydrophobicContact CE2-CD 4.36Å; F125-K161 HydrophobicContact CE2-CG 4.21Å; F125-L162 PolarHBondContact N-O 2.83Å; F125-T163 HydrophobicContact CB-CG2 4.39Å; F125-T163 WeakPolarHBondContact O-CA 3.35Å; F125-L164 PolarHBondContact O-N 2.76Å; F125-M177 WeakPolarHBondContact CB-O 3.2Å; F125-M177 HydrophobicContact CD1-CE 4.24Å; F125-M177 WeakPolarHBondContact CD1-O 3.32Å; F125-M177 WeakPolarHBondContact CG-O 3.49Å; F125-C178 HydrophobicContact CB-CB 4.44Å; F125-C178 HydrophobicContact CD1-CB 3.91Å; F125-C178 HydrophobicContact CD2-CB 3.42Å; F125-C178 VanDerWaalsContact CD2-CB 3.42Å; F125-C178 HydrophobicContact CE1-CB 3.93Å; F125-C178 HydrophobicContact CE2-CB 3.46Å; F125-C178 VanDerWaalsContact CE2-CB 3.46Å; F125-C178 HydrophobicContact CG-CB 3.66Å; F125-C178 HydrophobicContact CZ-CB 3.72Å
126	L	98.7	Very high	95.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	101.6	172.6	-56.3	179.6	0	0	0	108.8	I56 V59 I60 I94 I95 N97 L124 L164 I166	I56-L126 HydrophobicContact CD1-CB 4.16Å; I56-L126 HydrophobicContact CD1-CD1 4.06Å; I56-L126 HydrophobicContact CG1-CD1 4.3Å; V59-L126 HydrophobicContact CG1-CD1 4.44Å; I60-L126 HydrophobicContact CD1-CD1 4.49Å; I60-L126 HydrophobicContact CG1-CD1 3.78Å; I94-L126 HydrophobicContact CG2-CD1 4.06Å; I94-L126 HydrophobicContact CG2-CG 4.28Å; I95-L126 PolarHBondContact O-N 2.95Å; N97-L126 PolarHBondContact N-O 2.67Å; N97-L126 PolarHBondContact OD1-O 2.87Å; L124-L126 HydrophobicContact CD1-CD2 4.15Å; L124-L126 HydrophobicContact CD2-CD2 4.08Å; L124-L126 HydrophobicContact CG-CD2 3.99Å; L124-L126 HydrophobicContact CG-CG 4.42Å; L126-L164 CarbonylContact C-O 3.5Å; L126-L164 WeakPolarHBondContact CA-O 3.33Å; L126-L164 HydrophobicContact CD2-CB 3.97Å; L126-L164 HydrophobicContact CD2-CD2 4.06Å; L126-L164 HydrophobicContact CD2-CG 4.48Å; L126-I166 HydrophobicContact CB-CD1 4.4Å
127	Q	98.3	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.3	-175.7	-57.5	-161.8	-17.4	0	0	111.6	N97 T163 L164 I165 I166 G167 S169 N174 M177	N97-Q127 WeakPolarHBondContact OD1-CA 3.34Å; Q127-T163 HydrophobicContact CG-CG2 3.85Å; Q127-L164 PolarHBondContact N-O 3.05Å; Q127-I165 HydrophobicContact CB-CB 4.43Å; Q127-I165 HydrophobicContact CB-CG1 4.28Å; Q127-I165 HydrophobicContact CB-CG2 4.24Å; Q127-I165 HydrophobicContact CG-CG1 4.46Å; Q127-I166 WeakPolarHBondContact O-CG1 3.41Å; Q127-I166 PolarHBondContact O-N 3.3Å; Q127-G167 PolarHBondContact O-N 2.79Å; Q127-S169 PolarHBondContact OE1-OG 2.99Å; Q127-S169 VanDerWaalsContact OE1-OG 3.12Å; Q127-N174 PolarHBondContact NE2-O 3.46Å; Q127-M177 HydrophobicContact CG-CB 3.76Å; Q127-M177 VanDerWaalsContact NE2-C 3.28Å; Q127-M177 PolarHBondContact NE2-O 2.85Å
128	N	96.8	Very high	94.9	Very high	31 Å²	31	56.8 Å²	56.8	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	65.2	163	-174.5	24.8	0	0	0	108.8	F54 N97 I166 G168	F54-N128 VanDerWaalsContact CE1-ND2 3.3Å; F54-N128 WeakPolarHBondContact CE1-ND2 3.22Å; F54-N128 WeakPolarHBondContact CZ-ND2 3.45Å; N97-N128 HydrophobicContact CB-CB 4.27Å; N97-N128 WeakPolarHBondContact CB-O 3.46Å; N97-N128 PolarHBondContact OD1-N 2.83Å; N97-N128 VanDerWaalsContact OD1-N 3.14Å; N128-I166 HydrophobicContact CB-CD1 4.43Å; N128-I166 HydrophobicContact CB-CG1 4.08Å; N128-G168 CarbonylContact C-O 3.53Å; N128-G168 WeakPolarHBondContact CA-O 3.45Å; N128-G168 PolarHBondContact OD1-N 2.85Å
129	V	95	Very high	94.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.6	-168.1	62.6	0	0	0	0	111.5	N97 I101 G168 Y170 G173 M177	N97-V129 HydrophobicContact CB-CB 4.47Å; I101-V129 HydrophobicContact CD1-CG2 3.79Å; I101-V129 HydrophobicContact CG1-CG2 4.02Å; V129-G168 PolarHBondContact N-O 3.49Å; V129-G168 CarbonylContact O-C 3.59Å; V129-Y170 PolarHBondContact O-N 3.14Å; V129-Y170 VanDerWaalsContact O-N 3.17Å; V129-G173 VanDerWaalsContact CG1-C 3.5Å; V129-M177 HydrophobicContact CG1-CG 4.38Å
130	T	91.6	Very high	94.8	Very high	75 Å²	75	49.6 Å²	49.6	46%	0.46	27%	0.266	S	S	.	.			trans	-89.8	-19.1	173.3	54.2	0	0	0	0	113.7	I100 Y170	I100-T130 WeakPolarHBondContact CG1-OG1 3.43Å; T130-Y170 HydrophobicContact CG2-CD2 4.36Å
131	G	93.1	Very high	94.8	Very high	11 Å²	11	52.8 Å²	52.8	11%	0.113	28%	0.281	C	S	.	.			trans	144.2	-156.9	176.4	0	0	0	0	0	111.7	I101	I101-G131 PolarHBondContact N-O 2.93Å
132	F	95.2	Very high	94.8	Very high	44 Å²	44	52.7 Å²	52.7	19%	0.193	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-96.4	157.3	172	-75.6	-98.8	0	0	0	110.4	I100 I101 A106 I143 A172 A176	I100-F132 VanDerWaalsContact CG2-C 3.45Å; I101-F132 HydrophobicContact CB-CD1 3.84Å; I101-F132 HydrophobicContact CB-CE1 3.91Å; I101-F132 HydrophobicContact CB-CG 4.24Å; I101-F132 HydrophobicContact CB-CZ 4.35Å; I101-F132 HydrophobicContact CD1-CE2 4.33Å; I101-F132 HydrophobicContact CD1-CZ 4.19Å; I101-F132 HydrophobicContact CG2-CD1 3.65Å; I101-F132 HydrophobicContact CG2-CE1 3.34Å; I101-F132 HydrophobicContact CG2-CZ 3.96Å; I101-F132 WeakPolarHBondContact O-CA 3.32Å; A106-F132 HydrophobicContact CB-CE1 4.3Å; F132-I143 HydrophobicContact CB-CD1 4Å; F132-I143 HydrophobicContact CD1-CD1 4.09Å; F132-I143 HydrophobicContact CD1-CG1 4Å; F132-A172 HydrophobicContact CD2-CB 3.85Å; F132-A172 HydrophobicContact CE2-CB 3.89Å; F132-A176 HydrophobicContact CE2-CB 3.99Å; F132-A176 HydrophobicContact CZ-CB 3.79Å
133	M	94.7	Very high	94.8	Very high	64 Å²	64	52.8 Å²	52.8	32%	0.315	28%	0.283	S	S	.	.			trans	-62.2	137.7	172.6	-172.6	60.3	-163.9	0	0	109.9	I100 I101 F102 V138 I143	I100-M133 HydrophobicContact CG2-CB 4.1Å; I100-M133 VanDerWaalsContact CG2-N 3.26Å; I101-M133 PolarHBondContact O-N 3.11Å; F102-M133 HydrophobicContact CD1-CB 3.78Å; F102-M133 HydrophobicContact CD1-CG 4Å; F102-M133 HydrophobicContact CE1-CB 3.73Å; F102-M133 HydrophobicContact CE1-CG 3.52Å; F102-M133 HydrophobicContact CE1-SD 4.04Å; F102-M133 HydrophobicContact CG-CB 4.4Å; F102-M133 HydrophobicContact CZ-CB 4.31Å; F102-M133 HydrophobicContact CZ-CG 4.18Å; F102-M133 HydrophobicContact CZ-SD 4.14Å; M133-V138 HydrophobicContact CB-CG2 4.48Å; M133-V138 HydrophobicContact CG-CG1 4.08Å; M133-V138 HydrophobicContact CG-CG2 4.2Å; M133-I143 HydrophobicContact CB-CD1 3.9Å; M133-I143 VanDerWaalsContact O-CD1 3.23Å; M133-I143 WeakPolarHBondContact O-CD1 3.4Å
134	V	90.7	Very high	94.7	Very high	111 Å²	111	55.9 Å²	55.9	67%	0.673	31%	0.309	S	S	*	.			trans	-114.6	138.4	178.7	-64.5	0	0	0	0	110
135	G	91.4	Very high	94.7	Very high	36 Å²	36	58.9 Å²	58.9	37%	0.371	32%	0.322	S	S	.	.	S	Bend	trans	159.4	150.5	179.1	0	0	0	0	0	111.6	E137 V138 E139	G135-E137 PolarHBondContact O-N 3.12Å; G135-V138 WeakPolarHBondContact O-CG2 3.45Å; G135-V138 PolarHBondContact O-N 3.15Å; G135-E139 WeakPolarHBondContact O-CG 3.45Å; G135-E139 PolarHBondContact O-N 3.15Å
136	R	92.8	Very high	94.6	Very high	236 Å²	236	59.9 Å²	59.9	89%	0.891	33%	0.327	S	S	*	.	H	α-helix	trans	-56.9	-38.8	-176.7	-173.4	179.4	179.6	-177.7	-0.2	112.6	A140	R136-A140 WeakPolarHBondContact O-CB 3.25Å; R136-A140 PolarHBondContact O-N 2.85Å
137	E	93.2	Very high	94.6	Very high	168 Å²	168	60.1 Å²	60.1	79%	0.785	33%	0.329	S	S	*	.	H	α-helix	trans	-67.4	-48.1	-179.2	-65.8	177.4	-179	0	0	111.9	G135 E139 A140 E141	G135-E137 PolarHBondContact O-N 3.12Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 2.8Å; E137-A140 PolarHBondContact O-N 3.12Å; E137-E141 PolarHBondContact O-N 3.44Å
138	V	92.9	Very high	94.6	Very high	23 Å²	23	62.3 Å²	62.3	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-68.9	-31.8	179.3	-63.8	0	0	0	0	112.6	M133 G135 E141 G142 I143	M133-V138 HydrophobicContact CB-CG2 4.48Å; M133-V138 HydrophobicContact CG-CG1 4.08Å; M133-V138 HydrophobicContact CG-CG2 4.2Å; G135-V138 WeakPolarHBondContact O-CG2 3.45Å; G135-V138 PolarHBondContact O-N 3.15Å; V138-E141 PolarHBondContact O-N 3.07Å; V138-G142 PolarHBondContact O-N 2.98Å; V138-G142 VanDerWaalsContact O-N 3.15Å; V138-I143 HydrophobicContact CB-CB 4.38Å; V138-I143 HydrophobicContact CB-CD1 4.4Å; V138-I143 HydrophobicContact CB-CG2 4.45Å; V138-I143 HydrophobicContact CG2-CG2 4.43Å; V138-I143 WeakPolarHBondContact O-CB 3.36Å; V138-I143 WeakPolarHBondContact O-CG2 3.47Å; V138-I143 PolarHBondContact O-N 3.47Å
139	E	93.7	Very high	94.6	Very high	100 Å²	100	61.5 Å²	61.5	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-43	171.1	-69.4	-59.7	158.1	0	0	111.3	G135 E137 E141 G142	G135-E139 WeakPolarHBondContact O-CG 3.45Å; G135-E139 PolarHBondContact O-N 3.15Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 2.8Å; E139-E141 VanDerWaalsContact C-N 3.35Å; E139-G142 WeakPolarHBondContact O-CA 3.46Å; E139-G142 PolarHBondContact O-N 2.74Å
140	A	93.2	Very high	94.8	Very high	90 Å²	90	61.5 Å²	61.5	74%	0.744	34%	0.342	S	S	*	.	H	α-helix	trans	-66.8	-34.9	176.7	0	0	0	0	0	112.6	R136 E137 G142	R136-A140 WeakPolarHBondContact O-CB 3.25Å; R136-A140 PolarHBondContact O-N 2.85Å; E137-A140 PolarHBondContact O-N 3.12Å; A140-G142 PolarHBondContact O-N 3.5Å
141	E	92.5	Very high	95.1	Very high	95 Å²	95	59.5 Å²	59.5	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-25.1	171.7	-162.6	-162.9	159.7	0	0	111.9	E137 V138 E139 H146	E137-E141 PolarHBondContact O-N 3.44Å; V138-E141 PolarHBondContact O-N 3.07Å; E139-E141 VanDerWaalsContact C-N 3.35Å; E141-H146 PolarHBondContact O-NE2 3.02Å
142	G	94.7	Very high	95.4	Very high	11 Å²	11	61.5 Å²	61.5	11%	0.113	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	100	35.7	175.4	0	0	0	0	0	113.6	V138 E139 A140 A144 K145 H146	V138-G142 PolarHBondContact O-N 2.98Å; V138-G142 VanDerWaalsContact O-N 3.15Å; E139-G142 WeakPolarHBondContact O-CA 3.46Å; E139-G142 PolarHBondContact O-N 2.74Å; A140-G142 PolarHBondContact O-N 3.5Å; G142-A144 PolarHBondContact O-N 3.26Å; G142-K145 WeakPolarHBondContact O-CG 3.25Å; G142-K145 PolarHBondContact O-N 3.34Å; G142-H146 VanDerWaalsContact C-CD2 3.47Å; G142-H146 PolarHBondContact O-CD2 3Å; G142-H146 PolarHBondContact O-N 3.21Å
143	I	96.6	Very high	95.5	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-50.3	-35.9	177.1	-163.9	172.3	0	0	0	112.6	S103 F132 M133 V138 K145 H146 G147	S103-I143 WeakPolarHBondContact OG-CA 3.35Å; F132-I143 HydrophobicContact CB-CD1 4Å; F132-I143 HydrophobicContact CD1-CD1 4.09Å; F132-I143 HydrophobicContact CD1-CG1 4Å; M133-I143 HydrophobicContact CB-CD1 3.9Å; M133-I143 VanDerWaalsContact O-CD1 3.23Å; M133-I143 WeakPolarHBondContact O-CD1 3.4Å; V138-I143 HydrophobicContact CB-CB 4.38Å; V138-I143 HydrophobicContact CB-CD1 4.4Å; V138-I143 HydrophobicContact CB-CG2 4.45Å; V138-I143 HydrophobicContact CG2-CG2 4.43Å; V138-I143 WeakPolarHBondContact O-CB 3.36Å; V138-I143 WeakPolarHBondContact O-CG2 3.47Å; V138-I143 PolarHBondContact O-N 3.47Å; I143-K145 PolarHBondContact O-N 2.84Å; I143-H146 PolarHBondContact O-N 2.58Å; I143-G147 PolarHBondContact O-N 2.97Å
144	A	96.5	Very high	95.7	Very high	68 Å²	68	56.3 Å²	56.3	56%	0.562	31%	0.313	S	S	*	.	H	α-helix	trans	-58.8	-47.4	174	0	0	0	0	0	112.8	G142 H146 A148	G142-A144 PolarHBondContact O-N 3.26Å; A144-H146 VanDerWaalsContact C-N 3.34Å; A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 2.83Å
145	K	97.5	Very high	96	Very high	69 Å²	69	53.4 Å²	53.4	30%	0.3	30%	0.297	S	S	.	.	H	α-helix	trans	-72	-29.1	177.7	65.1	164.7	-174.4	167.3	0	112.1	G142 I143 K149 R287 M288	G142-K145 WeakPolarHBondContact O-CG 3.25Å; G142-K145 PolarHBondContact O-N 3.34Å; I143-K145 PolarHBondContact O-N 2.84Å; K145-K149 WeakPolarHBondContact O-CG 3.4Å; K145-K149 PolarHBondContact O-N 3.16Å; K145-K149 PolarHBondContact O-NZ 2.8Å; K145-R287 HydrophobicContact CB-CG 3.92Å; K145-M288 PolarHBondContact NZ-O 3.14Å; K145-M288 VanDerWaalsContact NZ-O 3.11Å; K145-M288 PolarHBondContact NZ-OXT 3.15Å
146	H	97.9	Very high	96.3	Very high	21 Å²	21	52.8 Å²	52.8	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-72.1	-45.9	175.6	-65.4	-57	0	0	0	111.4	S103 A106 L107 E141 G142 I143 A144 A148 K149 L150	S103-H146 PolarHBondContact OG-CD2 3.26Å; A106-H146 HydrophobicContact CB-CB 4.26Å; A106-H146 WeakPolarHBondContact CB-O 3.35Å; L107-H146 WeakPolarHBondContact CD2-ND1 3.38Å; L107-H146 HydrophobicContact CG-CB 4.41Å; E141-H146 PolarHBondContact O-NE2 3.02Å; G142-H146 VanDerWaalsContact C-CD2 3.47Å; G142-H146 PolarHBondContact O-CD2 3Å; G142-H146 PolarHBondContact O-N 3.21Å; I143-H146 PolarHBondContact O-N 2.58Å; A144-H146 VanDerWaalsContact C-N 3.34Å; H146-A148 VanDerWaalsContact C-N 3.32Å; H146-A148 PolarHBondContact O-N 2.85Å; H146-K149 PolarHBondContact ND1-NZ 3.47Å; H146-K149 WeakPolarHBondContact O-CB 3.49Å; H146-K149 PolarHBondContact O-N 3.5Å; H146-K149 VanDerWaalsContact O-N 3.15Å; H146-L150 PolarHBondContact O-N 3.13Å
147	G	97.6	Very high	96.5	Very high	6 Å²	6	41.6 Å²	41.6	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-42.3	170.8	0	0	0	0	0	112.5	I143 K149 L150 V151	I143-G147 PolarHBondContact O-N 2.97Å; G147-K149 VanDerWaalsContact C-N 3.27Å; G147-K149 PolarHBondContact O-N 3.02Å; G147-L150 WeakPolarHBondContact O-CB 3.33Å; G147-L150 PolarHBondContact O-N 3.21Å; G147-V151 PolarHBondContact O-N 3.19Å
148	A	98	Very high	96.6	Very high	46 Å²	46	38.5 Å²	38.5	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-33.4	176.5	0	0	0	0	0	113.2	A144 H146 V151 M152	A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 2.83Å; H146-A148 VanDerWaalsContact C-N 3.32Å; H146-A148 PolarHBondContact O-N 2.85Å; A148-V151 PolarHBondContact O-N 3.45Å; A148-M152 VanDerWaalsContact O-CB 3.3Å; A148-M152 WeakPolarHBondContact O-CB 3.47Å; A148-M152 PolarHBondContact O-N 2.71Å
149	K	98.6	Very high	96.8	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.057	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-40.6	174	-66.8	170.2	-179.3	78	0	111.4	L107 A110 K145 H146 G147 A153 F286 R287 M288	L107-K149 HydrophobicContact CD2-CD 3.59Å; A110-K149 HydrophobicContact CB-CB 4.08Å; K145-K149 WeakPolarHBondContact O-CG 3.4Å; K145-K149 PolarHBondContact O-N 3.16Å; K145-K149 PolarHBondContact O-NZ 2.8Å; H146-K149 PolarHBondContact ND1-NZ 3.47Å; H146-K149 WeakPolarHBondContact O-CB 3.49Å; H146-K149 PolarHBondContact O-N 3.5Å; H146-K149 VanDerWaalsContact O-N 3.15Å; G147-K149 VanDerWaalsContact C-N 3.27Å; G147-K149 PolarHBondContact O-N 3.02Å; K149-A153 WeakPolarHBondContact O-CB 3.48Å; K149-A153 PolarHBondContact O-N 2.77Å; K149-F286 HydrophobicContact CB-CD1 3.96Å; K149-F286 HydrophobicContact CB-CE1 4.4Å; K149-F286 HydrophobicContact CG-CD1 4.03Å; K149-F286 WeakPolarHBondContact O-CE1 3.15Å; K149-R287 WeakPolarHBondContact CE-O 3.46Å; K149-R287 PolarHBondContact NZ-O 3.38Å; K149-M288 WeakPolarHBondContact CE-OXT 3.4Å; K149-M288 PolarHBondContact NZ-OXT 3.49Å
150	L	98.5	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-48.1	176.2	176.2	53.8	0	0	0	110.7	L80 A106 V113 H146 G147 M152 A153 V154 A176	L80-L150 HydrophobicContact CD2-CD2 4.48Å; A106-L150 HydrophobicContact CB-CB 4.25Å; A106-L150 HydrophobicContact CB-CD2 4.48Å; V113-L150 HydrophobicContact CG2-CD1 4.5Å; H146-L150 PolarHBondContact O-N 3.13Å; G147-L150 WeakPolarHBondContact O-CB 3.33Å; G147-L150 PolarHBondContact O-N 3.21Å; L150-M152 VanDerWaalsContact C-N 3.34Å; L150-M152 PolarHBondContact O-N 2.89Å; L150-A153 WeakPolarHBondContact O-CB 3.3Å; L150-A153 PolarHBondContact O-N 2.61Å; L150-A153 VanDerWaalsContact O-N 3.11Å; L150-V154 HydrophobicContact CD1-CG2 3.99Å; L150-V154 WeakPolarHBondContact O-CG2 3.36Å; L150-V154 PolarHBondContact O-N 2.87Å; L150-A176 HydrophobicContact CD2-CB 3.79Å; L150-A176 HydrophobicContact CG-CB 4.2Å
151	V	98.4	Very high	97.1	Very high	34 Å²	34	29.5 Å²	29.5	21%	0.206	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-43.5	177.6	175.1	0	0	0	0	111.8	G147 A148 A153 V154 S155 A176 Y182	G147-V151 PolarHBondContact O-N 3.19Å; A148-V151 PolarHBondContact O-N 3.45Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 2.85Å; V151-V154 PolarHBondContact O-N 3.44Å; V151-S155 WeakPolarHBondContact O-CB 3.39Å; V151-S155 PolarHBondContact O-N 2.96Å; V151-S155 PolarHBondContact O-OG 2.96Å; V151-S155 VanDerWaalsContact O-OG 3.1Å; V151-A176 HydrophobicContact CG2-CB 4.45Å; V151-Y182 HydrophobicContact CG1-CE1 3.69Å; V151-Y182 VanDerWaalsContact CG1-OH 3.25Å; V151-Y182 WeakPolarHBondContact CG1-OH 3.27Å
152	M	98.4	Very high	97.4	Very high	52 Å²	52	25.2 Å²	25.2	26%	0.256	15%	0.151	S	C	.	.	H	α-helix	trans	-59.9	-40.8	174.6	178.7	59.5	75.7	0	0	112.1	A148 L150 S155 C156 G284 V285 F286	A148-M152 VanDerWaalsContact O-CB 3.3Å; A148-M152 WeakPolarHBondContact O-CB 3.47Å; A148-M152 PolarHBondContact O-N 2.71Å; L150-M152 VanDerWaalsContact C-N 3.34Å; L150-M152 PolarHBondContact O-N 2.89Å; M152-S155 PolarHBondContact O-OG 3.15Å; M152-S155 VanDerWaalsContact O-OG 3.08Å; M152-C156 WeakPolarHBondContact O-CB 3.5Å; M152-C156 PolarHBondContact O-N 3.5Å; M152-C156 VanDerWaalsContact SD-SG 3.69Å; M152-G284 VanDerWaalsContact SD-CA 3.59Å; M152-V285 WeakPolarHBondContact CE-O 3.34Å; M152-F286 HydrophobicContact CB-CD1 4.21Å; M152-F286 HydrophobicContact CB-CE1 3.97Å; M152-F286 HydrophobicContact CG-CD1 4.01Å; M152-F286 HydrophobicContact CG-CE1 3.8Å; M152-F286 HydrophobicContact CG-CZ 4.13Å
153	A	98.4	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-44.4	177.9	0	0	0	0	0	111.4	A110 V113 K149 L150 V151 A157 F283 F286	A110-A153 HydrophobicContact CB-CB 4.32Å; V113-A153 HydrophobicContact CB-CB 3.86Å; V113-A153 HydrophobicContact CG1-CB 3.77Å; V113-A153 WeakPolarHBondContact CG1-O 3.44Å; V113-A153 HydrophobicContact CG2-CB 4.5Å; K149-A153 WeakPolarHBondContact O-CB 3.48Å; K149-A153 PolarHBondContact O-N 2.77Å; L150-A153 WeakPolarHBondContact O-CB 3.3Å; L150-A153 PolarHBondContact O-N 2.61Å; L150-A153 VanDerWaalsContact O-N 3.11Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 2.85Å; A153-A157 VanDerWaalsContact O-CB 3.31Å; A153-A157 WeakPolarHBondContact O-CB 3Å; A153-A157 PolarHBondContact O-N 3.48Å; A153-F283 HydrophobicContact CB-CE1 4.29Å; A153-F286 HydrophobicContact CB-CE1 4.3Å; A153-F286 HydrophobicContact CB-CZ 4.38Å
154	V	98.3	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-41.6	-179.5	170.9	0	0	0	0	112.3	V113 F125 L150 V151 K161 C178 Y182	V113-V154 HydrophobicContact CG2-CG2 4.31Å; F125-V154 HydrophobicContact CE1-CG2 3.88Å; F125-V154 HydrophobicContact CZ-CG1 4.34Å; F125-V154 HydrophobicContact CZ-CG2 3.91Å; L150-V154 HydrophobicContact CD1-CG2 3.99Å; L150-V154 WeakPolarHBondContact O-CG2 3.36Å; L150-V154 PolarHBondContact O-N 2.87Å; V151-V154 PolarHBondContact O-N 3.44Å; V154-K161 PolarHBondContact O-NZ 3.03Å; V154-C178 HydrophobicContact CG1-CB 3.61Å; V154-Y182 HydrophobicContact CG1-CD1 4Å; V154-Y182 HydrophobicContact CG1-CG 4.12Å
155	S	97.7	Very high	97.8	Very high	50 Å²	50	21.4 Å²	21.4	35%	0.35	12%	0.118	S	C	.	.	H	α-helix	trans	-68.1	-40.8	180	62.4	0	0	0	0	112.5	V151 M152	V151-S155 WeakPolarHBondContact O-CB 3.39Å; V151-S155 PolarHBondContact O-N 2.96Å; V151-S155 PolarHBondContact O-OG 2.96Å; V151-S155 VanDerWaalsContact O-OG 3.1Å; M152-S155 PolarHBondContact O-OG 3.15Å; M152-S155 VanDerWaalsContact O-OG 3.08Å
156	C	97.6	Very high	97.8	Very high	23 Å²	23	18.1 Å²	18.1	16%	0.155	10%	0.104	C	C	.	.	H	α-helix	trans	-85.5	-13.5	-177.7	-70.6	0	0	0	0	114.4	M152 K158 I282 F283 G284	M152-C156 WeakPolarHBondContact O-CB 3.5Å; M152-C156 PolarHBondContact O-N 3.5Å; M152-C156 VanDerWaalsContact SD-SG 3.69Å; C156-K158 PolarHBondContact O-N 3.07Å; C156-I282 WeakPolarHBondContact CB-O 3.42Å; C156-F283 HydrophobicContact CB-CB 4.45Å; C156-F283 HydrophobicContact CB-CD1 3.58Å; C156-F283 HydrophobicContact CB-CE1 4.15Å; C156-F283 HydrophobicContact CB-CG 4.28Å; C156-G284 PolarHBondContact SG-N 3.21Å; C156-G284 VanDerWaalsContact SG-N 3.44Å
157	A	97.1	Very high	97.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	10%	0.099	C	C	.	.			trans	-65.2	118.5	176.5	0	0	0	0	0	111	V113 S117 A153 V159 K161	V113-A157 HydrophobicContact CG1-CB 3.85Å; S117-A157 WeakPolarHBondContact OG-CB 3.32Å; A153-A157 VanDerWaalsContact O-CB 3.31Å; A153-A157 WeakPolarHBondContact O-CB 3Å; A153-A157 PolarHBondContact O-N 3.48Å; A157-V159 HydrophobicContact CB-CG2 4.3Å; A157-K161 HydrophobicContact CB-CD 4.36Å; A157-K161 PolarHBondContact O-NZ 3.46Å
158	K	95.5	Very high	97.6	Very high	103 Å²	103	16.9 Å²	16.9	45%	0.448	10%	0.097	S	C	.	.			trans	-98.4	-2.7	178.6	-62.6	-59.4	-174.7	-178	0	114.1	C156 Q279 S281	C156-K158 PolarHBondContact O-N 3.07Å; K158-Q279 HydrophobicContact CB-CB 3.7Å; K158-Q279 HydrophobicContact CG-CB 4.33Å; K158-S281 PolarHBondContact N-OG 3.47Å
159	V	95.4	Very high	97.6	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	8%	0.079	C	C	.	.	S	Bend	trans	-63.2	155.2	167.6	-66.6	0	0	0	0	110.2	I121 I123 A157 K161	I121-V159 WeakPolarHBondContact O-CB 3.15Å; I121-V159 WeakPolarHBondContact O-CG2 3.33Å; I123-V159 HydrophobicContact CD1-CG2 3.76Å; I123-V159 HydrophobicContact CG1-CG2 3.86Å; A157-V159 HydrophobicContact CB-CG2 4.3Å; V159-K161 PolarHBondContact O-N 2.92Å
160	P	96.1	Very high	97.4	Very high	9 Å²	9	15.3 Å²	15.3	6%	0.058	8%	0.081	C	C	.	.			trans	-56.6	133.1	174.2	-24.7	34.9	0	0	0	111.3	F26 P122 I123 A273 V274	F26-P160 HydrophobicContact CZ-CG 4.41Å; P122-P160 CarbonylContact C-O 3.51Å; P122-P160 VanDerWaalsContact CA-O 3.23Å; P122-P160 WeakPolarHBondContact CA-O 3.15Å; P122-P160 HydrophobicContact CB-CB 4.1Å; P122-P160 HydrophobicContact CG-CB 4.32Å; P122-P160 HydrophobicContact CG-CG 4.23Å; I123-P160 PolarHBondContact N-O 3.19Å; P160-A273 HydrophobicContact CB-CB 3.88Å; P160-V274 HydrophobicContact CG-CG1 4.31Å
161	K	97.9	Very high	97.3	Very high	13 Å²	13	16.1 Å²	16.1	6%	0.057	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	-179.8	-65.8	176	-57.1	-146.8	0	109.1	I123 F125 V154 A157 V159 Y182 P184 H185	I123-K161 CarbonylContact O-C 3.46Å; I123-K161 WeakPolarHBondContact O-CA 3.23Å; F125-K161 HydrophobicContact CE2-CB 4.37Å; F125-K161 HydrophobicContact CE2-CD 4.36Å; F125-K161 HydrophobicContact CE2-CG 4.21Å; V154-K161 PolarHBondContact O-NZ 3.03Å; A157-K161 HydrophobicContact CB-CD 4.36Å; A157-K161 PolarHBondContact O-NZ 3.46Å; V159-K161 PolarHBondContact O-N 2.92Å; K161-Y182 WeakPolarHBondContact CE-O 3.33Å; K161-Y182 PolarHBondContact NZ-O 2.87Å; K161-P184 HydrophobicContact CB-CB 4.33Å; K161-P184 CarbonylContact O-C 3.55Å; K161-P184 WeakPolarHBondContact O-CA 3.49Å; K161-H185 PolarHBondContact O-N 3.4Å
162	L	98.6	Very high	97.2	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.026	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142	171.3	-57.9	-179.7	0	0	0	108.5	I123 L124 F125 H185 F186 L266 A269 L270	I123-L162 PolarHBondContact O-N 3.35Å; L124-L162 CarbonylContact C-O 3.59Å; L124-L162 WeakPolarHBondContact CA-O 3.37Å; L124-L162 HydrophobicContact CD1-CB 4.01Å; F125-L162 PolarHBondContact N-O 2.83Å; L162-H185 HydrophobicContact CD2-CB 4.31Å; L162-F186 WeakPolarHBondContact CA-O 3.41Å; L162-F186 HydrophobicContact CD2-CB 4.01Å; L162-F186 HydrophobicContact CD2-CD2 3.85Å; L162-F186 HydrophobicContact CD2-CG 4.43Å; L162-L266 HydrophobicContact CB-CD2 4.39Å; L162-L266 HydrophobicContact CD1-CD2 4.24Å; L162-A269 HydrophobicContact CD1-CB 4.29Å; L162-A269 HydrophobicContact CD2-CB 4.06Å; L162-L270 HydrophobicContact CD1-CB 3.93Å; L162-L270 HydrophobicContact CD1-CD1 4.15Å
163	T	98.9	Very high	97.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.8	176.9	-61	0	0	0	0	109.4	F125 Q127 I165 C178 F186 L187 F188	F125-T163 HydrophobicContact CB-CG2 4.39Å; F125-T163 WeakPolarHBondContact O-CA 3.35Å; Q127-T163 HydrophobicContact CG-CG2 3.85Å; T163-I165 HydrophobicContact CG2-CG1 4.47Å; T163-C178 PolarHBondContact OG1-O 3.22Å; T163-F186 PolarHBondContact N-O 3.28Å; T163-L187 HydrophobicContact CG2-CD1 3.93Å; T163-L187 HydrophobicContact CG2-CG 3.9Å; T163-L187 CarbonylContact O-C 3.59Å; T163-L187 VanDerWaalsContact O-CA 3.29Å; T163-L187 WeakPolarHBondContact O-CA 3.44Å; T163-F188 PolarHBondContact O-N 3.19Å
164	L	98.8	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.1	172.5	-179.4	64.5	0	0	0	108.8	F125 L126 Q127 I166 F188 W190 I257 L266	F125-L164 PolarHBondContact O-N 2.76Å; L126-L164 CarbonylContact C-O 3.5Å; L126-L164 WeakPolarHBondContact CA-O 3.33Å; L126-L164 HydrophobicContact CD2-CB 3.97Å; L126-L164 HydrophobicContact CD2-CD2 4.06Å; L126-L164 HydrophobicContact CD2-CG 4.48Å; Q127-L164 PolarHBondContact N-O 3.05Å; L164-I166 HydrophobicContact CD2-CG2 3.74Å; L164-I166 HydrophobicContact CG-CG2 3.66Å; L164-I166 PolarHBondContact O-N 3.3Å; L164-F188 CarbonylContact C-O 3.51Å; L164-F188 WeakPolarHBondContact CA-O 3.37Å; L164-F188 HydrophobicContact CD1-CB 3.8Å; L164-W190 HydrophobicContact CD2-CZ2 4.4Å; L164-I257 HydrophobicContact CD1-CD1 3.8Å; L164-I257 HydrophobicContact CD1-CG1 4.28Å; L164-L266 HydrophobicContact CD2-CD1 4.09Å
165	I	98.4	Very high	97.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.8	175.7	-47.8	179.1	0	0	0	108.1	Q127 T163 L187 F188 T189 W190 A193 I195	Q127-I165 HydrophobicContact CB-CB 4.43Å; Q127-I165 HydrophobicContact CB-CG1 4.28Å; Q127-I165 HydrophobicContact CB-CG2 4.24Å; Q127-I165 HydrophobicContact CG-CG1 4.46Å; T163-I165 HydrophobicContact CG2-CG1 4.47Å; I165-L187 HydrophobicContact CD1-CD2 3.8Å; I165-L187 HydrophobicContact CG1-CD2 4.16Å; I165-F188 PolarHBondContact N-O 2.75Å; I165-T189 HydrophobicContact CB-CG2 4.34Å; I165-W190 PolarHBondContact O-N 3.23Å; I165-A193 HydrophobicContact CB-CB 4.32Å; I165-A193 HydrophobicContact CG2-CB 3.75Å; I165-A193 WeakPolarHBondContact O-CB 3.36Å; I165-I195 HydrophobicContact CD1-CD1 4.32Å
166	I	97.6	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-9.8	-176.9	65	169.8	0	0	0	112.7	V46 F54 I56 V59 L126 Q127 N128 L164 W190 N192	V46-I166 WeakPolarHBondContact CG1-O 3.42Å; F54-I166 HydrophobicContact CE2-CD1 4.16Å; F54-I166 HydrophobicContact CZ-CD1 3.95Å; I56-I166 HydrophobicContact CD1-CD1 3.28Å; V59-I166 HydrophobicContact CG2-CD1 4.46Å; L126-I166 HydrophobicContact CB-CD1 4.4Å; Q127-I166 WeakPolarHBondContact O-CG1 3.41Å; Q127-I166 PolarHBondContact O-N 3.3Å; N128-I166 HydrophobicContact CB-CD1 4.43Å; N128-I166 HydrophobicContact CB-CG1 4.08Å; L164-I166 HydrophobicContact CD2-CG2 3.74Å; L164-I166 HydrophobicContact CG-CG2 3.66Å; L164-I166 PolarHBondContact O-N 3.3Å; I166-W190 HydrophobicContact CB-CD2 3.86Å; I166-W190 HydrophobicContact CB-CE3 3.7Å; I166-W190 HydrophobicContact CB-CG 4.49Å; I166-W190 HydrophobicContact CB-CH2 4.31Å; I166-W190 HydrophobicContact CB-CZ2 4.46Å; I166-W190 HydrophobicContact CB-CZ3 3.97Å; I166-W190 HydrophobicContact CG2-CD2 3.74Å; I166-W190 HydrophobicContact CG2-CE3 4.03Å; I166-W190 HydrophobicContact CG2-CG 4.32Å; I166-W190 HydrophobicContact CG2-CH2 4.1Å; I166-W190 HydrophobicContact CG2-CZ2 3.81Å; I166-W190 HydrophobicContact CG2-CZ3 4.22Å; I166-N192 PolarHBondContact O-ND2 2.75Å
167	G	96.4	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-122.2	-178.2	0	0	0	0	0	112	L50 Q127 A193 K194	L50-G167 VanDerWaalsContact CD2-CA 3.43Å; Q127-G167 PolarHBondContact O-N 2.79Å; G167-A193 VanDerWaalsContact O-CA 3.22Å; G167-A193 WeakPolarHBondContact O-CA 3.44Å; G167-A193 VanDerWaalsContact O-CB 3.26Å; G167-A193 WeakPolarHBondContact O-CB 3.37Å; G167-K194 PolarHBondContact O-N 3.25Å
168	G	95.1	Very high	97.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.4	176.9	0	0	0	0	0	112.9	N128 V129	N128-G168 CarbonylContact C-O 3.53Å; N128-G168 WeakPolarHBondContact CA-O 3.45Å; N128-G168 PolarHBondContact OD1-N 2.85Å; V129-G168 PolarHBondContact N-O 3.49Å; V129-G168 CarbonylContact O-C 3.59Å
169	S	97.3	Very high	97.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	86.1	165.7	163.2	0	0	0	0	109	Q127 N174 K194 I195 S196	Q127-S169 PolarHBondContact OE1-OG 2.99Å; Q127-S169 VanDerWaalsContact OE1-OG 3.12Å; S169-N174 PolarHBondContact OG-ND2 3.36Å; S169-K194 PolarHBondContact N-O 3.31Å; S169-I195 WeakPolarHBondContact O-CA 3.3Å; S169-S196 PolarHBondContact O-N 2.9Å
170	Y	96.1	Very high	97.5	Very high	25 Å²	25	16.7 Å²	16.7	10%	0.098	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.2	-173.3	-54.8	-46	0	0	0	114.3	V129 T130 G173 N174 K194 S196	V129-Y170 PolarHBondContact O-N 3.14Å; V129-Y170 VanDerWaalsContact O-N 3.17Å; T130-Y170 HydrophobicContact CG2-CD2 4.36Å; Y170-G173 WeakPolarHBondContact O-CA 3.44Å; Y170-G173 PolarHBondContact O-N 3.31Å; Y170-N174 PolarHBondContact O-N 3.43Å; Y170-K194 HydrophobicContact CE1-CB 4.15Å; Y170-K194 VanDerWaalsContact OH-CB 3.27Å; Y170-K194 WeakPolarHBondContact OH-CB 3.42Å; Y170-S196 WeakPolarHBondContact CA-O 3.46Å; Y170-S196 WeakPolarHBondContact CD1-OG 3.42Å; Y170-S196 WeakPolarHBondContact CE1-OG 3Å
171	G	95.7	Very high	97.6	Very high	18 Å²	18	20.2 Å²	20.2	19%	0.186	11%	0.114	C	C	.	.	H	α-helix	trans	50.7	-136	167.2	0	0	0	0	0	114.5	G173 N174 S196 V197	G171-G173 PolarHBondContact O-N 2.88Å; G171-G173 VanDerWaalsContact O-N 3.15Å; G171-N174 WeakPolarHBondContact O-CB 3.44Å; G171-N174 PolarHBondContact O-N 2.84Å; G171-N174 VanDerWaalsContact O-N 3.12Å; G171-S196 PolarHBondContact N-O 3.15Å; G171-V197 WeakPolarHBondContact CA-O 3.23Å; G171-V197 PolarHBondContact N-O 3.28Å; G171-V197 VanDerWaalsContact N-O 3.11Å
172	A	95.7	Very high	97.6	Very high	49 Å²	49	21.7 Å²	21.7	41%	0.405	12%	0.12	S	C	.	.	H	α-helix	trans	-62.9	-19.7	179.7	0	0	0	0	0	113.7	F132 N174 Y175 A176	F132-A172 HydrophobicContact CD2-CB 3.85Å; F132-A172 HydrophobicContact CE2-CB 3.89Å; A172-N174 VanDerWaalsContact C-N 3.33Å; A172-Y175 HydrophobicContact CB-CD2 4.33Å; A172-Y175 WeakPolarHBondContact O-CB 3.31Å; A172-Y175 PolarHBondContact O-N 3.23Å; A172-A176 PolarHBondContact O-N 3.09Å; A172-A176 VanDerWaalsContact O-N 3.09Å
173	G	97.1	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-40.1	173.6	0	0	0	0	0	112.4	V129 Y170 G171 Y175 A176 M177	V129-G173 VanDerWaalsContact CG1-C 3.5Å; Y170-G173 WeakPolarHBondContact O-CA 3.44Å; Y170-G173 PolarHBondContact O-N 3.31Å; G171-G173 PolarHBondContact O-N 2.88Å; G171-G173 VanDerWaalsContact O-N 3.15Å; G173-Y175 PolarHBondContact O-N 2.98Å; G173-A176 PolarHBondContact O-N 2.71Å; G173-M177 WeakPolarHBondContact O-CB 3.13Å; G173-M177 WeakPolarHBondContact O-CG 3.5Å; G173-M177 PolarHBondContact O-N 2.78Å
174	N	98.3	Very high	97.5	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-40.6	174.8	175.5	-92.4	0	0	0	111.3	Q127 S169 Y170 G171 A172 G179	Q127-N174 PolarHBondContact NE2-O 3.46Å; S169-N174 PolarHBondContact OG-ND2 3.36Å; Y170-N174 PolarHBondContact O-N 3.43Å; G171-N174 WeakPolarHBondContact O-CB 3.44Å; G171-N174 PolarHBondContact O-N 2.84Å; G171-N174 VanDerWaalsContact O-N 3.12Å; A172-N174 VanDerWaalsContact C-N 3.33Å; N174-G179 WeakPolarHBondContact O-CA 3.45Å; N174-G179 PolarHBondContact O-N 2.93Å
175	Y	98	Very high	97.5	Very high	112 Å²	112	33.1 Å²	33.1	44%	0.439	17%	0.174	S	C	.	.	H	α-helix	trans	-68.3	-48.1	-180	-53.4	-21.5	0	0	0	112	A172 G173 M177 C178 Y182	A172-Y175 HydrophobicContact CB-CD2 4.33Å; A172-Y175 WeakPolarHBondContact O-CB 3.31Å; A172-Y175 PolarHBondContact O-N 3.23Å; G173-Y175 PolarHBondContact O-N 2.98Å; Y175-M177 PolarHBondContact O-N 3.03Å; Y175-C178 PolarHBondContact O-N 3.34Å; Y175-Y182 VanDerWaalsContact CA-CE2 3.41Å; Y175-Y182 WeakPolarHBondContact CB-OH 3.5Å; Y175-Y182 HydrophobicContact CD1-CE2 4.05Å; Y175-Y182 HydrophobicContact CG-CE2 4.14Å
176	A	97.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-27.4	179.8	0	0	0	0	0	113.1	I101 F132 L150 V151 A172 G173	I101-A176 HydrophobicContact CD1-CB 3.99Å; F132-A176 HydrophobicContact CE2-CB 3.99Å; F132-A176 HydrophobicContact CZ-CB 3.79Å; L150-A176 HydrophobicContact CD2-CB 3.79Å; L150-A176 HydrophobicContact CG-CB 4.2Å; V151-A176 HydrophobicContact CG2-CB 4.45Å; A172-A176 PolarHBondContact O-N 3.09Å; A172-A176 VanDerWaalsContact O-N 3.09Å; G173-A176 PolarHBondContact O-N 2.71Å
177	M	98.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	26.8	-176	-61.2	-62.4	-65.6	0	0	113.6	L80 I95 N97 I101 F125 Q127 V129 G173 Y175	L80-M177 HydrophobicContact CD1-CE 3.92Å; L80-M177 HydrophobicContact CD1-SD 3.59Å; L80-M177 VanDerWaalsContact CD1-SD 3.59Å; I95-M177 HydrophobicContact CB-CE 4.34Å; I95-M177 HydrophobicContact CG2-CE 3.65Å; I95-M177 HydrophobicContact CG2-SD 4.01Å; I95-M177 WeakPolarHBondContact O-CE 3.34Å; N97-M177 PolarHBondContact ND2-SD 3Å; N97-M177 VanDerWaalsContact ND2-SD 3.44Å; N97-M177 VanDerWaalsContact OD1-CE 3.25Å; N97-M177 WeakPolarHBondContact OD1-CE 3.24Å; N97-M177 WeakPolarHBondContact OD1-CG 3.36Å; I101-M177 HydrophobicContact CD1-CG 4.4Å; F125-M177 WeakPolarHBondContact CB-O 3.2Å; F125-M177 HydrophobicContact CD1-CE 4.24Å; F125-M177 WeakPolarHBondContact CD1-O 3.32Å; F125-M177 WeakPolarHBondContact CG-O 3.49Å; Q127-M177 HydrophobicContact CG-CB 3.76Å; Q127-M177 VanDerWaalsContact NE2-C 3.28Å; Q127-M177 PolarHBondContact NE2-O 2.85Å; V129-M177 HydrophobicContact CG1-CG 4.38Å; G173-M177 WeakPolarHBondContact O-CB 3.13Å; G173-M177 WeakPolarHBondContact O-CG 3.5Å; G173-M177 PolarHBondContact O-N 2.78Å; Y175-M177 PolarHBondContact O-N 3.03Å
178	C	98.7	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	52.7	176.4	-162.7	0	0	0	0	114	F125 V154 T163 Y175	F125-C178 HydrophobicContact CB-CB 4.44Å; F125-C178 HydrophobicContact CD1-CB 3.91Å; F125-C178 HydrophobicContact CD2-CB 3.42Å; F125-C178 VanDerWaalsContact CD2-CB 3.42Å; F125-C178 HydrophobicContact CE1-CB 3.93Å; F125-C178 HydrophobicContact CE2-CB 3.46Å; F125-C178 VanDerWaalsContact CE2-CB 3.46Å; F125-C178 HydrophobicContact CG-CB 3.66Å; F125-C178 HydrophobicContact CZ-CB 3.72Å; V154-C178 HydrophobicContact CG1-CB 3.61Å; T163-C178 PolarHBondContact OG1-O 3.22Å; Y175-C178 PolarHBondContact O-N 3.34Å
179	G	98.4	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.			trans	-62.9	-178.8	169.4	0	0	0	0	0	113.3	N174 A181 Y182	N174-G179 WeakPolarHBondContact O-CA 3.45Å; N174-G179 PolarHBondContact O-N 2.93Å; G179-A181 PolarHBondContact O-N 3.07Å; G179-Y182 PolarHBondContact O-N 2.8Å
180	R	98.5	Very high	97.9	Very high	93 Å²	93	37.1 Å²	37.1	35%	0.351	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-52.7	-37.1	-171.1	-169	56.6	162.7	-178.5	-9.5	114.4	Y182 E183 L187 L251 W252 D254	R180-Y182 PolarHBondContact O-N 2.85Å; R180-E183 PolarHBondContact O-N 3.26Å; R180-L187 HydrophobicContact CB-CD1 4.26Å; R180-L251 PolarHBondContact NE-O 2.93Å; R180-L251 PolarHBondContact NH2-O 3.31Å; R180-W252 VanDerWaalsContact CD-O 3.29Å; R180-W252 WeakPolarHBondContact CD-O 3.48Å; R180-W252 WeakPolarHBondContact CG-O 3.5Å; R180-D254 IonicContact CZ-OD1 2.75Å; R180-D254 VanDerWaalsContact CZ-OD1 3.27Å; R180-D254 VanDerWaalsContact NH1-CG 3.28Å; R180-D254 IonicContact NH1-OD1 3.63Å; R180-D254 PolarHBondContact NH1-OD1 3.32Å; R180-D254 IonicContact NH1-OD2 2.8Å; R180-D254 PolarHBondContact NH1-OD2 3.07Å; R180-D254 IonicContact NH2-OD1 2.72Å; R180-D254 PolarHBondContact NH2-OD1 3.31Å
181	A	98.2	Very high	97.9	Very high	83 Å²	83	39.1 Å²	39.1	69%	0.686	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-69.1	-11.3	-179.7	0	0	0	0	0	114.8	G179	G179-A181 PolarHBondContact O-N 3.07Å
182	Y	98.2	Very high	97.9	Very high	44 Å²	44	39.8 Å²	39.8	17%	0.173	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-100.5	12.8	-179.6	-66	-89.4	0	0	0	113	V151 V154 K161 Y175 G179 R180	V151-Y182 HydrophobicContact CG1-CE1 3.69Å; V151-Y182 VanDerWaalsContact CG1-OH 3.25Å; V151-Y182 WeakPolarHBondContact CG1-OH 3.27Å; V154-Y182 HydrophobicContact CG1-CD1 4Å; V154-Y182 HydrophobicContact CG1-CG 4.12Å; K161-Y182 WeakPolarHBondContact CE-O 3.33Å; K161-Y182 PolarHBondContact NZ-O 2.87Å; Y175-Y182 VanDerWaalsContact CA-CE2 3.41Å; Y175-Y182 WeakPolarHBondContact CB-OH 3.5Å; Y175-Y182 HydrophobicContact CD1-CE2 4.05Å; Y175-Y182 HydrophobicContact CG-CE2 4.14Å; G179-Y182 PolarHBondContact O-N 2.8Å; R180-Y182 PolarHBondContact O-N 2.85Å
183	E	97.2	Very high	97.9	Very high	156 Å²	156	37.5 Å²	37.5	73%	0.729	19%	0.188	S	C	*	.			trans	52	54.4	172.2	-55.4	177.3	155.4	0	0	112.9	R180	R180-E183 PolarHBondContact O-N 3.26Å
184	P	98.1	Very high	97.9	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.058	20%	0.198	C	C	.	.			trans	-59.7	146.4	162.4	30.8	-34.7	0	0	0	108.8	K161 F186 L187	K161-P184 HydrophobicContact CB-CB 4.33Å; K161-P184 CarbonylContact O-C 3.55Å; K161-P184 WeakPolarHBondContact O-CA 3.49Å; P184-F186 PolarHBondContact O-N 3Å; P184-L187 HydrophobicContact CG-CB 3.92Å; P184-L187 HydrophobicContact CG-CD1 4.2Å
185	H	97.2	Very high	97.8	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.37	20%	0.199	S	C	.	.	S	Bend	trans	-60.9	-36.1	176.7	-75.9	57.5	0	0	0	111.2	K161 L162 A273	K161-H185 PolarHBondContact O-N 3.4Å; L162-H185 HydrophobicContact CD2-CB 4.31Å; H185-A273 HydrophobicContact CB-CB 3.91Å
186	F	98.6	Very high	97.8	Very high	60 Å²	60	36.1 Å²	36.1	26%	0.263	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.5	170.1	-59.9	-84.3	0	0	0	109.8	L162 T163 P184 F188 D254 A269 V272	L162-F186 WeakPolarHBondContact CA-O 3.41Å; L162-F186 HydrophobicContact CD2-CB 4.01Å; L162-F186 HydrophobicContact CD2-CD2 3.85Å; L162-F186 HydrophobicContact CD2-CG 4.43Å; T163-F186 PolarHBondContact N-O 3.28Å; P184-F186 PolarHBondContact O-N 3Å; F186-F188 HydrophobicContact CB-CD2 4.33Å; F186-F188 HydrophobicContact CB-CE2 3.55Å; F186-F188 HydrophobicContact CB-CZ 3.81Å; F186-F188 HydrophobicContact CD1-CZ 4.1Å; F186-F188 HydrophobicContact CG-CE2 4.26Å; F186-F188 HydrophobicContact CG-CZ 4.17Å; F186-D254 VanDerWaalsContact CA-OD2 3.3Å; F186-D254 WeakPolarHBondContact CA-OD2 3.24Å; F186-A269 HydrophobicContact CB-CB 4.28Å; F186-A269 HydrophobicContact CD2-CB 3.56Å; F186-A269 HydrophobicContact CE2-CB 4.07Å; F186-A269 HydrophobicContact CG-CB 3.97Å; F186-V272 HydrophobicContact CE2-CB 4.42Å; F186-V272 HydrophobicContact CE2-CG1 4.48Å; F186-V272 HydrophobicContact CZ-CG1 4.41Å
187	L	98.8	Very high	97.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.9	171.1	-171.8	156.1	0	0	0	108.4	T163 I165 R180 P184 D253 D254	T163-L187 HydrophobicContact CG2-CD1 3.93Å; T163-L187 HydrophobicContact CG2-CG 3.9Å; T163-L187 CarbonylContact O-C 3.59Å; T163-L187 VanDerWaalsContact O-CA 3.29Å; T163-L187 WeakPolarHBondContact O-CA 3.44Å; I165-L187 HydrophobicContact CD1-CD2 3.8Å; I165-L187 HydrophobicContact CG1-CD2 4.16Å; R180-L187 HydrophobicContact CB-CD1 4.26Å; P184-L187 HydrophobicContact CG-CB 3.92Å; P184-L187 HydrophobicContact CG-CD1 4.2Å; L187-D253 HydrophobicContact CD2-CB 3.4Å; L187-D254 PolarHBondContact N-OD2 3.19Å; L187-D254 WeakPolarHBondContact O-CB 3.38Å; L187-D254 PolarHBondContact O-N 2.94Å
188	F	98.9	Very high	97.3	Very high	21 Å²	21	43.3 Å²	43.3	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	158.6	176.2	-59.7	-70.6	0	0	0	111	T163 L164 I165 F186 D254 I257 V265 L266 A269	T163-F188 PolarHBondContact O-N 3.19Å; L164-F188 CarbonylContact C-O 3.51Å; L164-F188 WeakPolarHBondContact CA-O 3.37Å; L164-F188 HydrophobicContact CD1-CB 3.8Å; I165-F188 PolarHBondContact N-O 2.75Å; F186-F188 HydrophobicContact CB-CD2 4.33Å; F186-F188 HydrophobicContact CB-CE2 3.55Å; F186-F188 HydrophobicContact CB-CZ 3.81Å; F186-F188 HydrophobicContact CD1-CZ 4.1Å; F186-F188 HydrophobicContact CG-CE2 4.26Å; F186-F188 HydrophobicContact CG-CZ 4.17Å; F188-D254 HydrophobicContact CD1-CB 4.41Å; F188-D254 HydrophobicContact CE1-CB 4.09Å; F188-I257 HydrophobicContact CB-CD1 3.96Å; F188-I257 HydrophobicContact CB-CG1 4.26Å; F188-I257 HydrophobicContact CB-CG2 4.39Å; F188-I257 HydrophobicContact CD1-CG2 3.98Å; F188-I257 HydrophobicContact CG-CD1 4.33Å; F188-I257 HydrophobicContact CG-CG2 4.34Å; F188-V265 HydrophobicContact CD1-CG1 4.26Å; F188-V265 HydrophobicContact CD2-CG1 3.79Å; F188-V265 HydrophobicContact CE1-CG1 4Å; F188-V265 HydrophobicContact CE2-CG1 3.49Å; F188-V265 VanDerWaalsContact CE2-CG1 3.49Å; F188-V265 HydrophobicContact CG-CG1 4.17Å; F188-V265 HydrophobicContact CZ-CG1 3.6Å; F188-L266 HydrophobicContact CD2-CD2 4.41Å; F188-A269 HydrophobicContact CE2-CB 4.08Å
189	T	98.6	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.1	-177.5	-56.9	0	0	0	0	109.8	I165 A193 A244 D253 G255 V256 I257	I165-T189 HydrophobicContact CB-CG2 4.34Å; T189-A193 HydrophobicContact CG2-CB 3.71Å; T189-A244 HydrophobicContact CG2-CB 3.81Å; T189-D253 VanDerWaalsContact OG1-CB 3.25Å; T189-D253 WeakPolarHBondContact OG1-CB 3.29Å; T189-D253 VanDerWaalsContact OG1-CG 3.31Å; T189-D253 PolarHBondContact OG1-OD2 3.07Å; T189-D253 VanDerWaalsContact OG1-OD2 3.11Å; T189-G255 PolarHBondContact N-O 3.16Å; T189-G255 VanDerWaalsContact N-O 3.15Å; T189-V256 CarbonylContact O-C 3.6Å; T189-V256 VanDerWaalsContact O-CA 3.24Å; T189-V256 WeakPolarHBondContact O-CA 3.33Å; T189-I257 PolarHBondContact O-N 3.32Å
190	W	98.2	Very high	96.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.008	24%	0.241	C	C	.	.			trans	-81.8	157.4	168.5	-76.8	2.6	0	0	0	111.8	L42 V46 V59 L164 I165 I166 N192 A193 P259 S262	L42-W190 HydrophobicContact CB-CH2 4.19Å; L42-W190 HydrophobicContact CD1-CH2 4.17Å; L42-W190 HydrophobicContact CD1-CZ2 4.12Å; L42-W190 HydrophobicContact CD2-CH2 4.24Å; L42-W190 HydrophobicContact CG-CH2 4.44Å; V46-W190 HydrophobicContact CB-CE3 4.45Å; V46-W190 HydrophobicContact CB-CZ3 3.74Å; V46-W190 HydrophobicContact CG1-CE3 4.23Å; V46-W190 HydrophobicContact CG1-CZ3 3.96Å; V46-W190 HydrophobicContact CG2-CE3 4.49Å; V46-W190 HydrophobicContact CG2-CH2 4.08Å; V46-W190 HydrophobicContact CG2-CZ3 3.48Å; V46-W190 VanDerWaalsContact CG2-CZ3 3.48Å; V59-W190 HydrophobicContact CG1-CH2 4.24Å; L164-W190 HydrophobicContact CD2-CZ2 4.4Å; I165-W190 PolarHBondContact O-N 3.23Å; I166-W190 HydrophobicContact CB-CD2 3.86Å; I166-W190 HydrophobicContact CB-CE3 3.7Å; I166-W190 HydrophobicContact CB-CG 4.49Å; I166-W190 HydrophobicContact CB-CH2 4.31Å; I166-W190 HydrophobicContact CB-CZ2 4.46Å; I166-W190 HydrophobicContact CB-CZ3 3.97Å; I166-W190 HydrophobicContact CG2-CD2 3.74Å; I166-W190 HydrophobicContact CG2-CE3 4.03Å; I166-W190 HydrophobicContact CG2-CG 4.32Å; I166-W190 HydrophobicContact CG2-CH2 4.1Å; I166-W190 HydrophobicContact CG2-CZ2 3.81Å; I166-W190 HydrophobicContact CG2-CZ3 4.22Å; W190-N192 VanDerWaalsContact C-N 3.27Å; W190-N192 WeakPolarHBondContact CB-OD1 3.42Å; W190-N192 PolarHBondContact O-N 2.84Å; W190-A193 HydrophobicContact CB-CB 4.48Å; W190-A193 WeakPolarHBondContact O-CB 3.42Å; W190-A193 PolarHBondContact O-N 3.5Å; W190-A193 VanDerWaalsContact O-N 3.07Å; W190-P259 HydrophobicContact CD2-CB 3.92Å; W190-P259 HydrophobicContact CD2-CG 3.77Å; W190-P259 HydrophobicContact CE3-CB 4.08Å; W190-P259 HydrophobicContact CE3-CG 3.92Å; W190-P259 HydrophobicContact CG-CG 4.05Å; W190-P259 HydrophobicContact CH2-CB 3.97Å; W190-P259 HydrophobicContact CZ2-CB 3.8Å; W190-P259 HydrophobicContact CZ3-CB 4.06Å; W190-P259 HydrophobicContact CZ3-CG 4.34Å; W190-S262 WeakPolarHBondContact CZ2-OG 3.47Å; W190-S262 PolarHBondContact NE1-OG 2.88Å
191	P	97.1	Very high	95.9	Very high	68 Å²	68	44.8 Å²	44.8	44%	0.442	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.5	-175.4	-21.1	34.5	0	0	0	113.5	A193 V256 I257	P191-A193 VanDerWaalsContact C-N 3.3Å; P191-V256 HydrophobicContact CB-CG1 4.29Å; P191-V256 HydrophobicContact CG-CG1 3.93Å; P191-I257 WeakPolarHBondContact CD-O 3.4Å
192	N	96.1	Very high	95.4	Very high	31 Å²	31	45.7 Å²	45.7	17%	0.166	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13	177.9	69.5	-62.2	0	0	0	113.3	I166 W190	I166-N192 PolarHBondContact O-ND2 2.75Å; W190-N192 VanDerWaalsContact C-N 3.27Å; W190-N192 WeakPolarHBondContact CB-OD1 3.42Å; W190-N192 PolarHBondContact O-N 2.84Å
193	A	96.3	Very high	95.1	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	24%	0.239	C	C	.	.			trans	-73.2	151.8	-170.7	0	0	0	0	0	111.9	I165 G167 T189 W190 P191	I165-A193 HydrophobicContact CB-CB 4.32Å; I165-A193 HydrophobicContact CG2-CB 3.75Å; I165-A193 WeakPolarHBondContact O-CB 3.36Å; G167-A193 VanDerWaalsContact O-CA 3.22Å; G167-A193 WeakPolarHBondContact O-CA 3.44Å; G167-A193 VanDerWaalsContact O-CB 3.26Å; G167-A193 WeakPolarHBondContact O-CB 3.37Å; T189-A193 HydrophobicContact CG2-CB 3.71Å; W190-A193 HydrophobicContact CB-CB 4.48Å; W190-A193 WeakPolarHBondContact O-CB 3.42Å; W190-A193 PolarHBondContact O-N 3.5Å; W190-A193 VanDerWaalsContact O-N 3.07Å; P191-A193 VanDerWaalsContact C-N 3.3Å
194	K	95.9	Very high	94.9	Very high	49 Å²	49	36.3 Å²	36.3	21%	0.213	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.7	177	-71.9	-174.6	-170.4	176.7	0	111.6	L50 G167 S169 Y170 E239 G242	L50-K194 HydrophobicContact CD1-CB 3.77Å; L50-K194 HydrophobicContact CD1-CD 3.56Å; L50-K194 HydrophobicContact CD1-CG 3.65Å; G167-K194 PolarHBondContact O-N 3.25Å; S169-K194 PolarHBondContact N-O 3.31Å; Y170-K194 HydrophobicContact CE1-CB 4.15Å; Y170-K194 VanDerWaalsContact OH-CB 3.27Å; Y170-K194 WeakPolarHBondContact OH-CB 3.42Å; K194-E239 VanDerWaalsContact CE-OE1 3.24Å; K194-E239 WeakPolarHBondContact CE-OE1 3.49Å; K194-E239 IonicContact NZ-OE1 2.93Å; K194-E239 PolarHBondContact NZ-OE1 3.14Å; K194-E239 IonicContact NZ-OE2 3.77Å; K194-E239 PolarHBondContact NZ-OE2 2.89Å; K194-G242 VanDerWaalsContact CA-O 3.22Å; K194-G242 WeakPolarHBondContact CA-O 3.44Å
195	I	97.2	Very high	94.7	Very high	30 Å²	30	37.5 Å²	37.5	15%	0.154	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.1	-179.4	-177.1	166.9	0	0	0	111.3	I165 S169 G242 A247 W252	I165-I195 HydrophobicContact CD1-CD1 4.32Å; S169-I195 WeakPolarHBondContact O-CA 3.3Å; I195-G242 PolarHBondContact N-O 3.1Å; I195-G242 WeakPolarHBondContact O-CA 3.48Å; I195-A247 HydrophobicContact CG2-CB 3.63Å; I195-W252 HydrophobicContact CG2-CE3 4.05Å; I195-W252 HydrophobicContact CG2-CZ3 4.32Å
196	S	96.3	Very high	94.5	Very high	27 Å²	27	36.9 Å²	36.9	19%	0.189	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	171	178.7	53.8	0	0	0	0	111	S169 Y170 G171 M198	S169-S196 PolarHBondContact O-N 2.9Å; Y170-S196 WeakPolarHBondContact CA-O 3.46Å; Y170-S196 WeakPolarHBondContact CD1-OG 3.42Å; Y170-S196 WeakPolarHBondContact CE1-OG 3Å; G171-S196 PolarHBondContact N-O 3.15Å; S196-M198 WeakPolarHBondContact CB-O 3.44Å; S196-M198 PolarHBondContact O-N 2.78Å; S196-M198 PolarHBondContact OG-O 2.96Å
197	V	95.1	Very high	94.2	Very high	94 Å²	94	38 Å²	38	57%	0.57	23%	0.225	S	C	*	.	S	Bend	trans	-62.2	-31.4	176.7	66.8	0	0	0	0	112.5	G171 F238	G171-V197 WeakPolarHBondContact CA-O 3.23Å; G171-V197 PolarHBondContact N-O 3.28Å; G171-V197 VanDerWaalsContact N-O 3.11Å; V197-F238 HydrophobicContact CG1-CE1 3.83Å; V197-F238 HydrophobicContact CG1-CZ 3.98Å
198	M	92.1	Very high	94	Very high	57 Å²	57	37.9 Å²	37.9	28%	0.281	23%	0.225	S	C	.	.	S	Bend	trans	-159.8	169.6	172.4	65.9	-171.9	74.9	0	0	109.3	S196 Q202 A203 F238	S196-M198 WeakPolarHBondContact CB-O 3.44Å; S196-M198 PolarHBondContact O-N 2.78Å; S196-M198 PolarHBondContact OG-O 2.96Å; M198-Q202 HydrophobicContact SD-CG 4.43Å; M198-A203 HydrophobicContact CG-CB 3.72Å; M198-A203 VanDerWaalsContact SD-CA 3.53Å; M198-A203 HydrophobicContact SD-CB 3.77Å; M198-F238 HydrophobicContact CG-CE1 3.92Å; M198-F238 HydrophobicContact CG-CZ 4.38Å; M198-F238 WeakPolarHBondContact O-CD1 3.41Å; M198-F238 VanDerWaalsContact O-CE1 3.26Å; M198-F238 WeakPolarHBondContact O-CE1 3.48Å
199	G	87.8	Confident	93.7	Very high	10 Å²	10	40.6 Å²	40.6	10%	0.103	24%	0.24	C	C	.	.			trans	-62.7	145	175.9	0	0	0	0	0	112.2	S201 Q202 A203	G199-S201 VanDerWaalsContact C-N 3.34Å; G199-S201 PolarHBondContact O-N 2.83Å; G199-Q202 WeakPolarHBondContact O-CA 3.46Å; G199-Q202 WeakPolarHBondContact O-CB 3.09Å; G199-Q202 PolarHBondContact O-N 3.37Å; G199-A203 PolarHBondContact O-N 3.48Å
200	G	89.3	Confident	93.5	Very high	17 Å²	17	45.5 Å²	45.5	18%	0.175	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-40.2	-176.1	0	0	0	0	0	114.1	Q202 A203 A204	G200-Q202 VanDerWaalsContact C-N 3.33Å; G200-Q202 PolarHBondContact O-N 2.82Å; G200-A203 PolarHBondContact O-N 2.82Å; G200-A204 VanDerWaalsContact O-CB 3.29Å; G200-A204 WeakPolarHBondContact O-CB 3.09Å; G200-A204 PolarHBondContact O-N 3.04Å
201	S	87.8	Confident	93.2	Very high	97 Å²	97	49.9 Å²	49.9	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-64.1	-37.7	173.9	54.8	0	0	0	0	112.4	G199 A205	G199-S201 VanDerWaalsContact C-N 3.34Å; G199-S201 PolarHBondContact O-N 2.83Å; S201-A205 WeakPolarHBondContact O-CB 3.43Å; S201-A205 PolarHBondContact O-N 2.72Å
202	Q	89	Confident	93	Very high	101 Å²	101	50.5 Å²	50.5	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-46.1	176.8	-172.3	-178.7	6.7	0	0	111.2	M198 G199 G200 A204 A205 V206	M198-Q202 HydrophobicContact SD-CG 4.43Å; G199-Q202 WeakPolarHBondContact O-CA 3.46Å; G199-Q202 WeakPolarHBondContact O-CB 3.09Å; G199-Q202 PolarHBondContact O-N 3.37Å; G200-Q202 VanDerWaalsContact C-N 3.33Å; G200-Q202 PolarHBondContact O-N 2.82Å; Q202-A204 PolarHBondContact O-N 3.39Å; Q202-A205 PolarHBondContact O-N 2.97Å; Q202-V206 WeakPolarHBondContact O-CG2 3.32Å; Q202-V206 PolarHBondContact O-N 2.88Å
203	A	91.3	Very high	92.9	Very high	2 Å²	2	54 Å²	54	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-46.8	175.7	0	0	0	0	0	111.7	M198 G199 G200 A205 V206 L207 I234 F238	M198-A203 HydrophobicContact CG-CB 3.72Å; M198-A203 VanDerWaalsContact SD-CA 3.53Å; M198-A203 HydrophobicContact SD-CB 3.77Å; G199-A203 PolarHBondContact O-N 3.48Å; G200-A203 PolarHBondContact O-N 2.82Å; A203-A205 PolarHBondContact O-N 3.15Å; A203-V206 PolarHBondContact O-N 3.44Å; A203-L207 WeakPolarHBondContact O-CB 3.29Å; A203-L207 WeakPolarHBondContact O-CG 3.44Å; A203-L207 PolarHBondContact O-N 3.08Å; A203-I234 HydrophobicContact CB-CG2 3.96Å; A203-F238 HydrophobicContact CB-CD1 4.13Å; A203-F238 HydrophobicContact CB-CD2 3.99Å; A203-F238 HydrophobicContact CB-CE1 3.65Å; A203-F238 HydrophobicContact CB-CE2 3.49Å; A203-F238 VanDerWaalsContact CB-CE2 3.49Å; A203-F238 HydrophobicContact CB-CG 4.29Å; A203-F238 HydrophobicContact CB-CZ 3.29Å
204	A	93.8	Very high	92.8	Very high	2 Å²	2	61.1 Å²	61.1	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-43.8	177.5	0	0	0	0	0	111.8	G200 Q202 A208 R231 I234 S235	G200-A204 VanDerWaalsContact O-CB 3.29Å; G200-A204 WeakPolarHBondContact O-CB 3.09Å; G200-A204 PolarHBondContact O-N 3.04Å; Q202-A204 PolarHBondContact O-N 3.39Å; A204-A208 WeakPolarHBondContact O-CB 3.5Å; A204-A208 PolarHBondContact O-N 3.34Å; A204-R231 HydrophobicContact CB-CB 4.03Å; A204-R231 HydrophobicContact CB-CG 4.09Å; A204-I234 HydrophobicContact CB-CB 4.23Å; A204-I234 HydrophobicContact CB-CG2 4.07Å; A204-S235 WeakPolarHBondContact CB-OG 3.44Å
205	A	92.9	Very high	92.6	Very high	33 Å²	33	59.3 Å²	59.3	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-47.3	178.1	0	0	0	0	0	112.4	S201 Q202 A203 A208 N209	S201-A205 WeakPolarHBondContact O-CB 3.43Å; S201-A205 PolarHBondContact O-N 2.72Å; Q202-A205 PolarHBondContact O-N 2.97Å; A203-A205 PolarHBondContact O-N 3.15Å; A205-A208 PolarHBondContact O-N 3.38Å; A205-N209 WeakPolarHBondContact O-CB 3.46Å; A205-N209 PolarHBondContact O-N 2.89Å; A205-N209 PolarHBondContact O-ND2 3.04Å
206	V	93	Very high	92.4	Very high	68 Å²	68	62.3 Å²	62.3	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-48.6	-180	171.5	0	0	0	0	111	Q202 A203 A208 N209 I210	Q202-V206 WeakPolarHBondContact O-CG2 3.32Å; Q202-V206 PolarHBondContact O-N 2.88Å; A203-V206 PolarHBondContact O-N 3.44Å; V206-A208 PolarHBondContact O-N 2.81Å; V206-N209 PolarHBondContact O-N 3.3Å; V206-I210 HydrophobicContact CG1-CD1 3.94Å; V206-I210 WeakPolarHBondContact O-CG1 3.48Å; V206-I210 PolarHBondContact O-N 2.88Å
207	L	92.7	Very high	92.3	Very high	83 Å²	83	65.3 Å²	65.3	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-68.2	-36.4	-178.5	-71.1	171.7	0	0	0	112.3	A203 K211 I234	A203-L207 WeakPolarHBondContact O-CB 3.29Å; A203-L207 WeakPolarHBondContact O-CG 3.44Å; A203-L207 PolarHBondContact O-N 3.08Å; L207-K211 WeakPolarHBondContact O-CB 3.28Å; L207-K211 PolarHBondContact O-N 3.38Å; L207-K211 VanDerWaalsContact O-N 3.09Å; L207-I234 HydrophobicContact CB-CD1 3.62Å; L207-I234 HydrophobicContact CD1-CD1 3.55Å; L207-I234 HydrophobicContact CD1-CG1 4.19Å; L207-I234 HydrophobicContact CD1-CG2 4.16Å; L207-I234 HydrophobicContact CG-CD1 4.22Å
208	A	93.7	Very high	92.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-43.4	172.7	0	0	0	0	0	111.8	A204 A205 V206 K211 K212 I230 R231	A204-A208 WeakPolarHBondContact O-CB 3.5Å; A204-A208 PolarHBondContact O-N 3.34Å; A205-A208 PolarHBondContact O-N 3.38Å; V206-A208 PolarHBondContact O-N 2.81Å; A208-K211 PolarHBondContact O-N 2.89Å; A208-K212 VanDerWaalsContact O-CB 3.31Å; A208-K212 WeakPolarHBondContact O-CB 3.18Å; A208-K212 PolarHBondContact O-N 2.94Å; A208-I230 HydrophobicContact CB-CG2 4.33Å; A208-R231 HydrophobicContact CB-CG 3.68Å
209	N	93.6	Very high	92.2	Very high	77 Å²	77	66 Å²	66	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-64	-45.3	178.5	-71.6	-15.3	0	0	0	112	A205 V206 K211 K212 D213	A205-N209 WeakPolarHBondContact O-CB 3.46Å; A205-N209 PolarHBondContact O-N 2.89Å; A205-N209 PolarHBondContact O-ND2 3.04Å; V206-N209 PolarHBondContact O-N 3.3Å; N209-K211 VanDerWaalsContact C-N 3.28Å; N209-K211 PolarHBondContact O-N 3.5Å; N209-K212 WeakPolarHBondContact O-CB 3.27Å; N209-K212 PolarHBondContact O-N 3.48Å; N209-D213 VanDerWaalsContact O-CG 3.27Å; N209-D213 PolarHBondContact O-N 2.97Å
210	I	93.5	Very high	92.4	Very high	105 Å²	105	71 Å²	71	54%	0.538	40%	0.396	S	S	.	.	H	α-helix	trans	-58.6	-42.5	176	-67.7	167.3	0	0	0	110.9	V206 R214	V206-I210 HydrophobicContact CG1-CD1 3.94Å; V206-I210 WeakPolarHBondContact O-CG1 3.48Å; V206-I210 PolarHBondContact O-N 2.88Å; I210-R214 PolarHBondContact O-N 2.9Å; I210-R214 VanDerWaalsContact O-N 3.13Å
211	K	91.8	Very high	92.2	Very high	94 Å²	94	78.5 Å²	78.5	41%	0.409	43%	0.426	S	S	.	.	H	α-helix	trans	-69.1	-40.3	179.8	-170.5	67.4	178.4	-178.5	0	111.7	L207 A208 N209 R214 C215 W222 I230	L207-K211 WeakPolarHBondContact O-CB 3.28Å; L207-K211 PolarHBondContact O-N 3.38Å; L207-K211 VanDerWaalsContact O-N 3.09Å; A208-K211 PolarHBondContact O-N 2.89Å; N209-K211 VanDerWaalsContact C-N 3.28Å; N209-K211 PolarHBondContact O-N 3.5Å; K211-R214 PolarHBondContact O-N 3.06Å; K211-C215 PolarHBondContact O-N 2.99Å; K211-W222 HydrophobicContact CB-CH2 3.82Å; K211-W222 HydrophobicContact CB-CZ3 4.17Å; K211-W222 HydrophobicContact CG-CH2 3.71Å; K211-W222 HydrophobicContact CG-CZ3 3.7Å; K211-I230 HydrophobicContact CG-CG1 4.45Å
212	K	93.8	Very high	92.3	Very high	81 Å²	81	75.9 Å²	75.9	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-58	-51.7	173.9	178.5	179.1	177.3	-175.5	0	111.1	A208 N209 R214 C215 L216 W222	A208-K212 VanDerWaalsContact O-CB 3.31Å; A208-K212 WeakPolarHBondContact O-CB 3.18Å; A208-K212 PolarHBondContact O-N 2.94Å; N209-K212 WeakPolarHBondContact O-CB 3.27Å; N209-K212 PolarHBondContact O-N 3.48Å; K212-R214 VanDerWaalsContact C-N 3.27Å; K212-R214 PolarHBondContact O-N 3.35Å; K212-C215 PolarHBondContact O-N 2.83Å; K212-C215 VanDerWaalsContact O-N 3.13Å; K212-L216 HydrophobicContact CG-CD1 3.91Å; K212-L216 HydrophobicContact CG-CG 4.4Å; K212-L216 WeakPolarHBondContact O-CG 3.38Å; K212-L216 PolarHBondContact O-N 3.46Å; K212-W222 HydrophobicContact CB-CD2 3.77Å; K212-W222 HydrophobicContact CB-CE3 4.22Å; K212-W222 HydrophobicContact CB-CG 4.17Å; K212-W222 HydrophobicContact CB-CH2 4.31Å; K212-W222 HydrophobicContact CB-CZ2 3.89Å; K212-W222 HydrophobicContact CB-CZ3 4.48Å; K212-W222 HydrophobicContact CD-CG 4.24Å; K212-W222 HydrophobicContact CG-CB 4.27Å; K212-W222 HydrophobicContact CG-CD2 3.87Å; K212-W222 HydrophobicContact CG-CG 3.71Å
213	D	93.9	Very high	92.4	Very high	104 Å²	104	75 Å²	75	56%	0.556	40%	0.4	S	S	*	.	H	α-helix	trans	-60.2	-40.6	-178.7	-67.4	-16.6	0	0	0	111.2	N209 A217	N209-D213 VanDerWaalsContact O-CG 3.27Å; N209-D213 PolarHBondContact O-N 2.97Å; D213-A217 VanDerWaalsContact O-CB 3.31Å; D213-A217 WeakPolarHBondContact O-CB 3.22Å; D213-A217 PolarHBondContact O-N 3.43Å
214	R	93.8	Very high	92.4	Very high	152 Å²	152	82.3 Å²	82.3	57%	0.574	43%	0.434	S	S	*	.	H	α-helix	trans	-65.2	-45	174	-175.8	176.7	173.4	166	4.7	112.7	I210 K211 K212 L216 A217 E218	I210-R214 PolarHBondContact O-N 2.9Å; I210-R214 VanDerWaalsContact O-N 3.13Å; K211-R214 PolarHBondContact O-N 3.06Å; K212-R214 VanDerWaalsContact C-N 3.27Å; K212-R214 PolarHBondContact O-N 3.35Å; R214-L216 VanDerWaalsContact C-N 3.33Å; R214-L216 PolarHBondContact O-N 3.03Å; R214-A217 PolarHBondContact O-N 3.46Å; R214-E218 WeakPolarHBondContact CG-OE1 3.26Å; R214-E218 IonicContact CZ-OE1 3Å; R214-E218 IonicContact NE-OE1 3.3Å; R214-E218 PolarHBondContact NE-OE1 3.4Å; R214-E218 IonicContact NH2-OE1 2.77Å; R214-E218 WeakPolarHBondContact O-CG 3.47Å; R214-E218 PolarHBondContact O-N 2.83Å
215	C	93	Very high	92.3	Very high	12 Å²	12	87.5 Å²	87.5	8%	0.081	46%	0.461	C	S	.	.	H	α-helix	trans	-60	-44.6	177.3	-88.9	0	0	0	0	111.5	K211 K212 E218 G219 K220 W222	K211-C215 PolarHBondContact O-N 2.99Å; K212-C215 PolarHBondContact O-N 2.83Å; K212-C215 VanDerWaalsContact O-N 3.13Å; C215-E218 CarbonylContact O-C 3.54Å; C215-E218 PolarHBondContact O-N 2.84Å; C215-G219 PolarHBondContact O-N 2.94Å; C215-K220 HydrophobicContact CB-CB 4.36Å; C215-K220 WeakPolarHBondContact O-CB 3.22Å; C215-K220 PolarHBondContact O-N 3.42Å; C215-W222 HydrophobicContact CB-CE3 3.85Å; C215-W222 HydrophobicContact CB-CZ3 4.32Å
216	L	93	Very high	92.1	Very high	92 Å²	92	89.5 Å²	89.5	48%	0.482	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-39.5	178.2	-66.7	174.6	0	0	0	111.9	K212 R214 E218 G219 W222	K212-L216 HydrophobicContact CG-CD1 3.91Å; K212-L216 HydrophobicContact CG-CG 4.4Å; K212-L216 WeakPolarHBondContact O-CG 3.38Å; K212-L216 PolarHBondContact O-N 3.46Å; R214-L216 VanDerWaalsContact C-N 3.33Å; R214-L216 PolarHBondContact O-N 3.03Å; L216-E218 VanDerWaalsContact C-N 3.26Å; L216-E218 PolarHBondContact O-N 3.11Å; L216-G219 PolarHBondContact O-N 3.06Å; L216-W222 HydrophobicContact CD2-CB 4.44Å
217	A	94.3	Very high	92	Very high	91 Å²	91	87.2 Å²	87.2	75%	0.752	45%	0.451	S	S	*	.	H	α-helix	trans	-64.5	-29.9	174.2	0	0	0	0	0	112.8	D213 R214 G219	D213-A217 VanDerWaalsContact O-CB 3.31Å; D213-A217 WeakPolarHBondContact O-CB 3.22Å; D213-A217 PolarHBondContact O-N 3.43Å; R214-A217 PolarHBondContact O-N 3.46Å; A217-G219 VanDerWaalsContact C-N 3.25Å; A217-G219 PolarHBondContact O-N 3.42Å
218	E	94.1	Very high	92	Very high	92 Å²	92	88.7 Å²	88.7	43%	0.43	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4	173.1	-68.6	174.3	-167.6	0	0	113	R214 C215 L216 K220	R214-E218 WeakPolarHBondContact CG-OE1 3.26Å; R214-E218 IonicContact CZ-OE1 3Å; R214-E218 IonicContact NE-OE1 3.3Å; R214-E218 PolarHBondContact NE-OE1 3.4Å; R214-E218 IonicContact NH2-OE1 2.77Å; R214-E218 WeakPolarHBondContact O-CG 3.47Å; R214-E218 PolarHBondContact O-N 2.83Å; C215-E218 CarbonylContact O-C 3.54Å; C215-E218 PolarHBondContact O-N 2.84Å; L216-E218 VanDerWaalsContact C-N 3.26Å; L216-E218 PolarHBondContact O-N 3.11Å; E218-K220 VanDerWaalsContact C-N 3.27Å; E218-K220 HydrophobicContact CB-CD 4.4Å; E218-K220 HydrophobicContact CB-CG 4.46Å; E218-K220 PolarHBondContact O-N 2.95Å; E218-K220 IonicContact OE2-NZ 2.73Å; E218-K220 PolarHBondContact OE2-NZ 3.29Å
219	G	90.6	Very high	92	Very high	72 Å²	72	96.4 Å²	96.4	74%	0.742	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	12.8	-179.6	0	0	0	0	0	114.8	C215 L216 A217	C215-G219 PolarHBondContact O-N 2.94Å; L216-G219 PolarHBondContact O-N 3.06Å; A217-G219 VanDerWaalsContact C-N 3.25Å; A217-G219 PolarHBondContact O-N 3.42Å
220	K	91.7	Very high	91.9	Very high	115 Å²	115	95.2 Å²	95.2	50%	0.5	48%	0.48	S	S	.	.			trans	-86.4	151	178.7	-64.6	171.9	-176.8	159.7	0	110.7	C215 E218	C215-K220 HydrophobicContact CB-CB 4.36Å; C215-K220 WeakPolarHBondContact O-CB 3.22Å; C215-K220 PolarHBondContact O-N 3.42Å; E218-K220 VanDerWaalsContact C-N 3.27Å; E218-K220 HydrophobicContact CB-CD 4.4Å; E218-K220 HydrophobicContact CB-CG 4.46Å; E218-K220 PolarHBondContact O-N 2.95Å; E218-K220 IonicContact OE2-NZ 2.73Å; E218-K220 PolarHBondContact OE2-NZ 3.29Å
221	Q	84.6	Confident	92	Very high	176 Å²	176	94.4 Å²	94.4	82%	0.822	47%	0.47	S	S	*	.			trans	-78.6	140.6	173.5	-70	-170.9	-7.2	0	0	110.9
222	W	89.8	Confident	92.1	Very high	41 Å²	41	94.2 Å²	94.2	16%	0.155	47%	0.471	C	S	.	.			trans	-113.2	124.9	173.8	-173.7	-92.4	0	0	0	109	K211 K212 C215 L216 E226 D227 I230	K211-W222 HydrophobicContact CB-CH2 3.82Å; K211-W222 HydrophobicContact CB-CZ3 4.17Å; K211-W222 HydrophobicContact CG-CH2 3.71Å; K211-W222 HydrophobicContact CG-CZ3 3.7Å; K212-W222 HydrophobicContact CB-CD2 3.77Å; K212-W222 HydrophobicContact CB-CE3 4.22Å; K212-W222 HydrophobicContact CB-CG 4.17Å; K212-W222 HydrophobicContact CB-CH2 4.31Å; K212-W222 HydrophobicContact CB-CZ2 3.89Å; K212-W222 HydrophobicContact CB-CZ3 4.48Å; K212-W222 HydrophobicContact CD-CG 4.24Å; K212-W222 HydrophobicContact CG-CB 4.27Å; K212-W222 HydrophobicContact CG-CD2 3.87Å; K212-W222 HydrophobicContact CG-CG 3.71Å; C215-W222 HydrophobicContact CB-CE3 3.85Å; C215-W222 HydrophobicContact CB-CZ3 4.32Å; L216-W222 HydrophobicContact CD2-CB 4.44Å; W222-E226 HydrophobicContact CD2-CB 4.41Å; W222-E226 HydrophobicContact CE3-CB 4.25Å; W222-E226 HydrophobicContact CZ3-CB 4.32Å; W222-D227 HydrophobicContact CZ2-CB 4.12Å; W222-I230 HydrophobicContact CH2-CG1 4.18Å
223	N	91.4	Very high	92.2	Very high	82 Å²	82	93.7 Å²	93.7	44%	0.439	48%	0.476	S	S	.	.			trans	-122.5	170.3	177.1	65.8	40	0	0	0	111.2	N225 E226 D227	N223-N225 PolarHBondContact O-N 3.22Å; N223-N225 WeakPolarHBondContact OD1-CA 3.38Å; N223-N225 WeakPolarHBondContact OD1-CB 3.37Å; N223-N225 PolarHBondContact OD1-N 2.67Å; N223-E226 PolarHBondContact O-N 3.15Å; N223-E226 PolarHBondContact OD1-N 3.28Å; N223-D227 PolarHBondContact O-N 3.17Å; N223-D227 VanDerWaalsContact O-N 3.11Å
224	E	91.2	Very high	92.2	Very high	156 Å²	156	89.8 Å²	89.8	73%	0.729	45%	0.454	S	S	*	.	H	α-helix	trans	-61.6	-28.3	-179.4	-66.6	-176.9	170.9	0	0	113.4	D227 K228	E224-D227 PolarHBondContact O-N 3.39Å; E224-K228 WeakPolarHBondContact O-CG 3.35Å; E224-K228 PolarHBondContact O-N 2.76Å
225	N	92.2	Very high	92.2	Very high	111 Å²	111	84.5 Å²	84.5	59%	0.594	44%	0.441	S	S	*	.	H	α-helix	trans	-71.7	-38.6	177.3	-78.9	-23.8	0	0	0	111.9	N223 D227 K229	N223-N225 PolarHBondContact O-N 3.22Å; N223-N225 WeakPolarHBondContact OD1-CA 3.38Å; N223-N225 WeakPolarHBondContact OD1-CB 3.37Å; N223-N225 PolarHBondContact OD1-N 2.67Å; N225-D227 VanDerWaalsContact C-N 3.32Å; N225-K229 WeakPolarHBondContact O-CB 2.99Å; N225-K229 VanDerWaalsContact O-CG 3.31Å; N225-K229 WeakPolarHBondContact O-CG 3.42Å; N225-K229 PolarHBondContact O-N 3.01Å
226	E	88.8	Confident	92.3	Very high	75 Å²	75	91.8 Å²	91.8	35%	0.35	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-42.3	171.6	-66.4	-152.4	158.3	0	0	111	W222 N223 K228 K229 I230	W222-E226 HydrophobicContact CD2-CB 4.41Å; W222-E226 HydrophobicContact CE3-CB 4.25Å; W222-E226 HydrophobicContact CZ3-CB 4.32Å; N223-E226 PolarHBondContact O-N 3.15Å; N223-E226 PolarHBondContact OD1-N 3.28Å; E226-K228 PolarHBondContact O-N 3.33Å; E226-K229 PolarHBondContact O-N 3.18Å; E226-I230 WeakPolarHBondContact O-CG1 3.45Å; E226-I230 PolarHBondContact O-N 3.44Å
227	D	90.9	Very high	92.5	Very high	21 Å²	21	91.9 Å²	91.9	11%	0.112	47%	0.465	C	S	.	.	H	α-helix	trans	-58.9	-48.1	177.3	-168.6	89.1	0	0	0	111.9	W222 N223 E224 N225 K229 I230 R231	W222-D227 HydrophobicContact CZ2-CB 4.12Å; N223-D227 PolarHBondContact O-N 3.17Å; N223-D227 VanDerWaalsContact O-N 3.11Å; E224-D227 PolarHBondContact O-N 3.39Å; N225-D227 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 2.9Å; D227-I230 PolarHBondContact O-N 3.21Å; D227-R231 WeakPolarHBondContact O-CB 3.46Å; D227-R231 WeakPolarHBondContact O-CG 3.42Å; D227-R231 PolarHBondContact O-N 3.48Å; D227-R231 IonicContact OD1-CZ 3.34Å; D227-R231 IonicContact OD1-NE 3.74Å; D227-R231 IonicContact OD1-NH1 3.67Å; D227-R231 IonicContact OD1-NH2 3.31Å; D227-R231 PolarHBondContact OD1-NH2 2.99Å; D227-R231 VanDerWaalsContact OD2-CD 3.25Å; D227-R231 WeakPolarHBondContact OD2-CD 3.39Å; D227-R231 IonicContact OD2-CZ 2.94Å; D227-R231 IonicContact OD2-NE 3.24Å; D227-R231 PolarHBondContact OD2-NE 3.32Å; D227-R231 IonicContact OD2-NH1 2.64Å; D227-R231 PolarHBondContact OD2-NH1 3.44Å; D227-R231 IonicContact OD2-NH2 3.67Å
228	K	93.4	Very high	92.5	Very high	113 Å²	113	89.1 Å²	89.1	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-43.4	175.2	-76.9	-176.7	-179.1	178.1	0	113	E224 E226 I230 R231 E232	E224-K228 WeakPolarHBondContact O-CG 3.35Å; E224-K228 PolarHBondContact O-N 2.76Å; E226-K228 PolarHBondContact O-N 3.33Å; K228-I230 PolarHBondContact O-N 3.1Å; K228-I230 VanDerWaalsContact O-N 3.17Å; K228-R231 PolarHBondContact O-N 3.11Å; K228-E232 WeakPolarHBondContact O-CB 3.32Å; K228-E232 WeakPolarHBondContact O-CG 3.47Å; K228-E232 PolarHBondContact O-N 3.45Å
229	K	92.9	Very high	92.5	Very high	163 Å²	163	89.1 Å²	89.1	71%	0.709	44%	0.436	S	S	*	.	H	α-helix	trans	-58.5	-28.5	178.3	-79.6	178.9	-177.6	-178.7	0	112.9	N225 E226 D227 P233	N225-K229 WeakPolarHBondContact O-CB 2.99Å; N225-K229 VanDerWaalsContact O-CG 3.31Å; N225-K229 WeakPolarHBondContact O-CG 3.42Å; N225-K229 PolarHBondContact O-N 3.01Å; E226-K229 PolarHBondContact O-N 3.18Å; D227-K229 PolarHBondContact O-N 2.9Å; K229-P233 VanDerWaalsContact O-CD 3.22Å; K229-P233 WeakPolarHBondContact O-CD 3.15Å; K229-P233 VanDerWaalsContact O-CG 3.25Å; K229-P233 WeakPolarHBondContact O-CG 3.45Å
230	I	91.8	Very high	92.7	Very high	52 Å²	52	90.7 Å²	90.7	27%	0.267	43%	0.427	S	S	.	.	H	α-helix	trans	-86.2	-48.2	174.4	-59.5	-57.3	0	0	0	111	A208 K211 W222 E226 D227 K228 P233 I234	A208-I230 HydrophobicContact CB-CG2 4.33Å; K211-I230 HydrophobicContact CG-CG1 4.45Å; W222-I230 HydrophobicContact CH2-CG1 4.18Å; E226-I230 WeakPolarHBondContact O-CG1 3.45Å; E226-I230 PolarHBondContact O-N 3.44Å; D227-I230 PolarHBondContact O-N 3.21Å; K228-I230 PolarHBondContact O-N 3.1Å; K228-I230 VanDerWaalsContact O-N 3.17Å; I230-P233 WeakPolarHBondContact O-CD 3.44Å; I230-P233 WeakPolarHBondContact O-CG 3.36Å; I230-I234 HydrophobicContact CG2-CD1 3.83Å; I230-I234 VanDerWaalsContact O-CD1 3.23Å; I230-I234 WeakPolarHBondContact O-CD1 3.49Å; I230-I234 WeakPolarHBondContact O-CG1 3.37Å
231	R	94.5	Very high	93	Very high	87 Å²	87	88.8 Å²	88.8	33%	0.328	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-40.6	-172.5	-72.9	-170.7	174.4	146.7	8.3	114.2	A204 A208 D227 K228 S235	A204-R231 HydrophobicContact CB-CB 4.03Å; A204-R231 HydrophobicContact CB-CG 4.09Å; A208-R231 HydrophobicContact CB-CG 3.68Å; D227-R231 WeakPolarHBondContact O-CB 3.46Å; D227-R231 WeakPolarHBondContact O-CG 3.42Å; D227-R231 PolarHBondContact O-N 3.48Å; D227-R231 IonicContact OD1-CZ 3.34Å; D227-R231 IonicContact OD1-NE 3.74Å; D227-R231 IonicContact OD1-NH1 3.67Å; D227-R231 IonicContact OD1-NH2 3.31Å; D227-R231 PolarHBondContact OD1-NH2 2.99Å; D227-R231 VanDerWaalsContact OD2-CD 3.25Å; D227-R231 WeakPolarHBondContact OD2-CD 3.39Å; D227-R231 IonicContact OD2-CZ 2.94Å; D227-R231 IonicContact OD2-NE 3.24Å; D227-R231 PolarHBondContact OD2-NE 3.32Å; D227-R231 IonicContact OD2-NH1 2.64Å; D227-R231 PolarHBondContact OD2-NH1 3.44Å; D227-R231 IonicContact OD2-NH2 3.67Å; K228-R231 PolarHBondContact O-N 3.11Å; R231-S235 WeakPolarHBondContact O-CB 3.44Å; R231-S235 PolarHBondContact O-N 3.44Å; R231-S235 PolarHBondContact O-OG 3.25Å
232	E	94.3	Very high	93.6	Very high	91 Å²	91	80.4 Å²	80.4	43%	0.425	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-51.3	-175.6	-75.4	-175	-164.9	0	0	114.7	K228 I234 S235 R236	K228-E232 WeakPolarHBondContact O-CB 3.32Å; K228-E232 WeakPolarHBondContact O-CG 3.47Å; K228-E232 PolarHBondContact O-N 3.45Å; E232-I234 VanDerWaalsContact C-N 3.28Å; E232-I234 PolarHBondContact O-N 2.87Å; E232-S235 PolarHBondContact O-N 3.04Å; E232-R236 PolarHBondContact O-N 2.88Å; E232-R236 IonicContact OE2-NH2 2.91Å; E232-R236 PolarHBondContact OE2-NH2 3.23Å
233	P	95.5	Very high	93.9	Very high	69 Å²	69	82 Å²	82	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-37.3	-179.9	23	-33.2	0	0	0	111.7	K229 I230 R236 Q237	K229-P233 VanDerWaalsContact O-CD 3.22Å; K229-P233 WeakPolarHBondContact O-CD 3.15Å; K229-P233 VanDerWaalsContact O-CG 3.25Å; K229-P233 WeakPolarHBondContact O-CG 3.45Å; I230-P233 WeakPolarHBondContact O-CD 3.44Å; I230-P233 WeakPolarHBondContact O-CG 3.36Å; P233-R236 PolarHBondContact O-N 2.97Å; P233-Q237 WeakPolarHBondContact O-CB 3.36Å; P233-Q237 PolarHBondContact O-N 2.73Å
234	I	94.4	Very high	94.2	Very high	22 Å²	22	78.1 Å²	78.1	11%	0.113	37%	0.37	C	S	.	.	H	α-helix	trans	-65.1	-47.6	176.5	-62.7	165.6	0	0	0	110.3	A203 A204 L207 I230 E232 R236 Q237 F238	A203-I234 HydrophobicContact CB-CG2 3.96Å; A204-I234 HydrophobicContact CB-CB 4.23Å; A204-I234 HydrophobicContact CB-CG2 4.07Å; L207-I234 HydrophobicContact CB-CD1 3.62Å; L207-I234 HydrophobicContact CD1-CD1 3.55Å; L207-I234 HydrophobicContact CD1-CG1 4.19Å; L207-I234 HydrophobicContact CD1-CG2 4.16Å; L207-I234 HydrophobicContact CG-CD1 4.22Å; I230-I234 HydrophobicContact CG2-CD1 3.83Å; I230-I234 VanDerWaalsContact O-CD1 3.23Å; I230-I234 WeakPolarHBondContact O-CD1 3.49Å; I230-I234 WeakPolarHBondContact O-CG1 3.37Å; E232-I234 VanDerWaalsContact C-N 3.28Å; E232-I234 PolarHBondContact O-N 2.87Å; I234-R236 VanDerWaalsContact C-N 3.31Å; I234-R236 PolarHBondContact O-N 3.1Å; I234-Q237 WeakPolarHBondContact O-CB 3.25Å; I234-Q237 PolarHBondContact O-N 3.45Å; I234-F238 HydrophobicContact CG2-CD2 3.92Å; I234-F238 HydrophobicContact CG2-CE2 3.96Å; I234-F238 VanDerWaalsContact O-CD2 3.31Å; I234-F238 WeakPolarHBondContact O-CD2 3.39Å; I234-F238 PolarHBondContact O-N 3.29Å
235	S	94.1	Very high	94.5	Very high	42 Å²	42	76 Å²	76	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-60.4	-42.6	179.3	-58.1	0	0	0	0	111.2	A204 R231 E232 F238 E239	A204-S235 WeakPolarHBondContact CB-OG 3.44Å; R231-S235 WeakPolarHBondContact O-CB 3.44Å; R231-S235 PolarHBondContact O-N 3.44Å; R231-S235 PolarHBondContact O-OG 3.25Å; E232-S235 PolarHBondContact O-N 3.04Å; S235-F238 PolarHBondContact O-N 3Å; S235-E239 WeakPolarHBondContact O-CB 3.42Å; S235-E239 PolarHBondContact O-N 3.21Å
236	R	95	Very high	94.8	Very high	164 Å²	164	73.3 Å²	73.3	62%	0.619	34%	0.344	S	S	*	.	H	α-helix	trans	-64.1	-41.1	175.4	-78.3	-175.4	-117.1	174.7	-4.1	112.7	E232 P233 I234 E239 N240	E232-R236 PolarHBondContact O-N 2.88Å; E232-R236 IonicContact OE2-NH2 2.91Å; E232-R236 PolarHBondContact OE2-NH2 3.23Å; P233-R236 PolarHBondContact O-N 2.97Å; I234-R236 VanDerWaalsContact C-N 3.31Å; I234-R236 PolarHBondContact O-N 3.1Å; R236-E239 PolarHBondContact O-N 3.46Å; R236-N240 WeakPolarHBondContact O-CB 3.12Å; R236-N240 PolarHBondContact O-N 2.92Å
237	Q	96.3	Very high	95.3	Very high	94 Å²	94	69.8 Å²	69.8	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-50.3	176.6	-176.4	-174.8	-3.4	0	0	110.7	P233 I234 E239 N240 E241	P233-Q237 WeakPolarHBondContact O-CB 3.36Å; P233-Q237 PolarHBondContact O-N 2.73Å; I234-Q237 WeakPolarHBondContact O-CB 3.25Å; I234-Q237 PolarHBondContact O-N 3.45Å; Q237-E239 VanDerWaalsContact C-N 3.31Å; Q237-E239 PolarHBondContact O-N 2.89Å; Q237-N240 PolarHBondContact O-N 3.13Å; Q237-E241 HydrophobicContact CG-CG 4.26Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.46Å; Q237-E241 PolarHBondContact NE2-OE1 3.4Å; Q237-E241 WeakPolarHBondContact O-CB 3.09Å; Q237-E241 WeakPolarHBondContact O-CG 3.23Å; Q237-E241 PolarHBondContact O-N 2.85Å
238	F	95.4	Very high	95.6	Very high	34 Å²	34	70.7 Å²	70.7	15%	0.149	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-32.8	179.9	-85.7	-107.5	0	0	0	112.9	V197 M198 A203 I234 S235 G242	V197-F238 HydrophobicContact CG1-CE1 3.83Å; V197-F238 HydrophobicContact CG1-CZ 3.98Å; M198-F238 HydrophobicContact CG-CE1 3.92Å; M198-F238 HydrophobicContact CG-CZ 4.38Å; M198-F238 WeakPolarHBondContact O-CD1 3.41Å; M198-F238 VanDerWaalsContact O-CE1 3.26Å; M198-F238 WeakPolarHBondContact O-CE1 3.48Å; A203-F238 HydrophobicContact CB-CD1 4.13Å; A203-F238 HydrophobicContact CB-CD2 3.99Å; A203-F238 HydrophobicContact CB-CE1 3.65Å; A203-F238 HydrophobicContact CB-CE2 3.49Å; A203-F238 VanDerWaalsContact CB-CE2 3.49Å; A203-F238 HydrophobicContact CB-CG 4.29Å; A203-F238 HydrophobicContact CB-CZ 3.29Å; I234-F238 HydrophobicContact CG2-CD2 3.92Å; I234-F238 HydrophobicContact CG2-CE2 3.96Å; I234-F238 VanDerWaalsContact O-CD2 3.31Å; I234-F238 WeakPolarHBondContact O-CD2 3.39Å; I234-F238 PolarHBondContact O-N 3.29Å; S235-F238 PolarHBondContact O-N 3Å; F238-G242 VanDerWaalsContact O-CA 3.31Å; F238-G242 WeakPolarHBondContact O-CA 3.39Å; F238-G242 PolarHBondContact O-N 3.11Å
239	E	93	Very high	95.9	Very high	92 Å²	92	68.7 Å²	68.7	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-45.4	173.9	-170.8	61.8	-159.3	0	0	111.4	K194 S235 R236 Q237 H243	K194-E239 VanDerWaalsContact CE-OE1 3.24Å; K194-E239 WeakPolarHBondContact CE-OE1 3.49Å; K194-E239 IonicContact NZ-OE1 2.93Å; K194-E239 PolarHBondContact NZ-OE1 3.14Å; K194-E239 IonicContact NZ-OE2 3.77Å; K194-E239 PolarHBondContact NZ-OE2 2.89Å; S235-E239 WeakPolarHBondContact O-CB 3.42Å; S235-E239 PolarHBondContact O-N 3.21Å; R236-E239 PolarHBondContact O-N 3.46Å; Q237-E239 VanDerWaalsContact C-N 3.31Å; Q237-E239 PolarHBondContact O-N 2.89Å; E239-H243 PolarHBondContact O-N 3.43Å
240	N	96.4	Very high	96.1	Very high	105 Å²	105	66.3 Å²	66.3	56%	0.561	33%	0.326	S	S	*	.	H	α-helix	trans	-70.6	-51.4	-179.3	-176.8	49	0	0	0	112.2	R236 Q237 G242 H243 Y246	R236-N240 WeakPolarHBondContact O-CB 3.12Å; R236-N240 PolarHBondContact O-N 2.92Å; Q237-N240 PolarHBondContact O-N 3.13Å; N240-G242 VanDerWaalsContact C-N 3.27Å; N240-G242 PolarHBondContact O-N 3.39Å; N240-H243 PolarHBondContact O-N 2.77Å; N240-Y246 VanDerWaalsContact O-CB 3.26Å; N240-Y246 WeakPolarHBondContact O-CB 3.42Å
241	E	97.6	Very high	96.4	Very high	74 Å²	74	69.7 Å²	69.7	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-72.4	-23.1	-178.1	-65.2	-177.6	-162.6	0	0	112.6	Q237 Y246	Q237-E241 HydrophobicContact CG-CG 4.26Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.46Å; Q237-E241 PolarHBondContact NE2-OE1 3.4Å; Q237-E241 WeakPolarHBondContact O-CB 3.09Å; Q237-E241 WeakPolarHBondContact O-CG 3.23Å; Q237-E241 PolarHBondContact O-N 2.85Å; E241-Y246 HydrophobicContact CB-CD1 4.28Å; E241-Y246 HydrophobicContact CB-CE1 4.01Å; E241-Y246 HydrophobicContact CG-CE1 4.14Å; E241-Y246 HydrophobicContact CG-CE2 4.08Å; E241-Y246 WeakPolarHBondContact O-CD1 3.49Å
242	G	96.6	Very high	96.6	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-87.1	-11.5	179.2	0	0	0	0	0	115	K194 I195 F238 N240	K194-G242 VanDerWaalsContact CA-O 3.22Å; K194-G242 WeakPolarHBondContact CA-O 3.44Å; I195-G242 PolarHBondContact N-O 3.1Å; I195-G242 WeakPolarHBondContact O-CA 3.48Å; F238-G242 VanDerWaalsContact O-CA 3.31Å; F238-G242 WeakPolarHBondContact O-CA 3.39Å; F238-G242 PolarHBondContact O-N 3.11Å; N240-G242 VanDerWaalsContact C-N 3.27Å; N240-G242 PolarHBondContact O-N 3.39Å
243	H	96.5	Very high	96.8	Very high	74 Å²	74	66.1 Å²	66.1	34%	0.343	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-65.4	142.1	-177.1	-164.5	-86.8	0	0	0	111.9	E239 N240 L245 Y246 A247	E239-H243 PolarHBondContact O-N 3.43Å; N240-H243 PolarHBondContact O-N 2.77Å; H243-L245 PolarHBondContact ND1-N 2.85Å; H243-L245 PolarHBondContact O-N 3.49Å; H243-L245 VanDerWaalsContact O-N 3.15Å; H243-Y246 WeakPolarHBondContact O-CA 3.35Å; H243-Y246 VanDerWaalsContact O-CB 3.31Å; H243-Y246 WeakPolarHBondContact O-CB 3.36Å; H243-Y246 PolarHBondContact O-N 3.43Å; H243-A247 PolarHBondContact O-N 3.03Å
244	A	97.4	Very high	97	Very high	2 Å²	2	66 Å²	66	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-52.2	-40.4	179.9	0	0	0	0	0	113.1	T189 Y246 A247 T248 V256	T189-A244 HydrophobicContact CG2-CB 3.81Å; A244-Y246 VanDerWaalsContact C-N 3.32Å; A244-Y246 PolarHBondContact O-N 3.16Å; A244-A247 PolarHBondContact O-N 3.11Å; A244-T248 WeakPolarHBondContact O-CB 3.48Å; A244-T248 PolarHBondContact O-N 2.64Å; A244-V256 HydrophobicContact CB-CG2 3.98Å
245	L	97.8	Very high	97.2	Very high	111 Å²	111	65.8 Å²	65.8	58%	0.581	33%	0.326	S	S	*	.	H	α-helix	trans	-63.6	-33.6	175.3	-64.5	177.6	0	0	0	113.7	H243 A249	H243-L245 PolarHBondContact ND1-N 2.85Å; H243-L245 PolarHBondContact O-N 3.49Å; H243-L245 VanDerWaalsContact O-N 3.15Å; L245-A249 VanDerWaalsContact O-CB 3.23Å; L245-A249 WeakPolarHBondContact O-CB 3.06Å; L245-A249 PolarHBondContact O-N 3.01Å
246	Y	98.6	Very high	97.4	Very high	54 Å²	54	66.2 Å²	66.2	21%	0.212	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-41.2	176.8	-171.5	-84	0	0	0	111	N240 E241 H243 A244 R250 W252	N240-Y246 VanDerWaalsContact O-CB 3.26Å; N240-Y246 WeakPolarHBondContact O-CB 3.42Å; E241-Y246 HydrophobicContact CB-CD1 4.28Å; E241-Y246 HydrophobicContact CB-CE1 4.01Å; E241-Y246 HydrophobicContact CG-CE1 4.14Å; E241-Y246 HydrophobicContact CG-CE2 4.08Å; E241-Y246 WeakPolarHBondContact O-CD1 3.49Å; H243-Y246 WeakPolarHBondContact O-CA 3.35Å; H243-Y246 VanDerWaalsContact O-CB 3.31Å; H243-Y246 WeakPolarHBondContact O-CB 3.36Å; H243-Y246 PolarHBondContact O-N 3.43Å; A244-Y246 VanDerWaalsContact C-N 3.32Å; A244-Y246 PolarHBondContact O-N 3.16Å; Y246-R250 VanDerWaalsContact CE1-NE 3.31Å; Y246-R250 PolarHBondContact O-NH1 3.21Å; Y246-R250 PolarHBondContact OH-NE 2.99Å; Y246-R250 PolarHBondContact OH-NH2 3.17Å; Y246-W252 AromaticContact CD1-CH2 4Å; Y246-W252 HydrophobicContact CD1-CH2 4Å; Y246-W252 HydrophobicContact CD1-CZ3 4.18Å; Y246-W252 AromaticContact CE1-CH2 3.79Å; Y246-W252 HydrophobicContact CE1-CH2 3.79Å; Y246-W252 HydrophobicContact CE1-CZ2 4.32Å; Y246-W252 HydrophobicContact CE1-CZ3 4.43Å
247	A	98.2	Very high	97.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-50.4	178.3	0	0	0	0	0	112.3	I195 H243 A244 A249 R250 L251 W252	I195-A247 HydrophobicContact CG2-CB 3.63Å; H243-A247 PolarHBondContact O-N 3.03Å; A244-A247 PolarHBondContact O-N 3.11Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 3.26Å; A247-R250 CarbonylContact O-C 3.54Å; A247-R250 WeakPolarHBondContact O-CA 3.23Å; A247-R250 PolarHBondContact O-N 3.04Å; A247-L251 PolarHBondContact O-N 3.27Å; A247-W252 HydrophobicContact CB-CB 4.18Å; A247-W252 HydrophobicContact CB-CD2 4.26Å; A247-W252 HydrophobicContact CB-CE3 3.59Å; A247-W252 HydrophobicContact CB-CZ3 4.32Å; A247-W252 PolarHBondContact O-N 3.43Å
248	T	98.5	Very high	97.6	Very high	40 Å²	40	58 Å²	58	25%	0.245	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-34.8	-177.8	-153.7	0	0	0	0	112	A244 R250 L251 D253 V256	A244-T248 WeakPolarHBondContact O-CB 3.48Å; A244-T248 PolarHBondContact O-N 2.64Å; T248-R250 PolarHBondContact O-N 3.06Å; T248-L251 PolarHBondContact O-N 3.35Å; T248-L251 VanDerWaalsContact O-N 3.08Å; T248-D253 WeakPolarHBondContact CA-OD1 3.48Å; T248-D253 WeakPolarHBondContact CB-OD1 3.36Å; T248-D253 PolarHBondContact N-OD2 2.88Å; T248-D253 PolarHBondContact OG1-OD1 2.95Å; T248-V256 HydrophobicContact CG2-CG2 3.94Å
249	A	98.5	Very high	97.8	Very high	71 Å²	71	57 Å²	57	59%	0.587	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.6	173.2	0	0	0	0	0	113.5	L245 A247	L245-A249 VanDerWaalsContact O-CB 3.23Å; L245-A249 WeakPolarHBondContact O-CB 3.06Å; L245-A249 PolarHBondContact O-N 3.01Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 3.26Å
250	R	98.6	Very high	98	Very high	113 Å²	113	53.5 Å²	53.5	43%	0.426	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	11.1	179.6	-69.1	165	179.1	69	4.3	113	Y246 A247 T248 W252	Y246-R250 VanDerWaalsContact CE1-NE 3.31Å; Y246-R250 PolarHBondContact O-NH1 3.21Å; Y246-R250 PolarHBondContact OH-NE 2.99Å; Y246-R250 PolarHBondContact OH-NH2 3.17Å; A247-R250 CarbonylContact O-C 3.54Å; A247-R250 WeakPolarHBondContact O-CA 3.23Å; A247-R250 PolarHBondContact O-N 3.04Å; T248-R250 PolarHBondContact O-N 3.06Å; R250-W252 HydrophobicContact CB-CD2 4.37Å; R250-W252 HydrophobicContact CB-CG 4.28Å; R250-W252 HydrophobicContact CB-CZ2 4.48Å; R250-W252 VanDerWaalsContact O-CD1 3.31Å; R250-W252 PolarHBondContact O-N 3.08Å
251	L	98.3	Very high	98	Very high	123 Å²	123	51.1 Å²	51.1	64%	0.644	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	31.2	179.6	-70	74.4	0	0	0	113.4	R180 A247 T248 D253	R180-L251 PolarHBondContact NE-O 2.93Å; R180-L251 PolarHBondContact NH2-O 3.31Å; A247-L251 PolarHBondContact O-N 3.27Å; T248-L251 PolarHBondContact O-N 3.35Å; T248-L251 VanDerWaalsContact O-N 3.08Å; L251-D253 CarbonylContact C-O 3.57Å; L251-D253 WeakPolarHBondContact CA-O 3.37Å; L251-D253 PolarHBondContact O-N 3.1Å
252	W	98.5	Very high	98.1	Very high	99 Å²	99	47.6 Å²	47.6	38%	0.375	25%	0.252	S	S	.	.	S	Bend	trans	-69.9	-25.1	169.8	-61.5	-3.9	0	0	0	111.3	R180 I195 Y246 A247 R250	R180-W252 VanDerWaalsContact CD-O 3.29Å; R180-W252 WeakPolarHBondContact CD-O 3.48Å; R180-W252 WeakPolarHBondContact CG-O 3.5Å; I195-W252 HydrophobicContact CG2-CE3 4.05Å; I195-W252 HydrophobicContact CG2-CZ3 4.32Å; Y246-W252 AromaticContact CD1-CH2 4Å; Y246-W252 HydrophobicContact CD1-CH2 4Å; Y246-W252 HydrophobicContact CD1-CZ3 4.18Å; Y246-W252 AromaticContact CE1-CH2 3.79Å; Y246-W252 HydrophobicContact CE1-CH2 3.79Å; Y246-W252 HydrophobicContact CE1-CZ2 4.32Å; Y246-W252 HydrophobicContact CE1-CZ3 4.43Å; A247-W252 HydrophobicContact CB-CB 4.18Å; A247-W252 HydrophobicContact CB-CD2 4.26Å; A247-W252 HydrophobicContact CB-CE3 3.59Å; A247-W252 HydrophobicContact CB-CZ3 4.32Å; A247-W252 PolarHBondContact O-N 3.43Å; R250-W252 HydrophobicContact CB-CD2 4.37Å; R250-W252 HydrophobicContact CB-CG 4.28Å; R250-W252 HydrophobicContact CB-CZ2 4.48Å; R250-W252 VanDerWaalsContact O-CD1 3.31Å; R250-W252 PolarHBondContact O-N 3.08Å
253	D	98.6	Very high	98.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	26%	0.256	C	S	.	.	S	Bend	trans	-124.5	169.5	167.6	57.8	73.5	0	0	0	110.5	L187 T189 T248 L251 G255	L187-D253 HydrophobicContact CD2-CB 3.4Å; T189-D253 VanDerWaalsContact OG1-CB 3.25Å; T189-D253 WeakPolarHBondContact OG1-CB 3.29Å; T189-D253 VanDerWaalsContact OG1-CG 3.31Å; T189-D253 PolarHBondContact OG1-OD2 3.07Å; T189-D253 VanDerWaalsContact OG1-OD2 3.11Å; T248-D253 WeakPolarHBondContact CA-OD1 3.48Å; T248-D253 WeakPolarHBondContact CB-OD1 3.36Å; T248-D253 PolarHBondContact N-OD2 2.88Å; T248-D253 PolarHBondContact OG1-OD1 2.95Å; L251-D253 CarbonylContact C-O 3.57Å; L251-D253 WeakPolarHBondContact CA-O 3.37Å; L251-D253 PolarHBondContact O-N 3.1Å; D253-G255 VanDerWaalsContact C-N 3.31Å; D253-G255 WeakPolarHBondContact OD1-CA 3.27Å; D253-G255 PolarHBondContact OD1-N 3Å
254	D	98.6	Very high	98.2	Very high	67 Å²	67	50.9 Å²	50.9	36%	0.358	26%	0.262	S	S	.	.	S	Bend	trans	-94.4	11.5	177.2	-55.1	-51.7	0	0	0	112	R180 F186 L187 F188	R180-D254 IonicContact CZ-OD1 2.75Å; R180-D254 VanDerWaalsContact CZ-OD1 3.27Å; R180-D254 VanDerWaalsContact NH1-CG 3.28Å; R180-D254 IonicContact NH1-OD1 3.63Å; R180-D254 PolarHBondContact NH1-OD1 3.32Å; R180-D254 IonicContact NH1-OD2 2.8Å; R180-D254 PolarHBondContact NH1-OD2 3.07Å; R180-D254 IonicContact NH2-OD1 2.72Å; R180-D254 PolarHBondContact NH2-OD1 3.31Å; F186-D254 VanDerWaalsContact CA-OD2 3.3Å; F186-D254 WeakPolarHBondContact CA-OD2 3.24Å; L187-D254 PolarHBondContact N-OD2 3.19Å; L187-D254 WeakPolarHBondContact O-CB 3.38Å; L187-D254 PolarHBondContact O-N 2.94Å; F188-D254 HydrophobicContact CD1-CB 4.41Å; F188-D254 HydrophobicContact CE1-CB 4.09Å
255	G	98.3	Very high	98.2	Very high	18 Å²	18	52 Å²	52	19%	0.186	27%	0.268	C	S	.	.			trans	141.5	146.5	175.4	0	0	0	0	0	113.7	T189 D253	T189-G255 PolarHBondContact N-O 3.16Å; T189-G255 VanDerWaalsContact N-O 3.15Å; D253-G255 VanDerWaalsContact C-N 3.31Å; D253-G255 WeakPolarHBondContact OD1-CA 3.27Å; D253-G255 PolarHBondContact OD1-N 3Å
256	V	98.6	Very high	98.2	Very high	50 Å²	50	46.7 Å²	46.7	30%	0.303	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-80.4	129.4	164.4	-178.5	0	0	0	0	109	T189 P191 A244 T248	T189-V256 CarbonylContact O-C 3.6Å; T189-V256 VanDerWaalsContact O-CA 3.24Å; T189-V256 WeakPolarHBondContact O-CA 3.33Å; P191-V256 HydrophobicContact CB-CG1 4.29Å; P191-V256 HydrophobicContact CG-CG1 3.93Å; A244-V256 HydrophobicContact CB-CG2 3.98Å; T248-V256 HydrophobicContact CG2-CG2 3.94Å
257	I	98.5	Very high	98.1	Very high	20 Å²	20	44.4 Å²	44.4	10%	0.103	23%	0.233	C	C	.	.			trans	-121.6	151.7	-178.7	67.1	173.7	0	0	0	111.5	L164 F188 T189 P191 V265	L164-I257 HydrophobicContact CD1-CD1 3.8Å; L164-I257 HydrophobicContact CD1-CG1 4.28Å; F188-I257 HydrophobicContact CB-CD1 3.96Å; F188-I257 HydrophobicContact CB-CG1 4.26Å; F188-I257 HydrophobicContact CB-CG2 4.39Å; F188-I257 HydrophobicContact CD1-CG2 3.98Å; F188-I257 HydrophobicContact CG-CD1 4.33Å; F188-I257 HydrophobicContact CG-CG2 4.34Å; T189-I257 PolarHBondContact O-N 3.32Å; P191-I257 WeakPolarHBondContact CD-O 3.4Å; I257-V265 HydrophobicContact CD1-CB 4.1Å; I257-V265 HydrophobicContact CD1-CG1 4.08Å; I257-V265 HydrophobicContact CD1-CG2 4.34Å; I257-V265 HydrophobicContact CG2-CG1 4.3Å; I257-V265 HydrophobicContact CG2-CG2 4.29Å
258	D	98	Very high	98	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	26%	0.259	S	S	.	.			trans	-61.8	130.9	168.4	-172.7	-33.3	0	0	0	109.5	Y43 A260 D261 S262	Y43-D258 WeakPolarHBondContact CE1-OD1 3.32Å; Y43-D258 VanDerWaalsContact OH-CG 3.26Å; Y43-D258 PolarHBondContact OH-OD1 3.41Å; Y43-D258 PolarHBondContact OH-OD2 3.14Å; D258-A260 PolarHBondContact O-N 2.81Å; D258-A260 WeakPolarHBondContact OD1-CB 3.3Å; D258-A260 PolarHBondContact OD1-N 2.83Å; D258-D261 HydrophobicContact CB-CB 4.15Å; D258-D261 WeakPolarHBondContact O-CA 3.42Å; D258-D261 WeakPolarHBondContact O-CB 3.31Å; D258-D261 PolarHBondContact O-N 3.17Å; D258-S262 PolarHBondContact O-N 3.38Å
259	P	97.9	Very high	97.9	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.091	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-46.7	-40.7	171.7	-30.5	35.8	0	0	0	114.1	L42 Y43 W190 D261 S262	L42-P259 HydrophobicContact CB-CB 4.25Å; L42-P259 VanDerWaalsContact CD1-O 3.32Å; L42-P259 WeakPolarHBondContact CD1-O 3.31Å; Y43-P259 HydrophobicContact CD1-CB 4.18Å; Y43-P259 HydrophobicContact CD1-CG 4.31Å; Y43-P259 HydrophobicContact CE1-CB 4.05Å; Y43-P259 HydrophobicContact CE1-CG 4.22Å; W190-P259 HydrophobicContact CD2-CB 3.92Å; W190-P259 HydrophobicContact CD2-CG 3.77Å; W190-P259 HydrophobicContact CE3-CB 4.08Å; W190-P259 HydrophobicContact CE3-CG 3.92Å; W190-P259 HydrophobicContact CG-CG 4.05Å; W190-P259 HydrophobicContact CH2-CB 3.97Å; W190-P259 HydrophobicContact CZ2-CB 3.8Å; W190-P259 HydrophobicContact CZ3-CB 4.06Å; W190-P259 HydrophobicContact CZ3-CG 4.34Å; P259-D261 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.91Å; P259-S262 VanDerWaalsContact O-CB 3.22Å; P259-S262 WeakPolarHBondContact O-CB 3.47Å; P259-S262 PolarHBondContact O-N 3.41Å; P259-S262 PolarHBondContact O-OG 3.47Å
260	A	97.4	Very high	97.7	Very high	18 Å²	18	44.5 Å²	44.5	15%	0.149	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-67.3	-25.2	178.6	0	0	0	0	0	113.3	V39 Y43 D258 S262	V39-A260 HydrophobicContact CG1-CB 4.12Å; V39-A260 WeakPolarHBondContact CG2-O 3.42Å; Y43-A260 HydrophobicContact CE1-CB 4.31Å; Y43-A260 HydrophobicContact CE2-CB 4.41Å; Y43-A260 WeakPolarHBondContact OH-CB 3.37Å; D258-A260 PolarHBondContact O-N 2.81Å; D258-A260 WeakPolarHBondContact OD1-CB 3.3Å; D258-A260 PolarHBondContact OD1-N 2.83Å; A260-S262 VanDerWaalsContact C-N 3.32Å
261	D	98.1	Very high	97.4	Very high	56 Å²	56	41 Å²	41	30%	0.299	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-82.6	-7.5	176.8	-88.8	-36	0	0	0	113.6	D258 P259 R263 R264 V265	D258-D261 HydrophobicContact CB-CB 4.15Å; D258-D261 WeakPolarHBondContact O-CA 3.42Å; D258-D261 WeakPolarHBondContact O-CB 3.31Å; D258-D261 PolarHBondContact O-N 3.17Å; P259-D261 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.91Å; D261-R263 VanDerWaalsContact C-N 3.31Å; D261-R263 PolarHBondContact O-N 3.25Å; D261-R264 PolarHBondContact O-N 3.11Å; D261-R264 IonicContact OD1-CZ 2.85Å; D261-R264 VanDerWaalsContact OD1-CZ 3.3Å; D261-R264 IonicContact OD1-NE 2.64Å; D261-R264 PolarHBondContact OD1-NE 3.32Å; D261-R264 IonicContact OD1-NH2 3.27Å; D261-R264 PolarHBondContact OD1-NH2 2.99Å; D261-R264 IonicContact OD2-NH2 3.25Å; D261-R264 PolarHBondContact OD2-NH2 3.19Å; D261-V265 HydrophobicContact CB-CG2 4.15Å; D261-V265 WeakPolarHBondContact O-CG2 3.43Å; D261-V265 PolarHBondContact O-N 3.46Å
262	S	98.3	Very high	97.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-50.4	-48.4	-174.1	-61.7	0	0	0	0	112.7	W190 D258 P259 A260 R264 L266	W190-S262 WeakPolarHBondContact CZ2-OG 3.47Å; W190-S262 PolarHBondContact NE1-OG 2.88Å; D258-S262 PolarHBondContact O-N 3.38Å; P259-S262 VanDerWaalsContact O-CB 3.22Å; P259-S262 WeakPolarHBondContact O-CB 3.47Å; P259-S262 PolarHBondContact O-N 3.41Å; P259-S262 PolarHBondContact O-OG 3.47Å; A260-S262 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 2.85Å; S262-L266 WeakPolarHBondContact O-CB 3.47Å; S262-L266 WeakPolarHBondContact O-CD1 3.49Å; S262-L266 WeakPolarHBondContact O-CG 3.48Å; S262-L266 PolarHBondContact O-N 2.95Å
263	R	98	Very high	96.8	Very high	22 Å²	22	34.3 Å²	34.3	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-51.3	179.2	172.9	170.7	173.5	93.2	-0.8	111	Q33 I63 V64 D65 L87 Y88 D261 G267	Q33-R263 PolarHBondContact O-NH2 3.33Å; I63-R263 HydrophobicContact CG2-CB 4.45Å; I63-R263 WeakPolarHBondContact O-CD 3.28Å; I63-R263 PolarHBondContact O-NH1 2.9Å; V64-R263 VanDerWaalsContact C-NH1 3.32Å; D65-R263 IonicContact OD1-CZ 3.49Å; D65-R263 IonicContact OD1-NH1 2.84Å; D65-R263 PolarHBondContact OD1-NH1 3.25Å; D65-R263 IonicContact OD1-NH2 3.68Å; D65-R263 PolarHBondContact OD1-NH2 3.1Å; L87-R263 HydrophobicContact CD1-CG 4.1Å; Y88-R263 HydrophobicContact CD2-CG 4.42Å; Y88-R263 HydrophobicContact CE2-CG 3.63Å; Y88-R263 VanDerWaalsContact CE2-O 3.31Å; Y88-R263 WeakPolarHBondContact CE2-O 3.46Å; D261-R263 VanDerWaalsContact C-N 3.31Å; D261-R263 PolarHBondContact O-N 3.25Å; R263-G267 PolarHBondContact O-N 3.15Å
264	R	97.3	Very high	96.3	Very high	121 Å²	121	34.2 Å²	34.2	46%	0.457	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-47.7	-176.6	-178	174.9	65.2	90.2	-5	111.6	D261 S262 G267 L268	D261-R264 PolarHBondContact O-N 3.11Å; D261-R264 IonicContact OD1-CZ 2.85Å; D261-R264 VanDerWaalsContact OD1-CZ 3.3Å; D261-R264 IonicContact OD1-NE 2.64Å; D261-R264 PolarHBondContact OD1-NE 3.32Å; D261-R264 IonicContact OD1-NH2 3.27Å; D261-R264 PolarHBondContact OD1-NH2 2.99Å; D261-R264 IonicContact OD2-NH2 3.25Å; D261-R264 PolarHBondContact OD2-NH2 3.19Å; S262-R264 PolarHBondContact O-N 2.85Å; R264-G267 PolarHBondContact O-N 3.41Å; R264-L268 HydrophobicContact CG-CD1 4.37Å; R264-L268 WeakPolarHBondContact O-CG 3.39Å; R264-L268 PolarHBondContact O-N 2.98Å
265	V	98.4	Very high	95.7	Very high	24 Å²	24	37.3 Å²	37.3	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-49.2	179.6	173	0	0	0	0	110.6	F188 I257 D261 G267 L268 A269	F188-V265 HydrophobicContact CD1-CG1 4.26Å; F188-V265 HydrophobicContact CD2-CG1 3.79Å; F188-V265 HydrophobicContact CE1-CG1 4Å; F188-V265 HydrophobicContact CE2-CG1 3.49Å; F188-V265 VanDerWaalsContact CE2-CG1 3.49Å; F188-V265 HydrophobicContact CG-CG1 4.17Å; F188-V265 HydrophobicContact CZ-CG1 3.6Å; I257-V265 HydrophobicContact CD1-CB 4.1Å; I257-V265 HydrophobicContact CD1-CG1 4.08Å; I257-V265 HydrophobicContact CD1-CG2 4.34Å; I257-V265 HydrophobicContact CG2-CG1 4.3Å; I257-V265 HydrophobicContact CG2-CG2 4.29Å; D261-V265 HydrophobicContact CB-CG2 4.15Å; D261-V265 WeakPolarHBondContact O-CG2 3.43Å; D261-V265 PolarHBondContact O-N 3.46Å; V265-G267 VanDerWaalsContact C-N 3.33Å; V265-G267 PolarHBondContact O-N 3.12Å; V265-L268 PolarHBondContact O-N 3.05Å; V265-A269 WeakPolarHBondContact O-CB 3.3Å; V265-A269 PolarHBondContact O-N 3.39Å
266	L	98.1	Very high	94.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-37.8	178.6	-68.2	173.4	0	0	0	111.9	I63 L87 L124 L162 L164 F188 S262 A269 L270	I63-L266 HydrophobicContact CG2-CD1 4.25Å; L87-L266 HydrophobicContact CD2-CB 3.66Å; L124-L266 HydrophobicContact CD1-CD1 3.93Å; L124-L266 HydrophobicContact CD1-CD2 3.81Å; L124-L266 HydrophobicContact CD2-CD1 3.92Å; L162-L266 HydrophobicContact CB-CD2 4.39Å; L162-L266 HydrophobicContact CD1-CD2 4.24Å; L164-L266 HydrophobicContact CD2-CD1 4.09Å; F188-L266 HydrophobicContact CD2-CD2 4.41Å; S262-L266 WeakPolarHBondContact O-CB 3.47Å; S262-L266 WeakPolarHBondContact O-CD1 3.49Å; S262-L266 WeakPolarHBondContact O-CG 3.48Å; S262-L266 PolarHBondContact O-N 2.95Å; L266-A269 PolarHBondContact O-N 3.23Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 PolarHBondContact O-N 3.44Å
267	G	96.1	Very high	93.9	Very high	6 Å²	6	41.9 Å²	41.9	6%	0.062	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-45	175.1	0	0	0	0	0	113	R263 R264 V265 S271	R263-G267 PolarHBondContact O-N 3.15Å; R264-G267 PolarHBondContact O-N 3.41Å; V265-G267 VanDerWaalsContact C-N 3.33Å; V265-G267 PolarHBondContact O-N 3.12Å; G267-S271 WeakPolarHBondContact O-CB 3.35Å; G267-S271 PolarHBondContact O-N 3.4Å
268	L	95.8	Very high	93	Very high	105 Å²	105	44.1 Å²	44.1	55%	0.55	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-48.8	175.2	-74.6	167.5	0	0	0	111.4	R264 V265 L270 S271 V272	R264-L268 HydrophobicContact CG-CD1 4.37Å; R264-L268 WeakPolarHBondContact O-CG 3.39Å; R264-L268 PolarHBondContact O-N 2.98Å; V265-L268 PolarHBondContact O-N 3.05Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.25Å; L268-S271 WeakPolarHBondContact O-CB 3.38Å; L268-S271 PolarHBondContact O-N 2.78Å; L268-S271 VanDerWaalsContact O-N 3.17Å; L268-S271 PolarHBondContact O-OG 3.3Å; L268-V272 PolarHBondContact O-N 2.86Å
269	A	96.9	Very high	92.3	Very high	7 Å²	7	46.5 Å²	46.5	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-45.7	177.5	0	0	0	0	0	111.4	L162 F186 F188 V265 L266 S271 V272 A273	L162-A269 HydrophobicContact CD1-CB 4.29Å; L162-A269 HydrophobicContact CD2-CB 4.06Å; F186-A269 HydrophobicContact CB-CB 4.28Å; F186-A269 HydrophobicContact CD2-CB 3.56Å; F186-A269 HydrophobicContact CE2-CB 4.07Å; F186-A269 HydrophobicContact CG-CB 3.97Å; F188-A269 HydrophobicContact CE2-CB 4.08Å; V265-A269 WeakPolarHBondContact O-CB 3.3Å; V265-A269 PolarHBondContact O-N 3.39Å; L266-A269 PolarHBondContact O-N 3.23Å; A269-S271 PolarHBondContact O-N 3.46Å; A269-V272 PolarHBondContact O-N 3.44Å; A269-A273 WeakPolarHBondContact O-CB 3.49Å; A269-A273 PolarHBondContact O-N 2.97Å
270	L	93.9	Very high	91.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-43.6	177.2	-171.2	62.1	0	0	0	111.5	L87 I90 V92 P122 L162 L266 L268 V272 A273 V274	L87-L270 HydrophobicContact CB-CD2 4.2Å; L87-L270 HydrophobicContact CD2-CD2 4.2Å; L87-L270 HydrophobicContact CG-CD2 4.46Å; I90-L270 HydrophobicContact CB-CD2 3.72Å; I90-L270 HydrophobicContact CB-CG 4.43Å; I90-L270 HydrophobicContact CD1-CB 4.47Å; I90-L270 HydrophobicContact CD1-CD2 3.85Å; I90-L270 HydrophobicContact CD1-CG 3.79Å; I90-L270 HydrophobicContact CG1-CD2 4.38Å; I90-L270 HydrophobicContact CG2-CD2 3.73Å; I90-L270 HydrophobicContact CG2-CG 4.15Å; V92-L270 HydrophobicContact CG1-CD1 4.37Å; V92-L270 HydrophobicContact CG1-CD2 3.43Å; V92-L270 VanDerWaalsContact CG1-CD2 3.43Å; P122-L270 HydrophobicContact CB-CD1 3.59Å; P122-L270 HydrophobicContact CG-CD1 3.92Å; L162-L270 HydrophobicContact CD1-CB 3.93Å; L162-L270 HydrophobicContact CD1-CD1 4.15Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 PolarHBondContact O-N 3.44Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.25Å; L270-V272 PolarHBondContact O-N 3.17Å; L270-V272 VanDerWaalsContact O-N 3.16Å; L270-A273 PolarHBondContact O-N 3.38Å; L270-A273 VanDerWaalsContact O-N 3.17Å; L270-V274 HydrophobicContact CD1-CG1 3.85Å; L270-V274 HydrophobicContact CG-CG1 4.18Å; L270-V274 WeakPolarHBondContact O-CG1 3.39Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.43Å
271	S	91.1	Very high	91.7	Very high	41 Å²	41	52.1 Å²	52.1	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-26.6	178.3	82.8	0	0	0	0	113.5	G267 L268 A269 K275	G267-S271 WeakPolarHBondContact O-CB 3.35Å; G267-S271 PolarHBondContact O-N 3.4Å; L268-S271 WeakPolarHBondContact O-CB 3.38Å; L268-S271 PolarHBondContact O-N 2.78Å; L268-S271 VanDerWaalsContact O-N 3.17Å; L268-S271 PolarHBondContact O-OG 3.3Å; A269-S271 PolarHBondContact O-N 3.46Å; S271-K275 VanDerWaalsContact O-CE 3.24Å; S271-K275 WeakPolarHBondContact O-CE 2.92Å; S271-K275 WeakPolarHBondContact O-CG 3.37Å
272	V	91.9	Very high	91.6	Very high	78 Å²	78	55.7 Å²	55.7	47%	0.473	30%	0.296	S	S	.	.	H	α-helix	trans	-85	-47.5	175	176.6	0	0	0	0	110	F186 L268 A269 L270 V274 K275	F186-V272 HydrophobicContact CE2-CB 4.42Å; F186-V272 HydrophobicContact CE2-CG1 4.48Å; F186-V272 HydrophobicContact CZ-CG1 4.41Å; L268-V272 PolarHBondContact O-N 2.86Å; A269-V272 PolarHBondContact O-N 3.44Å; L270-V272 PolarHBondContact O-N 3.17Å; L270-V272 VanDerWaalsContact O-N 3.16Å; V272-V274 VanDerWaalsContact C-N 3.26Å; V272-V274 PolarHBondContact O-N 2.74Å; V272-K275 WeakPolarHBondContact O-CB 2.99Å; V272-K275 PolarHBondContact O-N 3.24Å
273	A	92.5	Very high	91.5	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-32.1	-175.2	0	0	0	0	0	112.9	P160 H185 A269 L270 K275	P160-A273 HydrophobicContact CB-CB 3.88Å; H185-A273 HydrophobicContact CB-CB 3.91Å; A269-A273 WeakPolarHBondContact O-CB 3.49Å; A269-A273 PolarHBondContact O-N 2.97Å; L270-A273 PolarHBondContact O-N 3.38Å; L270-A273 VanDerWaalsContact O-N 3.17Å; A273-K275 VanDerWaalsContact C-N 3.3Å; A273-K275 PolarHBondContact O-N 2.86Å
274	V	89.2	Confident	91.4	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.012	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.1	177	-57.3	0	0	0	0	114.2	F26 I90 P122 P160 L270 V272	F26-V274 HydrophobicContact CD2-CB 3.84Å; F26-V274 HydrophobicContact CE1-CG1 4.37Å; F26-V274 HydrophobicContact CE2-CB 3.57Å; F26-V274 HydrophobicContact CE2-CG1 4.28Å; F26-V274 WeakPolarHBondContact CE2-O 3.39Å; F26-V274 HydrophobicContact CG-CB 4.44Å; F26-V274 HydrophobicContact CZ-CB 3.94Å; F26-V274 HydrophobicContact CZ-CG1 4.17Å; I90-V274 HydrophobicContact CD1-CG2 4.21Å; I90-V274 HydrophobicContact CG2-CG1 4.41Å; P122-V274 HydrophobicContact CG-CG1 3.73Å; P160-V274 HydrophobicContact CG-CG1 4.31Å; L270-V274 HydrophobicContact CD1-CG1 3.85Å; L270-V274 HydrophobicContact CG-CG1 4.18Å; L270-V274 WeakPolarHBondContact O-CG1 3.39Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 3.43Å; V272-V274 VanDerWaalsContact C-N 3.26Å; V272-V274 PolarHBondContact O-N 2.74Å
275	K	84.5	Confident	91.5	Very high	132 Å²	132	59.7 Å²	59.7	57%	0.574	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-21.6	176.5	-71.5	177.3	-178.6	174.4	0	113	S22 V24 S271 V272 A273	S22-K275 PolarHBondContact OG-O 3.39Å; S22-K275 VanDerWaalsContact OG-O 3.12Å; V24-K275 WeakPolarHBondContact CG2-O 3.38Å; S271-K275 VanDerWaalsContact O-CE 3.24Å; S271-K275 WeakPolarHBondContact O-CE 2.92Å; S271-K275 WeakPolarHBondContact O-CG 3.37Å; V272-K275 WeakPolarHBondContact O-CB 2.99Å; V272-K275 PolarHBondContact O-N 3.24Å; A273-K275 VanDerWaalsContact C-N 3.3Å; A273-K275 PolarHBondContact O-N 2.86Å
276	S	80.3	Confident	91.4	Very high	62 Å²	62	60.8 Å²	60.8	43%	0.434	34%	0.341	S	S	.	.	S	Bend	trans	-66.8	143.7	177	-64	0	0	0	0	110.7	S278	S276-S278 PolarHBondContact O-N 2.91Å
277	P	79.2	Confident	91.4	Very high	102 Å²	102	69.2 Å²	69.2	66%	0.662	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-54.3	135.6	175.3	-23.5	32.3	0	0	0	111.4	Q279	P277-Q279 PolarHBondContact O-N 2.79Å
278	S	79.4	Confident	91.3	Very high	68 Å²	68	77.1 Å²	77.1	48%	0.476	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-55.6	125.5	173.3	170.8	0	0	0	0	110.3	N120 S276	N120-S278 WeakPolarHBondContact ND2-CB 3.37Å; N120-S278 PolarHBondContact ND2-OG 3.17Å; N120-S278 PolarHBondContact OD1-OG 2.91Å; S276-S278 PolarHBondContact O-N 2.91Å
279	Q	84.9	Confident	91.1	Very high	114 Å²	114	75.8 Å²	75.8	53%	0.533	40%	0.404	S	S	.	.			trans	-105	140.2	175.1	-70.7	-176.7	8.1	0	0	110.4	K158 P277 S281	K158-Q279 HydrophobicContact CB-CB 3.7Å; K158-Q279 HydrophobicContact CG-CB 4.33Å; P277-Q279 PolarHBondContact O-N 2.79Å; Q279-S281 PolarHBondContact O-N 3.26Å
280	H	87.7	Confident	90.8	Very high	140 Å²	140	79.4 Å²	79.4	65%	0.648	42%	0.422	S	S	*	.			trans	-71.6	130.2	174.3	-165.9	65.6	0	0	0	110.3
281	S	93.2	Very high	90.6	Very high	10 Å²	10	83.7 Å²	83.7	7%	0.07	45%	0.445	C	S	.	.			trans	-82.9	117.6	175.4	-59.4	0	0	0	0	109.7	K158 Q279	K158-S281 PolarHBondContact N-OG 3.47Å; Q279-S281 PolarHBondContact O-N 3.26Å
282	I	96	Very high	90.6	Very high	132 Å²	132	86.2 Å²	86.2	68%	0.677	45%	0.454	S	S	*	.			trans	-106	114.6	172.8	-58.6	174.2	0	0	0	107.2	C156	C156-I282 WeakPolarHBondContact CB-O 3.42Å
283	F	97.1	Very high	90.5	Very high	60 Å²	60	86.7 Å²	86.7	26%	0.263	45%	0.453	S	S	.	.			trans	-82.9	142.7	179.2	-62.6	-78.7	0	0	0	111.1	Q114 A153 C156 F286	Q114-F283 HydrophobicContact CB-CZ 4.42Å; Q114-F283 HydrophobicContact CG-CE1 4.29Å; Q114-F283 HydrophobicContact CG-CE2 4.06Å; Q114-F283 HydrophobicContact CG-CZ 3.86Å; A153-F283 HydrophobicContact CB-CE1 4.29Å; C156-F283 HydrophobicContact CB-CB 4.45Å; C156-F283 HydrophobicContact CB-CD1 3.58Å; C156-F283 HydrophobicContact CB-CE1 4.15Å; C156-F283 HydrophobicContact CB-CG 4.28Å; F283-F286 HydrophobicContact CB-CE2 3.64Å; F283-F286 HydrophobicContact CB-CZ 4.1Å; F283-F286 HydrophobicContact CD1-CE2 4.23Å; F283-F286 AromaticContact CD1-CZ 3.85Å; F283-F286 HydrophobicContact CD1-CZ 3.85Å; F283-F286 AromaticContact CG-CE2 3.93Å; F283-F286 HydrophobicContact CG-CE2 3.93Å; F283-F286 HydrophobicContact CG-CZ 4.03Å
284	G	96.6	Very high	90.4	Very high	36 Å²	36	92.3 Å²	92.3	37%	0.371	48%	0.482	S	S	.	.			trans	-72.1	-169.5	166.6	0	0	0	0	0	112.2	M152 C156 F286	M152-G284 VanDerWaalsContact SD-CA 3.59Å; C156-G284 PolarHBondContact SG-N 3.21Å; C156-G284 VanDerWaalsContact SG-N 3.44Å; G284-F286 PolarHBondContact O-N 2.85Å
285	V	97.8	Very high	90.5	Very high	130 Å²	130	98.8 Å²	98.8	79%	0.788	52%	0.516	S	S	*	.			trans	-71.5	120.7	-178.7	-178.9	0	0	0	0	110.7	M152	M152-V285 WeakPolarHBondContact CE-O 3.34Å
286	F	98	Very high	91	Very high	47 Å²	47	96.2 Å²	96.2	21%	0.206	51%	0.511	C	S	.	.			trans	-79.4	121.8	168.2	-71.5	-78.8	0	0	0	110.4	Q114 K149 M152 A153 F283 G284 M288	Q114-F286 HydrophobicContact CG-CZ 4.45Å; K149-F286 HydrophobicContact CB-CD1 3.96Å; K149-F286 HydrophobicContact CB-CE1 4.4Å; K149-F286 HydrophobicContact CG-CD1 4.03Å; K149-F286 WeakPolarHBondContact O-CE1 3.15Å; M152-F286 HydrophobicContact CB-CD1 4.21Å; M152-F286 HydrophobicContact CB-CE1 3.97Å; M152-F286 HydrophobicContact CG-CD1 4.01Å; M152-F286 HydrophobicContact CG-CE1 3.8Å; M152-F286 HydrophobicContact CG-CZ 4.13Å; A153-F286 HydrophobicContact CB-CE1 4.3Å; A153-F286 HydrophobicContact CB-CZ 4.38Å; F283-F286 HydrophobicContact CB-CE2 3.64Å; F283-F286 HydrophobicContact CB-CZ 4.1Å; F283-F286 HydrophobicContact CD1-CE2 4.23Å; F283-F286 AromaticContact CD1-CZ 3.85Å; F283-F286 HydrophobicContact CD1-CZ 3.85Å; F283-F286 AromaticContact CG-CE2 3.93Å; F283-F286 HydrophobicContact CG-CE2 3.93Å; F283-F286 HydrophobicContact CG-CZ 4.03Å; G284-F286 PolarHBondContact O-N 2.85Å; F286-M288 HydrophobicContact CB-SD 4.12Å; F286-M288 PolarHBondContact O-N 2.93Å
287	R	96.8	Very high	91.9	Very high	178 Å²	178	99.1 Å²	99.1	67%	0.672	52%	0.518	S	S	*	.			trans	-73.3	103.1	169.2	177.9	-180	-64.5	-77	-1.7	109.1	K145 K149	K145-R287 HydrophobicContact CB-CG 3.92Å; K149-R287 WeakPolarHBondContact CE-O 3.46Å; K149-R287 PolarHBondContact NZ-O 3.38Å
288	M	95.6	Very high	93	Very high	172 Å²	172	98.8 Å²	98.8	85%	0.847	51%	0.505	S	S	*	.			trans	-71.2	0	-176.2	-61	-58.4	-103.3	0	0	113.5	K145 K149 F286	K145-M288 PolarHBondContact NZ-O 3.14Å; K145-M288 VanDerWaalsContact NZ-O 3.11Å; K145-M288 PolarHBondContact NZ-OXT 3.15Å; K149-M288 WeakPolarHBondContact CE-OXT 3.4Å; K149-M288 PolarHBondContact NZ-OXT 3.49Å; F286-M288 HydrophobicContact CB-SD 4.12Å; F286-M288 PolarHBondContact O-N 2.93Å

Retrieved 288 of 288 residues in 57.7 ms (Link to these results)

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